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 1ybg_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 D N 4.048 124.416 120.400 -0.053 0.000 2.406 2 D HA 0.415 5.055 4.640 -0.000 0.000 0.234 2 D C -0.181 176.030 176.300 -0.148 0.000 1.196 2 D CA 1.019 54.958 54.000 -0.101 0.000 0.881 2 D CB 0.607 41.325 40.800 -0.137 0.000 1.205 2 D HN 0.638 nan 8.370 nan 0.000 0.453 3 K N -0.416 119.861 120.400 -0.205 0.000 2.607 3 K HA 0.463 4.783 4.320 -0.000 0.000 0.287 3 K C -1.450 175.038 176.600 -0.187 0.000 0.996 3 K CA -0.887 55.268 56.287 -0.220 0.000 0.876 3 K CB 0.945 33.403 32.500 -0.070 0.000 1.496 3 K HN 0.245 nan 8.250 nan 0.000 0.415 4 F N 0.926 120.876 119.950 -0.001 0.000 2.427 4 F HA 0.456 4.983 4.527 -0.000 0.000 0.346 4 F C 0.412 176.209 175.800 -0.006 0.000 1.120 4 F CA -1.034 56.963 58.000 -0.006 0.000 1.033 4 F CB 2.126 41.115 39.000 -0.017 0.000 1.126 4 F HN 0.285 nan 8.300 nan 0.000 0.462 5 R N 3.257 123.887 120.500 0.217 0.000 2.338 5 R HA 0.693 5.033 4.340 -0.000 0.000 0.317 5 R C -1.643 174.698 176.300 0.068 0.000 0.968 5 R CA -0.498 55.666 56.100 0.107 0.000 0.849 5 R CB 1.560 31.905 30.300 0.075 0.000 1.128 5 R HN 0.518 nan 8.270 nan 0.000 0.448 6 V N 4.224 124.161 119.914 0.038 0.000 2.680 6 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 6 V C -0.693 175.401 176.094 -0.001 0.000 1.052 6 V CA -0.979 61.321 62.300 -0.001 0.000 0.908 6 V CB 1.999 33.811 31.823 -0.018 0.000 1.001 6 V HN 0.690 nan 8.190 nan 0.000 0.431 7 Q N 2.550 122.344 119.800 -0.010 0.000 2.322 7 Q HA 0.685 5.025 4.340 -0.000 0.000 0.265 7 Q C 0.078 176.070 176.000 -0.013 0.000 0.985 7 Q CA -0.164 55.634 55.803 -0.007 0.000 0.849 7 Q CB 2.339 31.074 28.738 -0.005 0.000 1.274 7 Q HN 0.978 nan 8.270 nan 0.000 0.449 8 G N 2.382 111.175 108.800 -0.012 0.000 2.816 8 G HA2 0.774 4.734 3.960 -0.000 0.000 0.288 8 G HA3 0.774 4.734 3.960 -0.000 0.000 0.288 8 G C -2.769 172.124 174.900 -0.011 0.000 1.334 8 G CA -1.340 43.751 45.100 -0.015 0.000 0.978 8 G HN 0.328 nan 8.290 nan 0.000 0.493 9 P HA 0.399 nan 4.420 nan 0.000 0.290 9 P C -0.751 176.540 177.300 -0.014 0.000 1.275 9 P CA -0.175 62.917 63.100 -0.014 0.000 0.841 9 P CB 1.794 33.486 31.700 -0.013 0.000 1.042 10 T N -0.927 113.617 114.554 -0.017 0.000 2.912 10 T HA 0.459 4.809 4.350 -0.000 0.000 0.299 10 T C -0.353 174.338 174.700 -0.015 0.000 1.052 10 T CA -1.052 61.039 62.100 -0.015 0.000 0.996 10 T CB 1.668 70.525 68.868 -0.018 0.000 1.070 10 T HN 0.429 nan 8.240 nan 0.000 0.465 11 R N 2.734 123.227 120.500 -0.012 0.000 2.216 11 R HA 0.457 4.797 4.340 -0.000 0.000 0.332 11 R C -0.604 175.690 176.300 -0.010 0.000 1.056 11 R CA -0.680 55.414 56.100 -0.011 0.000 0.901 11 R CB 0.011 30.305 30.300 -0.010 0.000 1.039 11 R HN 0.682 nan 8.270 nan 0.000 0.456 12 L N 6.388 127.607 121.223 -0.006 0.000 2.315 12 L HA 0.199 4.539 4.340 -0.000 0.000 0.283 12 L C 0.095 176.968 176.870 0.005 0.000 1.089 12 L CA 0.107 54.950 54.840 0.005 0.000 0.833 12 L CB 0.650 42.721 42.059 0.021 0.000 1.170 12 L HN 0.741 nan 8.230 nan 0.000 0.442 13 Q N 3.044 122.843 119.800 -0.002 0.000 2.482 13 Q HA 0.818 5.158 4.340 -0.000 0.000 0.286 13 Q C -0.371 175.616 176.000 -0.022 0.000 1.007 13 Q CA -0.410 55.386 55.803 -0.012 0.000 0.801 13 Q CB 2.895 31.622 28.738 -0.019 0.000 1.455 13 Q HN 0.636 nan 8.270 nan 0.000 0.398 14 G N 1.036 109.817 108.800 -0.032 0.000 2.204 14 G HA2 0.015 3.974 3.960 -0.000 0.000 0.153 14 G HA3 0.015 3.974 3.960 -0.000 0.000 0.153 14 G C -1.476 173.389 174.900 -0.059 0.000 1.295 14 G CA -0.281 44.791 45.100 -0.047 0.000 1.257 14 G HN 0.681 nan 8.290 nan 0.000 0.495 15 E N -1.303 118.851 120.200 -0.077 0.000 2.393 15 E HA 0.636 4.986 4.350 -0.000 0.000 0.273 15 E C -1.518 174.994 176.600 -0.147 0.000 0.918 15 E CA -0.811 55.532 56.400 -0.096 0.000 0.773 15 E CB 3.147 32.791 29.700 -0.093 0.000 1.275 15 E HN 1.009 nan 8.360 nan 0.000 0.451 16 V N 0.742 120.546 119.914 -0.183 0.000 2.932 16 V HA 0.396 4.516 4.120 -0.000 0.000 0.307 16 V C -1.436 174.531 176.094 -0.212 0.000 1.147 16 V CA -0.257 61.858 62.300 -0.308 0.000 0.951 16 V CB 2.392 33.811 31.823 -0.673 0.000 1.031 16 V HN 0.721 nan 8.190 nan 0.000 0.426 17 T N 7.803 122.248 114.554 -0.183 0.000 2.743 17 T HA 0.515 4.865 4.350 -0.000 0.000 0.292 17 T C -0.098 174.550 174.700 -0.086 0.000 0.972 17 T CA -0.257 61.785 62.100 -0.097 0.000 0.967 17 T CB 0.521 69.351 68.868 -0.064 0.000 0.926 17 T HN 0.483 nan 8.240 nan 0.000 0.459 18 I N 3.429 123.975 120.570 -0.039 0.000 2.556 18 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 18 I C 1.160 177.282 176.117 0.008 0.000 1.114 18 I CA 0.141 61.447 61.300 0.010 0.000 1.418 18 I CB 0.201 38.225 38.000 0.040 0.000 1.394 18 I HN 0.570 nan 8.210 nan 0.000 0.552 19 S N 4.263 119.975 115.700 0.020 0.000 2.655 19 S HA 0.509 4.979 4.470 -0.000 0.000 0.265 19 S C 0.639 175.233 174.600 -0.010 0.000 1.240 19 S CA -0.620 57.582 58.200 0.004 0.000 0.986 19 S CB 1.214 64.423 63.200 0.015 0.000 0.985 19 S HN 0.836 nan 8.310 nan 0.000 0.562 20 G N 0.041 108.828 108.800 -0.022 0.000 2.491 20 G HA2 0.461 4.421 3.960 -0.000 0.000 0.242 20 G HA3 0.461 4.421 3.960 -0.000 0.000 0.242 20 G C -0.160 174.719 174.900 -0.034 0.000 1.266 20 G CA -0.457 44.624 45.100 -0.031 0.000 0.844 20 G HN 0.879 nan 8.290 nan 0.000 0.571 21 A N 1.583 124.381 122.820 -0.037 0.000 2.451 21 A HA 0.315 4.635 4.320 -0.000 0.000 0.266 21 A C 1.582 179.146 177.584 -0.033 0.000 1.119 21 A CA 0.038 52.048 52.037 -0.045 0.000 0.786 21 A CB 0.317 19.290 19.000 -0.044 0.000 1.061 21 A HN 0.910 nan 8.150 nan 0.000 0.503 22 K N 2.553 122.934 120.400 -0.030 0.000 2.209 22 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 22 K C 0.457 177.075 176.600 0.031 0.000 1.048 22 K CA 1.803 58.089 56.287 -0.001 0.000 0.940 22 K CB -0.128 32.374 32.500 0.005 0.000 0.729 22 K HN 0.621 nan 8.250 nan 0.000 0.451 23 N N 0.836 119.549 118.700 0.021 0.000 2.453 23 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 23 N C 1.325 176.852 175.510 0.029 0.000 1.041 23 N CA 1.237 54.322 53.050 0.058 0.000 0.900 23 N CB 0.130 38.635 38.487 0.031 0.000 0.961 23 N HN 0.456 nan 8.380 nan 0.000 0.443 24 A N -0.061 122.750 122.820 -0.016 0.000 2.055 24 A HA 0.470 4.790 4.320 -0.000 0.000 0.205 24 A C 2.178 179.710 177.584 -0.087 0.000 1.235 24 A CA 0.708 52.710 52.037 -0.058 0.000 0.822 24 A CB -0.340 18.634 19.000 -0.042 0.000 0.903 24 A HN 0.185 nan 8.150 nan 0.000 0.473 25 A N 0.507 123.292 122.820 -0.058 0.000 1.877 25 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 25 A C 2.114 179.660 177.584 -0.063 0.000 1.186 25 A CA 1.533 53.518 52.037 -0.086 0.000 0.620 25 A CB -0.710 18.254 19.000 -0.059 0.000 0.822 25 A HN 0.446 nan 8.150 nan 0.000 0.443 26 L N -0.004 121.251 121.223 0.054 0.000 1.970 26 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 26 L C -0.171 176.831 176.870 0.220 0.000 1.071 26 L CA 2.000 56.976 54.840 0.227 0.000 0.751 26 L CB -1.591 40.730 42.059 0.437 0.000 0.889 26 L HN 0.302 nan 8.230 nan 0.000 0.432 27 P HA -0.189 nan 4.420 nan 0.000 0.218 27 P C 1.786 178.908 177.300 -0.296 0.000 1.148 27 P CA 1.700 64.468 63.100 -0.555 0.000 0.822 27 P CB 0.031 31.158 31.700 -0.955 0.000 0.784 28 I N -0.767 119.621 120.570 -0.304 0.000 2.233 28 I HA -0.186 3.983 4.170 -0.000 0.000 0.243 28 I C 2.683 178.528 176.117 -0.454 0.000 1.093 28 I CA 0.962 61.946 61.300 -0.527 0.000 1.380 28 I CB -0.574 36.987 38.000 -0.731 0.000 1.067 28 I HN -0.164 nan 8.210 nan 0.000 0.413 29 L N -0.275 120.769 121.223 -0.297 0.000 2.012 29 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 29 L C 2.477 179.221 176.870 -0.211 0.000 1.073 29 L CA 1.737 56.414 54.840 -0.271 0.000 0.748 29 L CB -0.589 41.291 42.059 -0.298 0.000 0.891 29 L HN 0.149 nan 8.230 nan 0.000 0.431 30 F N -0.525 119.418 119.950 -0.012 0.000 2.206 30 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 30 F C 2.566 178.398 175.800 0.053 0.000 1.090 30 F CA 0.916 58.956 58.000 0.067 0.000 1.323 30 F CB -0.546 38.550 39.000 0.160 0.000 1.028 30 F HN 0.005 nan 8.300 nan 0.000 0.492 31 A N 0.208 123.124 122.820 0.160 0.000 1.972 31 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 31 A C 2.364 180.097 177.584 0.248 0.000 1.169 31 A CA 1.515 53.653 52.037 0.169 0.000 0.635 31 A CB -1.222 17.881 19.000 0.172 0.000 0.810 31 A HN 0.302 nan 8.150 nan 0.000 0.446 32 A N -0.265 122.688 122.820 0.223 0.000 2.139 32 A HA -0.074 4.246 4.320 -0.000 0.000 0.221 32 A C 1.990 179.679 177.584 0.176 0.000 1.159 32 A CA 1.362 53.550 52.037 0.251 0.000 0.662 32 A CB -0.638 18.446 19.000 0.141 0.000 0.796 32 A HN 0.518 nan 8.150 nan 0.000 0.463 33 L N -0.944 120.384 121.223 0.174 0.000 2.261 33 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 33 L C 2.132 179.114 176.870 0.187 0.000 1.114 33 L CA 0.841 55.807 54.840 0.210 0.000 0.777 33 L CB -0.369 41.847 42.059 0.262 0.000 0.910 33 L HN 0.432 nan 8.230 nan 0.000 0.440 34 L N -0.564 120.730 121.223 0.118 0.000 2.341 34 L HA 0.080 4.420 4.340 -0.000 0.000 0.214 34 L C 1.394 178.267 176.870 0.004 0.000 1.115 34 L CA -0.328 54.528 54.840 0.025 0.000 0.820 34 L CB -0.424 41.633 42.059 -0.003 0.000 0.944 34 L HN 0.106 nan 8.230 nan 0.000 0.452 35 A N 0.418 123.267 122.820 0.048 0.000 2.491 35 A HA 0.037 4.357 4.320 -0.000 0.000 0.261 35 A C 1.095 178.707 177.584 0.046 0.000 1.101 35 A CA -0.086 51.967 52.037 0.028 0.000 0.772 35 A CB 0.175 19.212 19.000 0.061 0.000 1.043 35 A HN 0.315 nan 8.150 nan 0.000 0.501 36 E N 1.399 121.609 120.200 0.016 0.000 2.299 36 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 36 E C 0.160 176.788 176.600 0.047 0.000 0.998 36 E CA 0.746 57.165 56.400 0.032 0.000 0.851 36 E CB 0.257 29.959 29.700 0.002 0.000 0.795 36 E HN 0.877 nan 8.360 nan 0.000 0.492 37 E N -0.025 120.198 120.200 0.039 0.000 2.281 37 E HA 0.293 4.643 4.350 -0.000 0.000 0.262 37 E C -2.621 174.019 176.600 0.067 0.000 0.933 37 E CA -2.484 53.945 56.400 0.048 0.000 0.809 37 E CB 1.459 31.179 29.700 0.033 0.000 1.242 37 E HN -0.157 nan 8.360 nan 0.000 0.418 38 P HA -0.027 nan 4.420 nan 0.000 0.264 38 P C -1.147 176.226 177.300 0.122 0.000 1.183 38 P CA 0.219 63.386 63.100 0.112 0.000 0.763 38 P CB 0.451 32.223 31.700 0.121 0.000 0.807 39 V N 2.983 122.983 119.914 0.143 0.000 2.656 39 V HA 0.332 4.452 4.120 -0.000 0.000 0.307 39 V C -0.013 176.145 176.094 0.107 0.000 1.051 39 V CA -0.512 61.874 62.300 0.143 0.000 0.893 39 V CB 2.030 33.966 31.823 0.189 0.000 0.999 39 V HN 0.478 nan 8.190 nan 0.000 0.426 40 E N 4.209 124.436 120.200 0.045 0.000 2.114 40 E HA 0.498 4.848 4.350 -0.000 0.000 0.266 40 E C -1.355 175.148 176.600 -0.163 0.000 0.896 40 E CA -0.519 55.755 56.400 -0.210 0.000 0.750 40 E CB 1.321 30.892 29.700 -0.214 0.000 1.121 40 E HN 0.627 nan 8.360 nan 0.000 0.413 41 I N 5.003 125.428 120.570 -0.242 0.000 2.306 41 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 41 I C 0.235 176.201 176.117 -0.251 0.000 1.036 41 I CA -0.429 60.776 61.300 -0.160 0.000 1.221 41 I CB 1.142 39.032 38.000 -0.184 0.000 1.385 41 I HN 0.352 nan 8.210 nan 0.000 0.472 42 Q N 4.456 124.143 119.800 -0.189 0.000 2.221 42 Q HA 0.309 4.649 4.340 -0.000 0.000 0.242 42 Q C 0.184 176.100 176.000 -0.140 0.000 0.940 42 Q CA -0.772 54.910 55.803 -0.202 0.000 0.896 42 Q CB 0.758 29.398 28.738 -0.163 0.000 1.226 42 Q HN 0.543 nan 8.270 nan 0.000 0.463 43 N N -0.297 118.328 118.700 -0.124 0.000 2.771 43 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 43 N C -1.962 173.502 175.510 -0.077 0.000 1.069 43 N CA 0.212 53.212 53.050 -0.084 0.000 0.688 43 N CB -0.907 37.535 38.487 -0.076 0.000 0.928 43 N HN 0.354 nan 8.380 nan 0.000 0.551 44 V N 2.112 121.974 119.914 -0.086 0.000 2.370 44 V HA 0.517 4.637 4.120 -0.000 0.000 0.283 44 V C -1.427 174.642 176.094 -0.042 0.000 1.023 44 V CA -1.190 61.067 62.300 -0.072 0.000 0.857 44 V CB 1.547 33.313 31.823 -0.095 0.000 0.985 44 V HN 0.222 nan 8.190 nan 0.000 0.443 45 P HA 0.188 nan 4.420 nan 0.000 0.272 45 P C -0.829 176.473 177.300 0.004 0.000 1.240 45 P CA -0.484 62.613 63.100 -0.005 0.000 0.791 45 P CB 0.986 32.686 31.700 -0.000 0.000 0.978 46 K N 1.885 122.297 120.400 0.019 0.000 2.296 46 K HA 0.459 4.779 4.320 -0.000 0.000 0.257 46 K C -0.303 176.319 176.600 0.036 0.000 1.088 46 K CA -0.241 56.062 56.287 0.025 0.000 0.980 46 K CB 0.094 32.613 32.500 0.031 0.000 1.430 46 K HN 0.413 nan 8.250 nan 0.000 0.441 47 L N 1.272 122.514 121.223 0.032 0.000 2.350 47 L HA 0.332 4.672 4.340 -0.000 0.000 0.260 47 L C 1.468 178.359 176.870 0.036 0.000 1.015 47 L CA -0.918 53.947 54.840 0.042 0.000 0.821 47 L CB 1.753 43.838 42.059 0.044 0.000 1.370 47 L HN 0.405 nan 8.230 nan 0.000 0.416 48 K N 0.627 121.051 120.400 0.040 0.000 2.015 48 K HA -0.252 4.068 4.320 -0.000 0.000 0.220 48 K C 1.024 177.642 176.600 0.031 0.000 1.055 48 K CA 2.569 58.874 56.287 0.031 0.000 0.951 48 K CB 0.002 32.523 32.500 0.034 0.000 0.725 48 K HN 0.688 nan 8.250 nan 0.000 0.449 49 D N 0.549 120.974 120.400 0.042 0.000 2.221 49 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 49 D C 1.898 178.229 176.300 0.051 0.000 0.982 49 D CA 0.821 54.853 54.000 0.054 0.000 0.857 49 D CB -0.054 40.790 40.800 0.073 0.000 0.934 49 D HN 0.278 nan 8.370 nan 0.000 0.475 50 I N 1.390 121.979 120.570 0.032 0.000 2.286 50 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 50 I C 1.805 177.921 176.117 -0.002 0.000 1.104 50 I CA 1.069 62.374 61.300 0.008 0.000 1.397 50 I CB -0.745 37.256 38.000 0.001 0.000 1.072 50 I HN -0.049 nan 8.210 nan 0.000 0.417 51 D N 0.614 121.020 120.400 0.009 0.000 2.097 51 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 51 D C 2.105 178.407 176.300 0.004 0.000 0.989 51 D CA 1.711 55.715 54.000 0.006 0.000 0.827 51 D CB -0.336 40.470 40.800 0.009 0.000 0.966 51 D HN 0.248 nan 8.370 nan 0.000 0.456 52 T N 0.794 115.356 114.554 0.013 0.000 2.665 52 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 52 T C 2.055 176.770 174.700 0.025 0.000 1.035 52 T CA 1.916 64.028 62.100 0.020 0.000 1.151 52 T CB -0.589 68.296 68.868 0.029 0.000 0.862 52 T HN 0.163 nan 8.240 nan 0.000 0.438 53 T N 2.257 116.821 114.554 0.016 0.000 2.684 53 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 53 T C 2.066 176.696 174.700 -0.117 0.000 1.036 53 T CA 1.241 63.299 62.100 -0.071 0.000 1.148 53 T CB -0.392 68.382 68.868 -0.158 0.000 0.863 53 T HN 0.335 nan 8.240 nan 0.000 0.436 54 M N 0.541 120.096 119.600 -0.074 0.000 2.108 54 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 54 M C 2.360 178.646 176.300 -0.024 0.000 1.066 54 M CA 1.657 56.926 55.300 -0.052 0.000 1.107 54 M CB -0.379 32.209 32.600 -0.021 0.000 1.356 54 M HN 0.161 nan 8.290 nan 0.000 0.406 55 K N 0.345 120.740 120.400 -0.008 0.000 2.097 55 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 55 K C 1.961 178.570 176.600 0.015 0.000 1.050 55 K CA 1.020 57.309 56.287 0.005 0.000 0.938 55 K CB -0.222 32.282 32.500 0.007 0.000 0.718 55 K HN 0.322 nan 8.250 nan 0.000 0.442 56 L N 1.245 122.483 121.223 0.025 0.000 2.027 56 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 56 L C 2.114 179.017 176.870 0.055 0.000 1.074 56 L CA 1.127 56.005 54.840 0.064 0.000 0.745 56 L CB -0.126 42.013 42.059 0.134 0.000 0.898 56 L HN 0.187 nan 8.230 nan 0.000 0.433 57 L N -0.802 120.423 121.223 0.003 0.000 1.989 57 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 57 L C 2.537 179.419 176.870 0.020 0.000 1.071 57 L CA 1.976 56.817 54.840 0.002 0.000 0.749 57 L CB -1.018 41.004 42.059 -0.063 0.000 0.890 57 L HN 0.287 nan 8.230 nan 0.000 0.431 58 T N -1.278 113.282 114.554 0.011 0.000 2.665 58 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 58 T C 1.919 176.626 174.700 0.011 0.000 1.035 58 T CA 1.200 63.308 62.100 0.013 0.000 1.151 58 T CB -0.226 68.648 68.868 0.011 0.000 0.862 58 T HN 0.233 nan 8.240 nan 0.000 0.438 59 Q N 0.544 120.354 119.800 0.017 0.000 2.248 59 Q HA -0.007 4.333 4.340 -0.000 0.000 0.208 59 Q C 2.012 178.015 176.000 0.005 0.000 0.984 59 Q CA 1.131 56.943 55.803 0.015 0.000 0.875 59 Q CB -0.433 28.324 28.738 0.031 0.000 0.910 59 Q HN 0.544 nan 8.270 nan 0.000 0.433 60 L N -1.636 119.598 121.223 0.019 0.000 2.591 60 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 60 L C 1.198 178.048 176.870 -0.034 0.000 1.133 60 L CA 0.581 55.426 54.840 0.007 0.000 0.880 60 L CB 0.013 42.117 42.059 0.075 0.000 1.033 60 L HN 0.328 nan 8.230 nan 0.000 0.450 61 G N 0.199 108.987 108.800 -0.021 0.000 2.144 61 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 61 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 61 G C 0.359 175.265 174.900 0.010 0.000 0.988 61 G CA 0.249 45.333 45.100 -0.027 0.000 0.659 61 G HN 0.304 nan 8.290 nan 0.000 0.522 62 T N -0.091 114.481 114.554 0.030 0.000 2.882 62 T HA 0.592 4.942 4.350 -0.000 0.000 0.287 62 T C 0.313 175.038 174.700 0.042 0.000 0.992 62 T CA -0.218 61.912 62.100 0.051 0.000 1.076 62 T CB 0.757 69.665 68.868 0.066 0.000 0.961 62 T HN 0.270 nan 8.240 nan 0.000 0.490 63 K N 3.316 123.747 120.400 0.052 0.000 2.285 63 K HA 0.543 4.863 4.320 -0.000 0.000 0.286 63 K C -0.899 175.740 176.600 0.064 0.000 1.072 63 K CA -0.624 55.693 56.287 0.049 0.000 0.913 63 K CB 1.230 33.759 32.500 0.048 0.000 1.067 63 K HN 0.387 nan 8.250 nan 0.000 0.479 64 V N 3.277 123.225 119.914 0.056 0.000 2.604 64 V HA 0.400 4.520 4.120 -0.000 0.000 0.305 64 V C -0.601 175.545 176.094 0.086 0.000 1.043 64 V CA -0.837 61.506 62.300 0.072 0.000 0.888 64 V CB 1.642 33.487 31.823 0.038 0.000 0.995 64 V HN 0.891 nan 8.190 nan 0.000 0.429 65 E N 4.047 124.335 120.200 0.146 0.000 2.354 65 E HA 0.732 5.082 4.350 -0.000 0.000 0.283 65 E C -1.030 175.750 176.600 0.300 0.000 0.938 65 E CA -1.208 55.287 56.400 0.159 0.000 0.777 65 E CB 2.505 32.262 29.700 0.094 0.000 1.222 65 E HN 0.749 nan 8.360 nan 0.000 0.423 66 R N 0.945 121.591 120.500 0.244 0.000 2.922 66 R HA 0.505 4.845 4.340 -0.000 0.000 0.256 66 R C -0.570 175.903 176.300 0.287 0.000 1.138 66 R CA -0.425 55.854 56.100 0.298 0.000 0.995 66 R CB 0.642 31.019 30.300 0.129 0.000 1.226 66 R HN 0.550 nan 8.270 nan 0.000 0.481 67 D N -0.062 120.500 120.400 0.270 0.000 2.432 67 D HA 0.104 4.744 4.640 -0.000 0.000 0.270 67 D C 1.319 177.684 176.300 0.109 0.000 1.256 67 D CA 0.691 54.816 54.000 0.207 0.000 1.022 67 D CB -0.944 40.000 40.800 0.241 0.000 0.916 67 D HN 0.615 nan 8.370 nan 0.000 0.253 68 G N -1.179 107.668 108.800 0.079 0.000 2.986 68 G HA2 0.277 4.237 3.960 -0.000 0.000 0.213 68 G HA3 0.277 4.237 3.960 -0.000 0.000 0.213 68 G C 0.292 175.123 174.900 -0.115 0.000 1.156 68 G CA 0.559 45.653 45.100 -0.010 0.000 0.763 68 G HN 0.601 nan 8.290 nan 0.000 0.547 69 S N -1.137 114.412 115.700 -0.252 0.000 2.667 69 S HA 0.724 5.194 4.470 -0.000 0.000 0.292 69 S C -1.206 173.087 174.600 -0.512 0.000 1.126 69 S CA -0.774 57.135 58.200 -0.484 0.000 0.881 69 S CB 2.464 65.188 63.200 -0.793 0.000 1.132 69 S HN 0.028 nan 8.310 nan 0.000 0.492 70 V N 1.654 121.302 119.914 -0.443 0.000 2.384 70 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 70 V C -0.875 175.073 176.094 -0.243 0.000 1.020 70 V CA -0.543 61.639 62.300 -0.198 0.000 0.850 70 V CB 1.011 32.767 31.823 -0.112 0.000 0.987 70 V HN 0.833 nan 8.190 nan 0.000 0.436 71 W N 5.497 126.801 121.300 0.008 0.000 2.335 71 W HA 0.538 5.198 4.660 -0.000 0.000 0.307 71 W C -0.671 175.859 176.519 0.018 0.000 1.117 71 W CA -0.569 56.788 57.345 0.020 0.000 1.228 71 W CB 1.475 30.946 29.460 0.019 0.000 1.240 71 W HN 0.315 nan 8.180 nan 0.000 0.468 72 I N 3.344 124.026 120.570 0.187 0.000 2.474 72 I HA 0.168 4.338 4.170 -0.000 0.000 0.294 72 I C -0.399 175.800 176.117 0.137 0.000 1.005 72 I CA -0.396 60.981 61.300 0.129 0.000 1.113 72 I CB 1.952 39.998 38.000 0.077 0.000 1.289 72 I HN 0.275 nan 8.210 nan 0.000 0.436 73 D N 5.154 125.623 120.400 0.115 0.000 2.421 73 D HA 0.482 5.122 4.640 -0.000 0.000 0.254 73 D C 0.018 176.380 176.300 0.103 0.000 1.238 73 D CA -0.299 53.765 54.000 0.106 0.000 0.919 73 D CB 1.779 42.634 40.800 0.092 0.000 1.152 73 D HN 0.614 nan 8.370 nan 0.000 0.552 74 A N 2.521 125.413 122.820 0.120 0.000 2.423 74 A HA 0.110 4.430 4.320 -0.000 0.000 0.246 74 A C 1.805 179.497 177.584 0.180 0.000 1.278 74 A CA 0.443 52.571 52.037 0.151 0.000 0.903 74 A CB -0.195 18.911 19.000 0.176 0.000 0.997 74 A HN 0.484 nan 8.150 nan 0.000 0.510 75 S N 0.308 116.091 115.700 0.137 0.000 2.419 75 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 75 S C 1.041 175.738 174.600 0.160 0.000 1.019 75 S CA 1.480 59.762 58.200 0.136 0.000 0.982 75 S CB -0.347 62.910 63.200 0.094 0.000 0.789 75 S HN 0.544 nan 8.310 nan 0.000 0.490 76 N N 1.121 119.901 118.700 0.133 0.000 2.401 76 N HA 0.269 5.009 4.740 -0.000 0.000 0.264 76 N C -0.943 174.606 175.510 0.065 0.000 1.238 76 N CA -0.057 53.056 53.050 0.104 0.000 0.889 76 N CB 1.207 39.730 38.487 0.060 0.000 1.196 76 N HN 0.181 nan 8.380 nan 0.000 0.511 77 V N 2.871 122.844 119.914 0.099 0.000 2.557 77 V HA -0.090 4.030 4.120 -0.000 0.000 0.301 77 V C 0.874 176.849 176.094 -0.199 0.000 1.026 77 V CA 0.661 62.937 62.300 -0.040 0.000 1.137 77 V CB 0.407 32.225 31.823 -0.008 0.000 0.917 77 V HN 0.530 nan 8.190 nan 0.000 0.484 78 N N 2.169 120.710 118.700 -0.265 0.000 2.167 78 N HA 0.123 4.863 4.740 -0.000 0.000 0.234 78 N C -0.417 174.669 175.510 -0.707 0.000 1.312 78 N CA -0.456 52.340 53.050 -0.424 0.000 0.861 78 N CB 0.180 38.537 38.487 -0.216 0.000 1.217 78 N HN 0.573 nan 8.380 nan 0.000 0.504 79 N N 0.182 118.475 118.700 -0.677 0.000 2.430 79 N HA 0.315 5.055 4.740 -0.000 0.000 0.290 79 N C -1.546 173.690 175.510 -0.455 0.000 1.063 79 N CA -0.696 51.990 53.050 -0.606 0.000 0.883 79 N CB 0.737 39.066 38.487 -0.264 0.000 1.465 79 N HN -0.022 nan 8.380 nan 0.000 0.493 80 F N 0.662 120.556 119.950 -0.094 0.000 2.684 80 F HA 0.407 4.934 4.527 -0.000 0.000 0.298 80 F C 0.915 176.718 175.800 0.005 0.000 1.120 80 F CA -0.604 57.365 58.000 -0.052 0.000 1.332 80 F CB -0.146 38.827 39.000 -0.046 0.000 0.986 80 F HN 0.328 nan 8.300 nan 0.000 0.524 81 S N 1.091 116.855 115.700 0.108 0.000 2.596 81 S HA 0.763 5.233 4.470 -0.000 0.000 0.318 81 S C -0.187 174.516 174.600 0.172 0.000 1.097 81 S CA -0.553 57.720 58.200 0.121 0.000 1.080 81 S CB 0.636 63.841 63.200 0.008 0.000 0.991 81 S HN 0.204 nan 8.310 nan 0.000 0.471 82 A N 7.504 130.464 122.820 0.233 0.000 2.376 82 A HA 0.510 4.830 4.320 -0.000 0.000 0.298 82 A C -2.213 175.504 177.584 0.223 0.000 1.271 82 A CA -1.485 50.670 52.037 0.197 0.000 0.926 82 A CB -0.277 18.824 19.000 0.169 0.000 1.141 82 A HN 0.686 nan 8.150 nan 0.000 0.539 83 P HA -0.167 nan 4.420 nan 0.000 0.264 83 P C 0.255 177.621 177.300 0.110 0.000 1.183 83 P CA 0.418 63.627 63.100 0.183 0.000 0.763 83 P CB 0.410 32.181 31.700 0.119 0.000 0.807 84 Y N 4.172 124.456 120.300 -0.027 0.000 2.207 84 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 84 Y C 1.858 177.722 175.900 -0.060 0.000 1.156 84 Y CA 2.386 60.416 58.100 -0.117 0.000 1.182 84 Y CB -0.502 37.867 38.460 -0.151 0.000 0.979 84 Y HN 0.377 nan 8.280 nan 0.000 0.521 85 D N -0.608 119.748 120.400 -0.073 0.000 2.338 85 D HA -0.091 4.549 4.640 -0.000 0.000 0.239 85 D C 1.217 177.428 176.300 -0.148 0.000 1.095 85 D CA 0.649 54.550 54.000 -0.165 0.000 0.888 85 D CB -0.295 40.513 40.800 0.013 0.000 0.899 85 D HN 0.542 nan 8.370 nan 0.000 0.525 86 L N -0.665 120.479 121.223 -0.132 0.000 2.854 86 L HA 0.100 4.439 4.340 -0.000 0.000 0.249 86 L C 2.130 178.945 176.870 -0.092 0.000 1.091 86 L CA -0.004 54.792 54.840 -0.073 0.000 0.935 86 L CB 0.651 42.707 42.059 -0.004 0.000 1.367 86 L HN -0.139 nan 8.230 nan 0.000 0.524 87 V N 1.105 120.930 119.914 -0.148 0.000 2.446 87 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 87 V C 2.381 178.339 176.094 -0.225 0.000 1.039 87 V CA 1.698 63.909 62.300 -0.148 0.000 1.045 87 V CB -0.295 31.450 31.823 -0.130 0.000 0.681 87 V HN 0.494 nan 8.190 nan 0.000 0.459 88 K N 1.480 121.639 120.400 -0.403 0.000 2.286 88 K HA -0.227 4.093 4.320 -0.000 0.000 0.203 88 K C 1.734 178.197 176.600 -0.228 0.000 1.045 88 K CA 2.007 58.054 56.287 -0.400 0.000 0.935 88 K CB -0.756 31.314 32.500 -0.717 0.000 0.737 88 K HN 0.606 nan 8.250 nan 0.000 0.460 89 T N -1.248 113.195 114.554 -0.185 0.000 3.067 89 T HA 0.072 4.422 4.350 -0.000 0.000 0.261 89 T C 0.816 175.471 174.700 -0.075 0.000 1.110 89 T CA 0.174 62.207 62.100 -0.111 0.000 1.113 89 T CB -0.409 68.407 68.868 -0.087 0.000 0.917 89 T HN 0.481 nan 8.240 nan 0.000 0.499 90 M N -1.374 118.173 119.600 -0.088 0.000 2.465 90 M HA 0.590 5.070 4.480 -0.000 0.000 0.284 90 M C 0.318 176.533 176.300 -0.142 0.000 1.212 90 M CA -1.118 54.134 55.300 -0.079 0.000 0.910 90 M CB 2.107 34.692 32.600 -0.025 0.000 1.725 90 M HN -0.377 nan 8.290 nan 0.000 0.477 91 R N 1.331 121.726 120.500 -0.175 0.000 2.073 91 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 91 R C 2.124 178.153 176.300 -0.453 0.000 1.134 91 R CA 2.085 58.014 56.100 -0.285 0.000 0.952 91 R CB -0.620 29.519 30.300 -0.268 0.000 0.850 91 R HN 0.945 nan 8.270 nan 0.000 0.433 92 A N 1.015 123.573 122.820 -0.437 0.000 2.104 92 A HA -0.244 4.076 4.320 -0.000 0.000 0.223 92 A C 2.110 179.324 177.584 -0.616 0.000 1.164 92 A CA 1.932 53.616 52.037 -0.589 0.000 0.659 92 A CB -0.627 18.369 19.000 -0.005 0.000 0.808 92 A HN 0.300 nan 8.150 nan 0.000 0.465 93 S N -0.699 114.771 115.700 -0.384 0.000 2.392 93 S HA -0.223 4.247 4.470 -0.000 0.000 0.232 93 S C 1.729 176.059 174.600 -0.450 0.000 1.041 93 S CA 1.516 59.517 58.200 -0.332 0.000 1.026 93 S CB -0.449 62.651 63.200 -0.165 0.000 0.845 93 S HN 0.637 nan 8.310 nan 0.000 0.465 94 I N 0.837 121.108 120.570 -0.499 0.000 2.530 94 I HA -0.110 4.060 4.170 -0.000 0.000 0.257 94 I C 1.307 177.263 176.117 -0.269 0.000 1.179 94 I CA 0.866 61.913 61.300 -0.422 0.000 1.440 94 I CB -0.399 37.220 38.000 -0.635 0.000 1.087 94 I HN 0.386 nan 8.210 nan 0.000 0.440 95 W N 0.406 121.418 121.300 -0.479 0.000 2.961 95 W HA 0.130 4.790 4.660 -0.000 0.000 0.240 95 W C 2.279 178.614 176.519 -0.307 0.000 1.305 95 W CA 0.653 57.760 57.345 -0.397 0.000 1.465 95 W CB -1.226 27.962 29.460 -0.453 0.000 1.135 95 W HN 0.302 nan 8.180 nan 0.000 0.688 96 A N -0.339 122.400 122.820 -0.135 0.000 2.072 96 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 96 A C 1.937 179.627 177.584 0.176 0.000 1.156 96 A CA 0.641 52.798 52.037 0.201 0.000 0.701 96 A CB -0.446 18.729 19.000 0.293 0.000 0.816 96 A HN 0.136 nan 8.150 nan 0.000 0.458 97 L N 0.267 121.555 121.223 0.109 0.000 1.976 97 L HA -0.010 4.330 4.340 -0.000 0.000 0.209 97 L C 2.413 179.352 176.870 0.115 0.000 1.071 97 L CA 2.466 57.371 54.840 0.108 0.000 0.746 97 L CB -1.175 40.928 42.059 0.074 0.000 0.890 97 L HN 0.288 nan 8.230 nan 0.000 0.432 98 G N -0.554 108.324 108.800 0.129 0.000 2.491 98 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 98 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 98 G C -0.640 174.313 174.900 0.088 0.000 1.180 98 G CA 1.010 46.173 45.100 0.105 0.000 0.774 98 G HN 0.401 nan 8.290 nan 0.000 0.562 99 P HA -0.028 nan 4.420 nan 0.000 0.216 99 P C 2.069 179.442 177.300 0.120 0.000 1.153 99 P CA 0.679 63.846 63.100 0.112 0.000 0.848 99 P CB -0.101 31.703 31.700 0.174 0.000 0.787 100 L N -1.103 120.223 121.223 0.172 0.000 2.017 100 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 100 L C 2.507 179.408 176.870 0.052 0.000 1.073 100 L CA 1.304 56.261 54.840 0.194 0.000 0.745 100 L CB -1.214 40.937 42.059 0.153 0.000 0.894 100 L HN -0.098 nan 8.230 nan 0.000 0.432 101 V N -0.072 119.857 119.914 0.025 0.000 2.358 101 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 101 V C 2.612 178.679 176.094 -0.044 0.000 1.047 101 V CA 1.898 64.190 62.300 -0.014 0.000 1.035 101 V CB -0.118 31.714 31.823 0.014 0.000 0.658 101 V HN 0.435 nan 8.190 nan 0.000 0.452 102 A N -0.181 122.616 122.820 -0.039 0.000 1.930 102 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 102 A C 2.418 179.909 177.584 -0.155 0.000 1.175 102 A CA 2.037 54.032 52.037 -0.071 0.000 0.627 102 A CB -0.546 18.426 19.000 -0.047 0.000 0.815 102 A HN 0.591 nan 8.150 nan 0.000 0.443 103 R N -2.323 118.027 120.500 -0.250 0.000 2.128 103 R HA 0.133 4.473 4.340 -0.000 0.000 0.211 103 R C 0.752 176.595 176.300 -0.761 0.000 1.067 103 R CA 0.941 56.717 56.100 -0.541 0.000 1.010 103 R CB -0.020 29.823 30.300 -0.762 0.000 0.922 103 R HN 0.482 nan 8.270 nan 0.000 0.457 104 F N -1.092 118.715 119.950 -0.237 0.000 2.682 104 F HA 0.391 4.918 4.527 -0.000 0.000 0.308 104 F C 1.323 176.937 175.800 -0.311 0.000 1.093 104 F CA 0.310 58.092 58.000 -0.363 0.000 1.244 104 F CB 1.477 39.929 39.000 -0.913 0.000 1.052 104 F HN 0.245 nan 8.300 nan 0.000 0.573 105 G N 1.076 109.817 108.800 -0.099 0.000 2.184 105 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 105 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 105 G C 0.066 174.939 174.900 -0.044 0.000 0.975 105 G CA 0.498 45.565 45.100 -0.055 0.000 0.642 105 G HN 0.519 nan 8.290 nan 0.000 0.536 106 Q N -1.672 118.068 119.800 -0.101 0.000 2.578 106 Q HA 0.635 4.975 4.340 -0.000 0.000 0.284 106 Q C -0.455 175.525 176.000 -0.033 0.000 0.960 106 Q CA -0.460 55.324 55.803 -0.031 0.000 0.809 106 Q CB 1.570 30.339 28.738 0.052 0.000 1.462 106 Q HN 1.670 nan 8.270 nan 0.000 0.392 107 G N 0.787 109.627 108.800 0.068 0.000 2.466 107 G HA2 0.503 4.463 3.960 -0.000 0.000 0.291 107 G HA3 0.503 4.463 3.960 -0.000 0.000 0.291 107 G C -2.207 172.766 174.900 0.121 0.000 1.460 107 G CA -0.331 44.846 45.100 0.128 0.000 0.791 107 G HN 0.902 nan 8.290 nan 0.000 0.505 108 Q N -1.207 118.685 119.800 0.153 0.000 2.438 108 Q HA 0.658 4.998 4.340 -0.000 0.000 0.272 108 Q C -2.126 174.035 176.000 0.269 0.000 0.994 108 Q CA -1.025 54.887 55.803 0.183 0.000 0.887 108 Q CB 2.328 31.131 28.738 0.107 0.000 1.432 108 Q HN 0.675 nan 8.270 nan 0.000 0.392 109 V N 1.601 121.674 119.914 0.265 0.000 2.588 109 V HA 0.426 4.546 4.120 -0.000 0.000 0.304 109 V C -0.138 175.994 176.094 0.064 0.000 1.042 109 V CA -0.645 61.756 62.300 0.167 0.000 0.877 109 V CB 1.856 33.701 31.823 0.037 0.000 0.996 109 V HN 0.900 nan 8.190 nan 0.000 0.425 110 S N 4.441 120.057 115.700 -0.139 0.000 2.558 110 S HA 0.287 4.757 4.470 -0.000 0.000 0.288 110 S C -0.346 174.128 174.600 -0.210 0.000 1.318 110 S CA -0.127 57.767 58.200 -0.510 0.000 1.056 110 S CB 0.104 63.107 63.200 -0.329 0.000 0.853 110 S HN 0.635 nan 8.310 nan 0.000 0.505 111 L N 7.029 128.138 121.223 -0.190 0.000 2.335 111 L HA 0.425 4.765 4.340 -0.000 0.000 0.268 111 L C -2.014 174.840 176.870 -0.026 0.000 1.037 111 L CA -1.900 52.882 54.840 -0.098 0.000 0.895 111 L CB 1.181 43.186 42.059 -0.089 0.000 1.266 111 L HN 0.631 nan 8.230 nan 0.000 0.439 112 P HA 0.420 nan 4.420 nan 0.000 0.339 112 P C 0.186 177.497 177.300 0.018 0.000 1.376 112 P CA 0.160 63.325 63.100 0.108 0.000 0.797 112 P CB 0.216 31.947 31.700 0.050 0.000 1.872 113 G N -2.199 106.611 108.800 0.017 0.000 2.642 113 G HA2 0.229 4.188 3.960 -0.000 0.000 0.231 113 G HA3 0.229 4.188 3.960 -0.000 0.000 0.231 113 G C 0.287 175.186 174.900 -0.002 0.000 1.338 113 G CA 0.200 45.297 45.100 -0.005 0.000 0.883 113 G HN 0.907 nan 8.290 nan 0.000 0.570 114 G N -2.325 106.471 108.800 -0.007 0.000 4.103 114 G HA2 0.398 4.358 3.960 -0.000 0.000 0.123 114 G HA3 0.398 4.358 3.960 -0.000 0.000 0.123 114 G C 0.811 175.709 174.900 -0.004 0.000 1.189 114 G CA 1.155 46.252 45.100 -0.005 0.000 1.111 114 G HN 1.576 nan 8.290 nan 0.000 0.399 115 C N 1.231 120.532 119.300 0.001 0.000 2.641 115 C HA 0.715 5.175 4.460 -0.000 0.000 0.318 115 C C 1.218 176.212 174.990 0.006 0.000 1.490 115 C CA 0.899 59.919 59.018 0.004 0.000 2.260 115 C CB 0.476 28.220 27.740 0.007 0.000 2.103 115 C HN 2.179 nan 8.230 nan 0.000 0.641 116 A N 1.022 123.848 122.820 0.011 0.000 2.102 116 A HA -0.033 4.287 4.320 -0.000 0.000 0.249 116 A C -0.493 177.101 177.584 0.017 0.000 1.348 116 A CA -0.185 51.861 52.037 0.015 0.000 0.694 116 A CB -1.691 17.319 19.000 0.015 0.000 1.175 116 A HN 0.555 nan 8.150 nan 0.000 0.287 117 I N 1.047 121.630 120.570 0.021 0.000 2.713 117 I HA 0.590 4.760 4.170 -0.000 0.000 0.300 117 I C 1.800 177.937 176.117 0.033 0.000 1.009 117 I CA 1.625 62.941 61.300 0.027 0.000 1.305 117 I CB 0.810 38.825 38.000 0.026 0.000 1.430 117 I HN 1.877 nan 8.210 nan 0.000 0.546 118 G N 4.631 113.458 108.800 0.045 0.000 4.039 118 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 118 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 118 G C 0.548 175.480 174.900 0.053 0.000 1.391 118 G CA 0.228 45.359 45.100 0.050 0.000 0.920 118 G HN 1.019 nan 8.290 nan 0.000 0.599 119 A N 0.753 123.598 122.820 0.042 0.000 3.000 119 A HA 0.716 5.036 4.320 -0.000 0.000 0.315 119 A C 0.614 178.219 177.584 0.034 0.000 1.434 119 A CA 0.146 52.208 52.037 0.042 0.000 1.108 119 A CB 0.080 19.102 19.000 0.038 0.000 1.171 119 A HN 0.461 nan 8.150 nan 0.000 0.524 120 R N 2.554 123.075 120.500 0.036 0.000 2.547 120 R HA 0.308 4.648 4.340 -0.000 0.000 0.280 120 R C -3.259 173.049 176.300 0.013 0.000 1.630 120 R CA -1.919 54.190 56.100 0.014 0.000 1.470 120 R CB 0.730 31.034 30.300 0.006 0.000 1.178 120 R HN 0.296 nan 8.270 nan 0.000 0.591 121 P HA -0.082 nan 4.420 nan 0.000 0.266 121 P C 0.360 177.643 177.300 -0.028 0.000 1.180 121 P CA 0.316 63.438 63.100 0.036 0.000 0.765 121 P CB 0.752 32.465 31.700 0.021 0.000 0.806 122 V N 0.051 119.983 119.914 0.031 0.000 0.363 122 V HA -0.252 3.868 4.120 -0.000 0.000 0.092 122 V C 1.598 177.693 176.094 0.002 0.000 2.803 122 V CA 1.793 64.007 62.300 -0.144 0.000 3.846 122 V CB -1.581 30.104 31.823 -0.230 0.000 1.093 122 V HN 0.486 nan 8.190 nan 0.000 1.152 123 D N 0.565 120.966 120.400 0.002 0.000 2.133 123 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 123 D C 1.879 178.194 176.300 0.025 0.000 0.997 123 D CA 2.049 56.017 54.000 -0.053 0.000 0.840 123 D CB -0.137 40.719 40.800 0.094 0.000 0.947 123 D HN 0.585 nan 8.370 nan 0.000 0.452 124 L N 0.123 121.450 121.223 0.175 0.000 2.131 124 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 124 L C 2.404 179.346 176.870 0.120 0.000 1.092 124 L CA 1.079 56.026 54.840 0.179 0.000 0.759 124 L CB -0.393 41.733 42.059 0.113 0.000 0.903 124 L HN 0.271 nan 8.230 nan 0.000 0.435 125 H N -0.441 118.630 119.070 0.001 0.000 2.326 125 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 125 H C 2.443 177.749 175.328 -0.036 0.000 1.081 125 H CA 1.401 57.451 56.048 0.003 0.000 1.334 125 H CB 0.105 29.857 29.762 -0.017 0.000 1.385 125 H HN 0.317 nan 8.280 nan 0.000 0.504 126 I N 0.590 121.157 120.570 -0.005 0.000 2.118 126 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 126 I C 2.084 178.114 176.117 -0.145 0.000 1.070 126 I CA 1.679 62.867 61.300 -0.186 0.000 1.327 126 I CB -0.441 37.276 38.000 -0.472 0.000 1.034 126 I HN 0.119 nan 8.210 nan 0.000 0.405 127 F N 0.381 120.369 119.950 0.062 0.000 2.407 127 F HA -0.035 4.492 4.527 -0.000 0.000 0.299 127 F C 2.492 178.314 175.800 0.036 0.000 1.097 127 F CA 0.556 58.582 58.000 0.043 0.000 1.422 127 F CB -0.569 38.452 39.000 0.036 0.000 1.067 127 F HN 0.058 nan 8.300 nan 0.000 0.539 128 G N 0.471 109.385 108.800 0.189 0.000 2.404 128 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 128 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 128 G C 1.646 176.601 174.900 0.091 0.000 1.174 128 G CA 0.442 45.610 45.100 0.114 0.000 0.780 128 G HN 0.251 nan 8.290 nan 0.000 0.537 129 L N 0.245 121.518 121.223 0.084 0.000 2.093 129 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 129 L C 2.759 179.672 176.870 0.071 0.000 1.085 129 L CA 1.430 56.310 54.840 0.066 0.000 0.755 129 L CB -0.342 41.753 42.059 0.060 0.000 0.904 129 L HN 0.399 nan 8.230 nan 0.000 0.435 130 E N 0.440 120.699 120.200 0.098 0.000 2.077 130 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 130 E C 2.040 178.697 176.600 0.095 0.000 0.989 130 E CA 1.037 57.502 56.400 0.108 0.000 0.800 130 E CB 0.213 30.018 29.700 0.175 0.000 0.746 130 E HN 0.211 nan 8.360 nan 0.000 0.452 131 K N 0.432 120.895 120.400 0.105 0.000 2.147 131 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 131 K C 2.022 178.655 176.600 0.055 0.000 1.049 131 K CA 0.739 57.072 56.287 0.076 0.000 0.936 131 K CB -0.238 32.308 32.500 0.078 0.000 0.722 131 K HN 0.337 nan 8.250 nan 0.000 0.446 132 L N -0.176 121.078 121.223 0.051 0.000 2.599 132 L HA 0.018 4.358 4.340 -0.000 0.000 0.230 132 L C 1.029 177.916 176.870 0.029 0.000 1.141 132 L CA 0.530 55.390 54.840 0.034 0.000 0.877 132 L CB -0.191 41.885 42.059 0.027 0.000 1.009 132 L HN 0.423 nan 8.230 nan 0.000 0.447 133 G N -0.619 108.203 108.800 0.037 0.000 2.184 133 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 133 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 133 G C 0.318 175.236 174.900 0.031 0.000 0.995 133 G CA -0.111 45.007 45.100 0.030 0.000 0.651 133 G HN 0.439 nan 8.290 nan 0.000 0.511 134 A N 0.273 123.114 122.820 0.036 0.000 2.322 134 A HA 0.668 4.988 4.320 -0.000 0.000 0.269 134 A C 0.314 177.922 177.584 0.041 0.000 1.094 134 A CA -0.159 51.899 52.037 0.034 0.000 0.807 134 A CB 0.380 19.400 19.000 0.034 0.000 1.047 134 A HN 0.434 nan 8.150 nan 0.000 0.487 135 E N 2.095 122.316 120.200 0.036 0.000 2.089 135 E HA 0.294 4.644 4.350 -0.000 0.000 0.284 135 E C -0.661 175.960 176.600 0.035 0.000 1.023 135 E CA -0.489 55.934 56.400 0.038 0.000 0.819 135 E CB 0.832 30.551 29.700 0.032 0.000 1.076 135 E HN 0.402 nan 8.360 nan 0.000 0.396 136 I N 2.761 123.354 120.570 0.037 0.000 2.472 136 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 136 I C 0.265 176.395 176.117 0.021 0.000 1.016 136 I CA -0.233 61.080 61.300 0.021 0.000 1.348 136 I CB 0.771 38.768 38.000 -0.005 0.000 1.417 136 I HN 0.484 nan 8.210 nan 0.000 0.521 137 K N 5.751 126.162 120.400 0.019 0.000 2.507 137 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 137 K C -1.780 174.835 176.600 0.026 0.000 0.943 137 K CA -0.626 55.674 56.287 0.023 0.000 0.794 137 K CB 1.415 33.931 32.500 0.025 0.000 1.188 137 K HN 0.281 nan 8.250 nan 0.000 0.428 138 L N 5.540 126.776 121.223 0.022 0.000 2.313 138 L HA 0.434 4.774 4.340 -0.000 0.000 0.273 138 L C -0.359 176.532 176.870 0.035 0.000 1.028 138 L CA -0.170 54.685 54.840 0.025 0.000 0.871 138 L CB 0.281 42.342 42.059 0.003 0.000 1.242 138 L HN 0.818 nan 8.230 nan 0.000 0.434 139 E N 1.483 121.718 120.200 0.059 0.000 2.412 139 E HA 0.402 4.752 4.350 -0.000 0.000 0.279 139 E C -0.778 175.880 176.600 0.097 0.000 0.984 139 E CA -0.726 55.707 56.400 0.055 0.000 0.788 139 E CB 1.661 31.384 29.700 0.039 0.000 1.277 139 E HN 0.395 nan 8.360 nan 0.000 0.455 140 E N 0.244 120.488 120.200 0.073 0.000 2.660 140 E HA -0.301 4.049 4.350 -0.000 0.000 0.260 140 E C 0.702 177.371 176.600 0.116 0.000 1.122 140 E CA 0.767 57.227 56.400 0.100 0.000 0.755 140 E CB -1.811 27.975 29.700 0.143 0.000 1.345 140 E HN 1.142 nan 8.360 nan 0.000 0.421 141 G N -1.232 107.591 108.800 0.039 0.000 2.168 141 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.263 141 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.263 141 G C -0.175 174.672 174.900 -0.089 0.000 0.977 141 G CA 0.771 45.839 45.100 -0.054 0.000 0.659 141 G HN 0.361 nan 8.290 nan 0.000 0.533 142 Y N -0.905 119.388 120.300 -0.012 0.000 2.420 142 Y HA 0.561 5.111 4.550 -0.000 0.000 0.334 142 Y C 0.504 176.398 175.900 -0.010 0.000 1.094 142 Y CA -0.899 57.201 58.100 0.001 0.000 1.126 142 Y CB 2.203 40.669 38.460 0.010 0.000 1.217 142 Y HN 0.083 nan 8.280 nan 0.000 0.462 143 V N 4.125 124.136 119.914 0.161 0.000 2.350 143 V HA 0.378 4.498 4.120 -0.000 0.000 0.276 143 V C -0.596 175.563 176.094 0.109 0.000 1.028 143 V CA -1.130 61.213 62.300 0.072 0.000 0.860 143 V CB 0.639 32.465 31.823 0.005 0.000 0.990 143 V HN 0.627 nan 8.190 nan 0.000 0.453 144 K N 3.528 123.975 120.400 0.077 0.000 2.270 144 K HA 0.877 5.197 4.320 -0.000 0.000 0.255 144 K C -0.568 176.058 176.600 0.044 0.000 0.936 144 K CA -0.535 55.791 56.287 0.066 0.000 0.809 144 K CB 2.596 35.123 32.500 0.044 0.000 1.131 144 K HN 0.740 nan 8.250 nan 0.000 0.427 145 A N 1.476 124.325 122.820 0.047 0.000 2.374 145 A HA 0.649 4.969 4.320 -0.000 0.000 0.305 145 A C -0.763 176.842 177.584 0.035 0.000 1.053 145 A CA -0.653 51.407 52.037 0.038 0.000 0.726 145 A CB 1.208 20.232 19.000 0.040 0.000 1.229 145 A HN 0.705 nan 8.150 nan 0.000 0.431 146 S N 0.479 116.197 115.700 0.030 0.000 2.627 146 S HA 0.885 5.355 4.470 -0.000 0.000 0.283 146 S C -0.967 173.645 174.600 0.020 0.000 1.127 146 S CA -0.614 57.601 58.200 0.025 0.000 0.863 146 S CB 1.572 64.789 63.200 0.029 0.000 1.121 146 S HN 2.062 nan 8.310 nan 0.000 0.479 147 V N 0.660 120.583 119.914 0.014 0.000 3.120 147 V HA 0.518 4.638 4.120 -0.000 0.000 0.303 147 V C -1.734 174.365 176.094 0.009 0.000 1.238 147 V CA -0.866 61.441 62.300 0.012 0.000 1.008 147 V CB 2.268 34.094 31.823 0.005 0.000 1.064 147 V HN 1.040 nan 8.190 nan 0.000 0.434 148 N N 3.096 121.802 118.700 0.010 0.000 2.422 148 N HA 0.546 5.286 4.740 -0.000 0.000 0.266 148 N C 0.345 175.856 175.510 0.003 0.000 1.007 148 N CA 0.876 53.931 53.050 0.009 0.000 0.941 148 N CB 1.625 40.118 38.487 0.011 0.000 1.115 148 N HN 1.363 nan 8.380 nan 0.000 0.492 149 G N 2.686 111.486 108.800 -0.000 0.000 2.539 149 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.256 149 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.256 149 G C -0.232 174.658 174.900 -0.017 0.000 1.233 149 G CA -0.377 44.718 45.100 -0.008 0.000 0.936 149 G HN 0.627 nan 8.290 nan 0.000 0.571 150 R N -0.816 119.671 120.500 -0.021 0.000 2.546 150 R HA 0.631 4.971 4.340 -0.000 0.000 0.266 150 R C 0.609 176.897 176.300 -0.019 0.000 1.086 150 R CA -0.790 55.291 56.100 -0.030 0.000 1.160 150 R CB 0.408 30.687 30.300 -0.036 0.000 1.138 150 R HN 0.446 nan 8.270 nan 0.000 0.567 151 L N 1.458 122.669 121.223 -0.021 0.000 2.452 151 L HA 0.157 4.497 4.340 -0.000 0.000 0.267 151 L C -0.074 176.791 176.870 -0.008 0.000 1.188 151 L CA -0.058 54.777 54.840 -0.009 0.000 0.821 151 L CB 0.355 42.409 42.059 -0.009 0.000 1.102 151 L HN 0.249 nan 8.230 nan 0.000 0.470 152 K N 1.393 121.794 120.400 0.001 0.000 2.263 152 K HA 0.332 4.652 4.320 -0.000 0.000 0.272 152 K C 0.104 176.707 176.600 0.004 0.000 1.033 152 K CA -0.265 56.023 56.287 0.002 0.000 0.884 152 K CB 1.477 33.981 32.500 0.008 0.000 1.107 152 K HN 0.617 nan 8.250 nan 0.000 0.460 153 G N 1.752 110.550 108.800 -0.003 0.000 2.257 153 G HA2 0.322 4.282 3.960 -0.000 0.000 0.235 153 G HA3 0.322 4.282 3.960 -0.000 0.000 0.235 153 G C -0.528 174.378 174.900 0.009 0.000 1.225 153 G CA 0.138 45.235 45.100 -0.005 0.000 0.878 153 G HN 0.632 nan 8.290 nan 0.000 0.505 154 A N 1.893 124.721 122.820 0.014 0.000 2.539 154 A HA 0.651 4.971 4.320 -0.000 0.000 0.296 154 A C -0.833 176.788 177.584 0.062 0.000 1.073 154 A CA -0.754 51.309 52.037 0.044 0.000 0.700 154 A CB 1.240 20.269 19.000 0.047 0.000 1.296 154 A HN 0.981 nan 8.150 nan 0.000 0.405 155 H N 1.285 120.355 119.070 -0.001 0.000 2.820 155 H HA 0.606 5.162 4.556 -0.000 0.000 0.278 155 H C -0.865 174.462 175.328 -0.001 0.000 1.142 155 H CA -0.290 55.757 56.048 -0.002 0.000 1.346 155 H CB 0.060 29.820 29.762 -0.004 0.000 1.438 155 H HN 0.490 nan 8.280 nan 0.000 0.473 156 I N 5.839 126.534 120.570 0.208 0.000 2.377 156 I HA 0.166 4.336 4.170 -0.000 0.000 0.293 156 I C -0.517 175.686 176.117 0.144 0.000 0.987 156 I CA -1.030 60.356 61.300 0.143 0.000 1.185 156 I CB 1.937 39.981 38.000 0.073 0.000 1.341 156 I HN 0.328 nan 8.210 nan 0.000 0.455 157 V N 6.868 126.840 119.914 0.097 0.000 2.311 157 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 157 V C 0.373 176.491 176.094 0.040 0.000 1.022 157 V CA -0.568 61.772 62.300 0.068 0.000 0.830 157 V CB 1.145 32.987 31.823 0.033 0.000 1.012 157 V HN 0.609 nan 8.190 nan 0.000 0.452 158 M N 3.681 123.304 119.600 0.038 0.000 2.220 158 M HA 0.113 4.593 4.480 -0.000 0.000 0.343 158 M C 1.386 177.699 176.300 0.022 0.000 1.470 158 M CA 0.329 55.647 55.300 0.030 0.000 1.161 158 M CB 0.125 32.740 32.600 0.024 0.000 1.737 158 M HN 0.692 nan 8.290 nan 0.000 0.464 159 D N 3.465 123.876 120.400 0.020 0.000 2.117 159 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 159 D C -0.162 176.145 176.300 0.013 0.000 0.987 159 D CA 1.224 55.231 54.000 0.012 0.000 0.829 159 D CB 0.617 41.422 40.800 0.007 0.000 0.961 159 D HN 0.511 nan 8.370 nan 0.000 0.460 160 K N 0.453 120.865 120.400 0.020 0.000 2.221 160 K HA 0.381 4.701 4.320 -0.000 0.000 0.258 160 K C -0.690 175.920 176.600 0.017 0.000 0.944 160 K CA -0.813 55.483 56.287 0.015 0.000 0.823 160 K CB 3.176 35.690 32.500 0.022 0.000 1.113 160 K HN -0.235 nan 8.250 nan 0.000 0.431 161 V N 2.205 122.124 119.914 0.009 0.000 2.485 161 V HA 0.024 4.144 4.120 -0.000 0.000 0.287 161 V C 0.102 176.209 176.094 0.021 0.000 1.022 161 V CA 0.296 62.604 62.300 0.013 0.000 1.067 161 V CB 0.773 32.601 31.823 0.008 0.000 0.967 161 V HN 0.747 nan 8.190 nan 0.000 0.479 162 S N 4.082 119.798 115.700 0.027 0.000 2.707 162 S HA 0.382 4.852 4.470 -0.000 0.000 0.303 162 S C 0.591 175.224 174.600 0.054 0.000 1.132 162 S CA -0.632 57.593 58.200 0.042 0.000 1.046 162 S CB 1.792 65.013 63.200 0.035 0.000 1.004 162 S HN 0.373 nan 8.310 nan 0.000 0.483 163 V N 5.392 125.360 119.914 0.091 0.000 2.255 163 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 163 V C 2.622 178.843 176.094 0.212 0.000 1.051 163 V CA 2.709 65.086 62.300 0.127 0.000 1.018 163 V CB -1.118 30.801 31.823 0.159 0.000 0.641 163 V HN 0.945 nan 8.190 nan 0.000 0.445 164 G N -0.762 108.203 108.800 0.276 0.000 2.418 164 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 164 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 164 G C 1.735 176.724 174.900 0.149 0.000 1.158 164 G CA 1.060 46.433 45.100 0.456 0.000 0.771 164 G HN 0.628 nan 8.290 nan 0.000 0.545 165 A N 0.103 122.795 122.820 -0.214 0.000 1.929 165 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 165 A C 2.513 180.026 177.584 -0.119 0.000 1.176 165 A CA 2.258 54.061 52.037 -0.389 0.000 0.628 165 A CB -0.804 18.038 19.000 -0.262 0.000 0.816 165 A HN 0.279 nan 8.150 nan 0.000 0.444 166 T N -0.187 114.345 114.554 -0.037 0.000 2.720 166 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 166 T C 1.870 176.544 174.700 -0.043 0.000 1.037 166 T CA 1.682 63.767 62.100 -0.026 0.000 1.144 166 T CB -0.419 68.444 68.868 -0.009 0.000 0.864 166 T HN 0.152 nan 8.240 nan 0.000 0.444 167 V N 1.318 121.209 119.914 -0.039 0.000 2.307 167 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 167 V C 2.806 178.833 176.094 -0.111 0.000 1.045 167 V CA 2.025 64.224 62.300 -0.169 0.000 1.024 167 V CB -1.094 30.442 31.823 -0.478 0.000 0.651 167 V HN 0.514 nan 8.190 nan 0.000 0.449 168 T N 0.346 114.918 114.554 0.030 0.000 2.652 168 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 168 T C 1.798 176.513 174.700 0.025 0.000 1.039 168 T CA 1.995 64.152 62.100 0.096 0.000 1.153 168 T CB -0.291 68.683 68.868 0.176 0.000 0.863 168 T HN 0.342 nan 8.240 nan 0.000 0.428 169 I N 0.683 121.248 120.570 -0.008 0.000 2.202 169 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 169 I C 2.587 178.692 176.117 -0.020 0.000 1.091 169 I CA 1.260 62.555 61.300 -0.008 0.000 1.368 169 I CB -0.386 37.608 38.000 -0.011 0.000 1.058 169 I HN 0.252 nan 8.210 nan 0.000 0.410 170 M N 0.410 119.988 119.600 -0.037 0.000 2.086 170 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 170 M C 2.474 178.745 176.300 -0.048 0.000 1.067 170 M CA 1.970 57.242 55.300 -0.048 0.000 1.116 170 M CB -0.028 32.535 32.600 -0.061 0.000 1.348 170 M HN 0.125 nan 8.290 nan 0.000 0.407 171 S N 0.859 116.529 115.700 -0.051 0.000 2.356 171 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 171 S C 2.038 176.626 174.600 -0.021 0.000 1.032 171 S CA 1.404 59.581 58.200 -0.038 0.000 1.005 171 S CB -0.623 62.556 63.200 -0.035 0.000 0.867 171 S HN 0.696 nan 8.310 nan 0.000 0.449 172 A N 1.390 124.207 122.820 -0.006 0.000 1.969 172 A HA 0.181 4.500 4.320 -0.000 0.000 0.218 172 A C 2.288 179.860 177.584 -0.020 0.000 1.169 172 A CA 1.544 53.579 52.037 -0.003 0.000 0.635 172 A CB -0.908 18.103 19.000 0.017 0.000 0.810 172 A HN 0.512 nan 8.150 nan 0.000 0.445 173 A N -0.085 122.721 122.820 -0.023 0.000 2.067 173 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 173 A C 2.310 179.869 177.584 -0.041 0.000 1.158 173 A CA 2.138 54.157 52.037 -0.030 0.000 0.661 173 A CB -1.306 17.675 19.000 -0.032 0.000 0.801 173 A HN 0.777 nan 8.150 nan 0.000 0.452 174 T N -2.136 112.390 114.554 -0.048 0.000 2.929 174 T HA -0.007 4.343 4.350 -0.000 0.000 0.271 174 T C 1.258 175.921 174.700 -0.062 0.000 1.085 174 T CA 1.389 63.454 62.100 -0.059 0.000 1.125 174 T CB -0.320 68.507 68.868 -0.070 0.000 0.874 174 T HN 0.322 nan 8.240 nan 0.000 0.494 175 L N 0.390 121.577 121.223 -0.060 0.000 2.857 175 L HA 0.548 4.888 4.340 -0.000 0.000 0.249 175 L C 1.216 178.052 176.870 -0.057 0.000 1.172 175 L CA -0.560 54.239 54.840 -0.068 0.000 0.980 175 L CB -0.141 41.864 42.059 -0.090 0.000 1.299 175 L HN 0.296 nan 8.230 nan 0.000 0.535 176 A N 0.165 122.958 122.820 -0.045 0.000 2.271 176 A HA 0.367 4.687 4.320 -0.000 0.000 0.288 176 A C -0.012 177.553 177.584 -0.032 0.000 1.094 176 A CA -0.322 51.694 52.037 -0.034 0.000 0.828 176 A CB 0.406 19.391 19.000 -0.025 0.000 1.091 176 A HN 0.238 nan 8.150 nan 0.000 0.493 177 E N -0.012 120.173 120.200 -0.025 0.000 2.223 177 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 177 E C 0.550 177.139 176.600 -0.018 0.000 1.046 177 E CA 0.950 57.337 56.400 -0.022 0.000 0.857 177 E CB 0.708 30.398 29.700 -0.017 0.000 1.055 177 E HN 1.268 nan 8.360 nan 0.000 0.409 178 G N 2.479 111.267 108.800 -0.020 0.000 2.549 178 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.404 178 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.404 178 G C -0.446 174.439 174.900 -0.024 0.000 1.292 178 G CA -0.871 44.218 45.100 -0.018 0.000 0.935 178 G HN 0.445 nan 8.290 nan 0.000 0.512 179 T N 1.027 115.566 114.554 -0.024 0.000 2.875 179 T HA 0.688 5.038 4.350 -0.000 0.000 0.284 179 T C 0.082 174.756 174.700 -0.043 0.000 0.995 179 T CA 0.340 62.418 62.100 -0.037 0.000 1.060 179 T CB 1.465 70.309 68.868 -0.040 0.000 0.967 179 T HN 0.740 nan 8.240 nan 0.000 0.476 180 T N 3.493 118.012 114.554 -0.058 0.000 2.824 180 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 180 T C -0.394 174.237 174.700 -0.115 0.000 0.993 180 T CA -0.479 61.581 62.100 -0.066 0.000 0.967 180 T CB 0.573 69.415 68.868 -0.044 0.000 0.960 180 T HN 0.401 nan 8.240 nan 0.000 0.441 181 I N 3.851 124.308 120.570 -0.188 0.000 2.436 181 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 181 I C -0.609 175.395 176.117 -0.189 0.000 1.010 181 I CA -0.827 60.304 61.300 -0.282 0.000 1.098 181 I CB 1.779 39.399 38.000 -0.633 0.000 1.266 181 I HN 0.466 nan 8.210 nan 0.000 0.434 182 I N 6.106 126.614 120.570 -0.104 0.000 2.328 182 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 182 I C 0.035 176.144 176.117 -0.014 0.000 1.012 182 I CA -0.559 60.720 61.300 -0.035 0.000 1.195 182 I CB 0.920 38.904 38.000 -0.026 0.000 1.350 182 I HN 0.468 nan 8.210 nan 0.000 0.464 183 E N 4.951 125.171 120.200 0.033 0.000 2.266 183 E HA 0.149 4.499 4.350 -0.000 0.000 0.277 183 E C 0.028 176.647 176.600 0.032 0.000 1.018 183 E CA -0.518 55.910 56.400 0.048 0.000 0.840 183 E CB 1.049 30.808 29.700 0.099 0.000 1.082 183 E HN 0.552 nan 8.360 nan 0.000 0.395 184 N N 0.445 119.159 118.700 0.024 0.000 2.738 184 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 184 N C -1.343 174.176 175.510 0.015 0.000 1.047 184 N CA 0.778 53.838 53.050 0.018 0.000 0.707 184 N CB -0.859 37.639 38.487 0.019 0.000 0.937 184 N HN 0.602 nan 8.380 nan 0.000 0.545 185 A N 0.228 123.054 122.820 0.011 0.000 2.340 185 A HA 0.739 5.059 4.320 -0.000 0.000 0.268 185 A C 0.946 178.538 177.584 0.012 0.000 1.100 185 A CA 0.050 52.091 52.037 0.007 0.000 0.803 185 A CB 0.482 19.480 19.000 -0.003 0.000 1.043 185 A HN 0.938 nan 8.150 nan 0.000 0.488 186 A N 1.551 124.380 122.820 0.014 0.000 2.561 186 A HA 0.283 4.603 4.320 -0.000 0.000 0.234 186 A C 0.996 178.594 177.584 0.022 0.000 1.055 186 A CA 0.223 52.274 52.037 0.023 0.000 0.756 186 A CB -0.067 18.950 19.000 0.028 0.000 0.986 186 A HN 0.860 nan 8.150 nan 0.000 0.505 187 R N 0.698 121.223 120.500 0.041 0.000 2.397 187 R HA 0.091 4.431 4.340 -0.000 0.000 0.241 187 R C -0.406 175.920 176.300 0.045 0.000 0.914 187 R CA -0.188 55.949 56.100 0.061 0.000 1.071 187 R CB 0.207 30.570 30.300 0.104 0.000 1.116 187 R HN 0.796 nan 8.270 nan 0.000 0.524 188 E N 1.474 121.659 120.200 -0.025 0.000 2.508 188 E HA -0.073 4.277 4.350 -0.000 0.000 0.266 188 E C -1.712 174.754 176.600 -0.223 0.000 1.010 188 E CA -0.863 55.423 56.400 -0.191 0.000 0.955 188 E CB 0.386 30.021 29.700 -0.109 0.000 0.946 188 E HN -0.105 nan 8.360 nan 0.000 0.454 189 P HA -0.174 nan 4.420 nan 0.000 0.217 189 P C 0.286 177.519 177.300 -0.112 0.000 1.148 189 P CA 1.220 64.192 63.100 -0.214 0.000 0.828 189 P CB 0.272 31.828 31.700 -0.240 0.000 0.783 190 E N -1.215 118.919 120.200 -0.109 0.000 2.204 190 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 190 E C 1.857 178.409 176.600 -0.080 0.000 0.989 190 E CA 0.710 57.065 56.400 -0.074 0.000 0.824 190 E CB -0.705 28.961 29.700 -0.057 0.000 0.756 190 E HN 0.200 nan 8.360 nan 0.000 0.477 191 I N -0.001 120.524 120.570 -0.076 0.000 2.233 191 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 191 I C 2.084 178.165 176.117 -0.060 0.000 1.093 191 I CA 0.772 62.028 61.300 -0.073 0.000 1.380 191 I CB -0.925 37.045 38.000 -0.049 0.000 1.067 191 I HN 0.006 nan 8.210 nan 0.000 0.413 192 V N 1.114 121.002 119.914 -0.043 0.000 2.332 192 V HA -0.299 3.820 4.120 -0.000 0.000 0.248 192 V C 2.255 178.349 176.094 0.001 0.000 1.055 192 V CA 2.210 64.499 62.300 -0.019 0.000 1.038 192 V CB -0.725 31.093 31.823 -0.010 0.000 0.651 192 V HN 0.334 nan 8.190 nan 0.000 0.450 193 D N -0.418 119.986 120.400 0.006 0.000 2.144 193 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 193 D C 2.208 178.498 176.300 -0.017 0.000 0.978 193 D CA 1.543 55.584 54.000 0.069 0.000 0.833 193 D CB -0.027 40.821 40.800 0.080 0.000 0.961 193 D HN 0.412 nan 8.370 nan 0.000 0.470 194 T N -0.423 114.086 114.554 -0.074 0.000 2.777 194 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 194 T C 1.964 176.623 174.700 -0.067 0.000 1.040 194 T CA 1.276 63.312 62.100 -0.106 0.000 1.141 194 T CB -0.470 68.299 68.868 -0.164 0.000 0.868 194 T HN 0.212 nan 8.240 nan 0.000 0.444 195 A N 2.809 125.589 122.820 -0.066 0.000 1.873 195 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 195 A C 2.236 179.775 177.584 -0.075 0.000 1.193 195 A CA 1.785 53.784 52.037 -0.063 0.000 0.629 195 A CB -0.779 18.194 19.000 -0.045 0.000 0.826 195 A HN 0.401 nan 8.150 nan 0.000 0.447 196 N N -1.036 117.637 118.700 -0.046 0.000 2.223 196 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 196 N C 1.390 176.779 175.510 -0.202 0.000 1.016 196 N CA 1.562 54.602 53.050 -0.017 0.000 0.863 196 N CB -0.637 37.949 38.487 0.166 0.000 0.983 196 N HN 0.592 nan 8.380 nan 0.000 0.429 197 F N 1.608 121.154 119.950 -0.673 0.000 2.113 197 F HA -0.008 4.519 4.527 -0.000 0.000 0.297 197 F C 1.994 177.546 175.800 -0.412 0.000 1.103 197 F CA 0.963 58.370 58.000 -0.989 0.000 1.248 197 F CB -0.434 37.983 39.000 -0.971 0.000 0.999 197 F HN -0.089 nan 8.300 nan 0.000 0.475 198 L N -0.404 120.580 121.223 -0.399 0.000 2.046 198 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 198 L C 2.389 179.069 176.870 -0.317 0.000 1.077 198 L CA 1.063 55.672 54.840 -0.385 0.000 0.747 198 L CB -0.876 41.083 42.059 -0.167 0.000 0.896 198 L HN 0.039 nan 8.230 nan 0.000 0.432 199 V N 0.041 119.825 119.914 -0.216 0.000 2.407 199 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 199 V C 2.732 178.734 176.094 -0.154 0.000 1.055 199 V CA 1.675 63.889 62.300 -0.144 0.000 1.049 199 V CB -0.888 30.888 31.823 -0.079 0.000 0.662 199 V HN 0.487 nan 8.190 nan 0.000 0.455 200 A N -0.318 122.389 122.820 -0.188 0.000 2.019 200 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 200 A C 2.040 179.500 177.584 -0.206 0.000 1.164 200 A CA 1.487 53.445 52.037 -0.132 0.000 0.644 200 A CB -0.458 18.524 19.000 -0.031 0.000 0.805 200 A HN 0.553 nan 8.150 nan 0.000 0.449 201 L N -1.714 119.300 121.223 -0.349 0.000 2.591 201 L HA 0.250 4.590 4.340 -0.000 0.000 0.228 201 L C 1.534 178.292 176.870 -0.186 0.000 1.133 201 L CA 0.541 55.201 54.840 -0.300 0.000 0.880 201 L CB -0.006 41.793 42.059 -0.434 0.000 1.033 201 L HN 0.569 nan 8.230 nan 0.000 0.450 202 G N -0.399 108.308 108.800 -0.155 0.000 2.192 202 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.193 202 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.193 202 G C 0.322 175.160 174.900 -0.102 0.000 0.999 202 G CA -0.174 44.862 45.100 -0.107 0.000 0.659 202 G HN 0.402 nan 8.290 nan 0.000 0.503 203 A N 0.022 122.767 122.820 -0.126 0.000 2.332 203 A HA 0.713 5.033 4.320 -0.000 0.000 0.258 203 A C 0.397 177.932 177.584 -0.082 0.000 1.087 203 A CA 0.196 52.170 52.037 -0.105 0.000 0.802 203 A CB 0.466 19.392 19.000 -0.123 0.000 1.042 203 A HN 0.311 nan 8.150 nan 0.000 0.489 204 K N 1.160 121.519 120.400 -0.068 0.000 2.414 204 K HA 0.560 4.879 4.320 -0.000 0.000 0.251 204 K C -1.454 175.114 176.600 -0.054 0.000 1.037 204 K CA 0.321 56.574 56.287 -0.055 0.000 0.980 204 K CB 0.831 33.302 32.500 -0.048 0.000 1.280 204 K HN 0.593 nan 8.250 nan 0.000 0.451 205 I N 1.447 121.986 120.570 -0.052 0.000 2.647 205 I HA 0.325 4.495 4.170 -0.000 0.000 0.295 205 I C -0.407 175.687 176.117 -0.039 0.000 1.078 205 I CA -0.703 60.568 61.300 -0.049 0.000 1.048 205 I CB 2.296 40.263 38.000 -0.055 0.000 1.239 205 I HN 0.507 nan 8.210 nan 0.000 0.421 206 S N 2.532 118.210 115.700 -0.037 0.000 2.556 206 S HA 0.805 5.275 4.470 -0.000 0.000 0.271 206 S C 0.127 174.710 174.600 -0.028 0.000 1.135 206 S CA 0.082 58.265 58.200 -0.028 0.000 0.858 206 S CB 2.049 65.233 63.200 -0.026 0.000 1.114 206 S HN 1.374 nan 8.310 nan 0.000 0.468 207 G N 1.044 109.833 108.800 -0.019 0.000 2.194 207 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 207 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 207 G C 0.127 175.020 174.900 -0.012 0.000 0.987 207 G CA 0.114 45.204 45.100 -0.016 0.000 0.635 207 G HN 1.341 nan 8.290 nan 0.000 0.520 208 Q N 0.400 120.192 119.800 -0.014 0.000 2.315 208 Q HA 0.376 4.716 4.340 -0.000 0.000 0.289 208 Q C 1.210 177.212 176.000 0.002 0.000 1.044 208 Q CA 1.151 56.947 55.803 -0.012 0.000 0.920 208 Q CB 0.871 29.599 28.738 -0.017 0.000 1.214 208 Q HN 1.847 nan 8.270 nan 0.000 0.392 209 G N 1.877 110.683 108.800 0.009 0.000 2.213 209 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 209 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 209 G C 0.282 175.205 174.900 0.038 0.000 0.991 209 G CA 0.447 45.567 45.100 0.033 0.000 0.629 209 G HN 1.166 nan 8.290 nan 0.000 0.517 210 T N -2.318 112.247 114.554 0.019 0.000 2.804 210 T HA 0.572 4.922 4.350 -0.000 0.000 0.272 210 T C 1.345 176.053 174.700 0.013 0.000 0.986 210 T CA 0.693 62.803 62.100 0.016 0.000 0.999 210 T CB 1.599 70.471 68.868 0.007 0.000 1.307 210 T HN 0.235 nan 8.240 nan 0.000 0.586 211 D N 0.151 120.557 120.400 0.010 0.000 2.178 211 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 211 D C 0.736 177.039 176.300 0.005 0.000 0.974 211 D CA 0.705 54.711 54.000 0.010 0.000 0.841 211 D CB -0.058 40.748 40.800 0.011 0.000 0.953 211 D HN 0.776 nan 8.370 nan 0.000 0.478 212 R N 0.000 120.499 120.500 -0.002 0.000 2.575 212 R HA 0.645 4.985 4.340 -0.000 0.000 0.293 212 R C -0.817 175.466 176.300 -0.028 0.000 0.983 212 R CA -0.772 55.319 56.100 -0.015 0.000 0.887 212 R CB 1.378 31.667 30.300 -0.017 0.000 1.184 212 R HN -0.099 nan 8.270 nan 0.000 0.445 213 I N 2.372 122.919 120.570 -0.038 0.000 2.437 213 I HA 0.370 4.540 4.170 -0.000 0.000 0.298 213 I C -0.344 175.734 176.117 -0.065 0.000 0.984 213 I CA -0.973 60.300 61.300 -0.044 0.000 1.214 213 I CB 2.428 40.404 38.000 -0.040 0.000 1.365 213 I HN 0.679 nan 8.210 nan 0.000 0.469 214 T N 6.492 121.008 114.554 -0.062 0.000 2.809 214 T HA 0.621 4.971 4.350 -0.000 0.000 0.284 214 T C -0.457 174.206 174.700 -0.061 0.000 0.992 214 T CA -0.331 61.725 62.100 -0.073 0.000 0.957 214 T CB 1.192 70.019 68.868 -0.069 0.000 0.942 214 T HN 0.169 nan 8.240 nan 0.000 0.439 215 I N 2.482 123.014 120.570 -0.063 0.000 2.433 215 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 215 I C 0.209 176.295 176.117 -0.051 0.000 1.001 215 I CA -0.611 60.656 61.300 -0.055 0.000 1.119 215 I CB 1.761 39.730 38.000 -0.053 0.000 1.289 215 I HN 0.385 nan 8.210 nan 0.000 0.438 216 E N 4.397 124.568 120.200 -0.048 0.000 2.102 216 E HA 0.366 4.716 4.350 -0.000 0.000 0.263 216 E C -0.035 176.538 176.600 -0.044 0.000 0.894 216 E CA -0.419 55.956 56.400 -0.043 0.000 0.746 216 E CB 1.721 31.397 29.700 -0.039 0.000 1.129 216 E HN 0.812 nan 8.360 nan 0.000 0.416 217 G N 2.139 110.914 108.800 -0.042 0.000 2.414 217 G HA2 0.259 4.219 3.960 -0.000 0.000 0.236 217 G HA3 0.259 4.219 3.960 -0.000 0.000 0.236 217 G C 0.315 175.188 174.900 -0.045 0.000 1.293 217 G CA -0.106 44.968 45.100 -0.045 0.000 0.869 217 G HN 0.288 nan 8.290 nan 0.000 0.556 218 V N -0.243 119.639 119.914 -0.052 0.000 3.113 218 V HA 0.562 4.682 4.120 -0.000 0.000 0.316 218 V C 0.972 177.033 176.094 -0.055 0.000 1.125 218 V CA -0.866 61.404 62.300 -0.051 0.000 1.026 218 V CB 1.975 33.765 31.823 -0.056 0.000 1.080 218 V HN 0.599 nan 8.190 nan 0.000 0.444 219 E N 1.592 121.762 120.200 -0.050 0.000 2.049 219 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 219 E C 0.665 177.225 176.600 -0.067 0.000 1.007 219 E CA 2.192 58.561 56.400 -0.052 0.000 0.809 219 E CB -0.064 29.610 29.700 -0.043 0.000 0.749 219 E HN 0.865 nan 8.360 nan 0.000 0.450 220 R N -1.585 118.874 120.500 -0.067 0.000 2.733 220 R HA 0.577 4.917 4.340 -0.000 0.000 0.272 220 R C -1.073 175.181 176.300 -0.077 0.000 1.029 220 R CA -0.694 55.359 56.100 -0.079 0.000 0.888 220 R CB 0.778 31.036 30.300 -0.070 0.000 1.251 220 R HN -0.137 nan 8.270 nan 0.000 0.464 221 L N 0.951 122.124 121.223 -0.085 0.000 2.334 221 L HA 0.632 4.972 4.340 -0.000 0.000 0.276 221 L C 0.657 177.482 176.870 -0.075 0.000 1.014 221 L CA -0.681 54.103 54.840 -0.093 0.000 0.815 221 L CB 1.998 43.987 42.059 -0.117 0.000 1.268 221 L HN 0.990 nan 8.230 nan 0.000 0.428 222 G N 1.081 109.835 108.800 -0.077 0.000 3.229 222 G HA2 0.622 4.582 3.960 -0.000 0.000 0.165 222 G HA3 0.622 4.582 3.960 -0.000 0.000 0.165 222 G C -0.013 174.861 174.900 -0.044 0.000 1.753 222 G CA 0.340 45.410 45.100 -0.050 0.000 1.054 222 G HN 0.763 nan 8.290 nan 0.000 0.544 223 G N -3.269 105.513 108.800 -0.030 0.000 2.975 223 G HA2 0.721 4.681 3.960 -0.000 0.000 0.291 223 G HA3 0.721 4.681 3.960 -0.000 0.000 0.291 223 G C -0.261 174.638 174.900 -0.002 0.000 1.334 223 G CA 0.136 45.234 45.100 -0.003 0.000 0.843 223 G HN 1.888 nan 8.290 nan 0.000 0.548 224 G N -2.526 106.301 108.800 0.044 0.000 2.302 224 G HA2 0.486 4.446 3.960 -0.000 0.000 0.264 224 G HA3 0.486 4.446 3.960 -0.000 0.000 0.264 224 G C -1.750 173.209 174.900 0.098 0.000 1.335 224 G CA 0.185 45.319 45.100 0.057 0.000 0.982 224 G HN 1.470 nan 8.290 nan 0.000 0.473 225 V N 0.133 120.111 119.914 0.105 0.000 2.735 225 V HA 0.817 4.937 4.120 -0.000 0.000 0.310 225 V C -1.044 175.168 176.094 0.196 0.000 1.061 225 V CA -0.598 61.770 62.300 0.113 0.000 0.913 225 V CB 1.739 33.596 31.823 0.057 0.000 1.005 225 V HN 1.131 nan 8.190 nan 0.000 0.428 226 Y N 2.979 123.315 120.300 0.059 0.000 2.482 226 Y HA 0.560 5.109 4.550 -0.000 0.000 0.334 226 Y C -0.440 175.464 175.900 0.007 0.000 1.091 226 Y CA -0.755 57.398 58.100 0.088 0.000 1.027 226 Y CB 1.672 40.310 38.460 0.297 0.000 1.306 226 Y HN 0.625 nan 8.280 nan 0.000 0.446 227 R N 5.002 125.193 120.500 -0.516 0.000 2.255 227 R HA 0.582 4.922 4.340 -0.000 0.000 0.326 227 R C -1.295 174.844 176.300 -0.269 0.000 0.986 227 R CA -0.592 55.320 56.100 -0.313 0.000 0.847 227 R CB 0.980 31.116 30.300 -0.274 0.000 1.111 227 R HN 0.620 nan 8.270 nan 0.000 0.452 228 V N 6.688 126.567 119.914 -0.058 0.000 2.599 228 V HA -0.033 4.087 4.120 -0.000 0.000 0.300 228 V C 0.861 176.937 176.094 -0.029 0.000 1.034 228 V CA 0.031 62.338 62.300 0.012 0.000 1.115 228 V CB 0.504 32.310 31.823 -0.028 0.000 0.934 228 V HN 0.665 nan 8.190 nan 0.000 0.485 229 L N 6.196 127.420 121.223 0.003 0.000 2.473 229 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 229 L C -2.356 174.498 176.870 -0.026 0.000 1.215 229 L CA -1.389 53.439 54.840 -0.020 0.000 0.823 229 L CB -0.061 41.995 42.059 -0.005 0.000 1.099 229 L HN 0.358 nan 8.230 nan 0.000 0.483 230 P HA 0.000 nan 4.420 nan 0.000 0.269 230 P C -1.131 176.157 177.300 -0.020 0.000 1.209 230 P CA -0.035 63.054 63.100 -0.017 0.000 0.776 230 P CB 0.368 32.064 31.700 -0.006 0.000 0.876 231 D N 2.447 122.835 120.400 -0.020 0.000 2.342 231 D HA -0.020 4.620 4.640 -0.000 0.000 0.260 231 D C 1.360 177.649 176.300 -0.018 0.000 1.278 231 D CA 0.015 53.993 54.000 -0.037 0.000 0.910 231 D CB 0.481 41.245 40.800 -0.061 0.000 1.079 231 D HN 0.326 nan 8.370 nan 0.000 0.496 232 R N 3.821 124.303 120.500 -0.028 0.000 2.115 232 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 232 R C 1.426 177.720 176.300 -0.009 0.000 1.111 232 R CA 0.569 56.660 56.100 -0.014 0.000 0.976 232 R CB -0.177 30.104 30.300 -0.033 0.000 0.870 232 R HN 0.332 nan 8.270 nan 0.000 0.445 233 I N 1.859 122.406 120.570 -0.039 0.000 2.286 233 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 233 I C 2.541 178.661 176.117 0.005 0.000 1.104 233 I CA 1.184 62.464 61.300 -0.034 0.000 1.397 233 I CB -1.312 36.647 38.000 -0.069 0.000 1.072 233 I HN 0.342 nan 8.210 nan 0.000 0.417 234 E N 0.953 121.133 120.200 -0.034 0.000 2.085 234 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 234 E C 2.028 178.774 176.600 0.243 0.000 0.994 234 E CA 2.066 58.519 56.400 0.089 0.000 0.801 234 E CB 0.161 29.911 29.700 0.083 0.000 0.743 234 E HN 0.412 nan 8.360 nan 0.000 0.453 235 T N -0.249 114.414 114.554 0.182 0.000 2.708 235 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 235 T C 1.733 176.542 174.700 0.183 0.000 1.037 235 T CA 1.274 63.498 62.100 0.207 0.000 1.146 235 T CB -0.672 68.267 68.868 0.119 0.000 0.865 235 T HN 0.413 nan 8.240 nan 0.000 0.435 236 G N 1.110 109.981 108.800 0.119 0.000 2.442 236 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 236 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 236 G C 1.714 176.670 174.900 0.094 0.000 1.141 236 G CA 1.500 46.674 45.100 0.124 0.000 0.763 236 G HN 0.467 nan 8.290 nan 0.000 0.554 237 T N 0.905 115.481 114.554 0.035 0.000 2.746 237 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 237 T C 2.041 176.601 174.700 -0.233 0.000 1.039 237 T CA 1.158 63.186 62.100 -0.121 0.000 1.142 237 T CB -0.332 68.434 68.868 -0.169 0.000 0.866 237 T HN 0.299 nan 8.240 nan 0.000 0.444 238 F N 0.699 120.688 119.950 0.065 0.000 2.293 238 F HA 0.192 4.719 4.527 -0.000 0.000 0.297 238 F C 2.073 177.885 175.800 0.020 0.000 1.089 238 F CA 0.408 58.428 58.000 0.034 0.000 1.377 238 F CB -0.465 38.560 39.000 0.043 0.000 1.051 238 F HN 0.050 nan 8.300 nan 0.000 0.511 239 L N -0.698 120.635 121.223 0.183 0.000 2.083 239 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 239 L C 2.289 179.182 176.870 0.038 0.000 1.083 239 L CA 0.701 55.611 54.840 0.118 0.000 0.752 239 L CB -0.796 41.340 42.059 0.129 0.000 0.899 239 L HN -0.022 nan 8.230 nan 0.000 0.433 240 V N 0.024 119.925 119.914 -0.021 0.000 2.515 240 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 240 V C 2.767 178.801 176.094 -0.101 0.000 1.058 240 V CA 1.551 63.767 62.300 -0.139 0.000 1.064 240 V CB -0.836 30.850 31.823 -0.228 0.000 0.675 240 V HN 0.465 nan 8.190 nan 0.000 0.461 241 A N 0.208 122.993 122.820 -0.059 0.000 1.908 241 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 241 A C 2.397 179.975 177.584 -0.009 0.000 1.181 241 A CA 2.394 54.409 52.037 -0.036 0.000 0.627 241 A CB -0.688 18.326 19.000 0.024 0.000 0.818 241 A HN 0.575 nan 8.150 nan 0.000 0.445 242 A N -0.582 122.248 122.820 0.017 0.000 1.898 242 A HA 0.337 4.657 4.320 -0.000 0.000 0.214 242 A C 2.486 180.060 177.584 -0.018 0.000 1.183 242 A CA 1.604 53.645 52.037 0.007 0.000 0.622 242 A CB -0.993 18.021 19.000 0.023 0.000 0.824 242 A HN 1.077 nan 8.150 nan 0.000 0.444 243 A N 0.643 123.446 122.820 -0.029 0.000 1.978 243 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 243 A C 1.925 179.477 177.584 -0.054 0.000 1.170 243 A CA 1.559 53.570 52.037 -0.043 0.000 0.636 243 A CB -0.782 18.176 19.000 -0.069 0.000 0.810 243 A HN 1.052 nan 8.150 nan 0.000 0.448 244 I N -2.975 117.554 120.570 -0.068 0.000 3.875 244 I HA 0.202 4.372 4.170 -0.000 0.000 0.329 244 I C 0.906 176.998 176.117 -0.041 0.000 1.295 244 I CA 0.873 62.136 61.300 -0.062 0.000 1.129 244 I CB 0.371 38.322 38.000 -0.083 0.000 1.008 244 I HN 0.198 nan 8.210 nan 0.000 0.413 245 S N -0.644 115.038 115.700 -0.031 0.000 2.846 245 S HA 0.445 4.915 4.470 -0.000 0.000 0.249 245 S C 1.332 175.923 174.600 -0.015 0.000 1.028 245 S CA 0.140 58.327 58.200 -0.022 0.000 1.043 245 S CB 0.382 63.570 63.200 -0.020 0.000 0.990 245 S HN 0.731 nan 8.310 nan 0.000 0.564 246 G N 0.642 109.434 108.800 -0.014 0.000 2.168 246 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.257 246 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.257 246 G C 0.554 175.444 174.900 -0.017 0.000 0.997 246 G CA 0.095 45.190 45.100 -0.008 0.000 0.708 246 G HN 1.126 nan 8.290 nan 0.000 0.520 247 G N -0.972 107.815 108.800 -0.022 0.000 2.543 247 G HA2 0.604 4.564 3.960 -0.000 0.000 0.290 247 G HA3 0.604 4.564 3.960 -0.000 0.000 0.290 247 G C -0.200 174.673 174.900 -0.045 0.000 1.310 247 G CA 0.007 45.092 45.100 -0.026 0.000 1.025 247 G HN 0.542 nan 8.290 nan 0.000 0.502 248 K N -0.759 119.615 120.400 -0.043 0.000 2.427 248 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 248 K C -1.663 174.920 176.600 -0.028 0.000 0.931 248 K CA -0.696 55.558 56.287 -0.055 0.000 0.793 248 K CB 1.962 34.420 32.500 -0.071 0.000 1.211 248 K HN 0.425 nan 8.250 nan 0.000 0.426 249 I N 3.109 123.671 120.570 -0.012 0.000 2.918 249 I HA 0.378 4.548 4.170 -0.000 0.000 0.301 249 I C -1.750 174.378 176.117 0.018 0.000 1.312 249 I CA -0.971 60.330 61.300 0.001 0.000 1.007 249 I CB 2.369 40.389 38.000 0.033 0.000 1.281 249 I HN 0.375 nan 8.210 nan 0.000 0.440 250 V N 5.307 125.220 119.914 -0.001 0.000 2.531 250 V HA 0.361 4.481 4.120 -0.000 0.000 0.301 250 V C -0.639 175.476 176.094 0.035 0.000 1.034 250 V CA -0.580 61.735 62.300 0.026 0.000 0.865 250 V CB 1.471 33.248 31.823 -0.076 0.000 0.995 250 V HN 0.761 nan 8.190 nan 0.000 0.424 251 C N 6.190 125.555 119.300 0.109 0.000 2.265 251 C HA 0.585 5.045 4.460 -0.000 0.000 0.332 251 C C 0.556 175.620 174.990 0.124 0.000 1.248 251 C CA -1.024 58.043 59.018 0.082 0.000 1.727 251 C CB -0.210 27.596 27.740 0.110 0.000 2.348 251 C HN 0.732 nan 8.230 nan 0.000 0.519 252 R N 2.681 123.216 120.500 0.059 0.000 2.500 252 R HA 0.275 4.615 4.340 -0.000 0.000 0.277 252 R C 0.222 176.557 176.300 0.059 0.000 1.026 252 R CA -0.337 55.810 56.100 0.079 0.000 1.058 252 R CB 0.315 30.623 30.300 0.014 0.000 1.078 252 R HN 0.778 nan 8.270 nan 0.000 0.509 253 N N -1.203 117.540 118.700 0.073 0.000 2.758 253 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 253 N C -1.169 174.361 175.510 0.034 0.000 1.076 253 N CA 1.160 54.233 53.050 0.039 0.000 0.696 253 N CB -0.980 37.514 38.487 0.012 0.000 0.979 253 N HN 0.762 nan 8.380 nan 0.000 0.550 254 A N -0.253 122.599 122.820 0.053 0.000 2.313 254 A HA 0.750 5.070 4.320 -0.000 0.000 0.323 254 A C -0.008 177.578 177.584 0.003 0.000 1.133 254 A CA -0.460 51.598 52.037 0.036 0.000 0.847 254 A CB 1.370 20.406 19.000 0.060 0.000 1.308 254 A HN 0.185 nan 8.150 nan 0.000 0.475 255 Q N 0.617 120.414 119.800 -0.007 0.000 2.616 255 Q HA 0.310 4.650 4.340 -0.000 0.000 0.250 255 Q C -2.224 173.761 176.000 -0.025 0.000 0.991 255 Q CA -1.838 53.950 55.803 -0.025 0.000 0.707 255 Q CB 1.361 30.085 28.738 -0.022 0.000 1.247 255 Q HN 0.437 nan 8.270 nan 0.000 0.491 256 P HA -0.225 nan 4.420 nan 0.000 0.216 256 P C 0.495 177.780 177.300 -0.025 0.000 1.154 256 P CA 1.610 64.682 63.100 -0.048 0.000 0.865 256 P CB 0.189 31.827 31.700 -0.103 0.000 0.789 257 D N -1.658 118.727 120.400 -0.025 0.000 2.378 257 D HA -0.087 4.553 4.640 -0.000 0.000 0.227 257 D C 0.976 177.294 176.300 0.030 0.000 1.012 257 D CA 1.050 55.048 54.000 -0.004 0.000 0.905 257 D CB -1.400 39.395 40.800 -0.008 0.000 0.895 257 D HN 0.227 nan 8.370 nan 0.000 0.532 258 T N -2.824 111.747 114.554 0.029 0.000 3.086 258 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 258 T C 1.115 175.862 174.700 0.079 0.000 1.074 258 T CA -0.307 61.830 62.100 0.061 0.000 0.988 258 T CB -0.211 68.659 68.868 0.003 0.000 0.988 258 T HN 0.188 nan 8.240 nan 0.000 0.530 259 L N 0.865 122.112 121.223 0.040 0.000 3.366 259 L HA 0.365 4.705 4.340 -0.000 0.000 0.304 259 L C 0.696 177.573 176.870 0.012 0.000 1.292 259 L CA -0.334 54.518 54.840 0.020 0.000 1.012 259 L CB 0.560 42.630 42.059 0.020 0.000 1.414 259 L HN -0.016 nan 8.230 nan 0.000 0.603 260 D N 1.523 121.927 120.400 0.008 0.000 2.106 260 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 260 D C 2.155 178.460 176.300 0.008 0.000 0.997 260 D CA 1.730 55.731 54.000 0.001 0.000 0.834 260 D CB 0.174 40.966 40.800 -0.014 0.000 0.956 260 D HN 0.394 nan 8.370 nan 0.000 0.448 261 A N 0.921 123.736 122.820 -0.009 0.000 1.865 261 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 261 A C 2.635 180.262 177.584 0.071 0.000 1.191 261 A CA 1.736 53.789 52.037 0.027 0.000 0.623 261 A CB -0.921 18.087 19.000 0.012 0.000 0.826 261 A HN 0.161 nan 8.150 nan 0.000 0.444 262 V N 0.136 120.041 119.914 -0.014 0.000 2.343 262 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 262 V C 2.572 178.756 176.094 0.150 0.000 1.051 262 V CA 1.934 64.245 62.300 0.018 0.000 1.036 262 V CB -0.745 31.047 31.823 -0.053 0.000 0.654 262 V HN 0.558 nan 8.190 nan 0.000 0.451 263 L N -0.037 121.248 121.223 0.103 0.000 2.056 263 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 263 L C 2.764 179.702 176.870 0.113 0.000 1.078 263 L CA 1.508 56.416 54.840 0.113 0.000 0.749 263 L CB -0.872 41.227 42.059 0.067 0.000 0.901 263 L HN 0.363 nan 8.230 nan 0.000 0.433 264 A N 0.193 123.064 122.820 0.086 0.000 1.902 264 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 264 A C 2.306 179.950 177.584 0.099 0.000 1.181 264 A CA 1.990 54.072 52.037 0.075 0.000 0.623 264 A CB -0.408 18.622 19.000 0.050 0.000 0.818 264 A HN 0.189 nan 8.150 nan 0.000 0.443 265 K N -0.026 120.448 120.400 0.124 0.000 2.097 265 K HA 0.015 4.335 4.320 -0.000 0.000 0.206 265 K C 1.695 178.454 176.600 0.265 0.000 1.049 265 K CA 1.296 57.666 56.287 0.139 0.000 0.933 265 K CB -0.571 31.950 32.500 0.036 0.000 0.717 265 K HN 0.494 nan 8.250 nan 0.000 0.442 266 L N -0.054 121.360 121.223 0.319 0.000 2.141 266 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 266 L C 2.368 179.335 176.870 0.162 0.000 1.094 266 L CA 1.074 56.082 54.840 0.280 0.000 0.763 266 L CB -0.260 41.950 42.059 0.252 0.000 0.908 266 L HN 0.121 nan 8.230 nan 0.000 0.437 267 R N 0.086 120.665 120.500 0.132 0.000 2.092 267 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 267 R C 2.095 178.448 176.300 0.088 0.000 1.119 267 R CA 1.247 57.406 56.100 0.097 0.000 0.970 267 R CB -0.276 30.072 30.300 0.079 0.000 0.864 267 R HN 0.437 nan 8.270 nan 0.000 0.440 268 E N 0.604 120.859 120.200 0.092 0.000 2.160 268 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 268 E C 1.782 178.430 176.600 0.081 0.000 0.991 268 E CA 1.141 57.587 56.400 0.076 0.000 0.810 268 E CB -0.048 29.693 29.700 0.069 0.000 0.742 268 E HN 0.349 nan 8.360 nan 0.000 0.466 269 A N -0.016 122.868 122.820 0.106 0.000 2.209 269 A HA 0.143 4.463 4.320 -0.000 0.000 0.212 269 A C 1.761 179.386 177.584 0.068 0.000 1.158 269 A CA 1.039 53.130 52.037 0.090 0.000 0.742 269 A CB -0.248 18.814 19.000 0.103 0.000 0.790 269 A HN 0.367 nan 8.150 nan 0.000 0.472 270 G N -2.510 106.334 108.800 0.073 0.000 2.163 270 G HA2 0.153 4.113 3.960 -0.000 0.000 0.213 270 G HA3 0.153 4.113 3.960 -0.000 0.000 0.213 270 G C 0.360 175.309 174.900 0.080 0.000 0.991 270 G CA 0.154 45.296 45.100 0.070 0.000 0.653 270 G HN 1.514 nan 8.290 nan 0.000 0.518 271 A N 0.142 123.009 122.820 0.079 0.000 2.407 271 A HA 0.540 4.860 4.320 -0.000 0.000 0.248 271 A C 0.205 177.842 177.584 0.088 0.000 1.082 271 A CA 0.670 52.751 52.037 0.073 0.000 0.785 271 A CB 0.536 19.578 19.000 0.069 0.000 1.020 271 A HN 0.595 nan 8.150 nan 0.000 0.489 272 D N 1.968 122.421 120.400 0.089 0.000 2.412 272 D HA 0.471 5.111 4.640 -0.000 0.000 0.224 272 D C -0.664 175.688 176.300 0.088 0.000 1.093 272 D CA 0.006 54.077 54.000 0.119 0.000 0.850 272 D CB 0.060 40.994 40.800 0.223 0.000 1.046 272 D HN 0.343 nan 8.370 nan 0.000 0.507 273 I N 2.715 123.339 120.570 0.091 0.000 2.441 273 I HA 0.353 4.523 4.170 -0.000 0.000 0.295 273 I C 0.276 176.451 176.117 0.096 0.000 0.994 273 I CA -0.757 60.598 61.300 0.092 0.000 1.144 273 I CB 1.773 39.822 38.000 0.082 0.000 1.314 273 I HN 0.241 nan 8.210 nan 0.000 0.445 274 E N 3.670 123.949 120.200 0.131 0.000 2.248 274 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 274 E C -1.088 175.517 176.600 0.009 0.000 0.877 274 E CA -0.709 55.772 56.400 0.135 0.000 0.759 274 E CB 2.588 32.459 29.700 0.286 0.000 1.182 274 E HN 0.655 nan 8.360 nan 0.000 0.418 275 T N -0.761 113.635 114.554 -0.262 0.000 2.907 275 T HA 0.796 5.146 4.350 -0.000 0.000 0.292 275 T C 0.214 174.277 174.700 -1.061 0.000 1.043 275 T CA -0.748 60.987 62.100 -0.607 0.000 1.003 275 T CB 1.960 70.636 68.868 -0.319 0.000 1.084 275 T HN 0.468 nan 8.240 nan 0.000 0.483 276 G N 0.241 108.088 108.800 -1.588 0.000 3.209 276 G HA2 0.492 4.452 3.960 -0.000 0.000 0.236 276 G HA3 0.492 4.452 3.960 -0.000 0.000 0.236 276 G C 0.248 174.750 174.900 -0.662 0.000 1.329 276 G CA -0.541 43.748 45.100 -1.351 0.000 1.015 276 G HN 0.708 nan 8.290 nan 0.000 0.571 277 E N -0.546 119.430 120.200 -0.373 0.000 2.107 277 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 277 E C 0.847 177.357 176.600 -0.150 0.000 0.982 277 E CA 1.868 58.160 56.400 -0.181 0.000 0.809 277 E CB 0.157 29.815 29.700 -0.070 0.000 0.756 277 E HN 0.463 nan 8.360 nan 0.000 0.459 278 D N -0.921 119.409 120.400 -0.116 0.000 2.740 278 D HA 0.103 4.743 4.640 -0.000 0.000 0.301 278 D C -0.427 175.942 176.300 0.116 0.000 1.408 278 D CA -0.586 53.414 54.000 0.000 0.000 0.808 278 D CB -0.705 40.133 40.800 0.063 0.000 1.128 278 D HN 0.285 nan 8.370 nan 0.000 0.465 279 W N -0.249 121.049 121.300 -0.004 0.000 3.146 279 W HA 0.649 5.309 4.660 -0.000 0.000 0.319 279 W C -2.194 174.329 176.519 0.006 0.000 1.258 279 W CA -1.292 56.052 57.345 -0.002 0.000 1.189 279 W CB 0.357 29.812 29.460 -0.007 0.000 1.412 279 W HN -0.284 nan 8.180 nan 0.000 0.567 280 I N 2.895 123.685 120.570 0.366 0.000 2.569 280 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 280 I C -0.109 176.246 176.117 0.397 0.000 1.088 280 I CA -0.674 60.770 61.300 0.240 0.000 1.047 280 I CB 2.500 40.566 38.000 0.111 0.000 1.237 280 I HN 0.459 nan 8.210 nan 0.000 0.421 281 S N 6.740 122.684 115.700 0.405 0.000 2.536 281 S HA 0.876 5.346 4.470 -0.000 0.000 0.298 281 S C -1.032 173.663 174.600 0.158 0.000 1.083 281 S CA -0.740 57.621 58.200 0.269 0.000 0.995 281 S CB 2.367 65.728 63.200 0.268 0.000 1.058 281 S HN 0.657 nan 8.310 nan 0.000 0.488 282 L N 1.853 123.128 121.223 0.088 0.000 2.436 282 L HA 0.681 5.021 4.340 -0.000 0.000 0.268 282 L C -2.062 174.795 176.870 -0.021 0.000 0.974 282 L CA -0.300 54.569 54.840 0.048 0.000 0.826 282 L CB 1.987 44.082 42.059 0.060 0.000 1.291 282 L HN 0.832 nan 8.230 nan 0.000 0.406 283 D N 4.551 124.902 120.400 -0.082 0.000 2.757 283 D HA 0.349 4.989 4.640 -0.000 0.000 0.249 283 D C 0.167 176.311 176.300 -0.260 0.000 1.168 283 D CA -0.431 53.419 54.000 -0.250 0.000 0.870 283 D CB 1.936 42.449 40.800 -0.478 0.000 1.411 283 D HN 0.464 nan 8.370 nan 0.000 0.525 284 M N 1.447 120.935 119.600 -0.186 0.000 2.465 284 M HA 0.054 4.534 4.480 -0.000 0.000 0.249 284 M C 0.143 176.451 176.300 0.013 0.000 1.130 284 M CA 0.163 55.429 55.300 -0.057 0.000 1.067 284 M CB -0.628 31.960 32.600 -0.020 0.000 1.394 284 M HN 0.494 nan 8.290 nan 0.000 0.483 285 H N 0.380 119.461 119.070 0.019 0.000 2.770 285 H HA -0.158 4.398 4.556 -0.000 0.000 0.309 285 H C 1.343 176.678 175.328 0.011 0.000 1.206 285 H CA 0.970 57.027 56.048 0.015 0.000 1.147 285 H CB -2.071 27.702 29.762 0.017 0.000 1.422 285 H HN 0.656 nan 8.280 nan 0.000 0.420 286 G N -0.495 108.344 108.800 0.066 0.000 2.189 286 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 286 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 286 G C 0.419 175.345 174.900 0.044 0.000 0.975 286 G CA 0.969 46.097 45.100 0.047 0.000 0.644 286 G HN 0.540 nan 8.290 nan 0.000 0.537 287 K N 0.049 120.482 120.400 0.055 0.000 2.087 287 K HA 0.581 4.901 4.320 -0.000 0.000 0.255 287 K C 0.837 177.454 176.600 0.028 0.000 0.988 287 K CA -0.864 55.449 56.287 0.044 0.000 0.915 287 K CB 1.041 33.577 32.500 0.060 0.000 1.043 287 K HN 0.190 nan 8.250 nan 0.000 0.457 288 R N 1.984 122.497 120.500 0.022 0.000 2.641 288 R HA 0.140 4.480 4.340 -0.000 0.000 0.269 288 R C -2.032 174.278 176.300 0.016 0.000 1.074 288 R CA -1.405 54.703 56.100 0.013 0.000 1.133 288 R CB 0.111 30.419 30.300 0.012 0.000 1.029 288 R HN 0.466 nan 8.270 nan 0.000 0.488 289 P HA 0.030 nan 4.420 nan 0.000 0.274 289 P C -1.178 176.135 177.300 0.020 0.000 1.237 289 P CA -0.237 62.869 63.100 0.010 0.000 0.793 289 P CB 0.782 32.474 31.700 -0.014 0.000 0.977 290 K N 1.708 122.127 120.400 0.032 0.000 2.156 290 K HA 0.420 4.740 4.320 -0.000 0.000 0.271 290 K C -0.352 176.272 176.600 0.040 0.000 0.995 290 K CA -0.505 55.804 56.287 0.036 0.000 0.890 290 K CB 1.233 33.757 32.500 0.040 0.000 1.073 290 K HN 0.548 nan 8.250 nan 0.000 0.454 291 A N 3.177 126.020 122.820 0.037 0.000 2.540 291 A HA 0.265 4.585 4.320 -0.000 0.000 0.239 291 A C 0.131 177.740 177.584 0.042 0.000 1.061 291 A CA -0.093 51.966 52.037 0.037 0.000 0.758 291 A CB -0.120 18.898 19.000 0.030 0.000 0.991 291 A HN 0.630 nan 8.150 nan 0.000 0.502 292 V N -0.231 119.714 119.914 0.051 0.000 3.074 292 V HA 0.854 4.974 4.120 -0.000 0.000 0.314 292 V C -0.049 176.049 176.094 0.006 0.000 1.117 292 V CA -0.684 61.641 62.300 0.042 0.000 1.014 292 V CB 1.708 33.581 31.823 0.084 0.000 1.057 292 V HN 0.769 nan 8.190 nan 0.000 0.438 293 T N 1.886 116.424 114.554 -0.027 0.000 2.767 293 T HA 0.714 5.064 4.350 -0.000 0.000 0.284 293 T C -0.445 174.174 174.700 -0.135 0.000 0.973 293 T CA -0.295 61.770 62.100 -0.058 0.000 0.996 293 T CB 1.232 70.074 68.868 -0.042 0.000 0.927 293 T HN 0.734 nan 8.240 nan 0.000 0.456 294 V N 3.711 123.518 119.914 -0.178 0.000 2.735 294 V HA 0.640 4.760 4.120 -0.000 0.000 0.310 294 V C -0.111 175.842 176.094 -0.236 0.000 1.061 294 V CA -1.039 61.044 62.300 -0.360 0.000 0.913 294 V CB 2.132 33.616 31.823 -0.566 0.000 1.005 294 V HN 0.762 nan 8.190 nan 0.000 0.428 295 R N 2.406 122.762 120.500 -0.241 0.000 2.507 295 R HA 0.452 4.792 4.340 -0.000 0.000 0.298 295 R C -0.090 176.202 176.300 -0.013 0.000 1.087 295 R CA -0.290 55.760 56.100 -0.083 0.000 0.917 295 R CB 1.494 31.768 30.300 -0.044 0.000 1.173 295 R HN 0.960 nan 8.270 nan 0.000 0.472 296 T N 0.938 115.535 114.554 0.070 0.000 2.926 296 T HA 0.641 4.991 4.350 -0.000 0.000 0.307 296 T C 0.186 174.956 174.700 0.115 0.000 1.059 296 T CA -0.146 62.075 62.100 0.201 0.000 1.122 296 T CB 1.576 70.567 68.868 0.205 0.000 0.972 296 T HN 0.645 nan 8.240 nan 0.000 0.545 297 A N 3.023 125.910 122.820 0.111 0.000 2.566 297 A HA 0.735 5.055 4.320 -0.000 0.000 0.290 297 A C -3.159 174.451 177.584 0.044 0.000 1.071 297 A CA -1.766 50.303 52.037 0.052 0.000 0.658 297 A CB 0.293 19.314 19.000 0.036 0.000 1.285 297 A HN 0.641 nan 8.150 nan 0.000 0.427 298 P HA 0.209 nan 4.420 nan 0.000 0.266 298 P C -0.411 176.909 177.300 0.035 0.000 1.195 298 P CA 0.536 63.655 63.100 0.032 0.000 0.768 298 P CB 0.135 31.844 31.700 0.015 0.000 0.838 299 H N 5.261 124.328 119.070 -0.004 0.000 2.972 299 H HA 0.026 4.582 4.556 -0.000 0.000 0.343 299 H C -1.029 174.295 175.328 -0.007 0.000 1.054 299 H CA -0.774 55.267 56.048 -0.011 0.000 1.412 299 H CB 0.304 30.058 29.762 -0.015 0.000 1.385 299 H HN 0.349 nan 8.280 nan 0.000 0.600 300 P HA 0.066 nan 4.420 nan 0.000 0.252 300 P C -0.296 176.749 177.300 -0.425 0.000 1.265 300 P CA 0.306 62.760 63.100 -1.078 0.000 0.775 300 P CB -0.114 31.201 31.700 -0.642 0.000 1.128 301 A N 0.415 123.113 122.820 -0.204 0.000 2.292 301 A HA 0.241 4.561 4.320 -0.000 0.000 0.265 301 A C -0.149 177.436 177.584 0.002 0.000 1.133 301 A CA -0.579 51.423 52.037 -0.058 0.000 0.807 301 A CB -0.529 18.467 19.000 -0.006 0.000 1.102 301 A HN 0.152 nan 8.150 nan 0.000 0.502 302 F N 1.722 121.621 119.950 -0.084 0.000 2.612 302 F HA 0.211 4.738 4.527 -0.000 0.000 0.389 302 F C -1.586 174.188 175.800 -0.043 0.000 1.055 302 F CA -1.066 56.878 58.000 -0.094 0.000 1.232 302 F CB 0.541 39.455 39.000 -0.144 0.000 1.044 302 F HN 0.270 nan 8.300 nan 0.000 0.560 303 P HA -0.001 nan 4.420 nan 0.000 0.281 303 P C 0.251 177.499 177.300 -0.085 0.000 1.252 303 P CA -0.142 62.837 63.100 -0.202 0.000 0.778 303 P CB 1.579 33.137 31.700 -0.236 0.000 0.895 304 T N 1.542 116.154 114.554 0.097 0.000 2.849 304 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 304 T C 0.946 175.694 174.700 0.081 0.000 1.066 304 T CA 1.619 63.822 62.100 0.171 0.000 1.130 304 T CB -0.658 68.400 68.868 0.316 0.000 0.864 304 T HN 0.295 nan 8.240 nan 0.000 0.481 305 D N 0.300 120.711 120.400 0.018 0.000 2.378 305 D HA 0.062 4.702 4.640 -0.000 0.000 0.227 305 D C 1.317 177.604 176.300 -0.021 0.000 1.012 305 D CA 0.491 54.477 54.000 -0.023 0.000 0.905 305 D CB 0.053 40.834 40.800 -0.031 0.000 0.895 305 D HN 0.388 nan 8.370 nan 0.000 0.532 306 M N -0.202 119.379 119.600 -0.032 0.000 2.313 306 M HA 0.068 4.548 4.480 -0.000 0.000 0.273 306 M C 1.603 178.090 176.300 0.312 0.000 1.049 306 M CA 0.109 55.443 55.300 0.056 0.000 1.004 306 M CB 0.467 32.938 32.600 -0.216 0.000 1.461 306 M HN -0.002 nan 8.290 nan 0.000 0.514 307 Q N 1.031 120.983 119.800 0.254 0.000 2.020 307 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 307 Q C 1.772 177.841 176.000 0.115 0.000 0.982 307 Q CA 2.183 58.152 55.803 0.277 0.000 0.838 307 Q CB 0.064 28.894 28.738 0.153 0.000 0.899 307 Q HN 0.450 nan 8.270 nan 0.000 0.423 308 A N 0.726 123.448 122.820 -0.163 0.000 1.883 308 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 308 A C 2.016 179.486 177.584 -0.191 0.000 1.186 308 A CA 1.982 53.672 52.037 -0.578 0.000 0.624 308 A CB -0.653 17.907 19.000 -0.733 0.000 0.822 308 A HN 0.526 nan 8.150 nan 0.000 0.444 309 Q N -1.432 118.350 119.800 -0.031 0.000 2.124 309 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 309 Q C 1.617 177.618 176.000 0.002 0.000 0.977 309 Q CA 1.686 57.485 55.803 -0.007 0.000 0.850 309 Q CB -0.385 28.369 28.738 0.026 0.000 0.901 309 Q HN 0.708 nan 8.270 nan 0.000 0.429 310 F N -0.347 119.649 119.950 0.076 0.000 2.456 310 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 310 F C 2.099 177.936 175.800 0.062 0.000 1.104 310 F CA 0.939 58.993 58.000 0.091 0.000 1.435 310 F CB -0.119 38.968 39.000 0.144 0.000 1.078 310 F HN -0.002 nan 8.300 nan 0.000 0.546 311 T N 0.511 115.197 114.554 0.219 0.000 2.777 311 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 311 T C 2.039 176.813 174.700 0.123 0.000 1.040 311 T CA 1.232 63.460 62.100 0.214 0.000 1.141 311 T CB -0.495 68.609 68.868 0.393 0.000 0.868 311 T HN 0.140 nan 8.240 nan 0.000 0.444 312 L N 1.400 122.666 121.223 0.071 0.000 1.989 312 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 312 L C 2.238 179.092 176.870 -0.026 0.000 1.071 312 L CA 1.575 56.425 54.840 0.017 0.000 0.749 312 L CB -0.934 41.108 42.059 -0.027 0.000 0.890 312 L HN 0.257 nan 8.230 nan 0.000 0.431 313 L N -0.315 120.855 121.223 -0.088 0.000 2.013 313 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 313 L C 2.248 179.091 176.870 -0.044 0.000 1.073 313 L CA 1.976 56.738 54.840 -0.129 0.000 0.753 313 L CB -0.545 41.326 42.059 -0.314 0.000 0.890 313 L HN 0.431 nan 8.230 nan 0.000 0.432 314 N N -0.163 118.541 118.700 0.007 0.000 2.188 314 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 314 N C 1.813 177.331 175.510 0.013 0.000 1.018 314 N CA 1.304 54.368 53.050 0.023 0.000 0.858 314 N CB -0.352 38.158 38.487 0.039 0.000 0.989 314 N HN 0.371 nan 8.380 nan 0.000 0.426 315 L N 0.368 121.601 121.223 0.016 0.000 2.353 315 L HA -0.054 4.286 4.340 -0.000 0.000 0.220 315 L C 1.327 178.195 176.870 -0.005 0.000 1.133 315 L CA 0.620 55.467 54.840 0.012 0.000 0.798 315 L CB -0.082 41.990 42.059 0.022 0.000 0.922 315 L HN 0.080 nan 8.230 nan 0.000 0.445 316 V N -4.740 115.167 119.914 -0.011 0.000 3.176 316 V HA 0.565 4.685 4.120 -0.000 0.000 0.332 316 V C 0.613 176.702 176.094 -0.009 0.000 1.414 316 V CA -0.238 62.051 62.300 -0.018 0.000 1.133 316 V CB -0.349 31.457 31.823 -0.028 0.000 1.088 316 V HN 0.104 nan 8.190 nan 0.000 0.473 317 A N 0.498 123.319 122.820 0.002 0.000 2.263 317 A HA 0.816 5.136 4.320 -0.000 0.000 0.318 317 A C -0.160 177.438 177.584 0.023 0.000 1.111 317 A CA -0.582 51.460 52.037 0.010 0.000 0.901 317 A CB 1.100 20.107 19.000 0.012 0.000 1.280 317 A HN 0.407 nan 8.150 nan 0.000 0.503 318 E N -0.329 119.887 120.200 0.027 0.000 2.152 318 E HA 0.487 4.837 4.350 -0.000 0.000 0.285 318 E C 0.402 177.026 176.600 0.041 0.000 1.043 318 E CA 1.262 57.682 56.400 0.033 0.000 0.839 318 E CB 0.100 29.818 29.700 0.030 0.000 1.069 318 E HN 1.679 nan 8.360 nan 0.000 0.399 319 G N 2.747 111.579 108.800 0.054 0.000 2.631 319 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.504 319 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.504 319 G C -0.508 174.437 174.900 0.074 0.000 1.306 319 G CA -0.467 44.671 45.100 0.063 0.000 0.897 319 G HN 0.588 nan 8.290 nan 0.000 0.520 320 T N 0.511 115.111 114.554 0.076 0.000 2.867 320 T HA 0.740 5.090 4.350 -0.000 0.000 0.282 320 T C 0.608 175.306 174.700 -0.003 0.000 1.000 320 T CA 0.568 62.694 62.100 0.044 0.000 1.042 320 T CB 1.543 70.479 68.868 0.113 0.000 0.973 320 T HN 1.764 nan 8.240 nan 0.000 0.465 321 G N 0.781 109.552 108.800 -0.049 0.000 2.667 321 G HA2 0.605 4.565 3.960 -0.000 0.000 0.298 321 G HA3 0.605 4.565 3.960 -0.000 0.000 0.298 321 G C -1.669 173.200 174.900 -0.052 0.000 1.377 321 G CA -0.461 44.621 45.100 -0.030 0.000 0.964 321 G HN 0.670 nan 8.290 nan 0.000 0.493 322 V N 2.834 122.726 119.914 -0.036 0.000 2.409 322 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 322 V C -0.396 175.690 176.094 -0.014 0.000 1.020 322 V CA -0.878 61.401 62.300 -0.034 0.000 0.848 322 V CB 1.520 33.322 31.823 -0.036 0.000 0.990 322 V HN 0.584 nan 8.190 nan 0.000 0.430 323 I N 3.979 124.565 120.570 0.026 0.000 2.342 323 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 323 I C 0.467 176.657 176.117 0.122 0.000 1.010 323 I CA 0.297 61.644 61.300 0.079 0.000 1.308 323 I CB 1.242 39.364 38.000 0.203 0.000 1.400 323 I HN 0.529 nan 8.210 nan 0.000 0.488 324 T N 5.472 120.078 114.554 0.086 0.000 2.792 324 T HA 0.257 4.607 4.350 -0.000 0.000 0.280 324 T C -0.113 174.681 174.700 0.156 0.000 0.990 324 T CA -0.458 61.714 62.100 0.120 0.000 0.960 324 T CB 1.534 70.429 68.868 0.046 0.000 0.939 324 T HN 0.422 nan 8.240 nan 0.000 0.439 325 E N 2.105 122.456 120.200 0.252 0.000 2.070 325 E HA 0.292 4.642 4.350 -0.000 0.000 0.261 325 E C 1.065 177.743 176.600 0.131 0.000 0.926 325 E CA -0.478 56.036 56.400 0.191 0.000 0.760 325 E CB 0.436 30.248 29.700 0.187 0.000 1.133 325 E HN 0.658 nan 8.360 nan 0.000 0.420 326 T N 2.240 116.839 114.554 0.076 0.000 3.129 326 T HA 0.103 4.453 4.350 -0.000 0.000 0.251 326 T C 1.116 175.804 174.700 -0.021 0.000 1.117 326 T CA 0.100 62.220 62.100 0.034 0.000 1.034 326 T CB -0.061 68.820 68.868 0.021 0.000 0.968 326 T HN 0.357 nan 8.240 nan 0.000 0.526 327 I N -0.538 120.007 120.570 -0.041 0.000 2.900 327 I HA 0.410 4.580 4.170 -0.000 0.000 0.251 327 I C 0.231 176.088 176.117 -0.434 0.000 1.102 327 I CA -0.140 61.021 61.300 -0.231 0.000 1.457 327 I CB -0.646 37.228 38.000 -0.210 0.000 1.285 327 I HN 0.201 nan 8.210 nan 0.000 0.459 328 F N 1.478 121.429 119.950 0.001 0.000 2.443 328 F HA 0.307 4.834 4.527 -0.000 0.000 0.335 328 F C 1.706 177.516 175.800 0.016 0.000 1.104 328 F CA -0.554 57.442 58.000 -0.008 0.000 1.013 328 F CB 1.310 40.282 39.000 -0.046 0.000 1.136 328 F HN -0.051 nan 8.300 nan 0.000 0.470 329 E N 1.159 121.477 120.200 0.198 0.000 1.983 329 E HA -0.235 4.115 4.350 -0.000 0.000 0.208 329 E C 0.609 177.347 176.600 0.230 0.000 1.006 329 E CA 1.085 57.590 56.400 0.175 0.000 0.872 329 E CB -0.197 29.583 29.700 0.134 0.000 0.806 329 E HN 0.395 nan 8.360 nan 0.000 0.510 330 N N 1.147 119.962 118.700 0.192 0.000 3.188 330 N HA 0.002 4.742 4.740 -0.000 0.000 0.279 330 N C -0.546 175.026 175.510 0.103 0.000 1.213 330 N CA 0.099 53.273 53.050 0.208 0.000 1.138 330 N CB -0.042 38.532 38.487 0.146 0.000 1.417 330 N HN 0.050 nan 8.380 nan 0.000 0.526 331 R N 1.870 122.327 120.500 -0.071 0.000 3.585 331 R HA 0.200 4.540 4.340 -0.000 0.000 0.324 331 R C -0.684 175.324 176.300 -0.487 0.000 1.372 331 R CA -0.107 55.837 56.100 -0.260 0.000 1.291 331 R CB -0.269 29.872 30.300 -0.264 0.000 1.470 331 R HN 0.185 nan 8.270 nan 0.000 0.633 332 F N -0.072 119.915 119.950 0.062 0.000 2.811 332 F HA 0.204 4.731 4.527 -0.000 0.000 0.342 332 F C 0.850 176.508 175.800 -0.236 0.000 1.203 332 F CA -0.552 57.363 58.000 -0.142 0.000 1.173 332 F CB 0.886 39.796 39.000 -0.150 0.000 1.094 332 F HN 0.131 nan 8.300 nan 0.000 0.510 333 M N 0.256 119.894 119.600 0.064 0.000 2.700 333 M HA -0.083 4.397 4.480 -0.000 0.000 0.249 333 M C 2.233 178.548 176.300 0.026 0.000 1.082 333 M CA 1.093 56.413 55.300 0.032 0.000 1.077 333 M CB -1.462 31.155 32.600 0.030 0.000 1.477 333 M HN 0.385 nan 8.290 nan 0.000 0.529 334 H N -1.317 117.783 119.070 0.050 0.000 2.482 334 H HA 0.137 4.693 4.556 -0.000 0.000 0.286 334 H C 1.907 177.270 175.328 0.058 0.000 1.017 334 H CA 0.778 56.847 56.048 0.036 0.000 1.322 334 H CB -1.007 28.770 29.762 0.025 0.000 1.426 334 H HN 0.208 nan 8.280 nan 0.000 0.546 335 V N 2.350 122.058 119.914 -0.344 0.000 2.287 335 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 335 V C -0.301 175.766 176.094 -0.045 0.000 1.053 335 V CA 2.089 64.289 62.300 -0.166 0.000 1.027 335 V CB -1.487 30.226 31.823 -0.184 0.000 0.646 335 V HN 0.397 nan 8.190 nan 0.000 0.447 336 P HA -0.103 nan 4.420 nan 0.000 0.216 336 P C 1.637 178.943 177.300 0.011 0.000 1.153 336 P CA 1.152 64.249 63.100 -0.005 0.000 0.848 336 P CB -0.047 31.652 31.700 -0.002 0.000 0.787 337 E N -0.373 119.839 120.200 0.019 0.000 2.110 337 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 337 E C 2.119 178.737 176.600 0.030 0.000 0.988 337 E CA 0.954 57.370 56.400 0.027 0.000 0.804 337 E CB -0.840 28.882 29.700 0.036 0.000 0.745 337 E HN 0.330 nan 8.360 nan 0.000 0.458 338 L N 0.293 121.539 121.223 0.038 0.000 2.093 338 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 338 L C 2.510 179.394 176.870 0.023 0.000 1.085 338 L CA 0.591 55.453 54.840 0.036 0.000 0.755 338 L CB -0.285 41.810 42.059 0.060 0.000 0.904 338 L HN 0.070 nan 8.230 nan 0.000 0.435 339 I N 0.128 120.714 120.570 0.026 0.000 2.286 339 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 339 I C 2.664 178.799 176.117 0.029 0.000 1.115 339 I CA 1.170 62.490 61.300 0.034 0.000 1.392 339 I CB -0.230 37.794 38.000 0.042 0.000 1.065 339 I HN 0.316 nan 8.210 nan 0.000 0.418 340 R N 0.799 121.313 120.500 0.023 0.000 2.285 340 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 340 R C 1.555 177.863 176.300 0.013 0.000 1.068 340 R CA 0.954 57.066 56.100 0.020 0.000 1.004 340 R CB -0.501 29.810 30.300 0.018 0.000 0.873 340 R HN 0.360 nan 8.270 nan 0.000 0.467 341 M N 0.665 120.270 119.600 0.008 0.000 2.505 341 M HA 0.220 4.700 4.480 -0.000 0.000 0.230 341 M C 0.405 176.693 176.300 -0.020 0.000 1.153 341 M CA 0.608 55.907 55.300 -0.003 0.000 0.997 341 M CB 1.132 33.731 32.600 -0.002 0.000 1.606 341 M HN 0.554 nan 8.290 nan 0.000 0.481 342 G N 0.742 109.530 108.800 -0.020 0.000 2.141 342 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.231 342 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.231 342 G C 0.069 174.875 174.900 -0.158 0.000 0.984 342 G CA -0.018 45.047 45.100 -0.057 0.000 0.660 342 G HN 0.650 nan 8.290 nan 0.000 0.525 343 A N 0.528 123.294 122.820 -0.090 0.000 2.354 343 A HA 0.650 4.970 4.320 -0.000 0.000 0.269 343 A C 0.060 177.637 177.584 -0.011 0.000 1.109 343 A CA -0.325 51.650 52.037 -0.104 0.000 0.800 343 A CB 0.265 19.255 19.000 -0.018 0.000 1.045 343 A HN 0.447 nan 8.150 nan 0.000 0.489 344 H N 0.913 120.022 119.070 0.065 0.000 2.641 344 H HA 0.633 5.189 4.556 -0.000 0.000 0.295 344 H C 0.030 175.437 175.328 0.132 0.000 1.070 344 H CA 0.161 56.269 56.048 0.101 0.000 1.257 344 H CB 0.799 30.635 29.762 0.123 0.000 1.393 344 H HN 0.839 nan 8.280 nan 0.000 0.464 345 A N 2.948 125.893 122.820 0.209 0.000 2.549 345 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 345 A C -0.911 176.711 177.584 0.063 0.000 1.061 345 A CA -0.859 51.235 52.037 0.096 0.000 0.690 345 A CB 1.738 20.755 19.000 0.028 0.000 1.287 345 A HN 0.523 nan 8.150 nan 0.000 0.402 346 E N 0.891 121.098 120.200 0.013 0.000 2.224 346 E HA 0.554 4.904 4.350 -0.000 0.000 0.265 346 E C -1.024 175.523 176.600 -0.089 0.000 0.878 346 E CA -0.173 56.220 56.400 -0.012 0.000 0.759 346 E CB 1.934 31.651 29.700 0.027 0.000 1.164 346 E HN 0.551 nan 8.360 nan 0.000 0.414 347 I N 2.291 122.790 120.570 -0.119 0.000 2.365 347 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 347 I C -0.096 175.921 176.117 -0.166 0.000 1.004 347 I CA -0.323 60.848 61.300 -0.215 0.000 1.311 347 I CB 1.149 39.004 38.000 -0.242 0.000 1.401 347 I HN 0.457 nan 8.210 nan 0.000 0.491 348 E N 4.762 124.847 120.200 -0.192 0.000 2.580 348 E HA 0.373 4.723 4.350 -0.000 0.000 0.248 348 E C -0.415 176.107 176.600 -0.130 0.000 1.018 348 E CA 0.001 56.327 56.400 -0.122 0.000 0.775 348 E CB 0.837 30.489 29.700 -0.081 0.000 1.378 348 E HN 0.718 nan 8.360 nan 0.000 0.401 349 S N 2.403 118.035 115.700 -0.114 0.000 4.074 349 S HA -0.347 4.123 4.470 -0.000 0.000 0.626 349 S C 0.602 175.145 174.600 -0.094 0.000 1.989 349 S CA 1.196 59.352 58.200 -0.073 0.000 4.158 349 S CB -1.112 62.067 63.200 -0.034 0.000 0.211 349 S HN 0.810 nan 8.310 nan 0.000 0.599 350 N N 1.355 120.048 118.700 -0.011 0.000 2.389 350 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 350 N C -0.356 175.190 175.510 0.059 0.000 1.148 350 N CA 0.115 53.239 53.050 0.123 0.000 0.854 350 N CB 0.431 39.015 38.487 0.162 0.000 1.115 350 N HN 0.358 nan 8.380 nan 0.000 0.492 351 T N 0.067 114.481 114.554 -0.234 0.000 2.896 351 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 351 T C -1.579 172.844 174.700 -0.462 0.000 1.108 351 T CA -0.664 61.300 62.100 -0.227 0.000 1.004 351 T CB 2.576 71.382 68.868 -0.102 0.000 1.159 351 T HN -0.024 nan 8.240 nan 0.000 0.499 352 V N 3.599 123.346 119.914 -0.277 0.000 2.524 352 V HA 0.602 4.722 4.120 -0.000 0.000 0.297 352 V C -1.466 174.554 176.094 -0.122 0.000 1.035 352 V CA -0.778 61.378 62.300 -0.240 0.000 0.867 352 V CB 0.979 32.696 31.823 -0.177 0.000 1.004 352 V HN 0.764 nan 8.190 nan 0.000 0.426 353 I N 7.026 127.513 120.570 -0.139 0.000 2.371 353 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 353 I C 0.209 176.150 176.117 -0.293 0.000 1.028 353 I CA 0.346 61.533 61.300 -0.188 0.000 1.345 353 I CB 0.834 38.736 38.000 -0.164 0.000 1.407 353 I HN 0.553 nan 8.210 nan 0.000 0.501 354 C N 5.712 124.822 119.300 -0.317 0.000 2.303 354 C HA 0.438 4.898 4.460 -0.000 0.000 0.326 354 C C -0.114 174.637 174.990 -0.400 0.000 1.285 354 C CA -0.714 58.143 59.018 -0.268 0.000 1.675 354 C CB -0.001 27.690 27.740 -0.082 0.000 2.289 354 C HN 0.604 nan 8.230 nan 0.000 0.512 355 H N 1.653 120.763 119.070 0.066 0.000 2.632 355 H HA 0.281 4.837 4.556 -0.000 0.000 0.258 355 H C 0.695 176.064 175.328 0.070 0.000 1.278 355 H CA -0.025 56.069 56.048 0.077 0.000 1.352 355 H CB 0.875 30.704 29.762 0.112 0.000 1.418 355 H HN 0.965 nan 8.280 nan 0.000 0.513 356 G N 1.991 110.858 108.800 0.111 0.000 2.287 356 G HA2 0.225 4.185 3.960 -0.000 0.000 0.235 356 G HA3 0.225 4.185 3.960 -0.000 0.000 0.235 356 G C 0.561 175.495 174.900 0.057 0.000 1.258 356 G CA -0.020 45.116 45.100 0.061 0.000 0.884 356 G HN 0.426 nan 8.290 nan 0.000 0.518 357 V N 0.233 120.147 119.914 -0.001 0.000 3.019 357 V HA 0.555 4.675 4.120 -0.000 0.000 0.317 357 V C 1.081 177.163 176.094 -0.021 0.000 1.094 357 V CA -0.667 61.616 62.300 -0.030 0.000 1.000 357 V CB 1.945 33.680 31.823 -0.147 0.000 1.060 357 V HN 0.810 nan 8.190 nan 0.000 0.443 358 E N 0.842 121.034 120.200 -0.014 0.000 2.031 358 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 358 E C 0.777 177.365 176.600 -0.020 0.000 0.994 358 E CA 1.732 58.127 56.400 -0.009 0.000 0.800 358 E CB 0.191 29.890 29.700 -0.002 0.000 0.752 358 E HN 0.700 nan 8.360 nan 0.000 0.447 359 K N -0.571 119.810 120.400 -0.032 0.000 2.532 359 K HA 0.341 4.661 4.320 -0.000 0.000 0.265 359 K C -1.436 175.136 176.600 -0.047 0.000 0.948 359 K CA -0.586 55.681 56.287 -0.033 0.000 0.842 359 K CB 1.220 33.707 32.500 -0.021 0.000 1.392 359 K HN -0.048 nan 8.250 nan 0.000 0.436 360 L N 1.340 122.539 121.223 -0.040 0.000 2.375 360 L HA 0.451 4.791 4.340 -0.000 0.000 0.268 360 L C -0.165 176.689 176.870 -0.027 0.000 1.058 360 L CA -0.859 53.957 54.840 -0.041 0.000 0.803 360 L CB 1.929 43.968 42.059 -0.033 0.000 1.212 360 L HN 0.576 nan 8.230 nan 0.000 0.451 361 S N -0.083 115.604 115.700 -0.023 0.000 2.472 361 S HA 0.493 4.963 4.470 -0.000 0.000 0.303 361 S C 0.226 174.823 174.600 -0.006 0.000 1.099 361 S CA -0.682 57.511 58.200 -0.012 0.000 1.077 361 S CB 1.726 64.921 63.200 -0.008 0.000 1.031 361 S HN 0.785 nan 8.310 nan 0.000 0.487 362 G N 1.480 110.278 108.800 -0.003 0.000 2.562 362 G HA2 0.471 4.431 3.960 -0.000 0.000 0.233 362 G HA3 0.471 4.431 3.960 -0.000 0.000 0.233 362 G C -0.174 174.729 174.900 0.005 0.000 1.266 362 G CA 0.312 45.413 45.100 0.001 0.000 0.852 362 G HN 1.084 nan 8.290 nan 0.000 0.581 363 A N 0.928 123.754 122.820 0.009 0.000 2.544 363 A HA 0.607 4.926 4.320 -0.000 0.000 0.291 363 A C -0.692 176.901 177.584 0.016 0.000 1.055 363 A CA -0.706 51.338 52.037 0.012 0.000 0.651 363 A CB 0.776 19.782 19.000 0.011 0.000 1.296 363 A HN 0.645 nan 8.150 nan 0.000 0.431 364 Q N 0.460 120.270 119.800 0.017 0.000 2.296 364 Q HA 0.528 4.868 4.340 -0.000 0.000 0.257 364 Q C -0.353 175.659 176.000 0.020 0.000 0.942 364 Q CA -0.459 55.356 55.803 0.019 0.000 0.939 364 Q CB 1.626 30.375 28.738 0.018 0.000 1.198 364 Q HN 1.118 nan 8.270 nan 0.000 0.429 365 V N -0.169 119.759 119.914 0.022 0.000 3.130 365 V HA 0.806 4.926 4.120 -0.000 0.000 0.310 365 V C -0.801 175.306 176.094 0.021 0.000 1.158 365 V CA -1.029 61.284 62.300 0.022 0.000 1.029 365 V CB 2.648 34.485 31.823 0.023 0.000 1.057 365 V HN 0.773 nan 8.190 nan 0.000 0.436 366 M N 1.909 121.520 119.600 0.019 0.000 2.471 366 M HA 0.875 5.355 4.480 -0.000 0.000 0.284 366 M C -1.807 174.497 176.300 0.007 0.000 1.203 366 M CA -0.035 55.273 55.300 0.014 0.000 0.915 366 M CB 1.960 34.571 32.600 0.019 0.000 1.734 366 M HN 1.714 nan 8.290 nan 0.000 0.485 367 A N 1.545 124.360 122.820 -0.008 0.000 2.547 367 A HA 0.596 4.916 4.320 -0.000 0.000 0.297 367 A C 0.217 177.723 177.584 -0.130 0.000 1.056 367 A CA 0.210 52.222 52.037 -0.042 0.000 0.688 367 A CB 1.072 20.058 19.000 -0.023 0.000 1.282 367 A HN 0.978 nan 8.150 nan 0.000 0.400 368 T N -1.468 112.945 114.554 -0.235 0.000 3.035 368 T HA 0.077 4.427 4.350 -0.000 0.000 0.259 368 T C 0.486 174.766 174.700 -0.700 0.000 1.078 368 T CA 1.240 62.963 62.100 -0.629 0.000 1.132 368 T CB -0.438 68.180 68.868 -0.418 0.000 0.900 368 T HN 0.685 nan 8.240 nan 0.000 0.480 369 D N 0.871 121.071 120.400 -0.333 0.000 2.390 369 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 369 D C 1.243 177.434 176.300 -0.183 0.000 1.144 369 D CA -0.477 53.375 54.000 -0.246 0.000 0.880 369 D CB 0.858 41.560 40.800 -0.163 0.000 1.182 369 D HN 0.040 nan 8.370 nan 0.000 0.451 370 L N 4.914 126.063 121.223 -0.123 0.000 1.997 370 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 370 L C 1.895 178.774 176.870 0.014 0.000 1.074 370 L CA 1.834 56.673 54.840 -0.003 0.000 0.763 370 L CB -0.458 41.634 42.059 0.056 0.000 0.890 370 L HN 0.477 nan 8.230 nan 0.000 0.434 371 R N -0.013 120.480 120.500 -0.011 0.000 2.115 371 R HA 0.099 4.439 4.340 -0.000 0.000 0.226 371 R C 2.225 178.465 176.300 -0.099 0.000 1.100 371 R CA 1.223 57.309 56.100 -0.022 0.000 0.980 371 R CB -1.506 28.770 30.300 -0.040 0.000 0.875 371 R HN 0.551 nan 8.270 nan 0.000 0.445 372 A N 0.458 123.208 122.820 -0.116 0.000 1.930 372 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 372 A C 2.422 179.968 177.584 -0.063 0.000 1.175 372 A CA 1.791 53.764 52.037 -0.106 0.000 0.627 372 A CB -0.535 18.455 19.000 -0.016 0.000 0.815 372 A HN 0.304 nan 8.150 nan 0.000 0.443 373 S N -0.458 115.201 115.700 -0.068 0.000 2.355 373 S HA -0.023 4.447 4.470 -0.000 0.000 0.222 373 S C 2.216 176.767 174.600 -0.082 0.000 1.031 373 S CA 1.439 59.606 58.200 -0.054 0.000 0.993 373 S CB -0.454 62.720 63.200 -0.044 0.000 0.859 373 S HN 0.797 nan 8.310 nan 0.000 0.453 374 A N 0.612 123.342 122.820 -0.151 0.000 1.978 374 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 374 A C 2.321 179.783 177.584 -0.204 0.000 1.170 374 A CA 2.071 53.944 52.037 -0.274 0.000 0.636 374 A CB -0.887 17.818 19.000 -0.492 0.000 0.810 374 A HN 0.558 nan 8.150 nan 0.000 0.448 375 S N -0.234 115.379 115.700 -0.145 0.000 2.406 375 S HA 0.000 4.470 4.470 -0.000 0.000 0.228 375 S C 1.718 176.274 174.600 -0.073 0.000 1.020 375 S CA 1.096 59.227 58.200 -0.115 0.000 0.965 375 S CB -0.339 62.796 63.200 -0.109 0.000 0.798 375 S HN 0.537 nan 8.310 nan 0.000 0.488 376 L N 0.944 122.139 121.223 -0.048 0.000 2.093 376 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 376 L C 2.252 179.107 176.870 -0.025 0.000 1.085 376 L CA 0.736 55.566 54.840 -0.016 0.000 0.755 376 L CB -0.654 41.408 42.059 0.005 0.000 0.904 376 L HN 0.202 nan 8.230 nan 0.000 0.435 377 V N 0.255 120.144 119.914 -0.043 0.000 2.343 377 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 377 V C 2.384 178.426 176.094 -0.087 0.000 1.051 377 V CA 1.534 63.802 62.300 -0.054 0.000 1.036 377 V CB -0.350 31.423 31.823 -0.084 0.000 0.654 377 V HN 0.351 nan 8.190 nan 0.000 0.451 378 L N 0.062 121.219 121.223 -0.109 0.000 2.056 378 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 378 L C 2.791 179.619 176.870 -0.070 0.000 1.078 378 L CA 1.440 56.217 54.840 -0.105 0.000 0.749 378 L CB -0.925 41.057 42.059 -0.129 0.000 0.901 378 L HN 0.350 nan 8.230 nan 0.000 0.433 379 A N 0.729 123.517 122.820 -0.055 0.000 1.908 379 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 379 A C 2.410 179.976 177.584 -0.029 0.000 1.181 379 A CA 1.949 53.965 52.037 -0.035 0.000 0.627 379 A CB -1.343 17.647 19.000 -0.017 0.000 0.818 379 A HN 0.451 nan 8.150 nan 0.000 0.445 380 G N -1.181 107.603 108.800 -0.027 0.000 2.432 380 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 380 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 380 G C 1.489 176.372 174.900 -0.028 0.000 1.135 380 G CA 1.266 46.354 45.100 -0.020 0.000 0.767 380 G HN 0.544 nan 8.290 nan 0.000 0.550 381 C N 0.578 119.853 119.300 -0.042 0.000 2.432 381 C HA 0.091 4.551 4.460 -0.000 0.000 0.280 381 C C 2.467 177.438 174.990 -0.032 0.000 1.353 381 C CA 0.818 59.811 59.018 -0.042 0.000 1.766 381 C CB -0.911 26.798 27.740 -0.052 0.000 1.924 381 C HN 0.672 nan 8.230 nan 0.000 0.509 382 I N -1.865 118.686 120.570 -0.032 0.000 4.082 382 I HA 0.427 4.597 4.170 -0.000 0.000 0.337 382 I C 0.906 177.009 176.117 -0.023 0.000 1.352 382 I CA -0.182 61.102 61.300 -0.027 0.000 1.097 382 I CB -0.301 37.680 38.000 -0.031 0.000 1.048 382 I HN 0.022 nan 8.210 nan 0.000 0.393 383 A N 1.670 124.477 122.820 -0.022 0.000 2.304 383 A HA 0.398 4.718 4.320 -0.000 0.000 0.271 383 A C -0.119 177.457 177.584 -0.014 0.000 1.091 383 A CA -0.199 51.827 52.037 -0.018 0.000 0.812 383 A CB 0.421 19.411 19.000 -0.015 0.000 1.056 383 A HN 0.401 nan 8.150 nan 0.000 0.489 384 E N 0.300 120.493 120.200 -0.012 0.000 2.257 384 E HA 0.475 4.824 4.350 -0.000 0.000 0.278 384 E C 0.761 177.357 176.600 -0.005 0.000 1.049 384 E CA 1.462 57.857 56.400 -0.008 0.000 0.876 384 E CB 0.072 29.768 29.700 -0.008 0.000 1.035 384 E HN 1.608 nan 8.360 nan 0.000 0.419 385 G N 3.168 111.966 108.800 -0.004 0.000 2.482 385 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.214 385 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.214 385 G C -0.551 174.349 174.900 0.000 0.000 1.271 385 G CA -0.353 44.746 45.100 -0.001 0.000 0.944 385 G HN 0.642 nan 8.290 nan 0.000 0.568 386 T N 1.355 115.912 114.554 0.004 0.000 2.799 386 T HA 0.669 5.019 4.350 -0.000 0.000 0.286 386 T C -0.080 174.627 174.700 0.011 0.000 0.973 386 T CA 0.445 62.550 62.100 0.008 0.000 1.035 386 T CB 1.470 70.344 68.868 0.011 0.000 0.932 386 T HN 0.746 nan 8.240 nan 0.000 0.469 387 T N 2.645 117.208 114.554 0.015 0.000 2.861 387 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 387 T C -0.695 174.026 174.700 0.035 0.000 1.003 387 T CA -0.538 61.574 62.100 0.020 0.000 0.977 387 T CB 1.376 70.253 68.868 0.014 0.000 0.996 387 T HN 0.335 nan 8.240 nan 0.000 0.448 388 V N 3.550 123.487 119.914 0.037 0.000 2.443 388 V HA 0.418 4.538 4.120 -0.000 0.000 0.293 388 V C -0.353 175.771 176.094 0.049 0.000 1.021 388 V CA -0.815 61.515 62.300 0.050 0.000 0.848 388 V CB 1.704 33.549 31.823 0.038 0.000 0.998 388 V HN 0.725 nan 8.190 nan 0.000 0.424 389 V N 3.758 123.716 119.914 0.073 0.000 2.350 389 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 389 V C 0.000 176.108 176.094 0.023 0.000 1.028 389 V CA -0.317 62.019 62.300 0.059 0.000 0.860 389 V CB 1.482 33.364 31.823 0.098 0.000 0.990 389 V HN 0.898 nan 8.190 nan 0.000 0.453 390 D N 3.394 123.798 120.400 0.006 0.000 2.387 390 D HA 0.385 5.025 4.640 -0.000 0.000 0.251 390 D C 0.709 176.987 176.300 -0.036 0.000 1.141 390 D CA -0.428 53.564 54.000 -0.014 0.000 0.987 390 D CB 0.647 41.451 40.800 0.008 0.000 1.116 390 D HN 0.482 nan 8.370 nan 0.000 0.491 391 R N 0.807 121.286 120.500 -0.035 0.000 3.322 391 R HA -0.175 4.165 4.340 -0.000 0.000 0.253 391 R C 1.140 177.282 176.300 -0.264 0.000 0.987 391 R CA 0.687 56.740 56.100 -0.078 0.000 0.666 391 R CB -2.180 28.092 30.300 -0.047 0.000 1.072 391 R HN 0.561 nan 8.270 nan 0.000 0.447 392 I N -2.365 118.069 120.570 -0.226 0.000 3.334 392 I HA -0.186 3.984 4.170 -0.000 0.000 0.282 392 I C 1.992 177.965 176.117 -0.240 0.000 1.313 392 I CA 0.690 61.826 61.300 -0.273 0.000 1.396 392 I CB -0.498 37.167 38.000 -0.558 0.000 1.054 392 I HN 0.321 nan 8.210 nan 0.000 0.495 393 Y N 0.036 120.191 120.300 -0.240 0.000 2.403 393 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 393 Y C 2.342 178.145 175.900 -0.163 0.000 1.143 393 Y CA 0.976 58.949 58.100 -0.213 0.000 1.257 393 Y CB -1.414 36.898 38.460 -0.247 0.000 0.984 393 Y HN 0.159 nan 8.280 nan 0.000 0.550 394 H N 0.758 119.505 119.070 -0.537 0.000 2.387 394 H HA -0.105 4.450 4.556 -0.000 0.000 0.299 394 H C 2.225 177.511 175.328 -0.070 0.000 1.090 394 H CA 1.967 57.828 56.048 -0.313 0.000 1.332 394 H CB -0.156 29.382 29.762 -0.372 0.000 1.386 394 H HN 0.483 nan 8.280 nan 0.000 0.516 395 I N 0.650 121.251 120.570 0.052 0.000 2.286 395 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 395 I C 1.930 178.164 176.117 0.194 0.000 1.104 395 I CA 0.906 62.278 61.300 0.120 0.000 1.397 395 I CB -0.105 37.922 38.000 0.045 0.000 1.072 395 I HN 0.035 nan 8.210 nan 0.000 0.417 396 D N 0.721 121.197 120.400 0.127 0.000 2.221 396 D HA -0.216 4.424 4.640 -0.000 0.000 0.204 396 D C 2.154 178.541 176.300 0.144 0.000 0.982 396 D CA 0.992 55.078 54.000 0.143 0.000 0.857 396 D CB -0.284 40.573 40.800 0.095 0.000 0.934 396 D HN 0.355 nan 8.370 nan 0.000 0.475 397 R N 0.262 120.847 120.500 0.141 0.000 2.240 397 R HA 0.014 4.354 4.340 -0.000 0.000 0.203 397 R C 1.691 178.056 176.300 0.107 0.000 1.011 397 R CA 1.154 57.325 56.100 0.118 0.000 1.007 397 R CB 0.121 30.496 30.300 0.125 0.000 0.911 397 R HN 0.137 nan 8.270 nan 0.000 0.468 398 G N -0.933 107.956 108.800 0.149 0.000 2.833 398 G HA2 0.095 4.055 3.960 -0.000 0.000 0.214 398 G HA3 0.095 4.055 3.960 -0.000 0.000 0.214 398 G C -0.550 174.336 174.900 -0.022 0.000 1.075 398 G CA -0.173 44.969 45.100 0.071 0.000 0.799 398 G HN 0.126 nan 8.290 nan 0.000 0.541 399 Y N 0.322 120.662 120.300 0.067 0.000 2.376 399 Y HA 0.457 5.007 4.550 -0.000 0.000 0.340 399 Y C -0.149 175.810 175.900 0.099 0.000 0.965 399 Y CA -1.495 56.657 58.100 0.087 0.000 1.078 399 Y CB 1.924 40.439 38.460 0.092 0.000 1.193 399 Y HN -0.013 nan 8.280 nan 0.000 0.452 400 E N 4.007 124.339 120.200 0.220 0.000 2.029 400 E HA 0.193 4.543 4.350 -0.000 0.000 0.276 400 E C -0.403 176.309 176.600 0.188 0.000 1.163 400 E CA -0.242 56.254 56.400 0.161 0.000 0.909 400 E CB 0.086 29.846 29.700 0.102 0.000 1.046 400 E HN 0.557 nan 8.360 nan 0.000 0.406 401 R N 3.615 124.224 120.500 0.182 0.000 2.800 401 R HA -0.231 4.109 4.340 -0.000 0.000 0.246 401 R C 1.046 177.451 176.300 0.175 0.000 0.855 401 R CA 0.207 56.412 56.100 0.175 0.000 0.631 401 R CB -1.216 29.158 30.300 0.124 0.000 1.386 401 R HN 0.759 nan 8.270 nan 0.000 0.519 402 I N 1.232 121.927 120.570 0.208 0.000 2.454 402 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 402 I C 2.116 178.250 176.117 0.028 0.000 1.156 402 I CA 1.998 63.402 61.300 0.173 0.000 1.433 402 I CB 0.058 38.086 38.000 0.047 0.000 1.082 402 I HN 0.550 nan 8.210 nan 0.000 0.432 403 E N -0.119 120.038 120.200 -0.071 0.000 2.150 403 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 403 E C 1.423 177.976 176.600 -0.079 0.000 0.985 403 E CA 1.350 57.608 56.400 -0.237 0.000 0.814 403 E CB -0.347 29.158 29.700 -0.325 0.000 0.752 403 E HN 0.444 nan 8.360 nan 0.000 0.466 404 D N 1.375 121.775 120.400 0.000 0.000 2.149 404 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 404 D C 1.719 178.015 176.300 -0.007 0.000 0.972 404 D CA 1.049 55.050 54.000 0.002 0.000 0.835 404 D CB -0.057 40.755 40.800 0.021 0.000 0.966 404 D HN 0.209 nan 8.370 nan 0.000 0.476 405 K N 0.261 120.671 120.400 0.017 0.000 2.057 405 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 405 K C 2.315 178.919 176.600 0.006 0.000 1.050 405 K CA 0.476 56.743 56.287 -0.034 0.000 0.935 405 K CB -0.088 32.381 32.500 -0.051 0.000 0.715 405 K HN 0.115 nan 8.250 nan 0.000 0.439 406 L N 0.630 121.911 121.223 0.096 0.000 2.046 406 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 406 L C 2.754 179.624 176.870 -0.000 0.000 1.077 406 L CA 1.208 56.097 54.840 0.082 0.000 0.747 406 L CB -0.356 41.702 42.059 -0.002 0.000 0.896 406 L HN 0.202 nan 8.230 nan 0.000 0.432 407 R N 0.286 120.766 120.500 -0.033 0.000 2.105 407 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 407 R C 2.213 178.495 176.300 -0.030 0.000 1.135 407 R CA 1.426 57.504 56.100 -0.038 0.000 0.967 407 R CB -0.213 30.062 30.300 -0.041 0.000 0.861 407 R HN 0.349 nan 8.270 nan 0.000 0.442 408 A N 0.433 123.233 122.820 -0.034 0.000 2.121 408 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 408 A C 1.884 179.444 177.584 -0.041 0.000 1.154 408 A CA 0.842 52.854 52.037 -0.042 0.000 0.679 408 A CB -0.197 18.768 19.000 -0.059 0.000 0.795 408 A HN 0.353 nan 8.150 nan 0.000 0.458 409 L N -1.948 119.258 121.223 -0.029 0.000 2.592 409 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 409 L C 1.694 178.557 176.870 -0.012 0.000 1.127 409 L CA 0.619 55.449 54.840 -0.016 0.000 0.884 409 L CB 0.132 42.202 42.059 0.019 0.000 1.065 409 L HN 0.564 nan 8.230 nan 0.000 0.457 410 G N -0.509 108.281 108.800 -0.017 0.000 2.284 410 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.201 410 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.201 410 G C 0.485 175.372 174.900 -0.021 0.000 0.998 410 G CA -0.185 44.904 45.100 -0.018 0.000 0.651 410 G HN 0.393 nan 8.290 nan 0.000 0.489 411 A N 0.045 122.850 122.820 -0.025 0.000 2.507 411 A HA 0.528 4.848 4.320 -0.000 0.000 0.235 411 A C 0.295 177.854 177.584 -0.042 0.000 1.070 411 A CA 0.922 52.937 52.037 -0.037 0.000 0.768 411 A CB 0.001 18.969 19.000 -0.054 0.000 1.011 411 A HN 0.603 nan 8.150 nan 0.000 0.502 412 N N 0.514 119.190 118.700 -0.041 0.000 2.609 412 N HA 0.514 5.254 4.740 -0.000 0.000 0.234 412 N C -0.909 174.573 175.510 -0.047 0.000 1.001 412 N CA 0.011 53.041 53.050 -0.034 0.000 0.926 412 N CB 1.182 39.656 38.487 -0.021 0.000 1.130 412 N HN 0.653 nan 8.380 nan 0.000 0.510 413 I N 0.640 121.171 120.570 -0.065 0.000 2.686 413 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 413 I C -1.425 174.662 176.117 -0.050 0.000 1.114 413 I CA -0.714 60.529 61.300 -0.094 0.000 1.038 413 I CB 2.004 39.868 38.000 -0.226 0.000 1.238 413 I HN 0.237 nan 8.210 nan 0.000 0.420 414 E N 6.296 126.509 120.200 0.022 0.000 2.272 414 E HA 0.400 4.750 4.350 -0.000 0.000 0.269 414 E C -1.342 175.407 176.600 0.250 0.000 0.877 414 E CA -0.698 55.760 56.400 0.096 0.000 0.755 414 E CB 1.665 31.407 29.700 0.069 0.000 1.192 414 E HN 0.562 nan 8.360 nan 0.000 0.422 415 R N 3.439 124.105 120.500 0.277 0.000 2.254 415 R HA 0.575 4.915 4.340 -0.000 0.000 0.318 415 R C -0.819 175.555 176.300 0.124 0.000 1.031 415 R CA -0.561 55.722 56.100 0.305 0.000 0.905 415 R CB 0.670 31.142 30.300 0.286 0.000 1.050 415 R HN 0.398 nan 8.270 nan 0.000 0.456 416 V N 1.697 121.648 119.914 0.063 0.000 2.823 416 V HA 0.590 4.710 4.120 -0.000 0.000 0.312 416 V C -0.725 175.366 176.094 -0.005 0.000 1.072 416 V CA -1.117 61.201 62.300 0.031 0.000 0.937 416 V CB 2.058 33.904 31.823 0.038 0.000 1.013 416 V HN 0.690 nan 8.190 nan 0.000 0.430 417 K N 1.997 122.395 120.400 -0.003 0.000 2.836 417 K HA 0.608 4.928 4.320 -0.000 0.000 0.300 417 K C 0.845 177.439 176.600 -0.010 0.000 1.004 417 K CA -0.049 56.230 56.287 -0.013 0.000 1.140 417 K CB -0.184 32.310 32.500 -0.010 0.000 1.458 417 K HN 2.153 nan 8.250 nan 0.000 0.550 418 G N 2.925 111.718 108.800 -0.011 0.000 2.342 418 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 418 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 418 G C 0.141 175.037 174.900 -0.006 0.000 0.922 418 G CA 1.123 46.219 45.100 -0.008 0.000 1.342 418 G HN 0.707 nan 8.290 nan 0.000 0.430 419 E N 0.000 120.195 120.200 -0.009 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 419 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440