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 1eut_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIDAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDENKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMScDDGQT WPVSKVFQPG SMSYSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGIcA PFTIPDVALE PGQQVTVPVA VTNQSGIAVP KPSLQLDASP DATA SEQUENCE DWQVQGSVEP LMPGRQAKGQ VTITVPAGTT PGRYRVGATL RTSAGNASTT DATA SEQUENCE FTVTVGLLDQ ARMSIADVDS EETAREDGRA SNVIDGNPST FWHTEWSRAD DATA SEQUENCE APGYPHRISL DLGGTHTISG LQYTRRQNSA NEQVADYEIY TSLNGTTWDG DATA SEQUENCE PVASGRFTTS LAPQRAVFPA RDARYIRLVA LSEQTGHKYA AVAELEVEGQ DATA SEQUENCE R 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 4.034 3.960 0.123 0.000 0.244 47 G C 0.000 174.963 174.900 0.105 0.000 0.946 47 G CA 0.000 45.155 45.100 0.092 0.000 0.502 48 E N 1.753 122.012 120.200 0.100 0.000 2.384 48 E HA 0.330 4.754 4.350 0.123 0.000 0.266 48 E C -2.299 174.394 176.600 0.155 0.000 1.012 48 E CA -1.371 55.096 56.400 0.111 0.000 0.901 48 E CB 0.691 30.447 29.700 0.093 0.000 0.967 48 E HN 0.051 nan 8.360 nan 0.000 0.435 49 P HA 0.046 nan 4.420 nan 0.000 0.266 49 P C -0.601 176.885 177.300 0.310 0.000 1.215 49 P CA -0.056 63.220 63.100 0.294 0.000 0.763 49 P CB 0.285 32.160 31.700 0.292 0.000 0.806 50 L N 5.789 127.202 121.223 0.316 0.000 2.329 50 L HA 0.735 5.149 4.340 0.123 0.000 0.279 50 L C -1.509 175.416 176.870 0.090 0.000 1.014 50 L CA -0.714 54.240 54.840 0.190 0.000 0.814 50 L CB 1.240 43.367 42.059 0.113 0.000 1.257 50 L HN 0.305 nan 8.230 nan 0.000 0.424 51 Y N 3.286 123.493 120.300 -0.156 0.000 2.252 51 Y HA 0.462 5.068 4.550 0.094 0.000 0.318 51 Y C -1.232 174.559 175.900 -0.182 0.000 1.220 51 Y CA -0.375 57.491 58.100 -0.390 0.000 1.207 51 Y CB 1.079 38.913 38.460 -1.042 0.000 1.244 51 Y HN 0.783 nan 8.280 nan 0.000 0.404 52 T N 5.126 119.445 114.554 -0.391 0.000 2.906 52 T HA 0.785 5.209 4.350 0.123 0.000 0.295 52 T C -1.627 172.882 174.700 -0.318 0.000 1.075 52 T CA -0.374 61.620 62.100 -0.177 0.000 1.005 52 T CB 1.531 70.342 68.868 -0.095 0.000 1.136 52 T HN 0.716 nan 8.240 nan 0.000 0.498 53 E N 1.979 122.119 120.200 -0.101 0.000 2.392 53 E HA 0.601 5.025 4.350 0.123 0.000 0.279 53 E C -1.627 174.977 176.600 0.006 0.000 0.964 53 E CA -1.080 55.268 56.400 -0.087 0.000 0.777 53 E CB 1.820 31.530 29.700 0.017 0.000 1.249 53 E HN 0.700 nan 8.360 nan 0.000 0.449 54 Q N 1.217 121.026 119.800 0.015 0.000 2.418 54 Q HA 0.418 4.832 4.340 0.123 0.000 0.282 54 Q C -1.517 174.458 176.000 -0.041 0.000 1.044 54 Q CA -1.018 54.802 55.803 0.029 0.000 0.813 54 Q CB 2.073 30.872 28.738 0.101 0.000 1.428 54 Q HN 0.476 nan 8.270 nan 0.000 0.402 55 D N 2.252 122.602 120.400 -0.083 0.000 2.264 55 D HA 0.209 4.923 4.640 0.123 0.000 0.250 55 D C 0.639 176.800 176.300 -0.231 0.000 1.113 55 D CA -0.117 53.779 54.000 -0.172 0.000 0.871 55 D CB 1.736 42.440 40.800 -0.160 0.000 1.167 55 D HN 0.523 nan 8.370 nan 0.000 0.447 56 L N 0.692 121.699 121.223 -0.359 0.000 2.253 56 L HA 0.189 4.603 4.340 0.123 0.000 0.205 56 L C 0.984 177.564 176.870 -0.484 0.000 1.078 56 L CA 0.484 55.055 54.840 -0.449 0.000 0.805 56 L CB 0.077 41.776 42.059 -0.601 0.000 0.963 56 L HN 0.288 nan 8.230 nan 0.000 0.459 57 A N 0.270 122.707 122.820 -0.637 0.000 2.374 57 A HA 0.658 5.052 4.320 0.123 0.000 0.305 57 A C -1.029 176.253 177.584 -0.503 0.000 1.053 57 A CA -0.307 51.214 52.037 -0.859 0.000 0.726 57 A CB 1.723 19.777 19.000 -1.577 0.000 1.229 57 A HN -0.117 nan 8.150 nan 0.000 0.431 58 V N 3.227 122.967 119.914 -0.290 0.000 2.407 58 V HA 0.243 4.437 4.120 0.123 0.000 0.291 58 V C -0.369 175.832 176.094 0.178 0.000 1.018 58 V CA -1.197 61.073 62.300 -0.050 0.000 0.842 58 V CB 1.479 33.279 31.823 -0.039 0.000 0.996 58 V HN 0.868 nan 8.190 nan 0.000 0.426 59 N N 3.856 122.678 118.700 0.204 0.000 2.236 59 N HA 0.189 5.003 4.740 0.123 0.000 0.274 59 N C 1.237 176.825 175.510 0.129 0.000 1.339 59 N CA 1.624 54.792 53.050 0.197 0.000 0.845 59 N CB 0.735 39.269 38.487 0.080 0.000 1.091 59 N HN 1.172 nan 8.380 nan 0.000 0.489 60 G N 1.763 110.638 108.800 0.125 0.000 2.349 60 G HA2 -0.268 3.766 3.960 0.123 0.000 0.213 60 G HA3 -0.268 3.766 3.960 0.123 0.000 0.213 60 G C 0.161 175.120 174.900 0.098 0.000 1.044 60 G CA -0.341 44.802 45.100 0.071 0.000 0.633 60 G HN 0.551 nan 8.290 nan 0.000 0.506 61 R N 0.525 121.119 120.500 0.157 0.000 2.500 61 R HA 0.663 5.077 4.340 0.123 0.000 0.277 61 R C 0.722 177.154 176.300 0.221 0.000 1.026 61 R CA -0.035 56.145 56.100 0.134 0.000 1.058 61 R CB 0.506 30.858 30.300 0.087 0.000 1.078 61 R HN 0.228 nan 8.270 nan 0.000 0.509 62 E N 0.361 120.653 120.200 0.154 0.000 2.791 62 E HA -0.206 4.218 4.350 0.123 0.000 0.271 62 E C 0.593 177.331 176.600 0.231 0.000 1.044 62 E CA 1.523 58.037 56.400 0.191 0.000 0.814 62 E CB -1.549 28.273 29.700 0.203 0.000 1.400 62 E HN 0.977 nan 8.360 nan 0.000 0.423 63 G N -2.473 106.370 108.800 0.072 0.000 2.195 63 G HA2 -0.264 3.770 3.960 0.123 0.000 0.224 63 G HA3 -0.264 3.770 3.960 0.123 0.000 0.224 63 G C 0.034 174.596 174.900 -0.564 0.000 0.990 63 G CA -0.101 44.874 45.100 -0.208 0.000 0.639 63 G HN 0.253 nan 8.290 nan 0.000 0.514 64 F N 0.193 120.076 119.950 -0.111 0.000 2.588 64 F HA 0.572 5.173 4.527 0.124 0.000 0.310 64 F C -1.526 174.072 175.800 -0.338 0.000 1.082 64 F CA -1.678 56.128 58.000 -0.323 0.000 0.929 64 F CB 2.348 40.953 39.000 -0.658 0.000 1.254 64 F HN -0.173 nan 8.300 nan 0.000 0.455 65 P HA -0.009 nan 4.420 nan 0.000 0.231 65 P C -0.489 176.751 177.300 -0.100 0.000 1.168 65 P CA 0.886 63.947 63.100 -0.066 0.000 0.779 65 P CB 0.578 32.250 31.700 -0.046 0.000 0.844 66 N N -1.190 117.391 118.700 -0.199 0.000 2.324 66 N HA 0.366 5.180 4.740 0.123 0.000 0.285 66 N C -1.962 173.324 175.510 -0.375 0.000 1.076 66 N CA -0.541 52.392 53.050 -0.195 0.000 0.864 66 N CB 1.187 39.611 38.487 -0.106 0.000 1.632 66 N HN -0.272 nan 8.380 nan 0.000 0.478 67 Y N 1.336 121.598 120.300 -0.062 0.000 2.442 67 Y HA 0.679 5.304 4.550 0.124 0.000 0.344 67 Y C 0.391 176.208 175.900 -0.137 0.000 0.976 67 Y CA -0.624 57.411 58.100 -0.108 0.000 1.040 67 Y CB 1.968 40.309 38.460 -0.198 0.000 1.228 67 Y HN 0.275 nan 8.280 nan 0.000 0.451 68 R N 1.433 121.957 120.500 0.041 0.000 2.756 68 R HA 0.497 4.911 4.340 0.123 0.000 0.273 68 R C -1.562 174.716 176.300 -0.036 0.000 1.030 68 R CA -1.126 54.936 56.100 -0.063 0.000 0.887 68 R CB 1.761 31.977 30.300 -0.138 0.000 1.274 68 R HN 0.628 nan 8.270 nan 0.000 0.461 69 I N 0.542 121.040 120.570 -0.120 0.000 7.533 69 I HA -0.139 4.105 4.170 0.123 0.000 0.126 69 I C -2.285 173.896 176.117 0.107 0.000 1.830 69 I CA -0.112 61.178 61.300 -0.016 0.000 2.068 69 I CB -1.937 36.059 38.000 -0.008 0.000 3.648 69 I HN 0.478 nan 8.210 nan 0.000 0.179 70 P HA 0.389 nan 4.420 nan 0.000 0.269 70 P C -0.290 177.107 177.300 0.162 0.000 1.209 70 P CA 0.049 63.245 63.100 0.160 0.000 0.776 70 P CB 1.740 33.530 31.700 0.150 0.000 0.876 71 A N 4.014 126.938 122.820 0.173 0.000 2.429 71 A HA 0.553 4.947 4.320 0.123 0.000 0.289 71 A C -1.265 176.540 177.584 0.368 0.000 1.043 71 A CA -0.638 51.520 52.037 0.201 0.000 0.722 71 A CB 1.038 20.064 19.000 0.042 0.000 1.243 71 A HN 0.537 nan 8.150 nan 0.000 0.415 72 L N 1.888 123.318 121.223 0.345 0.000 2.346 72 L HA 0.832 5.246 4.340 0.123 0.000 0.276 72 L C -0.229 176.764 176.870 0.204 0.000 1.006 72 L CA -0.195 54.818 54.840 0.287 0.000 0.817 72 L CB 2.236 44.426 42.059 0.219 0.000 1.272 72 L HN 0.837 nan 8.230 nan 0.000 0.421 73 T N 2.296 116.847 114.554 -0.005 0.000 2.843 73 T HA 0.630 5.054 4.350 0.123 0.000 0.302 73 T C -1.452 173.175 174.700 -0.122 0.000 1.232 73 T CA -0.350 61.672 62.100 -0.130 0.000 1.009 73 T CB 1.841 70.448 68.868 -0.434 0.000 1.254 73 T HN 0.294 nan 8.240 nan 0.000 0.504 74 V N 1.956 121.818 119.914 -0.087 0.000 2.407 74 V HA 0.663 4.857 4.120 0.123 0.000 0.291 74 V C 0.736 176.779 176.094 -0.086 0.000 1.018 74 V CA -0.972 61.280 62.300 -0.081 0.000 0.842 74 V CB 0.558 32.351 31.823 -0.050 0.000 0.996 74 V HN 1.079 nan 8.190 nan 0.000 0.426 75 T N 1.879 116.370 114.554 -0.104 0.000 2.813 75 T HA 0.298 4.722 4.350 0.123 0.000 0.297 75 T C -1.330 173.331 174.700 -0.065 0.000 1.036 75 T CA -1.038 61.008 62.100 -0.089 0.000 1.044 75 T CB 0.908 69.715 68.868 -0.101 0.000 0.993 75 T HN 0.491 nan 8.240 nan 0.000 0.535 76 P HA -0.077 nan 4.420 nan 0.000 0.219 76 P C 0.672 177.944 177.300 -0.047 0.000 1.144 76 P CA 1.155 64.230 63.100 -0.041 0.000 0.806 76 P CB 0.060 31.735 31.700 -0.042 0.000 0.771 77 D N -2.376 117.987 120.400 -0.062 0.000 2.424 77 D HA 0.182 4.896 4.640 0.123 0.000 0.220 77 D C 1.189 177.445 176.300 -0.073 0.000 1.150 77 D CA 0.438 54.400 54.000 -0.063 0.000 0.831 77 D CB 0.246 41.006 40.800 -0.066 0.000 0.981 77 D HN 0.125 nan 8.370 nan 0.000 0.500 78 G N 1.703 110.457 108.800 -0.077 0.000 2.157 78 G HA2 -0.212 3.822 3.960 0.123 0.000 0.248 78 G HA3 -0.212 3.822 3.960 0.123 0.000 0.248 78 G C -0.103 174.723 174.900 -0.125 0.000 0.979 78 G CA -0.370 44.675 45.100 -0.091 0.000 0.650 78 G HN 0.192 nan 8.290 nan 0.000 0.529 79 D N 0.251 120.573 120.400 -0.131 0.000 2.308 79 D HA 0.540 5.254 4.640 0.123 0.000 0.251 79 D C 0.440 176.633 176.300 -0.178 0.000 1.127 79 D CA -0.220 53.678 54.000 -0.170 0.000 0.876 79 D CB 1.369 42.085 40.800 -0.139 0.000 1.176 79 D HN 0.118 nan 8.370 nan 0.000 0.446 80 L N 2.690 123.755 121.223 -0.265 0.000 2.326 80 L HA 0.363 4.777 4.340 0.123 0.000 0.278 80 L C -0.374 176.440 176.870 -0.093 0.000 1.092 80 L CA -0.133 54.584 54.840 -0.206 0.000 0.810 80 L CB 0.733 42.587 42.059 -0.343 0.000 1.153 80 L HN 0.208 nan 8.230 nan 0.000 0.439 81 L N 3.753 124.982 121.223 0.011 0.000 2.356 81 L HA 0.767 5.181 4.340 0.123 0.000 0.277 81 L C -0.504 176.492 176.870 0.210 0.000 0.996 81 L CA -0.633 54.257 54.840 0.084 0.000 0.822 81 L CB 1.820 43.752 42.059 -0.212 0.000 1.256 81 L HN 0.689 nan 8.230 nan 0.000 0.413 82 A N 2.512 125.543 122.820 0.353 0.000 2.330 82 A HA 0.728 5.122 4.320 0.123 0.000 0.313 82 A C -0.669 177.055 177.584 0.233 0.000 1.124 82 A CA -0.363 51.833 52.037 0.265 0.000 0.774 82 A CB 1.892 20.846 19.000 -0.077 0.000 1.198 82 A HN 0.551 nan 8.150 nan 0.000 0.465 83 S N 0.872 116.718 115.700 0.244 0.000 2.607 83 S HA 0.958 5.502 4.470 0.123 0.000 0.303 83 S C -1.198 173.379 174.600 -0.038 0.000 1.086 83 S CA -0.369 57.764 58.200 -0.111 0.000 0.995 83 S CB 0.943 63.953 63.200 -0.317 0.000 1.084 83 S HN 1.303 nan 8.310 nan 0.000 0.507 84 Y N -0.798 119.439 120.300 -0.106 0.000 2.732 84 Y HA 0.502 5.126 4.550 0.123 0.000 0.342 84 Y C -1.425 174.404 175.900 -0.117 0.000 1.203 84 Y CA -1.439 56.606 58.100 -0.093 0.000 1.092 84 Y CB -0.122 38.290 38.460 -0.081 0.000 1.345 84 Y HN 0.348 nan 8.280 nan 0.000 0.458 85 D N 0.673 121.128 120.400 0.091 0.000 2.341 85 D HA 0.479 5.193 4.640 0.123 0.000 0.245 85 D C -0.089 176.176 176.300 -0.057 0.000 1.106 85 D CA 0.395 54.366 54.000 -0.048 0.000 0.905 85 D CB 1.579 42.340 40.800 -0.065 0.000 1.202 85 D HN 0.967 nan 8.370 nan 0.000 0.426 86 G N 1.238 109.791 108.800 -0.411 0.000 2.588 86 G HA2 0.386 4.419 3.960 0.123 0.000 0.312 86 G HA3 0.386 4.419 3.960 0.123 0.000 0.312 86 G C -0.265 174.222 174.900 -0.688 0.000 1.257 86 G CA -0.730 43.731 45.100 -1.064 0.000 0.994 86 G HN 0.177 nan 8.290 nan 0.000 0.498 87 R N 4.196 124.503 120.500 -0.321 0.000 2.391 87 R HA 0.218 4.632 4.340 0.123 0.000 0.310 87 R C -1.357 174.987 176.300 0.073 0.000 1.174 87 R CA -1.638 54.411 56.100 -0.084 0.000 1.118 87 R CB 1.693 31.937 30.300 -0.093 0.000 1.134 87 R HN 0.379 nan 8.270 nan 0.000 0.524 88 P HA -0.182 nan 4.420 nan 0.000 0.223 88 P C 0.567 177.892 177.300 0.042 0.000 1.144 88 P CA 1.374 64.573 63.100 0.164 0.000 0.783 88 P CB 0.399 32.189 31.700 0.150 0.000 0.771 89 T N -6.317 108.251 114.554 0.023 0.000 3.001 89 T HA 0.387 4.811 4.350 0.123 0.000 0.251 89 T C 1.558 176.244 174.700 -0.023 0.000 1.040 89 T CA 0.560 62.656 62.100 -0.007 0.000 0.985 89 T CB -0.515 68.346 68.868 -0.012 0.000 1.011 89 T HN 0.184 nan 8.240 nan 0.000 0.509 90 G N 1.115 109.896 108.800 -0.032 0.000 2.155 90 G HA2 -0.190 3.844 3.960 0.123 0.000 0.257 90 G HA3 -0.190 3.844 3.960 0.123 0.000 0.257 90 G C -0.200 174.669 174.900 -0.053 0.000 0.983 90 G CA 0.343 45.414 45.100 -0.048 0.000 0.676 90 G HN 0.597 nan 8.290 nan 0.000 0.528 91 I N 0.838 121.378 120.570 -0.051 0.000 2.934 91 I HA 0.466 4.710 4.170 0.123 0.000 0.306 91 I C 0.255 176.334 176.117 -0.063 0.000 1.110 91 I CA -1.085 60.183 61.300 -0.055 0.000 1.019 91 I CB 1.639 39.613 38.000 -0.044 0.000 1.227 91 I HN 0.115 nan 8.210 nan 0.000 0.434 92 D N 2.653 123.010 120.400 -0.073 0.000 2.376 92 D HA 0.338 5.052 4.640 0.123 0.000 0.281 92 D C 0.037 176.290 176.300 -0.078 0.000 1.215 92 D CA -0.508 53.442 54.000 -0.083 0.000 1.062 92 D CB -0.092 40.645 40.800 -0.105 0.000 1.124 92 D HN 0.540 nan 8.370 nan 0.000 0.550 93 A N 0.966 123.733 122.820 -0.089 0.000 2.561 93 A HA 0.167 4.561 4.320 0.123 0.000 0.234 93 A C -1.316 176.220 177.584 -0.081 0.000 1.055 93 A CA -0.569 51.414 52.037 -0.090 0.000 0.756 93 A CB -0.177 18.767 19.000 -0.094 0.000 0.986 93 A HN 0.428 nan 8.150 nan 0.000 0.505 94 P HA 0.072 nan 4.420 nan 0.000 0.255 94 P C 0.812 178.062 177.300 -0.083 0.000 1.248 94 P CA 0.539 63.580 63.100 -0.099 0.000 0.807 94 P CB -0.198 31.444 31.700 -0.097 0.000 1.150 95 G N 3.321 112.082 108.800 -0.064 0.000 2.562 95 G HA2 0.019 4.053 3.960 0.123 0.000 0.233 95 G HA3 0.019 4.053 3.960 0.123 0.000 0.233 95 G C -1.578 173.299 174.900 -0.040 0.000 1.266 95 G CA -0.779 44.294 45.100 -0.045 0.000 0.852 95 G HN 0.112 nan 8.290 nan 0.000 0.581 96 P HA -0.037 nan 4.420 nan 0.000 0.290 96 P C -0.337 176.995 177.300 0.053 0.000 1.584 96 P CA -0.139 62.973 63.100 0.021 0.000 0.813 96 P CB -0.252 31.469 31.700 0.035 0.000 1.775 97 N N 0.230 118.939 118.700 0.015 0.000 2.482 97 N HA 0.159 4.973 4.740 0.123 0.000 0.260 97 N C 0.242 175.782 175.510 0.051 0.000 1.236 97 N CA 0.270 53.322 53.050 0.003 0.000 0.938 97 N CB 0.390 38.851 38.487 -0.042 0.000 1.128 97 N HN 0.059 nan 8.380 nan 0.000 0.448 98 S N 0.697 116.378 115.700 -0.031 0.000 2.536 98 S HA 0.530 5.074 4.470 0.123 0.000 0.298 98 S C -0.208 174.287 174.600 -0.176 0.000 1.083 98 S CA -0.729 57.450 58.200 -0.035 0.000 0.995 98 S CB 1.307 64.496 63.200 -0.020 0.000 1.058 98 S HN 0.268 nan 8.310 nan 0.000 0.488 99 I N 3.405 123.839 120.570 -0.228 0.000 2.315 99 I HA 0.382 4.626 4.170 0.123 0.000 0.291 99 I C -0.262 175.636 176.117 -0.365 0.000 1.006 99 I CA -0.179 60.916 61.300 -0.341 0.000 1.265 99 I CB 0.450 38.143 38.000 -0.511 0.000 1.387 99 I HN 0.480 nan 8.210 nan 0.000 0.475 100 L N 5.634 126.590 121.223 -0.444 0.000 2.298 100 L HA 0.630 5.044 4.340 0.123 0.000 0.268 100 L C -0.187 176.362 176.870 -0.534 0.000 1.010 100 L CA -0.724 53.836 54.840 -0.467 0.000 0.812 100 L CB 1.447 43.189 42.059 -0.528 0.000 1.331 100 L HN 0.494 nan 8.230 nan 0.000 0.450 101 Q N 0.884 120.466 119.800 -0.363 0.000 2.313 101 Q HA 0.388 4.802 4.340 0.123 0.000 0.260 101 Q C -1.745 174.242 176.000 -0.021 0.000 0.972 101 Q CA -0.766 54.932 55.803 -0.174 0.000 0.886 101 Q CB 2.162 30.902 28.738 0.004 0.000 1.373 101 Q HN 0.493 nan 8.270 nan 0.000 0.416 102 R N 2.511 123.055 120.500 0.073 0.000 2.589 102 R HA 0.555 4.969 4.340 0.123 0.000 0.293 102 R C -0.783 175.787 176.300 0.449 0.000 0.963 102 R CA -0.677 55.556 56.100 0.221 0.000 0.905 102 R CB 2.161 32.544 30.300 0.140 0.000 1.144 102 R HN 0.629 nan 8.270 nan 0.000 0.459 103 R N 0.618 121.367 120.500 0.415 0.000 2.599 103 R HA 0.327 4.741 4.340 0.123 0.000 0.295 103 R C -1.204 175.019 176.300 -0.129 0.000 0.963 103 R CA -0.237 55.991 56.100 0.213 0.000 0.883 103 R CB 1.901 32.250 30.300 0.081 0.000 1.171 103 R HN 0.551 nan 8.270 nan 0.000 0.450 104 S N 1.478 116.772 115.700 -0.676 0.000 2.552 104 S HA 0.202 4.746 4.470 0.123 0.000 0.314 104 S C 0.592 174.868 174.600 -0.541 0.000 1.099 104 S CA -0.531 57.098 58.200 -0.951 0.000 1.070 104 S CB 1.382 63.421 63.200 -1.935 0.000 0.998 104 S HN 0.729 nan 8.310 nan 0.000 0.474 105 T N 0.123 114.462 114.554 -0.359 0.000 3.040 105 T HA 0.135 4.559 4.350 0.123 0.000 0.250 105 T C 0.324 174.897 174.700 -0.211 0.000 1.058 105 T CA 0.140 62.098 62.100 -0.237 0.000 0.988 105 T CB -0.214 68.559 68.868 -0.158 0.000 0.993 105 T HN 0.622 nan 8.240 nan 0.000 0.519 106 D N 0.880 121.131 120.400 -0.248 0.000 2.755 106 D HA 0.338 5.052 4.640 0.123 0.000 0.257 106 D C 1.363 177.545 176.300 -0.196 0.000 1.291 106 D CA -0.349 53.540 54.000 -0.184 0.000 0.836 106 D CB -0.414 40.297 40.800 -0.148 0.000 1.059 106 D HN 0.398 nan 8.370 nan 0.000 0.486 107 G N -0.393 108.269 108.800 -0.230 0.000 2.155 107 G HA2 -0.143 3.891 3.960 0.123 0.000 0.257 107 G HA3 -0.143 3.891 3.960 0.123 0.000 0.257 107 G C 1.117 175.892 174.900 -0.209 0.000 0.983 107 G CA 0.351 45.334 45.100 -0.194 0.000 0.676 107 G HN 1.505 nan 8.290 nan 0.000 0.528 108 G N -1.416 107.147 108.800 -0.396 0.000 2.184 108 G HA2 -0.203 3.831 3.960 0.123 0.000 0.206 108 G HA3 -0.203 3.831 3.960 0.123 0.000 0.206 108 G C 1.047 175.889 174.900 -0.096 0.000 0.995 108 G CA 0.878 45.746 45.100 -0.385 0.000 0.651 108 G HN 0.929 nan 8.290 nan 0.000 0.511 109 R N -0.168 120.264 120.500 -0.113 0.000 2.073 109 R HA 0.179 4.593 4.340 0.123 0.000 0.229 109 R C 0.721 177.036 176.300 0.025 0.000 1.120 109 R CA 1.447 57.552 56.100 0.007 0.000 0.967 109 R CB -0.058 30.229 30.300 -0.022 0.000 0.862 109 R HN 0.322 nan 8.270 nan 0.000 0.436 110 T N -0.241 114.242 114.554 -0.119 0.000 2.893 110 T HA 0.402 4.826 4.350 0.123 0.000 0.291 110 T C -1.700 172.862 174.700 -0.231 0.000 1.028 110 T CA -0.497 61.573 62.100 -0.050 0.000 0.995 110 T CB 1.483 70.318 68.868 -0.055 0.000 1.051 110 T HN 0.095 nan 8.240 nan 0.000 0.470 111 W N 0.813 122.090 121.300 -0.039 0.000 2.819 111 W HA 0.637 5.368 4.660 0.118 0.000 0.337 111 W C 0.622 177.126 176.519 -0.024 0.000 1.077 111 W CA -0.670 56.646 57.345 -0.048 0.000 1.226 111 W CB 1.349 30.775 29.460 -0.057 0.000 1.419 111 W HN 0.897 nan 8.180 nan 0.000 0.502 112 G N 0.879 109.806 108.800 0.211 0.000 2.553 112 G HA2 0.275 4.309 3.960 0.123 0.000 0.278 112 G HA3 0.275 4.309 3.960 0.123 0.000 0.278 112 G C -0.519 174.469 174.900 0.147 0.000 1.349 112 G CA -0.346 44.834 45.100 0.132 0.000 1.037 112 G HN 0.370 nan 8.290 nan 0.000 0.508 113 E N -0.765 119.495 120.200 0.101 0.000 2.392 113 E HA 0.119 4.543 4.350 0.123 0.000 0.259 113 E C 0.348 177.008 176.600 0.100 0.000 1.108 113 E CA -0.214 56.241 56.400 0.093 0.000 0.916 113 E CB 0.668 30.411 29.700 0.071 0.000 0.989 113 E HN 0.387 nan 8.360 nan 0.000 0.432 114 Q N 2.745 122.603 119.800 0.097 0.000 2.307 114 Q HA 0.038 4.452 4.340 0.123 0.000 0.261 114 Q C -0.836 175.209 176.000 0.075 0.000 1.051 114 Q CA -0.300 55.556 55.803 0.089 0.000 0.911 114 Q CB 0.353 29.168 28.738 0.129 0.000 1.227 114 Q HN 0.342 nan 8.270 nan 0.000 0.418 115 Q N 2.293 122.121 119.800 0.046 0.000 2.257 115 Q HA 0.419 4.833 4.340 0.123 0.000 0.262 115 Q C -0.755 175.243 176.000 -0.004 0.000 0.997 115 Q CA -0.750 55.081 55.803 0.047 0.000 0.873 115 Q CB 2.078 30.862 28.738 0.077 0.000 1.312 115 Q HN 0.452 nan 8.270 nan 0.000 0.450 116 V N 1.803 121.720 119.914 0.004 0.000 2.465 116 V HA 0.124 4.318 4.120 0.123 0.000 0.279 116 V C 0.981 177.022 176.094 -0.088 0.000 1.045 116 V CA -0.129 62.139 62.300 -0.054 0.000 0.938 116 V CB 1.401 33.214 31.823 -0.016 0.000 0.986 116 V HN 0.670 nan 8.190 nan 0.000 0.467 117 V N 2.955 122.731 119.914 -0.230 0.000 2.922 117 V HA 0.150 4.344 4.120 0.123 0.000 0.242 117 V C 0.644 176.562 176.094 -0.293 0.000 1.094 117 V CA 0.913 62.988 62.300 -0.376 0.000 1.106 117 V CB 0.913 32.318 31.823 -0.696 0.000 0.799 117 V HN 0.852 nan 8.190 nan 0.000 0.474 118 S N 0.481 115.929 115.700 -0.420 0.000 2.750 118 S HA 0.721 5.265 4.470 0.123 0.000 0.276 118 S C -0.396 173.882 174.600 -0.537 0.000 1.165 118 S CA -0.352 57.406 58.200 -0.738 0.000 1.047 118 S CB 1.571 64.074 63.200 -1.162 0.000 1.056 118 S HN 0.403 nan 8.310 nan 0.000 0.481 119 A N 2.447 125.037 122.820 -0.384 0.000 2.301 119 A HA 0.791 5.185 4.320 0.123 0.000 0.298 119 A C 0.643 178.320 177.584 0.155 0.000 1.185 119 A CA -0.446 51.546 52.037 -0.074 0.000 0.830 119 A CB 0.307 19.287 19.000 -0.034 0.000 1.112 119 A HN 0.854 nan 8.150 nan 0.000 0.508 120 G N 0.674 109.635 108.800 0.269 0.000 2.448 120 G HA2 0.485 4.519 3.960 0.123 0.000 0.285 120 G HA3 0.485 4.519 3.960 0.123 0.000 0.285 120 G C -0.264 174.739 174.900 0.172 0.000 1.176 120 G CA -0.392 44.888 45.100 0.300 0.000 0.852 120 G HN 0.836 nan 8.290 nan 0.000 0.530 121 Q N -0.025 119.859 119.800 0.140 0.000 2.340 121 Q HA 0.296 4.710 4.340 0.123 0.000 0.259 121 Q C 1.302 177.338 176.000 0.060 0.000 0.964 121 Q CA -0.384 55.474 55.803 0.090 0.000 0.900 121 Q CB 0.874 29.665 28.738 0.087 0.000 1.228 121 Q HN 0.626 nan 8.270 nan 0.000 0.449 122 T N -0.841 113.742 114.554 0.048 0.000 3.014 122 T HA -0.029 4.395 4.350 0.123 0.000 0.263 122 T C 1.035 175.746 174.700 0.017 0.000 1.078 122 T CA 0.789 62.907 62.100 0.029 0.000 1.135 122 T CB -0.280 68.600 68.868 0.020 0.000 0.895 122 T HN 0.671 nan 8.240 nan 0.000 0.480 123 T N 0.903 115.469 114.554 0.019 0.000 2.899 123 T HA 0.661 5.085 4.350 0.123 0.000 0.295 123 T C 0.289 174.999 174.700 0.017 0.000 1.033 123 T CA -0.629 61.479 62.100 0.014 0.000 1.084 123 T CB 1.010 69.886 68.868 0.014 0.000 0.979 123 T HN 0.468 nan 8.240 nan 0.000 0.532 124 A N 3.929 126.756 122.820 0.012 0.000 2.425 124 A HA 0.535 4.929 4.320 0.123 0.000 0.249 124 A C -1.579 176.016 177.584 0.019 0.000 1.084 124 A CA -1.292 50.752 52.037 0.012 0.000 0.781 124 A CB -0.686 18.318 19.000 0.006 0.000 1.019 124 A HN 0.857 nan 8.150 nan 0.000 0.490 125 P HA 0.333 nan 4.420 nan 0.000 0.287 125 P C -0.485 176.832 177.300 0.028 0.000 1.281 125 P CA -0.217 62.897 63.100 0.022 0.000 0.781 125 P CB 0.605 32.321 31.700 0.027 0.000 0.903 126 I N 3.285 123.863 120.570 0.014 0.000 2.752 126 I HA -0.036 4.208 4.170 0.123 0.000 0.289 126 I C 1.060 177.182 176.117 0.008 0.000 1.197 126 I CA 1.015 62.321 61.300 0.010 0.000 1.432 126 I CB 0.090 38.085 38.000 -0.009 0.000 1.359 126 I HN 0.242 nan 8.210 nan 0.000 0.571 127 K N 3.920 124.334 120.400 0.023 0.000 2.469 127 K HA 0.770 5.164 4.320 0.123 0.000 0.254 127 K C -0.556 176.007 176.600 -0.062 0.000 0.939 127 K CA -0.802 55.493 56.287 0.013 0.000 0.812 127 K CB 2.327 34.914 32.500 0.146 0.000 1.301 127 K HN 0.705 nan 8.250 nan 0.000 0.433 128 G N 1.318 109.962 108.800 -0.260 0.000 2.690 128 G HA2 0.720 4.754 3.960 0.123 0.000 0.293 128 G HA3 0.720 4.754 3.960 0.123 0.000 0.293 128 G C -1.809 172.691 174.900 -0.667 0.000 1.399 128 G CA -0.545 44.391 45.100 -0.274 0.000 0.890 128 G HN 0.308 nan 8.290 nan 0.000 0.485 129 F N 0.305 120.273 119.950 0.030 0.000 2.540 129 F HA 0.796 5.397 4.527 0.123 0.000 0.317 129 F C 0.444 176.205 175.800 -0.065 0.000 1.104 129 F CA -0.580 57.415 58.000 -0.008 0.000 0.913 129 F CB 2.947 41.836 39.000 -0.185 0.000 1.170 129 F HN 0.449 nan 8.300 nan 0.000 0.450 130 S N 0.414 116.174 115.700 0.099 0.000 2.596 130 S HA 0.476 5.020 4.470 0.123 0.000 0.270 130 S C -1.907 172.746 174.600 0.089 0.000 1.155 130 S CA -1.041 57.184 58.200 0.042 0.000 0.827 130 S CB 1.781 64.978 63.200 -0.004 0.000 1.130 130 S HN 0.667 nan 8.310 nan 0.000 0.467 131 D N 1.635 122.065 120.400 0.050 0.000 3.357 131 D HA -0.090 4.624 4.640 0.123 0.000 0.238 131 D C -2.544 173.807 176.300 0.085 0.000 1.126 131 D CA 0.607 54.658 54.000 0.085 0.000 0.984 131 D CB -0.672 40.218 40.800 0.150 0.000 0.925 131 D HN 0.167 nan 8.370 nan 0.000 0.414 132 P HA 0.342 nan 4.420 nan 0.000 0.276 132 P C -0.553 176.720 177.300 -0.046 0.000 1.252 132 P CA -0.440 62.646 63.100 -0.023 0.000 0.802 132 P CB 1.753 33.341 31.700 -0.186 0.000 1.035 133 S N 0.835 116.499 115.700 -0.060 0.000 2.649 133 S HA 0.447 4.991 4.470 0.123 0.000 0.274 133 S C -1.470 173.189 174.600 0.099 0.000 1.176 133 S CA -0.528 57.668 58.200 -0.006 0.000 0.988 133 S CB -0.006 63.164 63.200 -0.049 0.000 1.071 133 S HN 0.175 nan 8.310 nan 0.000 0.478 134 Y N 3.383 123.789 120.300 0.177 0.000 2.301 134 Y HA 0.712 5.336 4.550 0.123 0.000 0.325 134 Y C 0.146 176.210 175.900 0.273 0.000 1.203 134 Y CA -0.822 57.426 58.100 0.245 0.000 1.255 134 Y CB 1.055 39.634 38.460 0.199 0.000 1.232 134 Y HN 0.540 nan 8.280 nan 0.000 0.501 135 L N 3.292 124.871 121.223 0.593 0.000 2.470 135 L HA 0.605 5.019 4.340 0.123 0.000 0.268 135 L C -1.718 175.472 176.870 0.534 0.000 0.964 135 L CA -0.982 54.166 54.840 0.513 0.000 0.839 135 L CB 1.568 43.994 42.059 0.612 0.000 1.276 135 L HN 0.372 nan 8.230 nan 0.000 0.403 136 V N 4.418 124.550 119.914 0.363 0.000 2.448 136 V HA 0.381 4.575 4.120 0.123 0.000 0.295 136 V C -0.243 176.020 176.094 0.281 0.000 1.025 136 V CA -0.742 61.721 62.300 0.271 0.000 0.859 136 V CB 1.743 33.647 31.823 0.136 0.000 0.988 136 V HN 0.735 nan 8.190 nan 0.000 0.431 137 D N 4.892 125.474 120.400 0.304 0.000 2.468 137 D HA 0.144 4.858 4.640 0.123 0.000 0.218 137 D C 1.219 177.631 176.300 0.188 0.000 1.155 137 D CA -0.468 53.719 54.000 0.311 0.000 0.924 137 D CB 0.667 41.731 40.800 0.440 0.000 1.029 137 D HN 0.358 nan 8.370 nan 0.000 0.515 138 R N 2.342 122.933 120.500 0.152 0.000 2.200 138 R HA -0.137 4.277 4.340 0.123 0.000 0.234 138 R C 1.361 177.712 176.300 0.086 0.000 1.127 138 R CA 0.858 57.017 56.100 0.097 0.000 0.989 138 R CB 0.055 30.406 30.300 0.085 0.000 0.869 138 R HN 0.620 nan 8.270 nan 0.000 0.459 139 E N -0.405 119.869 120.200 0.124 0.000 2.112 139 E HA -0.090 4.334 4.350 0.123 0.000 0.190 139 E C 1.693 178.309 176.600 0.026 0.000 0.979 139 E CA 1.698 58.155 56.400 0.095 0.000 0.814 139 E CB 0.094 29.895 29.700 0.169 0.000 0.762 139 E HN 0.450 nan 8.360 nan 0.000 0.460 140 T N -4.188 110.387 114.554 0.035 0.000 2.990 140 T HA 0.323 4.747 4.350 0.123 0.000 0.249 140 T C 1.540 176.223 174.700 -0.028 0.000 1.039 140 T CA 0.514 62.591 62.100 -0.038 0.000 1.036 140 T CB 1.048 69.864 68.868 -0.087 0.000 0.994 140 T HN 0.266 nan 8.240 nan 0.000 0.489 141 G N 1.168 109.966 108.800 -0.003 0.000 2.195 141 G HA2 -0.209 3.825 3.960 0.123 0.000 0.224 141 G HA3 -0.209 3.825 3.960 0.123 0.000 0.224 141 G C 0.213 175.059 174.900 -0.090 0.000 0.990 141 G CA 0.001 45.076 45.100 -0.041 0.000 0.639 141 G HN 0.753 nan 8.290 nan 0.000 0.514 142 T N 1.333 115.825 114.554 -0.104 0.000 2.930 142 T HA 0.520 4.944 4.350 0.123 0.000 0.306 142 T C 0.468 174.956 174.700 -0.354 0.000 1.045 142 T CA 0.506 62.430 62.100 -0.293 0.000 1.134 142 T CB 1.546 70.183 68.868 -0.385 0.000 0.961 142 T HN 0.348 nan 8.240 nan 0.000 0.545 143 I N 2.894 123.206 120.570 -0.430 0.000 2.406 143 I HA 0.436 4.680 4.170 0.123 0.000 0.290 143 I C -0.908 175.097 176.117 -0.185 0.000 0.999 143 I CA -0.746 60.455 61.300 -0.165 0.000 1.124 143 I CB 1.253 39.233 38.000 -0.035 0.000 1.289 143 I HN 0.501 nan 8.210 nan 0.000 0.441 144 F N 4.030 124.217 119.950 0.396 0.000 2.482 144 F HA 0.381 4.981 4.527 0.122 0.000 0.331 144 F C 0.157 176.170 175.800 0.355 0.000 1.115 144 F CA -0.741 57.453 58.000 0.324 0.000 0.955 144 F CB 1.397 40.544 39.000 0.245 0.000 1.136 144 F HN 0.361 nan 8.300 nan 0.000 0.452 145 N N 2.891 121.771 118.700 0.301 0.000 2.564 145 N HA 0.447 5.261 4.740 0.123 0.000 0.248 145 N C -1.321 174.121 175.510 -0.113 0.000 0.986 145 N CA -0.342 52.723 53.050 0.024 0.000 0.921 145 N CB 0.579 38.837 38.487 -0.382 0.000 1.136 145 N HN 0.294 nan 8.380 nan 0.000 0.509 146 F N 2.404 122.283 119.950 -0.119 0.000 2.382 146 F HA 0.391 4.992 4.527 0.123 0.000 0.331 146 F C 0.733 176.427 175.800 -0.176 0.000 1.121 146 F CA 0.319 58.166 58.000 -0.256 0.000 1.183 146 F CB 0.812 39.664 39.000 -0.245 0.000 1.207 146 F HN 0.586 nan 8.300 nan 0.000 0.555 147 H N -2.379 116.785 119.070 0.156 0.000 2.935 147 H HA 0.476 5.105 4.556 0.123 0.000 0.297 147 H C -1.845 173.610 175.328 0.211 0.000 1.423 147 H CA -1.302 54.826 56.048 0.133 0.000 1.161 147 H CB 0.116 29.938 29.762 0.100 0.000 1.841 147 H HN 0.351 nan 8.280 nan 0.000 0.506 148 V N 1.793 121.927 119.914 0.368 0.000 2.530 148 V HA 0.133 4.326 4.120 0.123 0.000 0.282 148 V C -0.912 175.370 176.094 0.314 0.000 1.048 148 V CA -0.139 62.338 62.300 0.294 0.000 0.997 148 V CB 0.445 32.372 31.823 0.174 0.000 0.987 148 V HN 0.726 nan 8.190 nan 0.000 0.477 149 Y N 6.196 126.571 120.300 0.124 0.000 2.356 149 Y HA 0.622 5.246 4.550 0.123 0.000 0.334 149 Y C 0.119 175.945 175.900 -0.122 0.000 0.958 149 Y CA -1.256 56.779 58.100 -0.109 0.000 1.196 149 Y CB 1.245 39.772 38.460 0.111 0.000 1.137 149 Y HN 0.636 nan 8.280 nan 0.000 0.485 150 S N 4.271 119.721 115.700 -0.417 0.000 2.578 150 S HA 0.678 5.222 4.470 0.123 0.000 0.301 150 S C -0.318 174.002 174.600 -0.468 0.000 1.091 150 S CA -0.428 57.517 58.200 -0.425 0.000 1.032 150 S CB 2.781 65.844 63.200 -0.228 0.000 1.064 150 S HN 0.803 nan 8.310 nan 0.000 0.508 151 Q N 0.717 120.303 119.800 -0.357 0.000 2.164 151 Q HA 0.433 4.847 4.340 0.123 0.000 0.165 151 Q C 1.762 177.680 176.000 -0.136 0.000 0.570 151 Q CA -0.392 55.279 55.803 -0.220 0.000 0.759 151 Q CB 0.294 28.907 28.738 -0.208 0.000 1.059 151 Q HN 0.712 nan 8.270 nan 0.000 0.464 152 R N -0.590 119.834 120.500 -0.127 0.000 2.316 152 R HA 0.272 4.686 4.340 0.123 0.000 0.201 152 R C -0.073 176.170 176.300 -0.095 0.000 0.888 152 R CA 0.214 56.260 56.100 -0.090 0.000 1.041 152 R CB 0.897 31.156 30.300 -0.068 0.000 1.115 152 R HN 0.176 nan 8.270 nan 0.000 0.559 153 Q N -0.209 119.518 119.800 -0.121 0.000 2.387 153 Q HA 0.468 4.882 4.340 0.123 0.000 0.273 153 Q C -0.122 175.808 176.000 -0.117 0.000 1.089 153 Q CA -0.478 55.258 55.803 -0.112 0.000 0.824 153 Q CB 2.210 30.878 28.738 -0.117 0.000 1.367 153 Q HN 0.154 nan 8.270 nan 0.000 0.443 154 G N -0.252 108.493 108.800 -0.091 0.000 2.795 154 G HA2 0.309 4.343 3.960 0.123 0.000 0.267 154 G HA3 0.309 4.343 3.960 0.123 0.000 0.267 154 G C 0.101 174.974 174.900 -0.046 0.000 1.362 154 G CA -0.437 44.622 45.100 -0.069 0.000 1.048 154 G HN 0.499 nan 8.290 nan 0.000 0.547 155 F N 1.127 120.958 119.950 -0.198 0.000 2.065 155 F HA -0.129 4.473 4.527 0.125 0.000 0.298 155 F C 2.656 178.364 175.800 -0.153 0.000 1.112 155 F CA 2.402 60.271 58.000 -0.219 0.000 1.212 155 F CB -0.282 38.480 39.000 -0.398 0.000 0.975 155 F HN 0.301 nan 8.300 nan 0.000 0.476 156 A N -0.867 121.836 122.820 -0.194 0.000 2.167 156 A HA 0.218 4.612 4.320 0.123 0.000 0.214 156 A C 2.166 179.653 177.584 -0.162 0.000 1.151 156 A CA 1.077 52.989 52.037 -0.209 0.000 0.735 156 A CB -1.288 17.695 19.000 -0.028 0.000 0.802 156 A HN 0.507 nan 8.150 nan 0.000 0.467 157 G N -1.287 107.429 108.800 -0.141 0.000 3.044 157 G HA2 0.250 4.284 3.960 0.123 0.000 0.223 157 G HA3 0.250 4.284 3.960 0.123 0.000 0.223 157 G C 0.652 175.479 174.900 -0.122 0.000 1.123 157 G CA 0.664 45.698 45.100 -0.110 0.000 0.765 157 G HN 0.409 nan 8.290 nan 0.000 0.546 158 S N 1.086 116.692 115.700 -0.157 0.000 2.558 158 S HA 0.218 4.761 4.470 0.123 0.000 0.293 158 S C 0.318 174.844 174.600 -0.123 0.000 1.292 158 S CA -0.041 58.070 58.200 -0.149 0.000 1.063 158 S CB 0.302 63.403 63.200 -0.165 0.000 0.831 158 S HN 0.261 nan 8.310 nan 0.000 0.499 159 R N 4.155 124.594 120.500 -0.101 0.000 2.589 159 R HA 0.421 4.835 4.340 0.123 0.000 0.293 159 R C -2.754 173.513 176.300 -0.056 0.000 0.963 159 R CA -2.484 53.575 56.100 -0.068 0.000 0.905 159 R CB 0.549 30.815 30.300 -0.056 0.000 1.144 159 R HN 0.451 nan 8.270 nan 0.000 0.459 160 P HA 0.042 nan 4.420 nan 0.000 0.264 160 P C -0.171 177.125 177.300 -0.007 0.000 1.173 160 P CA 0.921 64.017 63.100 -0.006 0.000 0.761 160 P CB 0.454 32.156 31.700 0.004 0.000 0.794 161 G N 0.950 109.754 108.800 0.008 0.000 2.316 161 G HA2 0.212 4.246 3.960 0.123 0.000 0.468 161 G HA3 0.212 4.246 3.960 0.123 0.000 0.468 161 G C 0.012 174.943 174.900 0.051 0.000 1.523 161 G CA -0.112 45.001 45.100 0.023 0.000 0.972 161 G HN 0.481 nan 8.290 nan 0.000 0.667 162 T N -2.147 112.462 114.554 0.093 0.000 3.040 162 T HA 0.322 4.746 4.350 0.123 0.000 0.266 162 T C 0.228 175.064 174.700 0.225 0.000 1.005 162 T CA 0.506 62.702 62.100 0.160 0.000 0.906 162 T CB 0.690 69.617 68.868 0.099 0.000 1.082 162 T HN 0.532 nan 8.240 nan 0.000 0.531 163 D N 3.092 123.613 120.400 0.201 0.000 2.346 163 D HA 0.255 4.969 4.640 0.123 0.000 0.260 163 D C -1.524 174.914 176.300 0.231 0.000 1.252 163 D CA -2.323 51.774 54.000 0.161 0.000 0.895 163 D CB 1.516 42.379 40.800 0.105 0.000 1.097 163 D HN -0.013 nan 8.370 nan 0.000 0.489 164 P HA -0.209 nan 4.420 nan 0.000 0.217 164 P C 0.765 178.084 177.300 0.032 0.000 1.148 164 P CA 1.503 64.418 63.100 -0.308 0.000 0.834 164 P CB 0.244 31.852 31.700 -0.154 0.000 0.783 165 A N -0.698 122.179 122.820 0.096 0.000 1.897 165 A HA -0.112 4.282 4.320 0.123 0.000 0.215 165 A C 1.304 178.962 177.584 0.124 0.000 1.181 165 A CA 0.661 52.762 52.037 0.108 0.000 0.620 165 A CB -1.259 17.784 19.000 0.072 0.000 0.821 165 A HN 0.108 nan 8.150 nan 0.000 0.443 166 D N 0.860 121.343 120.400 0.137 0.000 2.479 166 D HA 0.018 4.732 4.640 0.123 0.000 0.257 166 D C -1.609 174.730 176.300 0.066 0.000 1.230 166 D CA -1.422 52.629 54.000 0.086 0.000 0.912 166 D CB 0.863 41.706 40.800 0.072 0.000 1.130 166 D HN 0.210 nan 8.370 nan 0.000 0.515 167 P HA -0.018 nan 4.420 nan 0.000 0.247 167 P C 0.109 177.357 177.300 -0.086 0.000 1.225 167 P CA 0.223 63.303 63.100 -0.033 0.000 0.768 167 P CB 0.374 32.061 31.700 -0.021 0.000 1.020 168 N N 0.004 118.654 118.700 -0.082 0.000 2.203 168 N HA 0.078 4.892 4.740 0.123 0.000 0.207 168 N C 0.284 175.703 175.510 -0.151 0.000 1.130 168 N CA 0.100 53.088 53.050 -0.102 0.000 0.861 168 N CB 1.480 39.927 38.487 -0.066 0.000 1.005 168 N HN 0.155 nan 8.380 nan 0.000 0.507 169 V N -0.265 119.503 119.914 -0.242 0.000 2.715 169 V HA 0.497 4.691 4.120 0.123 0.000 0.310 169 V C -0.486 175.340 176.094 -0.447 0.000 1.054 169 V CA -1.111 60.993 62.300 -0.326 0.000 0.928 169 V CB 2.305 33.920 31.823 -0.348 0.000 1.007 169 V HN -0.109 nan 8.190 nan 0.000 0.437 170 L N 5.561 126.616 121.223 -0.280 0.000 2.342 170 L HA 0.494 4.908 4.340 0.123 0.000 0.285 170 L C 0.078 176.856 176.870 -0.153 0.000 1.095 170 L CA 0.542 55.273 54.840 -0.182 0.000 0.843 170 L CB -0.717 41.333 42.059 -0.015 0.000 1.201 170 L HN 0.859 nan 8.230 nan 0.000 0.445 171 H N 3.140 122.208 119.070 -0.003 0.000 2.551 171 H HA 0.598 5.228 4.556 0.123 0.000 0.358 171 H C -0.017 175.445 175.328 0.223 0.000 1.151 171 H CA 0.046 56.169 56.048 0.125 0.000 1.374 171 H CB 1.070 30.953 29.762 0.202 0.000 1.473 171 H HN 0.784 nan 8.280 nan 0.000 0.574 172 A N 3.198 126.252 122.820 0.390 0.000 2.253 172 A HA 0.239 4.633 4.320 0.123 0.000 0.316 172 A C -0.208 177.542 177.584 0.277 0.000 1.327 172 A CA -0.592 51.657 52.037 0.352 0.000 0.917 172 A CB -0.055 19.131 19.000 0.309 0.000 1.162 172 A HN 0.838 nan 8.150 nan 0.000 0.535 173 N N 0.566 119.403 118.700 0.227 0.000 2.459 173 N HA 0.701 5.515 4.740 0.123 0.000 0.288 173 N C -1.284 174.083 175.510 -0.239 0.000 1.186 173 N CA -0.532 52.557 53.050 0.065 0.000 0.917 173 N CB 2.049 40.647 38.487 0.185 0.000 1.219 173 N HN 0.370 nan 8.380 nan 0.000 0.525 174 V N 0.148 119.875 119.914 -0.312 0.000 2.711 174 V HA 0.585 4.779 4.120 0.123 0.000 0.304 174 V C -0.692 175.240 176.094 -0.270 0.000 1.097 174 V CA -1.055 60.924 62.300 -0.535 0.000 0.906 174 V CB 1.221 32.684 31.823 -0.600 0.000 1.015 174 V HN 0.751 nan 8.190 nan 0.000 0.427 175 A N 2.666 125.340 122.820 -0.244 0.000 2.292 175 A HA 0.869 5.263 4.320 0.123 0.000 0.319 175 A C 0.071 177.793 177.584 0.230 0.000 1.206 175 A CA -0.411 51.570 52.037 -0.093 0.000 0.835 175 A CB 1.018 19.897 19.000 -0.202 0.000 1.164 175 A HN 0.807 nan 8.150 nan 0.000 0.505 176 T N 1.439 116.119 114.554 0.210 0.000 2.856 176 T HA 0.634 5.058 4.350 0.123 0.000 0.283 176 T C -0.263 174.388 174.700 -0.081 0.000 1.008 176 T CA -0.360 61.811 62.100 0.118 0.000 0.997 176 T CB 1.412 70.356 68.868 0.127 0.000 0.992 176 T HN 0.754 nan 8.240 nan 0.000 0.454 177 S N 0.685 116.151 115.700 -0.390 0.000 2.571 177 S HA 0.527 5.071 4.470 0.123 0.000 0.284 177 S C 0.680 175.000 174.600 -0.467 0.000 1.128 177 S CA -0.602 57.195 58.200 -0.672 0.000 0.970 177 S CB 1.151 63.462 63.200 -1.482 0.000 1.039 177 S HN 0.828 nan 8.310 nan 0.000 0.485 178 T N -0.183 114.160 114.554 -0.352 0.000 3.044 178 T HA 0.225 4.649 4.350 0.123 0.000 0.260 178 T C 0.008 174.574 174.700 -0.223 0.000 1.019 178 T CA 0.010 61.961 62.100 -0.247 0.000 0.921 178 T CB -0.262 68.505 68.868 -0.169 0.000 1.053 178 T HN 0.606 nan 8.240 nan 0.000 0.533 179 D N 0.664 120.898 120.400 -0.276 0.000 2.788 179 D HA 0.359 5.073 4.640 0.123 0.000 0.289 179 D C 1.320 177.480 176.300 -0.233 0.000 1.340 179 D CA -0.479 53.388 54.000 -0.222 0.000 0.831 179 D CB -0.313 40.369 40.800 -0.196 0.000 1.103 179 D HN 0.336 nan 8.370 nan 0.000 0.476 180 G N -0.311 108.342 108.800 -0.245 0.000 2.168 180 G HA2 -0.083 3.951 3.960 0.123 0.000 0.257 180 G HA3 -0.083 3.951 3.960 0.123 0.000 0.257 180 G C 1.156 175.921 174.900 -0.224 0.000 0.997 180 G CA 0.430 45.408 45.100 -0.203 0.000 0.708 180 G HN 1.493 nan 8.290 nan 0.000 0.520 181 G N -1.495 107.048 108.800 -0.429 0.000 2.213 181 G HA2 -0.238 3.796 3.960 0.123 0.000 0.226 181 G HA3 -0.238 3.796 3.960 0.123 0.000 0.226 181 G C 1.349 176.043 174.900 -0.343 0.000 0.992 181 G CA 0.663 45.493 45.100 -0.450 0.000 0.632 181 G HN 1.175 nan 8.290 nan 0.000 0.511 182 L N 1.004 122.055 121.223 -0.286 0.000 1.970 182 L HA 0.110 4.523 4.340 0.123 0.000 0.212 182 L C 1.934 178.684 176.870 -0.200 0.000 1.071 182 L CA 2.013 56.762 54.840 -0.152 0.000 0.751 182 L CB -1.126 40.858 42.059 -0.126 0.000 0.889 182 L HN 0.596 nan 8.230 nan 0.000 0.432 183 T N -3.716 110.606 114.554 -0.387 0.000 2.912 183 T HA 0.497 4.921 4.350 0.123 0.000 0.288 183 T C -1.166 173.158 174.700 -0.627 0.000 1.030 183 T CA -0.693 61.232 62.100 -0.291 0.000 1.020 183 T CB 1.816 70.592 68.868 -0.153 0.000 1.056 183 T HN 0.091 nan 8.240 nan 0.000 0.480 184 W N 0.057 121.308 121.300 -0.082 0.000 2.882 184 W HA 0.666 5.399 4.660 0.122 0.000 0.345 184 W C -0.560 175.832 176.519 -0.212 0.000 1.125 184 W CA -0.844 56.391 57.345 -0.184 0.000 1.167 184 W CB 2.113 31.399 29.460 -0.291 0.000 1.431 184 W HN 0.664 nan 8.180 nan 0.000 0.543 185 S N 1.108 116.782 115.700 -0.043 0.000 2.605 185 S HA 0.384 4.928 4.470 0.123 0.000 0.308 185 S C -0.995 173.536 174.600 -0.115 0.000 1.113 185 S CA -0.848 57.333 58.200 -0.032 0.000 1.049 185 S CB 0.481 63.685 63.200 0.007 0.000 1.001 185 S HN 0.330 nan 8.310 nan 0.000 0.480 186 H N 2.462 121.573 119.070 0.069 0.000 2.472 186 H HA 0.614 5.244 4.556 0.123 0.000 0.335 186 H C -0.075 175.267 175.328 0.024 0.000 1.136 186 H CA -0.588 55.478 56.048 0.031 0.000 1.264 186 H CB 1.232 30.979 29.762 -0.026 0.000 1.486 186 H HN 0.416 nan 8.280 nan 0.000 0.517 187 R N 0.488 121.061 120.500 0.121 0.000 2.698 187 R HA 0.328 4.742 4.340 0.123 0.000 0.275 187 R C -0.996 175.347 176.300 0.072 0.000 1.001 187 R CA -0.684 55.469 56.100 0.088 0.000 0.896 187 R CB 2.072 32.431 30.300 0.099 0.000 1.218 187 R HN 0.460 nan 8.270 nan 0.000 0.462 188 T N 2.721 117.314 114.554 0.066 0.000 2.758 188 T HA 0.327 4.751 4.350 0.123 0.000 0.285 188 T C 0.770 175.522 174.700 0.086 0.000 0.981 188 T CA -0.553 61.595 62.100 0.079 0.000 0.965 188 T CB 0.491 69.373 68.868 0.024 0.000 0.927 188 T HN 0.628 nan 8.240 nan 0.000 0.448 189 I N 0.108 120.742 120.570 0.107 0.000 3.877 189 I HA 0.258 4.502 4.170 0.123 0.000 0.332 189 I C 1.408 177.591 176.117 0.109 0.000 1.525 189 I CA -0.484 60.882 61.300 0.109 0.000 1.146 189 I CB -0.171 37.892 38.000 0.104 0.000 1.137 189 I HN 0.367 nan 8.210 nan 0.000 0.424 190 T N 1.404 116.051 114.554 0.155 0.000 2.759 190 T HA -0.132 4.291 4.350 0.123 0.000 0.269 190 T C 2.083 176.855 174.700 0.120 0.000 1.042 190 T CA 1.937 64.146 62.100 0.181 0.000 1.140 190 T CB -0.037 69.049 68.868 0.363 0.000 0.864 190 T HN 0.639 nan 8.240 nan 0.000 0.455 191 A N 1.695 124.577 122.820 0.102 0.000 1.929 191 A HA -0.052 4.342 4.320 0.123 0.000 0.216 191 A C 2.028 179.635 177.584 0.038 0.000 1.176 191 A CA 1.393 53.468 52.037 0.063 0.000 0.628 191 A CB -0.501 18.533 19.000 0.056 0.000 0.816 191 A HN 0.335 nan 8.150 nan 0.000 0.444 192 D N 0.198 120.630 120.400 0.053 0.000 2.144 192 D HA -0.124 4.590 4.640 0.123 0.000 0.199 192 D C 1.604 177.915 176.300 0.018 0.000 0.984 192 D CA 1.605 55.633 54.000 0.048 0.000 0.834 192 D CB -0.248 40.617 40.800 0.108 0.000 0.955 192 D HN 0.711 nan 8.370 nan 0.000 0.465 193 I N -2.558 118.017 120.570 0.008 0.000 3.904 193 I HA 0.218 4.462 4.170 0.123 0.000 0.333 193 I C -0.273 175.858 176.117 0.023 0.000 1.361 193 I CA 0.151 61.431 61.300 -0.033 0.000 1.116 193 I CB 0.313 38.209 38.000 -0.173 0.000 1.028 193 I HN -0.321 nan 8.210 nan 0.000 0.398 194 T N 4.429 118.986 114.554 0.003 0.000 3.390 194 T HA 0.316 4.740 4.350 0.123 0.000 0.315 194 T C -1.387 173.161 174.700 -0.253 0.000 1.799 194 T CA -0.776 61.300 62.100 -0.041 0.000 1.553 194 T CB 0.569 69.464 68.868 0.045 0.000 1.002 194 T HN 0.267 nan 8.240 nan 0.000 0.715 195 P HA -0.030 nan 4.420 nan 0.000 0.226 195 P C 0.006 177.024 177.300 -0.470 0.000 1.146 195 P CA 0.989 63.893 63.100 -0.326 0.000 0.773 195 P CB 0.390 31.947 31.700 -0.238 0.000 0.772 196 D N -0.029 119.877 120.400 -0.824 0.000 2.593 196 D HA 0.159 4.873 4.640 0.123 0.000 0.251 196 D C -1.688 174.328 176.300 -0.474 0.000 1.140 196 D CA -2.521 51.020 54.000 -0.765 0.000 0.855 196 D CB 2.059 42.021 40.800 -1.397 0.000 1.267 196 D HN -0.122 nan 8.370 nan 0.000 0.532 197 P HA -0.086 nan 4.420 nan 0.000 0.222 197 P C 1.129 178.419 177.300 -0.017 0.000 1.142 197 P CA 0.623 63.665 63.100 -0.095 0.000 0.788 197 P CB 0.309 31.969 31.700 -0.066 0.000 0.767 198 G N -1.500 107.298 108.800 -0.004 0.000 2.572 198 G HA2 -0.139 3.895 3.960 0.123 0.000 0.216 198 G HA3 -0.139 3.895 3.960 0.123 0.000 0.216 198 G C 0.460 175.594 174.900 0.390 0.000 1.133 198 G CA -0.425 44.775 45.100 0.165 0.000 0.791 198 G HN 0.293 nan 8.290 nan 0.000 0.538 199 W N 1.660 122.956 121.300 -0.008 0.000 2.688 199 W HA 0.209 4.943 4.660 0.124 0.000 0.402 199 W C 1.613 178.113 176.519 -0.032 0.000 1.188 199 W CA -1.021 56.316 57.345 -0.013 0.000 1.561 199 W CB 0.365 29.820 29.460 -0.009 0.000 1.653 199 W HN 0.141 nan 8.180 nan 0.000 0.442 200 R N 1.686 122.282 120.500 0.160 0.000 2.115 200 R HA -0.051 4.363 4.340 0.123 0.000 0.226 200 R C 0.663 176.940 176.300 -0.037 0.000 1.100 200 R CA 1.067 57.186 56.100 0.032 0.000 0.980 200 R CB 0.289 30.576 30.300 -0.021 0.000 0.875 200 R HN 0.238 nan 8.270 nan 0.000 0.445 201 S N -0.939 114.719 115.700 -0.070 0.000 2.607 201 S HA 0.572 5.116 4.470 0.123 0.000 0.273 201 S C -1.858 172.796 174.600 0.091 0.000 1.148 201 S CA -0.994 57.148 58.200 -0.096 0.000 0.833 201 S CB 1.467 64.405 63.200 -0.437 0.000 1.130 201 S HN 0.424 nan 8.310 nan 0.000 0.470 202 R N 0.816 121.512 120.500 0.328 0.000 2.728 202 R HA 0.606 5.020 4.340 0.123 0.000 0.274 202 R C -2.231 174.449 176.300 0.632 0.000 1.032 202 R CA -0.679 55.718 56.100 0.495 0.000 0.866 202 R CB 0.309 30.777 30.300 0.280 0.000 1.263 202 R HN 0.944 nan 8.270 nan 0.000 0.475 203 F N -1.578 118.502 119.950 0.217 0.000 2.708 203 F HA 0.752 5.353 4.527 0.123 0.000 0.309 203 F C -1.717 173.949 175.800 -0.225 0.000 1.120 203 F CA -0.776 57.246 58.000 0.036 0.000 0.978 203 F CB 0.923 39.858 39.000 -0.108 0.000 1.283 203 F HN 0.827 nan 8.300 nan 0.000 0.439 204 A N 1.955 124.412 122.820 -0.606 0.000 2.366 204 A HA 0.753 5.147 4.320 0.123 0.000 0.272 204 A C 0.195 177.373 177.584 -0.676 0.000 1.135 204 A CA -0.180 51.190 52.037 -1.111 0.000 0.804 204 A CB -0.008 18.431 19.000 -0.935 0.000 1.064 204 A HN 1.826 nan 8.150 nan 0.000 0.499 205 A N 3.374 125.782 122.820 -0.685 0.000 2.444 205 A HA 0.496 4.890 4.320 0.123 0.000 0.273 205 A C 0.992 178.432 177.584 -0.241 0.000 1.136 205 A CA 0.233 52.017 52.037 -0.423 0.000 0.799 205 A CB -0.663 18.110 19.000 -0.378 0.000 1.081 205 A HN 1.678 nan 8.150 nan 0.000 0.509 206 S N 2.425 118.070 115.700 -0.091 0.000 2.573 206 S HA 0.600 5.144 4.470 0.123 0.000 0.277 206 S C 1.011 175.608 174.600 -0.005 0.000 1.346 206 S CA 0.168 58.362 58.200 -0.009 0.000 1.034 206 S CB 1.077 64.338 63.200 0.102 0.000 0.879 206 S HN 2.388 nan 8.310 nan 0.000 0.528 207 G N 0.899 109.720 108.800 0.035 0.000 1.742 207 G HA2 0.088 4.122 3.960 0.123 0.000 0.185 207 G HA3 0.088 4.122 3.960 0.123 0.000 0.185 207 G C -0.668 174.296 174.900 0.106 0.000 1.174 207 G CA -0.041 45.098 45.100 0.065 0.000 1.276 207 G HN 1.088 nan 8.290 nan 0.000 0.424 208 E N -0.286 119.959 120.200 0.076 0.000 2.451 208 E HA 0.502 4.926 4.350 0.123 0.000 0.295 208 E C 0.271 176.911 176.600 0.066 0.000 0.966 208 E CA -0.040 56.436 56.400 0.126 0.000 0.808 208 E CB 0.936 30.740 29.700 0.173 0.000 1.242 208 E HN 0.996 nan 8.360 nan 0.000 0.412 209 G N 2.785 111.627 108.800 0.071 0.000 2.508 209 G HA2 0.631 4.665 3.960 0.123 0.000 0.278 209 G HA3 0.631 4.665 3.960 0.123 0.000 0.278 209 G C 0.132 175.083 174.900 0.085 0.000 1.389 209 G CA -0.175 44.940 45.100 0.025 0.000 1.050 209 G HN 0.583 nan 8.290 nan 0.000 0.522 210 I N -4.163 116.459 120.570 0.087 0.000 3.264 210 I HA 0.718 4.962 4.170 0.123 0.000 0.315 210 I C -1.078 175.113 176.117 0.124 0.000 1.154 210 I CA -1.248 60.110 61.300 0.097 0.000 0.962 210 I CB 2.489 40.524 38.000 0.058 0.000 1.265 210 I HN 0.487 nan 8.210 nan 0.000 0.463 211 Q N 2.469 122.330 119.800 0.102 0.000 2.290 211 Q HA 0.556 4.970 4.340 0.123 0.000 0.269 211 Q C -1.765 174.266 176.000 0.051 0.000 1.016 211 Q CA -0.645 55.220 55.803 0.103 0.000 0.754 211 Q CB 1.993 30.809 28.738 0.129 0.000 1.247 211 Q HN 0.755 nan 8.270 nan 0.000 0.451 212 L N 3.369 124.620 121.223 0.048 0.000 2.483 212 L HA 0.140 4.554 4.340 0.123 0.000 0.276 212 L C 1.060 177.926 176.870 -0.008 0.000 1.213 212 L CA -0.121 54.730 54.840 0.018 0.000 0.843 212 L CB 0.363 42.467 42.059 0.074 0.000 1.107 212 L HN 0.754 nan 8.230 nan 0.000 0.487 213 R N 1.023 121.456 120.500 -0.112 0.000 2.276 213 R HA 0.175 4.589 4.340 0.123 0.000 0.195 213 R C -0.267 176.077 176.300 0.073 0.000 0.908 213 R CA 0.331 56.373 56.100 -0.097 0.000 1.083 213 R CB 0.019 30.148 30.300 -0.286 0.000 1.182 213 R HN 0.345 nan 8.270 nan 0.000 0.608 214 Y N 0.563 120.903 120.300 0.067 0.000 2.392 214 Y HA 0.552 5.175 4.550 0.122 0.000 0.323 214 Y C 1.555 177.478 175.900 0.039 0.000 1.291 214 Y CA -0.681 57.449 58.100 0.050 0.000 1.345 214 Y CB -0.193 38.298 38.460 0.052 0.000 1.320 214 Y HN 0.396 nan 8.280 nan 0.000 0.518 215 G N 1.256 110.170 108.800 0.190 0.000 2.692 215 G HA2 -0.215 3.819 3.960 0.123 0.000 0.248 215 G HA3 -0.215 3.819 3.960 0.123 0.000 0.248 215 G C -1.710 173.178 174.900 -0.020 0.000 1.340 215 G CA -0.293 44.846 45.100 0.064 0.000 0.896 215 G HN 0.594 nan 8.290 nan 0.000 0.570 216 P HA 0.042 nan 4.420 nan 0.000 0.242 216 P C 0.545 177.584 177.300 -0.435 0.000 1.197 216 P CA 1.506 64.415 63.100 -0.319 0.000 0.765 216 P CB -0.120 31.322 31.700 -0.430 0.000 0.936 217 H N -0.942 118.137 119.070 0.016 0.000 2.581 217 H HA 0.464 5.093 4.556 0.123 0.000 0.275 217 H C 0.596 175.940 175.328 0.027 0.000 1.126 217 H CA -0.486 55.567 56.048 0.008 0.000 1.097 217 H CB 0.240 29.989 29.762 -0.021 0.000 1.626 217 H HN 0.065 nan 8.280 nan 0.000 0.565 218 A N 1.012 123.888 122.820 0.094 0.000 2.548 218 A HA 0.392 4.786 4.320 0.123 0.000 0.247 218 A C 1.598 179.230 177.584 0.081 0.000 1.067 218 A CA 1.094 53.186 52.037 0.090 0.000 0.757 218 A CB -0.533 18.521 19.000 0.090 0.000 0.996 218 A HN 0.745 nan 8.150 nan 0.000 0.504 219 G N 1.622 110.467 108.800 0.075 0.000 2.307 219 G HA2 -0.212 3.822 3.960 0.123 0.000 0.210 219 G HA3 -0.212 3.822 3.960 0.123 0.000 0.210 219 G C 0.575 175.474 174.900 -0.002 0.000 1.005 219 G CA 0.214 45.349 45.100 0.058 0.000 0.634 219 G HN 1.082 nan 8.290 nan 0.000 0.496 220 R N 1.159 121.678 120.500 0.032 0.000 2.623 220 R HA 0.475 4.889 4.340 0.123 0.000 0.271 220 R C 0.085 176.429 176.300 0.073 0.000 1.043 220 R CA -0.067 56.054 56.100 0.036 0.000 1.083 220 R CB 0.043 30.389 30.300 0.076 0.000 0.974 220 R HN 0.306 nan 8.270 nan 0.000 0.436 221 L N 5.721 127.005 121.223 0.101 0.000 2.325 221 L HA 0.518 4.932 4.340 0.123 0.000 0.279 221 L C -0.142 176.900 176.870 0.287 0.000 1.054 221 L CA -0.783 54.184 54.840 0.213 0.000 0.804 221 L CB 1.419 43.644 42.059 0.275 0.000 1.200 221 L HN 0.582 nan 8.230 nan 0.000 0.436 222 I N 2.320 123.015 120.570 0.208 0.000 2.569 222 I HA 0.352 4.596 4.170 0.123 0.000 0.290 222 I C -0.953 175.166 176.117 0.002 0.000 1.088 222 I CA -0.580 60.802 61.300 0.136 0.000 1.047 222 I CB 2.289 40.300 38.000 0.018 0.000 1.237 222 I HN 0.482 nan 8.210 nan 0.000 0.421 223 Q N 5.339 125.072 119.800 -0.112 0.000 2.285 223 Q HA 0.382 4.796 4.340 0.123 0.000 0.269 223 Q C -1.491 174.371 176.000 -0.230 0.000 1.030 223 Q CA -0.652 54.921 55.803 -0.382 0.000 0.788 223 Q CB 1.844 29.937 28.738 -1.074 0.000 1.266 223 Q HN 0.389 nan 8.270 nan 0.000 0.438 224 Q N 2.534 122.182 119.800 -0.253 0.000 2.259 224 Q HA 0.378 4.792 4.340 0.123 0.000 0.246 224 Q C -0.846 174.963 176.000 -0.319 0.000 0.920 224 Q CA 0.091 55.786 55.803 -0.180 0.000 0.895 224 Q CB 0.911 29.534 28.738 -0.192 0.000 1.220 224 Q HN 0.657 nan 8.270 nan 0.000 0.439 225 Y N -0.800 119.331 120.300 -0.282 0.000 2.662 225 Y HA 0.472 5.096 4.550 0.124 0.000 0.335 225 Y C -0.058 175.618 175.900 -0.374 0.000 1.066 225 Y CA -0.727 57.162 58.100 -0.352 0.000 1.116 225 Y CB 2.255 40.577 38.460 -0.230 0.000 1.308 225 Y HN 0.350 nan 8.280 nan 0.000 0.502 226 T N 3.749 118.124 114.554 -0.299 0.000 2.881 226 T HA 0.593 5.016 4.350 0.123 0.000 0.291 226 T C -0.737 173.936 174.700 -0.046 0.000 0.990 226 T CA -0.614 61.343 62.100 -0.238 0.000 0.976 226 T CB 0.384 69.032 68.868 -0.367 0.000 0.970 226 T HN 0.535 nan 8.240 nan 0.000 0.438 227 I N 0.205 120.698 120.570 -0.128 0.000 2.982 227 I HA 0.717 4.961 4.170 0.123 0.000 0.312 227 I C -1.033 174.944 176.117 -0.233 0.000 1.041 227 I CA -1.507 59.663 61.300 -0.218 0.000 1.053 227 I CB 1.779 39.339 38.000 -0.734 0.000 1.248 227 I HN 0.526 nan 8.210 nan 0.000 0.471 228 I N 3.644 124.047 120.570 -0.277 0.000 2.420 228 I HA 0.238 4.482 4.170 0.123 0.000 0.282 228 I C -0.417 175.621 176.117 -0.131 0.000 1.019 228 I CA -0.656 60.484 61.300 -0.268 0.000 1.130 228 I CB 1.319 39.055 38.000 -0.441 0.000 1.262 228 I HN 0.708 nan 8.210 nan 0.000 0.454 229 N N 5.414 124.063 118.700 -0.084 0.000 2.328 229 N HA 0.216 5.030 4.740 0.123 0.000 0.277 229 N C 1.134 176.728 175.510 0.139 0.000 1.286 229 N CA -0.064 53.023 53.050 0.062 0.000 0.949 229 N CB 0.420 38.937 38.487 0.050 0.000 1.136 229 N HN 0.526 nan 8.380 nan 0.000 0.550 230 A N -0.602 122.341 122.820 0.204 0.000 1.908 230 A HA 0.004 4.398 4.320 0.123 0.000 0.218 230 A C 1.934 179.574 177.584 0.094 0.000 1.181 230 A CA 2.215 54.334 52.037 0.137 0.000 0.627 230 A CB -1.521 17.559 19.000 0.133 0.000 0.818 230 A HN 0.912 nan 8.150 nan 0.000 0.445 231 A N -1.441 121.438 122.820 0.097 0.000 2.265 231 A HA 0.414 4.808 4.320 0.123 0.000 0.213 231 A C 1.730 179.361 177.584 0.077 0.000 1.255 231 A CA 1.101 53.184 52.037 0.077 0.000 0.862 231 A CB -1.426 17.618 19.000 0.074 0.000 0.852 231 A HN 1.950 nan 8.150 nan 0.000 0.484 232 G N -1.972 106.880 108.800 0.086 0.000 2.189 232 G HA2 -0.007 4.027 3.960 0.123 0.000 0.267 232 G HA3 -0.007 4.027 3.960 0.123 0.000 0.267 232 G C 0.475 175.491 174.900 0.194 0.000 0.975 232 G CA 0.494 45.661 45.100 0.111 0.000 0.644 232 G HN 1.686 nan 8.290 nan 0.000 0.537 233 A N -0.219 122.705 122.820 0.172 0.000 2.316 233 A HA 0.748 5.142 4.320 0.123 0.000 0.284 233 A C -0.216 177.598 177.584 0.383 0.000 1.115 233 A CA -0.386 51.782 52.037 0.220 0.000 0.812 233 A CB 0.431 19.499 19.000 0.113 0.000 1.064 233 A HN 0.524 nan 8.150 nan 0.000 0.489 234 F N 1.067 121.023 119.950 0.010 0.000 2.410 234 F HA 0.450 5.051 4.527 0.123 0.000 0.349 234 F C 0.868 176.658 175.800 -0.016 0.000 1.117 234 F CA -0.386 57.638 58.000 0.040 0.000 1.104 234 F CB 1.166 40.236 39.000 0.118 0.000 1.122 234 F HN 0.612 nan 8.300 nan 0.000 0.483 235 Q N 1.192 121.029 119.800 0.061 0.000 2.587 235 Q HA 0.863 5.277 4.340 0.123 0.000 0.293 235 Q C -1.178 174.775 176.000 -0.079 0.000 1.083 235 Q CA -1.496 54.287 55.803 -0.033 0.000 0.792 235 Q CB 2.789 31.448 28.738 -0.131 0.000 1.484 235 Q HN 0.648 nan 8.270 nan 0.000 0.446 236 A N 0.755 123.524 122.820 -0.085 0.000 2.318 236 A HA 0.721 5.115 4.320 0.123 0.000 0.324 236 A C -1.262 176.274 177.584 -0.080 0.000 1.170 236 A CA -0.551 51.420 52.037 -0.110 0.000 0.810 236 A CB 1.415 20.327 19.000 -0.146 0.000 1.198 236 A HN 0.339 nan 8.150 nan 0.000 0.484 237 V N 2.226 122.112 119.914 -0.048 0.000 2.808 237 V HA 0.596 4.790 4.120 0.123 0.000 0.308 237 V C -0.315 175.839 176.094 0.099 0.000 1.099 237 V CA -0.328 62.003 62.300 0.052 0.000 0.920 237 V CB 2.403 34.254 31.823 0.047 0.000 1.014 237 V HN 0.927 nan 8.190 nan 0.000 0.425 238 S N 4.507 120.318 115.700 0.185 0.000 2.499 238 S HA 0.622 5.166 4.470 0.123 0.000 0.279 238 S C -0.478 174.282 174.600 0.266 0.000 1.219 238 S CA -0.345 57.975 58.200 0.200 0.000 1.062 238 S CB 1.384 64.699 63.200 0.192 0.000 0.978 238 S HN 0.635 nan 8.310 nan 0.000 0.489 239 V N 5.768 125.810 119.914 0.214 0.000 2.370 239 V HA 0.544 4.738 4.120 0.123 0.000 0.283 239 V C -0.812 175.491 176.094 0.349 0.000 1.023 239 V CA -0.534 61.861 62.300 0.159 0.000 0.857 239 V CB 0.459 32.280 31.823 -0.003 0.000 0.985 239 V HN 0.857 nan 8.190 nan 0.000 0.443 240 Y N 2.284 122.772 120.300 0.315 0.000 2.609 240 Y HA 0.857 5.481 4.550 0.123 0.000 0.342 240 Y C -0.396 175.638 175.900 0.223 0.000 1.058 240 Y CA -1.286 57.016 58.100 0.337 0.000 1.055 240 Y CB 2.022 40.574 38.460 0.154 0.000 1.292 240 Y HN 0.420 nan 8.280 nan 0.000 0.476 241 S N 0.371 116.123 115.700 0.087 0.000 2.557 241 S HA 0.378 4.921 4.470 0.123 0.000 0.291 241 S C -0.916 173.583 174.600 -0.168 0.000 1.116 241 S CA -0.607 57.361 58.200 -0.388 0.000 0.992 241 S CB 1.198 63.580 63.200 -1.362 0.000 1.028 241 S HN 0.808 nan 8.310 nan 0.000 0.484 242 D N 1.723 122.055 120.400 -0.114 0.000 2.379 242 D HA 0.103 4.817 4.640 0.123 0.000 0.208 242 D C -0.003 176.190 176.300 -0.177 0.000 1.065 242 D CA 0.360 54.316 54.000 -0.074 0.000 0.848 242 D CB 0.385 41.217 40.800 0.052 0.000 0.949 242 D HN 0.804 nan 8.370 nan 0.000 0.509 243 D N -0.477 119.792 120.400 -0.217 0.000 2.892 243 D HA 0.015 4.729 4.640 0.123 0.000 0.291 243 D C -0.460 175.783 176.300 -0.094 0.000 1.341 243 D CA -0.735 53.199 54.000 -0.110 0.000 0.844 243 D CB -0.532 40.233 40.800 -0.059 0.000 1.093 243 D HN 0.030 nan 8.370 nan 0.000 0.480 244 H N 0.210 119.231 119.070 -0.082 0.000 2.713 244 H HA -0.119 4.511 4.556 0.123 0.000 0.311 244 H C 1.582 176.900 175.328 -0.017 0.000 1.175 244 H CA 0.985 57.036 56.048 0.005 0.000 1.143 244 H CB -1.739 28.076 29.762 0.088 0.000 1.434 244 H HN 0.612 nan 8.280 nan 0.000 0.418 245 G N -1.076 107.439 108.800 -0.474 0.000 2.162 245 G HA2 -0.420 3.614 3.960 0.123 0.000 0.260 245 G HA3 -0.420 3.614 3.960 0.123 0.000 0.260 245 G C 1.508 176.153 174.900 -0.425 0.000 0.976 245 G CA 0.495 45.088 45.100 -0.844 0.000 0.655 245 G HN 0.422 nan 8.290 nan 0.000 0.533 246 R N 0.546 120.911 120.500 -0.225 0.000 2.092 246 R HA 0.068 4.482 4.340 0.123 0.000 0.231 246 R C 1.427 177.636 176.300 -0.151 0.000 1.119 246 R CA 1.789 57.838 56.100 -0.084 0.000 0.970 246 R CB -0.845 29.443 30.300 -0.020 0.000 0.864 246 R HN 0.778 nan 8.270 nan 0.000 0.440 247 T N -2.612 111.754 114.554 -0.313 0.000 2.893 247 T HA 0.539 4.963 4.350 0.123 0.000 0.293 247 T C -0.942 173.502 174.700 -0.427 0.000 1.027 247 T CA -0.771 61.194 62.100 -0.225 0.000 0.988 247 T CB 1.749 70.549 68.868 -0.113 0.000 1.043 247 T HN 0.112 nan 8.240 nan 0.000 0.461 248 W N 2.375 123.645 121.300 -0.050 0.000 2.538 248 W HA 0.580 5.314 4.660 0.123 0.000 0.322 248 W C 0.299 176.730 176.519 -0.148 0.000 1.028 248 W CA -1.013 56.281 57.345 -0.084 0.000 1.228 248 W CB 1.585 31.038 29.460 -0.012 0.000 1.356 248 W HN 0.754 nan 8.180 nan 0.000 0.452 249 R N 2.053 122.502 120.500 -0.085 0.000 2.787 249 R HA 0.970 5.384 4.340 0.123 0.000 0.271 249 R C -0.560 175.548 176.300 -0.319 0.000 0.993 249 R CA -1.200 54.774 56.100 -0.209 0.000 0.993 249 R CB 1.420 31.540 30.300 -0.300 0.000 1.155 249 R HN 0.406 nan 8.270 nan 0.000 0.486 250 A N 1.102 123.821 122.820 -0.169 0.000 2.312 250 A HA 0.677 5.071 4.320 0.123 0.000 0.326 250 A C 0.142 177.754 177.584 0.047 0.000 1.172 250 A CA -0.264 51.742 52.037 -0.050 0.000 0.821 250 A CB 1.242 20.276 19.000 0.056 0.000 1.166 250 A HN 0.856 nan 8.150 nan 0.000 0.493 251 G N 0.142 109.092 108.800 0.250 0.000 2.630 251 G HA2 0.500 4.534 3.960 0.123 0.000 0.223 251 G HA3 0.500 4.534 3.960 0.123 0.000 0.223 251 G C -0.475 174.607 174.900 0.304 0.000 1.434 251 G CA -0.478 44.855 45.100 0.387 0.000 1.057 251 G HN 0.731 nan 8.290 nan 0.000 0.570 252 E N -0.016 120.359 120.200 0.291 0.000 2.259 252 E HA 0.492 4.916 4.350 0.123 0.000 0.281 252 E C 0.501 177.267 176.600 0.276 0.000 1.037 252 E CA -0.140 56.418 56.400 0.264 0.000 0.854 252 E CB 1.320 31.141 29.700 0.202 0.000 1.051 252 E HN 0.603 nan 8.360 nan 0.000 0.409 253 A N 2.793 125.772 122.820 0.264 0.000 2.366 253 A HA 0.460 4.854 4.320 0.123 0.000 0.249 253 A C -0.413 177.250 177.584 0.132 0.000 1.084 253 A CA -0.461 51.667 52.037 0.151 0.000 0.794 253 A CB 0.465 19.494 19.000 0.049 0.000 1.034 253 A HN 0.414 nan 8.150 nan 0.000 0.491 254 V N -0.246 119.707 119.914 0.065 0.000 2.925 254 V HA 0.826 5.020 4.120 0.123 0.000 0.311 254 V C 0.632 176.739 176.094 0.021 0.000 1.104 254 V CA -0.214 62.124 62.300 0.063 0.000 0.954 254 V CB 0.530 32.384 31.823 0.053 0.000 1.022 254 V HN 2.526 nan 8.190 nan 0.000 0.427 255 G N 1.079 109.901 108.800 0.038 0.000 2.749 255 G HA2 0.106 4.140 3.960 0.123 0.000 0.242 255 G HA3 0.106 4.140 3.960 0.123 0.000 0.242 255 G C -0.681 174.240 174.900 0.035 0.000 1.364 255 G CA 0.149 45.267 45.100 0.030 0.000 0.888 255 G HN 1.849 nan 8.290 nan 0.000 0.566 256 V N -0.242 119.694 119.914 0.037 0.000 2.808 256 V HA 0.734 4.928 4.120 0.123 0.000 0.308 256 V C 1.035 177.150 176.094 0.036 0.000 1.099 256 V CA 1.476 63.802 62.300 0.044 0.000 0.920 256 V CB 1.255 33.099 31.823 0.034 0.000 1.014 256 V HN 3.085 nan 8.190 nan 0.000 0.425 257 G N 5.639 114.462 108.800 0.038 0.000 2.160 257 G HA2 -0.172 3.862 3.960 0.123 0.000 0.244 257 G HA3 -0.172 3.862 3.960 0.123 0.000 0.244 257 G C -0.024 174.907 174.900 0.052 0.000 1.022 257 G CA 0.563 45.664 45.100 0.001 0.000 0.741 257 G HN 0.601 nan 8.290 nan 0.000 0.508 258 M N -0.521 119.144 119.600 0.109 0.000 2.154 258 M HA 0.730 5.284 4.480 0.123 0.000 0.251 258 M C 0.598 176.998 176.300 0.167 0.000 1.200 258 M CA -0.339 55.014 55.300 0.090 0.000 0.967 258 M CB 0.603 33.229 32.600 0.044 0.000 1.362 258 M HN 0.291 nan 8.290 nan 0.000 0.522 259 D N -1.164 119.287 120.400 0.086 0.000 3.235 259 D HA 0.087 4.801 4.640 0.123 0.000 0.360 259 D C -1.388 174.877 176.300 -0.058 0.000 1.465 259 D CA -0.400 53.658 54.000 0.097 0.000 0.874 259 D CB 0.534 41.424 40.800 0.149 0.000 1.465 259 D HN 0.533 nan 8.370 nan 0.000 0.533 260 E N 0.737 120.885 120.200 -0.087 0.000 3.025 260 E HA 0.066 4.490 4.350 0.123 0.000 0.248 260 E C -0.168 176.338 176.600 -0.155 0.000 0.938 260 E CA 0.734 57.020 56.400 -0.189 0.000 0.958 260 E CB -0.627 28.994 29.700 -0.131 0.000 0.898 260 E HN 0.296 nan 8.360 nan 0.000 0.537 261 N N 1.972 120.559 118.700 -0.189 0.000 2.328 261 N HA 0.487 5.301 4.740 0.123 0.000 0.299 261 N C -1.130 174.297 175.510 -0.138 0.000 1.179 261 N CA -1.135 51.830 53.050 -0.143 0.000 0.793 261 N CB 1.655 40.048 38.487 -0.157 0.000 1.366 261 N HN 0.004 nan 8.380 nan 0.000 0.493 262 K N 0.340 120.688 120.400 -0.086 0.000 2.426 262 K HA 0.538 4.932 4.320 0.123 0.000 0.251 262 K C -1.052 175.532 176.600 -0.026 0.000 0.941 262 K CA -0.596 55.660 56.287 -0.051 0.000 0.808 262 K CB 1.924 34.424 32.500 -0.000 0.000 1.265 262 K HN 0.900 nan 8.250 nan 0.000 0.432 263 T N -1.925 112.623 114.554 -0.010 0.000 2.908 263 T HA 0.805 5.229 4.350 0.123 0.000 0.290 263 T C -0.138 174.601 174.700 0.064 0.000 1.034 263 T CA -0.784 61.333 62.100 0.029 0.000 1.010 263 T CB 1.458 70.340 68.868 0.024 0.000 1.068 263 T HN 0.197 nan 8.240 nan 0.000 0.481 264 V N 0.037 120.008 119.914 0.096 0.000 3.049 264 V HA 0.556 4.750 4.120 0.123 0.000 0.309 264 V C -0.486 175.667 176.094 0.099 0.000 1.148 264 V CA -1.159 61.200 62.300 0.097 0.000 0.990 264 V CB 1.954 33.853 31.823 0.126 0.000 1.039 264 V HN 1.061 nan 8.190 nan 0.000 0.430 265 E N 2.073 122.316 120.200 0.072 0.000 2.167 265 E HA 0.514 4.938 4.350 0.123 0.000 0.284 265 E C -0.887 175.779 176.600 0.110 0.000 1.016 265 E CA -0.388 56.052 56.400 0.067 0.000 0.817 265 E CB 1.053 30.735 29.700 -0.030 0.000 1.080 265 E HN 0.535 nan 8.360 nan 0.000 0.397 266 L N 2.300 123.614 121.223 0.151 0.000 2.479 266 L HA 0.043 4.457 4.340 0.123 0.000 0.248 266 L C 1.932 178.957 176.870 0.258 0.000 1.205 266 L CA -0.035 54.904 54.840 0.165 0.000 0.817 266 L CB 0.703 42.840 42.059 0.130 0.000 1.162 266 L HN 0.663 nan 8.230 nan 0.000 0.486 267 S N -0.737 115.091 115.700 0.213 0.000 2.465 267 S HA -0.162 4.382 4.470 0.123 0.000 0.241 267 S C 0.852 175.523 174.600 0.119 0.000 1.000 267 S CA 1.182 59.517 58.200 0.225 0.000 0.964 267 S CB -0.424 62.842 63.200 0.110 0.000 0.763 267 S HN 0.837 nan 8.310 nan 0.000 0.512 268 D N -1.010 119.466 120.400 0.127 0.000 2.440 268 D HA 0.348 5.062 4.640 0.123 0.000 0.216 268 D C 1.316 177.697 176.300 0.136 0.000 1.150 268 D CA 0.362 54.394 54.000 0.053 0.000 0.832 268 D CB -0.193 40.625 40.800 0.030 0.000 0.992 268 D HN 0.512 nan 8.370 nan 0.000 0.502 269 G N 0.537 109.524 108.800 0.310 0.000 2.234 269 G HA2 -0.291 3.743 3.960 0.123 0.000 0.235 269 G HA3 -0.291 3.743 3.960 0.123 0.000 0.235 269 G C 0.428 175.435 174.900 0.179 0.000 0.997 269 G CA -0.254 45.017 45.100 0.284 0.000 0.623 269 G HN 0.393 nan 8.290 nan 0.000 0.514 270 R N 0.120 120.704 120.500 0.140 0.000 2.679 270 R HA 0.400 4.814 4.340 0.123 0.000 0.268 270 R C -0.168 176.212 176.300 0.133 0.000 1.044 270 R CA 0.269 56.435 56.100 0.109 0.000 1.105 270 R CB 1.007 31.360 30.300 0.088 0.000 0.989 270 R HN 0.123 nan 8.270 nan 0.000 0.447 271 V N 5.343 125.341 119.914 0.140 0.000 2.334 271 V HA 0.179 4.373 4.120 0.123 0.000 0.281 271 V C -0.197 176.052 176.094 0.259 0.000 1.016 271 V CA -0.700 61.708 62.300 0.181 0.000 0.832 271 V CB 1.233 33.168 31.823 0.187 0.000 0.999 271 V HN 0.506 nan 8.190 nan 0.000 0.439 272 L N 5.796 127.143 121.223 0.207 0.000 2.350 272 L HA 0.609 5.023 4.340 0.123 0.000 0.275 272 L C -0.576 176.396 176.870 0.170 0.000 1.099 272 L CA 0.167 55.127 54.840 0.200 0.000 0.808 272 L CB 1.199 43.350 42.059 0.152 0.000 1.149 272 L HN 0.655 nan 8.230 nan 0.000 0.442 273 L N 4.837 126.119 121.223 0.098 0.000 2.356 273 L HA 0.521 4.935 4.340 0.123 0.000 0.277 273 L C -1.199 175.647 176.870 -0.040 0.000 0.996 273 L CA -0.453 54.345 54.840 -0.069 0.000 0.822 273 L CB 1.490 43.290 42.059 -0.433 0.000 1.256 273 L HN 0.785 nan 8.230 nan 0.000 0.413 274 N N 2.443 121.132 118.700 -0.019 0.000 2.483 274 N HA 0.328 5.142 4.740 0.123 0.000 0.267 274 N C -1.410 174.098 175.510 -0.003 0.000 0.998 274 N CA -0.162 52.893 53.050 0.008 0.000 0.918 274 N CB 1.593 40.126 38.487 0.076 0.000 1.215 274 N HN 0.493 nan 8.380 nan 0.000 0.500 275 S N 2.010 117.698 115.700 -0.021 0.000 2.537 275 S HA 0.403 4.947 4.470 0.123 0.000 0.301 275 S C -0.331 174.271 174.600 0.002 0.000 1.092 275 S CA -0.865 57.320 58.200 -0.026 0.000 1.048 275 S CB 0.818 63.989 63.200 -0.048 0.000 1.053 275 S HN 0.595 nan 8.310 nan 0.000 0.501 276 R N 1.891 122.386 120.500 -0.009 0.000 2.641 276 R HA 0.127 4.541 4.340 0.123 0.000 0.269 276 R C -1.068 175.245 176.300 0.021 0.000 1.074 276 R CA -0.065 56.037 56.100 0.002 0.000 1.133 276 R CB 0.376 30.665 30.300 -0.019 0.000 1.029 276 R HN 0.613 nan 8.270 nan 0.000 0.488 277 D N 1.520 121.936 120.400 0.028 0.000 2.460 277 D HA 0.073 4.787 4.640 0.123 0.000 0.232 277 D C 0.774 177.089 176.300 0.026 0.000 1.079 277 D CA -0.302 53.718 54.000 0.032 0.000 0.864 277 D CB 1.414 42.239 40.800 0.042 0.000 1.048 277 D HN 0.555 nan 8.370 nan 0.000 0.523 278 S N 2.426 118.145 115.700 0.032 0.000 2.442 278 S HA -0.138 4.406 4.470 0.123 0.000 0.236 278 S C 1.705 176.281 174.600 -0.041 0.000 1.007 278 S CA 0.625 58.828 58.200 0.005 0.000 0.965 278 S CB -0.121 63.074 63.200 -0.008 0.000 0.773 278 S HN 0.418 nan 8.310 nan 0.000 0.504 279 A N 1.397 124.199 122.820 -0.029 0.000 2.265 279 A HA 0.306 4.700 4.320 0.123 0.000 0.213 279 A C 0.697 178.284 177.584 0.005 0.000 1.255 279 A CA -0.521 51.503 52.037 -0.022 0.000 0.862 279 A CB -0.803 18.192 19.000 -0.008 0.000 0.852 279 A HN 0.491 nan 8.150 nan 0.000 0.484 280 R N -0.067 120.434 120.500 0.001 0.000 2.670 280 R HA -0.172 4.242 4.340 0.123 0.000 0.240 280 R C 0.755 177.064 176.300 0.015 0.000 0.829 280 R CA 0.691 56.792 56.100 0.002 0.000 0.606 280 R CB -1.736 28.557 30.300 -0.011 0.000 1.372 280 R HN 0.739 nan 8.270 nan 0.000 0.525 281 S N -0.071 115.650 115.700 0.035 0.000 2.572 281 S HA 0.226 4.770 4.470 0.123 0.000 0.228 281 S C 1.284 175.882 174.600 -0.002 0.000 0.963 281 S CA 0.255 58.496 58.200 0.068 0.000 0.939 281 S CB 1.179 64.462 63.200 0.138 0.000 0.804 281 S HN 0.972 nan 8.310 nan 0.000 0.480 282 G N 0.352 109.090 108.800 -0.103 0.000 2.179 282 G HA2 -0.250 3.784 3.960 0.123 0.000 0.257 282 G HA3 -0.250 3.784 3.960 0.123 0.000 0.257 282 G C -0.248 174.315 174.900 -0.561 0.000 1.010 282 G CA 0.746 45.663 45.100 -0.306 0.000 0.736 282 G HN 0.596 nan 8.290 nan 0.000 0.513 283 Y N -1.770 118.523 120.300 -0.012 0.000 2.705 283 Y HA 0.728 5.350 4.550 0.121 0.000 0.332 283 Y C 0.296 176.183 175.900 -0.023 0.000 1.221 283 Y CA -1.467 56.619 58.100 -0.023 0.000 1.059 283 Y CB 0.929 39.373 38.460 -0.027 0.000 1.298 283 Y HN 0.052 nan 8.280 nan 0.000 0.459 284 R N 1.483 122.088 120.500 0.175 0.000 2.368 284 R HA 0.448 4.862 4.340 0.123 0.000 0.302 284 R C -0.940 175.380 176.300 0.034 0.000 1.002 284 R CA -0.830 55.309 56.100 0.065 0.000 0.929 284 R CB 1.191 31.487 30.300 -0.006 0.000 1.073 284 R HN 0.614 nan 8.270 nan 0.000 0.464 285 K N 1.326 121.738 120.400 0.020 0.000 2.110 285 K HA 0.482 4.876 4.320 0.123 0.000 0.263 285 K C -0.008 176.584 176.600 -0.014 0.000 0.975 285 K CA -0.785 55.504 56.287 0.004 0.000 0.895 285 K CB 1.756 34.260 32.500 0.006 0.000 1.060 285 K HN 0.437 nan 8.250 nan 0.000 0.448 286 V N -2.013 117.894 119.914 -0.010 0.000 2.925 286 V HA 0.930 5.124 4.120 0.123 0.000 0.311 286 V C -1.191 174.913 176.094 0.018 0.000 1.104 286 V CA -0.786 61.513 62.300 -0.002 0.000 0.954 286 V CB 1.667 33.498 31.823 0.014 0.000 1.022 286 V HN 0.910 nan 8.190 nan 0.000 0.427 287 A N 2.636 125.475 122.820 0.032 0.000 2.556 287 A HA 0.972 5.366 4.320 0.123 0.000 0.294 287 A C -1.220 176.506 177.584 0.236 0.000 1.091 287 A CA -0.400 51.700 52.037 0.105 0.000 0.704 287 A CB 2.117 21.156 19.000 0.065 0.000 1.300 287 A HN 2.137 nan 8.150 nan 0.000 0.406 288 V N 0.243 120.340 119.914 0.305 0.000 2.876 288 V HA 0.858 5.052 4.120 0.123 0.000 0.312 288 V C -0.321 175.891 176.094 0.198 0.000 1.085 288 V CA 0.073 62.558 62.300 0.307 0.000 0.945 288 V CB 2.226 34.143 31.823 0.157 0.000 1.017 288 V HN 1.470 nan 8.190 nan 0.000 0.428 289 S N 2.234 117.937 115.700 0.004 0.000 2.542 289 S HA 0.669 5.213 4.470 0.123 0.000 0.293 289 S C 0.167 174.698 174.600 -0.116 0.000 1.089 289 S CA 0.216 58.242 58.200 -0.289 0.000 0.961 289 S CB 1.931 64.615 63.200 -0.859 0.000 1.062 289 S HN 1.208 nan 8.310 nan 0.000 0.483 290 T N -0.091 114.381 114.554 -0.137 0.000 3.288 290 T HA 0.358 4.782 4.350 0.123 0.000 0.293 290 T C -0.304 174.319 174.700 -0.129 0.000 1.008 290 T CA -0.338 61.715 62.100 -0.077 0.000 0.929 290 T CB -0.364 68.479 68.868 -0.041 0.000 1.152 290 T HN 0.673 nan 8.240 nan 0.000 0.517 291 D N 0.098 120.316 120.400 -0.303 0.000 2.837 291 D HA 0.582 5.296 4.640 0.123 0.000 0.294 291 D C -0.155 175.589 176.300 -0.927 0.000 1.158 291 D CA -0.913 52.840 54.000 -0.412 0.000 1.073 291 D CB 0.818 41.425 40.800 -0.322 0.000 1.419 291 D HN 0.129 nan 8.370 nan 0.000 0.584 292 G N -2.159 106.094 108.800 -0.913 0.000 4.142 292 G HA2 0.541 4.575 3.960 0.123 0.000 0.310 292 G HA3 0.541 4.575 3.960 0.123 0.000 0.310 292 G C 0.059 174.577 174.900 -0.636 0.000 1.384 292 G CA -0.296 43.931 45.100 -1.456 0.000 0.838 292 G HN 1.002 nan 8.290 nan 0.000 0.512 293 G N 0.673 109.176 108.800 -0.496 0.000 4.553 293 G HA2 0.001 4.035 3.960 0.123 0.000 0.222 293 G HA3 0.001 4.035 3.960 0.123 0.000 0.222 293 G C 0.164 175.055 174.900 -0.014 0.000 0.795 293 G CA -0.773 44.289 45.100 -0.062 0.000 1.181 293 G HN 0.615 nan 8.290 nan 0.000 0.766 294 H N 1.552 120.514 119.070 -0.180 0.000 2.914 294 H HA -0.075 4.555 4.556 0.123 0.000 0.233 294 H C 0.544 175.838 175.328 -0.057 0.000 0.714 294 H CA 2.026 57.971 56.048 -0.171 0.000 1.497 294 H CB -0.173 29.477 29.762 -0.187 0.000 1.288 294 H HN 0.779 nan 8.280 nan 0.000 0.464 295 S N 3.397 119.033 115.700 -0.106 0.000 2.541 295 S HA 0.636 5.180 4.470 0.123 0.000 0.271 295 S C -1.208 173.253 174.600 -0.232 0.000 1.133 295 S CA -1.050 57.136 58.200 -0.022 0.000 0.876 295 S CB 2.082 65.286 63.200 0.007 0.000 1.105 295 S HN 0.368 nan 8.310 nan 0.000 0.470 296 Y N 0.624 120.976 120.300 0.086 0.000 2.528 296 Y HA 0.758 5.381 4.550 0.123 0.000 0.335 296 Y C 1.265 177.197 175.900 0.054 0.000 1.093 296 Y CA -0.168 57.975 58.100 0.072 0.000 1.134 296 Y CB 1.342 39.843 38.460 0.069 0.000 1.253 296 Y HN 1.043 nan 8.280 nan 0.000 0.478 297 G N 0.938 109.844 108.800 0.177 0.000 2.514 297 G HA2 0.323 4.357 3.960 0.123 0.000 0.245 297 G HA3 0.323 4.357 3.960 0.123 0.000 0.245 297 G C -2.401 172.570 174.900 0.119 0.000 1.488 297 G CA -1.087 44.081 45.100 0.113 0.000 1.063 297 G HN 0.440 nan 8.290 nan 0.000 0.557 298 P HA 0.243 nan 4.420 nan 0.000 0.272 298 P C -0.557 176.781 177.300 0.064 0.000 1.223 298 P CA -0.210 62.929 63.100 0.066 0.000 0.784 298 P CB 1.376 33.103 31.700 0.046 0.000 0.923 299 V N 2.673 122.616 119.914 0.048 0.000 2.509 299 V HA 0.415 4.609 4.120 0.123 0.000 0.284 299 V C 1.010 177.116 176.094 0.021 0.000 1.047 299 V CA 0.217 62.536 62.300 0.032 0.000 0.952 299 V CB 1.015 32.850 31.823 0.021 0.000 0.988 299 V HN 0.909 nan 8.190 nan 0.000 0.469 300 T N 2.175 116.737 114.554 0.012 0.000 2.865 300 T HA 0.756 5.180 4.350 0.123 0.000 0.294 300 T C -0.859 173.832 174.700 -0.014 0.000 1.119 300 T CA -0.770 61.330 62.100 -0.001 0.000 1.007 300 T CB 1.653 70.519 68.868 -0.004 0.000 1.225 300 T HN 0.164 nan 8.240 nan 0.000 0.515 301 I N 1.864 122.412 120.570 -0.037 0.000 2.385 301 I HA 0.396 4.640 4.170 0.123 0.000 0.294 301 I C -0.183 175.851 176.117 -0.138 0.000 0.988 301 I CA -0.197 61.064 61.300 -0.065 0.000 1.265 301 I CB 1.297 39.255 38.000 -0.069 0.000 1.388 301 I HN 0.648 nan 8.210 nan 0.000 0.480 302 D N 5.513 125.829 120.400 -0.140 0.000 2.317 302 D HA 0.232 4.946 4.640 0.123 0.000 0.234 302 D C 0.832 176.912 176.300 -0.366 0.000 1.112 302 D CA -0.358 53.539 54.000 -0.171 0.000 0.840 302 D CB 1.015 41.752 40.800 -0.106 0.000 1.078 302 D HN 0.245 nan 8.370 nan 0.000 0.486 303 R N 2.506 122.726 120.500 -0.468 0.000 2.276 303 R HA 0.021 4.435 4.340 0.123 0.000 0.203 303 R C 0.293 176.487 176.300 -0.177 0.000 1.017 303 R CA 0.428 56.081 56.100 -0.745 0.000 1.010 303 R CB 0.150 30.168 30.300 -0.470 0.000 0.900 303 R HN 0.539 nan 8.270 nan 0.000 0.469 304 D N 0.435 120.794 120.400 -0.069 0.000 2.340 304 D HA 0.043 4.757 4.640 0.123 0.000 0.220 304 D C 0.399 176.685 176.300 -0.023 0.000 1.039 304 D CA 0.274 54.286 54.000 0.020 0.000 0.866 304 D CB 0.552 41.401 40.800 0.081 0.000 0.913 304 D HN 0.128 nan 8.370 nan 0.000 0.523 305 L N 3.233 124.463 121.223 0.011 0.000 2.603 305 L HA 0.269 4.683 4.340 0.123 0.000 0.242 305 L C -2.444 174.545 176.870 0.197 0.000 1.169 305 L CA -1.577 53.245 54.840 -0.030 0.000 1.029 305 L CB 0.935 42.843 42.059 -0.252 0.000 1.361 305 L HN -0.349 nan 8.230 nan 0.000 0.439 306 P HA 0.097 nan 4.420 nan 0.000 0.268 306 P C -1.013 176.238 177.300 -0.082 0.000 1.204 306 P CA 0.182 63.202 63.100 -0.133 0.000 0.768 306 P CB 1.489 33.122 31.700 -0.113 0.000 0.842 307 D N 3.196 123.509 120.400 -0.145 0.000 2.990 307 D HA 0.226 4.940 4.640 0.123 0.000 0.227 307 D C -2.175 174.070 176.300 -0.093 0.000 1.249 307 D CA -1.979 51.983 54.000 -0.063 0.000 0.891 307 D CB 1.670 42.476 40.800 0.009 0.000 1.647 307 D HN 0.096 nan 8.370 nan 0.000 0.530 308 P HA 0.105 nan 4.420 nan 0.000 0.256 308 P C -0.795 176.486 177.300 -0.032 0.000 1.335 308 P CA 0.146 63.211 63.100 -0.057 0.000 0.808 308 P CB -0.138 31.538 31.700 -0.041 0.000 1.305 309 T N -0.975 113.563 114.554 -0.026 0.000 3.460 309 T HA -0.152 4.272 4.350 0.123 0.000 0.416 309 T C -0.362 174.339 174.700 0.001 0.000 0.766 309 T CA 0.635 62.731 62.100 -0.006 0.000 2.180 309 T CB -2.197 66.671 68.868 -0.000 0.000 1.712 309 T HN 0.516 nan 8.240 nan 0.000 0.723 310 N N 0.141 118.826 118.700 -0.026 0.000 2.902 310 N HA 0.413 5.227 4.740 0.123 0.000 0.268 310 N C -0.557 174.839 175.510 -0.190 0.000 1.450 310 N CA -0.944 52.070 53.050 -0.060 0.000 0.819 310 N CB 1.496 39.968 38.487 -0.025 0.000 1.540 310 N HN 0.429 nan 8.380 nan 0.000 0.545 311 N N -0.679 117.740 118.700 -0.467 0.000 2.445 311 N HA 0.558 5.372 4.740 0.123 0.000 0.264 311 N C -1.373 173.933 175.510 -0.340 0.000 1.227 311 N CA -0.286 52.447 53.050 -0.528 0.000 0.963 311 N CB 0.975 38.827 38.487 -1.058 0.000 1.188 311 N HN 0.538 nan 8.380 nan 0.000 0.491 312 A N 0.467 123.124 122.820 -0.272 0.000 2.609 312 A HA 0.535 4.929 4.320 0.123 0.000 0.291 312 A C -1.363 176.041 177.584 -0.300 0.000 1.096 312 A CA -0.587 51.248 52.037 -0.337 0.000 0.684 312 A CB 1.575 20.349 19.000 -0.376 0.000 1.282 312 A HN 0.476 nan 8.150 nan 0.000 0.412 313 S N -0.235 115.209 115.700 -0.427 0.000 2.532 313 S HA 0.814 5.358 4.470 0.123 0.000 0.301 313 S C -1.142 173.365 174.600 -0.156 0.000 1.083 313 S CA -0.451 57.620 58.200 -0.214 0.000 1.025 313 S CB 0.809 63.929 63.200 -0.133 0.000 1.056 313 S HN 1.133 nan 8.310 nan 0.000 0.494 314 I N 5.893 126.512 120.570 0.083 0.000 2.571 314 I HA 0.528 4.772 4.170 0.123 0.000 0.286 314 I C -1.214 175.005 176.117 0.170 0.000 1.134 314 I CA -0.810 60.645 61.300 0.258 0.000 1.052 314 I CB 1.010 39.274 38.000 0.441 0.000 1.237 314 I HN 0.812 nan 8.210 nan 0.000 0.435 315 I N 3.982 124.645 120.570 0.155 0.000 3.108 315 I HA 0.627 4.871 4.170 0.123 0.000 0.312 315 I C -0.902 175.274 176.117 0.099 0.000 1.095 315 I CA -1.109 60.257 61.300 0.110 0.000 1.000 315 I CB 1.874 39.925 38.000 0.084 0.000 1.229 315 I HN 0.394 nan 8.210 nan 0.000 0.454 316 R N 2.020 122.567 120.500 0.078 0.000 2.265 316 R HA 0.421 4.835 4.340 0.123 0.000 0.314 316 R C 0.678 176.982 176.300 0.007 0.000 1.053 316 R CA 0.180 56.316 56.100 0.061 0.000 0.931 316 R CB 1.617 31.961 30.300 0.075 0.000 1.024 316 R HN 0.963 nan 8.270 nan 0.000 0.457 317 A N 3.862 126.611 122.820 -0.117 0.000 1.969 317 A HA -0.049 4.345 4.320 0.123 0.000 0.218 317 A C 0.261 177.533 177.584 -0.520 0.000 1.169 317 A CA 1.105 52.929 52.037 -0.354 0.000 0.635 317 A CB 0.038 18.665 19.000 -0.622 0.000 0.810 317 A HN 0.535 nan 8.150 nan 0.000 0.445 318 F N -0.376 119.686 119.950 0.187 0.000 2.564 318 F HA 0.334 4.929 4.527 0.114 0.000 0.361 318 F C -1.661 174.211 175.800 0.121 0.000 1.161 318 F CA -2.566 55.523 58.000 0.149 0.000 1.198 318 F CB 1.095 40.172 39.000 0.129 0.000 1.424 318 F HN 0.011 nan 8.300 nan 0.000 0.517 319 P HA -0.195 nan 4.420 nan 0.000 0.216 319 P C 0.366 177.734 177.300 0.112 0.000 1.150 319 P CA 1.629 64.798 63.100 0.116 0.000 0.843 319 P CB 0.463 32.214 31.700 0.085 0.000 0.787 320 D N -0.596 119.892 120.400 0.148 0.000 2.358 320 D HA 0.246 4.960 4.640 0.123 0.000 0.224 320 D C 0.779 177.184 176.300 0.176 0.000 1.123 320 D CA -0.051 54.032 54.000 0.138 0.000 0.833 320 D CB 0.182 41.047 40.800 0.109 0.000 0.946 320 D HN 0.149 nan 8.370 nan 0.000 0.505 321 A N 2.363 125.318 122.820 0.225 0.000 2.386 321 A HA 0.399 4.793 4.320 0.123 0.000 0.248 321 A C -2.076 175.669 177.584 0.268 0.000 1.082 321 A CA -0.859 51.306 52.037 0.213 0.000 0.789 321 A CB 0.159 19.303 19.000 0.240 0.000 1.025 321 A HN -0.048 nan 8.150 nan 0.000 0.490 322 P HA 0.368 nan 4.420 nan 0.000 0.276 322 P C -0.201 177.065 177.300 -0.057 0.000 1.244 322 P CA -0.117 63.047 63.100 0.105 0.000 0.801 322 P CB 0.865 32.584 31.700 0.031 0.000 1.006 323 A N 1.162 123.692 122.820 -0.483 0.000 2.531 323 A HA 0.386 4.780 4.320 0.123 0.000 0.236 323 A C 1.556 178.975 177.584 -0.276 0.000 1.062 323 A CA 0.956 52.537 52.037 -0.760 0.000 0.760 323 A CB -1.479 16.909 19.000 -1.019 0.000 0.995 323 A HN 0.892 nan 8.150 nan 0.000 0.501 324 G N 0.918 109.617 108.800 -0.168 0.000 2.347 324 G HA2 -0.254 3.780 3.960 0.123 0.000 0.247 324 G HA3 -0.254 3.780 3.960 0.123 0.000 0.247 324 G C 0.948 175.830 174.900 -0.030 0.000 1.037 324 G CA 1.187 46.241 45.100 -0.076 0.000 0.622 324 G HN 2.314 nan 8.290 nan 0.000 0.521 325 S N 0.664 116.352 115.700 -0.020 0.000 2.580 325 S HA 0.604 5.148 4.470 0.123 0.000 0.266 325 S C 1.774 176.391 174.600 0.027 0.000 1.354 325 S CA 0.644 58.845 58.200 0.003 0.000 1.008 325 S CB 1.458 64.665 63.200 0.012 0.000 0.898 325 S HN 1.809 nan 8.310 nan 0.000 0.555 326 A N 1.481 124.311 122.820 0.017 0.000 1.969 326 A HA -0.006 4.388 4.320 0.123 0.000 0.218 326 A C 2.387 180.016 177.584 0.076 0.000 1.169 326 A CA 0.856 52.912 52.037 0.032 0.000 0.635 326 A CB -0.591 18.415 19.000 0.009 0.000 0.810 326 A HN 0.865 nan 8.150 nan 0.000 0.445 327 R N -0.558 119.973 120.500 0.050 0.000 2.148 327 R HA -0.029 4.385 4.340 0.123 0.000 0.227 327 R C 2.219 178.735 176.300 0.360 0.000 1.103 327 R CA 1.024 57.202 56.100 0.130 0.000 0.983 327 R CB -0.348 29.855 30.300 -0.162 0.000 0.874 327 R HN 0.503 nan 8.270 nan 0.000 0.451 328 A N 1.114 124.075 122.820 0.236 0.000 2.119 328 A HA -0.086 4.308 4.320 0.123 0.000 0.217 328 A C 1.593 179.303 177.584 0.210 0.000 1.153 328 A CA 0.933 53.128 52.037 0.263 0.000 0.692 328 A CB -0.013 19.152 19.000 0.275 0.000 0.799 328 A HN 0.159 nan 8.150 nan 0.000 0.458 329 K N -0.345 120.153 120.400 0.163 0.000 2.444 329 K HA 0.177 4.571 4.320 0.123 0.000 0.193 329 K C -0.502 176.145 176.600 0.079 0.000 1.024 329 K CA -0.048 56.298 56.287 0.099 0.000 1.077 329 K CB 0.435 32.969 32.500 0.056 0.000 0.833 329 K HN 0.249 nan 8.250 nan 0.000 0.517 330 V N 3.352 123.357 119.914 0.152 0.000 2.385 330 V HA 0.140 4.334 4.120 0.123 0.000 0.269 330 V C -0.331 175.782 176.094 0.032 0.000 1.043 330 V CA -0.484 61.878 62.300 0.104 0.000 0.906 330 V CB 0.856 32.818 31.823 0.232 0.000 0.995 330 V HN 0.083 nan 8.190 nan 0.000 0.467 331 L N 6.242 127.466 121.223 0.001 0.000 2.334 331 L HA 0.649 5.063 4.340 0.123 0.000 0.273 331 L C -0.221 176.772 176.870 0.204 0.000 1.013 331 L CA -0.538 54.360 54.840 0.097 0.000 0.816 331 L CB 1.727 43.884 42.059 0.164 0.000 1.278 331 L HN 0.436 nan 8.230 nan 0.000 0.431 332 L N 2.640 124.000 121.223 0.228 0.000 2.365 332 L HA 0.540 4.954 4.340 0.123 0.000 0.273 332 L C -1.262 175.816 176.870 0.347 0.000 1.000 332 L CA -0.493 54.485 54.840 0.230 0.000 0.819 332 L CB 2.400 44.442 42.059 -0.028 0.000 1.284 332 L HN 0.402 nan 8.230 nan 0.000 0.418 333 F N 2.367 122.404 119.950 0.145 0.000 2.561 333 F HA 0.585 5.182 4.527 0.117 0.000 0.313 333 F C -0.431 175.371 175.800 0.003 0.000 1.126 333 F CA -0.394 57.603 58.000 -0.005 0.000 0.918 333 F CB 2.049 40.870 39.000 -0.299 0.000 1.199 333 F HN 0.427 nan 8.300 nan 0.000 0.444 334 S N 5.726 121.093 115.700 -0.555 0.000 2.526 334 S HA 0.870 5.414 4.470 0.123 0.000 0.293 334 S C -1.180 173.058 174.600 -0.602 0.000 1.092 334 S CA -0.595 57.415 58.200 -0.317 0.000 0.980 334 S CB 2.291 65.418 63.200 -0.121 0.000 1.048 334 S HN 1.010 nan 8.310 nan 0.000 0.483 335 N N 0.139 118.678 118.700 -0.268 0.000 3.373 335 N HA 0.354 5.168 4.740 0.123 0.000 0.275 335 N C -1.961 173.498 175.510 -0.085 0.000 1.489 335 N CA -0.595 52.317 53.050 -0.230 0.000 0.872 335 N CB 0.943 39.253 38.487 -0.296 0.000 1.555 335 N HN 0.988 nan 8.380 nan 0.000 0.500 336 A N -0.028 122.748 122.820 -0.073 0.000 2.260 336 A HA 0.722 5.116 4.320 0.123 0.000 0.312 336 A C 1.143 178.685 177.584 -0.070 0.000 1.321 336 A CA 0.014 51.999 52.037 -0.086 0.000 0.928 336 A CB -0.034 18.933 19.000 -0.056 0.000 1.158 336 A HN 1.016 nan 8.150 nan 0.000 0.542 337 A N 2.383 125.152 122.820 -0.084 0.000 2.125 337 A HA 0.076 4.470 4.320 0.123 0.000 0.219 337 A C 1.570 179.109 177.584 -0.075 0.000 1.156 337 A CA 1.426 53.426 52.037 -0.062 0.000 0.671 337 A CB -0.313 18.649 19.000 -0.063 0.000 0.794 337 A HN 0.874 nan 8.150 nan 0.000 0.459 338 S N -0.608 115.043 115.700 -0.082 0.000 2.548 338 S HA 0.212 4.756 4.470 0.123 0.000 0.277 338 S C 0.881 175.425 174.600 -0.093 0.000 1.315 338 S CA -0.362 57.789 58.200 -0.083 0.000 1.050 338 S CB 0.631 63.787 63.200 -0.073 0.000 0.918 338 S HN 0.560 nan 8.310 nan 0.000 0.497 339 Q N 2.039 121.770 119.800 -0.114 0.000 2.402 339 Q HA 0.023 4.437 4.340 0.123 0.000 0.206 339 Q C 1.619 177.559 176.000 -0.100 0.000 0.919 339 Q CA 0.994 56.713 55.803 -0.140 0.000 0.923 339 Q CB 0.200 28.816 28.738 -0.204 0.000 1.048 339 Q HN 0.927 nan 8.270 nan 0.000 0.515 340 T N -3.138 111.369 114.554 -0.078 0.000 3.010 340 T HA 0.156 4.580 4.350 0.123 0.000 0.257 340 T C 0.596 175.268 174.700 -0.047 0.000 1.020 340 T CA 0.174 62.238 62.100 -0.059 0.000 0.938 340 T CB 0.502 69.337 68.868 -0.055 0.000 1.049 340 T HN 0.119 nan 8.240 nan 0.000 0.522 341 S N 0.125 115.796 115.700 -0.048 0.000 2.579 341 S HA 0.586 5.130 4.470 0.123 0.000 0.272 341 S C -0.982 173.598 174.600 -0.032 0.000 1.141 341 S CA -1.199 56.979 58.200 -0.036 0.000 0.843 341 S CB 1.668 64.846 63.200 -0.037 0.000 1.122 341 S HN 0.217 nan 8.310 nan 0.000 0.468 342 R N 1.800 122.291 120.500 -0.015 0.000 3.657 342 R HA 0.470 4.884 4.340 0.123 0.000 0.220 342 R C -0.182 176.111 176.300 -0.012 0.000 1.548 342 R CA -0.000 56.100 56.100 0.000 0.000 1.465 342 R CB -0.003 30.317 30.300 0.034 0.000 1.330 342 R HN 0.845 nan 8.270 nan 0.000 0.707 343 S N -0.674 114.999 115.700 -0.044 0.000 2.688 343 S HA 0.212 4.756 4.470 0.123 0.000 0.275 343 S C -0.603 173.927 174.600 -0.117 0.000 1.175 343 S CA -0.953 57.205 58.200 -0.070 0.000 0.818 343 S CB 1.774 64.939 63.200 -0.057 0.000 1.157 343 S HN 0.352 nan 8.310 nan 0.000 0.482 344 Q N -0.175 119.530 119.800 -0.159 0.000 2.454 344 Q HA -0.118 4.296 4.340 0.123 0.000 0.307 344 Q C 0.264 176.081 176.000 -0.305 0.000 1.430 344 Q CA 0.756 56.438 55.803 -0.202 0.000 0.786 344 Q CB -1.868 26.789 28.738 -0.135 0.000 1.115 344 Q HN 1.194 nan 8.270 nan 0.000 0.389 345 G N 1.730 110.209 108.800 -0.535 0.000 2.334 345 G HA2 0.315 4.349 3.960 0.123 0.000 0.261 345 G HA3 0.315 4.349 3.960 0.123 0.000 0.261 345 G C 0.376 174.704 174.900 -0.954 0.000 1.257 345 G CA 0.832 45.368 45.100 -0.940 0.000 0.935 345 G HN 0.319 nan 8.290 nan 0.000 0.480 346 T N 0.602 114.962 114.554 -0.322 0.000 2.886 346 T HA 0.592 5.016 4.350 0.123 0.000 0.292 346 T C -0.362 174.467 174.700 0.215 0.000 1.012 346 T CA -1.027 61.059 62.100 -0.023 0.000 0.982 346 T CB 1.536 70.374 68.868 -0.050 0.000 1.018 346 T HN 0.259 nan 8.240 nan 0.000 0.451 347 I N 3.243 123.972 120.570 0.264 0.000 2.336 347 I HA 0.466 4.710 4.170 0.123 0.000 0.292 347 I C 0.665 176.874 176.117 0.153 0.000 0.991 347 I CA -0.649 60.765 61.300 0.190 0.000 1.227 347 I CB 1.330 39.386 38.000 0.092 0.000 1.366 347 I HN 0.660 nan 8.210 nan 0.000 0.466 348 R N 5.532 126.161 120.500 0.215 0.000 2.732 348 R HA 0.708 5.122 4.340 0.123 0.000 0.278 348 R C -0.686 175.874 176.300 0.434 0.000 0.976 348 R CA -0.865 55.409 56.100 0.290 0.000 0.963 348 R CB 2.909 33.369 30.300 0.266 0.000 1.150 348 R HN 0.572 nan 8.270 nan 0.000 0.478 349 M N 1.032 120.890 119.600 0.431 0.000 2.395 349 M HA 0.338 4.892 4.480 0.123 0.000 0.307 349 M C -1.187 175.216 176.300 0.172 0.000 1.091 349 M CA -0.299 55.197 55.300 0.327 0.000 0.919 349 M CB 2.220 34.921 32.600 0.168 0.000 1.662 349 M HN 0.529 nan 8.290 nan 0.000 0.440 350 S N 2.319 117.917 115.700 -0.171 0.000 2.532 350 S HA 0.639 5.183 4.470 0.123 0.000 0.301 350 S C -0.341 174.101 174.600 -0.264 0.000 1.083 350 S CA -0.748 57.096 58.200 -0.593 0.000 1.025 350 S CB 1.301 63.598 63.200 -1.504 0.000 1.056 350 S HN 0.938 nan 8.310 nan 0.000 0.494 351 c N 2.061 120.536 118.600 -0.208 0.000 3.386 351 c HA 0.412 5.056 4.570 0.123 0.000 0.279 351 c C 0.014 174.059 174.090 -0.075 0.000 1.508 351 c CA -0.603 55.681 56.329 -0.075 0.000 1.801 351 c CB -1.394 41.107 42.510 -0.016 0.000 2.798 351 c HN 0.892 nan 8.230 nan 0.000 0.605 352 D N -1.234 119.079 120.400 -0.144 0.000 2.908 352 D HA 0.166 4.880 4.640 0.123 0.000 0.361 352 D C -0.176 176.056 176.300 -0.113 0.000 1.416 352 D CA -0.227 53.712 54.000 -0.102 0.000 0.796 352 D CB -0.621 40.122 40.800 -0.095 0.000 1.185 352 D HN -0.013 nan 8.370 nan 0.000 0.451 353 D N 0.170 120.506 120.400 -0.107 0.000 2.981 353 D HA -0.106 4.608 4.640 0.123 0.000 0.223 353 D C 1.258 177.489 176.300 -0.115 0.000 1.151 353 D CA 1.653 55.613 54.000 -0.066 0.000 0.827 353 D CB -1.398 39.399 40.800 -0.004 0.000 1.101 353 D HN 0.792 nan 8.370 nan 0.000 0.426 354 G N -0.494 108.111 108.800 -0.325 0.000 2.132 354 G HA2 -0.383 3.651 3.960 0.123 0.000 0.234 354 G HA3 -0.383 3.651 3.960 0.123 0.000 0.234 354 G C 0.882 175.629 174.900 -0.254 0.000 0.989 354 G CA 0.722 45.584 45.100 -0.397 0.000 0.676 354 G HN 0.487 nan 8.290 nan 0.000 0.522 355 Q N -0.368 119.279 119.800 -0.254 0.000 2.163 355 Q HA 0.145 4.559 4.340 0.123 0.000 0.198 355 Q C 1.453 177.358 176.000 -0.158 0.000 0.954 355 Q CA 1.462 57.188 55.803 -0.128 0.000 0.851 355 Q CB 0.273 28.958 28.738 -0.088 0.000 0.928 355 Q HN 0.780 nan 8.270 nan 0.000 0.459 356 T N -3.359 111.004 114.554 -0.317 0.000 2.907 356 T HA 0.490 4.914 4.350 0.123 0.000 0.292 356 T C -1.358 173.052 174.700 -0.483 0.000 1.043 356 T CA -0.794 61.167 62.100 -0.233 0.000 1.003 356 T CB 1.066 69.868 68.868 -0.110 0.000 1.084 356 T HN 0.215 nan 8.240 nan 0.000 0.483 357 W N 2.525 123.822 121.300 -0.006 0.000 1.890 357 W HA 0.347 5.072 4.660 0.108 0.000 0.293 357 W C -1.859 174.673 176.519 0.022 0.000 0.895 357 W CA -1.792 55.556 57.345 0.005 0.000 1.968 357 W CB 1.362 30.809 29.460 -0.020 0.000 2.198 357 W HN 0.623 nan 8.180 nan 0.000 0.401 358 P HA -0.052 nan 4.420 nan 0.000 0.220 358 P C 0.476 177.869 177.300 0.156 0.000 1.152 358 P CA 1.119 64.309 63.100 0.151 0.000 0.812 358 P CB 0.834 32.616 31.700 0.137 0.000 0.792 359 V N 1.127 121.134 119.914 0.155 0.000 2.686 359 V HA 0.442 4.636 4.120 0.123 0.000 0.295 359 V C 0.483 176.657 176.094 0.133 0.000 1.057 359 V CA -0.043 62.331 62.300 0.123 0.000 1.012 359 V CB 1.074 32.959 31.823 0.103 0.000 1.006 359 V HN 0.355 nan 8.190 nan 0.000 0.477 360 S N 2.721 118.458 115.700 0.061 0.000 2.565 360 S HA 0.799 5.343 4.470 0.123 0.000 0.274 360 S C -1.181 173.384 174.600 -0.057 0.000 1.144 360 S CA -1.120 57.103 58.200 0.039 0.000 0.849 360 S CB 2.047 65.282 63.200 0.058 0.000 1.103 360 S HN 0.892 nan 8.310 nan 0.000 0.455 361 K N 0.580 120.932 120.400 -0.080 0.000 2.578 361 K HA 0.618 5.012 4.320 0.123 0.000 0.269 361 K C -2.104 174.451 176.600 -0.076 0.000 0.941 361 K CA -0.652 55.522 56.287 -0.189 0.000 0.847 361 K CB 1.965 34.160 32.500 -0.507 0.000 1.397 361 K HN 0.653 nan 8.250 nan 0.000 0.422 362 V N 5.995 125.850 119.914 -0.100 0.000 2.432 362 V HA 0.312 4.506 4.120 0.123 0.000 0.275 362 V C 0.483 176.580 176.094 0.005 0.000 1.043 362 V CA -0.189 62.048 62.300 -0.105 0.000 0.925 362 V CB 0.656 32.390 31.823 -0.148 0.000 0.985 362 V HN 0.803 nan 8.190 nan 0.000 0.466 363 F N 1.991 121.916 119.950 -0.042 0.000 2.678 363 F HA 0.479 5.072 4.527 0.111 0.000 0.291 363 F C 0.709 176.402 175.800 -0.178 0.000 1.123 363 F CA -0.188 57.723 58.000 -0.148 0.000 1.395 363 F CB 0.326 39.248 39.000 -0.130 0.000 1.121 363 F HN 0.469 nan 8.300 nan 0.000 0.592 364 Q N 2.315 121.751 119.800 -0.607 0.000 2.650 364 Q HA 0.345 4.759 4.340 0.123 0.000 0.239 364 Q C -2.366 173.435 176.000 -0.332 0.000 0.893 364 Q CA -2.288 53.293 55.803 -0.370 0.000 0.755 364 Q CB 1.782 30.289 28.738 -0.385 0.000 1.349 364 Q HN -0.030 nan 8.270 nan 0.000 0.461 365 P HA -0.009 nan 4.420 nan 0.000 0.219 365 P C 0.606 177.843 177.300 -0.106 0.000 1.150 365 P CA 0.866 63.881 63.100 -0.140 0.000 0.814 365 P CB 0.426 32.071 31.700 -0.090 0.000 0.787 366 G N 0.271 109.028 108.800 -0.071 0.000 2.514 366 G HA2 0.079 4.113 3.960 0.123 0.000 0.245 366 G HA3 0.079 4.113 3.960 0.123 0.000 0.245 366 G C -0.374 174.505 174.900 -0.034 0.000 1.488 366 G CA -0.274 44.804 45.100 -0.037 0.000 1.063 366 G HN 0.091 nan 8.290 nan 0.000 0.557 367 S N 0.419 116.121 115.700 0.002 0.000 2.515 367 S HA 0.391 4.935 4.470 0.123 0.000 0.285 367 S C -0.089 174.549 174.600 0.063 0.000 1.265 367 S CA 0.216 58.428 58.200 0.019 0.000 1.079 367 S CB -0.081 63.133 63.200 0.024 0.000 0.877 367 S HN 0.358 nan 8.310 nan 0.000 0.493 368 M N 4.157 123.786 119.600 0.047 0.000 2.206 368 M HA 0.310 4.864 4.480 0.123 0.000 0.272 368 M C -0.301 176.066 176.300 0.113 0.000 1.012 368 M CA -0.214 55.150 55.300 0.106 0.000 0.986 368 M CB 1.482 34.050 32.600 -0.053 0.000 1.740 368 M HN 0.658 nan 8.290 nan 0.000 0.472 369 S N 3.436 119.250 115.700 0.191 0.000 2.967 369 S HA 0.408 4.952 4.470 0.123 0.000 0.167 369 S C -0.530 174.276 174.600 0.343 0.000 0.696 369 S CA 0.032 58.371 58.200 0.232 0.000 0.874 369 S CB 0.006 63.328 63.200 0.202 0.000 0.718 369 S HN 0.618 nan 8.310 nan 0.000 0.634 370 Y N 3.144 123.493 120.300 0.081 0.000 2.319 370 Y HA 0.536 5.159 4.550 0.123 0.000 0.328 370 Y C 0.774 176.752 175.900 0.128 0.000 1.133 370 Y CA -1.341 56.803 58.100 0.074 0.000 1.265 370 Y CB 0.414 38.907 38.460 0.055 0.000 1.218 370 Y HN 0.383 nan 8.280 nan 0.000 0.508 371 S N 0.985 116.790 115.700 0.175 0.000 2.541 371 S HA 0.728 5.272 4.470 0.123 0.000 0.280 371 S C -0.749 173.884 174.600 0.056 0.000 1.112 371 S CA -0.794 57.502 58.200 0.160 0.000 0.925 371 S CB 2.254 65.536 63.200 0.137 0.000 1.067 371 S HN 0.571 nan 8.310 nan 0.000 0.479 372 T N 2.662 117.264 114.554 0.079 0.000 2.916 372 T HA 0.624 5.048 4.350 0.123 0.000 0.298 372 T C -1.147 173.589 174.700 0.059 0.000 1.031 372 T CA -0.626 61.509 62.100 0.058 0.000 0.993 372 T CB 0.651 69.582 68.868 0.105 0.000 1.045 372 T HN 0.689 nan 8.240 nan 0.000 0.454 373 L N 2.548 123.797 121.223 0.044 0.000 2.334 373 L HA 0.825 5.239 4.340 0.123 0.000 0.270 373 L C 0.132 177.054 176.870 0.086 0.000 1.018 373 L CA -0.840 54.032 54.840 0.054 0.000 0.811 373 L CB 2.346 44.428 42.059 0.038 0.000 1.271 373 L HN 0.585 nan 8.230 nan 0.000 0.443 374 T N 0.652 115.261 114.554 0.093 0.000 2.982 374 T HA 0.545 4.969 4.350 0.123 0.000 0.321 374 T C -1.110 173.649 174.700 0.099 0.000 1.229 374 T CA -0.451 61.709 62.100 0.099 0.000 1.044 374 T CB 1.614 70.538 68.868 0.093 0.000 1.184 374 T HN 0.649 nan 8.240 nan 0.000 0.477 375 A N 4.679 127.556 122.820 0.095 0.000 2.354 375 A HA 0.670 5.064 4.320 0.123 0.000 0.281 375 A C 0.047 177.580 177.584 -0.084 0.000 1.174 375 A CA -0.315 51.732 52.037 0.018 0.000 0.828 375 A CB -0.115 18.924 19.000 0.065 0.000 1.099 375 A HN 0.779 nan 8.150 nan 0.000 0.516 376 L N 4.601 125.700 121.223 -0.206 0.000 2.375 376 L HA 0.299 4.713 4.340 0.123 0.000 0.271 376 L C -0.975 175.812 176.870 -0.137 0.000 1.107 376 L CA -1.714 53.036 54.840 -0.150 0.000 0.806 376 L CB 1.236 43.200 42.059 -0.157 0.000 1.146 376 L HN 0.586 nan 8.230 nan 0.000 0.447 377 P HA -0.159 nan 4.420 nan 0.000 0.225 377 P C 0.471 177.732 177.300 -0.065 0.000 1.148 377 P CA 1.005 64.067 63.100 -0.064 0.000 0.779 377 P CB 0.079 31.746 31.700 -0.055 0.000 0.780 378 D N -1.395 118.953 120.400 -0.087 0.000 2.339 378 D HA 0.091 4.805 4.640 0.123 0.000 0.217 378 D C 1.486 177.735 176.300 -0.085 0.000 1.050 378 D CA 0.653 54.609 54.000 -0.073 0.000 0.856 378 D CB -0.463 40.295 40.800 -0.069 0.000 0.922 378 D HN 0.260 nan 8.370 nan 0.000 0.518 379 G N -0.218 108.498 108.800 -0.140 0.000 2.238 379 G HA2 -0.256 3.778 3.960 0.123 0.000 0.217 379 G HA3 -0.256 3.778 3.960 0.123 0.000 0.217 379 G C 0.650 175.327 174.900 -0.372 0.000 0.996 379 G CA 0.377 45.380 45.100 -0.161 0.000 0.632 379 G HN 0.758 nan 8.290 nan 0.000 0.503 380 T N -1.589 112.730 114.554 -0.393 0.000 2.865 380 T HA 0.685 5.109 4.350 0.123 0.000 0.302 380 T C -0.089 174.021 174.700 -0.984 0.000 1.078 380 T CA -0.239 61.548 62.100 -0.521 0.000 0.942 380 T CB 1.423 70.140 68.868 -0.252 0.000 1.387 380 T HN 0.519 nan 8.240 nan 0.000 0.557 381 Y N -1.417 118.620 120.300 -0.438 0.000 2.477 381 Y HA 0.624 5.234 4.550 0.099 0.000 0.347 381 Y C 0.570 176.148 175.900 -0.536 0.000 0.981 381 Y CA -1.077 56.708 58.100 -0.527 0.000 1.033 381 Y CB 2.271 40.239 38.460 -0.821 0.000 1.245 381 Y HN 1.076 nan 8.280 nan 0.000 0.455 382 G N 2.953 111.672 108.800 -0.135 0.000 2.372 382 G HA2 0.590 4.624 3.960 0.123 0.000 0.323 382 G HA3 0.590 4.624 3.960 0.123 0.000 0.323 382 G C -1.726 173.171 174.900 -0.005 0.000 1.152 382 G CA -0.614 44.490 45.100 0.006 0.000 0.906 382 G HN 0.587 nan 8.290 nan 0.000 0.460 383 L N 3.452 124.617 121.223 -0.095 0.000 2.356 383 L HA 0.601 5.015 4.340 0.123 0.000 0.277 383 L C -1.247 175.675 176.870 0.087 0.000 0.996 383 L CA -0.925 53.894 54.840 -0.035 0.000 0.822 383 L CB 1.834 43.802 42.059 -0.152 0.000 1.256 383 L HN 0.296 nan 8.230 nan 0.000 0.413 384 L N 6.189 127.528 121.223 0.193 0.000 2.349 384 L HA 0.532 4.946 4.340 0.123 0.000 0.278 384 L C -1.407 175.618 176.870 0.258 0.000 0.996 384 L CA -0.417 54.558 54.840 0.225 0.000 0.825 384 L CB 1.737 43.920 42.059 0.206 0.000 1.243 384 L HN 0.710 nan 8.230 nan 0.000 0.412 385 Y N 1.854 122.179 120.300 0.041 0.000 2.715 385 Y HA 0.540 5.168 4.550 0.130 0.000 0.331 385 Y C -1.105 174.829 175.900 0.058 0.000 1.197 385 Y CA -1.380 56.771 58.100 0.085 0.000 1.079 385 Y CB 1.091 39.647 38.460 0.160 0.000 1.298 385 Y HN 0.468 nan 8.280 nan 0.000 0.477 386 E N 2.877 123.199 120.200 0.204 0.000 2.070 386 E HA 0.258 4.681 4.350 0.123 0.000 0.261 386 E C -2.229 174.432 176.600 0.101 0.000 0.926 386 E CA -2.085 54.339 56.400 0.041 0.000 0.760 386 E CB 1.320 31.056 29.700 0.060 0.000 1.133 386 E HN 0.463 nan 8.360 nan 0.000 0.420 387 P HA 0.033 nan 4.420 nan 0.000 0.253 387 P C 0.842 178.156 177.300 0.022 0.000 1.260 387 P CA 0.579 63.703 63.100 0.040 0.000 0.800 387 P CB 0.641 32.273 31.700 -0.113 0.000 1.162 388 G N 0.275 109.071 108.800 -0.006 0.000 2.258 388 G HA2 -0.294 3.740 3.960 0.123 0.000 0.233 388 G HA3 -0.294 3.740 3.960 0.123 0.000 0.233 388 G C 1.033 175.918 174.900 -0.025 0.000 1.006 388 G CA 0.667 45.762 45.100 -0.009 0.000 0.620 388 G HN 0.460 nan 8.290 nan 0.000 0.511 389 T N -1.611 112.917 114.554 -0.043 0.000 3.081 389 T HA 0.560 4.984 4.350 0.123 0.000 0.250 389 T C 1.709 176.380 174.700 -0.049 0.000 1.100 389 T CA 1.677 63.752 62.100 -0.041 0.000 1.038 389 T CB 0.878 69.716 68.868 -0.050 0.000 0.962 389 T HN 2.233 nan 8.240 nan 0.000 0.516 390 G N 1.981 110.730 108.800 -0.085 0.000 2.272 390 G HA2 0.263 4.297 3.960 0.123 0.000 0.068 390 G HA3 0.263 4.297 3.960 0.123 0.000 0.068 390 G C -1.528 173.237 174.900 -0.226 0.000 1.073 390 G CA -0.402 44.633 45.100 -0.108 0.000 1.154 390 G HN 1.024 nan 8.290 nan 0.000 0.429 391 I N -0.870 119.471 120.570 -0.382 0.000 2.498 391 I HA 0.922 5.166 4.170 0.123 0.000 0.290 391 I C -0.556 175.304 176.117 -0.428 0.000 1.032 391 I CA -0.999 60.053 61.300 -0.414 0.000 1.073 391 I CB 2.276 39.984 38.000 -0.487 0.000 1.251 391 I HN 0.735 nan 8.210 nan 0.000 0.426 392 R N 4.271 124.494 120.500 -0.463 0.000 2.778 392 R HA 0.506 4.920 4.340 0.123 0.000 0.277 392 R C -1.994 174.152 176.300 -0.257 0.000 0.977 392 R CA -0.763 55.084 56.100 -0.421 0.000 0.950 392 R CB 1.697 31.634 30.300 -0.606 0.000 1.165 392 R HN 0.758 nan 8.270 nan 0.000 0.474 393 Y N 1.713 121.870 120.300 -0.238 0.000 2.352 393 Y HA 0.670 5.300 4.550 0.132 0.000 0.339 393 Y C -1.400 174.482 175.900 -0.030 0.000 0.992 393 Y CA -0.692 57.337 58.100 -0.119 0.000 1.100 393 Y CB 1.843 40.199 38.460 -0.173 0.000 1.192 393 Y HN 0.744 nan 8.280 nan 0.000 0.458 394 A N 4.925 127.196 122.820 -0.916 0.000 2.454 394 A HA 0.679 5.073 4.320 0.123 0.000 0.302 394 A C -1.681 175.281 177.584 -1.036 0.000 1.079 394 A CA -0.846 50.685 52.037 -0.844 0.000 0.731 394 A CB 1.496 20.211 19.000 -0.476 0.000 1.299 394 A HN 0.720 nan 8.150 nan 0.000 0.413 395 N N 0.079 118.268 118.700 -0.850 0.000 2.310 395 N HA 0.763 5.577 4.740 0.123 0.000 0.292 395 N C -1.269 173.947 175.510 -0.488 0.000 1.049 395 N CA -0.476 52.232 53.050 -0.570 0.000 0.849 395 N CB 1.287 39.580 38.487 -0.323 0.000 1.532 395 N HN 0.639 nan 8.380 nan 0.000 0.479 396 F N 0.612 120.350 119.950 -0.353 0.000 2.664 396 F HA 0.636 5.231 4.527 0.113 0.000 0.317 396 F C -0.679 175.159 175.800 0.063 0.000 1.108 396 F CA -1.106 56.746 58.000 -0.247 0.000 0.957 396 F CB 0.869 39.636 39.000 -0.388 0.000 1.365 396 F HN 0.529 nan 8.300 nan 0.000 0.475 397 N N 0.398 119.415 118.700 0.528 0.000 2.545 397 N HA 0.489 5.303 4.740 0.123 0.000 0.289 397 N C -0.217 175.700 175.510 0.680 0.000 1.279 397 N CA -1.103 52.228 53.050 0.469 0.000 0.824 397 N CB 2.460 41.102 38.487 0.258 0.000 1.395 397 N HN 0.729 nan 8.380 nan 0.000 0.526 398 L N -0.145 121.408 121.223 0.550 0.000 2.201 398 L HA -0.084 4.330 4.340 0.123 0.000 0.212 398 L C 2.627 179.704 176.870 0.345 0.000 1.105 398 L CA 1.290 56.410 54.840 0.466 0.000 0.775 398 L CB -0.571 41.728 42.059 0.401 0.000 0.913 398 L HN 0.809 nan 8.230 nan 0.000 0.440 399 A N -0.395 122.615 122.820 0.317 0.000 1.972 399 A HA -0.264 4.130 4.320 0.123 0.000 0.219 399 A C 2.004 179.733 177.584 0.241 0.000 1.169 399 A CA 1.400 53.578 52.037 0.235 0.000 0.635 399 A CB -0.931 18.196 19.000 0.212 0.000 0.810 399 A HN 0.698 nan 8.150 nan 0.000 0.446 400 W N -0.307 121.094 121.300 0.168 0.000 2.800 400 W HA 0.128 4.858 4.660 0.117 0.000 0.249 400 W C 1.334 177.896 176.519 0.072 0.000 1.294 400 W CA 0.696 58.123 57.345 0.137 0.000 1.402 400 W CB 0.007 29.592 29.460 0.209 0.000 1.126 400 W HN 0.219 nan 8.180 nan 0.000 0.652 401 L N 0.074 121.293 121.223 -0.006 0.000 2.270 401 L HA 0.185 4.599 4.340 0.123 0.000 0.210 401 L C 1.871 178.569 176.870 -0.286 0.000 1.104 401 L CA 1.366 56.037 54.840 -0.282 0.000 0.804 401 L CB -0.381 41.692 42.059 0.023 0.000 0.937 401 L HN 0.325 nan 8.230 nan 0.000 0.450 402 G N -1.227 107.483 108.800 -0.150 0.000 2.222 402 G HA2 0.116 4.150 3.960 0.123 0.000 0.218 402 G HA3 0.116 4.150 3.960 0.123 0.000 0.218 402 G C 0.211 175.099 174.900 -0.020 0.000 1.450 402 G CA -0.297 44.737 45.100 -0.109 0.000 1.361 402 G HN 0.701 nan 8.290 nan 0.000 0.474 403 G N -1.080 107.724 108.800 0.006 0.000 2.373 403 G HA2 0.516 4.550 3.960 0.123 0.000 0.250 403 G HA3 0.516 4.550 3.960 0.123 0.000 0.250 403 G C -0.014 174.915 174.900 0.048 0.000 1.304 403 G CA 0.086 45.211 45.100 0.041 0.000 0.948 403 G HN 2.115 nan 8.290 nan 0.000 0.474 404 I N -0.254 120.345 120.570 0.047 0.000 3.494 404 I HA -0.254 3.990 4.170 0.123 0.000 0.126 404 I C 0.760 176.908 176.117 0.052 0.000 0.972 404 I CA 0.148 61.473 61.300 0.042 0.000 2.750 404 I CB -0.062 37.950 38.000 0.020 0.000 1.121 404 I HN 0.720 nan 8.210 nan 0.000 0.344 405 c N 7.776 126.407 118.600 0.052 0.000 3.183 405 c HA 0.417 5.061 4.570 0.123 0.000 0.545 405 c C 1.209 175.325 174.090 0.044 0.000 1.044 405 c CA 0.323 56.681 56.329 0.048 0.000 1.117 405 c CB -1.965 40.571 42.510 0.043 0.000 1.393 405 c HN 0.733 nan 8.230 nan 0.000 0.611 406 A N 3.377 126.233 122.820 0.060 0.000 3.165 406 A HA 0.458 4.852 4.320 0.123 0.000 0.331 406 A C -2.220 175.453 177.584 0.149 0.000 1.034 406 A CA -0.977 51.100 52.037 0.066 0.000 0.906 406 A CB 0.008 19.020 19.000 0.020 0.000 1.054 406 A HN 0.504 nan 8.150 nan 0.000 0.484 407 P HA 0.283 nan 4.420 nan 0.000 0.266 407 P C -0.783 176.683 177.300 0.276 0.000 1.195 407 P CA 0.541 63.748 63.100 0.179 0.000 0.768 407 P CB 0.318 32.055 31.700 0.062 0.000 0.838 408 F N -0.987 118.971 119.950 0.013 0.000 2.613 408 F HA 0.784 5.382 4.527 0.117 0.000 0.314 408 F C -0.926 174.879 175.800 0.009 0.000 1.075 408 F CA -1.282 56.721 58.000 0.004 0.000 0.945 408 F CB 1.342 40.342 39.000 -0.000 0.000 1.310 408 F HN 0.215 nan 8.300 nan 0.000 0.467 409 T N 2.570 117.140 114.554 0.027 0.000 2.893 409 T HA 0.803 5.227 4.350 0.123 0.000 0.291 409 T C -1.334 173.330 174.700 -0.060 0.000 1.028 409 T CA -0.612 61.431 62.100 -0.096 0.000 0.995 409 T CB 1.091 69.933 68.868 -0.042 0.000 1.051 409 T HN 0.642 nan 8.240 nan 0.000 0.470 410 I N 5.752 126.238 120.570 -0.139 0.000 2.534 410 I HA 0.351 4.595 4.170 0.123 0.000 0.286 410 I C -2.128 173.882 176.117 -0.179 0.000 1.094 410 I CA -2.142 59.017 61.300 -0.236 0.000 1.055 410 I CB 2.569 40.243 38.000 -0.543 0.000 1.225 410 I HN 0.481 nan 8.210 nan 0.000 0.435 411 P HA 0.046 nan 4.420 nan 0.000 0.270 411 P C -1.008 176.332 177.300 0.066 0.000 1.227 411 P CA -0.129 62.959 63.100 -0.020 0.000 0.788 411 P CB 0.750 32.437 31.700 -0.022 0.000 0.926 412 D N -0.020 120.450 120.400 0.117 0.000 2.308 412 D HA 0.258 4.972 4.640 0.123 0.000 0.251 412 D C -0.185 176.200 176.300 0.142 0.000 1.127 412 D CA 0.022 54.132 54.000 0.184 0.000 0.876 412 D CB 0.648 41.525 40.800 0.128 0.000 1.176 412 D HN 0.010 nan 8.370 nan 0.000 0.446 413 V N 0.602 120.629 119.914 0.188 0.000 2.513 413 V HA 0.780 4.974 4.120 0.123 0.000 0.299 413 V C 0.101 176.252 176.094 0.095 0.000 1.035 413 V CA -1.097 61.275 62.300 0.121 0.000 0.889 413 V CB 1.581 33.480 31.823 0.125 0.000 0.988 413 V HN 0.628 nan 8.190 nan 0.000 0.440 414 A N 5.764 128.618 122.820 0.057 0.000 2.331 414 A HA 0.990 5.384 4.320 0.123 0.000 0.320 414 A C -0.714 176.881 177.584 0.019 0.000 1.138 414 A CA -0.528 51.535 52.037 0.044 0.000 0.790 414 A CB 1.245 20.266 19.000 0.035 0.000 1.206 414 A HN 1.350 nan 8.150 nan 0.000 0.470 415 L N -1.204 120.023 121.223 0.007 0.000 2.600 415 L HA 0.923 5.337 4.340 0.123 0.000 0.257 415 L C -0.939 175.919 176.870 -0.020 0.000 1.048 415 L CA -1.042 53.787 54.840 -0.019 0.000 0.869 415 L CB 1.559 43.586 42.059 -0.054 0.000 1.482 415 L HN 0.413 nan 8.230 nan 0.000 0.408 416 E N 1.243 121.426 120.200 -0.028 0.000 2.231 416 E HA 0.504 4.928 4.350 0.123 0.000 0.277 416 E C -2.511 174.061 176.600 -0.046 0.000 0.999 416 E CA -1.727 54.659 56.400 -0.023 0.000 0.827 416 E CB 1.292 30.983 29.700 -0.015 0.000 1.101 416 E HN 0.425 nan 8.360 nan 0.000 0.393 417 P HA 0.052 nan 4.420 nan 0.000 0.262 417 P C 0.166 177.432 177.300 -0.057 0.000 1.182 417 P CA 1.059 64.129 63.100 -0.050 0.000 0.761 417 P CB 0.530 32.225 31.700 -0.008 0.000 0.795 418 G N 1.431 110.180 108.800 -0.086 0.000 2.130 418 G HA2 -0.197 3.836 3.960 0.123 0.000 0.216 418 G HA3 -0.197 3.836 3.960 0.123 0.000 0.216 418 G C -0.149 174.705 174.900 -0.077 0.000 0.999 418 G CA -0.456 44.601 45.100 -0.072 0.000 0.686 418 G HN 0.555 nan 8.290 nan 0.000 0.515 419 Q N -0.932 118.806 119.800 -0.103 0.000 2.359 419 Q HA 0.675 5.089 4.340 0.123 0.000 0.275 419 Q C -0.380 175.553 176.000 -0.111 0.000 1.082 419 Q CA -0.791 54.959 55.803 -0.089 0.000 0.849 419 Q CB 1.891 30.586 28.738 -0.072 0.000 1.377 419 Q HN 0.315 nan 8.270 nan 0.000 0.452 420 Q N 1.140 120.891 119.800 -0.082 0.000 2.333 420 Q HA 0.621 5.035 4.340 0.123 0.000 0.267 420 Q C -1.903 174.059 176.000 -0.063 0.000 1.012 420 Q CA -0.545 55.209 55.803 -0.081 0.000 0.824 420 Q CB 2.177 30.879 28.738 -0.061 0.000 1.290 420 Q HN 0.468 nan 8.270 nan 0.000 0.449 421 V N 3.135 123.010 119.914 -0.064 0.000 2.709 421 V HA 0.665 4.859 4.120 0.123 0.000 0.308 421 V C -1.338 174.736 176.094 -0.033 0.000 1.062 421 V CA -0.150 62.124 62.300 -0.043 0.000 0.901 421 V CB 2.540 34.340 31.823 -0.039 0.000 1.003 421 V HN 0.881 nan 8.190 nan 0.000 0.425 422 T N 6.120 120.656 114.554 -0.029 0.000 2.792 422 T HA 0.631 5.055 4.350 0.123 0.000 0.280 422 T C -0.573 174.105 174.700 -0.037 0.000 0.990 422 T CA -0.313 61.769 62.100 -0.030 0.000 0.960 422 T CB 1.268 70.121 68.868 -0.026 0.000 0.939 422 T HN 1.124 nan 8.240 nan 0.000 0.439 423 V N 2.016 121.897 119.914 -0.056 0.000 2.604 423 V HA 0.822 5.016 4.120 0.123 0.000 0.305 423 V C -2.788 173.254 176.094 -0.087 0.000 1.043 423 V CA -3.045 59.208 62.300 -0.078 0.000 0.888 423 V CB 1.814 33.562 31.823 -0.124 0.000 0.995 423 V HN 0.571 nan 8.190 nan 0.000 0.429 424 P HA 0.353 nan 4.420 nan 0.000 0.278 424 P C -0.740 176.527 177.300 -0.056 0.000 1.238 424 P CA -0.165 62.904 63.100 -0.051 0.000 0.794 424 P CB 1.806 33.486 31.700 -0.033 0.000 0.955 425 V N 2.003 121.903 119.914 -0.024 0.000 2.513 425 V HA 0.643 4.837 4.120 0.123 0.000 0.299 425 V C 0.289 176.408 176.094 0.043 0.000 1.035 425 V CA -0.728 61.588 62.300 0.028 0.000 0.889 425 V CB 1.469 33.327 31.823 0.057 0.000 0.988 425 V HN 0.761 nan 8.190 nan 0.000 0.440 426 A N 4.459 127.328 122.820 0.081 0.000 2.311 426 A HA 0.836 5.230 4.320 0.123 0.000 0.306 426 A C -0.938 176.718 177.584 0.120 0.000 1.189 426 A CA -0.476 51.600 52.037 0.065 0.000 0.791 426 A CB 1.369 20.392 19.000 0.039 0.000 1.172 426 A HN 0.639 nan 8.150 nan 0.000 0.481 427 V N 1.884 121.846 119.914 0.080 0.000 2.513 427 V HA 0.638 4.832 4.120 0.123 0.000 0.299 427 V C 0.068 176.193 176.094 0.053 0.000 1.035 427 V CA -0.373 61.980 62.300 0.088 0.000 0.889 427 V CB 2.024 33.844 31.823 -0.005 0.000 0.988 427 V HN 0.864 nan 8.190 nan 0.000 0.440 428 T N 3.759 118.351 114.554 0.063 0.000 2.833 428 T HA 0.331 4.755 4.350 0.123 0.000 0.297 428 T C -0.277 174.440 174.700 0.028 0.000 1.015 428 T CA -0.405 61.717 62.100 0.035 0.000 0.963 428 T CB 0.803 69.689 68.868 0.031 0.000 0.955 428 T HN 0.644 nan 8.240 nan 0.000 0.449 429 N N 2.850 121.558 118.700 0.014 0.000 2.509 429 N HA 0.319 5.133 4.740 0.123 0.000 0.287 429 N C 0.216 175.732 175.510 0.009 0.000 1.121 429 N CA -0.515 52.541 53.050 0.009 0.000 0.977 429 N CB 1.010 39.497 38.487 -0.000 0.000 1.167 429 N HN 0.691 nan 8.380 nan 0.000 0.476 430 Q N 1.015 120.822 119.800 0.012 0.000 2.386 430 Q HA 0.548 4.962 4.340 0.123 0.000 0.172 430 Q C 0.923 176.929 176.000 0.010 0.000 1.009 430 Q CA -0.704 55.107 55.803 0.014 0.000 1.039 430 Q CB -0.221 28.532 28.738 0.024 0.000 1.544 430 Q HN 0.464 nan 8.270 nan 0.000 0.515 431 S N 0.199 115.906 115.700 0.012 0.000 2.340 431 S HA -0.157 4.387 4.470 0.123 0.000 0.437 431 S C 1.140 175.743 174.600 0.006 0.000 1.233 431 S CA 0.999 59.203 58.200 0.007 0.000 2.531 431 S CB -1.376 61.827 63.200 0.005 0.000 1.318 431 S HN 0.807 nan 8.310 nan 0.000 0.374 432 G N 1.480 110.285 108.800 0.008 0.000 2.909 432 G HA2 0.371 4.405 3.960 0.123 0.000 0.269 432 G HA3 0.371 4.405 3.960 0.123 0.000 0.269 432 G C -0.281 174.624 174.900 0.008 0.000 0.726 432 G CA -0.081 45.024 45.100 0.007 0.000 2.082 432 G HN 0.372 nan 8.290 nan 0.000 0.588 433 I N 1.615 122.188 120.570 0.005 0.000 2.750 433 I HA 0.307 4.551 4.170 0.123 0.000 0.279 433 I C 0.252 176.367 176.117 -0.003 0.000 1.206 433 I CA -1.051 60.250 61.300 0.002 0.000 1.101 433 I CB 0.869 38.871 38.000 0.003 0.000 1.431 433 I HN 0.272 nan 8.210 nan 0.000 0.551 434 A N 5.211 128.029 122.820 -0.003 0.000 2.511 434 A HA 0.654 5.048 4.320 0.123 0.000 0.340 434 A C -0.287 177.292 177.584 -0.008 0.000 1.396 434 A CA -0.378 51.656 52.037 -0.006 0.000 0.887 434 A CB 0.501 19.498 19.000 -0.004 0.000 1.145 434 A HN 0.236 nan 8.150 nan 0.000 0.497 435 V N 5.171 125.077 119.914 -0.013 0.000 2.275 435 V HA 0.262 4.456 4.120 0.123 0.000 0.272 435 V C -1.376 174.706 176.094 -0.020 0.000 1.028 435 V CA -1.028 61.262 62.300 -0.016 0.000 0.810 435 V CB 1.276 33.085 31.823 -0.022 0.000 1.043 435 V HN 0.761 nan 8.190 nan 0.000 0.453 436 P HA -0.069 nan 4.420 nan 0.000 0.223 436 P C 0.326 177.614 177.300 -0.020 0.000 1.151 436 P CA 0.873 63.963 63.100 -0.016 0.000 0.787 436 P CB 0.496 32.189 31.700 -0.012 0.000 0.788 437 K N 1.090 121.477 120.400 -0.021 0.000 2.679 437 K HA 0.336 4.730 4.320 0.123 0.000 0.188 437 K C -2.440 174.141 176.600 -0.032 0.000 1.055 437 K CA -1.476 54.797 56.287 -0.024 0.000 1.006 437 K CB 1.294 33.784 32.500 -0.017 0.000 1.317 437 K HN 0.193 nan 8.250 nan 0.000 0.584 438 P HA 0.289 nan 4.420 nan 0.000 0.287 438 P C -0.624 176.637 177.300 -0.064 0.000 1.270 438 P CA -0.501 62.562 63.100 -0.062 0.000 0.844 438 P CB 1.804 33.453 31.700 -0.086 0.000 1.068 439 S N 0.872 116.532 115.700 -0.067 0.000 2.689 439 S HA 0.616 5.160 4.470 0.123 0.000 0.306 439 S C -0.453 174.104 174.600 -0.071 0.000 1.104 439 S CA -0.802 57.367 58.200 -0.053 0.000 0.973 439 S CB 1.220 64.401 63.200 -0.031 0.000 1.121 439 S HN 0.422 nan 8.310 nan 0.000 0.523 440 L N 2.187 123.386 121.223 -0.041 0.000 2.471 440 L HA 0.396 4.810 4.340 0.123 0.000 0.263 440 L C -0.875 176.014 176.870 0.032 0.000 0.985 440 L CA -0.208 54.618 54.840 -0.022 0.000 0.868 440 L CB 1.507 43.551 42.059 -0.024 0.000 1.203 440 L HN 0.740 nan 8.230 nan 0.000 0.429 441 Q N 4.552 124.382 119.800 0.051 0.000 2.390 441 Q HA 0.376 4.790 4.340 0.123 0.000 0.249 441 Q C -1.260 174.808 176.000 0.113 0.000 0.996 441 Q CA -0.723 55.121 55.803 0.068 0.000 0.899 441 Q CB 1.003 29.770 28.738 0.048 0.000 1.216 441 Q HN 0.446 nan 8.270 nan 0.000 0.465 442 L N 2.711 124.011 121.223 0.129 0.000 2.421 442 L HA 0.428 4.842 4.340 0.123 0.000 0.263 442 L C -0.049 176.894 176.870 0.121 0.000 1.122 442 L CA 0.137 55.082 54.840 0.174 0.000 0.804 442 L CB 1.094 43.285 42.059 0.220 0.000 1.150 442 L HN 0.734 nan 8.230 nan 0.000 0.457 443 D N 1.031 121.494 120.400 0.106 0.000 2.469 443 D HA 0.684 5.398 4.640 0.123 0.000 0.251 443 D C -0.791 175.518 176.300 0.015 0.000 1.173 443 D CA 0.009 54.038 54.000 0.048 0.000 0.882 443 D CB 1.680 42.497 40.800 0.028 0.000 1.129 443 D HN 0.686 nan 8.370 nan 0.000 0.549 444 A N 1.813 124.639 122.820 0.010 0.000 2.566 444 A HA 0.726 5.120 4.320 0.123 0.000 0.291 444 A C -0.546 176.940 177.584 -0.164 0.000 1.278 444 A CA -0.600 51.405 52.037 -0.055 0.000 0.711 444 A CB 0.624 19.713 19.000 0.148 0.000 1.332 444 A HN 0.321 nan 8.150 nan 0.000 0.478 445 S N 2.242 117.682 115.700 -0.434 0.000 2.549 445 S HA 0.288 4.832 4.470 0.123 0.000 0.283 445 S C -1.559 172.928 174.600 -0.188 0.000 1.320 445 S CA -0.391 57.517 58.200 -0.487 0.000 1.058 445 S CB 0.503 63.041 63.200 -1.104 0.000 0.882 445 S HN 0.564 nan 8.310 nan 0.000 0.498 446 P HA -0.218 nan 4.420 nan 0.000 0.217 446 P C 0.304 177.633 177.300 0.048 0.000 1.158 446 P CA 1.666 64.757 63.100 -0.015 0.000 0.887 446 P CB -0.297 31.387 31.700 -0.027 0.000 0.792 447 D N -3.271 117.169 120.400 0.067 0.000 2.413 447 D HA 0.048 4.762 4.640 0.123 0.000 0.237 447 D C -0.434 176.058 176.300 0.320 0.000 1.171 447 D CA -0.365 53.721 54.000 0.144 0.000 0.839 447 D CB -0.733 40.131 40.800 0.107 0.000 0.950 447 D HN 0.108 nan 8.370 nan 0.000 0.499 448 W N 0.923 122.191 121.300 -0.054 0.000 2.532 448 W HA 0.452 5.185 4.660 0.122 0.000 0.321 448 W C -0.487 176.013 176.519 -0.031 0.000 1.037 448 W CA -1.141 56.167 57.345 -0.061 0.000 1.220 448 W CB 1.367 30.771 29.460 -0.094 0.000 1.361 448 W HN -0.178 nan 8.180 nan 0.000 0.468 449 Q N 2.340 122.192 119.800 0.085 0.000 2.360 449 Q HA 0.511 4.925 4.340 0.123 0.000 0.254 449 Q C -0.477 175.551 176.000 0.047 0.000 0.975 449 Q CA -0.394 55.442 55.803 0.055 0.000 0.912 449 Q CB 1.293 30.037 28.738 0.011 0.000 1.212 449 Q HN 0.272 nan 8.270 nan 0.000 0.452 450 V N 0.568 120.535 119.914 0.089 0.000 2.531 450 V HA 0.750 4.944 4.120 0.123 0.000 0.301 450 V C -0.678 175.468 176.094 0.086 0.000 1.034 450 V CA -0.896 61.467 62.300 0.105 0.000 0.865 450 V CB 1.806 33.737 31.823 0.180 0.000 0.995 450 V HN 0.593 nan 8.190 nan 0.000 0.424 451 Q N 2.008 121.848 119.800 0.067 0.000 2.421 451 Q HA 0.901 5.315 4.340 0.123 0.000 0.280 451 Q C -0.171 175.855 176.000 0.043 0.000 1.085 451 Q CA 0.076 55.908 55.803 0.049 0.000 0.807 451 Q CB 2.663 31.417 28.738 0.027 0.000 1.405 451 Q HN 1.317 nan 8.270 nan 0.000 0.419 452 G N -0.035 108.786 108.800 0.034 0.000 2.704 452 G HA2 0.668 4.702 3.960 0.123 0.000 0.293 452 G HA3 0.668 4.702 3.960 0.123 0.000 0.293 452 G C -1.468 173.432 174.900 0.000 0.000 1.421 452 G CA -0.406 44.705 45.100 0.019 0.000 0.870 452 G HN 0.668 nan 8.290 nan 0.000 0.492 453 S N -1.626 114.066 115.700 -0.015 0.000 2.556 453 S HA 0.819 5.363 4.470 0.123 0.000 0.271 453 S C -1.568 173.008 174.600 -0.040 0.000 1.135 453 S CA -0.792 57.392 58.200 -0.026 0.000 0.858 453 S CB 1.996 65.183 63.200 -0.020 0.000 1.114 453 S HN 1.886 nan 8.310 nan 0.000 0.468 454 V N 2.273 122.155 119.914 -0.053 0.000 2.808 454 V HA 0.590 4.784 4.120 0.123 0.000 0.308 454 V C -0.269 175.794 176.094 -0.051 0.000 1.099 454 V CA -0.634 61.628 62.300 -0.063 0.000 0.920 454 V CB 1.648 33.405 31.823 -0.111 0.000 1.014 454 V HN 1.200 nan 8.190 nan 0.000 0.425 455 E N 6.868 127.044 120.200 -0.041 0.000 2.397 455 E HA 0.397 4.821 4.350 0.123 0.000 0.254 455 E C -2.520 174.058 176.600 -0.038 0.000 1.231 455 E CA -1.614 54.767 56.400 -0.033 0.000 0.954 455 E CB 0.371 30.056 29.700 -0.025 0.000 1.024 455 E HN 0.485 nan 8.360 nan 0.000 0.481 456 P HA 0.048 nan 4.420 nan 0.000 0.269 456 P C -0.853 176.429 177.300 -0.030 0.000 1.215 456 P CA 0.127 63.209 63.100 -0.030 0.000 0.780 456 P CB 0.374 32.060 31.700 -0.022 0.000 0.898 457 L N 2.880 124.085 121.223 -0.031 0.000 2.276 457 L HA 0.407 4.821 4.340 0.123 0.000 0.286 457 L C 0.433 177.293 176.870 -0.017 0.000 1.061 457 L CA -0.093 54.731 54.840 -0.026 0.000 0.807 457 L CB 0.187 42.227 42.059 -0.032 0.000 1.177 457 L HN 0.252 nan 8.230 nan 0.000 0.429 458 M N 4.142 123.734 119.600 -0.013 0.000 2.436 458 M HA 0.423 4.977 4.480 0.123 0.000 0.331 458 M C -2.409 173.887 176.300 -0.006 0.000 1.135 458 M CA -2.022 53.272 55.300 -0.009 0.000 0.987 458 M CB 1.916 34.511 32.600 -0.009 0.000 1.687 458 M HN 0.188 nan 8.290 nan 0.000 0.445 459 P HA -0.080 nan 4.420 nan 0.000 0.257 459 P C 0.601 177.899 177.300 -0.003 0.000 1.153 459 P CA 1.213 64.311 63.100 -0.003 0.000 0.762 459 P CB 0.107 31.805 31.700 -0.003 0.000 0.743 460 G N 2.769 111.569 108.800 -0.001 0.000 2.390 460 G HA2 -0.287 3.747 3.960 0.123 0.000 0.299 460 G HA3 -0.287 3.747 3.960 0.123 0.000 0.299 460 G C 0.080 174.979 174.900 -0.001 0.000 1.002 460 G CA -0.019 45.080 45.100 -0.001 0.000 0.979 460 G HN 0.565 nan 8.290 nan 0.000 0.513 461 R N -1.125 119.374 120.500 -0.002 0.000 2.867 461 R HA 0.505 4.919 4.340 0.123 0.000 0.268 461 R C -0.320 175.979 176.300 -0.001 0.000 1.014 461 R CA -0.916 55.183 56.100 -0.002 0.000 0.946 461 R CB 1.374 31.671 30.300 -0.005 0.000 1.208 461 R HN 0.331 nan 8.270 nan 0.000 0.477 462 Q N 0.817 120.616 119.800 -0.000 0.000 2.257 462 Q HA 0.515 4.929 4.340 0.123 0.000 0.255 462 Q C -1.230 174.768 176.000 -0.002 0.000 0.920 462 Q CA -0.336 55.469 55.803 0.003 0.000 0.927 462 Q CB 1.729 30.470 28.738 0.005 0.000 1.229 462 Q HN 0.685 nan 8.270 nan 0.000 0.433 463 A N 3.974 126.792 122.820 -0.004 0.000 2.311 463 A HA 0.628 5.022 4.320 0.123 0.000 0.334 463 A C -1.044 176.534 177.584 -0.010 0.000 1.139 463 A CA -0.616 51.413 52.037 -0.014 0.000 0.830 463 A CB 1.367 20.349 19.000 -0.029 0.000 1.234 463 A HN 0.711 nan 8.150 nan 0.000 0.483 464 K N 0.154 120.544 120.400 -0.016 0.000 2.350 464 K HA 0.728 5.122 4.320 0.123 0.000 0.241 464 K C -0.230 176.356 176.600 -0.023 0.000 0.994 464 K CA 0.063 56.342 56.287 -0.013 0.000 0.839 464 K CB 2.145 34.637 32.500 -0.012 0.000 1.244 464 K HN 1.174 nan 8.250 nan 0.000 0.443 465 G N 0.657 109.444 108.800 -0.021 0.000 2.490 465 G HA2 0.410 4.444 3.960 0.123 0.000 0.308 465 G HA3 0.410 4.444 3.960 0.123 0.000 0.308 465 G C -2.141 172.743 174.900 -0.026 0.000 1.286 465 G CA -0.612 44.472 45.100 -0.027 0.000 0.825 465 G HN 0.634 nan 8.290 nan 0.000 0.479 466 Q N -1.746 118.037 119.800 -0.029 0.000 2.527 466 Q HA 0.662 5.076 4.340 0.123 0.000 0.280 466 Q C -1.664 174.315 176.000 -0.034 0.000 0.977 466 Q CA -0.909 54.872 55.803 -0.037 0.000 0.837 466 Q CB 1.789 30.508 28.738 -0.031 0.000 1.454 466 Q HN 0.897 nan 8.270 nan 0.000 0.387 467 V N 1.163 121.046 119.914 -0.052 0.000 2.487 467 V HA 0.722 4.916 4.120 0.123 0.000 0.298 467 V C -0.729 175.356 176.094 -0.015 0.000 1.028 467 V CA -0.515 61.766 62.300 -0.031 0.000 0.860 467 V CB 1.987 33.761 31.823 -0.081 0.000 0.991 467 V HN 0.889 nan 8.190 nan 0.000 0.427 468 T N 6.453 121.011 114.554 0.006 0.000 2.756 468 T HA 0.684 5.108 4.350 0.123 0.000 0.290 468 T C -0.338 174.366 174.700 0.007 0.000 0.985 468 T CA -0.037 62.061 62.100 -0.003 0.000 0.955 468 T CB 0.451 69.313 68.868 -0.010 0.000 0.930 468 T HN 0.380 nan 8.240 nan 0.000 0.451 469 I N 2.823 123.384 120.570 -0.016 0.000 2.460 469 I HA 0.489 4.733 4.170 0.123 0.000 0.298 469 I C 0.304 176.334 176.117 -0.145 0.000 0.989 469 I CA -0.493 60.769 61.300 -0.062 0.000 1.173 469 I CB 1.994 39.948 38.000 -0.076 0.000 1.338 469 I HN 0.447 nan 8.210 nan 0.000 0.456 470 T N 4.961 119.393 114.554 -0.204 0.000 2.881 470 T HA 0.538 4.962 4.350 0.123 0.000 0.291 470 T C -0.674 173.781 174.700 -0.407 0.000 0.990 470 T CA -0.642 61.324 62.100 -0.224 0.000 0.976 470 T CB 1.500 70.295 68.868 -0.122 0.000 0.970 470 T HN 0.525 nan 8.240 nan 0.000 0.438 471 V N 2.661 122.280 119.914 -0.491 0.000 2.448 471 V HA 0.771 4.965 4.120 0.123 0.000 0.295 471 V C -2.677 173.245 176.094 -0.287 0.000 1.025 471 V CA -2.839 59.052 62.300 -0.680 0.000 0.859 471 V CB 1.556 32.768 31.823 -1.019 0.000 0.988 471 V HN 0.577 nan 8.190 nan 0.000 0.431 472 P HA 0.117 nan 4.420 nan 0.000 0.269 472 P C 0.675 177.963 177.300 -0.019 0.000 1.217 472 P CA 0.460 63.540 63.100 -0.033 0.000 0.783 472 P CB 1.210 32.938 31.700 0.046 0.000 0.898 473 A N 2.235 125.049 122.820 -0.009 0.000 2.066 473 A HA 0.039 4.433 4.320 0.123 0.000 0.218 473 A C 2.000 179.594 177.584 0.017 0.000 1.157 473 A CA 1.535 53.570 52.037 -0.003 0.000 0.670 473 A CB -1.318 17.679 19.000 -0.006 0.000 0.804 473 A HN 0.661 nan 8.150 nan 0.000 0.453 474 G N -0.507 108.312 108.800 0.032 0.000 3.383 474 G HA2 0.324 4.358 3.960 0.123 0.000 0.251 474 G HA3 0.324 4.358 3.960 0.123 0.000 0.251 474 G C 0.141 175.083 174.900 0.070 0.000 1.203 474 G CA 0.129 45.254 45.100 0.043 0.000 0.852 474 G HN 0.263 nan 8.290 nan 0.000 0.531 475 T N 2.057 116.665 114.554 0.089 0.000 2.737 475 T HA 0.298 4.721 4.350 0.123 0.000 0.296 475 T C 0.585 175.374 174.700 0.149 0.000 0.922 475 T CA -0.023 62.167 62.100 0.150 0.000 1.079 475 T CB 0.927 69.915 68.868 0.200 0.000 0.892 475 T HN 0.104 nan 8.240 nan 0.000 0.514 476 T N 6.750 121.404 114.554 0.167 0.000 2.928 476 T HA 0.130 4.554 4.350 0.123 0.000 0.305 476 T C -2.059 172.764 174.700 0.205 0.000 1.035 476 T CA -0.948 61.240 62.100 0.146 0.000 1.145 476 T CB -0.003 68.943 68.868 0.129 0.000 0.963 476 T HN 0.316 nan 8.240 nan 0.000 0.545 477 P HA 0.153 nan 4.420 nan 0.000 0.263 477 P C 0.953 178.316 177.300 0.105 0.000 1.175 477 P CA 0.810 63.973 63.100 0.105 0.000 0.761 477 P CB 0.047 31.756 31.700 0.015 0.000 0.794 478 G N 3.506 112.398 108.800 0.152 0.000 2.834 478 G HA2 -0.328 3.706 3.960 0.123 0.000 0.931 478 G HA3 -0.328 3.706 3.960 0.123 0.000 0.931 478 G C -0.539 174.236 174.900 -0.209 0.000 1.388 478 G CA 0.112 45.261 45.100 0.081 0.000 0.964 478 G HN 0.762 nan 8.290 nan 0.000 0.545 479 R N -1.950 118.475 120.500 -0.125 0.000 2.855 479 R HA -0.160 4.254 4.340 0.123 0.000 0.288 479 R C -1.178 174.862 176.300 -0.434 0.000 0.942 479 R CA 0.783 56.758 56.100 -0.208 0.000 0.705 479 R CB -1.629 28.564 30.300 -0.178 0.000 1.791 479 R HN 0.590 nan 8.270 nan 0.000 0.478 480 Y N 1.656 121.979 120.300 0.039 0.000 2.331 480 Y HA 0.325 4.948 4.550 0.122 0.000 0.334 480 Y C 0.510 176.376 175.900 -0.057 0.000 0.960 480 Y CA -1.139 56.961 58.100 0.001 0.000 1.130 480 Y CB 1.129 39.670 38.460 0.135 0.000 1.164 480 Y HN 0.145 nan 8.280 nan 0.000 0.458 481 R N 2.555 123.071 120.500 0.026 0.000 2.234 481 R HA 0.563 4.976 4.340 0.123 0.000 0.324 481 R C -1.480 174.724 176.300 -0.161 0.000 1.054 481 R CA -0.504 55.545 56.100 -0.084 0.000 0.912 481 R CB 0.361 30.621 30.300 -0.066 0.000 1.030 481 R HN 0.400 nan 8.270 nan 0.000 0.455 482 V N 2.546 122.228 119.914 -0.387 0.000 2.444 482 V HA 0.486 4.680 4.120 0.123 0.000 0.294 482 V C 0.641 176.566 176.094 -0.281 0.000 1.022 482 V CA -0.820 61.220 62.300 -0.433 0.000 0.850 482 V CB 1.844 33.166 31.823 -0.834 0.000 0.992 482 V HN 0.906 nan 8.190 nan 0.000 0.426 483 G N 3.150 111.914 108.800 -0.059 0.000 2.372 483 G HA2 0.635 4.668 3.960 0.123 0.000 0.283 483 G HA3 0.635 4.668 3.960 0.123 0.000 0.283 483 G C -0.234 174.774 174.900 0.179 0.000 1.177 483 G CA -0.001 45.129 45.100 0.051 0.000 0.842 483 G HN 1.106 nan 8.290 nan 0.000 0.503 484 A N 1.870 124.847 122.820 0.262 0.000 2.342 484 A HA 0.835 5.229 4.320 0.123 0.000 0.323 484 A C -0.075 177.735 177.584 0.376 0.000 1.125 484 A CA -0.587 51.672 52.037 0.370 0.000 0.785 484 A CB 1.680 20.986 19.000 0.510 0.000 1.221 484 A HN 0.606 nan 8.150 nan 0.000 0.463 485 T N 2.775 117.505 114.554 0.293 0.000 2.906 485 T HA 0.332 4.756 4.350 0.123 0.000 0.302 485 T C -0.716 174.035 174.700 0.085 0.000 1.002 485 T CA -0.194 62.036 62.100 0.216 0.000 0.988 485 T CB 0.686 69.623 68.868 0.115 0.000 0.972 485 T HN 0.569 nan 8.240 nan 0.000 0.447 486 L N 5.346 126.557 121.223 -0.021 0.000 2.454 486 L HA 0.343 4.757 4.340 0.123 0.000 0.284 486 L C 0.374 177.183 176.870 -0.101 0.000 1.139 486 L CA 0.129 54.827 54.840 -0.236 0.000 0.911 486 L CB -0.391 41.335 42.059 -0.555 0.000 1.262 486 L HN 0.443 nan 8.230 nan 0.000 0.453 487 R N 3.481 123.939 120.500 -0.069 0.000 2.340 487 R HA 0.564 4.978 4.340 0.123 0.000 0.300 487 R C -0.329 175.941 176.300 -0.050 0.000 1.069 487 R CA -0.241 55.834 56.100 -0.041 0.000 0.984 487 R CB 0.921 31.207 30.300 -0.024 0.000 1.003 487 R HN 0.568 nan 8.270 nan 0.000 0.459 488 T N 0.115 114.648 114.554 -0.036 0.000 2.868 488 T HA 0.104 4.528 4.350 0.123 0.000 0.306 488 T C 0.475 175.165 174.700 -0.017 0.000 1.224 488 T CA -0.624 61.458 62.100 -0.032 0.000 1.012 488 T CB 1.914 70.761 68.868 -0.035 0.000 1.221 488 T HN 0.383 nan 8.240 nan 0.000 0.499 489 S N 0.992 116.685 115.700 -0.011 0.000 2.650 489 S HA 0.206 4.750 4.470 0.123 0.000 0.219 489 S C 1.369 175.972 174.600 0.005 0.000 0.960 489 S CA 0.329 58.527 58.200 -0.002 0.000 0.925 489 S CB -0.062 63.138 63.200 -0.001 0.000 0.775 489 S HN 0.715 nan 8.310 nan 0.000 0.525 490 A N 0.657 123.480 122.820 0.004 0.000 2.538 490 A HA 0.681 5.075 4.320 0.123 0.000 0.269 490 A C 0.812 178.407 177.584 0.019 0.000 1.231 490 A CA 0.168 52.214 52.037 0.015 0.000 0.948 490 A CB 0.011 19.020 19.000 0.015 0.000 1.110 490 A HN 0.593 nan 8.150 nan 0.000 0.529 491 G N 0.151 108.955 108.800 0.008 0.000 2.354 491 G HA2 0.075 4.109 3.960 0.123 0.000 0.582 491 G HA3 0.075 4.109 3.960 0.123 0.000 0.582 491 G C -0.882 174.017 174.900 -0.002 0.000 1.316 491 G CA -0.332 44.771 45.100 0.005 0.000 0.995 491 G HN 0.839 nan 8.290 nan 0.000 0.573 492 N N 0.206 118.906 118.700 -0.001 0.000 2.472 492 N HA 0.788 5.602 4.740 0.123 0.000 0.289 492 N C -0.389 175.149 175.510 0.047 0.000 1.156 492 N CA 0.114 53.170 53.050 0.011 0.000 0.940 492 N CB 2.215 40.702 38.487 0.000 0.000 1.200 492 N HN 1.971 nan 8.380 nan 0.000 0.511 493 A N 0.582 123.455 122.820 0.088 0.000 2.465 493 A HA 0.536 4.930 4.320 0.123 0.000 0.292 493 A C -1.086 176.716 177.584 0.363 0.000 1.041 493 A CA -0.642 51.511 52.037 0.193 0.000 0.718 493 A CB 0.762 19.869 19.000 0.178 0.000 1.266 493 A HN 0.900 nan 8.150 nan 0.000 0.403 494 S N 0.832 116.734 115.700 0.336 0.000 2.569 494 S HA 0.943 5.487 4.470 0.123 0.000 0.280 494 S C -0.363 174.273 174.600 0.061 0.000 1.111 494 S CA -0.307 58.075 58.200 0.304 0.000 0.887 494 S CB 2.059 65.360 63.200 0.168 0.000 1.095 494 S HN 1.469 nan 8.310 nan 0.000 0.476 495 T N 0.016 114.514 114.554 -0.093 0.000 2.681 495 T HA 0.778 5.202 4.350 0.123 0.000 0.296 495 T C -1.555 173.127 174.700 -0.029 0.000 1.157 495 T CA -0.303 61.665 62.100 -0.219 0.000 1.025 495 T CB 1.742 70.219 68.868 -0.651 0.000 1.441 495 T HN 0.822 nan 8.240 nan 0.000 0.504 496 T N 1.726 116.290 114.554 0.017 0.000 2.993 496 T HA 0.685 5.109 4.350 0.123 0.000 0.312 496 T C -1.554 173.258 174.700 0.186 0.000 1.115 496 T CA -0.501 61.652 62.100 0.089 0.000 1.027 496 T CB 0.605 69.481 68.868 0.013 0.000 1.116 496 T HN 0.509 nan 8.240 nan 0.000 0.464 497 F N -0.403 119.550 119.950 0.005 0.000 2.679 497 F HA 0.938 5.538 4.527 0.121 0.000 0.341 497 F C -0.331 175.505 175.800 0.060 0.000 1.095 497 F CA -1.173 56.838 58.000 0.019 0.000 1.004 497 F CB 0.783 39.794 39.000 0.019 0.000 1.388 497 F HN 0.329 nan 8.300 nan 0.000 0.505 498 T N 1.123 115.747 114.554 0.118 0.000 2.861 498 T HA 0.640 5.064 4.350 0.123 0.000 0.287 498 T C -1.354 173.434 174.700 0.146 0.000 1.003 498 T CA -0.566 61.556 62.100 0.037 0.000 0.977 498 T CB 1.803 70.711 68.868 0.067 0.000 0.996 498 T HN 0.569 nan 8.240 nan 0.000 0.448 499 V N 3.806 123.812 119.914 0.152 0.000 2.376 499 V HA 0.505 4.699 4.120 0.123 0.000 0.287 499 V C 0.356 176.621 176.094 0.286 0.000 1.015 499 V CA -0.923 61.508 62.300 0.218 0.000 0.834 499 V CB 1.444 33.398 31.823 0.218 0.000 1.001 499 V HN 1.079 nan 8.190 nan 0.000 0.428 500 T N 2.167 116.839 114.554 0.196 0.000 2.749 500 T HA 0.651 5.075 4.350 0.123 0.000 0.287 500 T C -0.432 174.369 174.700 0.169 0.000 0.970 500 T CA -0.650 61.562 62.100 0.186 0.000 0.980 500 T CB 1.469 70.394 68.868 0.095 0.000 0.924 500 T HN 0.717 nan 8.240 nan 0.000 0.456 501 V N 2.114 122.170 119.914 0.238 0.000 2.398 501 V HA 0.754 4.948 4.120 0.123 0.000 0.286 501 V C 0.889 177.045 176.094 0.103 0.000 1.026 501 V CA 0.482 62.876 62.300 0.158 0.000 0.868 501 V CB 0.214 32.145 31.823 0.181 0.000 0.982 501 V HN 1.652 nan 8.190 nan 0.000 0.443 502 G N 4.926 113.755 108.800 0.048 0.000 2.323 502 G HA2 -0.201 3.833 3.960 0.123 0.000 0.292 502 G HA3 -0.201 3.833 3.960 0.123 0.000 0.292 502 G C -0.467 174.434 174.900 0.001 0.000 1.040 502 G CA 0.921 46.033 45.100 0.021 0.000 0.942 502 G HN 1.118 nan 8.290 nan 0.000 0.506 503 L N -1.387 119.835 121.223 -0.003 0.000 2.354 503 L HA 0.684 5.098 4.340 0.123 0.000 0.264 503 L C 0.364 177.206 176.870 -0.047 0.000 1.008 503 L CA -1.504 53.319 54.840 -0.028 0.000 0.819 503 L CB 1.593 43.642 42.059 -0.017 0.000 1.339 503 L HN -0.022 nan 8.230 nan 0.000 0.420 504 L N 0.666 121.838 121.223 -0.086 0.000 2.456 504 L HA 0.273 4.687 4.340 0.123 0.000 0.257 504 L C 0.070 176.881 176.870 -0.098 0.000 1.162 504 L CA 0.115 54.869 54.840 -0.142 0.000 0.808 504 L CB 0.258 42.166 42.059 -0.251 0.000 1.136 504 L HN 0.422 nan 8.230 nan 0.000 0.466 505 D N -0.073 120.266 120.400 -0.103 0.000 2.316 505 D HA 0.121 4.835 4.640 0.123 0.000 0.245 505 D C 0.754 177.021 176.300 -0.055 0.000 1.171 505 D CA 0.120 54.087 54.000 -0.057 0.000 0.856 505 D CB 0.955 41.734 40.800 -0.035 0.000 1.090 505 D HN 0.450 nan 8.370 nan 0.000 0.476 506 Q N 2.545 122.324 119.800 -0.035 0.000 2.181 506 Q HA -0.164 4.250 4.340 0.123 0.000 0.205 506 Q C 1.693 177.682 176.000 -0.018 0.000 0.980 506 Q CA 1.340 57.128 55.803 -0.025 0.000 0.862 506 Q CB 0.027 28.759 28.738 -0.011 0.000 0.905 506 Q HN 0.637 nan 8.270 nan 0.000 0.429 507 A N 0.868 123.680 122.820 -0.013 0.000 2.178 507 A HA -0.144 4.250 4.320 0.123 0.000 0.218 507 A C 1.669 179.247 177.584 -0.010 0.000 1.157 507 A CA 0.918 52.950 52.037 -0.008 0.000 0.689 507 A CB -0.123 18.875 19.000 -0.003 0.000 0.787 507 A HN 0.208 nan 8.150 nan 0.000 0.465 508 R N -1.709 118.780 120.500 -0.019 0.000 2.308 508 R HA 0.315 4.729 4.340 0.123 0.000 0.202 508 R C 0.037 176.321 176.300 -0.026 0.000 0.898 508 R CA -0.083 56.006 56.100 -0.017 0.000 1.046 508 R CB 0.098 30.389 30.300 -0.015 0.000 1.026 508 R HN 0.452 nan 8.270 nan 0.000 0.512 509 M N 0.961 120.543 119.600 -0.030 0.000 2.288 509 M HA 0.147 4.701 4.480 0.123 0.000 0.334 509 M C 0.112 176.404 176.300 -0.012 0.000 1.150 509 M CA -0.013 55.271 55.300 -0.028 0.000 1.118 509 M CB 1.831 34.414 32.600 -0.028 0.000 1.501 509 M HN -0.041 nan 8.290 nan 0.000 0.462 510 S N 1.552 117.251 115.700 -0.003 0.000 2.607 510 S HA 0.630 5.174 4.470 0.123 0.000 0.273 510 S C -0.954 173.663 174.600 0.028 0.000 1.148 510 S CA -1.119 57.087 58.200 0.010 0.000 0.833 510 S CB 1.181 64.391 63.200 0.016 0.000 1.130 510 S HN 0.488 nan 8.310 nan 0.000 0.470 511 I N 2.167 122.747 120.570 0.016 0.000 2.396 511 I HA 0.364 4.608 4.170 0.123 0.000 0.289 511 I C 1.418 177.573 176.117 0.064 0.000 1.056 511 I CA -0.323 60.981 61.300 0.008 0.000 1.365 511 I CB 0.599 38.566 38.000 -0.055 0.000 1.407 511 I HN 1.008 nan 8.210 nan 0.000 0.509 512 A N 5.736 128.632 122.820 0.127 0.000 1.903 512 A HA 0.037 4.431 4.320 0.123 0.000 0.213 512 A C 0.294 177.925 177.584 0.079 0.000 1.185 512 A CA 1.106 53.260 52.037 0.194 0.000 0.628 512 A CB -0.113 19.112 19.000 0.374 0.000 0.830 512 A HN 0.819 nan 8.150 nan 0.000 0.446 513 D N -3.641 116.765 120.400 0.009 0.000 2.683 513 D HA 0.473 5.187 4.640 0.123 0.000 0.246 513 D C -1.134 175.100 176.300 -0.109 0.000 1.238 513 D CA -0.363 53.612 54.000 -0.041 0.000 0.759 513 D CB 1.182 41.956 40.800 -0.044 0.000 1.349 513 D HN 0.345 nan 8.370 nan 0.000 0.426 514 V N 0.212 120.075 119.914 -0.085 0.000 3.048 514 V HA 0.359 4.553 4.120 0.123 0.000 0.303 514 V C 0.294 176.413 176.094 0.041 0.000 1.214 514 V CA -0.659 61.586 62.300 -0.093 0.000 0.984 514 V CB 1.793 33.532 31.823 -0.141 0.000 1.054 514 V HN 0.874 nan 8.190 nan 0.000 0.430 515 D N 1.618 122.105 120.400 0.144 0.000 2.149 515 D HA -0.020 4.694 4.640 0.123 0.000 0.201 515 D C 0.630 177.043 176.300 0.189 0.000 0.972 515 D CA 1.481 55.582 54.000 0.168 0.000 0.835 515 D CB 0.408 41.344 40.800 0.227 0.000 0.966 515 D HN 0.835 nan 8.370 nan 0.000 0.476 516 S N -1.590 114.274 115.700 0.273 0.000 2.543 516 S HA 0.541 5.085 4.470 0.123 0.000 0.274 516 S C -1.289 173.515 174.600 0.340 0.000 1.149 516 S CA -1.074 57.260 58.200 0.224 0.000 0.866 516 S CB 2.414 65.709 63.200 0.159 0.000 1.111 516 S HN 0.098 nan 8.310 nan 0.000 0.457 517 E N 0.555 120.898 120.200 0.239 0.000 2.246 517 E HA 0.377 4.801 4.350 0.123 0.000 0.266 517 E C -1.380 175.289 176.600 0.116 0.000 0.880 517 E CA -0.583 55.982 56.400 0.275 0.000 0.762 517 E CB 1.973 31.803 29.700 0.217 0.000 1.180 517 E HN 0.649 nan 8.360 nan 0.000 0.416 518 E N 1.765 122.024 120.200 0.097 0.000 2.223 518 E HA 0.112 4.536 4.350 0.123 0.000 0.282 518 E C -0.300 176.289 176.600 -0.019 0.000 1.046 518 E CA 0.400 56.774 56.400 -0.044 0.000 0.857 518 E CB 1.006 30.673 29.700 -0.054 0.000 1.055 518 E HN 0.420 nan 8.360 nan 0.000 0.409 519 T N 2.258 116.767 114.554 -0.076 0.000 3.328 519 T HA 0.469 4.893 4.350 0.123 0.000 0.305 519 T C 0.421 175.072 174.700 -0.082 0.000 0.939 519 T CA 0.540 62.611 62.100 -0.049 0.000 0.950 519 T CB 0.060 68.921 68.868 -0.013 0.000 1.182 519 T HN 0.416 nan 8.240 nan 0.000 0.545 520 A N 1.386 124.116 122.820 -0.150 0.000 2.010 520 A HA 0.393 4.787 4.320 0.123 0.000 0.210 520 A C 2.175 179.668 177.584 -0.151 0.000 1.479 520 A CA 0.050 51.997 52.037 -0.150 0.000 0.748 520 A CB -0.082 18.804 19.000 -0.190 0.000 1.125 520 A HN 0.228 nan 8.150 nan 0.000 0.522 521 R N 0.780 121.125 120.500 -0.259 0.000 2.115 521 R HA -0.005 4.409 4.340 0.123 0.000 0.230 521 R C 0.455 176.763 176.300 0.014 0.000 1.111 521 R CA 1.502 57.500 56.100 -0.169 0.000 0.976 521 R CB -0.476 29.568 30.300 -0.427 0.000 0.870 521 R HN 0.886 nan 8.270 nan 0.000 0.445 522 E N -1.076 119.133 120.200 0.014 0.000 2.456 522 E HA 0.160 4.584 4.350 0.123 0.000 0.278 522 E C -1.522 175.084 176.600 0.009 0.000 1.034 522 E CA -0.814 55.630 56.400 0.072 0.000 0.846 522 E CB 0.759 30.581 29.700 0.204 0.000 1.460 522 E HN -0.293 nan 8.360 nan 0.000 0.463 523 D N 0.189 120.567 120.400 -0.036 0.000 2.494 523 D HA 0.292 5.006 4.640 0.123 0.000 0.217 523 D C -0.340 175.859 176.300 -0.168 0.000 1.153 523 D CA -0.058 53.888 54.000 -0.090 0.000 0.954 523 D CB 0.452 41.181 40.800 -0.119 0.000 1.034 523 D HN 0.585 nan 8.370 nan 0.000 0.518 524 G N 2.976 111.771 108.800 -0.008 0.000 4.291 524 G HA2 0.098 4.132 3.960 0.123 0.000 0.304 524 G HA3 0.098 4.132 3.960 0.123 0.000 0.304 524 G C 0.542 175.571 174.900 0.215 0.000 1.264 524 G CA -0.568 44.602 45.100 0.116 0.000 1.039 524 G HN 0.228 nan 8.290 nan 0.000 0.578 525 R N 0.736 121.306 120.500 0.117 0.000 2.489 525 R HA 0.401 4.815 4.340 0.123 0.000 0.287 525 R C 0.692 177.123 176.300 0.218 0.000 1.053 525 R CA 0.078 56.269 56.100 0.152 0.000 1.036 525 R CB 0.731 31.061 30.300 0.050 0.000 0.966 525 R HN 0.287 nan 8.270 nan 0.000 0.432 526 A N 2.419 125.325 122.820 0.142 0.000 2.396 526 A HA 0.335 4.729 4.320 0.123 0.000 0.279 526 A C 0.696 178.242 177.584 -0.064 0.000 1.165 526 A CA 0.681 52.618 52.037 -0.167 0.000 0.824 526 A CB 0.136 18.867 19.000 -0.449 0.000 1.100 526 A HN 1.012 nan 8.150 nan 0.000 0.516 527 S N 1.328 117.007 115.700 -0.034 0.000 3.857 527 S HA -0.115 4.429 4.470 0.123 0.000 0.140 527 S C 0.613 175.222 174.600 0.016 0.000 0.889 527 S CA 0.386 58.578 58.200 -0.014 0.000 0.957 527 S CB -1.507 61.688 63.200 -0.009 0.000 0.735 527 S HN 0.561 nan 8.310 nan 0.000 0.714 528 N N 2.254 120.983 118.700 0.047 0.000 2.467 528 N HA 0.153 4.967 4.740 0.123 0.000 0.184 528 N C 1.850 177.417 175.510 0.094 0.000 1.106 528 N CA 1.338 54.420 53.050 0.054 0.000 0.892 528 N CB 0.334 38.840 38.487 0.032 0.000 0.969 528 N HN 0.938 nan 8.380 nan 0.000 0.454 529 V N -0.646 119.329 119.914 0.102 0.000 2.871 529 V HA 0.064 4.258 4.120 0.123 0.000 0.256 529 V C 1.267 177.401 176.094 0.067 0.000 1.082 529 V CA 0.923 63.292 62.300 0.116 0.000 1.105 529 V CB -0.678 31.216 31.823 0.118 0.000 0.713 529 V HN 0.230 nan 8.190 nan 0.000 0.473 530 I N -0.017 120.574 120.570 0.036 0.000 3.731 530 I HA 0.449 4.693 4.170 0.123 0.000 0.341 530 I C 0.727 176.854 176.117 0.017 0.000 1.532 530 I CA 0.141 61.452 61.300 0.019 0.000 1.163 530 I CB -0.029 37.972 38.000 0.002 0.000 1.339 530 I HN 0.268 nan 8.210 nan 0.000 0.449 531 D N 0.554 120.971 120.400 0.027 0.000 2.469 531 D HA 0.138 4.852 4.640 0.123 0.000 0.213 531 D C 1.386 177.700 176.300 0.024 0.000 1.135 531 D CA 0.204 54.217 54.000 0.021 0.000 0.834 531 D CB 0.419 41.230 40.800 0.019 0.000 1.009 531 D HN 0.404 nan 8.370 nan 0.000 0.507 532 G N 0.874 109.693 108.800 0.030 0.000 2.176 532 G HA2 -0.289 3.745 3.960 0.123 0.000 0.252 532 G HA3 -0.289 3.745 3.960 0.123 0.000 0.252 532 G C -0.199 174.726 174.900 0.041 0.000 1.024 532 G CA 0.099 45.218 45.100 0.031 0.000 0.755 532 G HN 0.581 nan 8.290 nan 0.000 0.507 533 N N -0.273 118.459 118.700 0.053 0.000 2.519 533 N HA 0.521 5.335 4.740 0.123 0.000 0.286 533 N C -1.501 174.062 175.510 0.088 0.000 1.079 533 N CA -2.170 50.919 53.050 0.066 0.000 0.878 533 N CB 2.089 40.609 38.487 0.056 0.000 1.375 533 N HN -0.096 nan 8.380 nan 0.000 0.514 534 P HA -0.014 nan 4.420 nan 0.000 0.222 534 P C 0.683 178.064 177.300 0.135 0.000 1.147 534 P CA 0.973 64.136 63.100 0.104 0.000 0.790 534 P CB 0.412 32.157 31.700 0.075 0.000 0.780 535 S N -1.452 114.325 115.700 0.128 0.000 2.453 535 S HA -0.032 4.512 4.470 0.123 0.000 0.231 535 S C 1.114 175.820 174.600 0.177 0.000 1.005 535 S CA 1.018 59.306 58.200 0.146 0.000 0.949 535 S CB -1.119 62.154 63.200 0.122 0.000 0.774 535 S HN 0.320 nan 8.310 nan 0.000 0.510 536 T N 1.145 115.774 114.554 0.125 0.000 2.902 536 T HA 0.696 5.120 4.350 0.123 0.000 0.283 536 T C -0.587 174.192 174.700 0.131 0.000 1.009 536 T CA -0.952 61.159 62.100 0.018 0.000 1.051 536 T CB 1.162 70.015 68.868 -0.026 0.000 0.999 536 T HN 0.253 nan 8.240 nan 0.000 0.474 537 F N -0.961 119.056 119.950 0.111 0.000 2.631 537 F HA 0.746 5.346 4.527 0.123 0.000 0.308 537 F C -1.388 174.541 175.800 0.214 0.000 1.097 537 F CA -2.245 55.842 58.000 0.144 0.000 0.952 537 F CB 0.798 39.853 39.000 0.093 0.000 1.307 537 F HN 0.843 nan 8.300 nan 0.000 0.450 538 W N 4.054 125.514 121.300 0.266 0.000 2.316 538 W HA 0.600 5.334 4.660 0.123 0.000 0.321 538 W C -1.548 175.173 176.519 0.338 0.000 1.203 538 W CA -0.471 56.988 57.345 0.189 0.000 1.214 538 W CB 0.550 30.078 29.460 0.115 0.000 1.169 538 W HN 0.801 nan 8.180 nan 0.000 0.561 539 H N 3.239 122.271 119.070 -0.063 0.000 2.771 539 H HA 0.337 4.966 4.556 0.123 0.000 0.361 539 H C -0.649 174.405 175.328 -0.457 0.000 1.108 539 H CA -0.473 55.432 56.048 -0.237 0.000 1.201 539 H CB 2.000 31.892 29.762 0.217 0.000 1.681 539 H HN 0.361 nan 8.280 nan 0.000 0.534 540 T N 3.093 117.388 114.554 -0.431 0.000 2.918 540 T HA -0.005 4.419 4.350 0.123 0.000 0.302 540 T C 0.324 175.057 174.700 0.055 0.000 1.045 540 T CA -0.331 61.595 62.100 -0.290 0.000 1.114 540 T CB 0.301 68.791 68.868 -0.631 0.000 0.965 540 T HN 0.449 nan 8.240 nan 0.000 0.540 541 E N 3.551 123.773 120.200 0.037 0.000 2.918 541 E HA -0.060 4.364 4.350 0.123 0.000 0.232 541 E C 0.262 176.845 176.600 -0.029 0.000 1.073 541 E CA 0.195 56.581 56.400 -0.022 0.000 0.949 541 E CB 0.197 29.903 29.700 0.010 0.000 0.937 541 E HN 0.489 nan 8.360 nan 0.000 0.536 542 W N 2.246 123.340 121.300 -0.343 0.000 2.260 542 W HA 0.338 5.072 4.660 0.123 0.000 0.366 542 W C 0.188 176.558 176.519 -0.249 0.000 1.315 542 W CA -0.953 55.994 57.345 -0.665 0.000 1.458 542 W CB -0.176 28.576 29.460 -1.180 0.000 1.255 542 W HN 0.108 nan 8.180 nan 0.000 0.671 543 S N 1.377 117.290 115.700 0.356 0.000 2.615 543 S HA -0.172 4.372 4.470 0.123 0.000 0.261 543 S C 0.650 175.131 174.600 -0.198 0.000 1.401 543 S CA 0.798 59.158 58.200 0.266 0.000 0.993 543 S CB -0.086 63.406 63.200 0.487 0.000 0.851 543 S HN 0.523 nan 8.310 nan 0.000 0.526 544 R N -1.285 119.163 120.500 -0.087 0.000 3.418 544 R HA -0.126 4.287 4.340 0.123 0.000 0.274 544 R C -0.302 175.866 176.300 -0.221 0.000 1.108 544 R CA 0.830 56.813 56.100 -0.195 0.000 0.741 544 R CB -2.716 27.345 30.300 -0.400 0.000 1.223 544 R HN 1.567 nan 8.270 nan 0.000 0.434 545 A N -0.341 122.417 122.820 -0.104 0.000 0.616 545 A HA 0.093 4.487 4.320 0.123 0.000 0.189 545 A C -0.961 176.629 177.584 0.010 0.000 0.624 545 A CA -0.435 51.562 52.037 -0.065 0.000 0.447 545 A CB -0.027 18.901 19.000 -0.119 0.000 0.580 545 A HN 0.135 nan 8.150 nan 0.000 0.336 546 D N 2.202 122.631 120.400 0.047 0.000 2.416 546 D HA 0.535 5.249 4.640 0.123 0.000 0.240 546 D C 0.947 177.302 176.300 0.093 0.000 1.250 546 D CA 1.531 55.589 54.000 0.097 0.000 0.967 546 D CB 0.748 41.599 40.800 0.085 0.000 1.059 546 D HN 0.949 nan 8.370 nan 0.000 0.512 547 A N 4.166 127.066 122.820 0.133 0.000 2.275 547 A HA 0.596 4.990 4.320 0.123 0.000 0.282 547 A C -1.903 175.767 177.584 0.143 0.000 1.275 547 A CA -0.851 51.264 52.037 0.130 0.000 0.842 547 A CB -0.176 18.910 19.000 0.143 0.000 1.280 547 A HN 0.433 nan 8.150 nan 0.000 0.508 548 P HA 0.317 nan 4.420 nan 0.000 0.274 548 P C 0.234 177.596 177.300 0.103 0.000 1.246 548 P CA 0.187 63.349 63.100 0.103 0.000 0.795 548 P CB 0.534 32.289 31.700 0.091 0.000 1.006 549 G N -0.602 108.183 108.800 -0.025 0.000 2.509 549 G HA2 0.050 4.084 3.960 0.123 0.000 0.269 549 G HA3 0.050 4.084 3.960 0.123 0.000 0.269 549 G C 0.304 174.912 174.900 -0.487 0.000 1.416 549 G CA -0.362 44.672 45.100 -0.111 0.000 1.052 549 G HN 0.423 nan 8.290 nan 0.000 0.542 550 Y N 0.690 120.747 120.300 -0.404 0.000 2.315 550 Y HA 0.020 4.643 4.550 0.123 0.000 0.288 550 Y C -0.929 174.703 175.900 -0.447 0.000 1.154 550 Y CA 1.029 58.813 58.100 -0.527 0.000 1.229 550 Y CB -0.627 37.718 38.460 -0.192 0.000 0.980 550 Y HN 0.150 nan 8.280 nan 0.000 0.540 551 P HA 0.022 nan 4.420 nan 0.000 0.268 551 P C -0.764 176.477 177.300 -0.098 0.000 1.485 551 P CA 0.584 63.659 63.100 -0.042 0.000 1.102 551 P CB 0.019 31.711 31.700 -0.013 0.000 1.501 552 H N 3.360 122.462 119.070 0.053 0.000 2.567 552 H HA 0.673 5.304 4.556 0.123 0.000 0.345 552 H C 0.953 176.401 175.328 0.199 0.000 1.169 552 H CA -0.337 55.747 56.048 0.061 0.000 1.227 552 H CB 2.047 31.740 29.762 -0.115 0.000 1.607 552 H HN 0.390 nan 8.280 nan 0.000 0.534 553 R N 0.756 121.497 120.500 0.403 0.000 2.709 553 R HA 0.612 5.026 4.340 0.123 0.000 0.270 553 R C -1.862 174.471 176.300 0.055 0.000 1.038 553 R CA -0.824 55.422 56.100 0.243 0.000 0.872 553 R CB 1.452 31.792 30.300 0.067 0.000 1.259 553 R HN 0.573 nan 8.270 nan 0.000 0.473 554 I N 1.087 121.583 120.570 -0.124 0.000 2.656 554 I HA 0.540 4.784 4.170 0.123 0.000 0.292 554 I C -1.482 174.508 176.117 -0.212 0.000 1.144 554 I CA -0.529 60.557 61.300 -0.358 0.000 1.038 554 I CB 2.708 40.205 38.000 -0.838 0.000 1.244 554 I HN 0.860 nan 8.210 nan 0.000 0.420 555 S N 7.080 122.675 115.700 -0.175 0.000 2.513 555 S HA 0.711 5.255 4.470 0.123 0.000 0.299 555 S C -1.072 173.578 174.600 0.084 0.000 1.087 555 S CA -0.599 57.576 58.200 -0.040 0.000 1.012 555 S CB 1.925 65.081 63.200 -0.074 0.000 1.044 555 S HN 0.370 nan 8.310 nan 0.000 0.485 556 L N 2.461 123.798 121.223 0.190 0.000 2.334 556 L HA 0.516 4.930 4.340 0.123 0.000 0.276 556 L C -0.230 176.800 176.870 0.267 0.000 1.014 556 L CA -0.466 54.472 54.840 0.164 0.000 0.815 556 L CB 1.403 43.516 42.059 0.089 0.000 1.268 556 L HN 0.610 nan 8.230 nan 0.000 0.428 557 D N 2.099 122.591 120.400 0.154 0.000 2.359 557 D HA 0.182 4.896 4.640 0.123 0.000 0.230 557 D C 0.738 176.967 176.300 -0.119 0.000 1.118 557 D CA -0.312 53.634 54.000 -0.090 0.000 0.844 557 D CB 1.085 41.856 40.800 -0.047 0.000 1.059 557 D HN 0.253 nan 8.370 nan 0.000 0.493 558 L N 3.518 124.646 121.223 -0.158 0.000 2.362 558 L HA 0.170 4.584 4.340 0.123 0.000 0.219 558 L C 2.009 178.840 176.870 -0.065 0.000 1.134 558 L CA 1.282 56.071 54.840 -0.086 0.000 0.807 558 L CB -0.747 41.293 42.059 -0.031 0.000 0.927 558 L HN 0.866 nan 8.230 nan 0.000 0.447 559 G N -1.724 107.014 108.800 -0.104 0.000 2.132 559 G HA2 0.119 4.153 3.960 0.123 0.000 0.228 559 G HA3 0.119 4.153 3.960 0.123 0.000 0.228 559 G C 0.547 175.453 174.900 0.010 0.000 1.000 559 G CA 0.065 45.138 45.100 -0.045 0.000 0.693 559 G HN 0.935 nan 8.290 nan 0.000 0.515 560 G N -2.307 106.483 108.800 -0.017 0.000 2.347 560 G HA2 0.533 4.566 3.960 0.123 0.000 0.321 560 G HA3 0.533 4.566 3.960 0.123 0.000 0.321 560 G C -0.450 174.426 174.900 -0.040 0.000 1.412 560 G CA 0.253 45.326 45.100 -0.045 0.000 0.990 560 G HN 1.223 nan 8.290 nan 0.000 0.637 561 T N 1.950 116.412 114.554 -0.153 0.000 2.814 561 T HA 0.611 5.035 4.350 0.123 0.000 0.297 561 T C -0.125 174.391 174.700 -0.307 0.000 0.956 561 T CA 0.062 62.085 62.100 -0.128 0.000 1.123 561 T CB 0.509 69.317 68.868 -0.100 0.000 0.902 561 T HN 0.523 nan 8.240 nan 0.000 0.528 562 H N 0.713 119.774 119.070 -0.014 0.000 2.946 562 H HA 0.340 4.970 4.556 0.123 0.000 0.365 562 H C -0.424 174.913 175.328 0.015 0.000 1.197 562 H CA -0.754 55.291 56.048 -0.003 0.000 1.131 562 H CB 2.014 31.773 29.762 -0.005 0.000 1.849 562 H HN 0.428 nan 8.280 nan 0.000 0.555 563 T N 3.675 118.309 114.554 0.133 0.000 2.762 563 T HA 0.320 4.744 4.350 0.123 0.000 0.303 563 T C 0.757 175.512 174.700 0.092 0.000 0.977 563 T CA -0.517 61.637 62.100 0.091 0.000 0.961 563 T CB -0.727 68.172 68.868 0.053 0.000 0.944 563 T HN 0.343 nan 8.240 nan 0.000 0.481 564 I N 0.607 121.245 120.570 0.114 0.000 2.525 564 I HA 0.745 4.989 4.170 0.123 0.000 0.301 564 I C 0.342 176.449 176.117 -0.016 0.000 0.992 564 I CA -0.833 60.508 61.300 0.068 0.000 1.162 564 I CB 2.189 40.273 38.000 0.141 0.000 1.332 564 I HN 0.486 nan 8.210 nan 0.000 0.458 565 S N 2.238 117.755 115.700 -0.305 0.000 3.073 565 S HA 0.719 5.263 4.470 0.123 0.000 0.252 565 S C 0.043 174.028 174.600 -1.025 0.000 0.953 565 S CA -0.077 57.721 58.200 -0.669 0.000 1.105 565 S CB 0.151 63.174 63.200 -0.294 0.000 1.070 565 S HN 1.470 nan 8.310 nan 0.000 0.574 566 G N 0.630 108.813 108.800 -1.028 0.000 2.325 566 G HA2 0.486 4.520 3.960 0.123 0.000 0.297 566 G HA3 0.486 4.520 3.960 0.123 0.000 0.297 566 G C -2.465 172.265 174.900 -0.284 0.000 1.448 566 G CA -0.596 44.112 45.100 -0.652 0.000 0.838 566 G HN 0.810 nan 8.290 nan 0.000 0.579 567 L N -0.624 120.456 121.223 -0.239 0.000 2.513 567 L HA 0.757 5.171 4.340 0.123 0.000 0.261 567 L C -0.885 175.717 176.870 -0.446 0.000 0.945 567 L CA -0.445 54.234 54.840 -0.268 0.000 0.848 567 L CB 2.173 44.089 42.059 -0.239 0.000 1.334 567 L HN 0.698 nan 8.230 nan 0.000 0.407 568 Q N 3.657 123.228 119.800 -0.380 0.000 2.365 568 Q HA 0.606 5.020 4.340 0.123 0.000 0.269 568 Q C -1.839 173.996 176.000 -0.276 0.000 1.061 568 Q CA -0.809 54.789 55.803 -0.340 0.000 0.816 568 Q CB 2.589 31.246 28.738 -0.136 0.000 1.325 568 Q HN 0.545 nan 8.270 nan 0.000 0.446 569 Y N -1.808 118.446 120.300 -0.076 0.000 2.492 569 Y HA 0.624 5.248 4.550 0.123 0.000 0.346 569 Y C -0.649 175.308 175.900 0.094 0.000 0.997 569 Y CA -1.856 56.258 58.100 0.023 0.000 1.025 569 Y CB 0.689 39.181 38.460 0.053 0.000 1.263 569 Y HN 0.326 nan 8.280 nan 0.000 0.454 570 T N 4.226 118.959 114.554 0.298 0.000 2.794 570 T HA 0.500 4.924 4.350 0.123 0.000 0.280 570 T C 0.311 175.107 174.700 0.159 0.000 0.987 570 T CA -1.035 61.179 62.100 0.189 0.000 0.993 570 T CB 1.023 69.966 68.868 0.125 0.000 0.939 570 T HN 0.440 nan 8.240 nan 0.000 0.449 571 R N 1.566 122.117 120.500 0.085 0.000 2.822 571 R HA 0.231 4.645 4.340 0.123 0.000 0.277 571 R C 0.708 177.008 176.300 0.001 0.000 1.102 571 R CA -0.587 55.513 56.100 0.001 0.000 1.207 571 R CB 0.542 30.800 30.300 -0.070 0.000 1.139 571 R HN 0.577 nan 8.270 nan 0.000 0.557 572 R N 1.449 121.907 120.500 -0.070 0.000 2.347 572 R HA -0.034 4.380 4.340 0.123 0.000 0.304 572 R C 0.953 177.189 176.300 -0.106 0.000 1.072 572 R CA -0.171 55.862 56.100 -0.111 0.000 0.980 572 R CB 0.710 30.813 30.300 -0.327 0.000 0.986 572 R HN 0.441 nan 8.270 nan 0.000 0.448 573 Q N 2.397 122.167 119.800 -0.050 0.000 2.079 573 Q HA -0.099 4.315 4.340 0.123 0.000 0.200 573 Q C 0.172 176.129 176.000 -0.072 0.000 0.974 573 Q CA 1.421 57.198 55.803 -0.044 0.000 0.840 573 Q CB 0.048 28.784 28.738 -0.004 0.000 0.898 573 Q HN 0.602 nan 8.270 nan 0.000 0.430 574 N N 0.416 119.062 118.700 -0.090 0.000 2.671 574 N HA 0.170 4.984 4.740 0.123 0.000 0.303 574 N C -1.090 174.334 175.510 -0.143 0.000 1.351 574 N CA 0.065 53.058 53.050 -0.095 0.000 0.991 574 N CB 0.955 39.408 38.487 -0.057 0.000 1.307 574 N HN -0.072 nan 8.380 nan 0.000 0.512 575 S N -0.965 114.632 115.700 -0.171 0.000 2.579 575 S HA 0.511 5.055 4.470 0.123 0.000 0.290 575 S C -0.603 173.889 174.600 -0.179 0.000 1.123 575 S CA -0.433 57.650 58.200 -0.194 0.000 0.894 575 S CB 0.889 63.928 63.200 -0.268 0.000 1.095 575 S HN 0.202 nan 8.310 nan 0.000 0.450 576 A N 3.157 125.885 122.820 -0.153 0.000 2.430 576 A HA 0.338 4.732 4.320 0.123 0.000 0.243 576 A C 0.756 178.269 177.584 -0.119 0.000 1.254 576 A CA -0.106 51.853 52.037 -0.130 0.000 0.914 576 A CB -0.097 18.844 19.000 -0.099 0.000 0.998 576 A HN 0.657 nan 8.150 nan 0.000 0.515 577 N N 0.970 119.585 118.700 -0.142 0.000 2.236 577 N HA 0.019 4.833 4.740 0.123 0.000 0.196 577 N C -0.107 175.380 175.510 -0.038 0.000 1.114 577 N CA 0.335 53.320 53.050 -0.108 0.000 0.859 577 N CB 0.562 38.868 38.487 -0.301 0.000 0.982 577 N HN 0.614 nan 8.380 nan 0.000 0.493 578 E N 0.069 120.210 120.200 -0.098 0.000 2.989 578 E HA 0.132 4.556 4.350 0.123 0.000 0.207 578 E C -0.354 176.166 176.600 -0.133 0.000 0.989 578 E CA -0.179 56.164 56.400 -0.095 0.000 1.186 578 E CB -0.115 29.407 29.700 -0.297 0.000 1.141 578 E HN 0.203 nan 8.360 nan 0.000 0.454 579 Q N 1.051 120.774 119.800 -0.127 0.000 2.294 579 Q HA 0.299 4.713 4.340 0.123 0.000 0.257 579 Q C -0.079 175.778 176.000 -0.238 0.000 0.955 579 Q CA -0.528 55.156 55.803 -0.199 0.000 0.936 579 Q CB 2.107 30.719 28.738 -0.209 0.000 1.188 579 Q HN 0.068 nan 8.270 nan 0.000 0.420 580 V N 2.435 122.152 119.914 -0.328 0.000 2.655 580 V HA 0.058 4.252 4.120 0.123 0.000 0.300 580 V C 0.632 176.355 176.094 -0.618 0.000 1.044 580 V CA 0.660 62.747 62.300 -0.356 0.000 1.095 580 V CB 0.648 32.305 31.823 -0.276 0.000 0.952 580 V HN 1.006 nan 8.190 nan 0.000 0.485 581 A N 3.918 126.555 122.820 -0.306 0.000 2.392 581 A HA 0.290 4.684 4.320 0.123 0.000 0.217 581 A C 0.630 178.258 177.584 0.073 0.000 2.391 581 A CA -0.129 51.783 52.037 -0.207 0.000 1.329 581 A CB -0.109 18.786 19.000 -0.176 0.000 1.199 581 A HN 0.697 nan 8.150 nan 0.000 0.527 582 D N 0.192 120.633 120.400 0.068 0.000 2.350 582 D HA 0.479 5.193 4.640 0.123 0.000 0.249 582 D C -1.052 175.433 176.300 0.307 0.000 1.119 582 D CA 0.759 54.842 54.000 0.138 0.000 0.886 582 D CB 0.816 41.629 40.800 0.022 0.000 1.195 582 D HN 0.442 nan 8.370 nan 0.000 0.437 583 Y N -1.349 119.095 120.300 0.240 0.000 2.644 583 Y HA 0.639 5.264 4.550 0.124 0.000 0.338 583 Y C -1.058 174.952 175.900 0.183 0.000 1.119 583 Y CA -1.105 57.158 58.100 0.272 0.000 1.060 583 Y CB 1.498 40.200 38.460 0.404 0.000 1.294 583 Y HN 0.153 nan 8.280 nan 0.000 0.472 584 E N 1.482 121.878 120.200 0.327 0.000 2.321 584 E HA 0.535 4.959 4.350 0.123 0.000 0.278 584 E C -1.708 175.011 176.600 0.198 0.000 0.902 584 E CA -0.750 55.726 56.400 0.127 0.000 0.758 584 E CB 3.156 32.901 29.700 0.076 0.000 1.213 584 E HN 0.631 nan 8.360 nan 0.000 0.426 585 I N 2.182 122.763 120.570 0.019 0.000 2.460 585 I HA 0.415 4.659 4.170 0.123 0.000 0.298 585 I C -1.072 174.869 176.117 -0.295 0.000 0.989 585 I CA -0.617 60.683 61.300 -0.000 0.000 1.173 585 I CB 0.852 38.863 38.000 0.019 0.000 1.338 585 I HN 0.416 nan 8.210 nan 0.000 0.456 586 Y N 2.200 122.543 120.300 0.072 0.000 2.492 586 Y HA 0.553 5.177 4.550 0.123 0.000 0.346 586 Y C 0.267 176.398 175.900 0.385 0.000 0.997 586 Y CA -0.820 57.388 58.100 0.180 0.000 1.025 586 Y CB 2.367 40.972 38.460 0.241 0.000 1.263 586 Y HN 0.570 nan 8.280 nan 0.000 0.454 587 T N -1.507 113.300 114.554 0.421 0.000 2.926 587 T HA 0.874 5.298 4.350 0.123 0.000 0.289 587 T C -0.587 174.092 174.700 -0.036 0.000 1.054 587 T CA -0.860 61.404 62.100 0.273 0.000 1.015 587 T CB 2.016 70.929 68.868 0.075 0.000 1.167 587 T HN 0.605 nan 8.240 nan 0.000 0.526 588 S N -0.220 115.269 115.700 -0.351 0.000 2.567 588 S HA 0.499 5.043 4.470 0.123 0.000 0.270 588 S C -1.047 173.410 174.600 -0.239 0.000 1.152 588 S CA -0.698 57.162 58.200 -0.567 0.000 0.835 588 S CB 1.029 63.305 63.200 -1.540 0.000 1.115 588 S HN 1.025 nan 8.310 nan 0.000 0.459 589 L N 1.970 123.099 121.223 -0.157 0.000 3.076 589 L HA 0.554 4.968 4.340 0.123 0.000 0.271 589 L C 1.100 177.993 176.870 0.039 0.000 1.152 589 L CA 0.427 55.267 54.840 0.001 0.000 0.996 589 L CB -1.277 40.771 42.059 -0.018 0.000 1.453 589 L HN 0.624 nan 8.230 nan 0.000 0.571 590 N N 0.975 119.629 118.700 -0.077 0.000 2.356 590 N HA 0.182 4.996 4.740 0.123 0.000 0.178 590 N C 1.511 176.953 175.510 -0.114 0.000 1.075 590 N CA 1.024 54.042 53.050 -0.053 0.000 0.889 590 N CB 0.076 38.516 38.487 -0.079 0.000 0.999 590 N HN 0.413 nan 8.380 nan 0.000 0.464 591 G N -1.309 107.245 108.800 -0.411 0.000 2.176 591 G HA2 -0.300 3.734 3.960 0.123 0.000 0.253 591 G HA3 -0.300 3.734 3.960 0.123 0.000 0.253 591 G C 0.808 175.384 174.900 -0.541 0.000 0.979 591 G CA 0.902 45.433 45.100 -0.949 0.000 0.641 591 G HN 0.556 nan 8.290 nan 0.000 0.530 592 T N -0.274 114.072 114.554 -0.347 0.000 3.019 592 T HA 0.306 4.730 4.350 0.123 0.000 0.247 592 T C 1.300 175.952 174.700 -0.081 0.000 0.992 592 T CA 2.004 64.028 62.100 -0.127 0.000 1.036 592 T CB 0.081 68.907 68.868 -0.071 0.000 1.063 592 T HN 1.058 nan 8.240 nan 0.000 0.476 593 T N 0.383 114.820 114.554 -0.195 0.000 2.753 593 T HA 0.549 4.973 4.350 0.123 0.000 0.297 593 T C -0.925 173.639 174.700 -0.226 0.000 0.981 593 T CA -0.749 61.289 62.100 -0.103 0.000 0.956 593 T CB 0.203 69.032 68.868 -0.064 0.000 0.936 593 T HN 0.265 nan 8.240 nan 0.000 0.463 594 W N 2.945 124.224 121.300 -0.035 0.000 2.417 594 W HA 0.490 5.223 4.660 0.123 0.000 0.317 594 W C 0.075 176.650 176.519 0.093 0.000 1.121 594 W CA -0.431 56.920 57.345 0.010 0.000 1.208 594 W CB 1.158 30.578 29.460 -0.065 0.000 1.253 594 W HN 0.879 nan 8.180 nan 0.000 0.533 595 D N 1.715 122.315 120.400 0.333 0.000 2.498 595 D HA 0.805 5.518 4.640 0.123 0.000 0.247 595 D C 0.139 176.603 176.300 0.275 0.000 1.070 595 D CA -0.494 53.668 54.000 0.271 0.000 0.842 595 D CB 1.814 42.677 40.800 0.105 0.000 1.361 595 D HN 0.566 nan 8.370 nan 0.000 0.484 596 G N 1.374 110.294 108.800 0.200 0.000 2.367 596 G HA2 0.266 4.299 3.960 0.123 0.000 0.272 596 G HA3 0.266 4.299 3.960 0.123 0.000 0.272 596 G C -2.831 171.979 174.900 -0.150 0.000 1.271 596 G CA -0.788 44.215 45.100 -0.162 0.000 0.893 596 G HN 0.601 nan 8.290 nan 0.000 0.485 597 P HA 0.363 nan 4.420 nan 0.000 0.271 597 P C 0.521 177.601 177.300 -0.366 0.000 1.216 597 P CA -0.055 62.623 63.100 -0.703 0.000 0.776 597 P CB 1.809 33.208 31.700 -0.502 0.000 0.881 598 V N 1.049 120.727 119.914 -0.392 0.000 3.506 598 V HA 0.276 4.470 4.120 0.123 0.000 0.263 598 V C 0.950 176.910 176.094 -0.224 0.000 1.203 598 V CA 1.311 63.408 62.300 -0.339 0.000 1.133 598 V CB -0.454 30.998 31.823 -0.618 0.000 0.802 598 V HN 0.901 nan 8.190 nan 0.000 0.459 599 A N -1.117 121.599 122.820 -0.174 0.000 2.608 599 A HA 0.799 5.193 4.320 0.123 0.000 0.292 599 A C -0.819 176.725 177.584 -0.067 0.000 1.066 599 A CA -0.320 51.708 52.037 -0.017 0.000 0.676 599 A CB 1.635 20.741 19.000 0.176 0.000 1.277 599 A HN 0.083 nan 8.150 nan 0.000 0.413 600 S N -0.903 114.728 115.700 -0.116 0.000 2.537 600 S HA 0.936 5.480 4.470 0.123 0.000 0.271 600 S C -0.142 174.199 174.600 -0.432 0.000 1.148 600 S CA -0.107 57.893 58.200 -0.333 0.000 0.868 600 S CB 1.843 64.923 63.200 -0.200 0.000 1.115 600 S HN 2.428 nan 8.310 nan 0.000 0.461 601 G N 0.850 109.169 108.800 -0.802 0.000 2.321 601 G HA2 0.569 4.603 3.960 0.123 0.000 0.296 601 G HA3 0.569 4.603 3.960 0.123 0.000 0.296 601 G C -2.140 172.540 174.900 -0.366 0.000 1.287 601 G CA -0.903 43.942 45.100 -0.426 0.000 0.846 601 G HN 0.731 nan 8.290 nan 0.000 0.508 602 R N -0.159 120.409 120.500 0.113 0.000 2.483 602 R HA 0.630 5.044 4.340 0.123 0.000 0.303 602 R C -0.733 175.865 176.300 0.495 0.000 0.987 602 R CA -0.789 55.485 56.100 0.291 0.000 0.881 602 R CB 0.690 31.053 30.300 0.104 0.000 1.177 602 R HN 0.626 nan 8.270 nan 0.000 0.451 603 F N 1.059 121.166 119.950 0.262 0.000 2.370 603 F HA 0.524 5.124 4.527 0.123 0.000 0.319 603 F C 0.756 176.560 175.800 0.007 0.000 1.129 603 F CA -1.004 57.055 58.000 0.099 0.000 1.109 603 F CB -0.084 38.885 39.000 -0.052 0.000 1.262 603 F HN 0.516 nan 8.300 nan 0.000 0.534 604 T N -2.454 112.182 114.554 0.136 0.000 2.753 604 T HA 0.175 4.599 4.350 0.123 0.000 0.309 604 T C 0.755 175.398 174.700 -0.095 0.000 1.043 604 T CA -0.024 62.079 62.100 0.005 0.000 0.964 604 T CB 0.194 69.088 68.868 0.044 0.000 1.206 604 T HN 0.673 nan 8.240 nan 0.000 0.528 605 T N 0.918 115.429 114.554 -0.071 0.000 3.144 605 T HA 0.252 4.676 4.350 0.123 0.000 0.249 605 T C 0.822 175.492 174.700 -0.051 0.000 1.089 605 T CA -0.044 62.005 62.100 -0.086 0.000 0.989 605 T CB -0.409 68.415 68.868 -0.072 0.000 0.992 605 T HN 0.644 nan 8.240 nan 0.000 0.540 606 S N 1.047 116.738 115.700 -0.015 0.000 2.537 606 S HA 0.184 4.728 4.470 0.123 0.000 0.286 606 S C 1.305 175.909 174.600 0.007 0.000 1.299 606 S CA -0.330 57.874 58.200 0.008 0.000 1.067 606 S CB 0.139 63.365 63.200 0.042 0.000 0.864 606 S HN 0.391 nan 8.310 nan 0.000 0.494 607 L N 3.674 124.895 121.223 -0.003 0.000 2.313 607 L HA 0.117 4.531 4.340 0.123 0.000 0.214 607 L C 1.463 178.342 176.870 0.014 0.000 1.119 607 L CA 0.386 55.224 54.840 -0.004 0.000 0.809 607 L CB -0.521 41.528 42.059 -0.017 0.000 0.933 607 L HN 0.695 nan 8.230 nan 0.000 0.449 608 A N -0.101 122.730 122.820 0.018 0.000 2.259 608 A HA 0.466 4.860 4.320 0.123 0.000 0.278 608 A C -2.300 175.317 177.584 0.055 0.000 1.107 608 A CA -1.207 50.842 52.037 0.018 0.000 0.828 608 A CB -0.329 18.671 19.000 0.001 0.000 1.111 608 A HN -0.092 nan 8.150 nan 0.000 0.498 609 P HA 0.302 nan 4.420 nan 0.000 0.271 609 P C -1.084 176.283 177.300 0.112 0.000 1.218 609 P CA 0.172 63.324 63.100 0.086 0.000 0.780 609 P CB 0.486 32.201 31.700 0.024 0.000 0.901 610 Q N 1.878 121.806 119.800 0.213 0.000 2.340 610 Q HA 0.491 4.905 4.340 0.123 0.000 0.268 610 Q C -0.590 175.471 176.000 0.102 0.000 1.031 610 Q CA -0.962 54.975 55.803 0.223 0.000 0.804 610 Q CB 1.708 30.658 28.738 0.355 0.000 1.286 610 Q HN 0.278 nan 8.270 nan 0.000 0.448 611 R N 0.742 121.258 120.500 0.026 0.000 2.349 611 R HA 0.738 5.152 4.340 0.123 0.000 0.299 611 R C -0.876 175.380 176.300 -0.073 0.000 1.027 611 R CA -0.706 55.343 56.100 -0.084 0.000 0.958 611 R CB 0.669 30.936 30.300 -0.054 0.000 1.047 611 R HN 0.540 nan 8.270 nan 0.000 0.468 612 A N 2.777 125.487 122.820 -0.183 0.000 2.431 612 A HA 0.511 4.905 4.320 0.123 0.000 0.318 612 A C -0.760 176.817 177.584 -0.012 0.000 1.330 612 A CA -0.772 51.239 52.037 -0.044 0.000 0.804 612 A CB 0.604 19.482 19.000 -0.203 0.000 1.135 612 A HN 0.472 nan 8.150 nan 0.000 0.483 613 V N 2.952 122.879 119.914 0.021 0.000 2.612 613 V HA 0.790 4.984 4.120 0.123 0.000 0.301 613 V C -0.379 175.758 176.094 0.072 0.000 1.046 613 V CA -0.193 62.056 62.300 -0.085 0.000 0.946 613 V CB 1.103 32.886 31.823 -0.067 0.000 1.003 613 V HN 0.840 nan 8.190 nan 0.000 0.459 614 F N 2.628 122.580 119.950 0.004 0.000 2.668 614 F HA 0.779 5.380 4.527 0.124 0.000 0.309 614 F C -3.150 172.656 175.800 0.009 0.000 1.117 614 F CA -3.239 54.765 58.000 0.008 0.000 0.951 614 F CB 0.784 39.789 39.000 0.009 0.000 1.323 614 F HN 0.229 nan 8.300 nan 0.000 0.451 615 P HA 0.264 nan 4.420 nan 0.000 0.263 615 P C -0.284 177.137 177.300 0.201 0.000 1.195 615 P CA 0.187 63.377 63.100 0.150 0.000 0.762 615 P CB 0.461 32.234 31.700 0.122 0.000 0.799 616 A N 4.805 127.676 122.820 0.085 0.000 2.624 616 A HA 0.182 4.576 4.320 0.123 0.000 0.231 616 A C 0.673 178.343 177.584 0.144 0.000 1.034 616 A CA 0.795 52.883 52.037 0.086 0.000 0.754 616 A CB -0.395 18.625 19.000 0.033 0.000 0.953 616 A HN 0.751 nan 8.150 nan 0.000 0.509 617 R N 0.612 121.213 120.500 0.169 0.000 2.728 617 R HA 0.542 4.956 4.340 0.123 0.000 0.274 617 R C -2.066 174.311 176.300 0.129 0.000 1.032 617 R CA -0.957 55.229 56.100 0.143 0.000 0.866 617 R CB 0.804 31.203 30.300 0.165 0.000 1.263 617 R HN 0.417 nan 8.270 nan 0.000 0.475 618 D N 0.207 120.657 120.400 0.083 0.000 2.210 618 D HA 0.721 5.435 4.640 0.123 0.000 0.249 618 D C -0.671 175.668 176.300 0.065 0.000 1.062 618 D CA 0.071 54.111 54.000 0.066 0.000 0.891 618 D CB 1.898 42.715 40.800 0.028 0.000 1.186 618 D HN 0.758 nan 8.370 nan 0.000 0.432 619 A N 1.755 124.619 122.820 0.073 0.000 2.599 619 A HA 0.427 4.821 4.320 0.123 0.000 0.294 619 A C 0.146 177.766 177.584 0.061 0.000 1.055 619 A CA -0.601 51.474 52.037 0.063 0.000 0.683 619 A CB 1.751 20.812 19.000 0.102 0.000 1.278 619 A HN 0.366 nan 8.150 nan 0.000 0.412 620 R N -0.618 119.899 120.500 0.029 0.000 2.279 620 R HA 0.257 4.670 4.340 0.123 0.000 0.195 620 R C -0.978 175.205 176.300 -0.196 0.000 0.905 620 R CA 0.982 57.031 56.100 -0.084 0.000 1.044 620 R CB 0.172 30.373 30.300 -0.165 0.000 1.056 620 R HN 0.717 nan 8.270 nan 0.000 0.535 621 Y N -0.777 119.515 120.300 -0.012 0.000 2.545 621 Y HA 0.515 5.139 4.550 0.123 0.000 0.348 621 Y C -0.425 175.606 175.900 0.218 0.000 1.002 621 Y CA -0.934 57.221 58.100 0.091 0.000 1.039 621 Y CB 2.166 40.651 38.460 0.042 0.000 1.271 621 Y HN -0.194 nan 8.280 nan 0.000 0.467 622 I N 2.603 123.510 120.570 0.562 0.000 2.686 622 I HA 0.602 4.846 4.170 0.123 0.000 0.295 622 I C -1.323 175.062 176.117 0.447 0.000 1.114 622 I CA -0.904 60.705 61.300 0.515 0.000 1.038 622 I CB 1.813 39.986 38.000 0.288 0.000 1.238 622 I HN 0.805 nan 8.210 nan 0.000 0.420 623 R N 7.042 127.731 120.500 0.316 0.000 2.621 623 R HA 0.613 5.027 4.340 0.123 0.000 0.292 623 R C -2.296 174.055 176.300 0.085 0.000 0.969 623 R CA -0.706 55.361 56.100 -0.056 0.000 0.887 623 R CB 1.989 31.845 30.300 -0.740 0.000 1.180 623 R HN 0.592 nan 8.270 nan 0.000 0.450 624 L N 4.660 125.932 121.223 0.082 0.000 2.305 624 L HA 0.454 4.868 4.340 0.123 0.000 0.284 624 L C -1.478 175.527 176.870 0.225 0.000 1.013 624 L CA -0.546 54.414 54.840 0.200 0.000 0.819 624 L CB 1.956 44.156 42.059 0.234 0.000 1.227 624 L HN 0.474 nan 8.230 nan 0.000 0.417 625 V N 5.215 125.311 119.914 0.302 0.000 2.370 625 V HA 0.757 4.951 4.120 0.123 0.000 0.283 625 V C 0.228 176.552 176.094 0.383 0.000 1.023 625 V CA -0.373 62.101 62.300 0.290 0.000 0.857 625 V CB 1.350 33.349 31.823 0.294 0.000 0.985 625 V HN 0.941 nan 8.190 nan 0.000 0.443 626 A N 5.440 128.504 122.820 0.407 0.000 2.260 626 A HA 0.705 5.099 4.320 0.123 0.000 0.314 626 A C 0.486 178.333 177.584 0.438 0.000 1.257 626 A CA -0.406 51.918 52.037 0.479 0.000 0.871 626 A CB 0.652 19.986 19.000 0.556 0.000 1.166 626 A HN 0.877 nan 8.150 nan 0.000 0.522 627 L N 1.943 123.362 121.223 0.327 0.000 2.354 627 L HA 0.151 4.565 4.340 0.123 0.000 0.212 627 L C 1.018 177.950 176.870 0.104 0.000 1.091 627 L CA 0.952 55.919 54.840 0.211 0.000 0.828 627 L CB -0.085 42.048 42.059 0.124 0.000 0.973 627 L HN 0.811 nan 8.230 nan 0.000 0.461 628 S N -2.004 113.646 115.700 -0.083 0.000 2.596 628 S HA 0.428 4.972 4.470 0.123 0.000 0.270 628 S C -1.136 172.987 174.600 -0.795 0.000 1.155 628 S CA -0.916 56.974 58.200 -0.516 0.000 0.827 628 S CB 2.702 65.744 63.200 -0.264 0.000 1.130 628 S HN -0.005 nan 8.310 nan 0.000 0.467 629 E N 0.288 119.897 120.200 -0.986 0.000 2.191 629 E HA 0.312 4.736 4.350 0.123 0.000 0.274 629 E C 0.562 176.961 176.600 -0.335 0.000 0.948 629 E CA -0.596 55.442 56.400 -0.604 0.000 0.802 629 E CB 1.923 31.347 29.700 -0.461 0.000 1.137 629 E HN 0.735 nan 8.360 nan 0.000 0.397 630 Q N 1.365 121.018 119.800 -0.246 0.000 2.118 630 Q HA -0.163 4.251 4.340 0.123 0.000 0.211 630 Q C 1.371 177.285 176.000 -0.144 0.000 0.998 630 Q CA 2.391 58.083 55.803 -0.184 0.000 0.872 630 Q CB -0.164 28.471 28.738 -0.173 0.000 0.925 630 Q HN 0.466 nan 8.270 nan 0.000 0.414 631 T N -1.802 112.685 114.554 -0.111 0.000 3.243 631 T HA 0.371 4.795 4.350 0.123 0.000 0.264 631 T C 0.718 175.298 174.700 -0.198 0.000 1.000 631 T CA 0.577 62.618 62.100 -0.098 0.000 0.901 631 T CB -0.515 68.358 68.868 0.007 0.000 1.083 631 T HN 0.580 nan 8.240 nan 0.000 0.559 632 G N 1.101 109.775 108.800 -0.211 0.000 2.196 632 G HA2 -0.287 3.747 3.960 0.123 0.000 0.268 632 G HA3 -0.287 3.747 3.960 0.123 0.000 0.268 632 G C 0.115 174.881 174.900 -0.223 0.000 0.975 632 G CA 0.820 45.775 45.100 -0.241 0.000 0.648 632 G HN 0.684 nan 8.290 nan 0.000 0.538 633 H N 0.098 119.099 119.070 -0.115 0.000 2.767 633 H HA 0.386 5.016 4.556 0.123 0.000 0.380 633 H C 1.817 177.106 175.328 -0.064 0.000 1.409 633 H CA 1.008 56.999 56.048 -0.095 0.000 1.463 633 H CB 0.411 30.129 29.762 -0.074 0.000 1.514 633 H HN 0.406 nan 8.280 nan 0.000 0.619 634 K N -0.058 120.300 120.400 -0.070 0.000 2.404 634 K HA 0.074 4.468 4.320 0.123 0.000 0.194 634 K C -0.755 175.765 176.600 -0.133 0.000 1.023 634 K CA 0.407 56.608 56.287 -0.142 0.000 1.094 634 K CB 0.547 32.833 32.500 -0.356 0.000 0.841 634 K HN 0.320 nan 8.250 nan 0.000 0.523 635 Y N 0.652 121.129 120.300 0.295 0.000 2.587 635 Y HA 0.645 5.269 4.550 0.123 0.000 0.337 635 Y C -0.175 175.659 175.900 -0.110 0.000 1.065 635 Y CA -1.695 56.409 58.100 0.008 0.000 1.126 635 Y CB 1.629 40.090 38.460 0.001 0.000 1.279 635 Y HN -0.003 nan 8.280 nan 0.000 0.489 636 A N 0.741 123.320 122.820 -0.402 0.000 2.355 636 A HA 0.947 5.341 4.320 0.123 0.000 0.317 636 A C -1.259 175.820 177.584 -0.842 0.000 1.094 636 A CA -0.452 51.304 52.037 -0.469 0.000 0.764 636 A CB 0.863 19.546 19.000 -0.528 0.000 1.230 636 A HN 1.019 nan 8.150 nan 0.000 0.448 637 A N 1.372 123.837 122.820 -0.592 0.000 2.455 637 A HA 0.708 5.102 4.320 0.123 0.000 0.300 637 A C -1.349 176.156 177.584 -0.133 0.000 1.040 637 A CA -0.434 51.292 52.037 -0.518 0.000 0.697 637 A CB 1.535 20.139 19.000 -0.661 0.000 1.265 637 A HN 1.367 nan 8.150 nan 0.000 0.407 638 V N 2.072 122.081 119.914 0.158 0.000 2.525 638 V HA 0.543 4.737 4.120 0.123 0.000 0.299 638 V C 1.052 177.346 176.094 0.335 0.000 1.034 638 V CA 0.145 62.622 62.300 0.295 0.000 0.863 638 V CB 1.251 33.367 31.823 0.488 0.000 0.999 638 V HN 1.322 nan 8.190 nan 0.000 0.423 639 A N 3.596 126.570 122.820 0.255 0.000 1.872 639 A HA 0.144 4.538 4.320 0.123 0.000 0.214 639 A C 0.773 178.483 177.584 0.210 0.000 1.187 639 A CA 1.240 53.431 52.037 0.256 0.000 0.614 639 A CB 0.070 19.181 19.000 0.185 0.000 0.826 639 A HN 0.707 nan 8.150 nan 0.000 0.442 640 E N -1.465 118.849 120.200 0.191 0.000 2.372 640 E HA 0.590 5.014 4.350 0.123 0.000 0.279 640 E C -1.776 174.915 176.600 0.153 0.000 0.946 640 E CA -0.374 56.114 56.400 0.147 0.000 0.769 640 E CB 1.669 31.431 29.700 0.104 0.000 1.230 640 E HN 0.243 nan 8.360 nan 0.000 0.442 641 L N 1.674 122.957 121.223 0.100 0.000 2.381 641 L HA 0.444 4.858 4.340 0.123 0.000 0.274 641 L C -0.535 176.338 176.870 0.005 0.000 0.988 641 L CA -0.816 54.059 54.840 0.058 0.000 0.824 641 L CB 2.041 44.133 42.059 0.055 0.000 1.263 641 L HN 0.373 nan 8.230 nan 0.000 0.410 642 E N 1.931 122.107 120.200 -0.040 0.000 2.222 642 E HA 0.530 4.954 4.350 0.123 0.000 0.267 642 E C -1.384 175.166 176.600 -0.083 0.000 0.884 642 E CA -0.458 55.910 56.400 -0.053 0.000 0.764 642 E CB 2.414 32.081 29.700 -0.054 0.000 1.169 642 E HN 0.186 nan 8.360 nan 0.000 0.413 643 V N 3.994 123.867 119.914 -0.069 0.000 2.417 643 V HA 0.326 4.520 4.120 0.123 0.000 0.291 643 V C -0.247 175.796 176.094 -0.084 0.000 1.024 643 V CA -0.768 61.490 62.300 -0.070 0.000 0.861 643 V CB 1.527 33.324 31.823 -0.044 0.000 0.985 643 V HN 0.633 nan 8.190 nan 0.000 0.436 644 E N 3.252 123.388 120.200 -0.107 0.000 2.229 644 E HA 0.649 5.073 4.350 0.123 0.000 0.283 644 E C 0.411 176.953 176.600 -0.096 0.000 1.030 644 E CA 0.015 56.352 56.400 -0.106 0.000 0.836 644 E CB 1.727 31.340 29.700 -0.144 0.000 1.068 644 E HN 0.934 nan 8.360 nan 0.000 0.401 645 G N 2.211 110.974 108.800 -0.061 0.000 2.348 645 G HA2 0.167 4.201 3.960 0.123 0.000 0.296 645 G HA3 0.167 4.201 3.960 0.123 0.000 0.296 645 G C -1.588 173.312 174.900 0.000 0.000 1.258 645 G CA -0.794 44.289 45.100 -0.028 0.000 0.868 645 G HN 0.302 nan 8.290 nan 0.000 0.488 646 Q N 0.785 120.616 119.800 0.053 0.000 2.307 646 Q HA 0.604 5.018 4.340 0.123 0.000 0.262 646 Q C 0.622 176.730 176.000 0.181 0.000 0.961 646 Q CA -0.406 55.444 55.803 0.079 0.000 0.882 646 Q CB 1.648 30.425 28.738 0.065 0.000 1.264 646 Q HN 0.514 nan 8.270 nan 0.000 0.446 647 R N 0.000 120.567 120.500 0.111 0.000 2.786 647 R HA 0.000 4.414 4.340 0.123 0.000 0.208 647 R CA 0.000 56.185 56.100 0.142 0.000 0.921 647 R CB 0.000 30.333 30.300 0.055 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535