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 1euu_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 4.071 3.960 0.184 0.000 0.244 47 G C 0.000 174.963 174.900 0.106 0.000 0.946 47 G CA 0.000 45.156 45.100 0.093 0.000 0.502 48 E N 2.010 122.270 120.200 0.101 0.000 2.344 48 E HA 0.343 4.803 4.350 0.184 0.000 0.270 48 E C -2.229 174.463 176.600 0.154 0.000 1.021 48 E CA -1.262 55.205 56.400 0.112 0.000 0.887 48 E CB 0.933 30.689 29.700 0.094 0.000 0.997 48 E HN 0.044 nan 8.360 nan 0.000 0.429 49 P HA 0.077 nan 4.420 nan 0.000 0.268 49 P C -0.690 176.788 177.300 0.297 0.000 1.204 49 P CA -0.143 63.130 63.100 0.289 0.000 0.768 49 P CB 0.415 32.291 31.700 0.293 0.000 0.842 50 L N 5.060 126.483 121.223 0.334 0.000 2.408 50 L HA 0.720 5.171 4.340 0.184 0.000 0.268 50 L C -1.825 175.092 176.870 0.077 0.000 0.986 50 L CA -0.737 54.221 54.840 0.196 0.000 0.820 50 L CB 1.615 43.743 42.059 0.116 0.000 1.303 50 L HN 0.322 nan 8.230 nan 0.000 0.411 51 Y N 3.275 123.477 120.300 -0.164 0.000 2.264 51 Y HA 0.528 5.173 4.550 0.158 0.000 0.321 51 Y C -1.330 174.460 175.900 -0.183 0.000 1.199 51 Y CA -0.290 57.566 58.100 -0.406 0.000 1.175 51 Y CB 1.344 39.216 38.460 -0.980 0.000 1.213 51 Y HN 0.770 nan 8.280 nan 0.000 0.414 52 T N 5.359 119.622 114.554 -0.484 0.000 2.900 52 T HA 0.740 5.201 4.350 0.184 0.000 0.295 52 T C -1.471 172.994 174.700 -0.392 0.000 1.044 52 T CA -0.393 61.560 62.100 -0.244 0.000 0.995 52 T CB 1.403 70.200 68.868 -0.118 0.000 1.072 52 T HN 0.729 nan 8.240 nan 0.000 0.473 53 E N 2.301 122.399 120.200 -0.168 0.000 2.429 53 E HA 0.680 5.140 4.350 0.184 0.000 0.276 53 E C -1.562 175.012 176.600 -0.042 0.000 0.953 53 E CA -1.137 55.173 56.400 -0.150 0.000 0.787 53 E CB 2.088 31.753 29.700 -0.058 0.000 1.307 53 E HN 0.707 nan 8.360 nan 0.000 0.458 54 Q N 0.512 120.286 119.800 -0.043 0.000 2.479 54 Q HA 0.345 4.796 4.340 0.184 0.000 0.276 54 Q C -1.742 174.199 176.000 -0.099 0.000 0.989 54 Q CA -0.971 54.819 55.803 -0.021 0.000 0.864 54 Q CB 1.660 30.432 28.738 0.056 0.000 1.444 54 Q HN 0.426 nan 8.270 nan 0.000 0.388 55 D N 2.488 122.812 120.400 -0.127 0.000 2.256 55 D HA 0.235 4.986 4.640 0.184 0.000 0.250 55 D C 0.636 176.773 176.300 -0.271 0.000 1.093 55 D CA -0.169 53.702 54.000 -0.214 0.000 0.882 55 D CB 1.791 42.481 40.800 -0.182 0.000 1.185 55 D HN 0.535 nan 8.370 nan 0.000 0.437 56 L N 0.411 121.388 121.223 -0.409 0.000 2.357 56 L HA 0.228 4.679 4.340 0.184 0.000 0.211 56 L C 0.901 177.466 176.870 -0.508 0.000 1.075 56 L CA 0.387 54.936 54.840 -0.485 0.000 0.830 56 L CB 0.166 41.830 42.059 -0.659 0.000 0.996 56 L HN 0.299 nan 8.230 nan 0.000 0.467 57 A N 0.223 122.658 122.820 -0.643 0.000 2.398 57 A HA 0.676 5.107 4.320 0.184 0.000 0.301 57 A C -1.100 176.210 177.584 -0.457 0.000 1.041 57 A CA -0.324 51.219 52.037 -0.823 0.000 0.711 57 A CB 1.825 19.894 19.000 -1.552 0.000 1.240 57 A HN -0.140 nan 8.150 nan 0.000 0.420 58 V N 3.095 122.875 119.914 -0.224 0.000 2.483 58 V HA 0.278 4.509 4.120 0.184 0.000 0.297 58 V C -0.406 175.828 176.094 0.233 0.000 1.027 58 V CA -1.225 61.072 62.300 -0.005 0.000 0.855 58 V CB 1.641 33.459 31.823 -0.009 0.000 0.995 58 V HN 0.873 nan 8.190 nan 0.000 0.424 59 N N 3.514 122.354 118.700 0.233 0.000 2.365 59 N HA 0.213 5.063 4.740 0.184 0.000 0.265 59 N C 1.277 176.860 175.510 0.122 0.000 1.288 59 N CA 1.568 54.736 53.050 0.196 0.000 0.869 59 N CB 0.924 39.457 38.487 0.076 0.000 1.071 59 N HN 1.198 nan 8.380 nan 0.000 0.480 60 G N 1.498 110.357 108.800 0.098 0.000 2.254 60 G HA2 -0.277 3.794 3.960 0.184 0.000 0.225 60 G HA3 -0.277 3.794 3.960 0.184 0.000 0.225 60 G C 0.173 175.136 174.900 0.105 0.000 1.003 60 G CA -0.172 44.966 45.100 0.064 0.000 0.622 60 G HN 0.555 nan 8.290 nan 0.000 0.507 61 R N 0.049 120.663 120.500 0.189 0.000 2.643 61 R HA 0.697 5.148 4.340 0.184 0.000 0.272 61 R C 0.692 177.154 176.300 0.270 0.000 0.995 61 R CA -0.268 55.935 56.100 0.171 0.000 1.032 61 R CB 0.644 31.012 30.300 0.113 0.000 1.126 61 R HN 0.122 nan 8.270 nan 0.000 0.505 62 E N 0.256 120.566 120.200 0.184 0.000 2.791 62 E HA -0.205 4.255 4.350 0.184 0.000 0.271 62 E C 0.573 177.338 176.600 0.275 0.000 1.044 62 E CA 1.606 58.135 56.400 0.215 0.000 0.814 62 E CB -1.527 28.300 29.700 0.212 0.000 1.400 62 E HN 0.982 nan 8.360 nan 0.000 0.423 63 G N -2.525 106.364 108.800 0.147 0.000 2.195 63 G HA2 -0.248 3.823 3.960 0.184 0.000 0.224 63 G HA3 -0.248 3.823 3.960 0.184 0.000 0.224 63 G C 0.028 174.728 174.900 -0.334 0.000 0.990 63 G CA -0.148 44.913 45.100 -0.064 0.000 0.639 63 G HN 0.229 nan 8.290 nan 0.000 0.514 64 F N 0.370 120.263 119.950 -0.095 0.000 2.578 64 F HA 0.570 5.208 4.527 0.185 0.000 0.311 64 F C -1.415 174.165 175.800 -0.366 0.000 1.094 64 F CA -1.672 56.137 58.000 -0.318 0.000 0.923 64 F CB 2.338 40.962 39.000 -0.626 0.000 1.230 64 F HN -0.174 nan 8.300 nan 0.000 0.450 65 P HA -0.049 nan 4.420 nan 0.000 0.222 65 P C -0.370 176.856 177.300 -0.123 0.000 1.153 65 P CA 1.038 64.091 63.100 -0.079 0.000 0.798 65 P CB 0.560 32.230 31.700 -0.050 0.000 0.796 66 N N -1.301 117.275 118.700 -0.207 0.000 2.260 66 N HA 0.348 5.199 4.740 0.184 0.000 0.293 66 N C -1.970 173.335 175.510 -0.340 0.000 1.058 66 N CA -0.603 52.331 53.050 -0.193 0.000 0.824 66 N CB 1.124 39.550 38.487 -0.101 0.000 1.551 66 N HN -0.279 nan 8.380 nan 0.000 0.475 67 Y N 1.683 121.958 120.300 -0.041 0.000 2.361 67 Y HA 0.633 5.295 4.550 0.185 0.000 0.337 67 Y C 0.366 176.207 175.900 -0.099 0.000 0.965 67 Y CA -0.554 57.505 58.100 -0.069 0.000 1.091 67 Y CB 1.698 40.082 38.460 -0.127 0.000 1.182 67 Y HN 0.322 nan 8.280 nan 0.000 0.450 68 R N 1.720 122.265 120.500 0.075 0.000 2.762 68 R HA 0.542 4.992 4.340 0.184 0.000 0.271 68 R C -1.405 174.896 176.300 0.001 0.000 1.038 68 R CA -1.189 54.893 56.100 -0.030 0.000 0.906 68 R CB 1.833 32.065 30.300 -0.114 0.000 1.259 68 R HN 0.587 nan 8.270 nan 0.000 0.457 69 I N 0.725 121.255 120.570 -0.067 0.000 7.772 69 I HA -0.144 4.137 4.170 0.184 0.000 0.126 69 I C -2.314 173.884 176.117 0.137 0.000 1.801 69 I CA -0.100 61.231 61.300 0.052 0.000 2.133 69 I CB -1.885 36.151 38.000 0.060 0.000 3.629 69 I HN 0.477 nan 8.210 nan 0.000 0.198 70 P HA 0.486 nan 4.420 nan 0.000 0.274 70 P C -0.423 176.975 177.300 0.164 0.000 1.231 70 P CA -0.156 63.041 63.100 0.160 0.000 0.790 70 P CB 2.038 33.821 31.700 0.138 0.000 0.951 71 A N 3.490 126.417 122.820 0.180 0.000 2.429 71 A HA 0.587 5.017 4.320 0.184 0.000 0.289 71 A C -1.329 176.496 177.584 0.402 0.000 1.043 71 A CA -0.622 51.547 52.037 0.221 0.000 0.722 71 A CB 1.025 20.060 19.000 0.058 0.000 1.243 71 A HN 0.536 nan 8.150 nan 0.000 0.415 72 L N 1.600 123.045 121.223 0.369 0.000 2.354 72 L HA 0.884 5.335 4.340 0.184 0.000 0.269 72 L C -0.116 176.859 176.870 0.176 0.000 1.005 72 L CA -0.255 54.757 54.840 0.287 0.000 0.819 72 L CB 2.422 44.614 42.059 0.222 0.000 1.311 72 L HN 0.877 nan 8.230 nan 0.000 0.423 73 T N 1.659 116.193 114.554 -0.033 0.000 2.739 73 T HA 0.602 5.062 4.350 0.184 0.000 0.303 73 T C -1.701 172.927 174.700 -0.119 0.000 1.389 73 T CA -0.335 61.690 62.100 -0.126 0.000 1.001 73 T CB 1.785 70.452 68.868 -0.335 0.000 1.436 73 T HN 0.347 nan 8.240 nan 0.000 0.500 74 V N 1.428 121.287 119.914 -0.091 0.000 2.525 74 V HA 0.731 4.962 4.120 0.184 0.000 0.299 74 V C 0.558 176.602 176.094 -0.085 0.000 1.034 74 V CA -0.793 61.455 62.300 -0.086 0.000 0.863 74 V CB 0.541 32.330 31.823 -0.056 0.000 0.999 74 V HN 1.102 nan 8.190 nan 0.000 0.423 75 T N 1.767 116.260 114.554 -0.103 0.000 2.813 75 T HA 0.356 4.817 4.350 0.184 0.000 0.297 75 T C -1.451 173.208 174.700 -0.069 0.000 1.036 75 T CA -1.081 60.966 62.100 -0.088 0.000 1.044 75 T CB 1.056 69.863 68.868 -0.102 0.000 0.993 75 T HN 0.498 nan 8.240 nan 0.000 0.535 76 P HA -0.025 nan 4.420 nan 0.000 0.221 76 P C 0.556 177.823 177.300 -0.055 0.000 1.145 76 P CA 0.888 63.959 63.100 -0.048 0.000 0.795 76 P CB -0.017 31.655 31.700 -0.047 0.000 0.775 77 D N -2.179 118.179 120.400 -0.069 0.000 2.340 77 D HA 0.155 4.905 4.640 0.184 0.000 0.220 77 D C 1.574 177.827 176.300 -0.077 0.000 1.039 77 D CA 0.895 54.852 54.000 -0.071 0.000 0.866 77 D CB -0.492 40.261 40.800 -0.078 0.000 0.913 77 D HN 0.114 nan 8.370 nan 0.000 0.523 78 G N 0.637 109.388 108.800 -0.080 0.000 2.175 78 G HA2 -0.240 3.830 3.960 0.184 0.000 0.244 78 G HA3 -0.240 3.830 3.960 0.184 0.000 0.244 78 G C -0.142 174.684 174.900 -0.122 0.000 0.982 78 G CA -0.264 44.781 45.100 -0.091 0.000 0.641 78 G HN 0.228 nan 8.290 nan 0.000 0.527 79 D N 0.122 120.443 120.400 -0.131 0.000 2.345 79 D HA 0.528 5.278 4.640 0.184 0.000 0.247 79 D C 0.536 176.727 176.300 -0.183 0.000 1.108 79 D CA -0.043 53.854 54.000 -0.171 0.000 0.894 79 D CB 1.220 41.932 40.800 -0.146 0.000 1.203 79 D HN 0.134 nan 8.370 nan 0.000 0.430 80 L N 2.103 123.165 121.223 -0.268 0.000 2.307 80 L HA 0.413 4.863 4.340 0.184 0.000 0.282 80 L C -0.353 176.439 176.870 -0.130 0.000 1.051 80 L CA -0.289 54.416 54.840 -0.225 0.000 0.804 80 L CB 0.963 42.814 42.059 -0.347 0.000 1.197 80 L HN 0.169 nan 8.230 nan 0.000 0.431 81 L N 3.282 124.496 121.223 -0.016 0.000 2.381 81 L HA 0.785 5.236 4.340 0.184 0.000 0.274 81 L C -0.521 176.488 176.870 0.230 0.000 0.988 81 L CA -0.664 54.227 54.840 0.084 0.000 0.824 81 L CB 1.872 43.840 42.059 -0.152 0.000 1.263 81 L HN 0.687 nan 8.230 nan 0.000 0.410 82 A N 2.382 125.440 122.820 0.396 0.000 2.330 82 A HA 0.727 5.158 4.320 0.184 0.000 0.313 82 A C -0.628 177.143 177.584 0.312 0.000 1.124 82 A CA -0.383 51.841 52.037 0.312 0.000 0.774 82 A CB 1.808 20.795 19.000 -0.022 0.000 1.198 82 A HN 0.544 nan 8.150 nan 0.000 0.465 83 S N 1.148 117.037 115.700 0.316 0.000 2.536 83 S HA 0.919 5.499 4.470 0.184 0.000 0.298 83 S C -1.178 173.452 174.600 0.050 0.000 1.083 83 S CA -0.400 57.792 58.200 -0.014 0.000 0.995 83 S CB 0.822 63.874 63.200 -0.247 0.000 1.058 83 S HN 1.153 nan 8.310 nan 0.000 0.488 84 Y N -0.308 119.936 120.300 -0.093 0.000 2.656 84 Y HA 0.594 5.255 4.550 0.185 0.000 0.334 84 Y C -1.152 174.682 175.900 -0.110 0.000 1.179 84 Y CA -1.448 56.601 58.100 -0.084 0.000 1.050 84 Y CB -0.005 38.406 38.460 -0.082 0.000 1.308 84 Y HN 0.335 nan 8.280 nan 0.000 0.456 85 D N 0.508 120.938 120.400 0.051 0.000 2.339 85 D HA 0.485 5.236 4.640 0.184 0.000 0.245 85 D C -0.165 176.080 176.300 -0.091 0.000 1.115 85 D CA 0.281 54.237 54.000 -0.072 0.000 0.917 85 D CB 1.526 42.293 40.800 -0.056 0.000 1.192 85 D HN 0.963 nan 8.370 nan 0.000 0.428 86 G N 1.006 109.564 108.800 -0.403 0.000 2.588 86 G HA2 0.405 4.475 3.960 0.184 0.000 0.312 86 G HA3 0.405 4.475 3.960 0.184 0.000 0.312 86 G C -0.396 174.159 174.900 -0.575 0.000 1.257 86 G CA -0.754 43.741 45.100 -1.009 0.000 0.994 86 G HN 0.196 nan 8.290 nan 0.000 0.498 87 R N 4.299 124.647 120.500 -0.254 0.000 2.287 87 R HA 0.219 4.670 4.340 0.184 0.000 0.327 87 R C -1.560 174.794 176.300 0.091 0.000 1.109 87 R CA -1.672 54.405 56.100 -0.038 0.000 1.013 87 R CB 1.961 32.218 30.300 -0.071 0.000 1.126 87 R HN 0.369 nan 8.270 nan 0.000 0.503 88 P HA -0.159 nan 4.420 nan 0.000 0.222 88 P C 0.686 177.999 177.300 0.022 0.000 1.147 88 P CA 1.337 64.505 63.100 0.114 0.000 0.790 88 P CB 0.379 32.130 31.700 0.085 0.000 0.780 89 T N -6.453 108.109 114.554 0.014 0.000 3.044 89 T HA 0.416 4.877 4.350 0.184 0.000 0.260 89 T C 1.429 176.116 174.700 -0.021 0.000 1.019 89 T CA 0.435 62.529 62.100 -0.010 0.000 0.921 89 T CB -0.500 68.361 68.868 -0.012 0.000 1.053 89 T HN 0.181 nan 8.240 nan 0.000 0.533 90 G N 1.135 109.920 108.800 -0.026 0.000 2.179 90 G HA2 -0.197 3.873 3.960 0.184 0.000 0.257 90 G HA3 -0.197 3.873 3.960 0.184 0.000 0.257 90 G C -0.205 174.668 174.900 -0.046 0.000 1.010 90 G CA 0.401 45.476 45.100 -0.041 0.000 0.736 90 G HN 0.610 nan 8.290 nan 0.000 0.513 91 I N 0.375 120.919 120.570 -0.043 0.000 3.002 91 I HA 0.475 4.756 4.170 0.184 0.000 0.310 91 I C 0.238 176.322 176.117 -0.055 0.000 1.087 91 I CA -1.044 60.228 61.300 -0.048 0.000 1.017 91 I CB 1.571 39.547 38.000 -0.039 0.000 1.226 91 I HN 0.086 nan 8.210 nan 0.000 0.443 92 D N 2.028 122.391 120.400 -0.062 0.000 2.376 92 D HA 0.350 5.101 4.640 0.184 0.000 0.281 92 D C -0.007 176.252 176.300 -0.069 0.000 1.215 92 D CA -0.467 53.491 54.000 -0.071 0.000 1.062 92 D CB -0.060 40.687 40.800 -0.089 0.000 1.124 92 D HN 0.539 nan 8.370 nan 0.000 0.550 93 A N 0.936 123.708 122.820 -0.080 0.000 2.520 93 A HA 0.170 4.601 4.320 0.184 0.000 0.235 93 A C -1.223 176.317 177.584 -0.074 0.000 1.065 93 A CA -0.650 51.336 52.037 -0.084 0.000 0.764 93 A CB -0.183 18.764 19.000 -0.088 0.000 1.002 93 A HN 0.410 nan 8.150 nan 0.000 0.502 94 P HA -0.014 nan 4.420 nan 0.000 0.237 94 P C 0.896 178.148 177.300 -0.080 0.000 1.178 94 P CA 0.800 63.846 63.100 -0.090 0.000 0.766 94 P CB -0.337 31.314 31.700 -0.081 0.000 0.876 95 G N 3.398 112.160 108.800 -0.063 0.000 2.368 95 G HA2 -0.015 4.055 3.960 0.184 0.000 0.233 95 G HA3 -0.015 4.055 3.960 0.184 0.000 0.233 95 G C -1.672 173.203 174.900 -0.042 0.000 1.267 95 G CA -0.640 44.433 45.100 -0.045 0.000 0.873 95 G HN 0.166 nan 8.290 nan 0.000 0.539 96 P HA -0.008 nan 4.420 nan 0.000 0.251 96 P C -0.394 176.940 177.300 0.055 0.000 1.624 96 P CA -0.192 62.917 63.100 0.016 0.000 0.907 96 P CB -0.145 31.572 31.700 0.029 0.000 1.867 97 N N 0.319 119.032 118.700 0.021 0.000 2.483 97 N HA 0.241 5.091 4.740 0.184 0.000 0.269 97 N C 0.213 175.766 175.510 0.072 0.000 1.209 97 N CA 0.010 53.075 53.050 0.025 0.000 0.969 97 N CB 0.615 39.084 38.487 -0.030 0.000 1.173 97 N HN 0.097 nan 8.380 nan 0.000 0.475 98 S N 0.420 116.119 115.700 -0.002 0.000 2.568 98 S HA 0.535 5.116 4.470 0.184 0.000 0.293 98 S C -0.302 174.191 174.600 -0.178 0.000 1.089 98 S CA -0.728 57.460 58.200 -0.020 0.000 0.945 98 S CB 1.389 64.606 63.200 0.029 0.000 1.077 98 S HN 0.271 nan 8.310 nan 0.000 0.485 99 I N 3.283 123.713 120.570 -0.234 0.000 2.304 99 I HA 0.350 4.630 4.170 0.184 0.000 0.291 99 I C -0.206 175.687 176.117 -0.373 0.000 1.018 99 I CA -0.158 60.933 61.300 -0.349 0.000 1.260 99 I CB 0.130 37.828 38.000 -0.502 0.000 1.390 99 I HN 0.469 nan 8.210 nan 0.000 0.475 100 L N 5.662 126.606 121.223 -0.466 0.000 2.376 100 L HA 0.609 5.060 4.340 0.184 0.000 0.267 100 L C -0.034 176.527 176.870 -0.516 0.000 1.035 100 L CA -0.708 53.830 54.840 -0.504 0.000 0.800 100 L CB 1.162 42.809 42.059 -0.687 0.000 1.290 100 L HN 0.514 nan 8.230 nan 0.000 0.462 101 Q N 0.664 120.258 119.800 -0.344 0.000 2.403 101 Q HA 0.396 4.846 4.340 0.184 0.000 0.267 101 Q C -1.761 174.254 176.000 0.025 0.000 0.991 101 Q CA -0.766 54.963 55.803 -0.124 0.000 0.906 101 Q CB 2.308 31.062 28.738 0.027 0.000 1.422 101 Q HN 0.505 nan 8.270 nan 0.000 0.400 102 R N 2.348 122.943 120.500 0.157 0.000 2.670 102 R HA 0.560 5.010 4.340 0.184 0.000 0.289 102 R C -0.910 175.651 176.300 0.434 0.000 0.965 102 R CA -0.755 55.514 56.100 0.281 0.000 0.899 102 R CB 2.377 32.845 30.300 0.279 0.000 1.173 102 R HN 0.637 nan 8.270 nan 0.000 0.456 103 R N 0.624 121.322 120.500 0.330 0.000 2.599 103 R HA 0.351 4.801 4.340 0.184 0.000 0.295 103 R C -1.202 174.983 176.300 -0.192 0.000 0.963 103 R CA -0.251 55.916 56.100 0.112 0.000 0.883 103 R CB 1.972 32.297 30.300 0.042 0.000 1.171 103 R HN 0.547 nan 8.270 nan 0.000 0.450 104 S N 1.496 116.803 115.700 -0.655 0.000 2.498 104 S HA 0.200 4.781 4.470 0.184 0.000 0.317 104 S C 0.520 174.809 174.600 -0.518 0.000 1.090 104 S CA -0.565 57.090 58.200 -0.909 0.000 1.089 104 S CB 1.334 63.452 63.200 -1.804 0.000 0.997 104 S HN 0.720 nan 8.310 nan 0.000 0.470 105 T N 0.151 114.496 114.554 -0.349 0.000 3.069 105 T HA 0.158 4.619 4.350 0.184 0.000 0.252 105 T C 0.257 174.831 174.700 -0.209 0.000 1.053 105 T CA 0.064 62.025 62.100 -0.233 0.000 0.964 105 T CB -0.209 68.565 68.868 -0.157 0.000 1.005 105 T HN 0.626 nan 8.240 nan 0.000 0.532 106 D N 0.423 120.673 120.400 -0.251 0.000 2.891 106 D HA 0.335 5.086 4.640 0.184 0.000 0.312 106 D C 1.318 177.503 176.300 -0.193 0.000 1.354 106 D CA -0.340 53.548 54.000 -0.186 0.000 0.838 106 D CB -0.272 40.440 40.800 -0.146 0.000 1.117 106 D HN 0.351 nan 8.370 nan 0.000 0.473 107 G N -0.457 108.206 108.800 -0.227 0.000 2.184 107 G HA2 -0.128 3.943 3.960 0.184 0.000 0.264 107 G HA3 -0.128 3.943 3.960 0.184 0.000 0.264 107 G C 1.120 175.902 174.900 -0.197 0.000 0.975 107 G CA 0.359 45.348 45.100 -0.185 0.000 0.642 107 G HN 1.533 nan 8.290 nan 0.000 0.536 108 G N -1.353 107.219 108.800 -0.379 0.000 2.192 108 G HA2 -0.180 3.890 3.960 0.184 0.000 0.193 108 G HA3 -0.180 3.890 3.960 0.184 0.000 0.193 108 G C 1.005 175.864 174.900 -0.068 0.000 0.999 108 G CA 0.917 45.792 45.100 -0.374 0.000 0.659 108 G HN 0.859 nan 8.290 nan 0.000 0.503 109 R N -0.205 120.230 120.500 -0.109 0.000 2.057 109 R HA 0.152 4.602 4.340 0.184 0.000 0.229 109 R C 0.825 177.150 176.300 0.041 0.000 1.136 109 R CA 1.473 57.582 56.100 0.015 0.000 0.952 109 R CB -0.151 30.138 30.300 -0.019 0.000 0.848 109 R HN 0.307 nan 8.270 nan 0.000 0.430 110 T N -0.143 114.351 114.554 -0.100 0.000 2.885 110 T HA 0.378 4.838 4.350 0.184 0.000 0.285 110 T C -1.656 172.940 174.700 -0.173 0.000 1.019 110 T CA -0.462 61.623 62.100 -0.025 0.000 1.010 110 T CB 1.189 70.034 68.868 -0.037 0.000 1.022 110 T HN 0.092 nan 8.240 nan 0.000 0.466 111 W N 1.176 122.453 121.300 -0.039 0.000 2.785 111 W HA 0.628 5.395 4.660 0.179 0.000 0.333 111 W C 0.635 177.139 176.519 -0.025 0.000 1.062 111 W CA -0.701 56.615 57.345 -0.048 0.000 1.233 111 W CB 1.212 30.636 29.460 -0.060 0.000 1.413 111 W HN 0.886 nan 8.180 nan 0.000 0.489 112 G N 0.992 109.901 108.800 0.181 0.000 2.570 112 G HA2 0.246 4.316 3.960 0.184 0.000 0.276 112 G HA3 0.246 4.316 3.960 0.184 0.000 0.276 112 G C -0.536 174.448 174.900 0.140 0.000 1.346 112 G CA -0.379 44.793 45.100 0.119 0.000 1.034 112 G HN 0.385 nan 8.290 nan 0.000 0.512 113 E N -0.762 119.497 120.200 0.098 0.000 2.390 113 E HA 0.125 4.586 4.350 0.184 0.000 0.261 113 E C 0.397 177.058 176.600 0.101 0.000 1.076 113 E CA -0.160 56.296 56.400 0.093 0.000 0.905 113 E CB 0.695 30.438 29.700 0.071 0.000 0.984 113 E HN 0.379 nan 8.360 nan 0.000 0.427 114 Q N 3.053 122.913 119.800 0.099 0.000 2.276 114 Q HA 0.004 4.455 4.340 0.184 0.000 0.267 114 Q C -0.734 175.308 176.000 0.070 0.000 1.135 114 Q CA -0.141 55.715 55.803 0.088 0.000 0.910 114 Q CB 0.294 29.107 28.738 0.124 0.000 1.271 114 Q HN 0.374 nan 8.270 nan 0.000 0.417 115 Q N 2.014 121.840 119.800 0.043 0.000 2.241 115 Q HA 0.461 4.912 4.340 0.184 0.000 0.262 115 Q C -0.751 175.247 176.000 -0.005 0.000 1.014 115 Q CA -0.792 55.038 55.803 0.045 0.000 0.885 115 Q CB 1.962 30.744 28.738 0.074 0.000 1.311 115 Q HN 0.426 nan 8.270 nan 0.000 0.461 116 V N 1.329 121.246 119.914 0.005 0.000 2.427 116 V HA 0.163 4.394 4.120 0.184 0.000 0.286 116 V C 0.875 176.918 176.094 -0.085 0.000 1.034 116 V CA -0.203 62.066 62.300 -0.052 0.000 0.893 116 V CB 1.525 33.339 31.823 -0.015 0.000 0.982 116 V HN 0.656 nan 8.190 nan 0.000 0.452 117 V N 2.848 122.629 119.914 -0.221 0.000 2.922 117 V HA 0.165 4.395 4.120 0.184 0.000 0.242 117 V C 0.627 176.542 176.094 -0.298 0.000 1.094 117 V CA 0.929 63.013 62.300 -0.360 0.000 1.106 117 V CB 0.934 32.375 31.823 -0.637 0.000 0.799 117 V HN 0.841 nan 8.190 nan 0.000 0.474 118 S N 0.298 115.744 115.700 -0.423 0.000 2.720 118 S HA 0.732 5.313 4.470 0.184 0.000 0.278 118 S C -0.429 173.866 174.600 -0.509 0.000 1.172 118 S CA -0.348 57.420 58.200 -0.720 0.000 1.019 118 S CB 1.627 64.180 63.200 -1.078 0.000 1.049 118 S HN 0.416 nan 8.310 nan 0.000 0.483 119 A N 2.432 125.016 122.820 -0.393 0.000 2.290 119 A HA 0.809 5.239 4.320 0.184 0.000 0.310 119 A C 0.590 178.254 177.584 0.133 0.000 1.202 119 A CA -0.463 51.523 52.037 -0.084 0.000 0.837 119 A CB 0.383 19.355 19.000 -0.047 0.000 1.139 119 A HN 0.864 nan 8.150 nan 0.000 0.509 120 G N 0.576 109.535 108.800 0.265 0.000 2.425 120 G HA2 0.500 4.571 3.960 0.184 0.000 0.302 120 G HA3 0.500 4.571 3.960 0.184 0.000 0.302 120 G C -0.364 174.641 174.900 0.174 0.000 1.159 120 G CA -0.417 44.870 45.100 0.312 0.000 0.865 120 G HN 0.830 nan 8.290 nan 0.000 0.515 121 Q N -0.198 119.689 119.800 0.145 0.000 2.314 121 Q HA 0.317 4.767 4.340 0.184 0.000 0.259 121 Q C 1.312 177.347 176.000 0.059 0.000 0.951 121 Q CA -0.381 55.477 55.803 0.091 0.000 0.909 121 Q CB 0.970 29.763 28.738 0.091 0.000 1.236 121 Q HN 0.630 nan 8.270 nan 0.000 0.444 122 T N -0.907 113.672 114.554 0.041 0.000 3.014 122 T HA -0.014 4.446 4.350 0.184 0.000 0.263 122 T C 0.998 175.706 174.700 0.012 0.000 1.078 122 T CA 0.789 62.902 62.100 0.022 0.000 1.135 122 T CB -0.220 68.653 68.868 0.008 0.000 0.895 122 T HN 0.667 nan 8.240 nan 0.000 0.480 123 T N 0.724 115.287 114.554 0.015 0.000 2.899 123 T HA 0.693 5.154 4.350 0.184 0.000 0.284 123 T C 0.260 174.969 174.700 0.015 0.000 1.004 123 T CA -0.648 61.459 62.100 0.011 0.000 1.043 123 T CB 1.116 69.990 68.868 0.010 0.000 1.013 123 T HN 0.451 nan 8.240 nan 0.000 0.518 124 A N 3.532 126.359 122.820 0.011 0.000 2.488 124 A HA 0.519 4.950 4.320 0.184 0.000 0.249 124 A C -1.590 176.006 177.584 0.020 0.000 1.083 124 A CA -1.159 50.885 52.037 0.012 0.000 0.768 124 A CB -0.790 18.214 19.000 0.007 0.000 1.017 124 A HN 0.834 nan 8.150 nan 0.000 0.496 125 P HA 0.385 nan 4.420 nan 0.000 0.292 125 P C -0.590 176.729 177.300 0.032 0.000 1.287 125 P CA -0.353 62.763 63.100 0.025 0.000 0.800 125 P CB 0.722 32.440 31.700 0.030 0.000 0.945 126 I N 3.230 123.810 120.570 0.016 0.000 2.662 126 I HA -0.018 4.262 4.170 0.184 0.000 0.285 126 I C 1.061 177.182 176.117 0.007 0.000 1.161 126 I CA 0.956 62.262 61.300 0.010 0.000 1.415 126 I CB -0.012 37.982 38.000 -0.010 0.000 1.385 126 I HN 0.173 nan 8.210 nan 0.000 0.552 127 K N 4.419 124.839 120.400 0.033 0.000 2.371 127 K HA 0.756 5.187 4.320 0.184 0.000 0.251 127 K C -0.351 176.219 176.600 -0.050 0.000 0.934 127 K CA -0.727 55.583 56.287 0.038 0.000 0.798 127 K CB 2.252 34.876 32.500 0.208 0.000 1.204 127 K HN 0.711 nan 8.250 nan 0.000 0.427 128 G N 1.583 110.215 108.800 -0.279 0.000 2.660 128 G HA2 0.721 4.792 3.960 0.184 0.000 0.294 128 G HA3 0.721 4.792 3.960 0.184 0.000 0.294 128 G C -1.729 172.706 174.900 -0.775 0.000 1.369 128 G CA -0.525 44.390 45.100 -0.308 0.000 0.912 128 G HN 0.334 nan 8.290 nan 0.000 0.479 129 F N 0.526 120.486 119.950 0.016 0.000 2.536 129 F HA 0.715 5.352 4.527 0.184 0.000 0.322 129 F C 0.387 176.138 175.800 -0.082 0.000 1.144 129 F CA -0.582 57.395 58.000 -0.038 0.000 0.924 129 F CB 2.755 41.622 39.000 -0.223 0.000 1.181 129 F HN 0.412 nan 8.300 nan 0.000 0.438 130 S N 0.850 116.588 115.700 0.065 0.000 2.627 130 S HA 0.535 5.115 4.470 0.184 0.000 0.283 130 S C -1.727 172.931 174.600 0.096 0.000 1.127 130 S CA -0.907 57.316 58.200 0.038 0.000 0.863 130 S CB 1.679 64.878 63.200 -0.002 0.000 1.121 130 S HN 0.658 nan 8.310 nan 0.000 0.479 131 D N 1.728 122.167 120.400 0.066 0.000 3.357 131 D HA -0.090 4.661 4.640 0.184 0.000 0.238 131 D C -2.619 173.737 176.300 0.094 0.000 1.126 131 D CA 0.563 54.623 54.000 0.101 0.000 0.984 131 D CB -0.573 40.327 40.800 0.167 0.000 0.925 131 D HN 0.153 nan 8.370 nan 0.000 0.414 132 P HA 0.346 nan 4.420 nan 0.000 0.281 132 P C -0.674 176.603 177.300 -0.038 0.000 1.249 132 P CA -0.479 62.613 63.100 -0.013 0.000 0.810 132 P CB 1.920 33.521 31.700 -0.166 0.000 1.008 133 S N 1.631 117.311 115.700 -0.034 0.000 2.720 133 S HA 0.469 5.050 4.470 0.184 0.000 0.278 133 S C -1.379 173.307 174.600 0.144 0.000 1.172 133 S CA -0.510 57.703 58.200 0.021 0.000 1.019 133 S CB 0.052 63.233 63.200 -0.032 0.000 1.049 133 S HN 0.173 nan 8.310 nan 0.000 0.483 134 Y N 3.264 123.686 120.300 0.203 0.000 2.301 134 Y HA 0.719 5.379 4.550 0.184 0.000 0.325 134 Y C 0.071 176.155 175.900 0.307 0.000 1.203 134 Y CA -0.803 57.458 58.100 0.270 0.000 1.255 134 Y CB 1.164 39.753 38.460 0.215 0.000 1.232 134 Y HN 0.543 nan 8.280 nan 0.000 0.501 135 L N 3.235 124.838 121.223 0.634 0.000 2.516 135 L HA 0.561 5.012 4.340 0.184 0.000 0.267 135 L C -1.746 175.492 176.870 0.613 0.000 0.957 135 L CA -0.968 54.210 54.840 0.562 0.000 0.860 135 L CB 1.421 43.850 42.059 0.616 0.000 1.265 135 L HN 0.345 nan 8.230 nan 0.000 0.403 136 V N 4.251 124.408 119.914 0.405 0.000 2.398 136 V HA 0.412 4.642 4.120 0.184 0.000 0.286 136 V C -0.248 176.033 176.094 0.311 0.000 1.026 136 V CA -0.676 61.801 62.300 0.295 0.000 0.868 136 V CB 1.597 33.506 31.823 0.143 0.000 0.982 136 V HN 0.734 nan 8.190 nan 0.000 0.443 137 D N 4.722 125.322 120.400 0.333 0.000 2.411 137 D HA 0.180 4.931 4.640 0.184 0.000 0.225 137 D C 1.114 177.512 176.300 0.163 0.000 1.156 137 D CA -0.451 53.740 54.000 0.318 0.000 0.874 137 D CB 0.888 41.942 40.800 0.424 0.000 1.034 137 D HN 0.350 nan 8.370 nan 0.000 0.502 138 R N 2.706 123.287 120.500 0.135 0.000 2.189 138 R HA -0.070 4.381 4.340 0.184 0.000 0.223 138 R C 1.405 177.732 176.300 0.046 0.000 1.092 138 R CA 0.664 56.809 56.100 0.075 0.000 0.989 138 R CB 0.172 30.514 30.300 0.070 0.000 0.876 138 R HN 0.619 nan 8.270 nan 0.000 0.457 139 E N -0.145 120.089 120.200 0.057 0.000 2.051 139 E HA -0.094 4.367 4.350 0.184 0.000 0.189 139 E C 1.758 178.307 176.600 -0.085 0.000 0.979 139 E CA 1.773 58.171 56.400 -0.004 0.000 0.803 139 E CB 0.057 29.769 29.700 0.020 0.000 0.761 139 E HN 0.392 nan 8.360 nan 0.000 0.451 140 T N -3.586 110.901 114.554 -0.111 0.000 3.037 140 T HA 0.260 4.721 4.350 0.184 0.000 0.251 140 T C 1.546 176.202 174.700 -0.074 0.000 1.079 140 T CA 0.609 62.628 62.100 -0.135 0.000 1.067 140 T CB 0.845 69.598 68.868 -0.191 0.000 0.948 140 T HN 0.303 nan 8.240 nan 0.000 0.496 141 G N 1.025 109.802 108.800 -0.037 0.000 2.175 141 G HA2 -0.221 3.850 3.960 0.184 0.000 0.244 141 G HA3 -0.221 3.850 3.960 0.184 0.000 0.244 141 G C 0.196 175.039 174.900 -0.095 0.000 0.982 141 G CA 0.107 45.173 45.100 -0.055 0.000 0.641 141 G HN 0.749 nan 8.290 nan 0.000 0.527 142 T N 1.108 115.597 114.554 -0.108 0.000 2.919 142 T HA 0.576 5.036 4.350 0.184 0.000 0.302 142 T C 0.479 174.957 174.700 -0.371 0.000 1.031 142 T CA 0.372 62.298 62.100 -0.289 0.000 1.127 142 T CB 1.649 70.303 68.868 -0.356 0.000 0.952 142 T HN 0.334 nan 8.240 nan 0.000 0.540 143 I N 2.717 123.007 120.570 -0.466 0.000 2.433 143 I HA 0.451 4.731 4.170 0.184 0.000 0.292 143 I C -0.903 175.066 176.117 -0.246 0.000 1.001 143 I CA -0.732 60.449 61.300 -0.200 0.000 1.119 143 I CB 1.248 39.232 38.000 -0.028 0.000 1.289 143 I HN 0.496 nan 8.210 nan 0.000 0.438 144 F N 3.864 124.043 119.950 0.382 0.000 2.495 144 F HA 0.416 5.053 4.527 0.183 0.000 0.327 144 F C 0.112 176.097 175.800 0.307 0.000 1.103 144 F CA -0.739 57.431 58.000 0.283 0.000 0.949 144 F CB 1.479 40.592 39.000 0.188 0.000 1.142 144 F HN 0.360 nan 8.300 nan 0.000 0.457 145 N N 2.499 121.335 118.700 0.228 0.000 2.531 145 N HA 0.440 5.291 4.740 0.184 0.000 0.268 145 N C -1.550 173.854 175.510 -0.177 0.000 1.023 145 N CA -0.343 52.700 53.050 -0.012 0.000 0.896 145 N CB 0.628 38.912 38.487 -0.338 0.000 1.233 145 N HN 0.327 nan 8.380 nan 0.000 0.512 146 F N 2.744 122.629 119.950 -0.109 0.000 2.399 146 F HA 0.364 5.002 4.527 0.184 0.000 0.342 146 F C 0.682 176.386 175.800 -0.160 0.000 1.106 146 F CA 0.318 58.184 58.000 -0.223 0.000 1.196 146 F CB 0.734 39.607 39.000 -0.212 0.000 1.163 146 F HN 0.585 nan 8.300 nan 0.000 0.547 147 H N -1.320 117.844 119.070 0.156 0.000 2.967 147 H HA 0.527 5.193 4.556 0.184 0.000 0.318 147 H C -1.742 173.711 175.328 0.209 0.000 1.375 147 H CA -1.310 54.818 56.048 0.133 0.000 1.132 147 H CB 0.270 30.090 29.762 0.097 0.000 1.848 147 H HN 0.343 nan 8.280 nan 0.000 0.524 148 V N 1.660 121.793 119.914 0.366 0.000 2.583 148 V HA 0.139 4.370 4.120 0.184 0.000 0.287 148 V C -0.962 175.316 176.094 0.307 0.000 1.051 148 V CA -0.147 62.328 62.300 0.291 0.000 1.010 148 V CB 0.554 32.481 31.823 0.175 0.000 0.988 148 V HN 0.750 nan 8.190 nan 0.000 0.478 149 Y N 6.062 126.428 120.300 0.110 0.000 2.388 149 Y HA 0.618 5.278 4.550 0.184 0.000 0.328 149 Y C 0.077 175.907 175.900 -0.117 0.000 0.963 149 Y CA -1.217 56.810 58.100 -0.122 0.000 1.240 149 Y CB 1.223 39.773 38.460 0.151 0.000 1.118 149 Y HN 0.644 nan 8.280 nan 0.000 0.484 150 S N 4.054 119.518 115.700 -0.394 0.000 2.638 150 S HA 0.678 5.258 4.470 0.184 0.000 0.298 150 S C -0.254 174.073 174.600 -0.455 0.000 1.111 150 S CA -0.405 57.557 58.200 -0.396 0.000 1.027 150 S CB 2.804 65.870 63.200 -0.223 0.000 1.064 150 S HN 0.777 nan 8.310 nan 0.000 0.525 151 Q N 0.387 119.983 119.800 -0.340 0.000 2.245 151 Q HA 0.413 4.864 4.340 0.184 0.000 0.172 151 Q C 1.923 177.842 176.000 -0.136 0.000 0.604 151 Q CA -0.330 55.339 55.803 -0.224 0.000 0.812 151 Q CB 0.298 28.904 28.738 -0.221 0.000 1.149 151 Q HN 0.711 nan 8.270 nan 0.000 0.467 152 R N -0.634 119.789 120.500 -0.127 0.000 2.225 152 R HA 0.273 4.724 4.340 0.184 0.000 0.194 152 R C 0.063 176.308 176.300 -0.091 0.000 0.949 152 R CA 0.223 56.269 56.100 -0.089 0.000 1.088 152 R CB 0.760 31.018 30.300 -0.070 0.000 1.106 152 R HN 0.138 nan 8.270 nan 0.000 0.566 153 Q N 0.046 119.779 119.800 -0.112 0.000 2.297 153 Q HA 0.447 4.898 4.340 0.184 0.000 0.268 153 Q C 0.031 175.967 176.000 -0.108 0.000 1.045 153 Q CA -0.403 55.338 55.803 -0.103 0.000 0.861 153 Q CB 2.010 30.683 28.738 -0.107 0.000 1.344 153 Q HN 0.160 nan 8.270 nan 0.000 0.452 154 G N -0.243 108.506 108.800 -0.086 0.000 2.736 154 G HA2 0.260 4.331 3.960 0.184 0.000 0.229 154 G HA3 0.260 4.331 3.960 0.184 0.000 0.229 154 G C 0.064 174.938 174.900 -0.044 0.000 1.380 154 G CA -0.363 44.698 45.100 -0.064 0.000 1.040 154 G HN 0.520 nan 8.290 nan 0.000 0.568 155 F N 1.110 120.945 119.950 -0.192 0.000 2.113 155 F HA 0.057 4.696 4.527 0.186 0.000 0.297 155 F C 2.630 178.337 175.800 -0.154 0.000 1.103 155 F CA 2.079 59.949 58.000 -0.218 0.000 1.248 155 F CB -0.257 38.494 39.000 -0.416 0.000 0.999 155 F HN 0.284 nan 8.300 nan 0.000 0.475 156 A N -0.560 122.101 122.820 -0.265 0.000 2.119 156 A HA 0.175 4.606 4.320 0.184 0.000 0.217 156 A C 2.163 179.638 177.584 -0.182 0.000 1.153 156 A CA 1.171 53.053 52.037 -0.257 0.000 0.692 156 A CB -1.349 17.626 19.000 -0.041 0.000 0.799 156 A HN 0.506 nan 8.150 nan 0.000 0.458 157 G N -1.206 107.505 108.800 -0.148 0.000 3.192 157 G HA2 0.279 4.350 3.960 0.184 0.000 0.239 157 G HA3 0.279 4.350 3.960 0.184 0.000 0.239 157 G C 0.595 175.424 174.900 -0.117 0.000 1.084 157 G CA 0.670 45.704 45.100 -0.110 0.000 0.784 157 G HN 0.412 nan 8.290 nan 0.000 0.540 158 S N 0.938 116.547 115.700 -0.151 0.000 2.558 158 S HA 0.318 4.898 4.470 0.184 0.000 0.288 158 S C 0.330 174.863 174.600 -0.112 0.000 1.318 158 S CA -0.166 57.953 58.200 -0.136 0.000 1.056 158 S CB 0.455 63.568 63.200 -0.145 0.000 0.853 158 S HN 0.232 nan 8.310 nan 0.000 0.505 159 R N 3.639 124.085 120.500 -0.090 0.000 2.668 159 R HA 0.458 4.909 4.340 0.184 0.000 0.279 159 R C -2.728 173.543 176.300 -0.048 0.000 0.976 159 R CA -2.509 53.555 56.100 -0.060 0.000 0.978 159 R CB 0.232 30.503 30.300 -0.049 0.000 1.133 159 R HN 0.459 nan 8.270 nan 0.000 0.484 160 P HA 0.087 nan 4.420 nan 0.000 0.264 160 P C -0.257 177.041 177.300 -0.003 0.000 1.179 160 P CA 0.876 63.976 63.100 -0.001 0.000 0.763 160 P CB 0.470 32.175 31.700 0.009 0.000 0.806 161 G N 0.817 109.623 108.800 0.011 0.000 2.312 161 G HA2 0.259 4.330 3.960 0.184 0.000 0.347 161 G HA3 0.259 4.330 3.960 0.184 0.000 0.347 161 G C -0.040 174.893 174.900 0.054 0.000 1.564 161 G CA -0.094 45.022 45.100 0.026 0.000 0.981 161 G HN 0.470 nan 8.290 nan 0.000 0.678 162 T N -2.335 112.274 114.554 0.092 0.000 3.043 162 T HA 0.324 4.784 4.350 0.184 0.000 0.272 162 T C 0.183 175.009 174.700 0.210 0.000 0.990 162 T CA 0.549 62.739 62.100 0.150 0.000 0.897 162 T CB 0.703 69.629 68.868 0.097 0.000 1.111 162 T HN 0.537 nan 8.240 nan 0.000 0.529 163 D N 3.034 123.550 120.400 0.192 0.000 2.358 163 D HA 0.270 5.020 4.640 0.184 0.000 0.258 163 D C -1.564 174.886 176.300 0.249 0.000 1.223 163 D CA -2.243 51.856 54.000 0.165 0.000 0.886 163 D CB 1.587 42.453 40.800 0.109 0.000 1.120 163 D HN -0.022 nan 8.370 nan 0.000 0.482 164 P HA -0.160 nan 4.420 nan 0.000 0.218 164 P C 0.690 178.034 177.300 0.073 0.000 1.146 164 P CA 1.278 64.259 63.100 -0.199 0.000 0.813 164 P CB 0.244 31.878 31.700 -0.110 0.000 0.778 165 A N -0.822 122.067 122.820 0.115 0.000 1.970 165 A HA -0.093 4.338 4.320 0.184 0.000 0.216 165 A C 1.279 178.940 177.584 0.128 0.000 1.170 165 A CA 0.555 52.663 52.037 0.118 0.000 0.645 165 A CB -1.100 17.948 19.000 0.080 0.000 0.816 165 A HN 0.093 nan 8.150 nan 0.000 0.447 166 D N 0.735 121.223 120.400 0.146 0.000 2.389 166 D HA 0.057 4.807 4.640 0.184 0.000 0.263 166 D C -1.548 174.789 176.300 0.063 0.000 1.255 166 D CA -1.633 52.420 54.000 0.088 0.000 0.914 166 D CB 1.011 41.852 40.800 0.069 0.000 1.116 166 D HN 0.200 nan 8.370 nan 0.000 0.502 167 P HA -0.013 nan 4.420 nan 0.000 0.245 167 P C 0.160 177.404 177.300 -0.092 0.000 1.212 167 P CA 0.253 63.326 63.100 -0.044 0.000 0.774 167 P CB 0.471 32.156 31.700 -0.025 0.000 0.999 168 N N 0.000 118.649 118.700 -0.085 0.000 2.205 168 N HA 0.070 4.921 4.740 0.184 0.000 0.201 168 N C 0.412 175.837 175.510 -0.143 0.000 1.128 168 N CA 0.105 53.095 53.050 -0.100 0.000 0.867 168 N CB 1.459 39.908 38.487 -0.064 0.000 0.996 168 N HN 0.157 nan 8.380 nan 0.000 0.503 169 V N 0.079 119.861 119.914 -0.221 0.000 2.667 169 V HA 0.511 4.742 4.120 0.184 0.000 0.308 169 V C -0.482 175.353 176.094 -0.433 0.000 1.048 169 V CA -1.042 61.080 62.300 -0.297 0.000 0.928 169 V CB 2.204 33.850 31.823 -0.295 0.000 1.004 169 V HN -0.103 nan 8.190 nan 0.000 0.444 170 L N 5.517 126.571 121.223 -0.281 0.000 2.283 170 L HA 0.537 4.987 4.340 0.184 0.000 0.287 170 L C 0.061 176.837 176.870 -0.157 0.000 1.073 170 L CA 0.447 55.172 54.840 -0.192 0.000 0.822 170 L CB -0.209 41.835 42.059 -0.026 0.000 1.186 170 L HN 0.877 nan 8.230 nan 0.000 0.436 171 H N 3.027 122.115 119.070 0.031 0.000 2.546 171 H HA 0.648 5.315 4.556 0.184 0.000 0.365 171 H C -0.140 175.326 175.328 0.229 0.000 1.220 171 H CA -0.003 56.132 56.048 0.146 0.000 1.386 171 H CB 1.056 30.956 29.762 0.231 0.000 1.510 171 H HN 0.765 nan 8.280 nan 0.000 0.591 172 A N 2.415 125.471 122.820 0.394 0.000 2.277 172 A HA 0.275 4.705 4.320 0.184 0.000 0.318 172 A C -0.366 177.384 177.584 0.277 0.000 1.339 172 A CA -0.649 51.602 52.037 0.357 0.000 0.875 172 A CB 0.029 19.216 19.000 0.311 0.000 1.158 172 A HN 0.821 nan 8.150 nan 0.000 0.514 173 N N 0.446 119.280 118.700 0.224 0.000 2.459 173 N HA 0.699 5.549 4.740 0.184 0.000 0.288 173 N C -1.228 174.150 175.510 -0.220 0.000 1.186 173 N CA -0.556 52.531 53.050 0.062 0.000 0.917 173 N CB 2.193 40.779 38.487 0.164 0.000 1.219 173 N HN 0.418 nan 8.380 nan 0.000 0.525 174 V N -0.597 119.155 119.914 -0.271 0.000 2.668 174 V HA 0.637 4.868 4.120 0.184 0.000 0.304 174 V C -0.637 175.344 176.094 -0.189 0.000 1.071 174 V CA -1.102 60.932 62.300 -0.444 0.000 0.894 174 V CB 1.089 32.637 31.823 -0.457 0.000 1.008 174 V HN 0.731 nan 8.190 nan 0.000 0.425 175 A N 2.793 125.519 122.820 -0.158 0.000 2.292 175 A HA 0.862 5.293 4.320 0.184 0.000 0.319 175 A C 0.146 177.876 177.584 0.244 0.000 1.206 175 A CA -0.390 51.649 52.037 0.003 0.000 0.835 175 A CB 0.942 19.929 19.000 -0.022 0.000 1.164 175 A HN 0.863 nan 8.150 nan 0.000 0.505 176 T N 1.533 116.200 114.554 0.188 0.000 2.829 176 T HA 0.612 5.072 4.350 0.184 0.000 0.280 176 T C -0.291 174.323 174.700 -0.143 0.000 0.999 176 T CA -0.338 61.796 62.100 0.056 0.000 0.983 176 T CB 1.401 70.300 68.868 0.052 0.000 0.968 176 T HN 0.698 nan 8.240 nan 0.000 0.446 177 S N 0.812 116.247 115.700 -0.442 0.000 2.557 177 S HA 0.541 5.122 4.470 0.184 0.000 0.291 177 S C 0.694 175.004 174.600 -0.483 0.000 1.116 177 S CA -0.589 57.198 58.200 -0.689 0.000 0.992 177 S CB 1.103 63.444 63.200 -1.432 0.000 1.028 177 S HN 0.851 nan 8.310 nan 0.000 0.484 178 T N -0.148 114.189 114.554 -0.363 0.000 3.085 178 T HA 0.231 4.692 4.350 0.184 0.000 0.264 178 T C 0.072 174.634 174.700 -0.230 0.000 1.019 178 T CA 0.032 61.978 62.100 -0.257 0.000 0.910 178 T CB -0.188 68.572 68.868 -0.180 0.000 1.059 178 T HN 0.592 nan 8.240 nan 0.000 0.542 179 D N 0.298 120.528 120.400 -0.283 0.000 2.696 179 D HA 0.354 5.104 4.640 0.184 0.000 0.269 179 D C 1.398 177.557 176.300 -0.236 0.000 1.319 179 D CA -0.203 53.660 54.000 -0.228 0.000 0.826 179 D CB -0.220 40.459 40.800 -0.202 0.000 1.086 179 D HN 0.390 nan 8.370 nan 0.000 0.481 180 G N -0.569 108.078 108.800 -0.255 0.000 2.176 180 G HA2 -0.097 3.974 3.960 0.184 0.000 0.253 180 G HA3 -0.097 3.974 3.960 0.184 0.000 0.253 180 G C 1.143 175.906 174.900 -0.228 0.000 0.979 180 G CA 0.319 45.294 45.100 -0.209 0.000 0.641 180 G HN 1.486 nan 8.290 nan 0.000 0.530 181 G N -1.069 107.478 108.800 -0.422 0.000 2.192 181 G HA2 -0.160 3.910 3.960 0.184 0.000 0.193 181 G HA3 -0.160 3.910 3.960 0.184 0.000 0.193 181 G C 1.271 175.989 174.900 -0.303 0.000 0.999 181 G CA 0.627 45.463 45.100 -0.440 0.000 0.659 181 G HN 1.137 nan 8.290 nan 0.000 0.503 182 L N 0.990 122.042 121.223 -0.286 0.000 1.961 182 L HA 0.142 4.593 4.340 0.184 0.000 0.210 182 L C 1.937 178.708 176.870 -0.165 0.000 1.072 182 L CA 1.985 56.742 54.840 -0.139 0.000 0.749 182 L CB -1.005 40.978 42.059 -0.126 0.000 0.889 182 L HN 0.541 nan 8.230 nan 0.000 0.432 183 T N -3.550 110.796 114.554 -0.347 0.000 2.918 183 T HA 0.491 4.952 4.350 0.184 0.000 0.286 183 T C -1.161 173.202 174.700 -0.562 0.000 1.026 183 T CA -0.669 61.285 62.100 -0.244 0.000 1.031 183 T CB 1.717 70.501 68.868 -0.141 0.000 1.046 183 T HN 0.076 nan 8.240 nan 0.000 0.479 184 W N -0.006 121.224 121.300 -0.116 0.000 2.882 184 W HA 0.666 5.436 4.660 0.183 0.000 0.345 184 W C -0.534 175.788 176.519 -0.329 0.000 1.125 184 W CA -0.829 56.376 57.345 -0.234 0.000 1.167 184 W CB 2.089 31.371 29.460 -0.297 0.000 1.431 184 W HN 0.650 nan 8.180 nan 0.000 0.543 185 S N 1.152 116.753 115.700 -0.165 0.000 2.605 185 S HA 0.383 4.964 4.470 0.184 0.000 0.308 185 S C -1.051 173.392 174.600 -0.261 0.000 1.113 185 S CA -0.827 57.272 58.200 -0.168 0.000 1.049 185 S CB 0.554 63.717 63.200 -0.061 0.000 1.001 185 S HN 0.309 nan 8.310 nan 0.000 0.480 186 H N 2.496 121.595 119.070 0.048 0.000 2.473 186 H HA 0.560 5.226 4.556 0.184 0.000 0.327 186 H C -0.008 175.325 175.328 0.007 0.000 1.105 186 H CA -0.410 55.645 56.048 0.011 0.000 1.280 186 H CB 1.150 30.882 29.762 -0.050 0.000 1.450 186 H HN 0.398 nan 8.280 nan 0.000 0.492 187 R N 0.584 121.152 120.500 0.113 0.000 2.725 187 R HA 0.369 4.820 4.340 0.184 0.000 0.277 187 R C -0.786 175.554 176.300 0.067 0.000 0.987 187 R CA -0.671 55.478 56.100 0.082 0.000 0.901 187 R CB 2.063 32.421 30.300 0.097 0.000 1.207 187 R HN 0.464 nan 8.270 nan 0.000 0.463 188 T N 2.858 117.448 114.554 0.060 0.000 2.772 188 T HA 0.307 4.767 4.350 0.184 0.000 0.288 188 T C 0.684 175.434 174.700 0.084 0.000 0.994 188 T CA -0.523 61.621 62.100 0.073 0.000 0.951 188 T CB 0.450 69.319 68.868 0.000 0.000 0.933 188 T HN 0.608 nan 8.240 nan 0.000 0.447 189 I N 0.193 120.828 120.570 0.108 0.000 3.816 189 I HA 0.265 4.546 4.170 0.184 0.000 0.334 189 I C 1.419 177.601 176.117 0.107 0.000 1.551 189 I CA -0.496 60.869 61.300 0.109 0.000 1.153 189 I CB -0.196 37.866 38.000 0.103 0.000 1.197 189 I HN 0.356 nan 8.210 nan 0.000 0.439 190 T N 1.407 116.051 114.554 0.151 0.000 2.720 190 T HA -0.164 4.297 4.350 0.184 0.000 0.268 190 T C 2.170 176.937 174.700 0.112 0.000 1.037 190 T CA 2.006 64.209 62.100 0.170 0.000 1.144 190 T CB -0.104 68.964 68.868 0.333 0.000 0.864 190 T HN 0.634 nan 8.240 nan 0.000 0.444 191 A N 2.245 125.126 122.820 0.101 0.000 1.877 191 A HA -0.156 4.275 4.320 0.184 0.000 0.216 191 A C 2.060 179.669 177.584 0.042 0.000 1.186 191 A CA 1.890 53.966 52.037 0.065 0.000 0.620 191 A CB -0.813 18.222 19.000 0.058 0.000 0.822 191 A HN 0.401 nan 8.150 nan 0.000 0.443 192 D N 0.172 120.605 120.400 0.055 0.000 2.158 192 D HA -0.170 4.580 4.640 0.184 0.000 0.197 192 D C 1.567 177.879 176.300 0.020 0.000 0.995 192 D CA 1.744 55.773 54.000 0.049 0.000 0.846 192 D CB -0.386 40.477 40.800 0.105 0.000 0.941 192 D HN 0.758 nan 8.370 nan 0.000 0.456 193 I N -2.976 117.599 120.570 0.009 0.000 3.941 193 I HA 0.222 4.503 4.170 0.184 0.000 0.335 193 I C -0.252 175.881 176.117 0.027 0.000 1.402 193 I CA -0.024 61.257 61.300 -0.032 0.000 1.112 193 I CB 0.380 38.278 38.000 -0.170 0.000 1.043 193 I HN -0.338 nan 8.210 nan 0.000 0.395 194 T N 4.659 119.227 114.554 0.024 0.000 3.375 194 T HA 0.318 4.779 4.350 0.184 0.000 0.363 194 T C -1.375 173.225 174.700 -0.168 0.000 1.837 194 T CA -0.806 61.304 62.100 0.017 0.000 1.445 194 T CB 0.592 69.498 68.868 0.064 0.000 1.089 194 T HN 0.269 nan 8.240 nan 0.000 0.722 195 P HA 0.011 nan 4.420 nan 0.000 0.230 195 P C -0.022 177.015 177.300 -0.439 0.000 1.158 195 P CA 0.865 63.797 63.100 -0.279 0.000 0.769 195 P CB 0.364 31.947 31.700 -0.196 0.000 0.807 196 D N 0.195 120.120 120.400 -0.793 0.000 2.593 196 D HA 0.159 4.910 4.640 0.184 0.000 0.251 196 D C -1.704 174.298 176.300 -0.498 0.000 1.140 196 D CA -2.694 50.844 54.000 -0.770 0.000 0.855 196 D CB 1.819 41.782 40.800 -1.394 0.000 1.267 196 D HN -0.148 nan 8.370 nan 0.000 0.532 197 P HA -0.076 nan 4.420 nan 0.000 0.222 197 P C 1.172 178.467 177.300 -0.007 0.000 1.142 197 P CA 0.711 63.757 63.100 -0.091 0.000 0.788 197 P CB 0.270 31.930 31.700 -0.065 0.000 0.767 198 G N -1.305 107.500 108.800 0.008 0.000 2.511 198 G HA2 -0.159 3.912 3.960 0.184 0.000 0.217 198 G HA3 -0.159 3.912 3.960 0.184 0.000 0.217 198 G C 0.546 175.653 174.900 0.346 0.000 1.133 198 G CA -0.417 44.777 45.100 0.157 0.000 0.792 198 G HN 0.303 nan 8.290 nan 0.000 0.539 199 W N 2.278 123.581 121.300 0.004 0.000 2.518 199 W HA 0.159 4.930 4.660 0.185 0.000 0.439 199 W C 1.645 178.157 176.519 -0.013 0.000 1.075 199 W CA -0.971 56.376 57.345 0.003 0.000 1.646 199 W CB 0.300 29.764 29.460 0.007 0.000 1.721 199 W HN 0.272 nan 8.180 nan 0.000 0.386 200 R N 0.795 121.394 120.500 0.165 0.000 2.275 200 R HA 0.094 4.545 4.340 0.184 0.000 0.199 200 R C 0.577 176.871 176.300 -0.010 0.000 0.989 200 R CA 0.388 56.520 56.100 0.053 0.000 1.016 200 R CB 0.385 30.687 30.300 0.003 0.000 0.918 200 R HN 0.108 nan 8.270 nan 0.000 0.473 201 S N -0.060 115.629 115.700 -0.019 0.000 2.579 201 S HA 0.564 5.145 4.470 0.184 0.000 0.272 201 S C -1.818 172.881 174.600 0.165 0.000 1.141 201 S CA -1.004 57.182 58.200 -0.023 0.000 0.843 201 S CB 1.523 64.528 63.200 -0.324 0.000 1.122 201 S HN 0.471 nan 8.310 nan 0.000 0.468 202 R N 1.199 121.902 120.500 0.339 0.000 2.690 202 R HA 0.646 5.097 4.340 0.184 0.000 0.269 202 R C -2.196 174.431 176.300 0.545 0.000 1.037 202 R CA -0.688 55.679 56.100 0.445 0.000 0.877 202 R CB 0.654 31.135 30.300 0.302 0.000 1.255 202 R HN 0.805 nan 8.270 nan 0.000 0.467 203 F N -0.755 119.289 119.950 0.155 0.000 2.654 203 F HA 0.747 5.385 4.527 0.184 0.000 0.314 203 F C -1.643 173.960 175.800 -0.328 0.000 1.116 203 F CA -0.858 57.114 58.000 -0.048 0.000 1.017 203 F CB 1.249 40.135 39.000 -0.190 0.000 1.285 203 F HN 0.825 nan 8.300 nan 0.000 0.448 204 A N 2.726 125.115 122.820 -0.717 0.000 2.409 204 A HA 0.705 5.136 4.320 0.184 0.000 0.267 204 A C 0.340 177.475 177.584 -0.747 0.000 1.127 204 A CA -0.138 51.179 52.037 -1.199 0.000 0.795 204 A CB -0.201 18.195 19.000 -1.006 0.000 1.061 204 A HN 1.801 nan 8.150 nan 0.000 0.502 205 A N 3.728 126.096 122.820 -0.754 0.000 2.484 205 A HA 0.473 4.904 4.320 0.184 0.000 0.268 205 A C 1.048 178.457 177.584 -0.291 0.000 1.114 205 A CA 0.304 52.040 52.037 -0.501 0.000 0.780 205 A CB -0.742 17.999 19.000 -0.431 0.000 1.061 205 A HN 1.708 nan 8.150 nan 0.000 0.505 206 S N 2.510 118.122 115.700 -0.146 0.000 2.566 206 S HA 0.597 5.177 4.470 0.184 0.000 0.280 206 S C 0.991 175.570 174.600 -0.035 0.000 1.343 206 S CA 0.173 58.348 58.200 -0.041 0.000 1.036 206 S CB 1.057 64.305 63.200 0.079 0.000 0.866 206 S HN 2.408 nan 8.310 nan 0.000 0.526 207 G N 0.927 109.741 108.800 0.024 0.000 1.844 207 G HA2 0.119 4.190 3.960 0.184 0.000 0.177 207 G HA3 0.119 4.190 3.960 0.184 0.000 0.177 207 G C -0.765 174.204 174.900 0.114 0.000 1.010 207 G CA -0.061 45.074 45.100 0.059 0.000 1.257 207 G HN 1.106 nan 8.290 nan 0.000 0.428 208 E N -0.386 119.867 120.200 0.088 0.000 2.381 208 E HA 0.523 4.984 4.350 0.184 0.000 0.286 208 E C 0.233 176.885 176.600 0.087 0.000 0.960 208 E CA -0.075 56.413 56.400 0.147 0.000 0.793 208 E CB 1.051 30.861 29.700 0.183 0.000 1.225 208 E HN 1.013 nan 8.360 nan 0.000 0.420 209 G N 2.562 111.426 108.800 0.108 0.000 2.509 209 G HA2 0.683 4.754 3.960 0.184 0.000 0.269 209 G HA3 0.683 4.754 3.960 0.184 0.000 0.269 209 G C -0.114 174.852 174.900 0.110 0.000 1.416 209 G CA -0.362 44.775 45.100 0.061 0.000 1.052 209 G HN 0.613 nan 8.290 nan 0.000 0.542 210 I N -3.708 116.926 120.570 0.108 0.000 2.894 210 I HA 0.610 4.891 4.170 0.184 0.000 0.302 210 I C -1.049 175.148 176.117 0.134 0.000 1.188 210 I CA -1.142 60.226 61.300 0.114 0.000 1.014 210 I CB 2.551 40.597 38.000 0.077 0.000 1.242 210 I HN 0.489 nan 8.210 nan 0.000 0.430 211 Q N 4.481 124.356 119.800 0.125 0.000 2.348 211 Q HA 0.561 5.012 4.340 0.184 0.000 0.265 211 Q C -1.477 174.564 176.000 0.069 0.000 0.998 211 Q CA -0.735 55.143 55.803 0.126 0.000 0.831 211 Q CB 1.753 30.584 28.738 0.156 0.000 1.251 211 Q HN 0.776 nan 8.270 nan 0.000 0.456 212 L N 3.655 124.917 121.223 0.066 0.000 2.483 212 L HA 0.075 4.526 4.340 0.184 0.000 0.276 212 L C 1.114 177.981 176.870 -0.005 0.000 1.213 212 L CA 0.014 54.872 54.840 0.029 0.000 0.843 212 L CB 0.364 42.472 42.059 0.082 0.000 1.107 212 L HN 0.762 nan 8.230 nan 0.000 0.487 213 R N 1.380 121.804 120.500 -0.128 0.000 2.369 213 R HA 0.173 4.624 4.340 0.184 0.000 0.210 213 R C -0.416 175.902 176.300 0.030 0.000 0.881 213 R CA 0.223 56.246 56.100 -0.128 0.000 1.031 213 R CB 0.190 30.304 30.300 -0.310 0.000 1.184 213 R HN 0.361 nan 8.270 nan 0.000 0.581 214 Y N 0.508 120.849 120.300 0.068 0.000 2.488 214 Y HA 0.568 5.228 4.550 0.183 0.000 0.325 214 Y C 1.512 177.434 175.900 0.036 0.000 1.204 214 Y CA -0.717 57.413 58.100 0.050 0.000 1.229 214 Y CB 0.095 38.585 38.460 0.051 0.000 1.274 214 Y HN 0.344 nan 8.280 nan 0.000 0.493 215 G N 1.419 110.334 108.800 0.191 0.000 2.641 215 G HA2 -0.226 3.845 3.960 0.184 0.000 0.254 215 G HA3 -0.226 3.845 3.960 0.184 0.000 0.254 215 G C -1.641 173.253 174.900 -0.010 0.000 1.315 215 G CA -0.207 44.932 45.100 0.065 0.000 0.907 215 G HN 0.592 nan 8.290 nan 0.000 0.572 216 P HA 0.045 nan 4.420 nan 0.000 0.236 216 P C 0.654 177.718 177.300 -0.394 0.000 1.177 216 P CA 1.546 64.471 63.100 -0.292 0.000 0.773 216 P CB -0.054 31.387 31.700 -0.431 0.000 0.878 217 H N -0.557 118.522 119.070 0.015 0.000 2.486 217 H HA 0.469 5.136 4.556 0.184 0.000 0.284 217 H C 0.570 175.914 175.328 0.027 0.000 1.103 217 H CA -0.497 55.555 56.048 0.007 0.000 1.089 217 H CB 0.165 29.914 29.762 -0.022 0.000 1.603 217 H HN 0.089 nan 8.280 nan 0.000 0.557 218 A N 0.829 123.705 122.820 0.094 0.000 2.524 218 A HA 0.416 4.847 4.320 0.184 0.000 0.250 218 A C 1.552 179.187 177.584 0.086 0.000 1.078 218 A CA 0.940 53.032 52.037 0.092 0.000 0.761 218 A CB -0.472 18.582 19.000 0.091 0.000 1.012 218 A HN 0.701 nan 8.150 nan 0.000 0.500 219 G N 1.607 110.462 108.800 0.092 0.000 2.278 219 G HA2 -0.207 3.864 3.960 0.184 0.000 0.210 219 G HA3 -0.207 3.864 3.960 0.184 0.000 0.210 219 G C 0.566 175.498 174.900 0.053 0.000 1.000 219 G CA 0.170 45.333 45.100 0.105 0.000 0.635 219 G HN 1.026 nan 8.290 nan 0.000 0.495 220 R N 1.296 121.830 120.500 0.057 0.000 2.484 220 R HA 0.434 4.885 4.340 0.184 0.000 0.293 220 R C 0.133 176.496 176.300 0.105 0.000 1.023 220 R CA -0.143 55.994 56.100 0.061 0.000 1.037 220 R CB -0.035 30.321 30.300 0.094 0.000 0.951 220 R HN 0.312 nan 8.270 nan 0.000 0.418 221 L N 6.622 127.916 121.223 0.118 0.000 2.292 221 L HA 0.433 4.884 4.340 0.184 0.000 0.284 221 L C -0.072 176.975 176.870 0.296 0.000 1.065 221 L CA -0.483 54.487 54.840 0.217 0.000 0.806 221 L CB 1.096 43.295 42.059 0.234 0.000 1.175 221 L HN 0.548 nan 8.230 nan 0.000 0.431 222 I N 3.003 123.702 120.570 0.216 0.000 2.498 222 I HA 0.392 4.673 4.170 0.184 0.000 0.290 222 I C -0.633 175.505 176.117 0.035 0.000 1.032 222 I CA -0.617 60.774 61.300 0.153 0.000 1.073 222 I CB 2.185 40.204 38.000 0.032 0.000 1.251 222 I HN 0.504 nan 8.210 nan 0.000 0.426 223 Q N 5.341 125.096 119.800 -0.075 0.000 2.304 223 Q HA 0.367 4.818 4.340 0.184 0.000 0.270 223 Q C -1.454 174.420 176.000 -0.209 0.000 1.035 223 Q CA -0.677 54.914 55.803 -0.352 0.000 0.781 223 Q CB 1.772 29.889 28.738 -1.034 0.000 1.261 223 Q HN 0.383 nan 8.270 nan 0.000 0.444 224 Q N 2.477 122.127 119.800 -0.251 0.000 2.259 224 Q HA 0.387 4.837 4.340 0.184 0.000 0.246 224 Q C -0.876 174.925 176.000 -0.333 0.000 0.920 224 Q CA 0.086 55.776 55.803 -0.189 0.000 0.895 224 Q CB 0.938 29.551 28.738 -0.208 0.000 1.220 224 Q HN 0.671 nan 8.270 nan 0.000 0.439 225 Y N -0.840 119.286 120.300 -0.290 0.000 2.634 225 Y HA 0.470 5.131 4.550 0.185 0.000 0.340 225 Y C -0.123 175.562 175.900 -0.358 0.000 1.058 225 Y CA -0.671 57.226 58.100 -0.339 0.000 1.081 225 Y CB 2.345 40.674 38.460 -0.219 0.000 1.295 225 Y HN 0.358 nan 8.280 nan 0.000 0.487 226 T N 3.389 117.784 114.554 -0.266 0.000 2.879 226 T HA 0.656 5.117 4.350 0.184 0.000 0.290 226 T C -0.886 173.801 174.700 -0.021 0.000 0.993 226 T CA -0.559 61.409 62.100 -0.219 0.000 0.975 226 T CB 0.526 69.174 68.868 -0.367 0.000 0.981 226 T HN 0.499 nan 8.240 nan 0.000 0.439 227 I N -0.081 120.434 120.570 -0.090 0.000 2.910 227 I HA 0.738 5.018 4.170 0.184 0.000 0.310 227 I C -0.972 175.037 176.117 -0.180 0.000 1.043 227 I CA -1.473 59.734 61.300 -0.155 0.000 1.053 227 I CB 1.808 39.450 38.000 -0.596 0.000 1.242 227 I HN 0.502 nan 8.210 nan 0.000 0.452 228 I N 3.676 124.128 120.570 -0.196 0.000 2.420 228 I HA 0.279 4.560 4.170 0.184 0.000 0.282 228 I C -0.504 175.566 176.117 -0.077 0.000 1.019 228 I CA -0.614 60.575 61.300 -0.185 0.000 1.130 228 I CB 1.155 38.961 38.000 -0.324 0.000 1.262 228 I HN 0.757 nan 8.210 nan 0.000 0.454 229 N N 5.295 123.967 118.700 -0.046 0.000 2.322 229 N HA 0.226 5.076 4.740 0.184 0.000 0.270 229 N C 1.129 176.732 175.510 0.154 0.000 1.286 229 N CA -0.115 53.002 53.050 0.111 0.000 0.948 229 N CB 0.482 39.031 38.487 0.104 0.000 1.164 229 N HN 0.530 nan 8.380 nan 0.000 0.551 230 A N -0.758 122.188 122.820 0.211 0.000 1.940 230 A HA 0.005 4.436 4.320 0.184 0.000 0.219 230 A C 2.015 179.657 177.584 0.096 0.000 1.176 230 A CA 2.018 54.136 52.037 0.136 0.000 0.631 230 A CB -1.538 17.540 19.000 0.130 0.000 0.814 230 A HN 0.881 nan 8.150 nan 0.000 0.446 231 A N -1.794 121.087 122.820 0.103 0.000 2.239 231 A HA 0.386 4.817 4.320 0.184 0.000 0.209 231 A C 1.882 179.510 177.584 0.075 0.000 1.171 231 A CA 1.241 53.325 52.037 0.079 0.000 0.768 231 A CB -1.132 17.916 19.000 0.080 0.000 0.790 231 A HN 1.910 nan 8.150 nan 0.000 0.478 232 G N -1.983 106.867 108.800 0.083 0.000 2.179 232 G HA2 0.007 4.078 3.960 0.184 0.000 0.260 232 G HA3 0.007 4.078 3.960 0.184 0.000 0.260 232 G C 0.522 175.518 174.900 0.161 0.000 0.977 232 G CA 0.418 45.576 45.100 0.096 0.000 0.641 232 G HN 1.660 nan 8.290 nan 0.000 0.533 233 A N -0.079 122.826 122.820 0.141 0.000 2.407 233 A HA 0.658 5.089 4.320 0.184 0.000 0.248 233 A C -0.195 177.573 177.584 0.306 0.000 1.082 233 A CA -0.093 52.052 52.037 0.179 0.000 0.785 233 A CB 0.217 19.276 19.000 0.099 0.000 1.020 233 A HN 0.597 nan 8.150 nan 0.000 0.489 234 F N 1.541 121.497 119.950 0.010 0.000 2.371 234 F HA 0.341 4.979 4.527 0.184 0.000 0.363 234 F C 0.907 176.700 175.800 -0.011 0.000 1.122 234 F CA -0.168 57.859 58.000 0.044 0.000 1.129 234 F CB 0.859 39.926 39.000 0.111 0.000 1.173 234 F HN 0.605 nan 8.300 nan 0.000 0.489 235 Q N 1.481 121.309 119.800 0.047 0.000 2.418 235 Q HA 0.882 5.333 4.340 0.184 0.000 0.276 235 Q C -0.920 175.024 176.000 -0.093 0.000 1.081 235 Q CA -1.446 54.327 55.803 -0.050 0.000 0.864 235 Q CB 2.577 31.218 28.738 -0.163 0.000 1.384 235 Q HN 0.610 nan 8.270 nan 0.000 0.467 236 A N 0.707 123.466 122.820 -0.102 0.000 2.342 236 A HA 0.712 5.142 4.320 0.184 0.000 0.323 236 A C -1.325 176.197 177.584 -0.103 0.000 1.125 236 A CA -0.560 51.402 52.037 -0.125 0.000 0.785 236 A CB 1.541 20.448 19.000 -0.154 0.000 1.221 236 A HN 0.356 nan 8.150 nan 0.000 0.463 237 V N 2.058 121.932 119.914 -0.067 0.000 2.808 237 V HA 0.612 4.843 4.120 0.184 0.000 0.308 237 V C -0.362 175.779 176.094 0.078 0.000 1.099 237 V CA -0.336 61.983 62.300 0.031 0.000 0.920 237 V CB 2.412 34.260 31.823 0.043 0.000 1.014 237 V HN 0.929 nan 8.190 nan 0.000 0.425 238 S N 4.478 120.273 115.700 0.157 0.000 2.489 238 S HA 0.586 5.167 4.470 0.184 0.000 0.277 238 S C -0.458 174.295 174.600 0.256 0.000 1.230 238 S CA -0.325 57.977 58.200 0.171 0.000 1.053 238 S CB 1.316 64.592 63.200 0.127 0.000 0.955 238 S HN 0.645 nan 8.310 nan 0.000 0.488 239 V N 5.996 126.029 119.914 0.197 0.000 2.347 239 V HA 0.468 4.699 4.120 0.184 0.000 0.280 239 V C -0.767 175.531 176.094 0.339 0.000 1.021 239 V CA -0.552 61.834 62.300 0.144 0.000 0.847 239 V CB 0.177 31.960 31.823 -0.067 0.000 0.990 239 V HN 0.839 nan 8.190 nan 0.000 0.444 240 Y N 2.513 122.980 120.300 0.278 0.000 2.602 240 Y HA 0.875 5.536 4.550 0.184 0.000 0.342 240 Y C -0.185 175.838 175.900 0.204 0.000 1.029 240 Y CA -1.485 56.788 58.100 0.288 0.000 1.080 240 Y CB 2.014 40.553 38.460 0.130 0.000 1.284 240 Y HN 0.402 nan 8.280 nan 0.000 0.485 241 S N 0.226 115.977 115.700 0.085 0.000 2.571 241 S HA 0.367 4.947 4.470 0.184 0.000 0.284 241 S C -1.029 173.460 174.600 -0.186 0.000 1.128 241 S CA -0.642 57.329 58.200 -0.381 0.000 0.970 241 S CB 1.040 63.448 63.200 -1.320 0.000 1.039 241 S HN 0.779 nan 8.310 nan 0.000 0.485 242 D N 1.987 122.300 120.400 -0.144 0.000 2.369 242 D HA 0.126 4.877 4.640 0.184 0.000 0.211 242 D C -0.040 176.116 176.300 -0.241 0.000 1.077 242 D CA 0.293 54.223 54.000 -0.118 0.000 0.842 242 D CB 0.417 41.225 40.800 0.014 0.000 0.947 242 D HN 0.785 nan 8.370 nan 0.000 0.509 243 D N -0.644 119.592 120.400 -0.273 0.000 2.892 243 D HA 0.022 4.773 4.640 0.184 0.000 0.291 243 D C -0.339 175.862 176.300 -0.164 0.000 1.341 243 D CA -0.757 53.119 54.000 -0.207 0.000 0.844 243 D CB -0.698 40.032 40.800 -0.116 0.000 1.093 243 D HN 0.077 nan 8.370 nan 0.000 0.480 244 H N 0.142 119.156 119.070 -0.093 0.000 2.776 244 H HA -0.154 4.512 4.556 0.184 0.000 0.300 244 H C 1.478 176.788 175.328 -0.029 0.000 1.161 244 H CA 1.122 57.156 56.048 -0.023 0.000 1.147 244 H CB -1.447 28.351 29.762 0.061 0.000 1.366 244 H HN 0.625 nan 8.280 nan 0.000 0.397 245 G N -1.188 107.389 108.800 -0.371 0.000 2.157 245 G HA2 -0.352 3.719 3.960 0.184 0.000 0.239 245 G HA3 -0.352 3.719 3.960 0.184 0.000 0.239 245 G C 1.369 176.098 174.900 -0.286 0.000 0.982 245 G CA 0.328 45.068 45.100 -0.600 0.000 0.650 245 G HN 0.348 nan 8.290 nan 0.000 0.527 246 R N 0.614 120.998 120.500 -0.194 0.000 2.073 246 R HA 0.110 4.561 4.340 0.184 0.000 0.229 246 R C 1.487 177.711 176.300 -0.127 0.000 1.120 246 R CA 1.818 57.877 56.100 -0.068 0.000 0.967 246 R CB -0.840 29.446 30.300 -0.023 0.000 0.862 246 R HN 0.798 nan 8.270 nan 0.000 0.436 247 T N -2.571 111.812 114.554 -0.285 0.000 2.876 247 T HA 0.552 5.012 4.350 0.184 0.000 0.289 247 T C -0.919 173.534 174.700 -0.413 0.000 1.014 247 T CA -0.788 61.186 62.100 -0.211 0.000 0.986 247 T CB 1.737 70.545 68.868 -0.100 0.000 1.021 247 T HN 0.103 nan 8.240 nan 0.000 0.458 248 W N 2.375 123.647 121.300 -0.047 0.000 2.600 248 W HA 0.595 5.365 4.660 0.184 0.000 0.325 248 W C 0.338 176.760 176.519 -0.160 0.000 1.034 248 W CA -1.018 56.275 57.345 -0.087 0.000 1.226 248 W CB 1.592 31.046 29.460 -0.011 0.000 1.379 248 W HN 0.758 nan 8.180 nan 0.000 0.466 249 R N 2.037 122.471 120.500 -0.109 0.000 2.778 249 R HA 0.969 5.420 4.340 0.184 0.000 0.277 249 R C -0.596 175.496 176.300 -0.348 0.000 0.977 249 R CA -1.187 54.764 56.100 -0.248 0.000 0.950 249 R CB 1.473 31.554 30.300 -0.365 0.000 1.165 249 R HN 0.429 nan 8.270 nan 0.000 0.474 250 A N 1.113 123.831 122.820 -0.170 0.000 2.312 250 A HA 0.702 5.132 4.320 0.184 0.000 0.328 250 A C 0.075 177.710 177.584 0.086 0.000 1.158 250 A CA -0.281 51.737 52.037 -0.031 0.000 0.821 250 A CB 1.325 20.360 19.000 0.058 0.000 1.170 250 A HN 0.855 nan 8.150 nan 0.000 0.490 251 G N -0.048 108.933 108.800 0.302 0.000 2.606 251 G HA2 0.520 4.591 3.960 0.184 0.000 0.262 251 G HA3 0.520 4.591 3.960 0.184 0.000 0.262 251 G C -0.558 174.534 174.900 0.319 0.000 1.394 251 G CA -0.575 44.771 45.100 0.410 0.000 1.044 251 G HN 0.741 nan 8.290 nan 0.000 0.553 252 E N 0.048 120.426 120.200 0.298 0.000 2.290 252 E HA 0.460 4.921 4.350 0.184 0.000 0.277 252 E C 0.549 177.317 176.600 0.280 0.000 1.035 252 E CA -0.104 56.463 56.400 0.278 0.000 0.873 252 E CB 1.250 31.078 29.700 0.214 0.000 1.029 252 E HN 0.598 nan 8.360 nan 0.000 0.419 253 A N 2.863 125.847 122.820 0.274 0.000 2.425 253 A HA 0.408 4.839 4.320 0.184 0.000 0.242 253 A C -0.237 177.413 177.584 0.110 0.000 1.077 253 A CA -0.476 51.638 52.037 0.128 0.000 0.781 253 A CB 0.405 19.382 19.000 -0.038 0.000 1.020 253 A HN 0.407 nan 8.150 nan 0.000 0.494 254 V N -0.084 119.855 119.914 0.041 0.000 2.962 254 V HA 0.865 5.096 4.120 0.184 0.000 0.313 254 V C 0.705 176.805 176.094 0.009 0.000 1.099 254 V CA -0.205 62.123 62.300 0.047 0.000 0.971 254 V CB 0.549 32.391 31.823 0.032 0.000 1.028 254 V HN 2.502 nan 8.190 nan 0.000 0.430 255 G N 0.623 109.441 108.800 0.030 0.000 2.806 255 G HA2 0.105 4.176 3.960 0.184 0.000 0.236 255 G HA3 0.105 4.176 3.960 0.184 0.000 0.236 255 G C -0.734 174.185 174.900 0.031 0.000 1.387 255 G CA 0.112 45.227 45.100 0.025 0.000 0.884 255 G HN 1.812 nan 8.290 nan 0.000 0.560 256 V N -0.071 119.864 119.914 0.036 0.000 2.808 256 V HA 0.737 4.968 4.120 0.184 0.000 0.308 256 V C 1.065 177.185 176.094 0.043 0.000 1.099 256 V CA 1.453 63.780 62.300 0.045 0.000 0.920 256 V CB 1.242 33.085 31.823 0.034 0.000 1.014 256 V HN 3.083 nan 8.190 nan 0.000 0.425 257 G N 5.814 114.646 108.800 0.054 0.000 2.176 257 G HA2 -0.184 3.886 3.960 0.184 0.000 0.252 257 G HA3 -0.184 3.886 3.960 0.184 0.000 0.252 257 G C 0.041 174.983 174.900 0.069 0.000 1.024 257 G CA 0.650 45.760 45.100 0.018 0.000 0.755 257 G HN 0.607 nan 8.290 nan 0.000 0.507 258 M N -0.654 119.022 119.600 0.127 0.000 1.960 258 M HA 0.676 5.266 4.480 0.184 0.000 0.229 258 M C 0.710 177.127 176.300 0.195 0.000 1.234 258 M CA -0.206 55.158 55.300 0.107 0.000 0.952 258 M CB 0.383 33.014 32.600 0.050 0.000 1.294 258 M HN 0.290 nan 8.290 nan 0.000 0.514 259 D N -1.125 119.335 120.400 0.101 0.000 3.861 259 D HA 0.085 4.835 4.640 0.184 0.000 0.364 259 D C -1.328 174.927 176.300 -0.074 0.000 1.563 259 D CA -0.405 53.655 54.000 0.101 0.000 0.940 259 D CB 0.442 41.339 40.800 0.162 0.000 1.496 259 D HN 0.519 nan 8.370 nan 0.000 0.588 260 E N 0.949 121.083 120.200 -0.110 0.000 2.905 260 E HA 0.063 4.523 4.350 0.184 0.000 0.240 260 E C -0.191 176.298 176.600 -0.184 0.000 0.990 260 E CA 0.628 56.889 56.400 -0.232 0.000 0.954 260 E CB -0.633 28.951 29.700 -0.192 0.000 0.908 260 E HN 0.250 nan 8.360 nan 0.000 0.532 261 N N 2.243 120.813 118.700 -0.216 0.000 2.402 261 N HA 0.496 5.347 4.740 0.184 0.000 0.294 261 N C -0.956 174.462 175.510 -0.154 0.000 1.203 261 N CA -1.103 51.851 53.050 -0.160 0.000 0.838 261 N CB 1.571 39.956 38.487 -0.169 0.000 1.306 261 N HN -0.004 nan 8.380 nan 0.000 0.510 262 K N 0.158 120.501 120.400 -0.094 0.000 2.469 262 K HA 0.517 4.947 4.320 0.184 0.000 0.254 262 K C -1.150 175.439 176.600 -0.018 0.000 0.939 262 K CA -0.611 55.643 56.287 -0.054 0.000 0.812 262 K CB 1.943 34.437 32.500 -0.009 0.000 1.301 262 K HN 0.906 nan 8.250 nan 0.000 0.433 263 T N -1.950 112.606 114.554 0.002 0.000 2.887 263 T HA 0.806 5.266 4.350 0.184 0.000 0.288 263 T C -0.184 174.565 174.700 0.082 0.000 1.021 263 T CA -0.787 61.343 62.100 0.050 0.000 1.000 263 T CB 1.457 70.352 68.868 0.045 0.000 1.034 263 T HN 0.206 nan 8.240 nan 0.000 0.467 264 V N 0.061 120.044 119.914 0.114 0.000 2.971 264 V HA 0.567 4.797 4.120 0.184 0.000 0.309 264 V C -0.521 175.644 176.094 0.119 0.000 1.130 264 V CA -1.126 61.243 62.300 0.115 0.000 0.964 264 V CB 1.946 33.854 31.823 0.141 0.000 1.029 264 V HN 1.067 nan 8.190 nan 0.000 0.427 265 E N 2.309 122.564 120.200 0.093 0.000 2.167 265 E HA 0.535 4.995 4.350 0.184 0.000 0.284 265 E C -0.809 175.875 176.600 0.140 0.000 1.016 265 E CA -0.417 56.041 56.400 0.098 0.000 0.817 265 E CB 1.113 30.819 29.700 0.011 0.000 1.080 265 E HN 0.561 nan 8.360 nan 0.000 0.397 266 L N 2.138 123.465 121.223 0.174 0.000 2.482 266 L HA 0.050 4.501 4.340 0.184 0.000 0.242 266 L C 1.986 179.017 176.870 0.269 0.000 1.210 266 L CA -0.024 54.923 54.840 0.178 0.000 0.819 266 L CB 0.460 42.599 42.059 0.133 0.000 1.203 266 L HN 0.649 nan 8.230 nan 0.000 0.495 267 S N -0.814 115.008 115.700 0.203 0.000 2.447 267 S HA -0.148 4.433 4.470 0.184 0.000 0.233 267 S C 0.935 175.556 174.600 0.035 0.000 1.006 267 S CA 1.038 59.349 58.200 0.185 0.000 0.957 267 S CB -0.426 62.829 63.200 0.091 0.000 0.773 267 S HN 0.826 nan 8.310 nan 0.000 0.507 268 D N -0.475 119.959 120.400 0.056 0.000 2.363 268 D HA 0.346 5.096 4.640 0.184 0.000 0.214 268 D C 1.372 177.706 176.300 0.056 0.000 1.093 268 D CA 0.460 54.453 54.000 -0.010 0.000 0.837 268 D CB -0.296 40.505 40.800 0.001 0.000 0.948 268 D HN 0.554 nan 8.370 nan 0.000 0.507 269 G N 0.321 109.258 108.800 0.229 0.000 2.213 269 G HA2 -0.296 3.775 3.960 0.184 0.000 0.236 269 G HA3 -0.296 3.775 3.960 0.184 0.000 0.236 269 G C 0.432 175.444 174.900 0.186 0.000 0.991 269 G CA -0.249 45.026 45.100 0.293 0.000 0.629 269 G HN 0.394 nan 8.290 nan 0.000 0.517 270 R N -0.012 120.569 120.500 0.135 0.000 2.734 270 R HA 0.399 4.850 4.340 0.184 0.000 0.266 270 R C -0.023 176.357 176.300 0.134 0.000 1.044 270 R CA 0.361 56.522 56.100 0.102 0.000 1.128 270 R CB 0.850 31.199 30.300 0.080 0.000 1.010 270 R HN 0.136 nan 8.270 nan 0.000 0.461 271 V N 4.873 124.869 119.914 0.137 0.000 2.334 271 V HA 0.201 4.432 4.120 0.184 0.000 0.281 271 V C -0.289 175.962 176.094 0.263 0.000 1.016 271 V CA -0.745 61.671 62.300 0.194 0.000 0.832 271 V CB 1.196 33.160 31.823 0.234 0.000 0.999 271 V HN 0.479 nan 8.190 nan 0.000 0.439 272 L N 5.775 127.133 121.223 0.226 0.000 2.334 272 L HA 0.661 5.112 4.340 0.184 0.000 0.277 272 L C -0.610 176.383 176.870 0.205 0.000 1.075 272 L CA 0.039 55.014 54.840 0.225 0.000 0.804 272 L CB 1.370 43.532 42.059 0.171 0.000 1.174 272 L HN 0.676 nan 8.230 nan 0.000 0.438 273 L N 4.730 126.041 121.223 0.147 0.000 2.341 273 L HA 0.553 5.004 4.340 0.184 0.000 0.278 273 L C -1.176 175.693 176.870 -0.002 0.000 1.005 273 L CA -0.395 54.432 54.840 -0.023 0.000 0.818 273 L CB 1.528 43.375 42.059 -0.353 0.000 1.259 273 L HN 0.823 nan 8.230 nan 0.000 0.418 274 N N 2.411 121.114 118.700 0.004 0.000 2.491 274 N HA 0.366 5.217 4.740 0.184 0.000 0.274 274 N C -1.586 173.931 175.510 0.011 0.000 1.023 274 N CA -0.209 52.861 53.050 0.033 0.000 0.902 274 N CB 1.695 40.250 38.487 0.115 0.000 1.267 274 N HN 0.516 nan 8.380 nan 0.000 0.503 275 S N 1.831 117.527 115.700 -0.007 0.000 2.537 275 S HA 0.431 5.012 4.470 0.184 0.000 0.301 275 S C -0.402 174.202 174.600 0.007 0.000 1.092 275 S CA -0.796 57.393 58.200 -0.019 0.000 1.048 275 S CB 0.882 64.058 63.200 -0.040 0.000 1.053 275 S HN 0.567 nan 8.310 nan 0.000 0.501 276 R N 1.664 122.159 120.500 -0.008 0.000 2.641 276 R HA 0.146 4.597 4.340 0.184 0.000 0.269 276 R C -1.106 175.210 176.300 0.027 0.000 1.074 276 R CA -0.057 56.046 56.100 0.006 0.000 1.133 276 R CB 0.417 30.710 30.300 -0.011 0.000 1.029 276 R HN 0.582 nan 8.270 nan 0.000 0.488 277 D N 1.090 121.511 120.400 0.035 0.000 2.453 277 D HA 0.093 4.843 4.640 0.184 0.000 0.238 277 D C 0.623 176.945 176.300 0.036 0.000 1.088 277 D CA -0.373 53.651 54.000 0.040 0.000 0.854 277 D CB 1.571 42.397 40.800 0.043 0.000 1.076 277 D HN 0.519 nan 8.370 nan 0.000 0.533 278 S N 2.398 118.123 115.700 0.043 0.000 2.447 278 S HA -0.105 4.475 4.470 0.184 0.000 0.233 278 S C 1.773 176.350 174.600 -0.038 0.000 1.006 278 S CA 0.575 58.781 58.200 0.009 0.000 0.957 278 S CB -0.104 63.081 63.200 -0.025 0.000 0.773 278 S HN 0.437 nan 8.310 nan 0.000 0.507 279 A N 1.459 124.264 122.820 -0.025 0.000 2.261 279 A HA 0.260 4.690 4.320 0.184 0.000 0.208 279 A C 0.777 178.367 177.584 0.010 0.000 1.223 279 A CA -0.388 51.639 52.037 -0.016 0.000 0.833 279 A CB -0.770 18.229 19.000 -0.002 0.000 0.830 279 A HN 0.492 nan 8.150 nan 0.000 0.483 280 R N -0.277 120.226 120.500 0.006 0.000 2.965 280 R HA -0.176 4.274 4.340 0.184 0.000 0.245 280 R C 0.915 177.226 176.300 0.020 0.000 0.861 280 R CA 0.597 56.700 56.100 0.006 0.000 0.614 280 R CB -2.149 28.146 30.300 -0.007 0.000 1.229 280 R HN 0.771 nan 8.270 nan 0.000 0.503 281 S N -0.691 115.034 115.700 0.041 0.000 2.575 281 S HA 0.183 4.764 4.470 0.184 0.000 0.215 281 S C 1.410 176.020 174.600 0.016 0.000 0.966 281 S CA 0.314 58.562 58.200 0.081 0.000 0.911 281 S CB 1.050 64.341 63.200 0.152 0.000 0.780 281 S HN 1.007 nan 8.310 nan 0.000 0.514 282 G N 0.043 108.783 108.800 -0.099 0.000 2.147 282 G HA2 -0.225 3.846 3.960 0.184 0.000 0.244 282 G HA3 -0.225 3.846 3.960 0.184 0.000 0.244 282 G C -0.239 174.286 174.900 -0.626 0.000 1.005 282 G CA 0.470 45.371 45.100 -0.331 0.000 0.713 282 G HN 0.561 nan 8.290 nan 0.000 0.515 283 Y N -1.567 118.724 120.300 -0.015 0.000 2.689 283 Y HA 0.759 5.418 4.550 0.182 0.000 0.333 283 Y C 0.385 176.268 175.900 -0.027 0.000 1.190 283 Y CA -1.428 56.654 58.100 -0.029 0.000 1.063 283 Y CB 0.837 39.276 38.460 -0.034 0.000 1.294 283 Y HN 0.048 nan 8.280 nan 0.000 0.466 284 R N 1.342 121.934 120.500 0.153 0.000 2.457 284 R HA 0.433 4.884 4.340 0.184 0.000 0.284 284 R C -0.933 175.391 176.300 0.040 0.000 1.024 284 R CA -0.797 55.337 56.100 0.057 0.000 1.025 284 R CB 1.007 31.294 30.300 -0.022 0.000 1.063 284 R HN 0.582 nan 8.270 nan 0.000 0.493 285 K N 1.686 122.102 120.400 0.026 0.000 2.159 285 K HA 0.414 4.844 4.320 0.184 0.000 0.266 285 K C -0.125 176.475 176.600 0.001 0.000 0.975 285 K CA -0.719 55.576 56.287 0.014 0.000 0.865 285 K CB 1.877 34.386 32.500 0.015 0.000 1.087 285 K HN 0.418 nan 8.250 nan 0.000 0.446 286 V N -1.485 118.433 119.914 0.006 0.000 2.823 286 V HA 0.953 5.184 4.120 0.184 0.000 0.312 286 V C -0.769 175.347 176.094 0.037 0.000 1.072 286 V CA -0.905 61.407 62.300 0.019 0.000 0.937 286 V CB 1.610 33.454 31.823 0.035 0.000 1.013 286 V HN 0.882 nan 8.190 nan 0.000 0.430 287 A N 2.386 125.241 122.820 0.058 0.000 2.587 287 A HA 0.944 5.375 4.320 0.184 0.000 0.293 287 A C -1.237 176.499 177.584 0.253 0.000 1.087 287 A CA -0.453 51.659 52.037 0.124 0.000 0.692 287 A CB 2.093 21.148 19.000 0.090 0.000 1.291 287 A HN 1.984 nan 8.150 nan 0.000 0.407 288 V N 0.241 120.337 119.914 0.303 0.000 3.040 288 V HA 0.897 5.128 4.120 0.184 0.000 0.312 288 V C -0.302 175.891 176.094 0.166 0.000 1.115 288 V CA 0.131 62.608 62.300 0.296 0.000 0.998 288 V CB 2.316 34.234 31.823 0.158 0.000 1.042 288 V HN 1.570 nan 8.190 nan 0.000 0.433 289 S N 1.583 117.266 115.700 -0.028 0.000 2.570 289 S HA 0.649 5.229 4.470 0.184 0.000 0.286 289 S C 0.139 174.651 174.600 -0.146 0.000 1.099 289 S CA 0.232 58.254 58.200 -0.297 0.000 0.913 289 S CB 1.988 64.691 63.200 -0.829 0.000 1.085 289 S HN 1.246 nan 8.310 nan 0.000 0.480 290 T N -0.322 114.127 114.554 -0.175 0.000 3.200 290 T HA 0.338 4.799 4.350 0.184 0.000 0.284 290 T C -0.230 174.372 174.700 -0.164 0.000 1.009 290 T CA -0.229 61.805 62.100 -0.110 0.000 0.907 290 T CB -0.327 68.504 68.868 -0.062 0.000 1.120 290 T HN 0.673 nan 8.240 nan 0.000 0.534 291 D N 0.136 120.320 120.400 -0.359 0.000 2.758 291 D HA 0.569 5.320 4.640 0.184 0.000 0.279 291 D C 0.121 175.928 176.300 -0.821 0.000 1.111 291 D CA -0.903 52.840 54.000 -0.427 0.000 1.109 291 D CB 0.893 41.497 40.800 -0.327 0.000 1.428 291 D HN 0.090 nan 8.370 nan 0.000 0.586 292 G N -2.192 106.139 108.800 -0.781 0.000 4.855 292 G HA2 0.517 4.588 3.960 0.184 0.000 0.275 292 G HA3 0.517 4.588 3.960 0.184 0.000 0.275 292 G C 0.085 174.602 174.900 -0.638 0.000 1.282 292 G CA -0.277 44.022 45.100 -1.334 0.000 0.930 292 G HN 0.799 nan 8.290 nan 0.000 0.575 293 G N -0.256 108.285 108.800 -0.430 0.000 4.731 293 G HA2 0.139 4.210 3.960 0.184 0.000 0.224 293 G HA3 0.139 4.210 3.960 0.184 0.000 0.224 293 G C 0.221 175.124 174.900 0.004 0.000 0.955 293 G CA -0.554 44.508 45.100 -0.064 0.000 0.809 293 G HN 0.444 nan 8.290 nan 0.000 0.307 294 H N 1.579 120.516 119.070 -0.220 0.000 1.994 294 H HA -0.154 4.513 4.556 0.184 0.000 0.281 294 H C 0.222 175.523 175.328 -0.045 0.000 0.726 294 H CA 1.804 57.741 56.048 -0.186 0.000 0.946 294 H CB -0.453 29.177 29.762 -0.220 0.000 1.427 294 H HN 0.671 nan 8.280 nan 0.000 0.238 295 S N 3.573 119.220 115.700 -0.088 0.000 2.546 295 S HA 0.657 5.237 4.470 0.184 0.000 0.274 295 S C -1.147 173.346 174.600 -0.178 0.000 1.121 295 S CA -1.049 57.157 58.200 0.010 0.000 0.887 295 S CB 2.195 65.409 63.200 0.023 0.000 1.094 295 S HN 0.351 nan 8.310 nan 0.000 0.474 296 Y N 0.746 121.102 120.300 0.093 0.000 2.446 296 Y HA 0.722 5.382 4.550 0.184 0.000 0.338 296 Y C 1.244 177.178 175.900 0.056 0.000 1.055 296 Y CA -0.173 57.974 58.100 0.078 0.000 1.101 296 Y CB 1.510 40.017 38.460 0.078 0.000 1.221 296 Y HN 1.049 nan 8.280 nan 0.000 0.460 297 G N 1.687 110.590 108.800 0.172 0.000 2.481 297 G HA2 0.276 4.347 3.960 0.184 0.000 0.251 297 G HA3 0.276 4.347 3.960 0.184 0.000 0.251 297 G C -2.332 172.639 174.900 0.117 0.000 1.492 297 G CA -1.026 44.140 45.100 0.111 0.000 1.060 297 G HN 0.451 nan 8.290 nan 0.000 0.553 298 P HA 0.223 nan 4.420 nan 0.000 0.269 298 P C -0.588 176.753 177.300 0.068 0.000 1.215 298 P CA -0.179 62.961 63.100 0.067 0.000 0.780 298 P CB 1.227 32.955 31.700 0.047 0.000 0.898 299 V N 2.513 122.459 119.914 0.053 0.000 2.539 299 V HA 0.488 4.718 4.120 0.184 0.000 0.292 299 V C 0.808 176.919 176.094 0.027 0.000 1.045 299 V CA 0.101 62.425 62.300 0.039 0.000 0.945 299 V CB 1.286 33.126 31.823 0.027 0.000 0.993 299 V HN 0.906 nan 8.190 nan 0.000 0.464 300 T N 1.760 116.326 114.554 0.020 0.000 2.864 300 T HA 0.724 5.185 4.350 0.184 0.000 0.299 300 T C -0.877 173.821 174.700 -0.004 0.000 1.166 300 T CA -0.725 61.379 62.100 0.006 0.000 1.007 300 T CB 1.615 70.485 68.868 0.003 0.000 1.219 300 T HN 0.166 nan 8.240 nan 0.000 0.506 301 I N 2.095 122.651 120.570 -0.023 0.000 2.395 301 I HA 0.369 4.650 4.170 0.184 0.000 0.289 301 I C -0.052 176.005 176.117 -0.100 0.000 1.023 301 I CA -0.017 61.258 61.300 -0.042 0.000 1.350 301 I CB 1.028 39.001 38.000 -0.046 0.000 1.409 301 I HN 0.662 nan 8.210 nan 0.000 0.507 302 D N 5.043 125.385 120.400 -0.098 0.000 2.329 302 D HA 0.241 4.991 4.640 0.184 0.000 0.232 302 D C 0.851 177.004 176.300 -0.246 0.000 1.088 302 D CA -0.388 53.539 54.000 -0.123 0.000 0.835 302 D CB 0.951 41.705 40.800 -0.077 0.000 1.078 302 D HN 0.269 nan 8.370 nan 0.000 0.495 303 R N 1.799 122.092 120.500 -0.344 0.000 2.299 303 R HA 0.071 4.521 4.340 0.184 0.000 0.197 303 R C 0.613 176.818 176.300 -0.158 0.000 0.971 303 R CA 0.577 56.340 56.100 -0.562 0.000 1.030 303 R CB 0.389 30.401 30.300 -0.479 0.000 0.932 303 R HN 0.414 nan 8.270 nan 0.000 0.477 304 D N -0.316 120.042 120.400 -0.069 0.000 2.340 304 D HA 0.011 4.761 4.640 0.184 0.000 0.220 304 D C -0.125 176.122 176.300 -0.088 0.000 1.039 304 D CA 0.553 54.547 54.000 -0.009 0.000 0.866 304 D CB 0.535 41.388 40.800 0.087 0.000 0.913 304 D HN 0.202 nan 8.370 nan 0.000 0.523 305 L N 2.940 124.116 121.223 -0.079 0.000 2.408 305 L HA 0.303 4.753 4.340 0.184 0.000 0.257 305 L C -2.521 174.408 176.870 0.098 0.000 1.053 305 L CA -1.700 53.051 54.840 -0.149 0.000 0.922 305 L CB 1.767 43.553 42.059 -0.455 0.000 1.261 305 L HN -0.339 nan 8.230 nan 0.000 0.458 306 P HA 0.196 nan 4.420 nan 0.000 0.275 306 P C -1.185 176.061 177.300 -0.091 0.000 1.227 306 P CA 0.015 63.036 63.100 -0.131 0.000 0.781 306 P CB 1.926 33.546 31.700 -0.133 0.000 0.906 307 D N 2.572 122.884 120.400 -0.147 0.000 2.927 307 D HA 0.240 4.990 4.640 0.184 0.000 0.219 307 D C -2.296 173.948 176.300 -0.093 0.000 1.248 307 D CA -1.865 52.095 54.000 -0.067 0.000 0.861 307 D CB 1.753 42.555 40.800 0.003 0.000 1.677 307 D HN 0.108 nan 8.370 nan 0.000 0.511 308 P HA 0.147 nan 4.420 nan 0.000 0.253 308 P C -0.858 176.428 177.300 -0.023 0.000 1.508 308 P CA 0.047 63.114 63.100 -0.054 0.000 0.883 308 P CB -0.146 31.530 31.700 -0.040 0.000 1.519 309 T N -0.780 113.765 114.554 -0.016 0.000 3.245 309 T HA -0.166 4.294 4.350 0.184 0.000 0.434 309 T C -0.383 174.333 174.700 0.026 0.000 0.770 309 T CA 0.736 62.841 62.100 0.008 0.000 2.278 309 T CB -2.083 66.792 68.868 0.012 0.000 1.692 309 T HN 0.537 nan 8.240 nan 0.000 0.677 310 N N 0.367 119.071 118.700 0.006 0.000 2.853 310 N HA 0.400 5.251 4.740 0.184 0.000 0.258 310 N C -0.496 174.934 175.510 -0.133 0.000 1.444 310 N CA -0.950 52.100 53.050 0.001 0.000 0.837 310 N CB 1.481 39.989 38.487 0.036 0.000 1.489 310 N HN 0.440 nan 8.380 nan 0.000 0.529 311 N N -0.578 117.891 118.700 -0.384 0.000 2.381 311 N HA 0.599 5.450 4.740 0.184 0.000 0.254 311 N C -1.388 173.937 175.510 -0.308 0.000 1.264 311 N CA -0.188 52.557 53.050 -0.508 0.000 0.942 311 N CB 0.870 38.701 38.487 -1.093 0.000 1.190 311 N HN 0.557 nan 8.380 nan 0.000 0.495 312 A N 0.181 122.836 122.820 -0.275 0.000 2.597 312 A HA 0.421 4.851 4.320 0.184 0.000 0.292 312 A C -1.356 176.051 177.584 -0.296 0.000 1.057 312 A CA -0.599 51.245 52.037 -0.322 0.000 0.674 312 A CB 1.259 20.016 19.000 -0.405 0.000 1.278 312 A HN 0.459 nan 8.150 nan 0.000 0.416 313 S N -0.053 115.422 115.700 -0.375 0.000 2.549 313 S HA 0.831 5.411 4.470 0.184 0.000 0.297 313 S C -0.838 173.659 174.600 -0.173 0.000 1.115 313 S CA -0.440 57.639 58.200 -0.202 0.000 1.059 313 S CB 0.715 63.849 63.200 -0.111 0.000 1.046 313 S HN 1.194 nan 8.310 nan 0.000 0.506 314 I N 5.650 126.254 120.570 0.058 0.000 2.563 314 I HA 0.483 4.764 4.170 0.184 0.000 0.285 314 I C -1.161 175.059 176.117 0.172 0.000 1.123 314 I CA -0.718 60.726 61.300 0.239 0.000 1.059 314 I CB 0.837 39.084 38.000 0.413 0.000 1.229 314 I HN 0.780 nan 8.210 nan 0.000 0.442 315 I N 3.903 124.570 120.570 0.161 0.000 3.108 315 I HA 0.630 4.911 4.170 0.184 0.000 0.312 315 I C -0.814 175.369 176.117 0.109 0.000 1.095 315 I CA -1.078 60.294 61.300 0.120 0.000 1.000 315 I CB 1.781 39.840 38.000 0.098 0.000 1.229 315 I HN 0.359 nan 8.210 nan 0.000 0.454 316 R N 2.169 122.722 120.500 0.088 0.000 2.298 316 R HA 0.401 4.852 4.340 0.184 0.000 0.310 316 R C 0.719 177.028 176.300 0.015 0.000 1.068 316 R CA 0.209 56.350 56.100 0.068 0.000 0.957 316 R CB 1.560 31.909 30.300 0.082 0.000 1.003 316 R HN 0.970 nan 8.270 nan 0.000 0.454 317 A N 3.930 126.688 122.820 -0.103 0.000 1.969 317 A HA -0.069 4.361 4.320 0.184 0.000 0.218 317 A C 0.303 177.576 177.584 -0.519 0.000 1.169 317 A CA 1.148 52.988 52.037 -0.329 0.000 0.635 317 A CB 0.017 18.661 19.000 -0.592 0.000 0.810 317 A HN 0.529 nan 8.150 nan 0.000 0.445 318 F N -0.232 119.826 119.950 0.181 0.000 2.453 318 F HA 0.328 4.960 4.527 0.176 0.000 0.358 318 F C -1.580 174.288 175.800 0.114 0.000 1.129 318 F CA -2.588 55.497 58.000 0.142 0.000 1.200 318 F CB 1.126 40.200 39.000 0.124 0.000 1.431 318 F HN 0.045 nan 8.300 nan 0.000 0.503 319 P HA -0.174 nan 4.420 nan 0.000 0.216 319 P C 0.340 177.700 177.300 0.101 0.000 1.150 319 P CA 1.558 64.723 63.100 0.108 0.000 0.837 319 P CB 0.477 32.223 31.700 0.077 0.000 0.786 320 D N -0.371 120.110 120.400 0.135 0.000 2.358 320 D HA 0.246 4.996 4.640 0.184 0.000 0.224 320 D C 0.782 177.176 176.300 0.156 0.000 1.123 320 D CA -0.032 54.040 54.000 0.120 0.000 0.833 320 D CB 0.216 41.073 40.800 0.096 0.000 0.946 320 D HN 0.160 nan 8.370 nan 0.000 0.505 321 A N 2.315 125.259 122.820 0.208 0.000 2.351 321 A HA 0.421 4.852 4.320 0.184 0.000 0.257 321 A C -2.029 175.705 177.584 0.250 0.000 1.087 321 A CA -0.903 51.255 52.037 0.203 0.000 0.798 321 A CB 0.157 19.295 19.000 0.231 0.000 1.033 321 A HN -0.047 nan 8.150 nan 0.000 0.488 322 P HA 0.361 nan 4.420 nan 0.000 0.276 322 P C -0.304 177.014 177.300 0.029 0.000 1.244 322 P CA -0.100 63.077 63.100 0.129 0.000 0.801 322 P CB 0.835 32.565 31.700 0.050 0.000 1.006 323 A N 1.094 123.765 122.820 -0.248 0.000 2.511 323 A HA 0.439 4.869 4.320 0.184 0.000 0.242 323 A C 1.466 178.907 177.584 -0.239 0.000 1.069 323 A CA 0.797 52.483 52.037 -0.584 0.000 0.763 323 A CB -1.313 17.123 19.000 -0.941 0.000 1.001 323 A HN 0.889 nan 8.150 nan 0.000 0.498 324 G N 1.223 109.925 108.800 -0.165 0.000 2.299 324 G HA2 -0.223 3.847 3.960 0.184 0.000 0.237 324 G HA3 -0.223 3.847 3.960 0.184 0.000 0.237 324 G C 0.855 175.738 174.900 -0.030 0.000 1.027 324 G CA 0.942 45.995 45.100 -0.080 0.000 0.619 324 G HN 2.229 nan 8.290 nan 0.000 0.513 325 S N 0.769 116.460 115.700 -0.014 0.000 2.589 325 S HA 0.661 5.241 4.470 0.184 0.000 0.265 325 S C 1.816 176.434 174.600 0.029 0.000 1.342 325 S CA 0.626 58.830 58.200 0.007 0.000 1.005 325 S CB 1.539 64.748 63.200 0.015 0.000 0.909 325 S HN 1.809 nan 8.310 nan 0.000 0.555 326 A N 2.124 124.955 122.820 0.019 0.000 1.877 326 A HA -0.091 4.339 4.320 0.184 0.000 0.216 326 A C 2.405 180.034 177.584 0.075 0.000 1.186 326 A CA 1.312 53.369 52.037 0.032 0.000 0.620 326 A CB -0.780 18.227 19.000 0.010 0.000 0.822 326 A HN 0.895 nan 8.150 nan 0.000 0.443 327 R N -0.657 119.872 120.500 0.048 0.000 2.127 327 R HA -0.113 4.338 4.340 0.184 0.000 0.238 327 R C 2.288 178.783 176.300 0.325 0.000 1.134 327 R CA 1.134 57.306 56.100 0.121 0.000 0.975 327 R CB -0.455 29.741 30.300 -0.175 0.000 0.865 327 R HN 0.531 nan 8.270 nan 0.000 0.447 328 A N 1.231 124.180 122.820 0.215 0.000 2.121 328 A HA -0.112 4.318 4.320 0.184 0.000 0.218 328 A C 1.544 179.248 177.584 0.201 0.000 1.154 328 A CA 1.039 53.223 52.037 0.245 0.000 0.679 328 A CB -0.049 19.089 19.000 0.231 0.000 0.795 328 A HN 0.204 nan 8.150 nan 0.000 0.458 329 K N -0.249 120.243 120.400 0.153 0.000 2.404 329 K HA 0.188 4.619 4.320 0.184 0.000 0.194 329 K C -0.526 176.117 176.600 0.072 0.000 1.023 329 K CA -0.022 56.320 56.287 0.093 0.000 1.094 329 K CB 0.515 33.044 32.500 0.050 0.000 0.841 329 K HN 0.251 nan 8.250 nan 0.000 0.523 330 V N 3.614 123.611 119.914 0.139 0.000 2.368 330 V HA 0.127 4.357 4.120 0.184 0.000 0.266 330 V C -0.209 175.907 176.094 0.036 0.000 1.045 330 V CA -0.437 61.922 62.300 0.098 0.000 0.899 330 V CB 0.622 32.581 31.823 0.227 0.000 1.006 330 V HN 0.084 nan 8.190 nan 0.000 0.470 331 L N 6.000 127.223 121.223 -0.001 0.000 2.334 331 L HA 0.632 5.083 4.340 0.184 0.000 0.272 331 L C -0.143 176.827 176.870 0.167 0.000 1.020 331 L CA -0.553 54.336 54.840 0.082 0.000 0.812 331 L CB 1.694 43.838 42.059 0.142 0.000 1.264 331 L HN 0.435 nan 8.230 nan 0.000 0.439 332 L N 2.402 123.751 121.223 0.211 0.000 2.362 332 L HA 0.500 4.950 4.340 0.184 0.000 0.275 332 L C -1.267 175.819 176.870 0.360 0.000 0.998 332 L CA -0.472 54.507 54.840 0.231 0.000 0.820 332 L CB 2.317 44.370 42.059 -0.010 0.000 1.270 332 L HN 0.405 nan 8.230 nan 0.000 0.415 333 F N 2.742 122.817 119.950 0.208 0.000 2.556 333 F HA 0.607 5.241 4.527 0.178 0.000 0.314 333 F C -0.371 175.453 175.800 0.040 0.000 1.106 333 F CA -0.397 57.636 58.000 0.054 0.000 0.911 333 F CB 2.064 40.933 39.000 -0.219 0.000 1.190 333 F HN 0.406 nan 8.300 nan 0.000 0.448 334 S N 5.701 121.073 115.700 -0.546 0.000 2.521 334 S HA 0.841 5.421 4.470 0.184 0.000 0.295 334 S C -1.296 172.968 174.600 -0.560 0.000 1.098 334 S CA -0.586 57.436 58.200 -0.296 0.000 0.999 334 S CB 2.127 65.283 63.200 -0.074 0.000 1.034 334 S HN 1.018 nan 8.310 nan 0.000 0.483 335 N N 0.479 119.038 118.700 -0.235 0.000 3.339 335 N HA 0.428 5.278 4.740 0.184 0.000 0.275 335 N C -1.838 173.627 175.510 -0.075 0.000 1.514 335 N CA -0.583 52.359 53.050 -0.180 0.000 0.879 335 N CB 0.973 39.333 38.487 -0.212 0.000 1.557 335 N HN 0.985 nan 8.380 nan 0.000 0.524 336 A N -0.221 122.558 122.820 -0.068 0.000 2.252 336 A HA 0.724 5.155 4.320 0.184 0.000 0.309 336 A C 1.030 178.568 177.584 -0.076 0.000 1.285 336 A CA -0.020 51.959 52.037 -0.097 0.000 0.900 336 A CB 0.013 18.977 19.000 -0.059 0.000 1.157 336 A HN 0.998 nan 8.150 nan 0.000 0.536 337 A N 2.379 125.142 122.820 -0.095 0.000 2.168 337 A HA 0.179 4.609 4.320 0.184 0.000 0.215 337 A C 1.518 179.051 177.584 -0.085 0.000 1.152 337 A CA 1.133 53.127 52.037 -0.072 0.000 0.716 337 A CB -0.306 18.651 19.000 -0.072 0.000 0.794 337 A HN 0.854 nan 8.150 nan 0.000 0.465 338 S N -0.791 114.854 115.700 -0.091 0.000 2.576 338 S HA 0.197 4.778 4.470 0.184 0.000 0.276 338 S C 0.829 175.367 174.600 -0.103 0.000 1.339 338 S CA -0.261 57.884 58.200 -0.091 0.000 1.039 338 S CB 0.674 63.826 63.200 -0.080 0.000 0.902 338 S HN 0.558 nan 8.310 nan 0.000 0.516 339 Q N 1.267 120.995 119.800 -0.120 0.000 2.319 339 Q HA 0.069 4.520 4.340 0.184 0.000 0.209 339 Q C 1.461 177.399 176.000 -0.104 0.000 0.884 339 Q CA 0.671 56.387 55.803 -0.146 0.000 0.938 339 Q CB 0.457 29.072 28.738 -0.207 0.000 1.098 339 Q HN 0.931 nan 8.270 nan 0.000 0.517 340 T N -3.167 111.338 114.554 -0.081 0.000 2.985 340 T HA 0.161 4.622 4.350 0.184 0.000 0.254 340 T C 0.649 175.319 174.700 -0.050 0.000 1.021 340 T CA 0.202 62.264 62.100 -0.062 0.000 0.957 340 T CB 0.517 69.351 68.868 -0.058 0.000 1.047 340 T HN 0.101 nan 8.240 nan 0.000 0.511 341 S N 0.188 115.858 115.700 -0.051 0.000 2.579 341 S HA 0.589 5.170 4.470 0.184 0.000 0.272 341 S C -0.988 173.591 174.600 -0.035 0.000 1.141 341 S CA -1.207 56.969 58.200 -0.039 0.000 0.843 341 S CB 1.654 64.830 63.200 -0.040 0.000 1.122 341 S HN 0.225 nan 8.310 nan 0.000 0.468 342 R N 1.841 122.330 120.500 -0.018 0.000 3.657 342 R HA 0.461 4.911 4.340 0.184 0.000 0.220 342 R C -0.122 176.166 176.300 -0.019 0.000 1.548 342 R CA -0.010 56.087 56.100 -0.005 0.000 1.465 342 R CB -0.088 30.229 30.300 0.029 0.000 1.330 342 R HN 0.843 nan 8.270 nan 0.000 0.707 343 S N -0.588 115.080 115.700 -0.053 0.000 2.752 343 S HA 0.209 4.790 4.470 0.184 0.000 0.284 343 S C -0.609 173.912 174.600 -0.131 0.000 1.189 343 S CA -0.993 57.159 58.200 -0.081 0.000 0.835 343 S CB 1.677 64.838 63.200 -0.065 0.000 1.192 343 S HN 0.388 nan 8.310 nan 0.000 0.506 344 Q N -0.132 119.564 119.800 -0.173 0.000 2.459 344 Q HA -0.121 4.330 4.340 0.184 0.000 0.314 344 Q C 0.249 176.053 176.000 -0.326 0.000 1.432 344 Q CA 0.750 56.422 55.803 -0.218 0.000 0.823 344 Q CB -1.893 26.756 28.738 -0.149 0.000 1.124 344 Q HN 1.124 nan 8.270 nan 0.000 0.392 345 G N 1.656 110.118 108.800 -0.563 0.000 2.354 345 G HA2 0.344 4.415 3.960 0.184 0.000 0.266 345 G HA3 0.344 4.415 3.960 0.184 0.000 0.266 345 G C 0.299 174.567 174.900 -1.053 0.000 1.242 345 G CA 0.774 45.297 45.100 -0.962 0.000 0.923 345 G HN 0.287 nan 8.290 nan 0.000 0.476 346 T N 1.016 115.328 114.554 -0.404 0.000 2.916 346 T HA 0.569 5.029 4.350 0.184 0.000 0.298 346 T C -0.333 174.474 174.700 0.179 0.000 1.031 346 T CA -1.017 61.036 62.100 -0.077 0.000 0.993 346 T CB 1.372 70.188 68.868 -0.086 0.000 1.045 346 T HN 0.265 nan 8.240 nan 0.000 0.454 347 I N 3.628 124.345 120.570 0.244 0.000 2.331 347 I HA 0.472 4.752 4.170 0.184 0.000 0.292 347 I C 0.746 176.964 176.117 0.168 0.000 0.998 347 I CA -0.601 60.814 61.300 0.193 0.000 1.267 347 I CB 1.110 39.170 38.000 0.100 0.000 1.386 347 I HN 0.680 nan 8.210 nan 0.000 0.476 348 R N 5.366 126.012 120.500 0.242 0.000 2.787 348 R HA 0.763 5.214 4.340 0.184 0.000 0.271 348 R C -0.710 175.853 176.300 0.438 0.000 0.993 348 R CA -0.920 55.365 56.100 0.309 0.000 0.993 348 R CB 2.803 33.282 30.300 0.299 0.000 1.155 348 R HN 0.569 nan 8.270 nan 0.000 0.486 349 M N 0.847 120.705 119.600 0.431 0.000 2.393 349 M HA 0.334 4.925 4.480 0.184 0.000 0.299 349 M C -1.323 175.045 176.300 0.115 0.000 1.103 349 M CA -0.284 55.195 55.300 0.298 0.000 0.910 349 M CB 2.282 34.979 32.600 0.162 0.000 1.659 349 M HN 0.561 nan 8.290 nan 0.000 0.445 350 S N 2.257 117.841 115.700 -0.193 0.000 2.568 350 S HA 0.697 5.277 4.470 0.184 0.000 0.302 350 S C -0.337 174.122 174.600 -0.235 0.000 1.082 350 S CA -0.688 57.188 58.200 -0.539 0.000 1.009 350 S CB 1.433 63.845 63.200 -1.313 0.000 1.069 350 S HN 0.942 nan 8.310 nan 0.000 0.500 351 c N 1.713 120.198 118.600 -0.191 0.000 3.657 351 c HA 0.401 5.082 4.570 0.184 0.000 0.291 351 c C -0.057 173.994 174.090 -0.066 0.000 1.572 351 c CA -0.579 55.711 56.329 -0.065 0.000 1.818 351 c CB -1.189 41.315 42.510 -0.010 0.000 2.903 351 c HN 0.893 nan 8.230 nan 0.000 0.632 352 D N -1.019 119.302 120.400 -0.132 0.000 2.908 352 D HA 0.166 4.917 4.640 0.184 0.000 0.361 352 D C -0.123 176.113 176.300 -0.106 0.000 1.416 352 D CA -0.217 53.726 54.000 -0.095 0.000 0.796 352 D CB -0.583 40.163 40.800 -0.090 0.000 1.185 352 D HN 0.033 nan 8.370 nan 0.000 0.451 353 D N 0.099 120.440 120.400 -0.098 0.000 2.981 353 D HA -0.125 4.626 4.640 0.184 0.000 0.223 353 D C 1.264 177.507 176.300 -0.096 0.000 1.151 353 D CA 1.658 55.623 54.000 -0.058 0.000 0.827 353 D CB -1.414 39.387 40.800 0.001 0.000 1.101 353 D HN 0.768 nan 8.370 nan 0.000 0.426 354 G N -0.593 108.036 108.800 -0.286 0.000 2.141 354 G HA2 -0.372 3.699 3.960 0.184 0.000 0.231 354 G HA3 -0.372 3.699 3.960 0.184 0.000 0.231 354 G C 0.902 175.667 174.900 -0.225 0.000 0.984 354 G CA 0.682 45.580 45.100 -0.336 0.000 0.660 354 G HN 0.470 nan 8.290 nan 0.000 0.525 355 Q N -0.168 119.497 119.800 -0.225 0.000 2.096 355 Q HA 0.124 4.575 4.340 0.184 0.000 0.197 355 Q C 1.550 177.465 176.000 -0.141 0.000 0.964 355 Q CA 1.564 57.298 55.803 -0.114 0.000 0.838 355 Q CB 0.106 28.794 28.738 -0.085 0.000 0.906 355 Q HN 0.777 nan 8.270 nan 0.000 0.444 356 T N -3.631 110.746 114.554 -0.294 0.000 2.908 356 T HA 0.466 4.926 4.350 0.184 0.000 0.290 356 T C -1.263 173.152 174.700 -0.475 0.000 1.034 356 T CA -0.820 61.148 62.100 -0.219 0.000 1.010 356 T CB 1.062 69.866 68.868 -0.107 0.000 1.068 356 T HN 0.243 nan 8.240 nan 0.000 0.481 357 W N 2.045 123.335 121.300 -0.017 0.000 1.506 357 W HA 0.341 5.103 4.660 0.170 0.000 0.296 357 W C -1.766 174.758 176.519 0.009 0.000 0.847 357 W CA -1.864 55.477 57.345 -0.006 0.000 2.203 357 W CB 1.066 30.506 29.460 -0.033 0.000 2.219 357 W HN 0.624 nan 8.180 nan 0.000 0.464 358 P HA -0.134 nan 4.420 nan 0.000 0.216 358 P C 0.511 177.898 177.300 0.144 0.000 1.150 358 P CA 1.394 64.571 63.100 0.129 0.000 0.837 358 P CB 0.595 32.366 31.700 0.118 0.000 0.786 359 V N 0.799 120.804 119.914 0.151 0.000 2.567 359 V HA 0.444 4.675 4.120 0.184 0.000 0.289 359 V C 0.532 176.709 176.094 0.139 0.000 1.049 359 V CA -0.148 62.228 62.300 0.126 0.000 0.969 359 V CB 1.117 33.006 31.823 0.110 0.000 0.995 359 V HN 0.353 nan 8.190 nan 0.000 0.471 360 S N 2.973 118.715 115.700 0.069 0.000 2.552 360 S HA 0.847 5.427 4.470 0.184 0.000 0.272 360 S C -1.183 173.387 174.600 -0.050 0.000 1.150 360 S CA -1.053 57.173 58.200 0.043 0.000 0.849 360 S CB 2.255 65.483 63.200 0.047 0.000 1.113 360 S HN 0.903 nan 8.310 nan 0.000 0.458 361 K N 0.717 121.064 120.400 -0.088 0.000 2.578 361 K HA 0.611 5.042 4.320 0.184 0.000 0.269 361 K C -2.105 174.418 176.600 -0.128 0.000 0.941 361 K CA -0.635 55.523 56.287 -0.215 0.000 0.847 361 K CB 1.929 34.130 32.500 -0.498 0.000 1.397 361 K HN 0.662 nan 8.250 nan 0.000 0.422 362 V N 6.013 125.840 119.914 -0.146 0.000 2.465 362 V HA 0.317 4.547 4.120 0.184 0.000 0.279 362 V C 0.537 176.623 176.094 -0.014 0.000 1.045 362 V CA -0.209 62.011 62.300 -0.134 0.000 0.938 362 V CB 0.654 32.375 31.823 -0.171 0.000 0.986 362 V HN 0.810 nan 8.190 nan 0.000 0.467 363 F N 1.976 121.900 119.950 -0.044 0.000 2.678 363 F HA 0.458 5.088 4.527 0.171 0.000 0.291 363 F C 0.715 176.406 175.800 -0.183 0.000 1.123 363 F CA -0.163 57.763 58.000 -0.124 0.000 1.395 363 F CB 0.278 39.202 39.000 -0.127 0.000 1.121 363 F HN 0.473 nan 8.300 nan 0.000 0.592 364 Q N 2.351 121.825 119.800 -0.543 0.000 2.650 364 Q HA 0.349 4.800 4.340 0.184 0.000 0.239 364 Q C -2.356 173.453 176.000 -0.318 0.000 0.893 364 Q CA -2.288 53.318 55.803 -0.327 0.000 0.755 364 Q CB 1.753 30.273 28.738 -0.363 0.000 1.349 364 Q HN -0.034 nan 8.270 nan 0.000 0.461 365 P HA -0.031 nan 4.420 nan 0.000 0.219 365 P C 0.614 177.847 177.300 -0.110 0.000 1.150 365 P CA 0.934 63.949 63.100 -0.142 0.000 0.814 365 P CB 0.377 32.024 31.700 -0.090 0.000 0.787 366 G N 0.244 109.000 108.800 -0.073 0.000 2.514 366 G HA2 0.071 4.141 3.960 0.184 0.000 0.245 366 G HA3 0.071 4.141 3.960 0.184 0.000 0.245 366 G C -0.377 174.500 174.900 -0.039 0.000 1.488 366 G CA -0.286 44.790 45.100 -0.039 0.000 1.063 366 G HN 0.138 nan 8.290 nan 0.000 0.557 367 S N 0.166 115.866 115.700 -0.000 0.000 2.544 367 S HA 0.354 4.934 4.470 0.184 0.000 0.290 367 S C -0.063 174.568 174.600 0.052 0.000 1.276 367 S CA 0.220 58.429 58.200 0.015 0.000 1.075 367 S CB -0.217 62.999 63.200 0.026 0.000 0.849 367 S HN 0.358 nan 8.310 nan 0.000 0.494 368 M N 4.429 124.048 119.600 0.032 0.000 2.206 368 M HA 0.289 4.879 4.480 0.184 0.000 0.272 368 M C -0.282 176.081 176.300 0.104 0.000 1.012 368 M CA -0.245 55.106 55.300 0.085 0.000 0.986 368 M CB 1.600 34.156 32.600 -0.074 0.000 1.740 368 M HN 0.701 nan 8.290 nan 0.000 0.472 369 S N 3.343 119.150 115.700 0.179 0.000 2.967 369 S HA 0.410 4.991 4.470 0.184 0.000 0.167 369 S C -0.462 174.352 174.600 0.356 0.000 0.696 369 S CA 0.000 58.329 58.200 0.215 0.000 0.874 369 S CB 0.024 63.311 63.200 0.145 0.000 0.718 369 S HN 0.614 nan 8.310 nan 0.000 0.634 370 Y N 3.187 123.539 120.300 0.087 0.000 2.346 370 Y HA 0.550 5.210 4.550 0.184 0.000 0.330 370 Y C 0.757 176.737 175.900 0.133 0.000 1.178 370 Y CA -1.504 56.644 58.100 0.079 0.000 1.331 370 Y CB 0.296 38.791 38.460 0.058 0.000 1.253 370 Y HN 0.383 nan 8.280 nan 0.000 0.529 371 S N 0.647 116.463 115.700 0.194 0.000 2.548 371 S HA 0.687 5.268 4.470 0.184 0.000 0.276 371 S C -0.729 173.910 174.600 0.064 0.000 1.129 371 S CA -0.835 57.466 58.200 0.167 0.000 0.931 371 S CB 2.243 65.534 63.200 0.151 0.000 1.068 371 S HN 0.571 nan 8.310 nan 0.000 0.480 372 T N 2.658 117.265 114.554 0.088 0.000 2.886 372 T HA 0.640 5.101 4.350 0.184 0.000 0.292 372 T C -1.163 173.583 174.700 0.077 0.000 1.012 372 T CA -0.626 61.515 62.100 0.069 0.000 0.982 372 T CB 0.695 69.629 68.868 0.109 0.000 1.018 372 T HN 0.685 nan 8.240 nan 0.000 0.451 373 L N 2.660 123.923 121.223 0.066 0.000 2.330 373 L HA 0.801 5.252 4.340 0.184 0.000 0.271 373 L C 0.032 176.967 176.870 0.110 0.000 1.013 373 L CA -0.755 54.137 54.840 0.087 0.000 0.816 373 L CB 2.382 44.486 42.059 0.076 0.000 1.287 373 L HN 0.610 nan 8.230 nan 0.000 0.435 374 T N 1.030 115.656 114.554 0.120 0.000 3.097 374 T HA 0.514 4.975 4.350 0.184 0.000 0.332 374 T C -1.018 173.744 174.700 0.103 0.000 1.269 374 T CA -0.466 61.703 62.100 0.114 0.000 1.076 374 T CB 1.595 70.525 68.868 0.104 0.000 1.209 374 T HN 0.634 nan 8.240 nan 0.000 0.474 375 A N 4.686 127.560 122.820 0.088 0.000 2.404 375 A HA 0.675 5.105 4.320 0.184 0.000 0.273 375 A C -0.016 177.509 177.584 -0.099 0.000 1.144 375 A CA -0.262 51.767 52.037 -0.014 0.000 0.806 375 A CB -0.141 18.883 19.000 0.040 0.000 1.080 375 A HN 0.776 nan 8.150 nan 0.000 0.509 376 L N 4.575 125.669 121.223 -0.214 0.000 2.357 376 L HA 0.334 4.785 4.340 0.184 0.000 0.273 376 L C -1.091 175.693 176.870 -0.144 0.000 1.080 376 L CA -1.832 52.918 54.840 -0.150 0.000 0.803 376 L CB 1.401 43.371 42.059 -0.149 0.000 1.174 376 L HN 0.565 nan 8.230 nan 0.000 0.443 377 P HA -0.138 nan 4.420 nan 0.000 0.228 377 P C 0.427 177.684 177.300 -0.072 0.000 1.151 377 P CA 0.809 63.867 63.100 -0.070 0.000 0.770 377 P CB 0.034 31.701 31.700 -0.055 0.000 0.786 378 D N -1.181 119.163 120.400 -0.093 0.000 2.340 378 D HA 0.076 4.827 4.640 0.184 0.000 0.220 378 D C 1.484 177.728 176.300 -0.092 0.000 1.039 378 D CA 0.593 54.546 54.000 -0.078 0.000 0.866 378 D CB -0.622 40.136 40.800 -0.072 0.000 0.913 378 D HN 0.243 nan 8.370 nan 0.000 0.523 379 G N -0.206 108.505 108.800 -0.148 0.000 2.213 379 G HA2 -0.276 3.794 3.960 0.184 0.000 0.226 379 G HA3 -0.276 3.794 3.960 0.184 0.000 0.226 379 G C 0.647 175.315 174.900 -0.387 0.000 0.992 379 G CA 0.505 45.501 45.100 -0.173 0.000 0.632 379 G HN 0.782 nan 8.290 nan 0.000 0.511 380 T N -1.778 112.534 114.554 -0.403 0.000 2.865 380 T HA 0.680 5.141 4.350 0.184 0.000 0.302 380 T C -0.106 173.998 174.700 -0.994 0.000 1.078 380 T CA -0.235 61.555 62.100 -0.518 0.000 0.942 380 T CB 1.434 70.155 68.868 -0.244 0.000 1.387 380 T HN 0.541 nan 8.240 nan 0.000 0.557 381 Y N -1.366 118.669 120.300 -0.441 0.000 2.457 381 Y HA 0.618 5.266 4.550 0.164 0.000 0.343 381 Y C 0.587 176.186 175.900 -0.501 0.000 0.994 381 Y CA -1.025 56.761 58.100 -0.524 0.000 1.031 381 Y CB 2.258 40.191 38.460 -0.877 0.000 1.246 381 Y HN 1.089 nan 8.280 nan 0.000 0.449 382 G N 2.890 111.636 108.800 -0.090 0.000 2.371 382 G HA2 0.619 4.690 3.960 0.184 0.000 0.326 382 G HA3 0.619 4.690 3.960 0.184 0.000 0.326 382 G C -1.705 173.231 174.900 0.060 0.000 1.127 382 G CA -0.647 44.491 45.100 0.063 0.000 0.885 382 G HN 0.608 nan 8.290 nan 0.000 0.477 383 L N 2.700 123.915 121.223 -0.013 0.000 2.409 383 L HA 0.572 5.022 4.340 0.184 0.000 0.272 383 L C -1.167 175.756 176.870 0.089 0.000 0.980 383 L CA -0.888 53.965 54.840 0.022 0.000 0.826 383 L CB 1.884 43.903 42.059 -0.066 0.000 1.268 383 L HN 0.297 nan 8.230 nan 0.000 0.407 384 L N 5.666 126.992 121.223 0.171 0.000 2.333 384 L HA 0.551 5.002 4.340 0.184 0.000 0.280 384 L C -1.340 175.655 176.870 0.209 0.000 1.004 384 L CA -0.567 54.373 54.840 0.167 0.000 0.820 384 L CB 1.728 43.882 42.059 0.158 0.000 1.247 384 L HN 0.647 nan 8.230 nan 0.000 0.416 385 Y N 1.429 121.738 120.300 0.015 0.000 2.689 385 Y HA 0.533 5.197 4.550 0.189 0.000 0.333 385 Y C -1.174 174.756 175.900 0.050 0.000 1.190 385 Y CA -1.350 56.792 58.100 0.070 0.000 1.063 385 Y CB 1.211 39.754 38.460 0.138 0.000 1.294 385 Y HN 0.430 nan 8.280 nan 0.000 0.466 386 E N 2.197 122.535 120.200 0.230 0.000 2.092 386 E HA 0.308 4.768 4.350 0.184 0.000 0.271 386 E C -2.384 174.321 176.600 0.174 0.000 0.919 386 E CA -2.046 54.397 56.400 0.073 0.000 0.760 386 E CB 1.615 31.352 29.700 0.061 0.000 1.106 386 E HN 0.467 nan 8.360 nan 0.000 0.408 387 P HA 0.166 nan 4.420 nan 0.000 0.266 387 P C 0.660 177.988 177.300 0.047 0.000 1.381 387 P CA 0.082 63.252 63.100 0.117 0.000 0.940 387 P CB 0.831 32.540 31.700 0.014 0.000 1.435 388 G N -0.308 108.500 108.800 0.014 0.000 2.241 388 G HA2 -0.310 3.761 3.960 0.184 0.000 0.244 388 G HA3 -0.310 3.761 3.960 0.184 0.000 0.244 388 G C 1.054 175.946 174.900 -0.014 0.000 0.998 388 G CA 0.838 45.938 45.100 0.000 0.000 0.621 388 G HN 0.407 nan 8.290 nan 0.000 0.519 389 T N -1.595 112.942 114.554 -0.028 0.000 3.060 389 T HA 0.559 5.020 4.350 0.184 0.000 0.249 389 T C 1.727 176.408 174.700 -0.032 0.000 1.079 389 T CA 1.585 63.668 62.100 -0.028 0.000 1.013 389 T CB 0.987 69.833 68.868 -0.038 0.000 0.975 389 T HN 2.199 nan 8.240 nan 0.000 0.518 390 G N 2.061 110.824 108.800 -0.062 0.000 2.272 390 G HA2 0.272 4.342 3.960 0.184 0.000 0.068 390 G HA3 0.272 4.342 3.960 0.184 0.000 0.068 390 G C -1.610 173.181 174.900 -0.182 0.000 1.073 390 G CA -0.387 44.672 45.100 -0.069 0.000 1.154 390 G HN 0.979 nan 8.290 nan 0.000 0.429 391 I N -0.885 119.483 120.570 -0.337 0.000 2.533 391 I HA 0.923 5.204 4.170 0.184 0.000 0.290 391 I C -0.615 175.232 176.117 -0.450 0.000 1.056 391 I CA -1.006 60.058 61.300 -0.394 0.000 1.057 391 I CB 2.305 40.036 38.000 -0.449 0.000 1.240 391 I HN 0.759 nan 8.210 nan 0.000 0.423 392 R N 4.537 124.747 120.500 -0.484 0.000 2.670 392 R HA 0.471 4.921 4.340 0.184 0.000 0.289 392 R C -2.034 174.055 176.300 -0.352 0.000 0.965 392 R CA -0.757 55.060 56.100 -0.471 0.000 0.899 392 R CB 1.622 31.551 30.300 -0.618 0.000 1.173 392 R HN 0.779 nan 8.270 nan 0.000 0.456 393 Y N 2.526 122.618 120.300 -0.347 0.000 2.330 393 Y HA 0.636 5.301 4.550 0.193 0.000 0.336 393 Y C -1.201 174.631 175.900 -0.112 0.000 1.036 393 Y CA -0.495 57.469 58.100 -0.225 0.000 1.125 393 Y CB 1.626 39.895 38.460 -0.318 0.000 1.194 393 Y HN 0.746 nan 8.280 nan 0.000 0.469 394 A N 5.037 127.274 122.820 -0.971 0.000 2.454 394 A HA 0.671 5.101 4.320 0.184 0.000 0.302 394 A C -1.609 175.359 177.584 -1.027 0.000 1.079 394 A CA -0.862 50.656 52.037 -0.866 0.000 0.731 394 A CB 1.476 20.195 19.000 -0.468 0.000 1.299 394 A HN 0.720 nan 8.150 nan 0.000 0.413 395 N N -0.001 118.230 118.700 -0.783 0.000 2.310 395 N HA 0.747 5.598 4.740 0.184 0.000 0.292 395 N C -1.441 173.835 175.510 -0.389 0.000 1.049 395 N CA -0.476 52.279 53.050 -0.492 0.000 0.849 395 N CB 1.381 39.695 38.487 -0.288 0.000 1.532 395 N HN 0.676 nan 8.380 nan 0.000 0.479 396 F N 0.773 120.547 119.950 -0.292 0.000 2.631 396 F HA 0.592 5.202 4.527 0.139 0.000 0.308 396 F C -0.661 175.205 175.800 0.111 0.000 1.097 396 F CA -1.085 56.800 58.000 -0.190 0.000 0.952 396 F CB 0.764 39.553 39.000 -0.350 0.000 1.307 396 F HN 0.500 nan 8.300 nan 0.000 0.450 397 N N 1.621 120.561 118.700 0.401 0.000 2.525 397 N HA 0.502 5.352 4.740 0.184 0.000 0.288 397 N C -0.055 175.823 175.510 0.613 0.000 1.242 397 N CA -1.127 52.156 53.050 0.389 0.000 0.905 397 N CB 2.208 40.833 38.487 0.230 0.000 1.258 397 N HN 0.759 nan 8.380 nan 0.000 0.551 398 L N -0.437 121.088 121.223 0.503 0.000 2.362 398 L HA -0.043 4.408 4.340 0.184 0.000 0.219 398 L C 2.491 179.567 176.870 0.344 0.000 1.134 398 L CA 0.846 55.951 54.840 0.441 0.000 0.807 398 L CB -0.540 41.742 42.059 0.372 0.000 0.927 398 L HN 0.787 nan 8.230 nan 0.000 0.447 399 A N -0.503 122.511 122.820 0.323 0.000 2.015 399 A HA -0.239 4.192 4.320 0.184 0.000 0.219 399 A C 1.990 179.731 177.584 0.261 0.000 1.163 399 A CA 1.011 53.195 52.037 0.245 0.000 0.646 399 A CB -0.772 18.358 19.000 0.217 0.000 0.806 399 A HN 0.671 nan 8.150 nan 0.000 0.448 400 W N -0.119 121.293 121.300 0.187 0.000 2.678 400 W HA 0.099 4.847 4.660 0.148 0.000 0.256 400 W C 1.377 177.959 176.519 0.106 0.000 1.280 400 W CA 0.783 58.225 57.345 0.163 0.000 1.345 400 W CB -0.018 29.588 29.460 0.243 0.000 1.118 400 W HN 0.212 nan 8.180 nan 0.000 0.629 401 L N 0.161 121.426 121.223 0.070 0.000 2.217 401 L HA 0.105 4.556 4.340 0.184 0.000 0.211 401 L C 2.003 178.737 176.870 -0.227 0.000 1.107 401 L CA 1.462 56.196 54.840 -0.175 0.000 0.783 401 L CB -0.519 41.596 42.059 0.092 0.000 0.919 401 L HN 0.358 nan 8.230 nan 0.000 0.442 402 G N -1.328 107.401 108.800 -0.118 0.000 2.601 402 G HA2 0.074 4.145 3.960 0.184 0.000 0.233 402 G HA3 0.074 4.145 3.960 0.184 0.000 0.233 402 G C 0.311 175.208 174.900 -0.006 0.000 1.896 402 G CA -0.332 44.714 45.100 -0.090 0.000 1.514 402 G HN 0.778 nan 8.290 nan 0.000 0.512 403 G N -1.022 107.788 108.800 0.017 0.000 2.332 403 G HA2 0.503 4.574 3.960 0.184 0.000 0.265 403 G HA3 0.503 4.574 3.960 0.184 0.000 0.265 403 G C 0.018 174.952 174.900 0.057 0.000 1.329 403 G CA 0.108 45.239 45.100 0.052 0.000 0.949 403 G HN 2.168 nan 8.290 nan 0.000 0.476 404 I N -0.648 119.957 120.570 0.058 0.000 6.211 404 I HA -0.251 4.030 4.170 0.184 0.000 0.126 404 I C 0.627 176.782 176.117 0.064 0.000 1.376 404 I CA 0.269 61.602 61.300 0.054 0.000 2.526 404 I CB -0.118 37.903 38.000 0.035 0.000 2.573 404 I HN 0.811 nan 8.210 nan 0.000 0.296 405 c N 7.742 126.377 118.600 0.059 0.000 2.861 405 c HA 0.529 5.210 4.570 0.184 0.000 0.542 405 c C 1.083 175.203 174.090 0.051 0.000 1.074 405 c CA 0.303 56.664 56.329 0.054 0.000 1.232 405 c CB -1.661 40.877 42.510 0.047 0.000 1.433 405 c HN 0.725 nan 8.230 nan 0.000 0.606 406 A N 3.437 126.301 122.820 0.072 0.000 3.105 406 A HA 0.491 4.922 4.320 0.184 0.000 0.336 406 A C -2.389 175.297 177.584 0.169 0.000 1.042 406 A CA -0.932 51.153 52.037 0.081 0.000 0.851 406 A CB 0.154 19.177 19.000 0.038 0.000 1.068 406 A HN 0.496 nan 8.150 nan 0.000 0.477 407 P HA 0.346 nan 4.420 nan 0.000 0.268 407 P C -0.833 176.627 177.300 0.267 0.000 1.205 407 P CA 0.421 63.626 63.100 0.175 0.000 0.771 407 P CB 0.404 32.137 31.700 0.056 0.000 0.858 408 F N -1.048 118.909 119.950 0.012 0.000 2.588 408 F HA 0.759 5.393 4.527 0.178 0.000 0.314 408 F C -0.748 175.055 175.800 0.004 0.000 1.069 408 F CA -1.362 56.639 58.000 0.002 0.000 0.931 408 F CB 1.319 40.317 39.000 -0.004 0.000 1.260 408 F HN 0.194 nan 8.300 nan 0.000 0.465 409 T N 3.133 117.720 114.554 0.056 0.000 2.863 409 T HA 0.772 5.233 4.350 0.184 0.000 0.285 409 T C -1.169 173.515 174.700 -0.027 0.000 1.009 409 T CA -0.578 61.490 62.100 -0.054 0.000 0.989 409 T CB 0.813 69.667 68.868 -0.023 0.000 1.004 409 T HN 0.639 nan 8.240 nan 0.000 0.455 410 I N 6.818 127.321 120.570 -0.113 0.000 2.468 410 I HA 0.372 4.653 4.170 0.184 0.000 0.285 410 I C -2.043 173.968 176.117 -0.177 0.000 1.039 410 I CA -2.304 58.852 61.300 -0.241 0.000 1.074 410 I CB 2.547 40.193 38.000 -0.591 0.000 1.228 410 I HN 0.495 nan 8.210 nan 0.000 0.436 411 P HA 0.102 nan 4.420 nan 0.000 0.273 411 P C -1.014 176.337 177.300 0.084 0.000 1.250 411 P CA -0.250 62.845 63.100 -0.009 0.000 0.793 411 P CB 0.789 32.483 31.700 -0.010 0.000 1.011 412 D N -0.208 120.267 120.400 0.126 0.000 2.351 412 D HA 0.262 5.013 4.640 0.184 0.000 0.251 412 D C -0.219 176.173 176.300 0.153 0.000 1.137 412 D CA 0.077 54.189 54.000 0.187 0.000 0.879 412 D CB 0.512 41.387 40.800 0.126 0.000 1.181 412 D HN 0.019 nan 8.370 nan 0.000 0.448 413 V N 0.420 120.455 119.914 0.201 0.000 2.581 413 V HA 0.828 5.058 4.120 0.184 0.000 0.303 413 V C 0.067 176.229 176.094 0.114 0.000 1.041 413 V CA -1.153 61.232 62.300 0.142 0.000 0.907 413 V CB 1.615 33.535 31.823 0.161 0.000 0.994 413 V HN 0.608 nan 8.190 nan 0.000 0.442 414 A N 5.317 128.180 122.820 0.072 0.000 2.343 414 A HA 0.981 5.412 4.320 0.184 0.000 0.316 414 A C -0.730 176.873 177.584 0.031 0.000 1.104 414 A CA -0.555 51.517 52.037 0.057 0.000 0.768 414 A CB 1.391 20.417 19.000 0.044 0.000 1.213 414 A HN 1.408 nan 8.150 nan 0.000 0.456 415 L N -1.074 120.160 121.223 0.017 0.000 2.502 415 L HA 0.952 5.403 4.340 0.184 0.000 0.253 415 L C -0.937 175.921 176.870 -0.021 0.000 1.070 415 L CA -0.945 53.886 54.840 -0.016 0.000 0.871 415 L CB 1.704 43.730 42.059 -0.054 0.000 1.487 415 L HN 0.464 nan 8.230 nan 0.000 0.408 416 E N 1.184 121.364 120.200 -0.034 0.000 2.204 416 E HA 0.524 4.984 4.350 0.184 0.000 0.276 416 E C -2.526 174.037 176.600 -0.062 0.000 0.974 416 E CA -1.837 54.544 56.400 -0.031 0.000 0.815 416 E CB 1.556 31.243 29.700 -0.021 0.000 1.119 416 E HN 0.427 nan 8.360 nan 0.000 0.393 417 P HA 0.020 nan 4.420 nan 0.000 0.261 417 P C 0.318 177.567 177.300 -0.086 0.000 1.173 417 P CA 1.268 64.320 63.100 -0.080 0.000 0.760 417 P CB 0.533 32.213 31.700 -0.033 0.000 0.783 418 G N 1.273 109.999 108.800 -0.122 0.000 2.176 418 G HA2 -0.206 3.864 3.960 0.184 0.000 0.232 418 G HA3 -0.206 3.864 3.960 0.184 0.000 0.232 418 G C 0.134 174.974 174.900 -0.101 0.000 0.986 418 G CA -0.348 44.693 45.100 -0.098 0.000 0.643 418 G HN 0.552 nan 8.290 nan 0.000 0.522 419 Q N -1.053 118.673 119.800 -0.123 0.000 2.166 419 Q HA 0.596 5.047 4.340 0.184 0.000 0.226 419 Q C 1.119 177.040 176.000 -0.131 0.000 0.989 419 Q CA -0.115 55.625 55.803 -0.106 0.000 0.966 419 Q CB 0.636 29.324 28.738 -0.083 0.000 1.173 419 Q HN 0.323 nan 8.270 nan 0.000 0.509 420 Q N -0.732 119.011 119.800 -0.096 0.000 2.404 420 Q HA 0.198 4.649 4.340 0.184 0.000 0.262 420 Q C 0.083 176.044 176.000 -0.065 0.000 0.846 420 Q CA -0.276 55.475 55.803 -0.088 0.000 0.978 420 Q CB -0.100 28.602 28.738 -0.061 0.000 1.156 420 Q HN 0.308 nan 8.270 nan 0.000 0.548 421 V N 2.040 121.925 119.914 -0.048 0.000 3.738 421 V HA -0.222 4.009 4.120 0.184 0.000 0.430 421 V C -0.861 175.226 176.094 -0.012 0.000 1.624 421 V CA 1.581 63.865 62.300 -0.025 0.000 2.032 421 V CB 0.059 31.872 31.823 -0.015 0.000 1.891 421 V HN 0.589 nan 8.190 nan 0.000 0.493 422 T N 6.776 121.324 114.554 -0.011 0.000 2.792 422 T HA 0.670 5.131 4.350 0.184 0.000 0.280 422 T C -0.362 174.329 174.700 -0.016 0.000 0.990 422 T CA 0.157 62.250 62.100 -0.011 0.000 0.960 422 T CB 1.501 70.361 68.868 -0.013 0.000 0.939 422 T HN 1.462 nan 8.240 nan 0.000 0.439 423 V N 2.082 121.977 119.914 -0.030 0.000 2.680 423 V HA 0.829 5.060 4.120 0.184 0.000 0.309 423 V C -2.741 173.311 176.094 -0.071 0.000 1.052 423 V CA -3.004 59.264 62.300 -0.053 0.000 0.908 423 V CB 1.793 33.569 31.823 -0.079 0.000 1.001 423 V HN 0.584 nan 8.190 nan 0.000 0.431 424 P HA 0.356 nan 4.420 nan 0.000 0.274 424 P C -0.827 176.437 177.300 -0.060 0.000 1.231 424 P CA -0.160 62.911 63.100 -0.048 0.000 0.790 424 P CB 1.762 33.443 31.700 -0.031 0.000 0.951 425 V N 1.468 121.362 119.914 -0.033 0.000 2.604 425 V HA 0.655 4.886 4.120 0.184 0.000 0.305 425 V C 0.126 176.235 176.094 0.026 0.000 1.043 425 V CA -0.757 61.547 62.300 0.006 0.000 0.888 425 V CB 1.569 33.403 31.823 0.018 0.000 0.995 425 V HN 0.788 nan 8.190 nan 0.000 0.429 426 A N 4.368 127.226 122.820 0.064 0.000 2.343 426 A HA 0.885 5.316 4.320 0.184 0.000 0.308 426 A C -1.025 176.624 177.584 0.107 0.000 1.092 426 A CA -0.511 51.559 52.037 0.054 0.000 0.751 426 A CB 1.567 20.588 19.000 0.034 0.000 1.203 426 A HN 0.681 nan 8.150 nan 0.000 0.452 427 V N 1.752 121.708 119.914 0.071 0.000 2.604 427 V HA 0.638 4.868 4.120 0.184 0.000 0.305 427 V C -0.068 176.058 176.094 0.054 0.000 1.043 427 V CA -0.483 61.870 62.300 0.088 0.000 0.888 427 V CB 2.076 33.900 31.823 0.001 0.000 0.995 427 V HN 0.877 nan 8.190 nan 0.000 0.429 428 T N 3.459 118.053 114.554 0.066 0.000 2.791 428 T HA 0.355 4.816 4.350 0.184 0.000 0.288 428 T C -0.240 174.479 174.700 0.032 0.000 0.999 428 T CA -0.429 61.693 62.100 0.037 0.000 0.952 428 T CB 0.904 69.791 68.868 0.030 0.000 0.938 428 T HN 0.635 nan 8.240 nan 0.000 0.444 429 N N 2.632 121.343 118.700 0.018 0.000 2.508 429 N HA 0.283 5.134 4.740 0.184 0.000 0.285 429 N C 0.348 175.866 175.510 0.013 0.000 1.144 429 N CA -0.592 52.467 53.050 0.014 0.000 0.978 429 N CB 1.038 39.527 38.487 0.005 0.000 1.180 429 N HN 0.743 nan 8.380 nan 0.000 0.484 430 Q N 0.961 120.771 119.800 0.017 0.000 2.582 430 Q HA 0.489 4.940 4.340 0.184 0.000 0.173 430 Q C 0.627 176.635 176.000 0.013 0.000 1.068 430 Q CA -0.639 55.174 55.803 0.018 0.000 0.917 430 Q CB -0.244 28.511 28.738 0.028 0.000 2.945 430 Q HN 0.469 nan 8.270 nan 0.000 0.448 431 S N 0.118 115.827 115.700 0.016 0.000 2.138 431 S HA 0.015 4.596 4.470 0.184 0.000 0.186 431 S C 1.004 175.609 174.600 0.009 0.000 1.409 431 S CA 0.337 58.543 58.200 0.010 0.000 2.447 431 S CB -1.136 62.069 63.200 0.008 0.000 0.289 431 S HN 0.751 nan 8.310 nan 0.000 0.349 432 G N 1.294 110.100 108.800 0.009 0.000 2.789 432 G HA2 0.375 4.446 3.960 0.184 0.000 0.281 432 G HA3 0.375 4.446 3.960 0.184 0.000 0.281 432 G C -0.531 174.377 174.900 0.012 0.000 0.708 432 G CA 0.080 45.185 45.100 0.009 0.000 2.067 432 G HN 0.316 nan 8.290 nan 0.000 0.554 433 I N 1.704 122.279 120.570 0.009 0.000 2.649 433 I HA 0.283 4.564 4.170 0.184 0.000 0.275 433 I C 0.032 176.151 176.117 0.002 0.000 1.153 433 I CA -1.291 60.014 61.300 0.008 0.000 1.069 433 I CB 1.128 39.134 38.000 0.011 0.000 1.227 433 I HN 0.332 nan 8.210 nan 0.000 0.505 434 A N 6.113 128.934 122.820 0.001 0.000 2.412 434 A HA 0.663 5.094 4.320 0.184 0.000 0.334 434 A C -0.379 177.202 177.584 -0.004 0.000 1.419 434 A CA -0.390 51.646 52.037 -0.002 0.000 0.930 434 A CB 0.493 19.492 19.000 -0.001 0.000 1.149 434 A HN 0.246 nan 8.150 nan 0.000 0.515 435 V N 6.018 125.927 119.914 -0.008 0.000 2.277 435 V HA 0.227 4.458 4.120 0.184 0.000 0.269 435 V C -1.209 174.876 176.094 -0.016 0.000 1.036 435 V CA -0.936 61.357 62.300 -0.012 0.000 0.821 435 V CB 1.262 33.075 31.823 -0.017 0.000 1.052 435 V HN 0.802 nan 8.190 nan 0.000 0.462 436 P HA -0.068 nan 4.420 nan 0.000 0.219 436 P C 0.293 177.583 177.300 -0.017 0.000 1.150 436 P CA 0.881 63.972 63.100 -0.014 0.000 0.814 436 P CB 0.563 32.258 31.700 -0.009 0.000 0.787 437 K N 1.078 121.467 120.400 -0.018 0.000 2.624 437 K HA 0.346 4.777 4.320 0.184 0.000 0.200 437 K C -2.491 174.092 176.600 -0.028 0.000 1.036 437 K CA -1.450 54.825 56.287 -0.021 0.000 1.029 437 K CB 1.509 33.999 32.500 -0.015 0.000 1.317 437 K HN 0.175 nan 8.250 nan 0.000 0.555 438 P HA 0.274 nan 4.420 nan 0.000 0.296 438 P C -0.750 176.513 177.300 -0.061 0.000 1.301 438 P CA -0.562 62.504 63.100 -0.057 0.000 0.862 438 P CB 1.800 33.453 31.700 -0.079 0.000 1.046 439 S N 1.823 117.487 115.700 -0.060 0.000 2.681 439 S HA 0.582 5.163 4.470 0.184 0.000 0.299 439 S C -0.160 174.397 174.600 -0.072 0.000 1.113 439 S CA -0.907 57.263 58.200 -0.051 0.000 1.013 439 S CB 1.204 64.387 63.200 -0.028 0.000 1.076 439 S HN 0.436 nan 8.310 nan 0.000 0.534 440 L N 2.004 123.198 121.223 -0.048 0.000 2.388 440 L HA 0.401 4.852 4.340 0.184 0.000 0.267 440 L C -0.711 176.173 176.870 0.024 0.000 0.995 440 L CA -0.191 54.628 54.840 -0.035 0.000 0.864 440 L CB 1.462 43.499 42.059 -0.038 0.000 1.216 440 L HN 0.770 nan 8.230 nan 0.000 0.430 441 Q N 4.530 124.357 119.800 0.045 0.000 2.368 441 Q HA 0.402 4.852 4.340 0.184 0.000 0.256 441 Q C -1.386 174.678 176.000 0.106 0.000 0.980 441 Q CA -0.763 55.078 55.803 0.062 0.000 0.887 441 Q CB 1.202 29.965 28.738 0.043 0.000 1.221 441 Q HN 0.443 nan 8.270 nan 0.000 0.458 442 L N 2.823 124.118 121.223 0.120 0.000 2.379 442 L HA 0.458 4.909 4.340 0.184 0.000 0.269 442 L C -0.131 176.798 176.870 0.100 0.000 1.084 442 L CA -0.029 54.906 54.840 0.159 0.000 0.802 442 L CB 1.243 43.426 42.059 0.207 0.000 1.175 442 L HN 0.732 nan 8.230 nan 0.000 0.448 443 D N 1.338 121.782 120.400 0.073 0.000 2.471 443 D HA 0.689 5.439 4.640 0.184 0.000 0.245 443 D C -0.801 175.481 176.300 -0.030 0.000 1.116 443 D CA -0.007 54.003 54.000 0.017 0.000 0.853 443 D CB 1.807 42.609 40.800 0.004 0.000 1.123 443 D HN 0.691 nan 8.370 nan 0.000 0.540 444 A N 1.988 124.782 122.820 -0.044 0.000 2.566 444 A HA 0.710 5.141 4.320 0.184 0.000 0.291 444 A C -0.448 177.002 177.584 -0.223 0.000 1.278 444 A CA -0.607 51.347 52.037 -0.138 0.000 0.711 444 A CB 0.728 19.725 19.000 -0.006 0.000 1.332 444 A HN 0.341 nan 8.150 nan 0.000 0.478 445 S N 2.260 117.666 115.700 -0.491 0.000 2.549 445 S HA 0.267 4.847 4.470 0.184 0.000 0.283 445 S C -1.472 173.007 174.600 -0.201 0.000 1.320 445 S CA -0.312 57.594 58.200 -0.490 0.000 1.058 445 S CB 0.556 63.135 63.200 -1.035 0.000 0.882 445 S HN 0.572 nan 8.310 nan 0.000 0.498 446 P HA -0.187 nan 4.420 nan 0.000 0.216 446 P C 0.266 177.594 177.300 0.047 0.000 1.150 446 P CA 1.464 64.553 63.100 -0.017 0.000 0.843 446 P CB -0.226 31.460 31.700 -0.023 0.000 0.787 447 D N -3.311 117.135 120.400 0.077 0.000 2.370 447 D HA 0.042 4.793 4.640 0.184 0.000 0.230 447 D C -0.294 176.178 176.300 0.288 0.000 1.143 447 D CA -0.396 53.691 54.000 0.145 0.000 0.834 447 D CB -0.628 40.239 40.800 0.111 0.000 0.944 447 D HN 0.091 nan 8.370 nan 0.000 0.504 448 W N 0.841 122.105 121.300 -0.059 0.000 2.520 448 W HA 0.490 5.261 4.660 0.184 0.000 0.323 448 W C -0.351 176.145 176.519 -0.038 0.000 1.062 448 W CA -1.073 56.231 57.345 -0.068 0.000 1.215 448 W CB 1.324 30.721 29.460 -0.104 0.000 1.340 448 W HN -0.204 nan 8.180 nan 0.000 0.516 449 Q N 2.074 121.935 119.800 0.101 0.000 2.340 449 Q HA 0.511 4.962 4.340 0.184 0.000 0.259 449 Q C -0.587 175.459 176.000 0.078 0.000 0.964 449 Q CA -0.460 55.385 55.803 0.070 0.000 0.900 449 Q CB 1.331 30.081 28.738 0.019 0.000 1.228 449 Q HN 0.269 nan 8.270 nan 0.000 0.449 450 V N 0.524 120.504 119.914 0.109 0.000 2.531 450 V HA 0.763 4.994 4.120 0.184 0.000 0.301 450 V C -0.690 175.462 176.094 0.098 0.000 1.034 450 V CA -0.886 61.490 62.300 0.127 0.000 0.865 450 V CB 1.824 33.760 31.823 0.189 0.000 0.995 450 V HN 0.598 nan 8.190 nan 0.000 0.424 451 Q N 2.013 121.863 119.800 0.084 0.000 2.379 451 Q HA 0.876 5.327 4.340 0.184 0.000 0.278 451 Q C -0.172 175.861 176.000 0.056 0.000 1.068 451 Q CA 0.105 55.944 55.803 0.060 0.000 0.816 451 Q CB 2.641 31.400 28.738 0.036 0.000 1.387 451 Q HN 1.303 nan 8.270 nan 0.000 0.413 452 G N 0.061 108.886 108.800 0.042 0.000 2.690 452 G HA2 0.710 4.781 3.960 0.184 0.000 0.293 452 G HA3 0.710 4.781 3.960 0.184 0.000 0.293 452 G C -1.411 173.490 174.900 0.001 0.000 1.399 452 G CA -0.492 44.623 45.100 0.025 0.000 0.890 452 G HN 0.662 nan 8.290 nan 0.000 0.485 453 S N -1.607 114.083 115.700 -0.016 0.000 2.556 453 S HA 0.808 5.388 4.470 0.184 0.000 0.271 453 S C -1.510 173.063 174.600 -0.046 0.000 1.135 453 S CA -0.789 57.394 58.200 -0.029 0.000 0.858 453 S CB 1.918 65.106 63.200 -0.020 0.000 1.114 453 S HN 1.814 nan 8.310 nan 0.000 0.468 454 V N 1.987 121.866 119.914 -0.058 0.000 2.841 454 V HA 0.641 4.872 4.120 0.184 0.000 0.310 454 V C -0.325 175.737 176.094 -0.053 0.000 1.090 454 V CA -0.707 61.551 62.300 -0.069 0.000 0.930 454 V CB 1.751 33.504 31.823 -0.117 0.000 1.014 454 V HN 1.208 nan 8.190 nan 0.000 0.425 455 E N 6.255 126.428 120.200 -0.044 0.000 2.376 455 E HA 0.452 4.912 4.350 0.184 0.000 0.254 455 E C -2.552 174.025 176.600 -0.038 0.000 1.213 455 E CA -1.751 54.629 56.400 -0.034 0.000 0.945 455 E CB 0.397 30.082 29.700 -0.026 0.000 1.057 455 E HN 0.483 nan 8.360 nan 0.000 0.479 456 P HA 0.058 nan 4.420 nan 0.000 0.269 456 P C -0.923 176.361 177.300 -0.027 0.000 1.215 456 P CA 0.120 63.203 63.100 -0.028 0.000 0.780 456 P CB 0.390 32.078 31.700 -0.020 0.000 0.898 457 L N 3.094 124.300 121.223 -0.028 0.000 2.257 457 L HA 0.400 4.850 4.340 0.184 0.000 0.290 457 L C 0.417 177.279 176.870 -0.014 0.000 1.044 457 L CA -0.143 54.683 54.840 -0.023 0.000 0.810 457 L CB 0.142 42.185 42.059 -0.027 0.000 1.193 457 L HN 0.250 nan 8.230 nan 0.000 0.425 458 M N 4.110 123.703 119.600 -0.010 0.000 2.537 458 M HA 0.462 5.053 4.480 0.184 0.000 0.324 458 M C -2.429 173.868 176.300 -0.004 0.000 1.187 458 M CA -1.973 53.323 55.300 -0.007 0.000 0.993 458 M CB 1.651 34.247 32.600 -0.007 0.000 1.666 458 M HN 0.183 nan 8.290 nan 0.000 0.461 459 P HA 0.075 nan 4.420 nan 0.000 0.267 459 P C 0.595 177.894 177.300 -0.001 0.000 1.205 459 P CA 0.705 63.805 63.100 -0.000 0.000 0.765 459 P CB 0.328 32.028 31.700 -0.000 0.000 0.828 460 G N 2.190 110.991 108.800 0.001 0.000 2.258 460 G HA2 -0.270 3.801 3.960 0.184 0.000 0.274 460 G HA3 -0.270 3.801 3.960 0.184 0.000 0.274 460 G C 0.105 175.005 174.900 -0.000 0.000 1.021 460 G CA -0.072 45.029 45.100 0.001 0.000 0.798 460 G HN 0.577 nan 8.290 nan 0.000 0.507 461 R N -1.156 119.344 120.500 -0.000 0.000 2.905 461 R HA 0.624 5.075 4.340 0.184 0.000 0.260 461 R C -0.381 175.919 176.300 0.000 0.000 1.086 461 R CA -0.947 55.152 56.100 -0.001 0.000 0.978 461 R CB 1.131 31.430 30.300 -0.003 0.000 1.215 461 R HN 0.299 nan 8.270 nan 0.000 0.480 462 Q N 0.679 120.479 119.800 0.000 0.000 2.282 462 Q HA 0.585 5.036 4.340 0.184 0.000 0.260 462 Q C -1.419 174.580 176.000 -0.002 0.000 0.964 462 Q CA -0.448 55.357 55.803 0.003 0.000 0.880 462 Q CB 1.923 30.665 28.738 0.006 0.000 1.286 462 Q HN 0.714 nan 8.270 nan 0.000 0.445 463 A N 3.867 126.684 122.820 -0.005 0.000 2.294 463 A HA 0.584 5.015 4.320 0.184 0.000 0.330 463 A C -1.027 176.548 177.584 -0.014 0.000 1.133 463 A CA -0.652 51.376 52.037 -0.015 0.000 0.836 463 A CB 1.308 20.290 19.000 -0.029 0.000 1.190 463 A HN 0.760 nan 8.150 nan 0.000 0.492 464 K N 0.096 120.485 120.400 -0.019 0.000 2.238 464 K HA 0.705 5.135 4.320 0.184 0.000 0.239 464 K C -0.092 176.492 176.600 -0.027 0.000 0.987 464 K CA -0.014 56.262 56.287 -0.017 0.000 0.857 464 K CB 1.971 34.463 32.500 -0.015 0.000 1.154 464 K HN 1.103 nan 8.250 nan 0.000 0.439 465 G N 0.709 109.493 108.800 -0.026 0.000 2.489 465 G HA2 0.395 4.466 3.960 0.184 0.000 0.305 465 G HA3 0.395 4.466 3.960 0.184 0.000 0.305 465 G C -2.169 172.713 174.900 -0.031 0.000 1.311 465 G CA -0.679 44.401 45.100 -0.033 0.000 0.813 465 G HN 0.586 nan 8.290 nan 0.000 0.480 466 Q N -1.808 117.972 119.800 -0.032 0.000 2.522 466 Q HA 0.711 5.161 4.340 0.184 0.000 0.285 466 Q C -1.657 174.325 176.000 -0.030 0.000 0.982 466 Q CA -0.951 54.831 55.803 -0.035 0.000 0.805 466 Q CB 2.018 30.740 28.738 -0.027 0.000 1.457 466 Q HN 0.845 nan 8.270 nan 0.000 0.394 467 V N 1.081 120.973 119.914 -0.038 0.000 2.531 467 V HA 0.724 4.954 4.120 0.184 0.000 0.301 467 V C -0.848 175.254 176.094 0.015 0.000 1.034 467 V CA -0.489 61.807 62.300 -0.007 0.000 0.865 467 V CB 2.120 33.915 31.823 -0.046 0.000 0.995 467 V HN 0.902 nan 8.190 nan 0.000 0.424 468 T N 6.323 120.897 114.554 0.033 0.000 2.770 468 T HA 0.692 5.152 4.350 0.184 0.000 0.283 468 T C -0.421 174.305 174.700 0.044 0.000 0.988 468 T CA -0.072 62.043 62.100 0.024 0.000 0.957 468 T CB 0.663 69.535 68.868 0.007 0.000 0.930 468 T HN 0.390 nan 8.240 nan 0.000 0.443 469 I N 3.006 123.593 120.570 0.028 0.000 2.362 469 I HA 0.375 4.655 4.170 0.184 0.000 0.289 469 I C 0.260 176.306 176.117 -0.118 0.000 0.994 469 I CA -0.489 60.808 61.300 -0.004 0.000 1.158 469 I CB 1.763 39.775 38.000 0.020 0.000 1.315 469 I HN 0.453 nan 8.210 nan 0.000 0.451 470 T N 5.823 120.283 114.554 -0.157 0.000 2.786 470 T HA 0.552 5.013 4.350 0.184 0.000 0.283 470 T C -0.317 174.139 174.700 -0.407 0.000 0.992 470 T CA -0.647 61.326 62.100 -0.212 0.000 0.954 470 T CB 1.494 70.288 68.868 -0.123 0.000 0.934 470 T HN 0.460 nan 8.240 nan 0.000 0.440 471 V N 2.479 122.067 119.914 -0.543 0.000 2.448 471 V HA 0.725 4.955 4.120 0.184 0.000 0.295 471 V C -2.690 173.156 176.094 -0.413 0.000 1.025 471 V CA -2.924 58.874 62.300 -0.835 0.000 0.859 471 V CB 1.425 32.441 31.823 -1.344 0.000 0.988 471 V HN 0.555 nan 8.190 nan 0.000 0.431 472 P HA 0.111 nan 4.420 nan 0.000 0.269 472 P C 0.790 178.043 177.300 -0.079 0.000 1.217 472 P CA 0.515 63.548 63.100 -0.111 0.000 0.783 472 P CB 1.117 32.803 31.700 -0.024 0.000 0.898 473 A N 2.438 125.230 122.820 -0.048 0.000 2.015 473 A HA -0.013 4.417 4.320 0.184 0.000 0.219 473 A C 1.980 179.561 177.584 -0.006 0.000 1.163 473 A CA 1.733 53.751 52.037 -0.031 0.000 0.646 473 A CB -1.407 17.578 19.000 -0.025 0.000 0.806 473 A HN 0.663 nan 8.150 nan 0.000 0.448 474 G N -0.418 108.388 108.800 0.010 0.000 3.440 474 G HA2 0.356 4.426 3.960 0.184 0.000 0.263 474 G HA3 0.356 4.426 3.960 0.184 0.000 0.263 474 G C 0.080 175.015 174.900 0.060 0.000 1.236 474 G CA 0.092 45.210 45.100 0.029 0.000 0.927 474 G HN 0.253 nan 8.290 nan 0.000 0.530 475 T N 1.818 116.412 114.554 0.068 0.000 2.761 475 T HA 0.291 4.752 4.350 0.184 0.000 0.296 475 T C 0.555 175.346 174.700 0.151 0.000 0.934 475 T CA 0.029 62.212 62.100 0.138 0.000 1.091 475 T CB 1.018 69.974 68.868 0.146 0.000 0.896 475 T HN 0.102 nan 8.240 nan 0.000 0.515 476 T N 6.983 121.649 114.554 0.186 0.000 2.902 476 T HA 0.158 4.619 4.350 0.184 0.000 0.301 476 T C -2.056 172.777 174.700 0.221 0.000 1.012 476 T CA -0.954 61.244 62.100 0.163 0.000 1.151 476 T CB 0.102 69.055 68.868 0.143 0.000 0.946 476 T HN 0.322 nan 8.240 nan 0.000 0.542 477 P HA 0.379 nan 4.420 nan 0.000 0.265 477 P C 0.361 177.714 177.300 0.089 0.000 1.187 477 P CA 0.501 63.671 63.100 0.118 0.000 0.766 477 P CB 0.437 32.154 31.700 0.028 0.000 0.820 478 G N 1.343 110.193 108.800 0.083 0.000 2.313 478 G HA2 0.265 4.336 3.960 0.184 0.000 0.296 478 G HA3 0.265 4.336 3.960 0.184 0.000 0.296 478 G C -1.708 173.083 174.900 -0.183 0.000 1.356 478 G CA -0.861 44.155 45.100 -0.139 0.000 0.833 478 G HN 0.274 nan 8.290 nan 0.000 0.552 479 R N -0.061 120.247 120.500 -0.320 0.000 2.255 479 R HA 0.455 4.906 4.340 0.184 0.000 0.326 479 R C -1.414 174.675 176.300 -0.352 0.000 0.986 479 R CA -0.335 55.653 56.100 -0.186 0.000 0.847 479 R CB 0.938 31.173 30.300 -0.108 0.000 1.111 479 R HN 0.502 nan 8.270 nan 0.000 0.452 480 Y N 2.995 123.305 120.300 0.017 0.000 2.341 480 Y HA 0.290 4.950 4.550 0.183 0.000 0.338 480 Y C 0.699 176.535 175.900 -0.108 0.000 0.965 480 Y CA -1.048 57.017 58.100 -0.059 0.000 1.108 480 Y CB 1.340 39.772 38.460 -0.047 0.000 1.180 480 Y HN 0.283 nan 8.280 nan 0.000 0.458 481 R N 2.541 123.035 120.500 -0.011 0.000 2.234 481 R HA 0.520 4.971 4.340 0.184 0.000 0.324 481 R C -1.479 174.712 176.300 -0.181 0.000 1.054 481 R CA -0.492 55.550 56.100 -0.096 0.000 0.912 481 R CB 0.307 30.562 30.300 -0.075 0.000 1.030 481 R HN 0.418 nan 8.270 nan 0.000 0.455 482 V N 2.726 122.420 119.914 -0.366 0.000 2.409 482 V HA 0.441 4.671 4.120 0.184 0.000 0.291 482 V C 0.751 176.674 176.094 -0.285 0.000 1.020 482 V CA -0.804 61.233 62.300 -0.439 0.000 0.848 482 V CB 1.727 33.049 31.823 -0.835 0.000 0.990 482 V HN 0.911 nan 8.190 nan 0.000 0.430 483 G N 3.312 112.061 108.800 -0.086 0.000 2.432 483 G HA2 0.600 4.671 3.960 0.184 0.000 0.257 483 G HA3 0.600 4.671 3.960 0.184 0.000 0.257 483 G C -0.222 174.775 174.900 0.162 0.000 1.238 483 G CA 0.108 45.227 45.100 0.032 0.000 0.838 483 G HN 1.133 nan 8.290 nan 0.000 0.547 484 A N 1.610 124.574 122.820 0.241 0.000 2.356 484 A HA 0.800 5.231 4.320 0.184 0.000 0.310 484 A C -0.164 177.646 177.584 0.377 0.000 1.075 484 A CA -0.578 51.676 52.037 0.363 0.000 0.746 484 A CB 1.745 21.058 19.000 0.522 0.000 1.221 484 A HN 0.625 nan 8.150 nan 0.000 0.443 485 T N 2.955 117.684 114.554 0.291 0.000 2.906 485 T HA 0.358 4.818 4.350 0.184 0.000 0.302 485 T C -0.771 173.982 174.700 0.088 0.000 1.002 485 T CA -0.222 62.010 62.100 0.220 0.000 0.988 485 T CB 0.737 69.674 68.868 0.115 0.000 0.972 485 T HN 0.593 nan 8.240 nan 0.000 0.447 486 L N 5.391 126.610 121.223 -0.006 0.000 2.363 486 L HA 0.393 4.844 4.340 0.184 0.000 0.286 486 L C 0.225 177.046 176.870 -0.082 0.000 1.106 486 L CA 0.087 54.795 54.840 -0.219 0.000 0.859 486 L CB -0.310 41.452 42.059 -0.495 0.000 1.223 486 L HN 0.461 nan 8.230 nan 0.000 0.446 487 R N 3.588 124.051 120.500 -0.061 0.000 2.349 487 R HA 0.682 5.132 4.340 0.184 0.000 0.299 487 R C -0.393 175.882 176.300 -0.041 0.000 1.027 487 R CA -0.457 55.623 56.100 -0.033 0.000 0.958 487 R CB 1.232 31.521 30.300 -0.019 0.000 1.047 487 R HN 0.597 nan 8.270 nan 0.000 0.468 488 T N -0.029 114.509 114.554 -0.027 0.000 2.853 488 T HA 0.097 4.558 4.350 0.184 0.000 0.311 488 T C 0.469 175.163 174.700 -0.009 0.000 1.307 488 T CA -0.626 61.460 62.100 -0.023 0.000 1.019 488 T CB 1.891 70.744 68.868 -0.025 0.000 1.264 488 T HN 0.406 nan 8.240 nan 0.000 0.497 489 S N 1.053 116.751 115.700 -0.005 0.000 2.607 489 S HA 0.191 4.771 4.470 0.184 0.000 0.224 489 S C 1.267 175.874 174.600 0.011 0.000 0.969 489 S CA 0.413 58.615 58.200 0.003 0.000 0.927 489 S CB -0.062 63.140 63.200 0.004 0.000 0.772 489 S HN 0.716 nan 8.310 nan 0.000 0.533 490 A N 0.793 123.620 122.820 0.012 0.000 2.606 490 A HA 0.670 5.101 4.320 0.184 0.000 0.290 490 A C 0.685 178.285 177.584 0.027 0.000 1.174 490 A CA 0.059 52.110 52.037 0.023 0.000 0.958 490 A CB -0.190 18.823 19.000 0.023 0.000 1.194 490 A HN 0.581 nan 8.150 nan 0.000 0.526 491 G N 0.350 109.160 108.800 0.018 0.000 2.459 491 G HA2 0.015 4.086 3.960 0.184 0.000 0.685 491 G HA3 0.015 4.086 3.960 0.184 0.000 0.685 491 G C -0.678 174.229 174.900 0.012 0.000 1.303 491 G CA -0.391 44.719 45.100 0.017 0.000 0.907 491 G HN 0.871 nan 8.290 nan 0.000 0.632 492 N N 0.267 118.974 118.700 0.012 0.000 2.493 492 N HA 0.726 5.577 4.740 0.184 0.000 0.275 492 N C -0.219 175.330 175.510 0.064 0.000 1.186 492 N CA 0.288 53.353 53.050 0.025 0.000 0.978 492 N CB 2.025 40.516 38.487 0.006 0.000 1.184 492 N HN 2.014 nan 8.380 nan 0.000 0.487 493 A N 0.685 123.573 122.820 0.112 0.000 2.491 493 A HA 0.487 4.917 4.320 0.184 0.000 0.293 493 A C -1.133 176.675 177.584 0.373 0.000 1.047 493 A CA -0.703 51.465 52.037 0.219 0.000 0.735 493 A CB 0.658 19.792 19.000 0.223 0.000 1.281 493 A HN 0.883 nan 8.150 nan 0.000 0.398 494 S N 0.839 116.722 115.700 0.304 0.000 2.570 494 S HA 0.943 5.524 4.470 0.184 0.000 0.286 494 S C -0.363 174.217 174.600 -0.034 0.000 1.099 494 S CA -0.388 57.953 58.200 0.235 0.000 0.913 494 S CB 2.076 65.356 63.200 0.133 0.000 1.085 494 S HN 1.405 nan 8.310 nan 0.000 0.480 495 T N 0.138 114.594 114.554 -0.164 0.000 2.778 495 T HA 0.792 5.253 4.350 0.184 0.000 0.293 495 T C -1.508 173.173 174.700 -0.032 0.000 1.144 495 T CA -0.302 61.633 62.100 -0.275 0.000 1.010 495 T CB 1.857 70.284 68.868 -0.736 0.000 1.325 495 T HN 0.808 nan 8.240 nan 0.000 0.515 496 T N 1.809 116.379 114.554 0.025 0.000 2.993 496 T HA 0.679 5.140 4.350 0.184 0.000 0.312 496 T C -1.625 173.195 174.700 0.199 0.000 1.115 496 T CA -0.503 61.654 62.100 0.096 0.000 1.027 496 T CB 0.548 69.427 68.868 0.018 0.000 1.116 496 T HN 0.492 nan 8.240 nan 0.000 0.464 497 F N -0.402 119.555 119.950 0.012 0.000 2.664 497 F HA 0.911 5.547 4.527 0.182 0.000 0.329 497 F C -0.321 175.517 175.800 0.063 0.000 1.090 497 F CA -1.219 56.798 58.000 0.028 0.000 0.978 497 F CB 0.786 39.806 39.000 0.034 0.000 1.378 497 F HN 0.305 nan 8.300 nan 0.000 0.495 498 T N 1.463 116.086 114.554 0.114 0.000 2.807 498 T HA 0.614 5.074 4.350 0.184 0.000 0.279 498 T C -1.131 173.650 174.700 0.135 0.000 0.993 498 T CA -0.540 61.585 62.100 0.042 0.000 0.970 498 T CB 1.580 70.488 68.868 0.066 0.000 0.950 498 T HN 0.560 nan 8.240 nan 0.000 0.441 499 V N 4.284 124.286 119.914 0.147 0.000 2.334 499 V HA 0.445 4.676 4.120 0.184 0.000 0.281 499 V C 0.540 176.820 176.094 0.309 0.000 1.016 499 V CA -0.903 61.543 62.300 0.244 0.000 0.832 499 V CB 1.276 33.281 31.823 0.303 0.000 0.999 499 V HN 1.067 nan 8.190 nan 0.000 0.439 500 T N 2.463 117.145 114.554 0.213 0.000 2.753 500 T HA 0.591 5.052 4.350 0.184 0.000 0.297 500 T C -0.400 174.409 174.700 0.181 0.000 0.981 500 T CA -0.601 61.616 62.100 0.195 0.000 0.956 500 T CB 1.223 70.153 68.868 0.104 0.000 0.936 500 T HN 0.689 nan 8.240 nan 0.000 0.463 501 V N 1.903 121.974 119.914 0.262 0.000 2.398 501 V HA 0.772 5.003 4.120 0.184 0.000 0.286 501 V C 0.966 177.134 176.094 0.124 0.000 1.026 501 V CA 0.487 62.891 62.300 0.172 0.000 0.868 501 V CB 0.227 32.153 31.823 0.172 0.000 0.982 501 V HN 1.569 nan 8.190 nan 0.000 0.443 502 G N 4.270 113.105 108.800 0.058 0.000 2.160 502 G HA2 -0.196 3.875 3.960 0.184 0.000 0.251 502 G HA3 -0.196 3.875 3.960 0.184 0.000 0.251 502 G C -0.361 174.542 174.900 0.006 0.000 1.008 502 G CA 0.707 45.823 45.100 0.028 0.000 0.724 502 G HN 1.093 nan 8.290 nan 0.000 0.514 503 L N -0.937 120.290 121.223 0.005 0.000 2.354 503 L HA 0.732 5.182 4.340 0.184 0.000 0.269 503 L C 0.548 177.395 176.870 -0.039 0.000 1.005 503 L CA -1.512 53.315 54.840 -0.021 0.000 0.819 503 L CB 1.463 43.514 42.059 -0.013 0.000 1.311 503 L HN -0.050 nan 8.230 nan 0.000 0.423 504 L N 0.667 121.844 121.223 -0.077 0.000 2.475 504 L HA 0.228 4.678 4.340 0.184 0.000 0.253 504 L C 0.160 176.976 176.870 -0.091 0.000 1.198 504 L CA 0.176 54.938 54.840 -0.130 0.000 0.814 504 L CB 0.132 42.052 42.059 -0.232 0.000 1.134 504 L HN 0.442 nan 8.230 nan 0.000 0.478 505 D N -0.113 120.229 120.400 -0.097 0.000 2.316 505 D HA 0.113 4.864 4.640 0.184 0.000 0.245 505 D C 0.731 176.999 176.300 -0.054 0.000 1.171 505 D CA 0.131 54.099 54.000 -0.054 0.000 0.856 505 D CB 0.968 41.748 40.800 -0.033 0.000 1.090 505 D HN 0.445 nan 8.370 nan 0.000 0.476 506 Q N 2.503 122.282 119.800 -0.034 0.000 2.170 506 Q HA -0.139 4.312 4.340 0.184 0.000 0.203 506 Q C 1.674 177.662 176.000 -0.020 0.000 0.976 506 Q CA 1.284 57.072 55.803 -0.026 0.000 0.858 506 Q CB 0.061 28.792 28.738 -0.012 0.000 0.907 506 Q HN 0.629 nan 8.270 nan 0.000 0.433 507 A N 0.794 123.606 122.820 -0.014 0.000 2.172 507 A HA -0.126 4.304 4.320 0.184 0.000 0.216 507 A C 1.610 179.188 177.584 -0.011 0.000 1.154 507 A CA 0.829 52.861 52.037 -0.008 0.000 0.701 507 A CB -0.101 18.897 19.000 -0.003 0.000 0.789 507 A HN 0.197 nan 8.150 nan 0.000 0.465 508 R N -1.524 118.963 120.500 -0.020 0.000 2.362 508 R HA 0.314 4.765 4.340 0.184 0.000 0.227 508 R C -0.066 176.217 176.300 -0.028 0.000 0.905 508 R CA -0.091 55.998 56.100 -0.019 0.000 1.067 508 R CB 0.117 30.406 30.300 -0.017 0.000 1.078 508 R HN 0.459 nan 8.270 nan 0.000 0.516 509 M N 0.746 120.327 119.600 -0.031 0.000 2.342 509 M HA 0.174 4.764 4.480 0.184 0.000 0.332 509 M C 0.211 176.503 176.300 -0.012 0.000 1.166 509 M CA -0.078 55.205 55.300 -0.029 0.000 1.086 509 M CB 1.865 34.446 32.600 -0.031 0.000 1.541 509 M HN -0.035 nan 8.290 nan 0.000 0.462 510 S N 1.403 117.102 115.700 -0.002 0.000 2.671 510 S HA 0.678 5.259 4.470 0.184 0.000 0.277 510 S C -1.006 173.608 174.600 0.024 0.000 1.165 510 S CA -1.097 57.109 58.200 0.010 0.000 0.822 510 S CB 1.225 64.437 63.200 0.019 0.000 1.150 510 S HN 0.495 nan 8.310 nan 0.000 0.479 511 I N 1.843 122.425 120.570 0.019 0.000 2.342 511 I HA 0.465 4.746 4.170 0.184 0.000 0.291 511 I C 1.295 177.452 176.117 0.066 0.000 1.010 511 I CA -0.509 60.798 61.300 0.013 0.000 1.308 511 I CB 0.733 38.709 38.000 -0.040 0.000 1.400 511 I HN 0.995 nan 8.210 nan 0.000 0.488 512 A N 5.558 128.449 122.820 0.119 0.000 1.887 512 A HA 0.069 4.499 4.320 0.184 0.000 0.212 512 A C 0.281 177.921 177.584 0.093 0.000 1.198 512 A CA 1.063 53.209 52.037 0.181 0.000 0.628 512 A CB -0.079 19.125 19.000 0.340 0.000 0.847 512 A HN 0.824 nan 8.150 nan 0.000 0.449 513 D N -3.479 116.944 120.400 0.040 0.000 2.653 513 D HA 0.491 5.242 4.640 0.184 0.000 0.258 513 D C -1.052 175.208 176.300 -0.065 0.000 1.252 513 D CA -0.344 53.653 54.000 -0.006 0.000 0.777 513 D CB 1.433 42.228 40.800 -0.007 0.000 1.339 513 D HN 0.395 nan 8.370 nan 0.000 0.422 514 V N -0.265 119.624 119.914 -0.041 0.000 3.120 514 V HA 0.380 4.611 4.120 0.184 0.000 0.303 514 V C 0.259 176.401 176.094 0.080 0.000 1.238 514 V CA -0.621 61.659 62.300 -0.033 0.000 1.008 514 V CB 1.730 33.533 31.823 -0.033 0.000 1.064 514 V HN 0.907 nan 8.190 nan 0.000 0.434 515 D N 1.273 121.782 120.400 0.182 0.000 2.162 515 D HA 0.003 4.754 4.640 0.184 0.000 0.203 515 D C 0.624 177.044 176.300 0.200 0.000 0.967 515 D CA 1.445 55.556 54.000 0.184 0.000 0.840 515 D CB 0.706 41.645 40.800 0.231 0.000 0.972 515 D HN 0.901 nan 8.370 nan 0.000 0.482 516 S N -1.328 114.541 115.700 0.280 0.000 2.543 516 S HA 0.539 5.120 4.470 0.184 0.000 0.274 516 S C -1.436 173.360 174.600 0.327 0.000 1.149 516 S CA -1.041 57.293 58.200 0.222 0.000 0.866 516 S CB 2.373 65.664 63.200 0.152 0.000 1.111 516 S HN 0.122 nan 8.310 nan 0.000 0.457 517 E N 0.417 120.758 120.200 0.236 0.000 2.272 517 E HA 0.458 4.918 4.350 0.184 0.000 0.269 517 E C -1.479 175.182 176.600 0.102 0.000 0.877 517 E CA -0.728 55.831 56.400 0.264 0.000 0.755 517 E CB 2.080 31.930 29.700 0.249 0.000 1.192 517 E HN 0.650 nan 8.360 nan 0.000 0.422 518 E N 1.286 121.533 120.200 0.078 0.000 2.194 518 E HA 0.174 4.635 4.350 0.184 0.000 0.284 518 E C -0.390 176.192 176.600 -0.031 0.000 1.035 518 E CA 0.278 56.644 56.400 -0.057 0.000 0.836 518 E CB 1.204 30.858 29.700 -0.075 0.000 1.070 518 E HN 0.459 nan 8.360 nan 0.000 0.401 519 T N 2.143 116.643 114.554 -0.089 0.000 3.130 519 T HA 0.413 4.874 4.350 0.184 0.000 0.288 519 T C 0.650 175.293 174.700 -0.096 0.000 0.936 519 T CA 0.616 62.681 62.100 -0.059 0.000 0.897 519 T CB 0.138 68.993 68.868 -0.021 0.000 1.178 519 T HN 0.416 nan 8.240 nan 0.000 0.543 520 A N 1.593 124.312 122.820 -0.168 0.000 1.919 520 A HA 0.320 4.750 4.320 0.184 0.000 0.211 520 A C 2.213 179.688 177.584 -0.180 0.000 1.310 520 A CA 0.226 52.161 52.037 -0.169 0.000 0.651 520 A CB -0.111 18.767 19.000 -0.203 0.000 0.996 520 A HN 0.232 nan 8.150 nan 0.000 0.479 521 R N 0.610 120.928 120.500 -0.302 0.000 2.148 521 R HA 0.037 4.487 4.340 0.184 0.000 0.223 521 R C 0.393 176.664 176.300 -0.050 0.000 1.088 521 R CA 1.335 57.289 56.100 -0.243 0.000 0.985 521 R CB -0.400 29.559 30.300 -0.569 0.000 0.880 521 R HN 0.889 nan 8.270 nan 0.000 0.451 522 E N -0.820 119.357 120.200 -0.037 0.000 2.449 522 E HA 0.182 4.642 4.350 0.184 0.000 0.278 522 E C -1.545 175.056 176.600 0.002 0.000 1.059 522 E CA -0.841 55.591 56.400 0.053 0.000 0.854 522 E CB 0.781 30.608 29.700 0.211 0.000 1.465 522 E HN -0.311 nan 8.360 nan 0.000 0.462 523 D N -0.006 120.372 120.400 -0.036 0.000 2.441 523 D HA 0.319 5.070 4.640 0.184 0.000 0.221 523 D C -0.380 175.842 176.300 -0.130 0.000 1.156 523 D CA 0.013 53.964 54.000 -0.082 0.000 0.896 523 D CB 0.850 41.577 40.800 -0.121 0.000 1.028 523 D HN 0.600 nan 8.370 nan 0.000 0.509 524 G N 3.240 112.051 108.800 0.018 0.000 4.331 524 G HA2 0.081 4.151 3.960 0.184 0.000 0.299 524 G HA3 0.081 4.151 3.960 0.184 0.000 0.299 524 G C 0.564 175.611 174.900 0.246 0.000 1.158 524 G CA -0.497 44.697 45.100 0.156 0.000 0.916 524 G HN 0.251 nan 8.290 nan 0.000 0.553 525 R N 0.791 121.378 120.500 0.145 0.000 2.570 525 R HA 0.366 4.817 4.340 0.184 0.000 0.277 525 R C 0.656 177.086 176.300 0.216 0.000 1.039 525 R CA 0.208 56.405 56.100 0.161 0.000 1.065 525 R CB 0.718 31.055 30.300 0.060 0.000 0.964 525 R HN 0.244 nan 8.270 nan 0.000 0.428 526 A N 2.522 125.428 122.820 0.142 0.000 2.437 526 A HA 0.316 4.746 4.320 0.184 0.000 0.303 526 A C 0.559 178.105 177.584 -0.064 0.000 1.324 526 A CA 0.547 52.499 52.037 -0.141 0.000 0.983 526 A CB -0.078 18.688 19.000 -0.390 0.000 1.142 526 A HN 0.949 nan 8.150 nan 0.000 0.541 527 S N 0.997 116.680 115.700 -0.028 0.000 4.058 527 S HA -0.094 4.487 4.470 0.184 0.000 0.080 527 S C 0.601 175.209 174.600 0.014 0.000 0.810 527 S CA 0.218 58.410 58.200 -0.013 0.000 1.288 527 S CB -1.107 62.091 63.200 -0.005 0.000 0.718 527 S HN 0.502 nan 8.310 nan 0.000 0.739 528 N N 2.381 121.107 118.700 0.044 0.000 2.521 528 N HA 0.130 4.980 4.740 0.184 0.000 0.188 528 N C 1.783 177.345 175.510 0.087 0.000 1.146 528 N CA 1.345 54.428 53.050 0.056 0.000 0.893 528 N CB 0.389 38.907 38.487 0.050 0.000 0.975 528 N HN 0.846 nan 8.380 nan 0.000 0.451 529 V N -1.005 118.958 119.914 0.080 0.000 3.052 529 V HA 0.119 4.350 4.120 0.184 0.000 0.254 529 V C 1.330 177.456 176.094 0.052 0.000 1.100 529 V CA 0.727 63.082 62.300 0.091 0.000 1.112 529 V CB -0.617 31.248 31.823 0.069 0.000 0.738 529 V HN 0.225 nan 8.190 nan 0.000 0.469 530 I N -0.243 120.342 120.570 0.026 0.000 3.736 530 I HA 0.447 4.728 4.170 0.184 0.000 0.338 530 I C 0.733 176.857 176.117 0.013 0.000 1.558 530 I CA 0.136 61.443 61.300 0.013 0.000 1.147 530 I CB -0.004 37.994 38.000 -0.003 0.000 1.275 530 I HN 0.273 nan 8.210 nan 0.000 0.454 531 D N 0.645 121.059 120.400 0.023 0.000 2.433 531 D HA 0.131 4.881 4.640 0.184 0.000 0.211 531 D C 1.413 177.725 176.300 0.020 0.000 1.114 531 D CA 0.316 54.326 54.000 0.018 0.000 0.837 531 D CB 0.485 41.294 40.800 0.015 0.000 0.984 531 D HN 0.429 nan 8.370 nan 0.000 0.505 532 G N 0.837 109.653 108.800 0.027 0.000 2.143 532 G HA2 -0.297 3.774 3.960 0.184 0.000 0.248 532 G HA3 -0.297 3.774 3.960 0.184 0.000 0.248 532 G C -0.118 174.804 174.900 0.037 0.000 0.991 532 G CA 0.147 45.263 45.100 0.028 0.000 0.689 532 G HN 0.594 nan 8.290 nan 0.000 0.522 533 N N 0.067 118.795 118.700 0.047 0.000 2.491 533 N HA 0.488 5.338 4.740 0.184 0.000 0.274 533 N C -1.104 174.456 175.510 0.083 0.000 1.023 533 N CA -2.172 50.915 53.050 0.061 0.000 0.902 533 N CB 2.158 40.674 38.487 0.049 0.000 1.267 533 N HN -0.025 nan 8.380 nan 0.000 0.503 534 P HA -0.000 nan 4.420 nan 0.000 0.234 534 P C 0.410 177.787 177.300 0.129 0.000 1.167 534 P CA 0.642 63.803 63.100 0.101 0.000 0.763 534 P CB 0.432 32.176 31.700 0.074 0.000 0.835 535 S N -0.669 115.107 115.700 0.125 0.000 2.470 535 S HA -0.003 4.578 4.470 0.184 0.000 0.225 535 S C 1.205 175.906 174.600 0.168 0.000 1.006 535 S CA 0.701 58.988 58.200 0.145 0.000 0.934 535 S CB -0.641 62.632 63.200 0.122 0.000 0.778 535 S HN 0.396 nan 8.310 nan 0.000 0.517 536 T N 1.295 115.915 114.554 0.109 0.000 2.867 536 T HA 0.692 5.153 4.350 0.184 0.000 0.282 536 T C -0.540 174.223 174.700 0.105 0.000 1.000 536 T CA -0.917 61.178 62.100 -0.009 0.000 1.042 536 T CB 0.972 69.816 68.868 -0.039 0.000 0.973 536 T HN 0.204 nan 8.240 nan 0.000 0.465 537 F N -0.697 119.319 119.950 0.109 0.000 2.626 537 F HA 0.776 5.413 4.527 0.184 0.000 0.311 537 F C -1.133 174.799 175.800 0.219 0.000 1.088 537 F CA -2.238 55.847 58.000 0.142 0.000 0.949 537 F CB 0.857 39.911 39.000 0.089 0.000 1.322 537 F HN 0.813 nan 8.300 nan 0.000 0.461 538 W N 3.622 125.080 121.300 0.264 0.000 2.315 538 W HA 0.560 5.330 4.660 0.184 0.000 0.316 538 W C -1.503 175.202 176.519 0.310 0.000 1.211 538 W CA -0.454 57.004 57.345 0.189 0.000 1.201 538 W CB 0.484 30.014 29.460 0.117 0.000 1.184 538 W HN 0.753 nan 8.180 nan 0.000 0.544 539 H N 3.387 122.449 119.070 -0.013 0.000 2.679 539 H HA 0.333 4.999 4.556 0.184 0.000 0.360 539 H C -0.618 174.438 175.328 -0.452 0.000 1.105 539 H CA -0.491 55.428 56.048 -0.216 0.000 1.196 539 H CB 1.997 31.882 29.762 0.205 0.000 1.636 539 H HN 0.347 nan 8.280 nan 0.000 0.531 540 T N 3.180 117.514 114.554 -0.368 0.000 2.918 540 T HA -0.006 4.454 4.350 0.184 0.000 0.302 540 T C 0.290 175.021 174.700 0.053 0.000 1.045 540 T CA -0.280 61.647 62.100 -0.289 0.000 1.114 540 T CB 0.280 68.793 68.868 -0.592 0.000 0.965 540 T HN 0.450 nan 8.240 nan 0.000 0.540 541 E N 3.657 123.868 120.200 0.019 0.000 2.757 541 E HA -0.049 4.411 4.350 0.184 0.000 0.238 541 E C 0.323 176.880 176.600 -0.071 0.000 1.057 541 E CA 0.189 56.560 56.400 -0.049 0.000 0.952 541 E CB 0.261 29.956 29.700 -0.009 0.000 0.934 541 E HN 0.499 nan 8.360 nan 0.000 0.518 542 W N 2.219 123.256 121.300 -0.439 0.000 2.169 542 W HA 0.331 5.102 4.660 0.184 0.000 0.447 542 W C 0.081 176.417 176.519 -0.304 0.000 1.829 542 W CA -0.926 55.937 57.345 -0.803 0.000 2.025 542 W CB -0.552 28.096 29.460 -1.352 0.000 1.542 542 W HN 0.141 nan 8.180 nan 0.000 0.727 543 S N 1.363 117.274 115.700 0.352 0.000 2.527 543 S HA -0.127 4.454 4.470 0.184 0.000 0.274 543 S C 0.609 175.193 174.600 -0.027 0.000 1.349 543 S CA 0.514 58.903 58.200 0.314 0.000 1.011 543 S CB -0.101 63.383 63.200 0.474 0.000 0.837 543 S HN 0.492 nan 8.310 nan 0.000 0.524 544 R N -1.055 119.443 120.500 -0.003 0.000 3.305 544 R HA -0.122 4.328 4.340 0.184 0.000 0.268 544 R C -0.275 175.939 176.300 -0.143 0.000 1.087 544 R CA 0.754 56.795 56.100 -0.097 0.000 0.725 544 R CB -2.629 27.550 30.300 -0.201 0.000 1.233 544 R HN 1.506 nan 8.270 nan 0.000 0.416 545 A N -0.041 122.742 122.820 -0.061 0.000 0.791 545 A HA 0.085 4.516 4.320 0.184 0.000 0.178 545 A C -0.833 176.768 177.584 0.029 0.000 1.081 545 A CA -0.527 51.485 52.037 -0.042 0.000 0.850 545 A CB 0.079 19.019 19.000 -0.100 0.000 0.345 545 A HN 0.137 nan 8.150 nan 0.000 0.449 546 D N 2.232 122.666 120.400 0.056 0.000 2.489 546 D HA 0.497 5.248 4.640 0.184 0.000 0.237 546 D C 1.002 177.357 176.300 0.093 0.000 1.212 546 D CA 1.601 55.659 54.000 0.097 0.000 1.058 546 D CB 0.501 41.347 40.800 0.077 0.000 1.098 546 D HN 0.902 nan 8.370 nan 0.000 0.509 547 A N 3.913 126.812 122.820 0.132 0.000 2.275 547 A HA 0.584 5.014 4.320 0.184 0.000 0.282 547 A C -1.894 175.772 177.584 0.137 0.000 1.275 547 A CA -0.874 51.238 52.037 0.126 0.000 0.842 547 A CB -0.167 18.916 19.000 0.139 0.000 1.280 547 A HN 0.387 nan 8.150 nan 0.000 0.508 548 P HA 0.298 nan 4.420 nan 0.000 0.272 548 P C 0.177 177.534 177.300 0.095 0.000 1.240 548 P CA 0.243 63.403 63.100 0.100 0.000 0.791 548 P CB 0.493 32.251 31.700 0.097 0.000 0.978 549 G N -0.755 108.017 108.800 -0.047 0.000 2.641 549 G HA2 0.127 4.197 3.960 0.184 0.000 0.239 549 G HA3 0.127 4.197 3.960 0.184 0.000 0.239 549 G C 0.203 174.769 174.900 -0.555 0.000 1.402 549 G CA -0.399 44.615 45.100 -0.143 0.000 1.046 549 G HN 0.386 nan 8.290 nan 0.000 0.565 550 Y N 0.598 120.657 120.300 -0.402 0.000 2.384 550 Y HA 0.029 4.689 4.550 0.184 0.000 0.289 550 Y C -0.996 174.673 175.900 -0.385 0.000 1.152 550 Y CA 0.966 58.780 58.100 -0.477 0.000 1.258 550 Y CB -0.587 37.773 38.460 -0.165 0.000 0.979 550 Y HN 0.131 nan 8.280 nan 0.000 0.549 551 P HA 0.031 nan 4.420 nan 0.000 0.268 551 P C -0.684 176.568 177.300 -0.081 0.000 1.485 551 P CA 0.470 63.558 63.100 -0.021 0.000 1.102 551 P CB 0.018 31.710 31.700 -0.013 0.000 1.501 552 H N 3.305 122.433 119.070 0.098 0.000 2.502 552 H HA 0.627 5.293 4.556 0.185 0.000 0.338 552 H C 0.966 176.421 175.328 0.212 0.000 1.155 552 H CA -0.264 55.836 56.048 0.086 0.000 1.237 552 H CB 1.802 31.517 29.762 -0.079 0.000 1.534 552 H HN 0.371 nan 8.280 nan 0.000 0.523 553 R N 1.091 121.839 120.500 0.413 0.000 2.663 553 R HA 0.607 5.057 4.340 0.184 0.000 0.267 553 R C -1.838 174.518 176.300 0.094 0.000 1.038 553 R CA -0.803 55.443 56.100 0.245 0.000 0.886 553 R CB 1.436 31.767 30.300 0.052 0.000 1.249 553 R HN 0.557 nan 8.270 nan 0.000 0.463 554 I N 1.621 122.134 120.570 -0.095 0.000 2.534 554 I HA 0.481 4.761 4.170 0.184 0.000 0.288 554 I C -1.368 174.633 176.117 -0.193 0.000 1.077 554 I CA -0.512 60.577 61.300 -0.351 0.000 1.051 554 I CB 2.549 40.033 38.000 -0.860 0.000 1.234 554 I HN 0.855 nan 8.210 nan 0.000 0.425 555 S N 7.331 122.940 115.700 -0.150 0.000 2.482 555 S HA 0.689 5.270 4.470 0.184 0.000 0.303 555 S C -0.956 173.693 174.600 0.081 0.000 1.091 555 S CA -0.579 57.615 58.200 -0.010 0.000 1.057 555 S CB 1.842 65.047 63.200 0.009 0.000 1.031 555 S HN 0.369 nan 8.310 nan 0.000 0.485 556 L N 2.660 123.986 121.223 0.171 0.000 2.329 556 L HA 0.491 4.942 4.340 0.184 0.000 0.279 556 L C -0.223 176.784 176.870 0.228 0.000 1.014 556 L CA -0.440 54.484 54.840 0.140 0.000 0.814 556 L CB 1.444 43.548 42.059 0.075 0.000 1.257 556 L HN 0.586 nan 8.230 nan 0.000 0.424 557 D N 2.438 122.925 120.400 0.145 0.000 2.359 557 D HA 0.172 4.923 4.640 0.184 0.000 0.230 557 D C 0.693 176.936 176.300 -0.095 0.000 1.118 557 D CA -0.326 53.660 54.000 -0.024 0.000 0.844 557 D CB 1.179 41.986 40.800 0.011 0.000 1.059 557 D HN 0.247 nan 8.370 nan 0.000 0.493 558 L N 3.464 124.597 121.223 -0.152 0.000 2.465 558 L HA 0.188 4.639 4.340 0.184 0.000 0.224 558 L C 2.038 178.857 176.870 -0.085 0.000 1.145 558 L CA 1.134 55.912 54.840 -0.103 0.000 0.834 558 L CB -0.801 41.213 42.059 -0.075 0.000 0.944 558 L HN 0.862 nan 8.230 nan 0.000 0.451 559 G N -1.691 107.042 108.800 -0.112 0.000 2.132 559 G HA2 0.071 4.141 3.960 0.184 0.000 0.234 559 G HA3 0.071 4.141 3.960 0.184 0.000 0.234 559 G C 0.561 175.462 174.900 0.002 0.000 0.989 559 G CA 0.105 45.174 45.100 -0.052 0.000 0.676 559 G HN 0.919 nan 8.290 nan 0.000 0.522 560 G N -2.326 106.468 108.800 -0.011 0.000 2.350 560 G HA2 0.550 4.620 3.960 0.184 0.000 0.304 560 G HA3 0.550 4.620 3.960 0.184 0.000 0.304 560 G C -0.486 174.410 174.900 -0.007 0.000 1.421 560 G CA 0.297 45.383 45.100 -0.024 0.000 0.934 560 G HN 1.092 nan 8.290 nan 0.000 0.632 561 T N 1.903 116.372 114.554 -0.142 0.000 2.884 561 T HA 0.606 5.067 4.350 0.184 0.000 0.298 561 T C -0.191 174.315 174.700 -0.323 0.000 0.998 561 T CA 0.136 62.160 62.100 -0.127 0.000 1.124 561 T CB 0.446 69.250 68.868 -0.105 0.000 0.931 561 T HN 0.511 nan 8.240 nan 0.000 0.531 562 H N 0.493 119.548 119.070 -0.025 0.000 2.980 562 H HA 0.295 4.961 4.556 0.185 0.000 0.367 562 H C -0.564 174.770 175.328 0.010 0.000 1.206 562 H CA -0.731 55.311 56.048 -0.010 0.000 1.126 562 H CB 1.970 31.724 29.762 -0.012 0.000 1.838 562 H HN 0.434 nan 8.280 nan 0.000 0.552 563 T N 3.853 118.485 114.554 0.129 0.000 2.747 563 T HA 0.323 4.783 4.350 0.184 0.000 0.301 563 T C 0.792 175.545 174.700 0.089 0.000 0.952 563 T CA -0.498 61.654 62.100 0.087 0.000 0.983 563 T CB -0.752 68.145 68.868 0.049 0.000 0.930 563 T HN 0.342 nan 8.240 nan 0.000 0.494 564 I N 0.541 121.177 120.570 0.110 0.000 2.562 564 I HA 0.725 5.005 4.170 0.184 0.000 0.301 564 I C 0.432 176.540 176.117 -0.016 0.000 1.003 564 I CA -0.853 60.489 61.300 0.069 0.000 1.127 564 I CB 2.231 40.315 38.000 0.140 0.000 1.304 564 I HN 0.474 nan 8.210 nan 0.000 0.446 565 S N 2.256 117.784 115.700 -0.287 0.000 2.952 565 S HA 0.720 5.301 4.470 0.184 0.000 0.251 565 S C 0.148 174.111 174.600 -1.061 0.000 1.021 565 S CA -0.044 57.775 58.200 -0.635 0.000 1.067 565 S CB 0.160 63.182 63.200 -0.296 0.000 1.002 565 S HN 1.446 nan 8.310 nan 0.000 0.574 566 G N 0.592 108.770 108.800 -1.038 0.000 2.316 566 G HA2 0.474 4.545 3.960 0.184 0.000 0.296 566 G HA3 0.474 4.545 3.960 0.184 0.000 0.296 566 G C -2.532 172.213 174.900 -0.258 0.000 1.399 566 G CA -0.631 44.050 45.100 -0.698 0.000 0.833 566 G HN 0.732 nan 8.290 nan 0.000 0.565 567 L N -0.461 120.638 121.223 -0.207 0.000 2.482 567 L HA 0.732 5.182 4.340 0.184 0.000 0.263 567 L C -0.729 175.893 176.870 -0.413 0.000 0.957 567 L CA -0.432 54.260 54.840 -0.247 0.000 0.836 567 L CB 2.157 44.066 42.059 -0.250 0.000 1.324 567 L HN 0.692 nan 8.230 nan 0.000 0.406 568 Q N 3.930 123.540 119.800 -0.318 0.000 2.342 568 Q HA 0.599 5.049 4.340 0.184 0.000 0.267 568 Q C -1.778 174.135 176.000 -0.145 0.000 1.038 568 Q CA -0.807 54.857 55.803 -0.232 0.000 0.832 568 Q CB 2.482 31.177 28.738 -0.072 0.000 1.323 568 Q HN 0.541 nan 8.270 nan 0.000 0.448 569 Y N -1.651 118.643 120.300 -0.009 0.000 2.512 569 Y HA 0.643 5.303 4.550 0.184 0.000 0.348 569 Y C -0.562 175.411 175.900 0.122 0.000 0.990 569 Y CA -1.905 56.242 58.100 0.079 0.000 1.033 569 Y CB 0.848 39.400 38.460 0.152 0.000 1.259 569 Y HN 0.331 nan 8.280 nan 0.000 0.461 570 T N 4.065 118.793 114.554 0.290 0.000 2.792 570 T HA 0.478 4.938 4.350 0.184 0.000 0.280 570 T C 0.185 174.958 174.700 0.121 0.000 0.990 570 T CA -1.014 61.185 62.100 0.165 0.000 0.960 570 T CB 1.051 69.988 68.868 0.114 0.000 0.939 570 T HN 0.407 nan 8.240 nan 0.000 0.439 571 R N 1.644 122.167 120.500 0.038 0.000 2.863 571 R HA 0.205 4.656 4.340 0.184 0.000 0.273 571 R C 0.730 177.015 176.300 -0.025 0.000 1.057 571 R CA -0.515 55.562 56.100 -0.038 0.000 1.191 571 R CB 0.516 30.750 30.300 -0.109 0.000 1.104 571 R HN 0.588 nan 8.270 nan 0.000 0.519 572 R N 1.710 122.156 120.500 -0.090 0.000 2.401 572 R HA -0.050 4.401 4.340 0.184 0.000 0.299 572 R C 0.944 177.169 176.300 -0.125 0.000 1.064 572 R CA -0.089 55.932 56.100 -0.132 0.000 1.000 572 R CB 0.649 30.729 30.300 -0.366 0.000 0.973 572 R HN 0.425 nan 8.270 nan 0.000 0.438 573 Q N 2.646 122.410 119.800 -0.061 0.000 2.046 573 Q HA -0.119 4.332 4.340 0.184 0.000 0.200 573 Q C 0.425 176.379 176.000 -0.078 0.000 0.975 573 Q CA 1.473 57.245 55.803 -0.052 0.000 0.836 573 Q CB 0.008 28.742 28.738 -0.007 0.000 0.896 573 Q HN 0.659 nan 8.270 nan 0.000 0.428 574 N N 0.321 118.967 118.700 -0.090 0.000 2.279 574 N HA 0.087 4.937 4.740 0.184 0.000 0.226 574 N C -0.679 174.746 175.510 -0.143 0.000 1.126 574 N CA 0.065 53.059 53.050 -0.093 0.000 0.846 574 N CB 0.869 39.325 38.487 -0.052 0.000 1.050 574 N HN -0.062 nan 8.380 nan 0.000 0.502 575 S N -0.835 114.751 115.700 -0.190 0.000 2.546 575 S HA 0.581 5.162 4.470 0.184 0.000 0.272 575 S C -0.227 174.251 174.600 -0.204 0.000 1.140 575 S CA -0.452 57.618 58.200 -0.216 0.000 0.920 575 S CB 1.515 64.537 63.200 -0.296 0.000 1.083 575 S HN 0.168 nan 8.310 nan 0.000 0.476 576 A N 3.416 126.130 122.820 -0.177 0.000 2.390 576 A HA 0.310 4.740 4.320 0.184 0.000 0.232 576 A C 0.871 178.359 177.584 -0.159 0.000 1.233 576 A CA -0.044 51.901 52.037 -0.155 0.000 0.907 576 A CB -0.129 18.801 19.000 -0.116 0.000 0.967 576 A HN 0.695 nan 8.150 nan 0.000 0.512 577 N N 1.002 119.575 118.700 -0.211 0.000 2.270 577 N HA 0.011 4.862 4.740 0.184 0.000 0.198 577 N C 0.089 175.513 175.510 -0.143 0.000 1.117 577 N CA 0.433 53.331 53.050 -0.253 0.000 0.845 577 N CB 0.499 38.662 38.487 -0.541 0.000 0.980 577 N HN 0.646 nan 8.380 nan 0.000 0.486 578 E N -0.282 119.826 120.200 -0.153 0.000 2.887 578 E HA 0.097 4.558 4.350 0.184 0.000 0.206 578 E C -0.349 176.170 176.600 -0.135 0.000 0.983 578 E CA -0.167 56.157 56.400 -0.127 0.000 1.141 578 E CB -0.189 29.314 29.700 -0.330 0.000 1.061 578 E HN 0.230 nan 8.360 nan 0.000 0.468 579 Q N 1.292 121.009 119.800 -0.138 0.000 2.293 579 Q HA 0.242 4.693 4.340 0.184 0.000 0.263 579 Q C -0.038 175.833 176.000 -0.215 0.000 1.002 579 Q CA -0.274 55.412 55.803 -0.195 0.000 0.910 579 Q CB 1.739 30.352 28.738 -0.209 0.000 1.185 579 Q HN 0.026 nan 8.270 nan 0.000 0.401 580 V N 2.701 122.447 119.914 -0.279 0.000 2.585 580 V HA 0.034 4.265 4.120 0.184 0.000 0.296 580 V C 0.711 176.495 176.094 -0.518 0.000 1.035 580 V CA 0.611 62.749 62.300 -0.269 0.000 1.084 580 V CB 0.519 32.265 31.823 -0.128 0.000 0.953 580 V HN 0.992 nan 8.190 nan 0.000 0.483 581 A N 4.249 126.928 122.820 -0.235 0.000 2.686 581 A HA 0.238 4.668 4.320 0.184 0.000 0.221 581 A C 0.694 178.377 177.584 0.164 0.000 2.249 581 A CA -0.068 51.887 52.037 -0.136 0.000 1.005 581 A CB -0.133 18.787 19.000 -0.133 0.000 1.391 581 A HN 0.712 nan 8.150 nan 0.000 0.536 582 D N 0.396 120.869 120.400 0.122 0.000 2.348 582 D HA 0.454 5.204 4.640 0.184 0.000 0.253 582 D C -0.995 175.499 176.300 0.324 0.000 1.161 582 D CA 0.583 54.690 54.000 0.177 0.000 0.876 582 D CB 0.720 41.547 40.800 0.046 0.000 1.160 582 D HN 0.444 nan 8.370 nan 0.000 0.459 583 Y N -0.968 119.482 120.300 0.250 0.000 2.662 583 Y HA 0.690 5.351 4.550 0.185 0.000 0.335 583 Y C -0.705 175.290 175.900 0.157 0.000 1.066 583 Y CA -1.146 57.107 58.100 0.255 0.000 1.116 583 Y CB 1.550 40.197 38.460 0.311 0.000 1.308 583 Y HN 0.139 nan 8.280 nan 0.000 0.502 584 E N 1.463 121.855 120.200 0.320 0.000 2.321 584 E HA 0.478 4.939 4.350 0.184 0.000 0.281 584 E C -1.729 174.991 176.600 0.200 0.000 0.910 584 E CA -0.631 55.849 56.400 0.132 0.000 0.770 584 E CB 2.924 32.708 29.700 0.139 0.000 1.225 584 E HN 0.643 nan 8.360 nan 0.000 0.417 585 I N 2.709 123.290 120.570 0.020 0.000 2.412 585 I HA 0.402 4.683 4.170 0.184 0.000 0.296 585 I C -1.040 174.901 176.117 -0.293 0.000 0.987 585 I CA -0.636 60.656 61.300 -0.014 0.000 1.180 585 I CB 0.810 38.800 38.000 -0.016 0.000 1.340 585 I HN 0.422 nan 8.210 nan 0.000 0.455 586 Y N 2.647 122.967 120.300 0.033 0.000 2.499 586 Y HA 0.590 5.251 4.550 0.184 0.000 0.347 586 Y C 0.382 176.457 175.900 0.292 0.000 0.987 586 Y CA -0.756 57.424 58.100 0.133 0.000 1.044 586 Y CB 2.360 40.929 38.460 0.182 0.000 1.245 586 Y HN 0.549 nan 8.280 nan 0.000 0.461 587 T N -1.705 113.083 114.554 0.390 0.000 2.907 587 T HA 0.856 5.316 4.350 0.184 0.000 0.290 587 T C -0.696 174.045 174.700 0.067 0.000 1.066 587 T CA -0.904 61.358 62.100 0.270 0.000 1.012 587 T CB 1.978 70.883 68.868 0.061 0.000 1.184 587 T HN 0.587 nan 8.240 nan 0.000 0.522 588 S N -0.336 115.252 115.700 -0.186 0.000 2.567 588 S HA 0.490 5.071 4.470 0.184 0.000 0.270 588 S C -0.735 173.800 174.600 -0.108 0.000 1.152 588 S CA -0.740 57.218 58.200 -0.404 0.000 0.835 588 S CB 1.009 63.448 63.200 -1.270 0.000 1.115 588 S HN 0.929 nan 8.310 nan 0.000 0.459 589 L N 2.282 123.456 121.223 -0.082 0.000 2.717 589 L HA 0.558 5.009 4.340 0.184 0.000 0.239 589 L C 1.373 178.293 176.870 0.082 0.000 1.086 589 L CA 0.452 55.315 54.840 0.038 0.000 0.897 589 L CB -0.885 41.171 42.059 -0.004 0.000 1.214 589 L HN 0.619 nan 8.230 nan 0.000 0.508 590 N N 0.653 119.313 118.700 -0.067 0.000 2.388 590 N HA 0.180 5.030 4.740 0.184 0.000 0.176 590 N C 1.540 176.905 175.510 -0.242 0.000 1.062 590 N CA 0.988 53.993 53.050 -0.075 0.000 0.895 590 N CB 0.168 38.596 38.487 -0.097 0.000 1.018 590 N HN 0.370 nan 8.380 nan 0.000 0.456 591 G N -1.178 107.218 108.800 -0.673 0.000 2.199 591 G HA2 -0.311 3.760 3.960 0.184 0.000 0.254 591 G HA3 -0.311 3.760 3.960 0.184 0.000 0.254 591 G C 0.869 175.380 174.900 -0.648 0.000 0.982 591 G CA 0.936 45.281 45.100 -1.258 0.000 0.632 591 G HN 0.573 nan 8.290 nan 0.000 0.529 592 T N -0.169 114.137 114.554 -0.413 0.000 3.026 592 T HA 0.310 4.771 4.350 0.184 0.000 0.245 592 T C 1.332 175.979 174.700 -0.088 0.000 1.004 592 T CA 2.092 64.105 62.100 -0.144 0.000 1.069 592 T CB 0.029 68.845 68.868 -0.085 0.000 1.005 592 T HN 1.109 nan 8.240 nan 0.000 0.472 593 T N 0.292 114.722 114.554 -0.206 0.000 2.743 593 T HA 0.547 5.007 4.350 0.184 0.000 0.292 593 T C -1.010 173.567 174.700 -0.204 0.000 0.972 593 T CA -0.761 61.283 62.100 -0.093 0.000 0.967 593 T CB 0.224 69.059 68.868 -0.055 0.000 0.926 593 T HN 0.286 nan 8.240 nan 0.000 0.459 594 W N 3.297 124.584 121.300 -0.022 0.000 2.390 594 W HA 0.434 5.205 4.660 0.184 0.000 0.312 594 W C 0.213 176.800 176.519 0.113 0.000 1.123 594 W CA -0.600 56.762 57.345 0.028 0.000 1.202 594 W CB 1.142 30.583 29.460 -0.031 0.000 1.251 594 W HN 0.719 nan 8.180 nan 0.000 0.511 595 D N 2.267 122.864 120.400 0.329 0.000 2.375 595 D HA 0.738 5.489 4.640 0.184 0.000 0.247 595 D C 0.114 176.554 176.300 0.234 0.000 1.061 595 D CA -0.383 53.769 54.000 0.253 0.000 0.834 595 D CB 2.074 42.935 40.800 0.101 0.000 1.247 595 D HN 0.578 nan 8.370 nan 0.000 0.489 596 G N 2.076 110.969 108.800 0.155 0.000 2.336 596 G HA2 0.236 4.307 3.960 0.184 0.000 0.286 596 G HA3 0.236 4.307 3.960 0.184 0.000 0.286 596 G C -3.002 171.774 174.900 -0.206 0.000 1.269 596 G CA -0.919 44.038 45.100 -0.238 0.000 0.873 596 G HN 0.507 nan 8.290 nan 0.000 0.494 597 P HA 0.320 nan 4.420 nan 0.000 0.271 597 P C 0.738 177.808 177.300 -0.383 0.000 1.220 597 P CA -0.078 62.596 63.100 -0.710 0.000 0.768 597 P CB 1.688 33.121 31.700 -0.445 0.000 0.848 598 V N 1.825 121.490 119.914 -0.415 0.000 3.129 598 V HA 0.151 4.382 4.120 0.184 0.000 0.259 598 V C 1.101 177.069 176.094 -0.210 0.000 1.116 598 V CA 1.705 63.807 62.300 -0.329 0.000 1.127 598 V CB -0.579 30.905 31.823 -0.565 0.000 0.742 598 V HN 0.854 nan 8.190 nan 0.000 0.474 599 A N -1.263 121.450 122.820 -0.178 0.000 2.612 599 A HA 0.812 5.243 4.320 0.184 0.000 0.293 599 A C -0.753 176.775 177.584 -0.094 0.000 1.075 599 A CA -0.320 51.706 52.037 -0.018 0.000 0.680 599 A CB 1.785 20.906 19.000 0.202 0.000 1.279 599 A HN 0.100 nan 8.150 nan 0.000 0.411 600 S N -1.129 114.458 115.700 -0.188 0.000 2.565 600 S HA 0.960 5.541 4.470 0.184 0.000 0.269 600 S C -0.168 174.050 174.600 -0.636 0.000 1.153 600 S CA -0.134 57.802 58.200 -0.440 0.000 0.835 600 S CB 1.895 64.951 63.200 -0.240 0.000 1.122 600 S HN 2.447 nan 8.310 nan 0.000 0.462 601 G N 0.558 108.799 108.800 -0.932 0.000 2.315 601 G HA2 0.534 4.604 3.960 0.184 0.000 0.294 601 G HA3 0.534 4.604 3.960 0.184 0.000 0.294 601 G C -2.170 172.525 174.900 -0.342 0.000 1.300 601 G CA -0.939 43.838 45.100 -0.540 0.000 0.843 601 G HN 0.719 nan 8.290 nan 0.000 0.527 602 R N -0.321 120.233 120.500 0.090 0.000 2.476 602 R HA 0.701 5.152 4.340 0.184 0.000 0.305 602 R C -0.739 175.854 176.300 0.489 0.000 0.965 602 R CA -0.787 55.482 56.100 0.282 0.000 0.867 602 R CB 0.827 31.196 30.300 0.115 0.000 1.176 602 R HN 0.668 nan 8.270 nan 0.000 0.447 603 F N 0.764 120.818 119.950 0.173 0.000 2.450 603 F HA 0.597 5.235 4.527 0.184 0.000 0.328 603 F C 0.564 176.355 175.800 -0.016 0.000 1.068 603 F CA -1.290 56.746 58.000 0.061 0.000 1.007 603 F CB -0.006 38.954 39.000 -0.067 0.000 1.251 603 F HN 0.532 nan 8.300 nan 0.000 0.492 604 T N -2.606 112.017 114.554 0.116 0.000 2.689 604 T HA 0.170 4.631 4.350 0.184 0.000 0.308 604 T C 0.717 175.342 174.700 -0.125 0.000 1.021 604 T CA 0.002 62.093 62.100 -0.014 0.000 0.973 604 T CB 0.271 69.155 68.868 0.027 0.000 1.113 604 T HN 0.694 nan 8.240 nan 0.000 0.522 605 T N 0.878 115.376 114.554 -0.094 0.000 3.144 605 T HA 0.249 4.709 4.350 0.184 0.000 0.249 605 T C 0.839 175.493 174.700 -0.076 0.000 1.089 605 T CA -0.041 61.994 62.100 -0.108 0.000 0.989 605 T CB -0.419 68.398 68.868 -0.085 0.000 0.992 605 T HN 0.670 nan 8.240 nan 0.000 0.540 606 S N 0.905 116.577 115.700 -0.046 0.000 2.537 606 S HA 0.179 4.759 4.470 0.184 0.000 0.286 606 S C 1.264 175.849 174.600 -0.025 0.000 1.299 606 S CA -0.327 57.861 58.200 -0.021 0.000 1.067 606 S CB 0.193 63.401 63.200 0.014 0.000 0.864 606 S HN 0.386 nan 8.310 nan 0.000 0.494 607 L N 3.644 124.852 121.223 -0.024 0.000 2.418 607 L HA 0.175 4.626 4.340 0.184 0.000 0.218 607 L C 1.383 178.252 176.870 -0.003 0.000 1.125 607 L CA 0.266 55.092 54.840 -0.022 0.000 0.835 607 L CB -0.502 41.539 42.059 -0.030 0.000 0.953 607 L HN 0.673 nan 8.230 nan 0.000 0.454 608 A N -0.025 122.797 122.820 0.003 0.000 2.257 608 A HA 0.521 4.952 4.320 0.184 0.000 0.289 608 A C -2.318 175.291 177.584 0.042 0.000 1.095 608 A CA -1.261 50.781 52.037 0.009 0.000 0.836 608 A CB -0.263 18.734 19.000 -0.004 0.000 1.111 608 A HN -0.102 nan 8.150 nan 0.000 0.497 609 P HA 0.328 nan 4.420 nan 0.000 0.271 609 P C -1.095 176.277 177.300 0.119 0.000 1.216 609 P CA 0.083 63.236 63.100 0.090 0.000 0.776 609 P CB 0.495 32.221 31.700 0.042 0.000 0.881 610 Q N 2.093 122.031 119.800 0.230 0.000 2.316 610 Q HA 0.476 4.927 4.340 0.184 0.000 0.264 610 Q C -0.479 175.651 176.000 0.217 0.000 0.987 610 Q CA -0.727 55.225 55.803 0.248 0.000 0.852 610 Q CB 1.672 30.606 28.738 0.327 0.000 1.287 610 Q HN 0.265 nan 8.270 nan 0.000 0.448 611 R N 0.957 121.516 120.500 0.098 0.000 2.457 611 R HA 0.720 5.171 4.340 0.184 0.000 0.284 611 R C -0.797 175.492 176.300 -0.019 0.000 1.024 611 R CA -0.430 55.663 56.100 -0.011 0.000 1.025 611 R CB 0.986 31.276 30.300 -0.015 0.000 1.063 611 R HN 0.582 nan 8.270 nan 0.000 0.493 612 A N 2.181 124.919 122.820 -0.137 0.000 2.545 612 A HA 0.468 4.898 4.320 0.184 0.000 0.300 612 A C -0.874 176.704 177.584 -0.010 0.000 1.252 612 A CA -0.694 51.317 52.037 -0.043 0.000 0.753 612 A CB 0.676 19.510 19.000 -0.276 0.000 1.144 612 A HN 0.422 nan 8.150 nan 0.000 0.457 613 V N 2.547 122.470 119.914 0.015 0.000 2.617 613 V HA 0.800 5.031 4.120 0.184 0.000 0.298 613 V C -0.360 175.756 176.094 0.037 0.000 1.048 613 V CA -0.278 61.953 62.300 -0.116 0.000 0.964 613 V CB 0.998 32.770 31.823 -0.085 0.000 1.004 613 V HN 0.825 nan 8.190 nan 0.000 0.466 614 F N 1.908 121.860 119.950 0.004 0.000 2.654 614 F HA 0.762 5.400 4.527 0.185 0.000 0.308 614 F C -3.097 172.707 175.800 0.007 0.000 1.108 614 F CA -3.236 54.768 58.000 0.007 0.000 0.957 614 F CB 0.774 39.777 39.000 0.006 0.000 1.309 614 F HN 0.225 nan 8.300 nan 0.000 0.446 615 P HA 0.188 nan 4.420 nan 0.000 0.261 615 P C -0.232 177.161 177.300 0.154 0.000 1.183 615 P CA 0.261 63.429 63.100 0.114 0.000 0.761 615 P CB 0.399 32.162 31.700 0.104 0.000 0.785 616 A N 4.723 127.578 122.820 0.060 0.000 2.613 616 A HA 0.229 4.660 4.320 0.184 0.000 0.230 616 A C 0.656 178.314 177.584 0.125 0.000 1.051 616 A CA 0.747 52.823 52.037 0.065 0.000 0.754 616 A CB -0.328 18.685 19.000 0.022 0.000 0.979 616 A HN 0.741 nan 8.150 nan 0.000 0.510 617 R N 0.574 121.165 120.500 0.152 0.000 2.709 617 R HA 0.526 4.977 4.340 0.184 0.000 0.270 617 R C -2.052 174.320 176.300 0.120 0.000 1.038 617 R CA -0.945 55.234 56.100 0.131 0.000 0.872 617 R CB 0.774 31.165 30.300 0.152 0.000 1.259 617 R HN 0.409 nan 8.270 nan 0.000 0.473 618 D N 0.348 120.795 120.400 0.078 0.000 2.255 618 D HA 0.676 5.427 4.640 0.184 0.000 0.249 618 D C -0.660 175.679 176.300 0.065 0.000 1.078 618 D CA 0.189 54.227 54.000 0.063 0.000 0.896 618 D CB 1.840 42.656 40.800 0.027 0.000 1.194 618 D HN 0.749 nan 8.370 nan 0.000 0.429 619 A N 2.031 124.895 122.820 0.073 0.000 2.594 619 A HA 0.412 4.843 4.320 0.184 0.000 0.296 619 A C 0.238 177.852 177.584 0.050 0.000 1.061 619 A CA -0.614 51.462 52.037 0.065 0.000 0.689 619 A CB 1.758 20.820 19.000 0.102 0.000 1.280 619 A HN 0.370 nan 8.150 nan 0.000 0.406 620 R N -0.424 120.076 120.500 0.000 0.000 2.279 620 R HA 0.233 4.683 4.340 0.184 0.000 0.195 620 R C -0.989 175.128 176.300 -0.305 0.000 0.905 620 R CA 1.002 57.007 56.100 -0.159 0.000 1.044 620 R CB 0.154 30.291 30.300 -0.272 0.000 1.056 620 R HN 0.719 nan 8.270 nan 0.000 0.535 621 Y N -0.662 119.622 120.300 -0.026 0.000 2.477 621 Y HA 0.485 5.146 4.550 0.185 0.000 0.347 621 Y C -0.441 175.555 175.900 0.161 0.000 0.981 621 Y CA -0.879 57.241 58.100 0.033 0.000 1.033 621 Y CB 2.168 40.552 38.460 -0.128 0.000 1.245 621 Y HN -0.178 nan 8.280 nan 0.000 0.455 622 I N 3.199 124.038 120.570 0.449 0.000 2.608 622 I HA 0.636 4.917 4.170 0.184 0.000 0.295 622 I C -1.192 175.173 176.117 0.414 0.000 1.049 622 I CA -0.889 60.659 61.300 0.412 0.000 1.063 622 I CB 1.653 39.791 38.000 0.231 0.000 1.248 622 I HN 0.774 nan 8.210 nan 0.000 0.424 623 R N 6.904 127.596 120.500 0.320 0.000 2.628 623 R HA 0.597 5.047 4.340 0.184 0.000 0.288 623 R C -2.288 174.068 176.300 0.094 0.000 0.980 623 R CA -0.722 55.396 56.100 0.030 0.000 0.891 623 R CB 1.889 31.894 30.300 -0.492 0.000 1.188 623 R HN 0.611 nan 8.270 nan 0.000 0.450 624 L N 4.639 125.910 121.223 0.080 0.000 2.313 624 L HA 0.485 4.936 4.340 0.184 0.000 0.283 624 L C -1.460 175.537 176.870 0.211 0.000 1.013 624 L CA -0.531 54.421 54.840 0.187 0.000 0.816 624 L CB 2.020 44.211 42.059 0.221 0.000 1.236 624 L HN 0.453 nan 8.230 nan 0.000 0.419 625 V N 5.471 125.560 119.914 0.291 0.000 2.357 625 V HA 0.723 4.954 4.120 0.184 0.000 0.284 625 V C 0.232 176.548 176.094 0.369 0.000 1.018 625 V CA -0.425 62.042 62.300 0.277 0.000 0.841 625 V CB 1.268 33.250 31.823 0.266 0.000 0.991 625 V HN 0.955 nan 8.190 nan 0.000 0.437 626 A N 5.402 128.468 122.820 0.411 0.000 2.301 626 A HA 0.731 5.162 4.320 0.184 0.000 0.298 626 A C 0.481 178.324 177.584 0.431 0.000 1.185 626 A CA -0.304 52.025 52.037 0.486 0.000 0.830 626 A CB 0.657 20.018 19.000 0.602 0.000 1.112 626 A HN 0.883 nan 8.150 nan 0.000 0.508 627 L N 1.803 123.217 121.223 0.319 0.000 2.537 627 L HA 0.197 4.648 4.340 0.184 0.000 0.224 627 L C 0.925 177.825 176.870 0.051 0.000 1.065 627 L CA 0.845 55.801 54.840 0.194 0.000 0.860 627 L CB 0.180 42.311 42.059 0.121 0.000 1.086 627 L HN 0.844 nan 8.230 nan 0.000 0.482 628 S N -1.942 113.665 115.700 -0.155 0.000 2.615 628 S HA 0.431 5.012 4.470 0.184 0.000 0.269 628 S C -1.255 172.847 174.600 -0.829 0.000 1.161 628 S CA -0.871 56.999 58.200 -0.549 0.000 0.817 628 S CB 2.688 65.733 63.200 -0.259 0.000 1.131 628 S HN -0.017 nan 8.310 nan 0.000 0.467 629 E N 0.137 119.805 120.200 -0.887 0.000 2.207 629 E HA 0.331 4.792 4.350 0.184 0.000 0.270 629 E C 0.523 176.952 176.600 -0.286 0.000 0.927 629 E CA -0.650 55.426 56.400 -0.539 0.000 0.799 629 E CB 1.989 31.465 29.700 -0.373 0.000 1.172 629 E HN 0.728 nan 8.360 nan 0.000 0.404 630 Q N 1.137 120.816 119.800 -0.203 0.000 2.118 630 Q HA -0.160 4.291 4.340 0.184 0.000 0.211 630 Q C 1.252 177.184 176.000 -0.113 0.000 0.998 630 Q CA 2.273 57.985 55.803 -0.151 0.000 0.872 630 Q CB -0.124 28.527 28.738 -0.144 0.000 0.925 630 Q HN 0.433 nan 8.270 nan 0.000 0.414 631 T N -1.928 112.578 114.554 -0.079 0.000 3.308 631 T HA 0.418 4.879 4.350 0.184 0.000 0.270 631 T C 0.524 175.097 174.700 -0.212 0.000 0.992 631 T CA 0.490 62.537 62.100 -0.088 0.000 0.931 631 T CB -0.484 68.387 68.868 0.005 0.000 1.142 631 T HN 0.539 nan 8.240 nan 0.000 0.525 632 G N 1.459 110.135 108.800 -0.205 0.000 2.175 632 G HA2 -0.269 3.802 3.960 0.184 0.000 0.265 632 G HA3 -0.269 3.802 3.960 0.184 0.000 0.265 632 G C 0.057 174.816 174.900 -0.234 0.000 0.979 632 G CA 0.760 45.718 45.100 -0.237 0.000 0.663 632 G HN 0.701 nan 8.290 nan 0.000 0.533 633 H N -0.178 118.832 119.070 -0.100 0.000 2.703 633 H HA 0.421 5.087 4.556 0.185 0.000 0.377 633 H C 1.741 177.065 175.328 -0.008 0.000 1.392 633 H CA 0.918 56.923 56.048 -0.071 0.000 1.458 633 H CB 0.475 30.202 29.762 -0.058 0.000 1.529 633 H HN 0.387 nan 8.280 nan 0.000 0.619 634 K N -0.118 120.276 120.400 -0.009 0.000 2.374 634 K HA 0.096 4.527 4.320 0.184 0.000 0.196 634 K C -0.779 175.722 176.600 -0.164 0.000 1.023 634 K CA 0.261 56.492 56.287 -0.093 0.000 1.103 634 K CB 0.602 32.907 32.500 -0.324 0.000 0.848 634 K HN 0.309 nan 8.250 nan 0.000 0.528 635 Y N 0.860 121.305 120.300 0.243 0.000 2.528 635 Y HA 0.646 5.307 4.550 0.184 0.000 0.335 635 Y C -0.121 175.679 175.900 -0.166 0.000 1.093 635 Y CA -1.679 56.398 58.100 -0.038 0.000 1.134 635 Y CB 1.742 40.227 38.460 0.042 0.000 1.253 635 Y HN 0.026 nan 8.280 nan 0.000 0.478 636 A N 0.854 123.423 122.820 -0.419 0.000 2.386 636 A HA 0.948 5.379 4.320 0.184 0.000 0.311 636 A C -1.307 175.791 177.584 -0.810 0.000 1.068 636 A CA -0.493 51.271 52.037 -0.456 0.000 0.743 636 A CB 0.943 19.654 19.000 -0.482 0.000 1.258 636 A HN 1.002 nan 8.150 nan 0.000 0.429 637 A N 1.457 123.942 122.820 -0.559 0.000 2.408 637 A HA 0.676 5.107 4.320 0.184 0.000 0.295 637 A C -1.279 176.252 177.584 -0.089 0.000 1.040 637 A CA -0.401 51.356 52.037 -0.467 0.000 0.707 637 A CB 1.390 19.997 19.000 -0.655 0.000 1.235 637 A HN 1.313 nan 8.150 nan 0.000 0.418 638 V N 2.278 122.321 119.914 0.214 0.000 2.487 638 V HA 0.557 4.787 4.120 0.184 0.000 0.298 638 V C 1.115 177.403 176.094 0.323 0.000 1.028 638 V CA 0.173 62.660 62.300 0.312 0.000 0.860 638 V CB 1.229 33.350 31.823 0.497 0.000 0.991 638 V HN 1.254 nan 8.190 nan 0.000 0.427 639 A N 3.584 126.546 122.820 0.238 0.000 1.872 639 A HA 0.149 4.580 4.320 0.184 0.000 0.214 639 A C 0.813 178.516 177.584 0.198 0.000 1.187 639 A CA 1.169 53.349 52.037 0.238 0.000 0.614 639 A CB 0.064 19.166 19.000 0.170 0.000 0.826 639 A HN 0.704 nan 8.150 nan 0.000 0.442 640 E N -1.482 118.825 120.200 0.178 0.000 2.383 640 E HA 0.622 5.083 4.350 0.184 0.000 0.275 640 E C -1.779 174.909 176.600 0.147 0.000 0.918 640 E CA -0.400 56.083 56.400 0.137 0.000 0.764 640 E CB 1.782 31.543 29.700 0.100 0.000 1.252 640 E HN 0.242 nan 8.360 nan 0.000 0.449 641 L N 1.846 123.125 121.223 0.093 0.000 2.406 641 L HA 0.402 4.853 4.340 0.184 0.000 0.272 641 L C -0.664 176.211 176.870 0.009 0.000 0.980 641 L CA -0.709 54.165 54.840 0.056 0.000 0.831 641 L CB 2.012 44.097 42.059 0.043 0.000 1.253 641 L HN 0.362 nan 8.230 nan 0.000 0.406 642 E N 2.029 122.214 120.200 -0.024 0.000 2.199 642 E HA 0.542 5.002 4.350 0.184 0.000 0.269 642 E C -1.322 175.236 176.600 -0.070 0.000 0.899 642 E CA -0.436 55.941 56.400 -0.039 0.000 0.772 642 E CB 2.461 32.141 29.700 -0.033 0.000 1.155 642 E HN 0.182 nan 8.360 nan 0.000 0.408 643 V N 4.087 123.964 119.914 -0.061 0.000 2.384 643 V HA 0.296 4.526 4.120 0.184 0.000 0.287 643 V C -0.309 175.741 176.094 -0.074 0.000 1.020 643 V CA -0.785 61.477 62.300 -0.064 0.000 0.850 643 V CB 1.487 33.284 31.823 -0.043 0.000 0.987 643 V HN 0.630 nan 8.190 nan 0.000 0.436 644 E N 3.543 123.686 120.200 -0.096 0.000 2.223 644 E HA 0.626 5.087 4.350 0.184 0.000 0.282 644 E C 0.410 176.956 176.600 -0.090 0.000 1.046 644 E CA -0.018 56.324 56.400 -0.097 0.000 0.857 644 E CB 1.632 31.250 29.700 -0.137 0.000 1.055 644 E HN 0.915 nan 8.360 nan 0.000 0.409 645 G N 2.204 110.971 108.800 -0.056 0.000 2.428 645 G HA2 0.192 4.263 3.960 0.184 0.000 0.304 645 G HA3 0.192 4.263 3.960 0.184 0.000 0.304 645 G C -1.571 173.330 174.900 0.001 0.000 1.303 645 G CA -0.821 44.264 45.100 -0.025 0.000 0.825 645 G HN 0.303 nan 8.290 nan 0.000 0.484 646 Q N 0.739 120.569 119.800 0.049 0.000 2.290 646 Q HA 0.565 5.015 4.340 0.184 0.000 0.259 646 Q C 0.738 176.832 176.000 0.155 0.000 0.941 646 Q CA -0.396 55.448 55.803 0.069 0.000 0.912 646 Q CB 1.453 30.225 28.738 0.056 0.000 1.244 646 Q HN 0.501 nan 8.270 nan 0.000 0.441 647 R N 0.000 120.560 120.500 0.100 0.000 2.786 647 R HA 0.000 4.451 4.340 0.184 0.000 0.208 647 R CA 0.000 56.184 56.100 0.139 0.000 0.921 647 R CB 0.000 30.334 30.300 0.057 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535