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 2bzd_1_B 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 GMDANKTVEL 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 3.959 3.960 -0.002 0.000 0.244 47 G C 0.000 174.962 174.900 0.103 0.000 0.946 47 G CA 0.000 45.154 45.100 0.089 0.000 0.502 48 E N 2.027 122.289 120.200 0.103 0.000 2.259 48 E HA 0.552 4.901 4.350 -0.002 0.000 0.281 48 E C -2.397 174.298 176.600 0.160 0.000 1.027 48 E CA -1.632 54.837 56.400 0.116 0.000 0.838 48 E CB 1.570 31.328 29.700 0.096 0.000 1.066 48 E HN 0.070 nan 8.360 nan 0.000 0.401 49 P HA 0.013 nan 4.420 nan 0.000 0.267 49 P C -1.271 176.214 177.300 0.308 0.000 1.209 49 P CA -0.089 63.189 63.100 0.298 0.000 0.763 49 P CB 0.368 32.249 31.700 0.302 0.000 0.816 50 L N 5.907 127.325 121.223 0.325 0.000 2.313 50 L HA 0.609 4.948 4.340 -0.002 0.000 0.283 50 L C -1.518 175.427 176.870 0.125 0.000 1.013 50 L CA -0.664 54.296 54.840 0.199 0.000 0.816 50 L CB 0.808 42.938 42.059 0.119 0.000 1.236 50 L HN 0.306 nan 8.230 nan 0.000 0.419 51 Y N 4.054 124.278 120.300 -0.126 0.000 2.298 51 Y HA 0.568 5.117 4.550 -0.001 0.000 0.322 51 Y C -0.901 174.899 175.900 -0.166 0.000 1.138 51 Y CA -0.290 57.595 58.100 -0.357 0.000 1.127 51 Y CB 1.519 39.437 38.460 -0.903 0.000 1.178 51 Y HN 0.787 nan 8.280 nan 0.000 0.428 52 T N 2.182 116.413 114.554 -0.539 0.000 2.916 52 T HA 0.819 5.168 4.350 -0.002 0.000 0.292 52 T C -0.986 173.417 174.700 -0.495 0.000 1.055 52 T CA -0.867 61.046 62.100 -0.312 0.000 1.009 52 T CB 2.580 71.361 68.868 -0.145 0.000 1.118 52 T HN 0.695 nan 8.240 nan 0.000 0.497 53 E N 0.737 120.812 120.200 -0.209 0.000 2.413 53 E HA 0.594 4.943 4.350 -0.002 0.000 0.277 53 E C -1.672 174.891 176.600 -0.061 0.000 0.958 53 E CA -1.223 55.075 56.400 -0.170 0.000 0.779 53 E CB 2.018 31.679 29.700 -0.066 0.000 1.278 53 E HN 0.882 nan 8.360 nan 0.000 0.456 54 Q N 1.018 120.778 119.800 -0.067 0.000 2.353 54 Q HA 0.394 4.733 4.340 -0.002 0.000 0.275 54 Q C -1.455 174.463 176.000 -0.136 0.000 1.029 54 Q CA -1.024 54.747 55.803 -0.053 0.000 0.848 54 Q CB 1.746 30.493 28.738 0.014 0.000 1.390 54 Q HN 0.385 nan 8.270 nan 0.000 0.401 55 D N 1.974 122.283 120.400 -0.152 0.000 2.399 55 D HA 0.162 4.801 4.640 -0.002 0.000 0.241 55 D C 0.414 176.548 176.300 -0.278 0.000 1.133 55 D CA 0.191 54.056 54.000 -0.225 0.000 0.890 55 D CB 1.342 42.035 40.800 -0.178 0.000 1.201 55 D HN 0.597 nan 8.370 nan 0.000 0.432 56 L N 0.093 121.083 121.223 -0.388 0.000 2.803 56 L HA 0.323 4.662 4.340 -0.002 0.000 0.246 56 L C 0.481 177.069 176.870 -0.469 0.000 1.100 56 L CA 0.061 54.636 54.840 -0.441 0.000 0.919 56 L CB 0.493 42.192 42.059 -0.599 0.000 1.285 56 L HN 0.301 nan 8.230 nan 0.000 0.522 57 A N 0.565 123.032 122.820 -0.589 0.000 2.437 57 A HA 0.678 4.997 4.320 -0.002 0.000 0.293 57 A C -1.216 176.085 177.584 -0.471 0.000 1.038 57 A CA -0.298 51.273 52.037 -0.777 0.000 0.708 57 A CB 1.655 19.764 19.000 -1.486 0.000 1.251 57 A HN -0.157 nan 8.150 nan 0.000 0.409 58 V N 3.060 122.824 119.914 -0.249 0.000 2.495 58 V HA 0.320 4.439 4.120 -0.002 0.000 0.298 58 V C -0.266 175.929 176.094 0.168 0.000 1.031 58 V CA -1.162 61.111 62.300 -0.045 0.000 0.871 58 V CB 1.884 33.681 31.823 -0.044 0.000 0.988 58 V HN 0.885 nan 8.190 nan 0.000 0.432 59 N N 3.185 121.993 118.700 0.180 0.000 2.412 59 N HA 0.257 4.996 4.740 -0.002 0.000 0.258 59 N C 1.204 176.793 175.510 0.132 0.000 1.236 59 N CA 1.380 54.544 53.050 0.189 0.000 0.882 59 N CB 0.979 39.507 38.487 0.067 0.000 1.066 59 N HN 1.172 nan 8.380 nan 0.000 0.465 60 G N 1.596 110.473 108.800 0.128 0.000 2.194 60 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.236 60 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.236 60 G C 0.111 175.076 174.900 0.109 0.000 0.987 60 G CA -0.240 44.908 45.100 0.079 0.000 0.635 60 G HN 0.578 nan 8.290 nan 0.000 0.520 61 R N 0.077 120.696 120.500 0.197 0.000 2.562 61 R HA 0.585 4.924 4.340 -0.002 0.000 0.298 61 R C 0.217 176.667 176.300 0.251 0.000 0.961 61 R CA -0.530 55.666 56.100 0.159 0.000 0.881 61 R CB 1.033 31.390 30.300 0.095 0.000 1.159 61 R HN 0.104 nan 8.270 nan 0.000 0.450 62 E N 0.927 121.226 120.200 0.165 0.000 2.868 62 E HA -0.212 4.137 4.350 -0.002 0.000 0.278 62 E C 0.546 177.285 176.600 0.232 0.000 1.009 62 E CA 1.327 57.838 56.400 0.184 0.000 0.856 62 E CB -1.656 28.149 29.700 0.175 0.000 1.428 62 E HN 1.171 nan 8.360 nan 0.000 0.423 63 G N -1.321 107.529 108.800 0.084 0.000 2.211 63 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.201 63 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.201 63 G C -0.069 174.478 174.900 -0.589 0.000 0.997 63 G CA -0.121 44.832 45.100 -0.244 0.000 0.652 63 G HN 0.151 nan 8.290 nan 0.000 0.500 64 F N 0.301 120.214 119.950 -0.063 0.000 2.591 64 F HA 0.549 5.075 4.527 -0.002 0.000 0.309 64 F C -1.574 174.041 175.800 -0.309 0.000 1.098 64 F CA -1.700 56.122 58.000 -0.297 0.000 0.937 64 F CB 2.355 40.963 39.000 -0.654 0.000 1.250 64 F HN -0.169 nan 8.300 nan 0.000 0.447 65 P HA -0.050 nan 4.420 nan 0.000 0.229 65 P C -0.744 176.490 177.300 -0.109 0.000 1.160 65 P CA 1.033 64.096 63.100 -0.061 0.000 0.777 65 P CB 0.562 32.236 31.700 -0.043 0.000 0.814 66 N N -0.963 117.594 118.700 -0.239 0.000 2.308 66 N HA 0.275 5.014 4.740 -0.002 0.000 0.283 66 N C -1.512 173.713 175.510 -0.475 0.000 1.105 66 N CA -0.330 52.575 53.050 -0.241 0.000 0.840 66 N CB 1.712 40.117 38.487 -0.137 0.000 1.633 66 N HN -0.129 nan 8.380 nan 0.000 0.476 67 Y N 0.503 120.762 120.300 -0.067 0.000 2.406 67 Y HA 0.513 5.062 4.550 -0.002 0.000 0.340 67 Y C 0.186 176.005 175.900 -0.135 0.000 0.975 67 Y CA -0.573 57.461 58.100 -0.109 0.000 1.056 67 Y CB 1.941 40.289 38.460 -0.186 0.000 1.210 67 Y HN 0.205 nan 8.280 nan 0.000 0.448 68 R N 2.589 123.109 120.500 0.033 0.000 2.764 68 R HA 0.624 4.963 4.340 -0.002 0.000 0.270 68 R C -1.560 174.735 176.300 -0.009 0.000 1.014 68 R CA -1.061 55.006 56.100 -0.055 0.000 0.904 68 R CB 2.414 32.632 30.300 -0.137 0.000 1.236 68 R HN 0.667 nan 8.270 nan 0.000 0.466 69 I N -0.047 120.495 120.570 -0.048 0.000 6.624 69 I HA -0.117 4.052 4.170 -0.002 0.000 0.126 69 I C -2.500 173.702 176.117 0.141 0.000 1.828 69 I CA -0.529 60.804 61.300 0.056 0.000 2.037 69 I CB -1.763 36.253 38.000 0.026 0.000 3.518 69 I HN 0.492 nan 8.210 nan 0.000 0.169 70 P HA 0.416 nan 4.420 nan 0.000 0.271 70 P C -0.188 177.209 177.300 0.162 0.000 1.226 70 P CA 0.199 63.405 63.100 0.175 0.000 0.765 70 P CB 1.621 33.418 31.700 0.161 0.000 0.835 71 A N 4.171 127.077 122.820 0.144 0.000 2.355 71 A HA 0.751 5.071 4.320 -0.002 0.000 0.317 71 A C -1.235 176.551 177.584 0.338 0.000 1.094 71 A CA -0.728 51.397 52.037 0.147 0.000 0.764 71 A CB 1.009 19.945 19.000 -0.106 0.000 1.230 71 A HN 0.567 nan 8.150 nan 0.000 0.448 72 L N 1.241 122.718 121.223 0.424 0.000 2.472 72 L HA 0.878 5.217 4.340 -0.002 0.000 0.260 72 L C -0.371 176.693 176.870 0.324 0.000 0.963 72 L CA 0.316 55.403 54.840 0.412 0.000 0.829 72 L CB 2.395 44.631 42.059 0.295 0.000 1.348 72 L HN 0.877 nan 8.230 nan 0.000 0.408 73 T N 2.218 116.832 114.554 0.101 0.000 2.762 73 T HA 0.748 5.097 4.350 -0.002 0.000 0.301 73 T C -1.838 172.817 174.700 -0.076 0.000 1.299 73 T CA -0.341 61.747 62.100 -0.020 0.000 1.005 73 T CB 1.515 70.301 68.868 -0.136 0.000 1.377 73 T HN 0.420 nan 8.240 nan 0.000 0.504 74 V N 2.850 122.730 119.914 -0.057 0.000 2.448 74 V HA 0.547 4.666 4.120 -0.002 0.000 0.295 74 V C 0.786 176.829 176.094 -0.086 0.000 1.025 74 V CA -0.835 61.420 62.300 -0.076 0.000 0.859 74 V CB 1.392 33.188 31.823 -0.046 0.000 0.988 74 V HN 1.118 nan 8.190 nan 0.000 0.431 75 T N 2.498 116.983 114.554 -0.115 0.000 2.860 75 T HA 0.250 4.600 4.350 -0.002 0.000 0.299 75 T C -1.574 173.080 174.700 -0.076 0.000 1.045 75 T CA -1.382 60.654 62.100 -0.106 0.000 1.071 75 T CB 1.125 69.915 68.868 -0.130 0.000 0.985 75 T HN 0.451 nan 8.240 nan 0.000 0.537 76 P HA -0.061 nan 4.420 nan 0.000 0.218 76 P C 0.751 178.017 177.300 -0.057 0.000 1.146 76 P CA 0.998 64.069 63.100 -0.048 0.000 0.813 76 P CB 0.048 31.719 31.700 -0.049 0.000 0.778 77 D N -2.569 117.786 120.400 -0.075 0.000 2.349 77 D HA 0.160 4.799 4.640 -0.002 0.000 0.214 77 D C 1.554 177.804 176.300 -0.083 0.000 1.063 77 D CA 0.803 54.757 54.000 -0.076 0.000 0.847 77 D CB 0.162 40.912 40.800 -0.083 0.000 0.933 77 D HN 0.155 nan 8.370 nan 0.000 0.513 78 G N 1.069 109.817 108.800 -0.088 0.000 2.195 78 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.224 78 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.224 78 G C -0.038 174.784 174.900 -0.130 0.000 0.990 78 G CA -0.384 44.658 45.100 -0.096 0.000 0.639 78 G HN 0.185 nan 8.290 nan 0.000 0.514 79 D N 0.429 120.742 120.400 -0.145 0.000 2.372 79 D HA 0.519 5.158 4.640 -0.002 0.000 0.243 79 D C 0.529 176.705 176.300 -0.208 0.000 1.121 79 D CA 0.023 53.907 54.000 -0.193 0.000 0.898 79 D CB 1.138 41.833 40.800 -0.175 0.000 1.202 79 D HN 0.144 nan 8.370 nan 0.000 0.428 80 L N 1.875 122.918 121.223 -0.299 0.000 2.289 80 L HA 0.364 4.703 4.340 -0.002 0.000 0.285 80 L C -0.212 176.546 176.870 -0.187 0.000 1.049 80 L CA -0.219 54.465 54.840 -0.259 0.000 0.804 80 L CB 0.835 42.668 42.059 -0.376 0.000 1.195 80 L HN 0.149 nan 8.230 nan 0.000 0.428 81 L N 3.560 124.739 121.223 -0.073 0.000 2.319 81 L HA 0.748 5.087 4.340 -0.002 0.000 0.281 81 L C -0.178 176.848 176.870 0.261 0.000 1.005 81 L CA -0.610 54.249 54.840 0.031 0.000 0.828 81 L CB 1.619 43.523 42.059 -0.258 0.000 1.227 81 L HN 0.710 nan 8.230 nan 0.000 0.415 82 A N 2.629 125.720 122.820 0.451 0.000 2.304 82 A HA 0.728 5.048 4.320 -0.002 0.000 0.323 82 A C -0.391 177.390 177.584 0.328 0.000 1.195 82 A CA -0.374 51.891 52.037 0.380 0.000 0.826 82 A CB 1.659 20.726 19.000 0.112 0.000 1.184 82 A HN 0.564 nan 8.150 nan 0.000 0.496 83 S N 1.316 117.181 115.700 0.274 0.000 2.548 83 S HA 0.912 5.381 4.470 -0.002 0.000 0.286 83 S C -1.104 173.463 174.600 -0.055 0.000 1.098 83 S CA -0.448 57.691 58.200 -0.103 0.000 0.930 83 S CB 0.869 63.889 63.200 -0.300 0.000 1.070 83 S HN 1.277 nan 8.310 nan 0.000 0.480 84 Y N -0.307 119.936 120.300 -0.096 0.000 2.750 84 Y HA 0.609 5.158 4.550 -0.001 0.000 0.335 84 Y C -1.355 174.474 175.900 -0.118 0.000 1.252 84 Y CA -1.403 56.645 58.100 -0.086 0.000 1.064 84 Y CB -0.072 38.350 38.460 -0.063 0.000 1.321 84 Y HN 0.370 nan 8.280 nan 0.000 0.451 85 D N 0.535 120.984 120.400 0.082 0.000 2.304 85 D HA 0.473 5.112 4.640 -0.002 0.000 0.250 85 D C -0.086 176.160 176.300 -0.090 0.000 1.107 85 D CA 0.346 54.303 54.000 -0.072 0.000 0.885 85 D CB 1.525 42.275 40.800 -0.083 0.000 1.192 85 D HN 0.958 nan 8.370 nan 0.000 0.436 86 G N 1.814 110.332 108.800 -0.470 0.000 2.335 86 G HA2 0.466 4.425 3.960 -0.002 0.000 0.314 86 G HA3 0.466 4.425 3.960 -0.002 0.000 0.314 86 G C -0.343 174.109 174.900 -0.747 0.000 1.129 86 G CA -0.753 43.619 45.100 -1.212 0.000 0.912 86 G HN 0.287 nan 8.290 nan 0.000 0.443 87 R N 3.684 123.932 120.500 -0.420 0.000 2.312 87 R HA 0.233 4.572 4.340 -0.002 0.000 0.310 87 R C -2.024 174.302 176.300 0.043 0.000 1.064 87 R CA -1.601 54.425 56.100 -0.123 0.000 0.983 87 R CB 2.383 32.604 30.300 -0.132 0.000 1.139 87 R HN 0.297 nan 8.270 nan 0.000 0.536 88 P HA -0.160 nan 4.420 nan 0.000 0.219 88 P C 0.912 178.227 177.300 0.025 0.000 1.146 88 P CA 1.330 64.502 63.100 0.119 0.000 0.808 88 P CB 0.370 32.133 31.700 0.106 0.000 0.779 89 T N -6.847 107.709 114.554 0.004 0.000 3.132 89 T HA 0.465 4.814 4.350 -0.002 0.000 0.274 89 T C 1.330 176.009 174.700 -0.034 0.000 1.011 89 T CA 0.207 62.296 62.100 -0.018 0.000 0.899 89 T CB -0.351 68.505 68.868 -0.019 0.000 1.089 89 T HN 0.185 nan 8.240 nan 0.000 0.543 90 G N 2.151 110.924 108.800 -0.045 0.000 2.148 90 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.254 90 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.254 90 G C 0.033 174.892 174.900 -0.069 0.000 0.981 90 G CA 0.439 45.502 45.100 -0.062 0.000 0.670 90 G HN 1.107 nan 8.290 nan 0.000 0.528 91 I N -3.444 117.085 120.570 -0.068 0.000 3.067 91 I HA 0.856 5.025 4.170 -0.002 0.000 0.312 91 I C 0.007 176.070 176.117 -0.089 0.000 1.073 91 I CA -1.408 59.848 61.300 -0.074 0.000 1.016 91 I CB 1.697 39.661 38.000 -0.060 0.000 1.227 91 I HN -0.085 nan 8.210 nan 0.000 0.456 92 D N 1.808 122.148 120.400 -0.101 0.000 2.414 92 D HA 0.439 5.078 4.640 -0.002 0.000 0.259 92 D C 0.034 176.273 176.300 -0.103 0.000 1.269 92 D CA 0.043 53.972 54.000 -0.119 0.000 1.028 92 D CB 1.273 41.980 40.800 -0.154 0.000 1.093 92 D HN 0.850 nan 8.370 nan 0.000 0.545 93 A N 0.637 123.390 122.820 -0.112 0.000 2.565 93 A HA 0.182 4.501 4.320 -0.002 0.000 0.237 93 A C -1.750 175.786 177.584 -0.079 0.000 1.053 93 A CA -0.502 51.477 52.037 -0.097 0.000 0.755 93 A CB -0.172 18.771 19.000 -0.094 0.000 0.980 93 A HN 0.470 nan 8.150 nan 0.000 0.506 94 P HA 0.153 nan 4.420 nan 0.000 0.253 94 P C 0.662 177.917 177.300 -0.076 0.000 1.459 94 P CA 0.289 63.337 63.100 -0.086 0.000 0.908 94 P CB -0.182 31.471 31.700 -0.079 0.000 1.470 95 G N 2.844 111.603 108.800 -0.069 0.000 2.414 95 G HA2 0.120 4.080 3.960 -0.002 0.000 0.236 95 G HA3 0.120 4.080 3.960 -0.002 0.000 0.236 95 G C -1.996 172.873 174.900 -0.052 0.000 1.293 95 G CA -0.831 44.237 45.100 -0.054 0.000 0.869 95 G HN 0.080 nan 8.290 nan 0.000 0.556 96 P HA 0.072 nan 4.420 nan 0.000 0.226 96 P C -0.501 176.820 177.300 0.034 0.000 1.783 96 P CA -0.390 62.707 63.100 -0.005 0.000 0.980 96 P CB -0.016 31.694 31.700 0.017 0.000 1.967 97 N N 0.289 118.991 118.700 0.003 0.000 2.493 97 N HA 0.284 5.023 4.740 -0.002 0.000 0.275 97 N C 0.106 175.650 175.510 0.056 0.000 1.186 97 N CA -0.175 52.876 53.050 0.001 0.000 0.978 97 N CB 0.730 39.181 38.487 -0.059 0.000 1.184 97 N HN 0.052 nan 8.380 nan 0.000 0.487 98 S N 0.525 116.203 115.700 -0.036 0.000 2.503 98 S HA 0.506 4.976 4.470 -0.002 0.000 0.301 98 S C -0.096 174.388 174.600 -0.194 0.000 1.087 98 S CA -0.727 57.450 58.200 -0.039 0.000 1.042 98 S CB 1.166 64.382 63.200 0.027 0.000 1.043 98 S HN 0.274 nan 8.310 nan 0.000 0.489 99 I N 3.651 124.073 120.570 -0.247 0.000 2.352 99 I HA 0.327 4.496 4.170 -0.002 0.000 0.290 99 I C -0.123 175.761 176.117 -0.387 0.000 1.036 99 I CA -0.045 61.028 61.300 -0.378 0.000 1.336 99 I CB 0.017 37.666 38.000 -0.586 0.000 1.407 99 I HN 0.482 nan 8.210 nan 0.000 0.497 100 L N 5.726 126.665 121.223 -0.473 0.000 2.298 100 L HA 0.644 4.983 4.340 -0.002 0.000 0.268 100 L C -0.161 176.395 176.870 -0.523 0.000 1.010 100 L CA -0.752 53.798 54.840 -0.482 0.000 0.812 100 L CB 1.429 43.160 42.059 -0.547 0.000 1.331 100 L HN 0.521 nan 8.230 nan 0.000 0.450 101 Q N 0.601 120.206 119.800 -0.324 0.000 2.352 101 Q HA 0.486 4.825 4.340 -0.002 0.000 0.270 101 Q C -1.783 174.236 176.000 0.033 0.000 1.006 101 Q CA -0.775 54.961 55.803 -0.111 0.000 0.880 101 Q CB 2.465 31.247 28.738 0.073 0.000 1.392 101 Q HN 0.574 nan 8.270 nan 0.000 0.401 102 R N 2.019 122.623 120.500 0.173 0.000 2.670 102 R HA 0.552 4.891 4.340 -0.002 0.000 0.289 102 R C -0.851 175.687 176.300 0.397 0.000 0.965 102 R CA -0.855 55.426 56.100 0.303 0.000 0.899 102 R CB 2.343 32.859 30.300 0.360 0.000 1.173 102 R HN 0.540 nan 8.270 nan 0.000 0.456 103 R N 0.917 121.558 120.500 0.236 0.000 2.514 103 R HA 0.329 4.668 4.340 -0.002 0.000 0.301 103 R C -1.090 175.037 176.300 -0.289 0.000 0.962 103 R CA -0.251 55.846 56.100 -0.003 0.000 0.882 103 R CB 1.926 32.205 30.300 -0.036 0.000 1.143 103 R HN 0.517 nan 8.270 nan 0.000 0.452 104 S N 1.312 116.547 115.700 -0.775 0.000 2.449 104 S HA 0.162 4.631 4.470 -0.002 0.000 0.310 104 S C 0.493 174.772 174.600 -0.535 0.000 1.096 104 S CA -0.595 57.032 58.200 -0.954 0.000 1.095 104 S CB 1.281 63.374 63.200 -1.846 0.000 1.007 104 S HN 0.715 nan 8.310 nan 0.000 0.474 105 T N 0.474 114.809 114.554 -0.366 0.000 3.186 105 T HA 0.228 4.577 4.350 -0.002 0.000 0.257 105 T C -0.129 174.440 174.700 -0.217 0.000 1.029 105 T CA -0.114 61.838 62.100 -0.246 0.000 0.916 105 T CB -0.444 68.322 68.868 -0.170 0.000 1.041 105 T HN 0.624 nan 8.240 nan 0.000 0.562 106 D N -0.302 119.937 120.400 -0.268 0.000 2.819 106 D HA 0.364 5.003 4.640 -0.002 0.000 0.326 106 D C 1.209 177.397 176.300 -0.185 0.000 1.408 106 D CA -0.467 53.419 54.000 -0.191 0.000 0.811 106 D CB -0.274 40.439 40.800 -0.145 0.000 1.148 106 D HN 0.291 nan 8.370 nan 0.000 0.457 107 G N -0.010 108.658 108.800 -0.220 0.000 2.249 107 G HA2 0.011 3.970 3.960 -0.002 0.000 0.273 107 G HA3 0.011 3.970 3.960 -0.002 0.000 0.273 107 G C 1.164 175.981 174.900 -0.139 0.000 1.036 107 G CA 0.352 45.353 45.100 -0.165 0.000 0.824 107 G HN 1.490 nan 8.290 nan 0.000 0.504 108 G N -1.625 106.987 108.800 -0.314 0.000 2.176 108 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.232 108 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.232 108 G C 1.184 176.124 174.900 0.067 0.000 0.986 108 G CA 1.112 46.067 45.100 -0.241 0.000 0.643 108 G HN 0.876 nan 8.290 nan 0.000 0.522 109 R N 0.295 120.768 120.500 -0.045 0.000 2.062 109 R HA 0.123 4.462 4.340 -0.002 0.000 0.231 109 R C 1.574 177.928 176.300 0.091 0.000 1.136 109 R CA 1.787 57.919 56.100 0.054 0.000 0.948 109 R CB -0.276 30.024 30.300 0.000 0.000 0.845 109 R HN 0.669 nan 8.270 nan 0.000 0.430 110 T N -2.699 111.818 114.554 -0.063 0.000 2.916 110 T HA 0.489 4.838 4.350 -0.002 0.000 0.292 110 T C -1.318 173.261 174.700 -0.201 0.000 1.055 110 T CA -0.903 61.210 62.100 0.022 0.000 1.009 110 T CB 1.774 70.649 68.868 0.012 0.000 1.118 110 T HN 0.139 nan 8.240 nan 0.000 0.497 111 W N 0.122 121.396 121.300 -0.043 0.000 2.819 111 W HA 0.703 5.362 4.660 -0.001 0.000 0.337 111 W C 0.549 177.052 176.519 -0.027 0.000 1.077 111 W CA -0.580 56.735 57.345 -0.050 0.000 1.226 111 W CB 2.127 31.552 29.460 -0.058 0.000 1.419 111 W HN 1.180 nan 8.180 nan 0.000 0.502 112 G N 0.527 109.419 108.800 0.153 0.000 2.574 112 G HA2 0.334 4.293 3.960 -0.002 0.000 0.248 112 G HA3 0.334 4.293 3.960 -0.002 0.000 0.248 112 G C -0.328 174.645 174.900 0.122 0.000 1.422 112 G CA -0.639 44.517 45.100 0.095 0.000 1.051 112 G HN 0.311 nan 8.290 nan 0.000 0.560 113 E N 0.442 120.694 120.200 0.088 0.000 2.392 113 E HA 0.028 4.377 4.350 -0.002 0.000 0.264 113 E C 0.262 176.925 176.600 0.106 0.000 1.024 113 E CA 0.005 56.458 56.400 0.088 0.000 0.903 113 E CB 1.030 30.771 29.700 0.067 0.000 0.963 113 E HN 0.493 nan 8.360 nan 0.000 0.432 114 Q N 2.522 122.387 119.800 0.109 0.000 2.286 114 Q HA 0.007 4.346 4.340 -0.002 0.000 0.267 114 Q C -0.638 175.421 176.000 0.098 0.000 1.028 114 Q CA 0.391 56.263 55.803 0.115 0.000 0.901 114 Q CB 0.491 29.319 28.738 0.151 0.000 1.183 114 Q HN 0.342 nan 8.270 nan 0.000 0.392 115 Q N 1.996 121.836 119.800 0.068 0.000 2.416 115 Q HA 0.552 4.891 4.340 -0.002 0.000 0.279 115 Q C -1.344 174.671 176.000 0.026 0.000 1.101 115 Q CA -1.066 54.777 55.803 0.067 0.000 0.830 115 Q CB 2.519 31.309 28.738 0.086 0.000 1.402 115 Q HN 0.495 nan 8.270 nan 0.000 0.445 116 V N 2.029 121.964 119.914 0.034 0.000 2.370 116 V HA 0.104 4.223 4.120 -0.002 0.000 0.279 116 V C 0.730 176.790 176.094 -0.056 0.000 1.029 116 V CA -0.112 62.177 62.300 -0.017 0.000 0.870 116 V CB 1.203 33.040 31.823 0.023 0.000 0.984 116 V HN 0.728 nan 8.190 nan 0.000 0.451 117 V N 3.328 123.120 119.914 -0.203 0.000 2.331 117 V HA 0.032 4.151 4.120 -0.002 0.000 0.242 117 V C 0.908 176.855 176.094 -0.245 0.000 1.034 117 V CA 1.215 63.285 62.300 -0.383 0.000 1.027 117 V CB 0.221 31.596 31.823 -0.746 0.000 0.667 117 V HN 0.799 nan 8.190 nan 0.000 0.457 118 S N 0.252 115.740 115.700 -0.353 0.000 2.707 118 S HA 0.721 5.190 4.470 -0.002 0.000 0.303 118 S C -0.253 174.126 174.600 -0.368 0.000 1.132 118 S CA -0.401 57.489 58.200 -0.516 0.000 1.046 118 S CB 1.458 64.166 63.200 -0.819 0.000 1.004 118 S HN 0.481 nan 8.310 nan 0.000 0.483 119 A N 2.996 125.641 122.820 -0.293 0.000 2.302 119 A HA 0.668 4.987 4.320 -0.002 0.000 0.295 119 A C 0.911 178.606 177.584 0.185 0.000 1.235 119 A CA -0.362 51.656 52.037 -0.032 0.000 0.876 119 A CB -0.259 18.728 19.000 -0.023 0.000 1.133 119 A HN 0.858 nan 8.150 nan 0.000 0.533 120 G N 1.415 110.392 108.800 0.294 0.000 2.699 120 G HA2 0.427 4.386 3.960 -0.002 0.000 0.246 120 G HA3 0.427 4.386 3.960 -0.002 0.000 0.246 120 G C -0.202 174.821 174.900 0.204 0.000 1.219 120 G CA -0.245 45.046 45.100 0.318 0.000 0.866 120 G HN 0.790 nan 8.290 nan 0.000 0.572 121 Q N -1.058 118.830 119.800 0.147 0.000 2.290 121 Q HA 0.294 4.633 4.340 -0.002 0.000 0.269 121 Q C 0.526 176.562 176.000 0.061 0.000 1.016 121 Q CA -0.385 55.477 55.803 0.100 0.000 0.754 121 Q CB 1.900 30.702 28.738 0.106 0.000 1.247 121 Q HN 0.692 nan 8.270 nan 0.000 0.451 122 T N -2.797 111.785 114.554 0.047 0.000 3.037 122 T HA 0.033 4.382 4.350 -0.002 0.000 0.251 122 T C 0.941 175.651 174.700 0.016 0.000 1.079 122 T CA 0.395 62.512 62.100 0.028 0.000 1.067 122 T CB 0.125 69.007 68.868 0.023 0.000 0.948 122 T HN 0.585 nan 8.240 nan 0.000 0.496 123 T N 0.566 115.131 114.554 0.019 0.000 2.943 123 T HA 0.784 5.133 4.350 -0.002 0.000 0.284 123 T C 0.107 174.818 174.700 0.018 0.000 1.015 123 T CA -0.735 61.373 62.100 0.014 0.000 1.042 123 T CB 1.486 70.360 68.868 0.010 0.000 1.055 123 T HN 0.389 nan 8.240 nan 0.000 0.500 124 A N 2.815 125.643 122.820 0.013 0.000 2.440 124 A HA 0.574 4.893 4.320 -0.002 0.000 0.251 124 A C -1.548 176.049 177.584 0.022 0.000 1.089 124 A CA -1.206 50.840 52.037 0.015 0.000 0.779 124 A CB -0.875 18.131 19.000 0.009 0.000 1.022 124 A HN 0.827 nan 8.150 nan 0.000 0.492 125 P HA 0.262 nan 4.420 nan 0.000 0.282 125 P C -0.376 176.946 177.300 0.036 0.000 1.262 125 P CA -0.379 62.739 63.100 0.030 0.000 0.773 125 P CB 0.467 32.191 31.700 0.040 0.000 0.879 126 I N 3.045 123.626 120.570 0.018 0.000 2.752 126 I HA 0.044 4.213 4.170 -0.002 0.000 0.287 126 I C 1.059 177.184 176.117 0.013 0.000 1.188 126 I CA 0.470 61.776 61.300 0.010 0.000 1.427 126 I CB -0.491 37.499 38.000 -0.016 0.000 1.365 126 I HN 0.380 nan 8.210 nan 0.000 0.585 127 K N 3.930 124.341 120.400 0.018 0.000 2.507 127 K HA 0.620 4.939 4.320 -0.002 0.000 0.251 127 K C -0.263 176.233 176.600 -0.173 0.000 0.943 127 K CA -0.582 55.695 56.287 -0.017 0.000 0.794 127 K CB 2.517 35.113 32.500 0.161 0.000 1.188 127 K HN 0.834 nan 8.250 nan 0.000 0.428 128 G N 1.929 110.502 108.800 -0.378 0.000 2.482 128 G HA2 0.770 4.730 3.960 -0.002 0.000 0.317 128 G HA3 0.770 4.730 3.960 -0.002 0.000 0.317 128 G C -1.371 173.105 174.900 -0.707 0.000 1.241 128 G CA -0.494 44.380 45.100 -0.377 0.000 0.967 128 G HN 0.342 nan 8.290 nan 0.000 0.482 129 F N 0.596 120.584 119.950 0.063 0.000 2.579 129 F HA 0.685 5.211 4.527 -0.002 0.000 0.325 129 F C 0.250 176.014 175.800 -0.059 0.000 1.162 129 F CA -0.796 57.233 58.000 0.047 0.000 0.946 129 F CB 2.635 41.596 39.000 -0.065 0.000 1.211 129 F HN 0.527 nan 8.300 nan 0.000 0.447 130 S N 1.538 117.308 115.700 0.116 0.000 2.556 130 S HA 0.594 5.063 4.470 -0.002 0.000 0.271 130 S C -1.691 172.940 174.600 0.051 0.000 1.135 130 S CA -0.622 57.588 58.200 0.017 0.000 0.858 130 S CB 1.161 64.339 63.200 -0.037 0.000 1.114 130 S HN 0.695 nan 8.310 nan 0.000 0.468 131 D N 1.305 121.708 120.400 0.005 0.000 3.026 131 D HA -0.071 4.568 4.640 -0.002 0.000 0.248 131 D C -2.757 173.582 176.300 0.065 0.000 1.100 131 D CA 0.603 54.624 54.000 0.035 0.000 0.855 131 D CB -0.625 40.189 40.800 0.024 0.000 1.011 131 D HN 0.352 nan 8.370 nan 0.000 0.423 132 P HA 0.351 nan 4.420 nan 0.000 0.276 132 P C -0.631 176.649 177.300 -0.033 0.000 1.244 132 P CA -0.402 62.681 63.100 -0.029 0.000 0.801 132 P CB 1.774 33.350 31.700 -0.207 0.000 1.006 133 S N 1.206 116.894 115.700 -0.021 0.000 2.614 133 S HA 0.482 4.951 4.470 -0.002 0.000 0.275 133 S C -1.401 173.271 174.600 0.120 0.000 1.161 133 S CA -0.571 57.657 58.200 0.046 0.000 0.969 133 S CB 0.176 63.410 63.200 0.057 0.000 1.059 133 S HN 0.234 nan 8.310 nan 0.000 0.482 134 Y N 3.148 123.575 120.300 0.212 0.000 2.307 134 Y HA 0.650 5.199 4.550 -0.002 0.000 0.324 134 Y C 0.222 176.313 175.900 0.318 0.000 1.238 134 Y CA -0.634 57.619 58.100 0.255 0.000 1.280 134 Y CB 1.207 39.792 38.460 0.209 0.000 1.248 134 Y HN 0.587 nan 8.280 nan 0.000 0.508 135 L N 2.770 124.358 121.223 0.608 0.000 2.580 135 L HA 0.461 4.800 4.340 -0.002 0.000 0.266 135 L C -1.828 175.373 176.870 0.551 0.000 0.955 135 L CA -0.650 54.526 54.840 0.560 0.000 0.886 135 L CB 1.328 43.803 42.059 0.693 0.000 1.263 135 L HN 0.366 nan 8.230 nan 0.000 0.406 136 V N 3.273 123.410 119.914 0.372 0.000 2.370 136 V HA 0.244 4.363 4.120 -0.002 0.000 0.279 136 V C -0.118 176.158 176.094 0.304 0.000 1.029 136 V CA -0.514 61.950 62.300 0.272 0.000 0.870 136 V CB 1.543 33.444 31.823 0.130 0.000 0.984 136 V HN 0.600 nan 8.190 nan 0.000 0.451 137 D N 5.017 125.625 120.400 0.346 0.000 2.352 137 D HA 0.125 4.764 4.640 -0.002 0.000 0.245 137 D C 1.145 177.545 176.300 0.167 0.000 1.224 137 D CA -0.244 53.942 54.000 0.309 0.000 0.879 137 D CB 0.748 41.805 40.800 0.428 0.000 1.057 137 D HN 0.380 nan 8.370 nan 0.000 0.491 138 R N 2.804 123.388 120.500 0.141 0.000 2.276 138 R HA -0.007 4.332 4.340 -0.002 0.000 0.203 138 R C 1.281 177.619 176.300 0.064 0.000 1.017 138 R CA 0.368 56.518 56.100 0.083 0.000 1.010 138 R CB 0.369 30.717 30.300 0.080 0.000 0.900 138 R HN 0.601 nan 8.270 nan 0.000 0.469 139 E N 0.173 120.424 120.200 0.086 0.000 2.051 139 E HA -0.080 4.269 4.350 -0.002 0.000 0.189 139 E C 1.668 178.250 176.600 -0.030 0.000 0.979 139 E CA 1.727 58.152 56.400 0.042 0.000 0.803 139 E CB 0.053 29.809 29.700 0.092 0.000 0.761 139 E HN 0.333 nan 8.360 nan 0.000 0.451 140 T N -2.993 111.537 114.554 -0.040 0.000 3.051 140 T HA 0.244 4.593 4.350 -0.002 0.000 0.255 140 T C 1.643 176.311 174.700 -0.053 0.000 1.085 140 T CA 0.527 62.575 62.100 -0.088 0.000 1.109 140 T CB 0.641 69.450 68.868 -0.098 0.000 0.921 140 T HN 0.330 nan 8.240 nan 0.000 0.488 141 G N 1.111 109.896 108.800 -0.025 0.000 2.175 141 G HA2 -0.233 3.727 3.960 -0.002 0.000 0.244 141 G HA3 -0.233 3.727 3.960 -0.002 0.000 0.244 141 G C 0.205 175.049 174.900 -0.093 0.000 0.982 141 G CA 0.126 45.195 45.100 -0.052 0.000 0.641 141 G HN 0.711 nan 8.290 nan 0.000 0.527 142 T N 1.642 116.140 114.554 -0.093 0.000 2.851 142 T HA 0.579 4.928 4.350 -0.002 0.000 0.298 142 T C 0.622 175.107 174.700 -0.359 0.000 0.977 142 T CA 0.199 62.146 62.100 -0.255 0.000 1.126 142 T CB 1.433 70.132 68.868 -0.282 0.000 0.916 142 T HN 0.321 nan 8.240 nan 0.000 0.529 143 I N 3.404 123.700 120.570 -0.457 0.000 2.377 143 I HA 0.470 4.639 4.170 -0.002 0.000 0.293 143 I C -0.755 175.152 176.117 -0.350 0.000 0.987 143 I CA -0.780 60.364 61.300 -0.261 0.000 1.185 143 I CB 1.218 39.158 38.000 -0.101 0.000 1.341 143 I HN 0.496 nan 8.210 nan 0.000 0.455 144 F N 4.002 124.148 119.950 0.326 0.000 2.522 144 F HA 0.440 4.966 4.527 -0.002 0.000 0.324 144 F C 0.336 176.266 175.800 0.217 0.000 1.077 144 F CA -0.797 57.319 58.000 0.192 0.000 0.944 144 F CB 1.298 40.272 39.000 -0.044 0.000 1.175 144 F HN 0.364 nan 8.300 nan 0.000 0.468 145 N N 2.708 121.471 118.700 0.104 0.000 2.576 145 N HA 0.288 5.027 4.740 -0.002 0.000 0.269 145 N C -1.637 173.731 175.510 -0.236 0.000 1.058 145 N CA -0.282 52.708 53.050 -0.101 0.000 0.860 145 N CB 0.589 38.818 38.487 -0.429 0.000 1.249 145 N HN 0.362 nan 8.380 nan 0.000 0.525 146 F N 3.779 123.669 119.950 -0.100 0.000 2.389 146 F HA 0.394 4.920 4.527 -0.002 0.000 0.337 146 F C 1.265 176.948 175.800 -0.195 0.000 1.112 146 F CA 0.122 57.969 58.000 -0.255 0.000 1.192 146 F CB 0.794 39.657 39.000 -0.229 0.000 1.185 146 F HN 0.400 nan 8.300 nan 0.000 0.552 147 H N -0.794 118.369 119.070 0.155 0.000 2.967 147 H HA 0.478 5.033 4.556 -0.002 0.000 0.318 147 H C -1.250 174.202 175.328 0.207 0.000 1.375 147 H CA -1.371 54.750 56.048 0.121 0.000 1.132 147 H CB 0.464 30.269 29.762 0.072 0.000 1.848 147 H HN 0.540 nan 8.280 nan 0.000 0.524 148 V N -0.352 119.752 119.914 0.317 0.000 3.051 148 V HA 0.250 4.369 4.120 -0.002 0.000 0.306 148 V C -0.527 175.805 176.094 0.398 0.000 1.083 148 V CA -0.424 62.046 62.300 0.284 0.000 1.104 148 V CB 0.519 32.434 31.823 0.152 0.000 1.027 148 V HN 0.728 nan 8.190 nan 0.000 0.483 149 Y N 4.281 124.700 120.300 0.199 0.000 2.376 149 Y HA 0.686 5.235 4.550 -0.002 0.000 0.326 149 Y C 0.055 175.940 175.900 -0.025 0.000 0.970 149 Y CA -0.947 57.187 58.100 0.058 0.000 1.248 149 Y CB 0.886 39.499 38.460 0.255 0.000 1.117 149 Y HN 1.064 nan 8.280 nan 0.000 0.476 150 S N 4.500 119.976 115.700 -0.374 0.000 2.608 150 S HA 0.635 5.104 4.470 -0.002 0.000 0.291 150 S C -0.162 174.116 174.600 -0.537 0.000 1.146 150 S CA -0.555 57.384 58.200 -0.434 0.000 1.043 150 S CB 2.754 65.818 63.200 -0.226 0.000 1.037 150 S HN 0.839 nan 8.310 nan 0.000 0.520 151 Q N 0.681 120.238 119.800 -0.406 0.000 2.160 151 Q HA 0.353 4.692 4.340 -0.002 0.000 0.166 151 Q C 1.840 177.752 176.000 -0.146 0.000 0.592 151 Q CA -0.562 55.098 55.803 -0.239 0.000 0.711 151 Q CB 0.115 28.730 28.738 -0.204 0.000 1.157 151 Q HN 0.674 nan 8.270 nan 0.000 0.463 152 R N 0.067 120.496 120.500 -0.117 0.000 2.200 152 R HA 0.107 4.446 4.340 -0.002 0.000 0.208 152 R C 0.238 176.489 176.300 -0.082 0.000 1.033 152 R CA 0.602 56.654 56.100 -0.081 0.000 1.000 152 R CB 0.406 30.672 30.300 -0.058 0.000 0.906 152 R HN 0.252 nan 8.270 nan 0.000 0.462 153 Q N -0.369 119.369 119.800 -0.103 0.000 2.348 153 Q HA 0.433 4.772 4.340 -0.002 0.000 0.271 153 Q C -0.030 175.920 176.000 -0.083 0.000 1.067 153 Q CA -0.454 55.299 55.803 -0.084 0.000 0.839 153 Q CB 2.094 30.782 28.738 -0.082 0.000 1.354 153 Q HN 0.154 nan 8.270 nan 0.000 0.447 154 G N -0.171 108.598 108.800 -0.052 0.000 2.671 154 G HA2 0.288 4.247 3.960 -0.002 0.000 0.275 154 G HA3 0.288 4.247 3.960 -0.002 0.000 0.275 154 G C 0.101 175.020 174.900 0.033 0.000 1.368 154 G CA -0.429 44.658 45.100 -0.022 0.000 1.044 154 G HN 0.515 nan 8.290 nan 0.000 0.543 155 F N 1.128 121.012 119.950 -0.112 0.000 2.095 155 F HA -0.088 4.438 4.527 -0.002 0.000 0.298 155 F C 2.678 178.447 175.800 -0.051 0.000 1.104 155 F CA 2.279 60.227 58.000 -0.087 0.000 1.232 155 F CB -0.341 38.560 39.000 -0.165 0.000 0.987 155 F HN 0.307 nan 8.300 nan 0.000 0.475 156 A N -0.251 122.518 122.820 -0.085 0.000 1.969 156 A HA 0.046 4.365 4.320 -0.002 0.000 0.218 156 A C 2.375 179.895 177.584 -0.108 0.000 1.169 156 A CA 1.434 53.390 52.037 -0.134 0.000 0.635 156 A CB -1.613 17.393 19.000 0.011 0.000 0.810 156 A HN 0.509 nan 8.150 nan 0.000 0.445 157 G N -1.031 107.726 108.800 -0.072 0.000 2.683 157 G HA2 0.177 4.136 3.960 -0.002 0.000 0.213 157 G HA3 0.177 4.136 3.960 -0.002 0.000 0.213 157 G C 0.850 175.707 174.900 -0.071 0.000 1.142 157 G CA 0.706 45.771 45.100 -0.059 0.000 0.793 157 G HN 0.489 nan 8.290 nan 0.000 0.534 158 S N 0.466 116.113 115.700 -0.089 0.000 2.563 158 S HA 0.199 4.668 4.470 -0.002 0.000 0.294 158 S C 0.718 175.275 174.600 -0.073 0.000 1.279 158 S CA -0.149 57.999 58.200 -0.087 0.000 1.069 158 S CB 0.312 63.464 63.200 -0.079 0.000 0.828 158 S HN 0.415 nan 8.310 nan 0.000 0.497 159 R N 3.891 124.353 120.500 -0.064 0.000 2.596 159 R HA 0.495 4.834 4.340 -0.002 0.000 0.267 159 R C -2.438 173.844 176.300 -0.030 0.000 1.026 159 R CA -2.105 53.971 56.100 -0.040 0.000 1.087 159 R CB 0.322 30.603 30.300 -0.031 0.000 1.132 159 R HN 0.430 nan 8.270 nan 0.000 0.531 160 P HA 0.185 nan 4.420 nan 0.000 0.269 160 P C -0.427 176.876 177.300 0.006 0.000 1.215 160 P CA 0.119 63.225 63.100 0.010 0.000 0.780 160 P CB 0.743 32.454 31.700 0.019 0.000 0.898 161 G N 0.069 108.880 108.800 0.018 0.000 2.340 161 G HA2 0.248 4.207 3.960 -0.002 0.000 0.527 161 G HA3 0.248 4.207 3.960 -0.002 0.000 0.527 161 G C -0.131 174.800 174.900 0.051 0.000 1.381 161 G CA -0.025 45.093 45.100 0.031 0.000 1.001 161 G HN 0.663 nan 8.290 nan 0.000 0.626 162 T N -2.539 112.072 114.554 0.095 0.000 3.144 162 T HA 0.380 4.729 4.350 -0.002 0.000 0.290 162 T C 0.170 175.029 174.700 0.265 0.000 0.966 162 T CA 0.837 63.039 62.100 0.171 0.000 0.907 162 T CB 0.498 69.440 68.868 0.124 0.000 1.152 162 T HN 0.657 nan 8.240 nan 0.000 0.532 163 D N 3.352 123.877 120.400 0.209 0.000 2.434 163 D HA 0.206 4.846 4.640 -0.002 0.000 0.252 163 D C -1.365 175.082 176.300 0.245 0.000 1.185 163 D CA -1.653 52.457 54.000 0.183 0.000 0.886 163 D CB 1.382 42.255 40.800 0.122 0.000 1.148 163 D HN 0.033 nan 8.370 nan 0.000 0.483 164 P HA -0.092 nan 4.420 nan 0.000 0.223 164 P C 0.277 177.578 177.300 0.001 0.000 1.144 164 P CA 0.771 63.732 63.100 -0.231 0.000 0.783 164 P CB 0.232 31.856 31.700 -0.126 0.000 0.771 165 A N -1.463 121.434 122.820 0.129 0.000 2.348 165 A HA 0.046 4.366 4.320 -0.002 0.000 0.224 165 A C 0.880 178.571 177.584 0.178 0.000 1.227 165 A CA -0.069 52.067 52.037 0.165 0.000 0.885 165 A CB -0.632 18.433 19.000 0.108 0.000 0.933 165 A HN 0.002 nan 8.150 nan 0.000 0.506 166 D N 1.398 121.933 120.400 0.225 0.000 2.382 166 D HA 0.093 4.732 4.640 -0.002 0.000 0.259 166 D C -1.636 174.714 176.300 0.083 0.000 1.224 166 D CA -1.409 52.675 54.000 0.141 0.000 0.894 166 D CB 1.258 42.132 40.800 0.123 0.000 1.127 166 D HN 0.146 nan 8.370 nan 0.000 0.487 167 P HA 0.034 nan 4.420 nan 0.000 0.245 167 P C 0.229 177.486 177.300 -0.071 0.000 1.212 167 P CA 0.276 63.360 63.100 -0.026 0.000 0.774 167 P CB 0.508 32.205 31.700 -0.006 0.000 0.999 168 N N -0.580 118.081 118.700 -0.064 0.000 2.187 168 N HA 0.105 4.844 4.740 -0.002 0.000 0.212 168 N C -0.232 175.210 175.510 -0.113 0.000 1.152 168 N CA 0.039 53.042 53.050 -0.078 0.000 0.872 168 N CB 1.340 39.799 38.487 -0.047 0.000 1.025 168 N HN 0.011 nan 8.380 nan 0.000 0.514 169 V N 1.858 121.665 119.914 -0.178 0.000 2.481 169 V HA 0.275 4.394 4.120 -0.002 0.000 0.286 169 V C 0.086 175.966 176.094 -0.357 0.000 1.042 169 V CA -0.886 61.236 62.300 -0.296 0.000 0.928 169 V CB 2.149 33.682 31.823 -0.483 0.000 0.986 169 V HN 0.038 nan 8.190 nan 0.000 0.462 170 L N 5.838 126.923 121.223 -0.230 0.000 2.283 170 L HA 0.388 4.727 4.340 -0.002 0.000 0.287 170 L C 0.182 176.987 176.870 -0.109 0.000 1.073 170 L CA 0.449 55.205 54.840 -0.141 0.000 0.822 170 L CB -0.111 41.957 42.059 0.014 0.000 1.186 170 L HN 0.601 nan 8.230 nan 0.000 0.436 171 H N 3.606 122.712 119.070 0.061 0.000 2.505 171 H HA 0.511 5.066 4.556 -0.002 0.000 0.355 171 H C -0.414 175.057 175.328 0.240 0.000 1.179 171 H CA -0.110 56.042 56.048 0.172 0.000 1.343 171 H CB 1.633 31.559 29.762 0.274 0.000 1.501 171 H HN 0.705 nan 8.280 nan 0.000 0.569 172 A N 3.225 126.291 122.820 0.410 0.000 2.280 172 A HA 0.291 4.610 4.320 -0.002 0.000 0.320 172 A C 0.001 177.756 177.584 0.285 0.000 1.366 172 A CA -0.608 51.645 52.037 0.360 0.000 0.938 172 A CB -0.240 18.948 19.000 0.314 0.000 1.157 172 A HN 0.629 nan 8.150 nan 0.000 0.536 173 N N 0.037 118.873 118.700 0.228 0.000 2.443 173 N HA 0.659 5.398 4.740 -0.002 0.000 0.293 173 N C -1.245 174.149 175.510 -0.193 0.000 1.159 173 N CA -0.378 52.712 53.050 0.068 0.000 0.904 173 N CB 2.086 40.675 38.487 0.170 0.000 1.214 173 N HN 0.414 nan 8.380 nan 0.000 0.513 174 V N 0.209 119.964 119.914 -0.264 0.000 2.733 174 V HA 0.805 4.924 4.120 -0.002 0.000 0.306 174 V C -1.276 174.660 176.094 -0.263 0.000 1.084 174 V CA -0.659 61.350 62.300 -0.485 0.000 0.905 174 V CB 1.478 32.837 31.823 -0.772 0.000 1.010 174 V HN 0.790 nan 8.190 nan 0.000 0.424 175 A N 4.272 126.952 122.820 -0.234 0.000 2.290 175 A HA 0.829 5.148 4.320 -0.002 0.000 0.310 175 A C 0.045 177.745 177.584 0.194 0.000 1.202 175 A CA -0.307 51.657 52.037 -0.121 0.000 0.837 175 A CB 0.923 19.769 19.000 -0.258 0.000 1.139 175 A HN 0.872 nan 8.150 nan 0.000 0.509 176 T N 1.722 116.385 114.554 0.180 0.000 2.807 176 T HA 0.526 4.876 4.350 -0.002 0.000 0.279 176 T C -0.256 174.372 174.700 -0.119 0.000 0.993 176 T CA -0.242 61.902 62.100 0.073 0.000 0.970 176 T CB 1.285 70.197 68.868 0.074 0.000 0.950 176 T HN 0.610 nan 8.240 nan 0.000 0.441 177 S N 1.300 116.728 115.700 -0.454 0.000 2.552 177 S HA 0.451 4.920 4.470 -0.002 0.000 0.314 177 S C 1.082 175.379 174.600 -0.505 0.000 1.099 177 S CA -0.677 57.079 58.200 -0.739 0.000 1.070 177 S CB 0.741 63.048 63.200 -1.489 0.000 0.998 177 S HN 0.845 nan 8.310 nan 0.000 0.474 178 T N 0.044 114.378 114.554 -0.366 0.000 3.069 178 T HA 0.141 4.490 4.350 -0.002 0.000 0.252 178 T C 0.271 174.826 174.700 -0.242 0.000 1.053 178 T CA 0.076 62.020 62.100 -0.260 0.000 0.964 178 T CB -0.234 68.531 68.868 -0.171 0.000 1.005 178 T HN 0.607 nan 8.240 nan 0.000 0.532 179 D N 0.621 120.840 120.400 -0.302 0.000 2.772 179 D HA 0.337 4.976 4.640 -0.002 0.000 0.272 179 D C 1.274 177.420 176.300 -0.257 0.000 1.314 179 D CA -0.447 53.406 54.000 -0.245 0.000 0.835 179 D CB -0.391 40.287 40.800 -0.203 0.000 1.080 179 D HN 0.373 nan 8.370 nan 0.000 0.482 180 G N -0.297 108.339 108.800 -0.274 0.000 2.147 180 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.244 180 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.244 180 G C 1.123 175.861 174.900 -0.271 0.000 1.005 180 G CA 0.247 45.207 45.100 -0.234 0.000 0.713 180 G HN 1.438 nan 8.290 nan 0.000 0.515 181 G N -1.564 106.953 108.800 -0.470 0.000 2.143 181 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.249 181 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.249 181 G C 1.211 175.880 174.900 -0.385 0.000 0.981 181 G CA 0.945 45.695 45.100 -0.584 0.000 0.665 181 G HN 1.218 nan 8.290 nan 0.000 0.528 182 L N 0.384 121.393 121.223 -0.357 0.000 2.044 182 L HA 0.185 4.524 4.340 -0.002 0.000 0.205 182 L C 1.987 178.726 176.870 -0.218 0.000 1.075 182 L CA 1.956 56.677 54.840 -0.197 0.000 0.747 182 L CB -0.348 41.618 42.059 -0.156 0.000 0.903 182 L HN 0.605 nan 8.230 nan 0.000 0.435 183 T N -4.084 110.228 114.554 -0.403 0.000 2.916 183 T HA 0.479 4.828 4.350 -0.002 0.000 0.292 183 T C -1.412 172.924 174.700 -0.608 0.000 1.055 183 T CA -0.644 61.277 62.100 -0.299 0.000 1.009 183 T CB 1.661 70.445 68.868 -0.139 0.000 1.118 183 T HN 0.045 nan 8.240 nan 0.000 0.497 184 W N 1.189 122.442 121.300 -0.078 0.000 2.883 184 W HA 0.608 5.268 4.660 -0.001 0.000 0.335 184 W C 0.124 176.514 176.519 -0.216 0.000 1.083 184 W CA -0.719 56.510 57.345 -0.193 0.000 1.233 184 W CB 2.072 31.369 29.460 -0.272 0.000 1.412 184 W HN 0.991 nan 8.180 nan 0.000 0.490 185 S N 0.822 116.492 115.700 -0.050 0.000 2.690 185 S HA 0.727 5.196 4.470 -0.002 0.000 0.291 185 S C -1.105 173.344 174.600 -0.251 0.000 1.138 185 S CA -0.771 57.416 58.200 -0.023 0.000 1.013 185 S CB 1.363 64.577 63.200 0.022 0.000 1.053 185 S HN 0.513 nan 8.310 nan 0.000 0.539 186 H N 0.022 119.122 119.070 0.049 0.000 2.679 186 H HA 0.738 5.293 4.556 -0.002 0.000 0.360 186 H C -0.120 175.212 175.328 0.006 0.000 1.105 186 H CA -0.812 55.242 56.048 0.010 0.000 1.196 186 H CB 1.544 31.270 29.762 -0.060 0.000 1.636 186 H HN 0.788 nan 8.280 nan 0.000 0.531 187 R N 0.739 121.298 120.500 0.098 0.000 2.799 187 R HA 0.709 5.048 4.340 -0.002 0.000 0.270 187 R C -1.403 174.930 176.300 0.056 0.000 1.010 187 R CA -1.048 55.095 56.100 0.073 0.000 0.916 187 R CB 1.412 31.766 30.300 0.089 0.000 1.228 187 R HN 0.448 nan 8.270 nan 0.000 0.469 188 T N 2.080 116.665 114.554 0.051 0.000 2.770 188 T HA 0.350 4.699 4.350 -0.002 0.000 0.283 188 T C 0.791 175.539 174.700 0.080 0.000 0.988 188 T CA -0.754 61.381 62.100 0.059 0.000 0.957 188 T CB 0.779 69.632 68.868 -0.025 0.000 0.930 188 T HN 0.684 nan 8.240 nan 0.000 0.443 189 I N -0.398 120.236 120.570 0.106 0.000 4.009 189 I HA 0.230 4.399 4.170 -0.002 0.000 0.331 189 I C 1.572 177.756 176.117 0.111 0.000 1.462 189 I CA -0.452 60.913 61.300 0.109 0.000 1.117 189 I CB -0.270 37.786 38.000 0.094 0.000 1.091 189 I HN 0.380 nan 8.210 nan 0.000 0.410 190 T N 2.122 116.776 114.554 0.167 0.000 2.624 190 T HA -0.277 4.072 4.350 -0.002 0.000 0.268 190 T C 2.089 176.867 174.700 0.131 0.000 1.041 190 T CA 2.493 64.711 62.100 0.197 0.000 1.159 190 T CB -0.274 68.835 68.868 0.402 0.000 0.863 190 T HN 0.632 nan 8.240 nan 0.000 0.434 191 A N 1.609 124.503 122.820 0.122 0.000 2.070 191 A HA -0.124 4.195 4.320 -0.002 0.000 0.220 191 A C 1.995 179.609 177.584 0.050 0.000 1.159 191 A CA 1.482 53.566 52.037 0.079 0.000 0.656 191 A CB -0.424 18.619 19.000 0.073 0.000 0.800 191 A HN 0.453 nan 8.150 nan 0.000 0.453 192 D N -0.175 120.262 120.400 0.062 0.000 2.277 192 D HA -0.018 4.621 4.640 -0.002 0.000 0.208 192 D C 1.425 177.739 176.300 0.024 0.000 0.962 192 D CA 1.384 55.415 54.000 0.052 0.000 0.865 192 D CB -0.050 40.812 40.800 0.103 0.000 0.939 192 D HN 0.765 nan 8.370 nan 0.000 0.510 193 I N -2.290 118.290 120.570 0.017 0.000 3.936 193 I HA 0.220 4.389 4.170 -0.002 0.000 0.330 193 I C -0.322 175.832 176.117 0.063 0.000 1.509 193 I CA -0.172 61.122 61.300 -0.010 0.000 1.126 193 I CB 0.655 38.571 38.000 -0.140 0.000 1.115 193 I HN -0.377 nan 8.210 nan 0.000 0.424 194 T N 3.722 118.289 114.554 0.023 0.000 3.390 194 T HA 0.349 4.698 4.350 -0.002 0.000 0.351 194 T C -1.501 173.069 174.700 -0.217 0.000 1.759 194 T CA -0.736 61.357 62.100 -0.013 0.000 1.561 194 T CB 0.730 69.633 68.868 0.059 0.000 1.011 194 T HN 0.214 nan 8.240 nan 0.000 0.689 195 P HA 0.047 nan 4.420 nan 0.000 0.225 195 P C 0.065 177.060 177.300 -0.507 0.000 1.156 195 P CA 0.702 63.570 63.100 -0.388 0.000 0.787 195 P CB 0.407 31.896 31.700 -0.352 0.000 0.802 196 D N 0.333 120.188 120.400 -0.909 0.000 2.349 196 D HA 0.182 4.821 4.640 -0.002 0.000 0.232 196 D C -1.895 174.115 176.300 -0.484 0.000 1.071 196 D CA -2.452 51.086 54.000 -0.770 0.000 0.832 196 D CB 1.858 41.939 40.800 -1.199 0.000 1.086 196 D HN -0.115 nan 8.370 nan 0.000 0.504 197 P HA 0.057 nan 4.420 nan 0.000 0.228 197 P C 1.158 178.447 177.300 -0.019 0.000 1.151 197 P CA 0.441 63.486 63.100 -0.093 0.000 0.770 197 P CB 0.329 31.991 31.700 -0.062 0.000 0.786 198 G N -1.885 106.910 108.800 -0.009 0.000 2.712 198 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.212 198 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.212 198 G C -0.200 174.868 174.900 0.280 0.000 1.142 198 G CA -0.249 44.918 45.100 0.111 0.000 0.789 198 G HN 0.149 nan 8.290 nan 0.000 0.535 199 W N 2.120 123.423 121.300 0.005 0.000 2.666 199 W HA 0.393 5.052 4.660 -0.001 0.000 0.365 199 W C 1.375 177.890 176.519 -0.006 0.000 1.224 199 W CA -1.440 55.908 57.345 0.005 0.000 1.515 199 W CB -0.184 29.280 29.460 0.007 0.000 1.562 199 W HN 0.275 nan 8.180 nan 0.000 0.455 200 R N 0.686 121.288 120.500 0.169 0.000 2.334 200 R HA 0.332 4.671 4.340 -0.002 0.000 0.216 200 R C 0.348 176.661 176.300 0.021 0.000 0.905 200 R CA -0.025 56.117 56.100 0.069 0.000 1.064 200 R CB 0.571 30.887 30.300 0.025 0.000 1.046 200 R HN 0.123 nan 8.270 nan 0.000 0.508 201 S N 0.269 115.991 115.700 0.038 0.000 2.552 201 S HA 0.531 5.000 4.470 -0.002 0.000 0.272 201 S C -1.902 172.807 174.600 0.182 0.000 1.150 201 S CA -0.995 57.229 58.200 0.040 0.000 0.849 201 S CB 1.334 64.419 63.200 -0.191 0.000 1.113 201 S HN 0.471 nan 8.310 nan 0.000 0.458 202 R N 1.220 121.925 120.500 0.341 0.000 2.716 202 R HA 0.661 5.000 4.340 -0.002 0.000 0.271 202 R C -2.006 174.562 176.300 0.447 0.000 1.028 202 R CA -0.815 55.507 56.100 0.370 0.000 0.883 202 R CB 0.491 30.947 30.300 0.258 0.000 1.250 202 R HN 0.824 nan 8.270 nan 0.000 0.465 203 F N -1.274 118.715 119.950 0.064 0.000 2.615 203 F HA 0.750 5.277 4.527 -0.002 0.000 0.312 203 F C -0.842 174.716 175.800 -0.403 0.000 1.119 203 F CA -1.025 56.898 58.000 -0.129 0.000 0.979 203 F CB 1.532 40.363 39.000 -0.282 0.000 1.266 203 F HN 0.839 nan 8.300 nan 0.000 0.444 204 A N 2.576 124.943 122.820 -0.755 0.000 2.546 204 A HA 0.512 4.831 4.320 -0.002 0.000 0.243 204 A C 0.617 177.904 177.584 -0.494 0.000 1.063 204 A CA 0.077 51.415 52.037 -1.165 0.000 0.757 204 A CB -0.465 17.948 19.000 -0.978 0.000 0.991 204 A HN 1.754 nan 8.150 nan 0.000 0.503 205 A N 3.822 126.329 122.820 -0.522 0.000 2.515 205 A HA 0.450 4.769 4.320 -0.002 0.000 0.263 205 A C 1.052 178.564 177.584 -0.120 0.000 1.096 205 A CA 0.416 52.298 52.037 -0.258 0.000 0.769 205 A CB -0.703 18.140 19.000 -0.263 0.000 1.040 205 A HN 1.912 nan 8.150 nan 0.000 0.505 206 S N 2.744 118.448 115.700 0.005 0.000 2.549 206 S HA 0.595 5.064 4.470 -0.002 0.000 0.286 206 S C 0.837 175.454 174.600 0.030 0.000 1.314 206 S CA 0.245 58.471 58.200 0.043 0.000 1.062 206 S CB 0.914 64.193 63.200 0.131 0.000 0.865 206 S HN 2.396 nan 8.310 nan 0.000 0.498 207 G N 1.754 110.587 108.800 0.055 0.000 2.174 207 G HA2 0.147 4.106 3.960 -0.002 0.000 0.070 207 G HA3 0.147 4.106 3.960 -0.002 0.000 0.070 207 G C -1.211 173.770 174.900 0.135 0.000 1.120 207 G CA -0.214 44.937 45.100 0.084 0.000 1.194 207 G HN 0.955 nan 8.290 nan 0.000 0.435 208 E N -0.151 120.130 120.200 0.135 0.000 2.291 208 E HA 0.541 4.890 4.350 -0.002 0.000 0.276 208 E C 0.269 176.963 176.600 0.156 0.000 0.896 208 E CA -0.150 56.368 56.400 0.196 0.000 0.774 208 E CB 1.429 31.263 29.700 0.222 0.000 1.227 208 E HN 0.894 nan 8.360 nan 0.000 0.413 209 G N 3.021 111.935 108.800 0.189 0.000 2.525 209 G HA2 0.628 4.587 3.960 -0.002 0.000 0.287 209 G HA3 0.628 4.587 3.960 -0.002 0.000 0.287 209 G C -0.050 174.966 174.900 0.192 0.000 1.350 209 G CA -0.482 44.714 45.100 0.160 0.000 1.039 209 G HN 0.585 nan 8.290 nan 0.000 0.513 210 I N -3.748 116.933 120.570 0.184 0.000 3.042 210 I HA 0.666 4.835 4.170 -0.002 0.000 0.310 210 I C -0.937 175.287 176.117 0.178 0.000 1.117 210 I CA -1.151 60.249 61.300 0.166 0.000 1.003 210 I CB 2.473 40.546 38.000 0.121 0.000 1.228 210 I HN 0.447 nan 8.210 nan 0.000 0.443 211 Q N 2.796 122.682 119.800 0.143 0.000 2.337 211 Q HA 0.562 4.902 4.340 -0.002 0.000 0.266 211 Q C -1.496 174.533 176.000 0.049 0.000 1.023 211 Q CA -0.898 54.977 55.803 0.119 0.000 0.829 211 Q CB 2.235 31.058 28.738 0.142 0.000 1.306 211 Q HN 0.706 nan 8.270 nan 0.000 0.449 212 L N 3.928 125.170 121.223 0.032 0.000 2.453 212 L HA 0.177 4.517 4.340 -0.002 0.000 0.272 212 L C 1.133 177.971 176.870 -0.054 0.000 1.182 212 L CA -0.159 54.666 54.840 -0.027 0.000 0.858 212 L CB 0.357 42.423 42.059 0.013 0.000 1.120 212 L HN 0.651 nan 8.230 nan 0.000 0.474 213 R N 1.739 122.120 120.500 -0.198 0.000 2.307 213 R HA 0.159 4.498 4.340 -0.002 0.000 0.200 213 R C -0.524 175.768 176.300 -0.013 0.000 0.893 213 R CA 0.265 56.272 56.100 -0.156 0.000 1.042 213 R CB 0.091 30.245 30.300 -0.242 0.000 1.059 213 R HN 0.374 nan 8.270 nan 0.000 0.530 214 Y N 0.518 120.846 120.300 0.047 0.000 2.457 214 Y HA 0.600 5.149 4.550 -0.002 0.000 0.333 214 Y C 1.268 177.172 175.900 0.006 0.000 1.119 214 Y CA -0.985 57.130 58.100 0.026 0.000 1.143 214 Y CB 0.851 39.326 38.460 0.026 0.000 1.230 214 Y HN 0.339 nan 8.280 nan 0.000 0.469 215 G N 2.114 111.007 108.800 0.154 0.000 2.725 215 G HA2 -0.183 3.777 3.960 -0.002 0.000 0.220 215 G HA3 -0.183 3.777 3.960 -0.002 0.000 0.220 215 G C -1.738 173.127 174.900 -0.058 0.000 1.357 215 G CA -0.529 44.586 45.100 0.026 0.000 0.866 215 G HN 0.505 nan 8.290 nan 0.000 0.548 216 P HA -0.115 nan 4.420 nan 0.000 0.216 216 P C 0.783 177.908 177.300 -0.290 0.000 1.150 216 P CA 1.893 64.811 63.100 -0.304 0.000 0.843 216 P CB -0.164 31.221 31.700 -0.526 0.000 0.787 217 H N -0.610 118.454 119.070 -0.010 0.000 2.537 217 H HA 0.465 5.020 4.556 -0.002 0.000 0.295 217 H C 0.768 176.087 175.328 -0.015 0.000 1.054 217 H CA -0.828 55.203 56.048 -0.029 0.000 1.156 217 H CB -0.631 29.091 29.762 -0.067 0.000 1.468 217 H HN 0.106 nan 8.280 nan 0.000 0.551 218 A N 0.567 123.430 122.820 0.073 0.000 2.587 218 A HA 0.309 4.628 4.320 -0.002 0.000 0.235 218 A C 1.668 179.289 177.584 0.062 0.000 1.044 218 A CA 1.175 53.252 52.037 0.066 0.000 0.754 218 A CB -0.302 18.741 19.000 0.072 0.000 0.968 218 A HN 0.673 nan 8.150 nan 0.000 0.509 219 G N 1.109 109.946 108.800 0.062 0.000 2.268 219 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.240 219 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.240 219 G C 0.587 175.490 174.900 0.005 0.000 1.010 219 G CA 0.532 45.670 45.100 0.063 0.000 0.618 219 G HN 1.134 nan 8.290 nan 0.000 0.516 220 R N 1.019 121.525 120.500 0.010 0.000 2.522 220 R HA 0.433 4.772 4.340 -0.002 0.000 0.284 220 R C 0.302 176.634 176.300 0.054 0.000 1.032 220 R CA -0.168 55.930 56.100 -0.003 0.000 1.049 220 R CB -0.019 30.274 30.300 -0.013 0.000 0.956 220 R HN 0.320 nan 8.270 nan 0.000 0.422 221 L N 6.662 127.926 121.223 0.069 0.000 2.276 221 L HA 0.410 4.749 4.340 -0.002 0.000 0.286 221 L C -0.155 176.891 176.870 0.293 0.000 1.061 221 L CA -0.513 54.444 54.840 0.196 0.000 0.807 221 L CB 1.139 43.335 42.059 0.229 0.000 1.177 221 L HN 0.564 nan 8.230 nan 0.000 0.429 222 I N 3.333 124.063 120.570 0.266 0.000 2.389 222 I HA 0.317 4.486 4.170 -0.002 0.000 0.288 222 I C -0.415 175.810 176.117 0.181 0.000 0.999 222 I CA -0.483 60.972 61.300 0.258 0.000 1.129 222 I CB 1.940 40.044 38.000 0.175 0.000 1.288 222 I HN 0.538 nan 8.210 nan 0.000 0.444 223 Q N 5.755 125.616 119.800 0.102 0.000 2.340 223 Q HA 0.378 4.717 4.340 -0.002 0.000 0.268 223 Q C -1.279 174.683 176.000 -0.063 0.000 1.031 223 Q CA -0.657 55.058 55.803 -0.147 0.000 0.804 223 Q CB 1.672 29.959 28.738 -0.752 0.000 1.286 223 Q HN 0.379 nan 8.270 nan 0.000 0.448 224 Q N 2.599 122.324 119.800 -0.126 0.000 2.259 224 Q HA 0.344 4.683 4.340 -0.002 0.000 0.249 224 Q C -0.981 174.873 176.000 -0.244 0.000 0.914 224 Q CA 0.063 55.805 55.803 -0.102 0.000 0.904 224 Q CB 0.953 29.609 28.738 -0.137 0.000 1.213 224 Q HN 0.654 nan 8.270 nan 0.000 0.428 225 Y N -0.634 119.487 120.300 -0.298 0.000 2.602 225 Y HA 0.413 4.962 4.550 -0.002 0.000 0.342 225 Y C 0.173 175.787 175.900 -0.477 0.000 1.029 225 Y CA -0.655 57.206 58.100 -0.398 0.000 1.080 225 Y CB 2.196 40.481 38.460 -0.292 0.000 1.284 225 Y HN 0.354 nan 8.280 nan 0.000 0.485 226 T N 3.560 117.783 114.554 -0.550 0.000 2.855 226 T HA 0.687 5.036 4.350 -0.002 0.000 0.281 226 T C -0.890 173.649 174.700 -0.268 0.000 1.007 226 T CA -0.479 61.322 62.100 -0.498 0.000 1.009 226 T CB 0.757 69.133 68.868 -0.819 0.000 0.983 226 T HN 0.461 nan 8.240 nan 0.000 0.455 227 I N -0.297 120.145 120.570 -0.215 0.000 2.846 227 I HA 0.752 4.921 4.170 -0.002 0.000 0.307 227 I C -1.125 174.921 176.117 -0.117 0.000 1.053 227 I CA -1.180 59.999 61.300 -0.201 0.000 1.050 227 I CB 1.402 39.004 38.000 -0.663 0.000 1.239 227 I HN 0.537 nan 8.210 nan 0.000 0.439 228 I N 3.662 124.160 120.570 -0.120 0.000 2.404 228 I HA 0.423 4.592 4.170 -0.002 0.000 0.293 228 I C -0.465 175.636 176.117 -0.026 0.000 0.992 228 I CA -0.552 60.704 61.300 -0.073 0.000 1.149 228 I CB 1.413 39.290 38.000 -0.205 0.000 1.315 228 I HN 0.853 nan 8.210 nan 0.000 0.446 229 N N 4.961 123.681 118.700 0.032 0.000 2.538 229 N HA 0.410 5.149 4.740 -0.002 0.000 0.292 229 N C 0.776 176.367 175.510 0.135 0.000 1.262 229 N CA -0.484 52.651 53.050 0.141 0.000 0.976 229 N CB 0.611 39.192 38.487 0.157 0.000 1.161 229 N HN 0.559 nan 8.380 nan 0.000 0.598 230 A N -0.952 121.964 122.820 0.160 0.000 2.019 230 A HA 0.076 4.395 4.320 -0.002 0.000 0.219 230 A C 1.814 179.443 177.584 0.074 0.000 1.164 230 A CA 1.763 53.863 52.037 0.105 0.000 0.644 230 A CB -1.327 17.731 19.000 0.098 0.000 0.805 230 A HN 0.853 nan 8.150 nan 0.000 0.449 231 A N -2.127 120.738 122.820 0.075 0.000 2.307 231 A HA 0.444 4.763 4.320 -0.002 0.000 0.218 231 A C 1.741 179.354 177.584 0.048 0.000 1.228 231 A CA 1.059 53.128 52.037 0.053 0.000 0.857 231 A CB -0.781 18.247 19.000 0.046 0.000 0.897 231 A HN 1.793 nan 8.150 nan 0.000 0.495 232 G N -1.529 107.307 108.800 0.060 0.000 2.199 232 G HA2 0.018 3.977 3.960 -0.002 0.000 0.254 232 G HA3 0.018 3.977 3.960 -0.002 0.000 0.254 232 G C 0.559 175.508 174.900 0.081 0.000 0.982 232 G CA 0.299 45.437 45.100 0.063 0.000 0.632 232 G HN 1.644 nan 8.290 nan 0.000 0.529 233 A N 0.412 123.277 122.820 0.075 0.000 2.462 233 A HA 0.603 4.922 4.320 -0.002 0.000 0.243 233 A C 0.041 177.780 177.584 0.258 0.000 1.076 233 A CA -0.031 52.054 52.037 0.079 0.000 0.773 233 A CB 0.089 19.117 19.000 0.046 0.000 1.010 233 A HN 0.584 nan 8.150 nan 0.000 0.493 234 F N 1.543 121.501 119.950 0.013 0.000 2.421 234 F HA 0.334 4.860 4.527 -0.001 0.000 0.358 234 F C 0.891 176.674 175.800 -0.027 0.000 1.115 234 F CA -0.294 57.728 58.000 0.037 0.000 1.160 234 F CB 0.595 39.669 39.000 0.123 0.000 1.123 234 F HN 0.554 nan 8.300 nan 0.000 0.508 235 Q N 1.623 121.461 119.800 0.063 0.000 2.377 235 Q HA 0.754 5.093 4.340 -0.002 0.000 0.271 235 Q C -0.710 175.202 176.000 -0.146 0.000 1.077 235 Q CA -1.211 54.555 55.803 -0.061 0.000 0.820 235 Q CB 2.988 31.639 28.738 -0.145 0.000 1.347 235 Q HN 0.673 nan 8.270 nan 0.000 0.444 236 A N 1.479 124.214 122.820 -0.143 0.000 2.327 236 A HA 0.617 4.936 4.320 -0.002 0.000 0.283 236 A C -0.761 176.710 177.584 -0.189 0.000 1.127 236 A CA -0.398 51.526 52.037 -0.189 0.000 0.810 236 A CB 1.030 19.913 19.000 -0.195 0.000 1.066 236 A HN 0.428 nan 8.150 nan 0.000 0.492 237 V N 1.875 121.689 119.914 -0.166 0.000 2.841 237 V HA 0.526 4.645 4.120 -0.002 0.000 0.310 237 V C -0.021 176.099 176.094 0.043 0.000 1.090 237 V CA -0.432 61.828 62.300 -0.066 0.000 0.930 237 V CB 2.542 34.280 31.823 -0.141 0.000 1.014 237 V HN 0.947 nan 8.190 nan 0.000 0.425 238 S N 3.776 119.586 115.700 0.182 0.000 2.489 238 S HA 0.566 5.035 4.470 -0.002 0.000 0.277 238 S C -0.468 174.321 174.600 0.315 0.000 1.230 238 S CA -0.284 58.084 58.200 0.280 0.000 1.053 238 S CB 1.197 64.647 63.200 0.416 0.000 0.955 238 S HN 0.560 nan 8.310 nan 0.000 0.488 239 V N 6.024 126.086 119.914 0.246 0.000 2.435 239 V HA 0.588 4.707 4.120 -0.002 0.000 0.290 239 V C -0.791 175.545 176.094 0.404 0.000 1.030 239 V CA -0.489 61.908 62.300 0.162 0.000 0.881 239 V CB 0.691 32.432 31.823 -0.136 0.000 0.983 239 V HN 0.861 nan 8.190 nan 0.000 0.445 240 Y N 2.041 122.531 120.300 0.316 0.000 2.615 240 Y HA 0.829 5.378 4.550 -0.002 0.000 0.341 240 Y C -0.477 175.417 175.900 -0.010 0.000 1.089 240 Y CA -1.147 57.114 58.100 0.268 0.000 1.049 240 Y CB 1.944 40.462 38.460 0.098 0.000 1.296 240 Y HN 0.407 nan 8.280 nan 0.000 0.470 241 S N 0.258 115.822 115.700 -0.227 0.000 2.521 241 S HA 0.406 4.875 4.470 -0.002 0.000 0.295 241 S C -0.946 173.483 174.600 -0.285 0.000 1.098 241 S CA -0.618 57.214 58.200 -0.614 0.000 0.999 241 S CB 1.043 63.340 63.200 -1.504 0.000 1.034 241 S HN 0.779 nan 8.310 nan 0.000 0.483 242 D N 2.133 122.392 120.400 -0.234 0.000 2.431 242 D HA 0.148 4.787 4.640 -0.002 0.000 0.213 242 D C -0.272 175.845 176.300 -0.304 0.000 1.130 242 D CA 0.225 54.107 54.000 -0.196 0.000 0.834 242 D CB 0.543 41.298 40.800 -0.075 0.000 0.985 242 D HN 0.726 nan 8.370 nan 0.000 0.504 243 D N -0.923 119.272 120.400 -0.342 0.000 2.819 243 D HA 0.013 4.652 4.640 -0.002 0.000 0.326 243 D C 0.021 176.227 176.300 -0.156 0.000 1.408 243 D CA -0.599 53.253 54.000 -0.246 0.000 0.811 243 D CB -0.564 40.164 40.800 -0.119 0.000 1.148 243 D HN -0.036 nan 8.370 nan 0.000 0.457 244 H N -0.095 118.916 119.070 -0.099 0.000 2.903 244 H HA -0.123 4.432 4.556 -0.002 0.000 0.285 244 H C 1.386 176.756 175.328 0.071 0.000 1.231 244 H CA 1.161 57.217 56.048 0.015 0.000 1.135 244 H CB -1.559 28.247 29.762 0.073 0.000 1.328 244 H HN 0.708 nan 8.280 nan 0.000 0.388 245 G N -0.435 108.233 108.800 -0.221 0.000 2.213 245 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.226 245 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.226 245 G C 1.094 175.942 174.900 -0.086 0.000 0.992 245 G CA 0.870 45.827 45.100 -0.239 0.000 0.632 245 G HN 0.578 nan 8.290 nan 0.000 0.511 246 R N 1.162 121.610 120.500 -0.086 0.000 2.070 246 R HA 0.085 4.424 4.340 -0.002 0.000 0.233 246 R C 1.416 177.679 176.300 -0.063 0.000 1.137 246 R CA 2.231 58.330 56.100 -0.000 0.000 0.945 246 R CB -0.253 30.054 30.300 0.011 0.000 0.845 246 R HN 0.691 nan 8.270 nan 0.000 0.430 247 T N -2.741 111.662 114.554 -0.251 0.000 2.893 247 T HA 0.480 4.829 4.350 -0.002 0.000 0.291 247 T C -1.202 173.200 174.700 -0.498 0.000 1.028 247 T CA -0.926 61.051 62.100 -0.206 0.000 0.995 247 T CB 1.430 70.239 68.868 -0.098 0.000 1.051 247 T HN 0.245 nan 8.240 nan 0.000 0.470 248 W N 1.460 122.731 121.300 -0.049 0.000 2.781 248 W HA 0.778 5.437 4.660 -0.001 0.000 0.345 248 W C 0.226 176.647 176.519 -0.163 0.000 1.085 248 W CA -0.878 56.411 57.345 -0.094 0.000 1.198 248 W CB 1.927 31.374 29.460 -0.022 0.000 1.423 248 W HN 1.091 nan 8.180 nan 0.000 0.532 249 R N 0.800 121.272 120.500 -0.047 0.000 2.710 249 R HA 0.911 5.250 4.340 -0.002 0.000 0.270 249 R C -1.408 174.742 176.300 -0.249 0.000 1.021 249 R CA -1.166 54.827 56.100 -0.179 0.000 0.889 249 R CB 1.152 31.281 30.300 -0.285 0.000 1.243 249 R HN 0.476 nan 8.270 nan 0.000 0.464 250 A N 1.109 123.865 122.820 -0.108 0.000 2.310 250 A HA 0.683 5.002 4.320 -0.002 0.000 0.299 250 A C 0.418 178.073 177.584 0.118 0.000 1.147 250 A CA -0.032 52.023 52.037 0.029 0.000 0.818 250 A CB 0.904 20.039 19.000 0.225 0.000 1.096 250 A HN 0.882 nan 8.150 nan 0.000 0.495 251 G N 0.268 109.256 108.800 0.312 0.000 2.546 251 G HA2 0.449 4.408 3.960 -0.002 0.000 0.239 251 G HA3 0.449 4.408 3.960 -0.002 0.000 0.239 251 G C -0.181 174.835 174.900 0.195 0.000 1.476 251 G CA -0.482 44.842 45.100 0.374 0.000 1.064 251 G HN 0.787 nan 8.290 nan 0.000 0.561 252 E N -0.293 119.900 120.200 -0.011 0.000 2.301 252 E HA 0.484 4.833 4.350 -0.002 0.000 0.275 252 E C 0.141 176.835 176.600 0.158 0.000 1.030 252 E CA -0.505 55.945 56.400 0.084 0.000 0.852 252 E CB 1.541 31.214 29.700 -0.046 0.000 1.060 252 E HN 0.531 nan 8.360 nan 0.000 0.401 253 A N 2.440 125.382 122.820 0.203 0.000 2.388 253 A HA 0.350 4.669 4.320 -0.002 0.000 0.257 253 A C -0.521 177.096 177.584 0.055 0.000 1.095 253 A CA -0.383 51.688 52.037 0.058 0.000 0.791 253 A CB 0.830 19.815 19.000 -0.025 0.000 1.029 253 A HN 0.373 nan 8.150 nan 0.000 0.489 254 V N 2.322 122.236 119.914 0.000 0.000 2.638 254 V HA 0.759 4.878 4.120 -0.002 0.000 0.306 254 V C 0.304 176.384 176.094 -0.023 0.000 1.052 254 V CA 1.050 63.359 62.300 0.014 0.000 0.885 254 V CB 1.110 32.963 31.823 0.049 0.000 0.999 254 V HN 2.636 nan 8.190 nan 0.000 0.424 255 G N 4.234 113.035 108.800 0.001 0.000 2.746 255 G HA2 0.216 4.175 3.960 -0.002 0.000 0.685 255 G HA3 0.216 4.175 3.960 -0.002 0.000 0.685 255 G C -0.822 174.082 174.900 0.006 0.000 1.350 255 G CA -0.070 45.029 45.100 -0.002 0.000 0.837 255 G HN 2.035 nan 8.290 nan 0.000 0.564 256 V N -2.561 117.360 119.914 0.012 0.000 3.040 256 V HA 0.966 5.085 4.120 -0.002 0.000 0.312 256 V C 1.411 177.519 176.094 0.023 0.000 1.115 256 V CA 0.154 62.466 62.300 0.020 0.000 0.998 256 V CB 1.139 32.969 31.823 0.011 0.000 1.042 256 V HN 3.070 nan 8.190 nan 0.000 0.433 257 G N 1.817 110.632 108.800 0.025 0.000 2.273 257 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.280 257 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.280 257 G C -0.087 174.860 174.900 0.079 0.000 1.047 257 G CA 0.754 45.869 45.100 0.025 0.000 0.869 257 G HN 0.707 nan 8.290 nan 0.000 0.502 258 M N -0.779 118.897 119.600 0.128 0.000 2.531 258 M HA 0.726 5.205 4.480 -0.002 0.000 0.262 258 M C 0.515 176.919 176.300 0.174 0.000 1.168 258 M CA -0.541 54.816 55.300 0.096 0.000 0.926 258 M CB 1.004 33.617 32.600 0.023 0.000 1.445 258 M HN 0.266 nan 8.290 nan 0.000 0.531 259 D N -1.339 119.095 120.400 0.056 0.000 3.213 259 D HA 0.348 4.987 4.640 -0.002 0.000 0.357 259 D C -1.474 174.754 176.300 -0.120 0.000 1.446 259 D CA -0.347 53.677 54.000 0.040 0.000 0.893 259 D CB 1.013 41.906 40.800 0.154 0.000 1.466 259 D HN 0.623 nan 8.370 nan 0.000 0.541 260 A N 1.212 123.967 122.820 -0.108 0.000 2.583 260 A HA 0.246 4.565 4.320 -0.002 0.000 0.249 260 A C 0.308 177.800 177.584 -0.154 0.000 1.035 260 A CA 0.625 52.555 52.037 -0.178 0.000 0.777 260 A CB -0.693 18.264 19.000 -0.072 0.000 0.942 260 A HN 0.415 nan 8.150 nan 0.000 0.516 261 N N 2.096 120.684 118.700 -0.186 0.000 2.380 261 N HA 0.637 5.376 4.740 -0.002 0.000 0.290 261 N C -1.392 174.052 175.510 -0.109 0.000 1.236 261 N CA -0.909 52.062 53.050 -0.132 0.000 0.780 261 N CB 1.567 39.964 38.487 -0.151 0.000 1.438 261 N HN 0.347 nan 8.380 nan 0.000 0.491 262 K N 0.382 120.751 120.400 -0.052 0.000 2.435 262 K HA 0.544 4.863 4.320 -0.002 0.000 0.251 262 K C -0.614 176.000 176.600 0.023 0.000 0.954 262 K CA -0.450 55.833 56.287 -0.007 0.000 0.820 262 K CB 1.951 34.474 32.500 0.038 0.000 1.292 262 K HN 0.854 nan 8.250 nan 0.000 0.436 263 T N -2.461 112.125 114.554 0.054 0.000 2.907 263 T HA 0.704 5.053 4.350 -0.002 0.000 0.292 263 T C -0.630 174.141 174.700 0.118 0.000 1.043 263 T CA -0.930 61.228 62.100 0.097 0.000 1.003 263 T CB 1.793 70.738 68.868 0.129 0.000 1.084 263 T HN 0.281 nan 8.240 nan 0.000 0.483 264 V N 0.510 120.503 119.914 0.132 0.000 2.971 264 V HA 0.568 4.687 4.120 -0.002 0.000 0.309 264 V C -1.139 175.025 176.094 0.116 0.000 1.130 264 V CA -0.894 61.482 62.300 0.126 0.000 0.964 264 V CB 1.989 33.901 31.823 0.148 0.000 1.029 264 V HN 1.129 nan 8.190 nan 0.000 0.427 265 E N 5.130 125.382 120.200 0.087 0.000 2.194 265 E HA 0.469 4.818 4.350 -0.002 0.000 0.284 265 E C -0.705 175.964 176.600 0.115 0.000 1.035 265 E CA -0.448 55.995 56.400 0.072 0.000 0.836 265 E CB 0.988 30.671 29.700 -0.029 0.000 1.070 265 E HN 0.667 nan 8.360 nan 0.000 0.401 266 L N 2.541 123.853 121.223 0.147 0.000 2.490 266 L HA 0.122 4.461 4.340 -0.002 0.000 0.245 266 L C 1.846 178.867 176.870 0.253 0.000 1.185 266 L CA -0.245 54.689 54.840 0.158 0.000 0.813 266 L CB 0.695 42.819 42.059 0.109 0.000 1.233 266 L HN 0.666 nan 8.230 nan 0.000 0.489 267 S N -1.178 114.634 115.700 0.187 0.000 2.507 267 S HA -0.135 4.334 4.470 -0.002 0.000 0.235 267 S C 0.757 175.369 174.600 0.021 0.000 0.988 267 S CA 1.008 59.305 58.200 0.163 0.000 0.944 267 S CB -0.537 62.706 63.200 0.072 0.000 0.762 267 S HN 0.826 nan 8.310 nan 0.000 0.526 268 D N -0.829 119.610 120.400 0.065 0.000 2.398 268 D HA 0.349 4.988 4.640 -0.002 0.000 0.210 268 D C 1.306 177.672 176.300 0.110 0.000 1.094 268 D CA 0.344 54.347 54.000 0.006 0.000 0.839 268 D CB -0.388 40.415 40.800 0.005 0.000 0.963 268 D HN 0.465 nan 8.370 nan 0.000 0.506 269 G N 0.593 109.569 108.800 0.293 0.000 2.176 269 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.253 269 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.253 269 G C 0.227 175.219 174.900 0.154 0.000 0.979 269 G CA -0.229 45.065 45.100 0.324 0.000 0.641 269 G HN 0.397 nan 8.290 nan 0.000 0.530 270 R N -0.198 120.370 120.500 0.114 0.000 2.590 270 R HA 0.399 4.738 4.340 -0.002 0.000 0.274 270 R C 0.161 176.516 176.300 0.092 0.000 1.061 270 R CA -0.112 56.033 56.100 0.075 0.000 1.081 270 R CB 1.132 31.469 30.300 0.061 0.000 0.984 270 R HN 0.092 nan 8.270 nan 0.000 0.448 271 V N 5.291 125.252 119.914 0.078 0.000 2.348 271 V HA 0.096 4.215 4.120 -0.002 0.000 0.270 271 V C -0.117 176.108 176.094 0.219 0.000 1.037 271 V CA -0.654 61.728 62.300 0.136 0.000 0.872 271 V CB 0.971 32.868 31.823 0.123 0.000 1.002 271 V HN 0.469 nan 8.190 nan 0.000 0.464 272 L N 6.596 127.929 121.223 0.182 0.000 2.361 272 L HA 0.412 4.751 4.340 -0.002 0.000 0.278 272 L C -0.349 176.618 176.870 0.163 0.000 1.113 272 L CA 0.504 55.449 54.840 0.174 0.000 0.849 272 L CB 0.674 42.814 42.059 0.136 0.000 1.155 272 L HN 0.638 nan 8.230 nan 0.000 0.452 273 L N 6.183 127.473 121.223 0.111 0.000 2.334 273 L HA 0.479 4.818 4.340 -0.002 0.000 0.277 273 L C -0.561 176.300 176.870 -0.014 0.000 1.075 273 L CA -0.220 54.590 54.840 -0.050 0.000 0.804 273 L CB 0.781 42.608 42.059 -0.388 0.000 1.174 273 L HN 0.783 nan 8.230 nan 0.000 0.438 274 N N 3.033 121.730 118.700 -0.005 0.000 2.533 274 N HA 0.223 4.962 4.740 -0.002 0.000 0.289 274 N C -1.948 173.572 175.510 0.017 0.000 1.103 274 N CA -0.182 52.886 53.050 0.030 0.000 0.877 274 N CB 1.912 40.459 38.487 0.099 0.000 1.419 274 N HN 0.570 nan 8.380 nan 0.000 0.517 275 S N 2.384 118.083 115.700 -0.002 0.000 2.513 275 S HA 0.439 4.908 4.470 -0.002 0.000 0.299 275 S C -0.222 174.383 174.600 0.009 0.000 1.087 275 S CA -0.779 57.409 58.200 -0.021 0.000 1.012 275 S CB 1.427 64.596 63.200 -0.051 0.000 1.044 275 S HN 0.633 nan 8.310 nan 0.000 0.485 276 R N 2.280 122.778 120.500 -0.004 0.000 2.570 276 R HA 0.062 4.401 4.340 -0.002 0.000 0.277 276 R C -0.863 175.459 176.300 0.038 0.000 1.039 276 R CA 0.079 56.188 56.100 0.014 0.000 1.065 276 R CB 0.235 30.534 30.300 -0.003 0.000 0.964 276 R HN 0.576 nan 8.270 nan 0.000 0.428 277 D N 2.345 122.776 120.400 0.051 0.000 2.359 277 D HA 0.044 4.683 4.640 -0.002 0.000 0.230 277 D C 0.444 176.789 176.300 0.075 0.000 1.118 277 D CA -0.240 53.797 54.000 0.062 0.000 0.844 277 D CB 1.309 42.147 40.800 0.063 0.000 1.059 277 D HN 0.572 nan 8.370 nan 0.000 0.493 278 S N 2.234 117.993 115.700 0.099 0.000 2.603 278 S HA 0.063 4.532 4.470 -0.002 0.000 0.220 278 S C 1.483 176.100 174.600 0.029 0.000 0.967 278 S CA 0.198 58.459 58.200 0.101 0.000 0.920 278 S CB 0.237 63.558 63.200 0.202 0.000 0.773 278 S HN 0.390 nan 8.310 nan 0.000 0.529 279 A N 1.560 124.400 122.820 0.034 0.000 2.308 279 A HA 0.392 4.711 4.320 -0.002 0.000 0.217 279 A C 0.844 178.465 177.584 0.062 0.000 1.216 279 A CA -0.526 51.533 52.037 0.037 0.000 0.864 279 A CB -0.433 18.593 19.000 0.045 0.000 0.902 279 A HN 0.462 nan 8.150 nan 0.000 0.499 280 R N -0.430 120.102 120.500 0.053 0.000 3.336 280 R HA -0.172 4.167 4.340 -0.002 0.000 0.260 280 R C 1.145 177.480 176.300 0.058 0.000 1.032 280 R CA 0.598 56.724 56.100 0.042 0.000 0.693 280 R CB -2.735 27.578 30.300 0.021 0.000 1.134 280 R HN 0.785 nan 8.270 nan 0.000 0.433 281 S N -0.857 114.895 115.700 0.086 0.000 2.423 281 S HA 0.003 4.472 4.470 -0.002 0.000 0.231 281 S C 1.610 176.261 174.600 0.085 0.000 1.014 281 S CA 0.964 59.245 58.200 0.135 0.000 0.965 281 S CB 0.417 63.731 63.200 0.190 0.000 0.785 281 S HN 1.122 nan 8.310 nan 0.000 0.495 282 G N -0.641 108.131 108.800 -0.046 0.000 2.159 282 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.227 282 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.227 282 G C -0.165 174.371 174.900 -0.608 0.000 0.986 282 G CA 0.207 45.120 45.100 -0.311 0.000 0.651 282 G HN 0.576 nan 8.290 nan 0.000 0.523 283 Y N -0.898 119.401 120.300 -0.002 0.000 2.655 283 Y HA 0.762 5.311 4.550 -0.002 0.000 0.336 283 Y C 0.474 176.370 175.900 -0.006 0.000 1.154 283 Y CA -1.435 56.657 58.100 -0.013 0.000 1.055 283 Y CB 0.777 39.224 38.460 -0.022 0.000 1.295 283 Y HN 0.009 nan 8.280 nan 0.000 0.465 284 R N 1.367 121.962 120.500 0.159 0.000 2.594 284 R HA 0.310 4.649 4.340 -0.002 0.000 0.272 284 R C -0.805 175.531 176.300 0.061 0.000 1.074 284 R CA -0.464 55.685 56.100 0.082 0.000 1.105 284 R CB 0.428 30.745 30.300 0.028 0.000 1.008 284 R HN 0.624 nan 8.270 nan 0.000 0.472 285 K N 1.026 121.448 120.400 0.038 0.000 2.138 285 K HA 0.421 4.740 4.320 -0.002 0.000 0.263 285 K C -0.350 176.250 176.600 0.001 0.000 0.965 285 K CA -0.730 55.568 56.287 0.018 0.000 0.868 285 K CB 1.756 34.265 32.500 0.014 0.000 1.083 285 K HN 0.428 nan 8.250 nan 0.000 0.443 286 V N -1.258 118.656 119.914 0.000 0.000 2.823 286 V HA 0.959 5.078 4.120 -0.002 0.000 0.312 286 V C -0.872 175.228 176.094 0.009 0.000 1.072 286 V CA -0.823 61.481 62.300 0.006 0.000 0.937 286 V CB 1.517 33.355 31.823 0.024 0.000 1.013 286 V HN 0.872 nan 8.190 nan 0.000 0.430 287 A N 2.615 125.445 122.820 0.017 0.000 2.594 287 A HA 0.963 5.282 4.320 -0.002 0.000 0.291 287 A C -1.172 176.509 177.584 0.163 0.000 1.105 287 A CA -0.347 51.729 52.037 0.065 0.000 0.694 287 A CB 2.105 21.119 19.000 0.025 0.000 1.291 287 A HN 2.192 nan 8.150 nan 0.000 0.410 288 V N 0.192 120.245 119.914 0.231 0.000 2.841 288 V HA 0.818 4.937 4.120 -0.002 0.000 0.310 288 V C -0.436 175.780 176.094 0.202 0.000 1.090 288 V CA -0.032 62.419 62.300 0.252 0.000 0.930 288 V CB 2.131 34.032 31.823 0.130 0.000 1.014 288 V HN 1.402 nan 8.190 nan 0.000 0.425 289 S N 2.477 118.202 115.700 0.041 0.000 2.501 289 S HA 0.549 5.018 4.470 -0.002 0.000 0.301 289 S C 0.786 175.323 174.600 -0.105 0.000 1.096 289 S CA 0.168 58.208 58.200 -0.266 0.000 1.063 289 S CB 1.629 64.329 63.200 -0.833 0.000 1.042 289 S HN 1.148 nan 8.310 nan 0.000 0.494 290 T N -0.148 114.359 114.554 -0.079 0.000 3.069 290 T HA 0.156 4.505 4.350 -0.002 0.000 0.252 290 T C 0.303 174.994 174.700 -0.015 0.000 1.053 290 T CA 0.174 62.259 62.100 -0.025 0.000 0.964 290 T CB -0.228 68.638 68.868 -0.004 0.000 1.005 290 T HN 0.645 nan 8.240 nan 0.000 0.532 291 D N 0.617 120.990 120.400 -0.046 0.000 2.593 291 D HA 0.321 4.960 4.640 -0.002 0.000 0.241 291 D C 1.298 177.606 176.300 0.013 0.000 1.257 291 D CA -0.287 53.727 54.000 0.022 0.000 0.828 291 D CB -0.403 40.427 40.800 0.051 0.000 1.049 291 D HN 0.405 nan 8.370 nan 0.000 0.490 292 G N -0.299 108.487 108.800 -0.024 0.000 2.149 292 G HA2 0.008 3.967 3.960 -0.002 0.000 0.235 292 G HA3 0.008 3.967 3.960 -0.002 0.000 0.235 292 G C 1.126 175.869 174.900 -0.262 0.000 1.018 292 G CA 0.244 45.305 45.100 -0.065 0.000 0.728 292 G HN 1.371 nan 8.290 nan 0.000 0.508 293 G N -1.383 107.213 108.800 -0.339 0.000 2.159 293 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.256 293 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.256 293 G C 0.768 175.448 174.900 -0.367 0.000 0.977 293 G CA 1.638 46.477 45.100 -0.434 0.000 0.652 293 G HN 2.056 nan 8.290 nan 0.000 0.531 294 H N 1.216 120.037 119.070 -0.414 0.000 2.395 294 H HA 0.360 4.915 4.556 -0.002 0.000 0.299 294 H C 1.453 176.757 175.328 -0.040 0.000 1.070 294 H CA 2.407 58.351 56.048 -0.174 0.000 1.356 294 H CB 0.140 29.813 29.762 -0.149 0.000 1.401 294 H HN 0.900 nan 8.280 nan 0.000 0.524 295 S N -1.611 113.862 115.700 -0.378 0.000 2.556 295 S HA 0.458 4.927 4.470 -0.002 0.000 0.271 295 S C -1.475 172.895 174.600 -0.384 0.000 1.135 295 S CA -1.033 56.995 58.200 -0.288 0.000 0.858 295 S CB 1.551 64.618 63.200 -0.221 0.000 1.114 295 S HN 0.214 nan 8.310 nan 0.000 0.468 296 Y N 0.119 120.403 120.300 -0.027 0.000 2.587 296 Y HA 0.748 5.297 4.550 -0.001 0.000 0.337 296 Y C 1.240 177.143 175.900 0.004 0.000 1.065 296 Y CA -0.347 57.752 58.100 -0.003 0.000 1.126 296 Y CB 1.489 39.948 38.460 -0.001 0.000 1.279 296 Y HN 1.063 nan 8.280 nan 0.000 0.489 297 G N 0.455 109.354 108.800 0.165 0.000 2.494 297 G HA2 0.442 4.401 3.960 -0.002 0.000 0.270 297 G HA3 0.442 4.401 3.960 -0.002 0.000 0.270 297 G C -2.688 172.269 174.900 0.094 0.000 1.423 297 G CA -1.448 43.711 45.100 0.098 0.000 1.055 297 G HN 0.349 nan 8.290 nan 0.000 0.536 298 P HA 0.246 nan 4.420 nan 0.000 0.268 298 P C -0.390 176.932 177.300 0.037 0.000 1.205 298 P CA -0.365 62.760 63.100 0.041 0.000 0.771 298 P CB 1.001 32.717 31.700 0.027 0.000 0.858 299 V N 3.143 123.070 119.914 0.022 0.000 2.461 299 V HA 0.359 4.478 4.120 -0.002 0.000 0.275 299 V C 0.703 176.799 176.094 0.005 0.000 1.047 299 V CA 0.001 62.307 62.300 0.009 0.000 0.955 299 V CB 0.595 32.416 31.823 -0.003 0.000 0.988 299 V HN 0.726 nan 8.190 nan 0.000 0.471 300 T N 2.831 117.387 114.554 0.003 0.000 2.908 300 T HA 0.654 5.003 4.350 -0.002 0.000 0.290 300 T C -0.421 174.272 174.700 -0.011 0.000 1.034 300 T CA -0.866 61.230 62.100 -0.007 0.000 1.010 300 T CB 1.710 70.573 68.868 -0.009 0.000 1.068 300 T HN 0.253 nan 8.240 nan 0.000 0.481 301 I N 2.388 122.944 120.570 -0.023 0.000 2.533 301 I HA 0.174 4.343 4.170 -0.002 0.000 0.284 301 I C 0.206 176.277 176.117 -0.077 0.000 1.109 301 I CA 0.088 61.368 61.300 -0.033 0.000 1.412 301 I CB 0.368 38.347 38.000 -0.036 0.000 1.396 301 I HN 0.782 nan 8.210 nan 0.000 0.543 302 D N 6.999 127.363 120.400 -0.061 0.000 2.443 302 D HA 0.186 4.825 4.640 -0.002 0.000 0.221 302 D C 1.026 177.225 176.300 -0.169 0.000 1.097 302 D CA -0.386 53.564 54.000 -0.083 0.000 0.865 302 D CB 0.665 41.442 40.800 -0.039 0.000 1.034 302 D HN 0.372 nan 8.370 nan 0.000 0.511 303 R N 2.049 122.351 120.500 -0.330 0.000 2.323 303 R HA -0.006 4.333 4.340 -0.002 0.000 0.198 303 R C 0.390 176.586 176.300 -0.174 0.000 0.988 303 R CA 0.303 56.036 56.100 -0.612 0.000 1.041 303 R CB 0.463 30.351 30.300 -0.686 0.000 0.926 303 R HN 0.388 nan 8.270 nan 0.000 0.476 304 D N 0.459 120.818 120.400 -0.068 0.000 2.312 304 D HA -0.038 4.601 4.640 -0.002 0.000 0.211 304 D C 0.361 176.630 176.300 -0.052 0.000 0.964 304 D CA 0.958 54.956 54.000 -0.004 0.000 0.877 304 D CB 0.320 41.178 40.800 0.096 0.000 0.924 304 D HN 0.185 nan 8.370 nan 0.000 0.515 305 L N 1.645 122.848 121.223 -0.034 0.000 2.445 305 L HA 0.320 4.659 4.340 -0.002 0.000 0.252 305 L C -2.562 174.382 176.870 0.123 0.000 1.105 305 L CA -1.822 52.951 54.840 -0.112 0.000 0.943 305 L CB 1.685 43.484 42.059 -0.434 0.000 1.277 305 L HN -0.374 nan 8.230 nan 0.000 0.465 306 P HA 0.142 nan 4.420 nan 0.000 0.268 306 P C -1.019 176.230 177.300 -0.085 0.000 1.205 306 P CA 0.123 63.152 63.100 -0.119 0.000 0.771 306 P CB 0.918 32.538 31.700 -0.132 0.000 0.858 307 D N 2.038 122.346 120.400 -0.154 0.000 2.859 307 D HA 0.316 4.955 4.640 -0.002 0.000 0.223 307 D C -2.374 173.863 176.300 -0.105 0.000 1.218 307 D CA -1.919 52.041 54.000 -0.067 0.000 0.850 307 D CB 1.587 42.390 40.800 0.005 0.000 1.656 307 D HN 0.099 nan 8.370 nan 0.000 0.484 308 P HA 0.202 nan 4.420 nan 0.000 0.254 308 P C -0.986 176.298 177.300 -0.026 0.000 1.494 308 P CA 0.002 63.065 63.100 -0.062 0.000 0.961 308 P CB 0.075 31.744 31.700 -0.051 0.000 1.493 309 T N -1.195 113.352 114.554 -0.011 0.000 3.530 309 T HA -0.142 4.207 4.350 -0.002 0.000 0.410 309 T C -0.406 174.319 174.700 0.042 0.000 0.765 309 T CA 0.354 62.467 62.100 0.021 0.000 2.161 309 T CB -2.265 66.621 68.868 0.030 0.000 1.725 309 T HN 0.457 nan 8.240 nan 0.000 0.748 310 N N 0.611 119.323 118.700 0.020 0.000 2.710 310 N HA 0.476 5.216 4.740 -0.002 0.000 0.257 310 N C -0.886 174.545 175.510 -0.131 0.000 1.327 310 N CA -0.718 52.344 53.050 0.020 0.000 0.861 310 N CB 1.240 39.755 38.487 0.047 0.000 1.532 310 N HN 0.187 nan 8.380 nan 0.000 0.499 311 N N 0.343 118.783 118.700 -0.433 0.000 2.326 311 N HA 0.679 5.418 4.740 -0.002 0.000 0.239 311 N C -1.065 174.255 175.510 -0.317 0.000 1.301 311 N CA 0.409 53.117 53.050 -0.571 0.000 0.909 311 N CB 0.698 38.417 38.487 -1.279 0.000 1.156 311 N HN 0.692 nan 8.380 nan 0.000 0.462 312 A N -0.600 122.064 122.820 -0.259 0.000 2.566 312 A HA 0.572 4.891 4.320 -0.002 0.000 0.290 312 A C -1.172 176.291 177.584 -0.202 0.000 1.071 312 A CA -0.519 51.357 52.037 -0.268 0.000 0.658 312 A CB 0.409 19.246 19.000 -0.272 0.000 1.285 312 A HN 0.742 nan 8.150 nan 0.000 0.427 313 S N -0.222 115.323 115.700 -0.259 0.000 2.599 313 S HA 0.856 5.325 4.470 -0.002 0.000 0.287 313 S C -0.891 173.712 174.600 0.006 0.000 1.105 313 S CA -0.504 57.647 58.200 -0.081 0.000 0.899 313 S CB 1.618 64.804 63.200 -0.024 0.000 1.100 313 S HN 1.859 nan 8.310 nan 0.000 0.482 314 I N 2.305 122.973 120.570 0.164 0.000 2.571 314 I HA 0.646 4.815 4.170 -0.002 0.000 0.289 314 I C -1.595 174.650 176.117 0.213 0.000 1.115 314 I CA -1.170 60.311 61.300 0.302 0.000 1.045 314 I CB 1.367 39.623 38.000 0.428 0.000 1.238 314 I HN 0.975 nan 8.210 nan 0.000 0.424 315 I N 3.974 124.666 120.570 0.203 0.000 3.074 315 I HA 0.604 4.773 4.170 -0.002 0.000 0.310 315 I C -0.900 175.298 176.117 0.135 0.000 1.153 315 I CA -1.079 60.313 61.300 0.153 0.000 0.993 315 I CB 1.872 39.952 38.000 0.133 0.000 1.237 315 I HN 0.398 nan 8.210 nan 0.000 0.443 316 R N 2.445 123.014 120.500 0.116 0.000 2.347 316 R HA 0.359 4.698 4.340 -0.002 0.000 0.304 316 R C 0.750 177.082 176.300 0.054 0.000 1.072 316 R CA 0.289 56.448 56.100 0.098 0.000 0.980 316 R CB 1.493 31.863 30.300 0.116 0.000 0.986 316 R HN 0.968 nan 8.270 nan 0.000 0.448 317 A N 3.665 126.443 122.820 -0.068 0.000 1.968 317 A HA -0.031 4.288 4.320 -0.002 0.000 0.217 317 A C 0.288 177.616 177.584 -0.426 0.000 1.169 317 A CA 1.010 52.867 52.037 -0.299 0.000 0.638 317 A CB 0.072 18.694 19.000 -0.630 0.000 0.812 317 A HN 0.549 nan 8.150 nan 0.000 0.446 318 F N -1.155 118.909 119.950 0.190 0.000 2.550 318 F HA 0.372 4.898 4.527 -0.002 0.000 0.348 318 F C -2.184 173.690 175.800 0.124 0.000 1.219 318 F CA -2.289 55.801 58.000 0.150 0.000 1.203 318 F CB 1.301 40.378 39.000 0.127 0.000 1.436 318 F HN -0.005 nan 8.300 nan 0.000 0.541 319 P HA -0.036 nan 4.420 nan 0.000 0.226 319 P C 0.558 177.937 177.300 0.131 0.000 1.153 319 P CA 1.130 64.317 63.100 0.145 0.000 0.777 319 P CB 0.402 32.167 31.700 0.109 0.000 0.794 320 D N -1.137 119.361 120.400 0.162 0.000 2.369 320 D HA 0.175 4.814 4.640 -0.002 0.000 0.211 320 D C 0.796 177.194 176.300 0.163 0.000 1.077 320 D CA -0.040 54.043 54.000 0.139 0.000 0.842 320 D CB -0.313 40.553 40.800 0.110 0.000 0.947 320 D HN 0.032 nan 8.370 nan 0.000 0.509 321 A N 2.299 125.240 122.820 0.202 0.000 2.520 321 A HA 0.330 4.649 4.320 -0.002 0.000 0.235 321 A C -1.993 175.718 177.584 0.212 0.000 1.065 321 A CA -0.674 51.467 52.037 0.174 0.000 0.764 321 A CB -0.139 18.971 19.000 0.183 0.000 1.002 321 A HN -0.031 nan 8.150 nan 0.000 0.502 322 P HA 0.329 nan 4.420 nan 0.000 0.274 322 P C -0.111 177.177 177.300 -0.021 0.000 1.237 322 P CA -0.029 63.130 63.100 0.099 0.000 0.793 322 P CB 0.531 32.248 31.700 0.030 0.000 0.977 323 A N 1.236 123.871 122.820 -0.309 0.000 2.567 323 A HA 0.357 4.676 4.320 -0.002 0.000 0.240 323 A C 1.522 178.923 177.584 -0.306 0.000 1.053 323 A CA 0.843 52.437 52.037 -0.739 0.000 0.755 323 A CB -1.651 16.852 19.000 -0.828 0.000 0.978 323 A HN 0.949 nan 8.150 nan 0.000 0.507 324 G N 1.564 110.228 108.800 -0.228 0.000 2.162 324 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.260 324 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.260 324 G C 0.555 175.421 174.900 -0.057 0.000 0.976 324 G CA 1.080 46.113 45.100 -0.112 0.000 0.655 324 G HN 2.213 nan 8.290 nan 0.000 0.533 325 S N -0.682 114.997 115.700 -0.035 0.000 2.652 325 S HA 0.802 5.271 4.470 -0.002 0.000 0.270 325 S C 1.723 176.327 174.600 0.007 0.000 1.243 325 S CA 0.365 58.557 58.200 -0.014 0.000 0.999 325 S CB 1.864 65.059 63.200 -0.008 0.000 0.973 325 S HN 1.616 nan 8.310 nan 0.000 0.544 326 A N 1.670 124.487 122.820 -0.005 0.000 1.883 326 A HA -0.094 4.225 4.320 -0.002 0.000 0.217 326 A C 2.334 179.938 177.584 0.034 0.000 1.186 326 A CA 1.445 53.485 52.037 0.006 0.000 0.624 326 A CB -0.845 18.148 19.000 -0.012 0.000 0.822 326 A HN 0.918 nan 8.150 nan 0.000 0.444 327 R N -0.559 119.937 120.500 -0.006 0.000 2.127 327 R HA -0.087 4.252 4.340 -0.002 0.000 0.238 327 R C 2.318 178.770 176.300 0.253 0.000 1.134 327 R CA 1.122 57.236 56.100 0.022 0.000 0.975 327 R CB -0.457 29.694 30.300 -0.248 0.000 0.865 327 R HN 0.518 nan 8.270 nan 0.000 0.447 328 A N 1.212 124.136 122.820 0.174 0.000 2.070 328 A HA -0.152 4.167 4.320 -0.002 0.000 0.220 328 A C 1.607 179.299 177.584 0.180 0.000 1.159 328 A CA 1.219 53.383 52.037 0.212 0.000 0.656 328 A CB -0.118 18.992 19.000 0.184 0.000 0.800 328 A HN 0.224 nan 8.150 nan 0.000 0.453 329 K N -0.409 120.071 120.400 0.132 0.000 2.400 329 K HA 0.158 4.477 4.320 -0.002 0.000 0.194 329 K C -0.231 176.407 176.600 0.062 0.000 1.033 329 K CA -0.010 56.323 56.287 0.076 0.000 1.021 329 K CB 0.320 32.840 32.500 0.034 0.000 0.808 329 K HN 0.279 nan 8.250 nan 0.000 0.505 330 V N 3.228 123.228 119.914 0.143 0.000 2.470 330 V HA 0.121 4.240 4.120 -0.002 0.000 0.276 330 V C 0.025 176.156 176.094 0.063 0.000 1.040 330 V CA 0.054 62.428 62.300 0.123 0.000 1.008 330 V CB 0.241 32.231 31.823 0.279 0.000 0.990 330 V HN 0.142 nan 8.190 nan 0.000 0.477 331 L N 5.937 127.166 121.223 0.010 0.000 2.354 331 L HA 0.648 4.987 4.340 -0.002 0.000 0.269 331 L C -0.585 176.403 176.870 0.197 0.000 1.005 331 L CA -0.608 54.284 54.840 0.085 0.000 0.819 331 L CB 2.151 44.257 42.059 0.078 0.000 1.311 331 L HN 0.410 nan 8.230 nan 0.000 0.423 332 L N 2.280 123.641 121.223 0.230 0.000 2.346 332 L HA 0.531 4.870 4.340 -0.002 0.000 0.276 332 L C -1.222 175.882 176.870 0.390 0.000 1.006 332 L CA -0.457 54.541 54.840 0.264 0.000 0.817 332 L CB 2.259 44.331 42.059 0.022 0.000 1.272 332 L HN 0.386 nan 8.230 nan 0.000 0.421 333 F N 2.363 122.416 119.950 0.172 0.000 2.540 333 F HA 0.562 5.088 4.527 -0.002 0.000 0.317 333 F C -0.216 175.576 175.800 -0.014 0.000 1.104 333 F CA -0.581 57.414 58.000 -0.010 0.000 0.913 333 F CB 2.040 40.802 39.000 -0.397 0.000 1.170 333 F HN 0.379 nan 8.300 nan 0.000 0.450 334 S N 6.439 121.771 115.700 -0.614 0.000 2.605 334 S HA 0.752 5.221 4.470 -0.002 0.000 0.308 334 S C -1.254 172.919 174.600 -0.712 0.000 1.113 334 S CA -0.590 57.344 58.200 -0.444 0.000 1.049 334 S CB 1.541 64.615 63.200 -0.210 0.000 1.001 334 S HN 0.916 nan 8.310 nan 0.000 0.480 335 N N 1.380 119.803 118.700 -0.462 0.000 3.243 335 N HA 0.514 5.253 4.740 -0.002 0.000 0.280 335 N C -1.413 174.025 175.510 -0.119 0.000 1.545 335 N CA -0.781 52.085 53.050 -0.307 0.000 0.854 335 N CB 1.150 39.410 38.487 -0.379 0.000 1.612 335 N HN 0.816 nan 8.380 nan 0.000 0.577 336 A N -0.238 122.524 122.820 -0.096 0.000 2.302 336 A HA 0.654 4.973 4.320 -0.002 0.000 0.295 336 A C 0.551 178.082 177.584 -0.088 0.000 1.235 336 A CA -0.131 51.842 52.037 -0.107 0.000 0.876 336 A CB -0.595 18.360 19.000 -0.075 0.000 1.133 336 A HN 0.883 nan 8.150 nan 0.000 0.533 337 A N 2.956 125.714 122.820 -0.103 0.000 3.033 337 A HA 0.508 4.827 4.320 -0.002 0.000 0.250 337 A C 0.627 178.158 177.584 -0.089 0.000 1.633 337 A CA 0.565 52.557 52.037 -0.075 0.000 1.290 337 A CB -0.789 18.167 19.000 -0.072 0.000 1.048 337 A HN 1.400 nan 8.150 nan 0.000 0.648 338 S N -0.758 114.883 115.700 -0.099 0.000 2.566 338 S HA 0.304 4.773 4.470 -0.002 0.000 0.273 338 S C 0.403 174.923 174.600 -0.133 0.000 1.157 338 S CA -0.544 57.590 58.200 -0.111 0.000 0.938 338 S CB 1.077 64.217 63.200 -0.099 0.000 1.087 338 S HN 0.502 nan 8.310 nan 0.000 0.474 339 Q N 2.165 121.863 119.800 -0.170 0.000 2.311 339 Q HA 0.013 4.352 4.340 -0.002 0.000 0.203 339 Q C 1.350 177.266 176.000 -0.140 0.000 0.954 339 Q CA 1.467 57.143 55.803 -0.211 0.000 0.885 339 Q CB -0.109 28.453 28.738 -0.292 0.000 0.963 339 Q HN 0.909 nan 8.270 nan 0.000 0.471 340 T N -3.321 111.167 114.554 -0.110 0.000 3.000 340 T HA 0.144 4.493 4.350 -0.002 0.000 0.248 340 T C 0.844 175.504 174.700 -0.066 0.000 1.034 340 T CA -0.220 61.830 62.100 -0.083 0.000 1.060 340 T CB 0.670 69.490 68.868 -0.078 0.000 0.983 340 T HN -0.070 nan 8.240 nan 0.000 0.482 341 S N 0.621 116.280 115.700 -0.069 0.000 2.557 341 S HA 0.499 4.968 4.470 -0.002 0.000 0.291 341 S C -0.717 173.850 174.600 -0.055 0.000 1.116 341 S CA -0.873 57.292 58.200 -0.058 0.000 0.992 341 S CB 1.111 64.274 63.200 -0.061 0.000 1.028 341 S HN 0.265 nan 8.310 nan 0.000 0.484 342 R N 2.959 123.437 120.500 -0.037 0.000 2.878 342 R HA 0.292 4.631 4.340 -0.002 0.000 0.239 342 R C -0.048 176.224 176.300 -0.046 0.000 1.515 342 R CA -0.066 56.018 56.100 -0.026 0.000 1.210 342 R CB -0.335 29.970 30.300 0.008 0.000 1.209 342 R HN 0.652 nan 8.270 nan 0.000 0.610 343 S N -0.269 115.383 115.700 -0.081 0.000 2.655 343 S HA 0.151 4.620 4.470 -0.002 0.000 0.266 343 S C -0.683 173.821 174.600 -0.160 0.000 1.149 343 S CA -1.077 57.055 58.200 -0.114 0.000 0.818 343 S CB 1.380 64.526 63.200 -0.090 0.000 1.130 343 S HN 0.378 nan 8.310 nan 0.000 0.476 344 Q N -0.219 119.462 119.800 -0.199 0.000 2.464 344 Q HA -0.083 4.256 4.340 -0.002 0.000 0.304 344 Q C 0.192 175.991 176.000 -0.335 0.000 1.401 344 Q CA 0.980 56.644 55.803 -0.232 0.000 0.806 344 Q CB -1.799 26.845 28.738 -0.158 0.000 1.134 344 Q HN 1.597 nan 8.270 nan 0.000 0.411 345 G N 1.666 110.122 108.800 -0.574 0.000 2.313 345 G HA2 0.390 4.349 3.960 -0.002 0.000 0.250 345 G HA3 0.390 4.349 3.960 -0.002 0.000 0.250 345 G C -0.293 174.105 174.900 -0.836 0.000 1.281 345 G CA 0.634 45.152 45.100 -0.971 0.000 0.917 345 G HN 0.278 nan 8.290 nan 0.000 0.501 346 T N 2.843 117.254 114.554 -0.239 0.000 2.893 346 T HA 0.435 4.784 4.350 -0.002 0.000 0.293 346 T C -0.301 174.522 174.700 0.205 0.000 1.027 346 T CA -0.531 61.577 62.100 0.012 0.000 0.988 346 T CB 1.610 70.448 68.868 -0.050 0.000 1.043 346 T HN 0.256 nan 8.240 nan 0.000 0.461 347 I N 3.168 123.849 120.570 0.185 0.000 2.321 347 I HA 0.423 4.592 4.170 -0.002 0.000 0.291 347 I C 0.467 176.648 176.117 0.107 0.000 0.998 347 I CA -0.634 60.721 61.300 0.092 0.000 1.227 347 I CB 1.094 39.067 38.000 -0.045 0.000 1.368 347 I HN 0.481 nan 8.210 nan 0.000 0.466 348 R N 5.863 126.474 120.500 0.184 0.000 2.604 348 R HA 0.704 5.043 4.340 -0.002 0.000 0.287 348 R C -0.513 176.057 176.300 0.449 0.000 0.970 348 R CA -0.761 55.504 56.100 0.275 0.000 0.946 348 R CB 2.568 32.996 30.300 0.213 0.000 1.127 348 R HN 0.536 nan 8.270 nan 0.000 0.473 349 M N 1.459 121.314 119.600 0.425 0.000 2.311 349 M HA 0.315 4.794 4.480 -0.002 0.000 0.325 349 M C -1.052 175.379 176.300 0.218 0.000 1.061 349 M CA -0.314 55.184 55.300 0.329 0.000 0.957 349 M CB 2.090 34.794 32.600 0.174 0.000 1.646 349 M HN 0.587 nan 8.290 nan 0.000 0.434 350 S N 2.667 118.319 115.700 -0.081 0.000 2.503 350 S HA 0.543 5.012 4.470 -0.002 0.000 0.301 350 S C -0.302 174.174 174.600 -0.206 0.000 1.087 350 S CA -0.755 57.182 58.200 -0.439 0.000 1.042 350 S CB 1.138 63.569 63.200 -1.281 0.000 1.043 350 S HN 0.924 nan 8.310 nan 0.000 0.489 351 c N 2.772 121.283 118.600 -0.149 0.000 2.863 351 c HA 0.425 4.994 4.570 -0.002 0.000 0.284 351 c C 0.075 174.129 174.090 -0.060 0.000 1.426 351 c CA -0.629 55.674 56.329 -0.044 0.000 1.782 351 c CB -1.726 40.794 42.510 0.017 0.000 2.554 351 c HN 0.896 nan 8.230 nan 0.000 0.566 352 D N -1.621 118.699 120.400 -0.132 0.000 3.007 352 D HA 0.114 4.753 4.640 -0.002 0.000 0.363 352 D C -0.165 176.061 176.300 -0.124 0.000 1.474 352 D CA -0.227 53.710 54.000 -0.105 0.000 0.767 352 D CB -0.731 40.010 40.800 -0.099 0.000 1.227 352 D HN 0.013 nan 8.370 nan 0.000 0.471 353 D N 0.278 120.610 120.400 -0.113 0.000 2.981 353 D HA -0.111 4.528 4.640 -0.002 0.000 0.223 353 D C 1.244 177.457 176.300 -0.145 0.000 1.151 353 D CA 1.634 55.587 54.000 -0.079 0.000 0.827 353 D CB -1.442 39.345 40.800 -0.021 0.000 1.101 353 D HN 0.859 nan 8.370 nan 0.000 0.426 354 G N -0.226 108.362 108.800 -0.354 0.000 2.136 354 G HA2 -0.406 3.553 3.960 -0.002 0.000 0.242 354 G HA3 -0.406 3.553 3.960 -0.002 0.000 0.242 354 G C 0.870 175.543 174.900 -0.379 0.000 0.989 354 G CA 0.843 45.616 45.100 -0.545 0.000 0.682 354 G HN 0.489 nan 8.290 nan 0.000 0.522 355 Q N -0.399 119.219 119.800 -0.303 0.000 2.083 355 Q HA 0.125 4.464 4.340 -0.002 0.000 0.198 355 Q C 1.620 177.505 176.000 -0.191 0.000 0.969 355 Q CA 1.615 57.315 55.803 -0.172 0.000 0.838 355 Q CB 0.149 28.821 28.738 -0.111 0.000 0.900 355 Q HN 0.811 nan 8.270 nan 0.000 0.436 356 T N -3.837 110.523 114.554 -0.324 0.000 2.906 356 T HA 0.482 4.831 4.350 -0.002 0.000 0.295 356 T C -1.437 173.013 174.700 -0.417 0.000 1.061 356 T CA -0.830 61.137 62.100 -0.221 0.000 1.000 356 T CB 1.014 69.817 68.868 -0.107 0.000 1.103 356 T HN 0.200 nan 8.240 nan 0.000 0.486 357 W N 2.278 123.559 121.300 -0.032 0.000 2.148 357 W HA 0.371 5.030 4.660 -0.001 0.000 0.288 357 W C -1.946 174.569 176.519 -0.006 0.000 0.920 357 W CA -1.949 55.385 57.345 -0.018 0.000 1.904 357 W CB 1.371 30.806 29.460 -0.041 0.000 2.083 357 W HN 0.611 nan 8.180 nan 0.000 0.398 358 P HA -0.004 nan 4.420 nan 0.000 0.229 358 P C 0.212 177.591 177.300 0.131 0.000 1.160 358 P CA 0.926 64.095 63.100 0.116 0.000 0.777 358 P CB 1.026 32.792 31.700 0.109 0.000 0.814 359 V N 0.969 120.973 119.914 0.151 0.000 2.417 359 V HA 0.423 4.542 4.120 -0.002 0.000 0.291 359 V C 0.254 176.420 176.094 0.122 0.000 1.024 359 V CA -0.294 62.075 62.300 0.116 0.000 0.861 359 V CB 1.604 33.491 31.823 0.106 0.000 0.985 359 V HN 0.215 nan 8.190 nan 0.000 0.436 360 S N 4.130 119.859 115.700 0.048 0.000 2.618 360 S HA 0.929 5.398 4.470 -0.002 0.000 0.277 360 S C -1.054 173.492 174.600 -0.090 0.000 1.138 360 S CA -0.971 57.237 58.200 0.013 0.000 0.844 360 S CB 2.654 65.868 63.200 0.024 0.000 1.127 360 S HN 0.719 nan 8.310 nan 0.000 0.474 361 K N 0.890 121.214 120.400 -0.127 0.000 2.580 361 K HA 0.442 4.761 4.320 -0.002 0.000 0.258 361 K C -1.860 174.663 176.600 -0.128 0.000 0.936 361 K CA -0.627 55.504 56.287 -0.260 0.000 0.852 361 K CB 1.882 33.994 32.500 -0.647 0.000 1.329 361 K HN 0.613 nan 8.250 nan 0.000 0.430 362 V N 6.249 126.087 119.914 -0.127 0.000 2.572 362 V HA 0.096 4.215 4.120 -0.002 0.000 0.291 362 V C 0.781 176.890 176.094 0.025 0.000 1.039 362 V CA 0.412 62.645 62.300 -0.111 0.000 1.055 362 V CB 0.194 31.922 31.823 -0.159 0.000 0.969 362 V HN 0.769 nan 8.190 nan 0.000 0.482 363 F N 2.222 122.125 119.950 -0.079 0.000 2.694 363 F HA 0.463 4.989 4.527 -0.001 0.000 0.292 363 F C 0.728 176.384 175.800 -0.240 0.000 1.121 363 F CA -0.213 57.658 58.000 -0.215 0.000 1.352 363 F CB 0.357 39.223 39.000 -0.223 0.000 1.107 363 F HN 0.453 nan 8.300 nan 0.000 0.597 364 Q N 1.534 120.860 119.800 -0.789 0.000 2.650 364 Q HA 0.411 4.750 4.340 -0.002 0.000 0.239 364 Q C -2.500 173.255 176.000 -0.409 0.000 0.893 364 Q CA -2.345 53.133 55.803 -0.542 0.000 0.755 364 Q CB 1.687 30.012 28.738 -0.689 0.000 1.349 364 Q HN -0.092 nan 8.270 nan 0.000 0.461 365 P HA 0.013 nan 4.420 nan 0.000 0.222 365 P C 0.269 177.486 177.300 -0.139 0.000 1.147 365 P CA 1.125 64.123 63.100 -0.169 0.000 0.790 365 P CB 0.453 32.089 31.700 -0.107 0.000 0.780 366 G N -0.900 107.829 108.800 -0.117 0.000 2.849 366 G HA2 0.249 4.208 3.960 -0.002 0.000 0.174 366 G HA3 0.249 4.208 3.960 -0.002 0.000 0.174 366 G C -0.633 174.221 174.900 -0.078 0.000 1.370 366 G CA -0.242 44.812 45.100 -0.077 0.000 1.040 366 G HN 0.029 nan 8.290 nan 0.000 0.582 367 S N 0.169 115.850 115.700 -0.033 0.000 2.546 367 S HA 0.332 4.801 4.470 -0.002 0.000 0.290 367 S C -0.056 174.557 174.600 0.022 0.000 1.262 367 S CA 0.250 58.443 58.200 -0.011 0.000 1.083 367 S CB -0.245 62.957 63.200 0.004 0.000 0.859 367 S HN 0.412 nan 8.310 nan 0.000 0.495 368 M N 5.482 125.084 119.600 0.003 0.000 2.213 368 M HA 0.308 4.787 4.480 -0.002 0.000 0.243 368 M C -0.236 176.106 176.300 0.069 0.000 0.979 368 M CA -0.232 55.091 55.300 0.039 0.000 1.037 368 M CB 0.850 33.340 32.600 -0.183 0.000 2.200 368 M HN 0.696 nan 8.290 nan 0.000 0.465 369 S N 2.927 118.712 115.700 0.142 0.000 2.720 369 S HA 0.400 4.869 4.470 -0.002 0.000 0.161 369 S C -0.379 174.418 174.600 0.327 0.000 0.936 369 S CA 0.156 58.463 58.200 0.178 0.000 1.419 369 S CB 0.053 63.306 63.200 0.089 0.000 0.608 369 S HN 0.589 nan 8.310 nan 0.000 0.465 370 Y N 2.697 123.038 120.300 0.069 0.000 2.346 370 Y HA 0.476 5.025 4.550 -0.002 0.000 0.330 370 Y C 0.839 176.814 175.900 0.125 0.000 1.178 370 Y CA -1.381 56.759 58.100 0.067 0.000 1.331 370 Y CB 0.199 38.688 38.460 0.048 0.000 1.253 370 Y HN 0.386 nan 8.280 nan 0.000 0.529 371 S N 0.529 116.355 115.700 0.209 0.000 2.546 371 S HA 0.738 5.207 4.470 -0.002 0.000 0.274 371 S C -0.761 173.888 174.600 0.082 0.000 1.121 371 S CA -0.833 57.475 58.200 0.180 0.000 0.887 371 S CB 2.369 65.661 63.200 0.153 0.000 1.094 371 S HN 0.587 nan 8.310 nan 0.000 0.474 372 T N 1.969 116.585 114.554 0.104 0.000 2.916 372 T HA 0.609 4.958 4.350 -0.002 0.000 0.298 372 T C -1.212 173.549 174.700 0.102 0.000 1.031 372 T CA -0.609 61.544 62.100 0.087 0.000 0.993 372 T CB 0.736 69.678 68.868 0.124 0.000 1.045 372 T HN 0.679 nan 8.240 nan 0.000 0.454 373 L N 2.671 123.949 121.223 0.093 0.000 2.352 373 L HA 0.809 5.148 4.340 -0.002 0.000 0.269 373 L C 0.190 177.150 176.870 0.150 0.000 1.034 373 L CA -0.651 54.261 54.840 0.120 0.000 0.806 373 L CB 2.206 44.330 42.059 0.109 0.000 1.244 373 L HN 0.618 nan 8.230 nan 0.000 0.447 374 T N 1.055 115.710 114.554 0.167 0.000 3.041 374 T HA 0.574 4.923 4.350 -0.002 0.000 0.321 374 T C -1.117 173.681 174.700 0.163 0.000 1.184 374 T CA -0.460 61.736 62.100 0.160 0.000 1.050 374 T CB 1.441 70.397 68.868 0.147 0.000 1.159 374 T HN 0.639 nan 8.240 nan 0.000 0.469 375 A N 4.695 127.603 122.820 0.146 0.000 2.409 375 A HA 0.705 5.024 4.320 -0.002 0.000 0.267 375 A C -0.216 177.318 177.584 -0.083 0.000 1.127 375 A CA -0.271 51.793 52.037 0.046 0.000 0.795 375 A CB -0.092 18.968 19.000 0.101 0.000 1.061 375 A HN 0.782 nan 8.150 nan 0.000 0.502 376 L N 3.728 124.804 121.223 -0.244 0.000 2.334 376 L HA 0.324 4.663 4.340 -0.002 0.000 0.275 376 L C -1.496 175.277 176.870 -0.161 0.000 1.036 376 L CA -2.000 52.736 54.840 -0.173 0.000 0.807 376 L CB 1.614 43.573 42.059 -0.167 0.000 1.231 376 L HN 0.474 nan 8.230 nan 0.000 0.438 377 P HA -0.196 nan 4.420 nan 0.000 0.217 377 P C 0.608 177.863 177.300 -0.075 0.000 1.148 377 P CA 1.159 64.215 63.100 -0.073 0.000 0.828 377 P CB 0.043 31.704 31.700 -0.065 0.000 0.783 378 D N -2.275 118.066 120.400 -0.099 0.000 2.349 378 D HA 0.070 4.709 4.640 -0.002 0.000 0.224 378 D C 1.444 177.683 176.300 -0.102 0.000 1.029 378 D CA 0.748 54.697 54.000 -0.084 0.000 0.879 378 D CB -0.820 39.936 40.800 -0.074 0.000 0.906 378 D HN 0.246 nan 8.370 nan 0.000 0.528 379 G N -0.208 108.488 108.800 -0.174 0.000 2.194 379 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.236 379 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.236 379 G C 0.568 175.186 174.900 -0.469 0.000 0.987 379 G CA 0.526 45.501 45.100 -0.209 0.000 0.635 379 G HN 0.798 nan 8.290 nan 0.000 0.520 380 T N -1.848 112.416 114.554 -0.484 0.000 2.852 380 T HA 0.710 5.059 4.350 -0.002 0.000 0.281 380 T C -0.262 173.832 174.700 -1.010 0.000 0.993 380 T CA -0.551 61.217 62.100 -0.553 0.000 0.933 380 T CB 1.738 70.452 68.868 -0.257 0.000 1.187 380 T HN 0.481 nan 8.240 nan 0.000 0.559 381 Y N -1.142 118.876 120.300 -0.469 0.000 2.391 381 Y HA 0.604 5.153 4.550 -0.002 0.000 0.341 381 Y C 0.732 176.375 175.900 -0.427 0.000 0.965 381 Y CA -1.032 56.748 58.100 -0.534 0.000 1.067 381 Y CB 2.037 39.964 38.460 -0.888 0.000 1.199 381 Y HN 1.089 nan 8.280 nan 0.000 0.450 382 G N 2.180 110.976 108.800 -0.007 0.000 2.395 382 G HA2 0.496 4.455 3.960 -0.002 0.000 0.283 382 G HA3 0.496 4.455 3.960 -0.002 0.000 0.283 382 G C -1.599 173.376 174.900 0.125 0.000 1.178 382 G CA -0.378 44.830 45.100 0.179 0.000 0.837 382 G HN 0.500 nan 8.290 nan 0.000 0.518 383 L N 3.019 124.275 121.223 0.055 0.000 2.529 383 L HA 0.482 4.821 4.340 -0.002 0.000 0.260 383 L C -1.289 175.651 176.870 0.116 0.000 0.997 383 L CA -0.798 54.070 54.840 0.048 0.000 0.885 383 L CB 1.541 43.579 42.059 -0.035 0.000 1.185 383 L HN 0.386 nan 8.230 nan 0.000 0.442 384 L N 6.189 127.533 121.223 0.202 0.000 2.260 384 L HA 0.619 4.958 4.340 -0.002 0.000 0.289 384 L C -0.791 176.208 176.870 0.216 0.000 1.057 384 L CA -0.004 54.948 54.840 0.187 0.000 0.811 384 L CB 0.565 42.737 42.059 0.188 0.000 1.184 384 L HN 0.652 nan 8.230 nan 0.000 0.429 385 Y N 1.443 121.767 120.300 0.040 0.000 2.677 385 Y HA 0.675 5.224 4.550 -0.002 0.000 0.334 385 Y C -1.028 174.905 175.900 0.054 0.000 1.154 385 Y CA -1.275 56.877 58.100 0.087 0.000 1.070 385 Y CB 1.156 39.723 38.460 0.177 0.000 1.294 385 Y HN 0.492 nan 8.280 nan 0.000 0.475 386 E N 2.991 123.349 120.200 0.264 0.000 2.073 386 E HA 0.251 4.600 4.350 -0.002 0.000 0.269 386 E C -2.221 174.483 176.600 0.174 0.000 0.917 386 E CA -2.164 54.283 56.400 0.080 0.000 0.757 386 E CB 1.482 31.214 29.700 0.053 0.000 1.111 386 E HN 0.479 nan 8.360 nan 0.000 0.410 387 P HA 0.071 nan 4.420 nan 0.000 0.255 387 P C 0.803 178.128 177.300 0.042 0.000 1.248 387 P CA 0.541 63.710 63.100 0.115 0.000 0.807 387 P CB 0.724 32.427 31.700 0.004 0.000 1.150 388 G N -0.078 108.723 108.800 0.003 0.000 2.259 388 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.217 388 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.217 388 G C 0.864 175.748 174.900 -0.027 0.000 1.001 388 G CA 0.518 45.610 45.100 -0.014 0.000 0.627 388 G HN 0.451 nan 8.290 nan 0.000 0.501 389 T N -1.512 113.020 114.554 -0.036 0.000 3.092 389 T HA 0.611 4.960 4.350 -0.002 0.000 0.258 389 T C 1.457 176.134 174.700 -0.039 0.000 1.031 389 T CA 1.376 63.457 62.100 -0.032 0.000 0.925 389 T CB 1.073 69.922 68.868 -0.032 0.000 1.036 389 T HN 2.213 nan 8.240 nan 0.000 0.544 390 G N 1.460 110.217 108.800 -0.071 0.000 2.350 390 G HA2 0.237 4.196 3.960 -0.002 0.000 0.085 390 G HA3 0.237 4.196 3.960 -0.002 0.000 0.085 390 G C -1.912 172.859 174.900 -0.216 0.000 1.159 390 G CA -0.614 44.426 45.100 -0.099 0.000 1.146 390 G HN 0.279 nan 8.290 nan 0.000 0.449 391 I N 1.244 121.589 120.570 -0.375 0.000 2.465 391 I HA 0.668 4.837 4.170 -0.002 0.000 0.291 391 I C 0.104 175.944 176.117 -0.462 0.000 1.014 391 I CA -0.521 60.507 61.300 -0.453 0.000 1.093 391 I CB 1.653 39.213 38.000 -0.733 0.000 1.267 391 I HN 0.696 nan 8.210 nan 0.000 0.431 392 R N 4.790 125.001 120.500 -0.482 0.000 2.628 392 R HA 0.412 4.751 4.340 -0.002 0.000 0.288 392 R C -1.897 174.176 176.300 -0.378 0.000 0.980 392 R CA -0.632 55.167 56.100 -0.502 0.000 0.891 392 R CB 2.239 32.118 30.300 -0.702 0.000 1.188 392 R HN 0.521 nan 8.270 nan 0.000 0.450 393 Y N 2.921 122.986 120.300 -0.393 0.000 2.331 393 Y HA 0.638 5.187 4.550 -0.002 0.000 0.338 393 Y C -1.238 174.582 175.900 -0.134 0.000 0.992 393 Y CA -0.610 57.330 58.100 -0.266 0.000 1.121 393 Y CB 1.573 39.785 38.460 -0.413 0.000 1.184 393 Y HN 0.724 nan 8.280 nan 0.000 0.469 394 A N 5.354 127.724 122.820 -0.752 0.000 2.337 394 A HA 0.581 4.900 4.320 -0.002 0.000 0.329 394 A C -1.265 175.731 177.584 -0.980 0.000 1.146 394 A CA -0.849 50.727 52.037 -0.769 0.000 0.800 394 A CB 0.897 19.678 19.000 -0.363 0.000 1.220 394 A HN 0.780 nan 8.150 nan 0.000 0.472 395 N N 0.518 118.732 118.700 -0.809 0.000 2.321 395 N HA 0.768 5.507 4.740 -0.002 0.000 0.299 395 N C -1.181 174.078 175.510 -0.418 0.000 1.048 395 N CA -0.447 52.294 53.050 -0.515 0.000 0.836 395 N CB 1.092 39.404 38.487 -0.291 0.000 1.269 395 N HN 0.590 nan 8.380 nan 0.000 0.486 396 F N 0.936 120.712 119.950 -0.290 0.000 2.645 396 F HA 0.647 5.173 4.527 -0.001 0.000 0.310 396 F C -1.170 174.712 175.800 0.137 0.000 1.102 396 F CA -1.111 56.794 58.000 -0.158 0.000 0.952 396 F CB 0.914 39.738 39.000 -0.294 0.000 1.326 396 F HN 0.427 nan 8.300 nan 0.000 0.456 397 N N 1.760 120.718 118.700 0.430 0.000 2.545 397 N HA 0.417 5.156 4.740 -0.002 0.000 0.289 397 N C -0.104 175.776 175.510 0.617 0.000 1.279 397 N CA -1.007 52.281 53.050 0.397 0.000 0.824 397 N CB 1.199 39.834 38.487 0.246 0.000 1.395 397 N HN 0.844 nan 8.380 nan 0.000 0.526 398 L N -0.294 121.216 121.223 0.478 0.000 2.141 398 L HA -0.025 4.314 4.340 -0.002 0.000 0.209 398 L C 2.387 179.458 176.870 0.336 0.000 1.094 398 L CA 1.404 56.495 54.840 0.419 0.000 0.763 398 L CB -0.697 41.571 42.059 0.348 0.000 0.908 398 L HN 0.767 nan 8.230 nan 0.000 0.437 399 A N 0.216 123.220 122.820 0.306 0.000 1.873 399 A HA -0.308 4.012 4.320 -0.002 0.000 0.218 399 A C 2.016 179.760 177.584 0.268 0.000 1.193 399 A CA 2.093 54.278 52.037 0.246 0.000 0.629 399 A CB -1.224 17.908 19.000 0.220 0.000 0.826 399 A HN 0.663 nan 8.150 nan 0.000 0.447 400 W N 0.199 121.620 121.300 0.201 0.000 2.338 400 W HA -0.166 4.493 4.660 -0.002 0.000 0.304 400 W C 1.548 178.142 176.519 0.126 0.000 1.212 400 W CA 1.672 59.126 57.345 0.182 0.000 1.264 400 W CB -0.393 29.229 29.460 0.271 0.000 1.142 400 W HN 0.269 nan 8.180 nan 0.000 0.512 401 L N 2.224 123.505 121.223 0.097 0.000 2.263 401 L HA 0.046 4.385 4.340 -0.002 0.000 0.216 401 L C 2.002 178.724 176.870 -0.248 0.000 1.111 401 L CA 2.165 56.874 54.840 -0.218 0.000 0.773 401 L CB -1.478 40.670 42.059 0.149 0.000 0.906 401 L HN 0.348 nan 8.230 nan 0.000 0.439 402 G N -0.699 108.032 108.800 -0.115 0.000 2.390 402 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.299 402 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.299 402 G C 0.605 175.481 174.900 -0.040 0.000 1.002 402 G CA 0.398 45.449 45.100 -0.081 0.000 0.979 402 G HN 0.864 nan 8.290 nan 0.000 0.513 403 G N -1.329 107.477 108.800 0.011 0.000 2.537 403 G HA2 0.737 4.696 3.960 -0.002 0.000 0.323 403 G HA3 0.737 4.696 3.960 -0.002 0.000 0.323 403 G C -0.643 174.291 174.900 0.057 0.000 1.207 403 G CA -0.847 44.273 45.100 0.033 0.000 0.976 403 G HN 0.823 nan 8.290 nan 0.000 0.487 404 I N -0.296 120.311 120.570 0.062 0.000 2.498 404 I HA 0.276 4.445 4.170 -0.002 0.000 0.290 404 I C -0.371 175.792 176.117 0.076 0.000 1.032 404 I CA -0.884 60.455 61.300 0.064 0.000 1.073 404 I CB 1.825 39.852 38.000 0.046 0.000 1.251 404 I HN 0.416 nan 8.210 nan 0.000 0.426 405 c N 7.232 125.876 118.600 0.073 0.000 3.183 405 c HA 0.445 5.014 4.570 -0.002 0.000 0.545 405 c C 0.880 175.008 174.090 0.064 0.000 1.044 405 c CA -0.186 56.183 56.329 0.067 0.000 1.117 405 c CB -2.172 40.375 42.510 0.062 0.000 1.393 405 c HN 0.630 nan 8.230 nan 0.000 0.611 406 A N 3.326 126.198 122.820 0.088 0.000 3.216 406 A HA 0.510 4.829 4.320 -0.002 0.000 0.321 406 A C -2.493 175.209 177.584 0.196 0.000 1.042 406 A CA -0.856 51.241 52.037 0.100 0.000 0.838 406 A CB 0.293 19.330 19.000 0.061 0.000 1.136 406 A HN 0.459 nan 8.150 nan 0.000 0.483 407 P HA 0.454 nan 4.420 nan 0.000 0.269 407 P C -0.674 176.791 177.300 0.274 0.000 1.215 407 P CA 0.299 63.505 63.100 0.176 0.000 0.780 407 P CB 0.375 32.104 31.700 0.049 0.000 0.898 408 F N -1.797 118.164 119.950 0.017 0.000 2.631 408 F HA 0.688 5.214 4.527 -0.002 0.000 0.308 408 F C -0.635 175.174 175.800 0.016 0.000 1.097 408 F CA -1.073 56.933 58.000 0.010 0.000 0.952 408 F CB 1.451 40.456 39.000 0.008 0.000 1.307 408 F HN 0.293 nan 8.300 nan 0.000 0.450 409 T N 0.614 115.200 114.554 0.054 0.000 2.855 409 T HA 0.800 5.149 4.350 -0.002 0.000 0.281 409 T C -0.791 173.908 174.700 -0.001 0.000 1.007 409 T CA -0.638 61.442 62.100 -0.034 0.000 1.009 409 T CB 1.616 70.477 68.868 -0.012 0.000 0.983 409 T HN 0.711 nan 8.240 nan 0.000 0.455 410 I N 3.596 124.123 120.570 -0.072 0.000 2.447 410 I HA 0.377 4.546 4.170 -0.002 0.000 0.287 410 I C -2.289 173.736 176.117 -0.153 0.000 1.023 410 I CA -2.757 58.416 61.300 -0.211 0.000 1.083 410 I CB 2.397 40.044 38.000 -0.589 0.000 1.245 410 I HN 0.473 nan 8.210 nan 0.000 0.434 411 P HA 0.057 nan 4.420 nan 0.000 0.269 411 P C -0.819 176.505 177.300 0.040 0.000 1.209 411 P CA -0.138 62.942 63.100 -0.033 0.000 0.776 411 P CB 0.700 32.379 31.700 -0.036 0.000 0.876 412 D N 0.341 120.816 120.400 0.126 0.000 2.400 412 D HA 0.213 4.852 4.640 -0.002 0.000 0.238 412 D C -0.073 176.321 176.300 0.157 0.000 1.157 412 D CA 0.308 54.431 54.000 0.205 0.000 0.889 412 D CB 0.721 41.601 40.800 0.134 0.000 1.199 412 D HN 0.013 nan 8.370 nan 0.000 0.436 413 V N 0.048 120.083 119.914 0.201 0.000 3.049 413 V HA 0.701 4.820 4.120 -0.002 0.000 0.309 413 V C -1.493 174.676 176.094 0.126 0.000 1.148 413 V CA -0.640 61.744 62.300 0.139 0.000 0.990 413 V CB 2.120 34.027 31.823 0.140 0.000 1.039 413 V HN 0.663 nan 8.190 nan 0.000 0.430 414 A N 5.574 128.442 122.820 0.080 0.000 2.330 414 A HA 0.937 5.256 4.320 -0.002 0.000 0.313 414 A C -1.307 176.298 177.584 0.035 0.000 1.124 414 A CA -0.432 51.643 52.037 0.063 0.000 0.774 414 A CB 1.217 20.244 19.000 0.045 0.000 1.198 414 A HN 1.375 nan 8.150 nan 0.000 0.465 415 L N -0.836 120.398 121.223 0.019 0.000 2.397 415 L HA 0.796 5.135 4.340 -0.002 0.000 0.251 415 L C -0.377 176.475 176.870 -0.029 0.000 1.064 415 L CA -1.038 53.793 54.840 -0.015 0.000 0.859 415 L CB 0.369 42.403 42.059 -0.041 0.000 1.468 415 L HN 0.428 nan 8.230 nan 0.000 0.411 416 E N 1.213 121.389 120.200 -0.041 0.000 2.349 416 E HA 0.404 4.753 4.350 -0.002 0.000 0.265 416 E C -2.397 174.149 176.600 -0.089 0.000 1.064 416 E CA -1.850 54.523 56.400 -0.046 0.000 0.886 416 E CB 0.371 30.051 29.700 -0.034 0.000 1.036 416 E HN 0.494 nan 8.360 nan 0.000 0.413 417 P HA 0.055 nan 4.420 nan 0.000 0.269 417 P C 0.531 177.757 177.300 -0.123 0.000 1.209 417 P CA 0.399 63.419 63.100 -0.134 0.000 0.776 417 P CB 0.425 32.072 31.700 -0.087 0.000 0.876 418 G N 0.254 108.957 108.800 -0.163 0.000 2.136 418 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.242 418 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.242 418 G C -0.075 174.759 174.900 -0.110 0.000 0.989 418 G CA -0.247 44.779 45.100 -0.123 0.000 0.682 418 G HN 0.572 nan 8.290 nan 0.000 0.522 419 Q N -0.571 119.149 119.800 -0.134 0.000 2.496 419 Q HA 0.662 5.001 4.340 -0.002 0.000 0.286 419 Q C 0.042 175.969 176.000 -0.122 0.000 1.103 419 Q CA -0.515 55.226 55.803 -0.104 0.000 0.813 419 Q CB 1.704 30.395 28.738 -0.078 0.000 1.444 419 Q HN 0.785 nan 8.270 nan 0.000 0.443 420 Q N -0.949 118.802 119.800 -0.081 0.000 2.423 420 Q HA 0.839 5.178 4.340 -0.002 0.000 0.278 420 Q C -1.423 174.555 176.000 -0.038 0.000 1.097 420 Q CA -0.804 54.959 55.803 -0.067 0.000 0.809 420 Q CB 2.452 31.160 28.738 -0.050 0.000 1.391 420 Q HN 0.339 nan 8.270 nan 0.000 0.428 421 V N 0.835 120.737 119.914 -0.019 0.000 3.130 421 V HA 0.696 4.815 4.120 -0.002 0.000 0.310 421 V C -1.357 174.739 176.094 0.004 0.000 1.158 421 V CA -0.351 61.946 62.300 -0.005 0.000 1.029 421 V CB 2.818 34.643 31.823 0.005 0.000 1.057 421 V HN 1.029 nan 8.190 nan 0.000 0.436 422 T N 3.587 118.140 114.554 -0.003 0.000 2.841 422 T HA 0.695 5.044 4.350 -0.002 0.000 0.283 422 T C -0.785 173.902 174.700 -0.022 0.000 1.000 422 T CA -0.306 61.789 62.100 -0.008 0.000 0.977 422 T CB 1.414 70.277 68.868 -0.008 0.000 0.979 422 T HN 1.095 nan 8.240 nan 0.000 0.446 423 V N 1.059 120.946 119.914 -0.045 0.000 2.823 423 V HA 0.837 4.956 4.120 -0.002 0.000 0.312 423 V C -2.886 173.165 176.094 -0.072 0.000 1.072 423 V CA -3.156 59.102 62.300 -0.070 0.000 0.937 423 V CB 1.730 33.479 31.823 -0.124 0.000 1.013 423 V HN 0.585 nan 8.190 nan 0.000 0.430 424 P HA 0.339 nan 4.420 nan 0.000 0.276 424 P C -0.618 176.654 177.300 -0.048 0.000 1.230 424 P CA -0.080 62.994 63.100 -0.043 0.000 0.776 424 P CB 1.357 33.041 31.700 -0.027 0.000 0.888 425 V N 2.366 122.265 119.914 -0.024 0.000 2.435 425 V HA 0.666 4.785 4.120 -0.002 0.000 0.290 425 V C 0.409 176.522 176.094 0.031 0.000 1.030 425 V CA -0.729 61.581 62.300 0.017 0.000 0.881 425 V CB 1.192 33.030 31.823 0.025 0.000 0.983 425 V HN 0.732 nan 8.190 nan 0.000 0.445 426 A N 4.480 127.340 122.820 0.068 0.000 2.332 426 A HA 0.799 5.118 4.320 -0.002 0.000 0.300 426 A C -0.889 176.762 177.584 0.111 0.000 1.153 426 A CA -0.488 51.585 52.037 0.060 0.000 0.764 426 A CB 1.391 20.413 19.000 0.038 0.000 1.174 426 A HN 0.649 nan 8.150 nan 0.000 0.467 427 V N 2.378 122.340 119.914 0.080 0.000 2.398 427 V HA 0.455 4.574 4.120 -0.002 0.000 0.286 427 V C 0.203 176.335 176.094 0.063 0.000 1.026 427 V CA -0.285 62.075 62.300 0.100 0.000 0.868 427 V CB 1.679 33.509 31.823 0.012 0.000 0.982 427 V HN 0.847 nan 8.190 nan 0.000 0.443 428 T N 4.124 118.723 114.554 0.075 0.000 2.781 428 T HA 0.194 4.543 4.350 -0.002 0.000 0.305 428 T C 0.197 174.921 174.700 0.041 0.000 1.001 428 T CA -0.227 61.899 62.100 0.043 0.000 0.950 428 T CB -0.015 68.873 68.868 0.033 0.000 0.955 428 T HN 0.596 nan 8.240 nan 0.000 0.471 429 N N 3.069 121.785 118.700 0.026 0.000 2.402 429 N HA 0.070 4.809 4.740 -0.002 0.000 0.259 429 N C 0.859 176.381 175.510 0.020 0.000 1.167 429 N CA -0.043 53.021 53.050 0.023 0.000 0.949 429 N CB 0.591 39.085 38.487 0.012 0.000 1.212 429 N HN 0.545 nan 8.380 nan 0.000 0.493 430 Q N 0.736 120.551 119.800 0.025 0.000 2.280 430 Q HA 0.054 4.393 4.340 -0.002 0.000 0.201 430 Q C 1.064 177.081 176.000 0.028 0.000 0.890 430 Q CA 0.056 55.871 55.803 0.021 0.000 0.947 430 Q CB 0.341 29.089 28.738 0.017 0.000 1.081 430 Q HN 0.692 nan 8.270 nan 0.000 0.502 431 S N -0.818 114.901 115.700 0.031 0.000 2.528 431 S HA 0.112 4.581 4.470 -0.002 0.000 0.219 431 S C 1.633 176.249 174.600 0.026 0.000 0.985 431 S CA 0.342 58.564 58.200 0.037 0.000 0.914 431 S CB 0.029 63.253 63.200 0.040 0.000 0.776 431 S HN 0.459 nan 8.310 nan 0.000 0.526 432 G N 2.019 110.828 108.800 0.016 0.000 2.269 432 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.277 432 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.277 432 G C 0.074 174.980 174.900 0.010 0.000 1.008 432 G CA 0.948 46.054 45.100 0.009 0.000 0.774 432 G HN 1.015 nan 8.290 nan 0.000 0.511 433 I N -3.186 117.392 120.570 0.013 0.000 2.846 433 I HA 0.883 5.052 4.170 -0.002 0.000 0.307 433 I C 0.210 176.331 176.117 0.007 0.000 1.053 433 I CA -1.291 60.016 61.300 0.012 0.000 1.050 433 I CB 2.252 40.263 38.000 0.017 0.000 1.239 433 I HN 0.248 nan 8.210 nan 0.000 0.439 434 A N 3.877 126.700 122.820 0.005 0.000 2.301 434 A HA 0.717 5.036 4.320 -0.002 0.000 0.312 434 A C -0.498 177.086 177.584 -0.001 0.000 1.182 434 A CA -0.523 51.515 52.037 0.000 0.000 0.826 434 A CB 1.160 20.160 19.000 -0.001 0.000 1.134 434 A HN 0.563 nan 8.150 nan 0.000 0.501 435 V N 5.090 125.001 119.914 -0.006 0.000 2.357 435 V HA 0.234 4.353 4.120 -0.002 0.000 0.281 435 V C -1.883 174.203 176.094 -0.014 0.000 1.015 435 V CA -0.921 61.373 62.300 -0.010 0.000 0.827 435 V CB 1.325 33.138 31.823 -0.017 0.000 1.018 435 V HN 0.790 nan 8.190 nan 0.000 0.432 436 P HA -0.105 nan 4.420 nan 0.000 0.215 436 P C 0.414 177.705 177.300 -0.015 0.000 1.157 436 P CA 1.311 64.404 63.100 -0.011 0.000 0.874 436 P CB 0.235 31.930 31.700 -0.007 0.000 0.790 437 K N -0.533 119.857 120.400 -0.017 0.000 2.682 437 K HA 0.316 4.635 4.320 -0.002 0.000 0.189 437 K C -2.479 174.104 176.600 -0.028 0.000 1.062 437 K CA -1.618 54.657 56.287 -0.020 0.000 0.997 437 K CB 0.826 33.318 32.500 -0.014 0.000 1.405 437 K HN 0.202 nan 8.250 nan 0.000 0.588 438 P HA 0.157 nan 4.420 nan 0.000 0.274 438 P C -0.231 177.032 177.300 -0.061 0.000 1.237 438 P CA -0.183 62.883 63.100 -0.057 0.000 0.793 438 P CB 1.111 32.764 31.700 -0.077 0.000 0.977 439 S N 0.723 116.380 115.700 -0.072 0.000 2.564 439 S HA 0.619 5.088 4.470 -0.002 0.000 0.274 439 S C -1.454 173.097 174.600 -0.081 0.000 1.124 439 S CA -0.729 57.434 58.200 -0.062 0.000 0.869 439 S CB 1.336 64.515 63.200 -0.035 0.000 1.105 439 S HN 0.294 nan 8.310 nan 0.000 0.472 440 L N 1.985 123.172 121.223 -0.061 0.000 2.362 440 L HA 0.633 4.972 4.340 -0.002 0.000 0.275 440 L C -0.664 176.211 176.870 0.008 0.000 0.998 440 L CA -0.139 54.670 54.840 -0.051 0.000 0.820 440 L CB 1.720 43.742 42.059 -0.062 0.000 1.270 440 L HN 0.982 nan 8.230 nan 0.000 0.415 441 Q N 4.548 124.371 119.800 0.038 0.000 2.309 441 Q HA 0.615 4.954 4.340 -0.002 0.000 0.270 441 Q C -1.927 174.129 176.000 0.093 0.000 1.023 441 Q CA -0.605 55.230 55.803 0.053 0.000 0.758 441 Q CB 1.474 30.232 28.738 0.035 0.000 1.247 441 Q HN 0.684 nan 8.270 nan 0.000 0.455 442 L N 2.848 124.131 121.223 0.100 0.000 2.325 442 L HA 0.484 4.823 4.340 -0.002 0.000 0.278 442 L C -0.553 176.353 176.870 0.061 0.000 1.023 442 L CA -0.662 54.254 54.840 0.126 0.000 0.811 442 L CB 1.676 43.851 42.059 0.192 0.000 1.249 442 L HN 0.599 nan 8.230 nan 0.000 0.431 443 D N 2.217 122.629 120.400 0.020 0.000 2.461 443 D HA 0.682 5.321 4.640 -0.002 0.000 0.240 443 D C -0.730 175.503 176.300 -0.113 0.000 1.094 443 D CA -0.136 53.841 54.000 -0.038 0.000 0.868 443 D CB 1.245 42.021 40.800 -0.040 0.000 1.062 443 D HN 0.646 nan 8.370 nan 0.000 0.530 444 A N 2.482 125.217 122.820 -0.141 0.000 2.470 444 A HA 0.720 5.039 4.320 -0.002 0.000 0.271 444 A C -0.296 177.057 177.584 -0.384 0.000 1.269 444 A CA -0.791 51.054 52.037 -0.321 0.000 0.828 444 A CB 1.102 19.922 19.000 -0.300 0.000 1.374 444 A HN 0.404 nan 8.150 nan 0.000 0.454 445 S N 0.516 115.772 115.700 -0.739 0.000 2.525 445 S HA 0.236 4.705 4.470 -0.002 0.000 0.285 445 S C -1.454 172.993 174.600 -0.256 0.000 1.283 445 S CA -0.851 57.019 58.200 -0.550 0.000 1.072 445 S CB 0.196 62.909 63.200 -0.811 0.000 0.867 445 S HN 0.338 nan 8.310 nan 0.000 0.492 446 P HA -0.201 nan 4.420 nan 0.000 0.221 446 P C 0.745 178.070 177.300 0.042 0.000 1.153 446 P CA 1.561 64.646 63.100 -0.025 0.000 0.858 446 P CB -0.028 31.661 31.700 -0.017 0.000 0.783 447 D N -4.133 116.326 120.400 0.098 0.000 2.367 447 D HA -0.061 4.578 4.640 -0.002 0.000 0.207 447 D C 0.400 176.861 176.300 0.269 0.000 1.034 447 D CA -0.012 54.084 54.000 0.160 0.000 0.861 447 D CB -0.574 40.322 40.800 0.161 0.000 0.943 447 D HN 0.104 nan 8.370 nan 0.000 0.515 448 W N 1.516 122.783 121.300 -0.056 0.000 2.126 448 W HA 0.470 5.129 4.660 -0.002 0.000 0.346 448 W C 0.488 176.990 176.519 -0.028 0.000 1.279 448 W CA -0.615 56.697 57.345 -0.056 0.000 1.259 448 W CB 0.120 29.532 29.460 -0.080 0.000 1.133 448 W HN -0.205 nan 8.180 nan 0.000 0.592 449 Q N 0.811 120.728 119.800 0.195 0.000 2.341 449 Q HA 0.590 4.929 4.340 -0.002 0.000 0.268 449 Q C -1.346 174.744 176.000 0.150 0.000 1.013 449 Q CA -0.369 55.511 55.803 0.129 0.000 0.798 449 Q CB 1.614 30.391 28.738 0.065 0.000 1.253 449 Q HN 0.241 nan 8.270 nan 0.000 0.457 450 V N 4.515 124.523 119.914 0.156 0.000 2.623 450 V HA 0.630 4.749 4.120 -0.002 0.000 0.304 450 V C -0.875 175.296 176.094 0.127 0.000 1.054 450 V CA -0.667 61.738 62.300 0.175 0.000 0.882 450 V CB 1.772 33.737 31.823 0.237 0.000 1.002 450 V HN 0.841 nan 8.190 nan 0.000 0.424 451 Q N 3.255 123.122 119.800 0.112 0.000 2.578 451 Q HA 0.865 5.205 4.340 -0.002 0.000 0.284 451 Q C -0.648 175.389 176.000 0.063 0.000 0.960 451 Q CA -0.783 55.067 55.803 0.078 0.000 0.809 451 Q CB 2.704 31.475 28.738 0.054 0.000 1.462 451 Q HN 0.960 nan 8.270 nan 0.000 0.392 452 G N 0.166 108.992 108.800 0.044 0.000 2.548 452 G HA2 0.694 4.653 3.960 -0.002 0.000 0.301 452 G HA3 0.694 4.653 3.960 -0.002 0.000 0.301 452 G C -1.472 173.429 174.900 0.001 0.000 1.349 452 G CA -0.179 44.934 45.100 0.023 0.000 0.792 452 G HN 1.373 nan 8.290 nan 0.000 0.481 453 S N -2.260 113.429 115.700 -0.018 0.000 2.580 453 S HA 0.696 5.165 4.470 -0.002 0.000 0.281 453 S C -1.713 172.857 174.600 -0.050 0.000 1.129 453 S CA -0.243 57.937 58.200 -0.034 0.000 0.862 453 S CB 1.458 64.645 63.200 -0.022 0.000 1.090 453 S HN 2.073 nan 8.310 nan 0.000 0.451 454 V N 1.188 121.062 119.914 -0.066 0.000 2.823 454 V HA 0.657 4.776 4.120 -0.002 0.000 0.312 454 V C -0.389 175.673 176.094 -0.054 0.000 1.072 454 V CA -0.635 61.622 62.300 -0.072 0.000 0.937 454 V CB 1.869 33.620 31.823 -0.120 0.000 1.013 454 V HN 1.099 nan 8.190 nan 0.000 0.430 455 E N 5.688 125.862 120.200 -0.042 0.000 2.408 455 E HA 0.261 4.610 4.350 -0.002 0.000 0.259 455 E C -2.353 174.226 176.600 -0.035 0.000 1.110 455 E CA -1.083 55.297 56.400 -0.033 0.000 0.929 455 E CB 0.402 30.088 29.700 -0.024 0.000 0.971 455 E HN 0.602 nan 8.360 nan 0.000 0.438 456 P HA -0.103 nan 4.420 nan 0.000 0.266 456 P C -0.710 176.576 177.300 -0.024 0.000 1.186 456 P CA 0.721 63.806 63.100 -0.025 0.000 0.767 456 P CB 0.368 32.057 31.700 -0.017 0.000 0.820 457 L N 3.436 124.646 121.223 -0.023 0.000 2.276 457 L HA 0.381 4.720 4.340 -0.002 0.000 0.286 457 L C 0.797 177.660 176.870 -0.010 0.000 1.061 457 L CA -0.187 54.642 54.840 -0.018 0.000 0.807 457 L CB 0.227 42.274 42.059 -0.020 0.000 1.177 457 L HN 0.275 nan 8.230 nan 0.000 0.429 458 M N 4.287 123.882 119.600 -0.007 0.000 2.456 458 M HA 0.428 4.907 4.480 -0.002 0.000 0.324 458 M C -2.412 173.887 176.300 -0.002 0.000 1.124 458 M CA -1.946 53.352 55.300 -0.004 0.000 0.959 458 M CB 2.127 34.724 32.600 -0.005 0.000 1.692 458 M HN 0.204 nan 8.290 nan 0.000 0.444 459 P HA 0.031 nan 4.420 nan 0.000 0.262 459 P C 0.664 177.965 177.300 0.000 0.000 1.182 459 P CA 0.983 64.084 63.100 0.001 0.000 0.761 459 P CB 0.333 32.033 31.700 0.000 0.000 0.795 460 G N 2.165 110.966 108.800 0.002 0.000 2.203 460 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.263 460 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.263 460 G C 0.136 175.037 174.900 0.001 0.000 1.012 460 G CA -0.113 44.988 45.100 0.001 0.000 0.749 460 G HN 0.581 nan 8.290 nan 0.000 0.512 461 R N -1.081 119.420 120.500 0.002 0.000 2.867 461 R HA 0.598 4.937 4.340 -0.002 0.000 0.268 461 R C -0.352 175.950 176.300 0.004 0.000 1.014 461 R CA -0.959 55.142 56.100 0.001 0.000 0.946 461 R CB 1.184 31.483 30.300 -0.001 0.000 1.208 461 R HN 0.269 nan 8.270 nan 0.000 0.477 462 Q N 0.478 120.280 119.800 0.003 0.000 2.230 462 Q HA 0.581 4.920 4.340 -0.002 0.000 0.253 462 Q C -1.422 174.579 176.000 0.001 0.000 0.919 462 Q CA -0.332 55.475 55.803 0.007 0.000 0.908 462 Q CB 1.820 30.563 28.738 0.008 0.000 1.245 462 Q HN 0.708 nan 8.270 nan 0.000 0.437 463 A N 3.580 126.401 122.820 0.000 0.000 2.342 463 A HA 0.549 4.868 4.320 -0.002 0.000 0.323 463 A C -1.119 176.459 177.584 -0.009 0.000 1.125 463 A CA -0.774 51.257 52.037 -0.010 0.000 0.785 463 A CB 1.129 20.115 19.000 -0.023 0.000 1.221 463 A HN 0.757 nan 8.150 nan 0.000 0.463 464 K N 0.594 120.987 120.400 -0.013 0.000 2.118 464 K HA 0.635 4.954 4.320 -0.002 0.000 0.264 464 K C 0.309 176.896 176.600 -0.022 0.000 1.000 464 K CA 0.081 56.361 56.287 -0.013 0.000 0.929 464 K CB 1.741 34.234 32.500 -0.011 0.000 1.021 464 K HN 0.898 nan 8.250 nan 0.000 0.463 465 G N 0.635 109.423 108.800 -0.021 0.000 2.645 465 G HA2 0.448 4.407 3.960 -0.002 0.000 0.292 465 G HA3 0.448 4.407 3.960 -0.002 0.000 0.292 465 G C -1.967 172.919 174.900 -0.024 0.000 1.415 465 G CA -0.658 44.425 45.100 -0.028 0.000 0.785 465 G HN 0.480 nan 8.290 nan 0.000 0.483 466 Q N -1.385 118.400 119.800 -0.025 0.000 2.379 466 Q HA 0.739 5.078 4.340 -0.002 0.000 0.278 466 Q C -1.689 174.298 176.000 -0.022 0.000 1.068 466 Q CA -0.950 54.838 55.803 -0.026 0.000 0.816 466 Q CB 2.372 31.099 28.738 -0.018 0.000 1.387 466 Q HN 0.607 nan 8.270 nan 0.000 0.413 467 V N 1.988 121.882 119.914 -0.034 0.000 2.531 467 V HA 0.644 4.763 4.120 -0.002 0.000 0.301 467 V C -0.744 175.354 176.094 0.008 0.000 1.034 467 V CA -0.495 61.800 62.300 -0.008 0.000 0.865 467 V CB 2.147 33.947 31.823 -0.038 0.000 0.995 467 V HN 0.968 nan 8.190 nan 0.000 0.424 468 T N 6.338 120.916 114.554 0.039 0.000 2.795 468 T HA 0.733 5.082 4.350 -0.002 0.000 0.282 468 T C -0.458 174.292 174.700 0.084 0.000 0.980 468 T CA -0.102 62.023 62.100 0.043 0.000 1.012 468 T CB 0.945 69.829 68.868 0.027 0.000 0.936 468 T HN 0.366 nan 8.240 nan 0.000 0.457 469 I N 2.699 123.319 120.570 0.083 0.000 2.439 469 I HA 0.316 4.485 4.170 -0.002 0.000 0.285 469 I C 0.105 176.224 176.117 0.002 0.000 1.021 469 I CA -0.429 60.941 61.300 0.117 0.000 1.091 469 I CB 2.034 40.155 38.000 0.203 0.000 1.242 469 I HN 0.501 nan 8.210 nan 0.000 0.439 470 T N 5.515 120.051 114.554 -0.031 0.000 2.772 470 T HA 0.474 4.823 4.350 -0.002 0.000 0.288 470 T C -0.149 174.348 174.700 -0.339 0.000 0.994 470 T CA -0.498 61.521 62.100 -0.135 0.000 0.951 470 T CB 1.247 70.071 68.868 -0.073 0.000 0.933 470 T HN 0.159 nan 8.240 nan 0.000 0.447 471 V N 7.025 126.620 119.914 -0.531 0.000 2.383 471 V HA 0.295 4.414 4.120 -0.002 0.000 0.275 471 V C -2.058 173.717 176.094 -0.532 0.000 1.036 471 V CA -2.180 59.559 62.300 -0.935 0.000 0.889 471 V CB 0.944 32.162 31.823 -1.008 0.000 0.985 471 V HN 0.669 nan 8.190 nan 0.000 0.459 472 P HA 0.123 nan 4.420 nan 0.000 0.268 472 P C -0.200 176.996 177.300 -0.172 0.000 1.208 472 P CA 0.031 63.002 63.100 -0.214 0.000 0.777 472 P CB 0.468 32.101 31.700 -0.112 0.000 0.875 473 A N 2.390 125.147 122.820 -0.106 0.000 2.498 473 A HA 0.429 4.748 4.320 -0.002 0.000 0.239 473 A C 1.521 179.078 177.584 -0.046 0.000 1.068 473 A CA 0.773 52.767 52.037 -0.072 0.000 0.766 473 A CB -1.313 17.657 19.000 -0.049 0.000 1.003 473 A HN 0.872 nan 8.150 nan 0.000 0.497 474 G N 1.446 110.227 108.800 -0.031 0.000 2.195 474 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.246 474 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.246 474 G C 0.473 175.383 174.900 0.016 0.000 0.984 474 G CA 0.404 45.502 45.100 -0.003 0.000 0.633 474 G HN 1.238 nan 8.290 nan 0.000 0.525 475 T N 2.864 117.414 114.554 -0.007 0.000 2.829 475 T HA 0.405 4.754 4.350 -0.002 0.000 0.293 475 T C 0.946 175.704 174.700 0.096 0.000 0.970 475 T CA 0.996 63.118 62.100 0.036 0.000 1.168 475 T CB 0.725 69.542 68.868 -0.086 0.000 0.911 475 T HN 0.325 nan 8.240 nan 0.000 0.535 476 T N 7.326 121.983 114.554 0.172 0.000 2.934 476 T HA 0.110 4.459 4.350 -0.002 0.000 0.306 476 T C -1.978 172.868 174.700 0.243 0.000 1.042 476 T CA -0.745 61.462 62.100 0.180 0.000 1.145 476 T CB 0.193 69.175 68.868 0.190 0.000 0.982 476 T HN 0.346 nan 8.240 nan 0.000 0.544 477 P HA 0.397 nan 4.420 nan 0.000 0.266 477 P C 0.238 177.626 177.300 0.147 0.000 1.195 477 P CA 0.343 63.528 63.100 0.142 0.000 0.768 477 P CB 0.518 32.255 31.700 0.061 0.000 0.838 478 G N 1.412 110.309 108.800 0.162 0.000 2.315 478 G HA2 0.247 4.206 3.960 -0.002 0.000 0.294 478 G HA3 0.247 4.206 3.960 -0.002 0.000 0.294 478 G C -1.686 173.205 174.900 -0.015 0.000 1.300 478 G CA -0.838 44.239 45.100 -0.039 0.000 0.843 478 G HN 0.365 nan 8.290 nan 0.000 0.527 479 R N -0.047 120.345 120.500 -0.181 0.000 2.295 479 R HA 0.513 4.853 4.340 -0.002 0.000 0.324 479 R C -1.392 174.775 176.300 -0.223 0.000 0.968 479 R CA -0.417 55.639 56.100 -0.074 0.000 0.837 479 R CB 1.111 31.372 30.300 -0.065 0.000 1.133 479 R HN 0.505 nan 8.270 nan 0.000 0.450 480 Y N 1.731 122.053 120.300 0.037 0.000 2.364 480 Y HA 0.336 4.885 4.550 -0.002 0.000 0.340 480 Y C 0.531 176.348 175.900 -0.138 0.000 0.975 480 Y CA -0.798 57.268 58.100 -0.057 0.000 1.089 480 Y CB 1.497 39.931 38.460 -0.044 0.000 1.192 480 Y HN 0.171 nan 8.280 nan 0.000 0.454 481 R N 2.874 123.331 120.500 -0.071 0.000 2.265 481 R HA 0.482 4.822 4.340 -0.002 0.000 0.314 481 R C -1.463 174.678 176.300 -0.264 0.000 1.053 481 R CA -0.309 55.697 56.100 -0.156 0.000 0.931 481 R CB 0.840 31.067 30.300 -0.122 0.000 1.024 481 R HN 0.537 nan 8.270 nan 0.000 0.457 482 V N 3.418 123.063 119.914 -0.448 0.000 2.417 482 V HA 0.402 4.522 4.120 -0.002 0.000 0.291 482 V C 0.761 176.632 176.094 -0.372 0.000 1.024 482 V CA -0.894 61.099 62.300 -0.511 0.000 0.861 482 V CB 1.764 33.109 31.823 -0.797 0.000 0.985 482 V HN 0.886 nan 8.190 nan 0.000 0.436 483 G N 3.036 111.736 108.800 -0.167 0.000 2.420 483 G HA2 0.644 4.603 3.960 -0.002 0.000 0.284 483 G HA3 0.644 4.603 3.960 -0.002 0.000 0.284 483 G C -0.391 174.556 174.900 0.078 0.000 1.177 483 G CA 0.006 45.081 45.100 -0.042 0.000 0.841 483 G HN 1.146 nan 8.290 nan 0.000 0.527 484 A N 1.418 124.340 122.820 0.169 0.000 2.374 484 A HA 0.798 5.117 4.320 -0.002 0.000 0.305 484 A C -0.184 177.617 177.584 0.361 0.000 1.053 484 A CA -0.588 51.636 52.037 0.310 0.000 0.726 484 A CB 1.750 21.047 19.000 0.495 0.000 1.229 484 A HN 0.651 nan 8.150 nan 0.000 0.431 485 T N 2.720 117.447 114.554 0.288 0.000 2.786 485 T HA 0.434 4.783 4.350 -0.002 0.000 0.283 485 T C -0.561 174.196 174.700 0.095 0.000 0.992 485 T CA -0.265 61.976 62.100 0.235 0.000 0.954 485 T CB 0.946 69.880 68.868 0.109 0.000 0.934 485 T HN 0.653 nan 8.240 nan 0.000 0.440 486 L N 5.179 126.397 121.223 -0.010 0.000 2.325 486 L HA 0.415 4.754 4.340 -0.002 0.000 0.284 486 L C -0.013 176.811 176.870 -0.077 0.000 1.089 486 L CA -0.019 54.675 54.840 -0.243 0.000 0.836 486 L CB -0.114 41.618 42.059 -0.546 0.000 1.184 486 L HN 0.491 nan 8.230 nan 0.000 0.444 487 R N 3.752 124.212 120.500 -0.067 0.000 2.255 487 R HA 0.577 4.916 4.340 -0.002 0.000 0.326 487 R C -0.251 176.027 176.300 -0.037 0.000 0.986 487 R CA -0.393 55.687 56.100 -0.033 0.000 0.847 487 R CB 1.131 31.419 30.300 -0.020 0.000 1.111 487 R HN 0.761 nan 8.270 nan 0.000 0.452 488 T N -2.000 112.540 114.554 -0.023 0.000 2.901 488 T HA 0.170 4.519 4.350 -0.002 0.000 0.293 488 T C 1.117 175.814 174.700 -0.005 0.000 1.084 488 T CA -0.778 61.312 62.100 -0.017 0.000 1.008 488 T CB 1.790 70.648 68.868 -0.017 0.000 1.170 488 T HN 0.447 nan 8.240 nan 0.000 0.509 489 S N 0.523 116.223 115.700 -0.001 0.000 2.481 489 S HA 0.107 4.576 4.470 -0.002 0.000 0.231 489 S C 1.940 176.549 174.600 0.014 0.000 0.996 489 S CA 0.341 58.545 58.200 0.006 0.000 0.942 489 S CB -0.615 62.589 63.200 0.007 0.000 0.768 489 S HN 1.073 nan 8.310 nan 0.000 0.520 490 A N 1.054 123.883 122.820 0.014 0.000 2.251 490 A HA 0.618 4.937 4.320 -0.002 0.000 0.209 490 A C 1.146 178.748 177.584 0.029 0.000 1.187 490 A CA 0.258 52.310 52.037 0.025 0.000 0.823 490 A CB -0.702 18.312 19.000 0.024 0.000 0.846 490 A HN 1.320 nan 8.150 nan 0.000 0.486 491 G N -0.812 107.999 108.800 0.019 0.000 2.440 491 G HA2 0.079 4.038 3.960 -0.002 0.000 0.684 491 G HA3 0.079 4.038 3.960 -0.002 0.000 0.684 491 G C -1.426 173.484 174.900 0.015 0.000 1.309 491 G CA -0.698 44.413 45.100 0.017 0.000 0.931 491 G HN 0.297 nan 8.290 nan 0.000 0.612 492 N N -0.332 118.377 118.700 0.014 0.000 2.443 492 N HA 0.895 5.634 4.740 -0.002 0.000 0.293 492 N C 0.172 175.721 175.510 0.065 0.000 1.159 492 N CA 0.400 53.466 53.050 0.027 0.000 0.904 492 N CB 1.913 40.409 38.487 0.015 0.000 1.214 492 N HN 1.395 nan 8.380 nan 0.000 0.513 493 A N -0.275 122.615 122.820 0.117 0.000 2.469 493 A HA 0.809 5.128 4.320 -0.002 0.000 0.299 493 A C -0.648 177.149 177.584 0.355 0.000 1.098 493 A CA -0.544 51.625 52.037 0.220 0.000 0.737 493 A CB 1.184 20.351 19.000 0.279 0.000 1.312 493 A HN 0.650 nan 8.150 nan 0.000 0.414 494 S N -0.058 115.815 115.700 0.288 0.000 2.607 494 S HA 0.905 5.374 4.470 -0.002 0.000 0.273 494 S C -0.580 173.944 174.600 -0.125 0.000 1.148 494 S CA 0.163 58.489 58.200 0.209 0.000 0.833 494 S CB 1.963 65.241 63.200 0.130 0.000 1.130 494 S HN 1.692 nan 8.310 nan 0.000 0.470 495 T N 0.437 114.851 114.554 -0.233 0.000 2.711 495 T HA 0.794 5.143 4.350 -0.002 0.000 0.302 495 T C -1.460 173.185 174.700 -0.091 0.000 1.373 495 T CA 0.106 62.016 62.100 -0.317 0.000 1.000 495 T CB 1.374 69.783 68.868 -0.764 0.000 1.483 495 T HN 1.500 nan 8.240 nan 0.000 0.499 496 T N 0.264 114.797 114.554 -0.035 0.000 2.896 496 T HA 0.857 5.206 4.350 -0.002 0.000 0.297 496 T C -1.092 173.697 174.700 0.149 0.000 1.108 496 T CA -0.808 61.309 62.100 0.028 0.000 1.004 496 T CB 1.481 70.327 68.868 -0.038 0.000 1.159 496 T HN 0.762 nan 8.240 nan 0.000 0.499 497 F N -1.505 118.440 119.950 -0.009 0.000 2.692 497 F HA 0.854 5.381 4.527 -0.001 0.000 0.320 497 F C -0.911 174.913 175.800 0.040 0.000 1.123 497 F CA -1.112 56.895 58.000 0.011 0.000 0.961 497 F CB 1.417 40.431 39.000 0.025 0.000 1.383 497 F HN 0.603 nan 8.300 nan 0.000 0.483 498 T N 1.626 116.239 114.554 0.098 0.000 2.807 498 T HA 0.599 4.948 4.350 -0.002 0.000 0.279 498 T C -1.187 173.614 174.700 0.168 0.000 0.993 498 T CA -0.558 61.563 62.100 0.036 0.000 0.970 498 T CB 1.730 70.631 68.868 0.054 0.000 0.950 498 T HN 0.555 nan 8.240 nan 0.000 0.441 499 V N 4.177 124.201 119.914 0.184 0.000 2.347 499 V HA 0.392 4.511 4.120 -0.002 0.000 0.280 499 V C 0.295 176.579 176.094 0.316 0.000 1.021 499 V CA -0.643 61.837 62.300 0.301 0.000 0.847 499 V CB 1.544 33.628 31.823 0.436 0.000 0.990 499 V HN 0.956 nan 8.190 nan 0.000 0.444 500 T N 4.981 119.665 114.554 0.216 0.000 2.767 500 T HA 0.541 4.890 4.350 -0.002 0.000 0.288 500 T C -0.247 174.549 174.700 0.160 0.000 0.963 500 T CA -0.302 61.907 62.100 0.182 0.000 1.019 500 T CB 1.392 70.323 68.868 0.104 0.000 0.923 500 T HN 0.335 nan 8.240 nan 0.000 0.468 501 V N 2.837 122.874 119.914 0.205 0.000 2.409 501 V HA 0.617 4.736 4.120 -0.002 0.000 0.291 501 V C 1.077 177.231 176.094 0.100 0.000 1.020 501 V CA -0.425 61.955 62.300 0.133 0.000 0.848 501 V CB 1.082 33.014 31.823 0.182 0.000 0.990 501 V HN 1.173 nan 8.190 nan 0.000 0.430 502 G N 4.763 113.587 108.800 0.040 0.000 2.258 502 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.274 502 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.274 502 G C -0.178 174.732 174.900 0.017 0.000 1.021 502 G CA 0.649 45.763 45.100 0.023 0.000 0.798 502 G HN 0.550 nan 8.290 nan 0.000 0.507 503 L N -0.705 120.528 121.223 0.017 0.000 2.333 503 L HA 0.604 4.943 4.340 -0.002 0.000 0.269 503 L C 1.049 177.896 176.870 -0.038 0.000 1.010 503 L CA -1.277 53.561 54.840 -0.003 0.000 0.818 503 L CB 1.615 43.682 42.059 0.013 0.000 1.306 503 L HN -0.036 nan 8.230 nan 0.000 0.430 504 L N 0.853 122.032 121.223 -0.073 0.000 2.464 504 L HA 0.133 4.472 4.340 -0.002 0.000 0.264 504 L C 0.208 177.020 176.870 -0.097 0.000 1.199 504 L CA -0.253 54.498 54.840 -0.148 0.000 0.818 504 L CB 0.530 42.454 42.059 -0.225 0.000 1.102 504 L HN 0.566 nan 8.230 nan 0.000 0.473 505 D N 1.462 121.796 120.400 -0.110 0.000 2.342 505 D HA 0.001 4.640 4.640 -0.002 0.000 0.260 505 D C 0.836 177.114 176.300 -0.037 0.000 1.278 505 D CA 0.336 54.306 54.000 -0.049 0.000 0.910 505 D CB 1.045 41.827 40.800 -0.031 0.000 1.079 505 D HN 0.424 nan 8.370 nan 0.000 0.496 506 Q N 2.532 122.321 119.800 -0.019 0.000 2.291 506 Q HA -0.107 4.232 4.340 -0.002 0.000 0.205 506 Q C 1.625 177.622 176.000 -0.004 0.000 0.970 506 Q CA 1.047 56.844 55.803 -0.010 0.000 0.876 506 Q CB 0.137 28.873 28.738 -0.003 0.000 0.935 506 Q HN 0.606 nan 8.270 nan 0.000 0.455 507 A N 0.555 123.374 122.820 -0.002 0.000 2.209 507 A HA -0.077 4.243 4.320 -0.002 0.000 0.212 507 A C 1.625 179.212 177.584 0.004 0.000 1.158 507 A CA 0.641 52.679 52.037 0.002 0.000 0.742 507 A CB -0.001 19.001 19.000 0.004 0.000 0.790 507 A HN 0.160 nan 8.150 nan 0.000 0.472 508 R N -1.547 118.955 120.500 0.003 0.000 2.397 508 R HA 0.350 4.689 4.340 -0.002 0.000 0.241 508 R C -0.007 176.298 176.300 0.007 0.000 0.914 508 R CA -0.105 56.002 56.100 0.012 0.000 1.071 508 R CB 0.202 30.519 30.300 0.027 0.000 1.116 508 R HN 0.460 nan 8.270 nan 0.000 0.524 509 M N 0.048 119.649 119.600 0.001 0.000 2.471 509 M HA 0.276 4.755 4.480 -0.002 0.000 0.309 509 M C -0.028 176.275 176.300 0.005 0.000 1.186 509 M CA -0.312 54.988 55.300 0.000 0.000 1.008 509 M CB 2.050 34.651 32.600 0.001 0.000 1.551 509 M HN -0.063 nan 8.290 nan 0.000 0.477 510 S N 0.245 115.952 115.700 0.011 0.000 2.615 510 S HA 0.593 5.062 4.470 -0.002 0.000 0.269 510 S C -1.015 173.601 174.600 0.027 0.000 1.161 510 S CA -1.105 57.105 58.200 0.016 0.000 0.817 510 S CB 1.031 64.243 63.200 0.022 0.000 1.131 510 S HN 0.491 nan 8.310 nan 0.000 0.467 511 I N 2.170 122.748 120.570 0.013 0.000 2.379 511 I HA 0.312 4.481 4.170 -0.002 0.000 0.290 511 I C 1.560 177.707 176.117 0.050 0.000 1.063 511 I CA -0.255 61.047 61.300 0.002 0.000 1.351 511 I CB 0.382 38.350 38.000 -0.053 0.000 1.410 511 I HN 1.006 nan 8.210 nan 0.000 0.505 512 A N 6.155 129.040 122.820 0.109 0.000 1.898 512 A HA -0.062 4.257 4.320 -0.002 0.000 0.216 512 A C 0.360 177.993 177.584 0.080 0.000 1.181 512 A CA 1.408 53.546 52.037 0.169 0.000 0.620 512 A CB -0.239 18.970 19.000 0.349 0.000 0.819 512 A HN 0.840 nan 8.150 nan 0.000 0.442 513 D N -4.580 115.830 120.400 0.017 0.000 2.683 513 D HA 0.458 5.097 4.640 -0.002 0.000 0.246 513 D C -1.172 175.061 176.300 -0.111 0.000 1.238 513 D CA -0.370 53.609 54.000 -0.034 0.000 0.759 513 D CB 1.415 42.199 40.800 -0.027 0.000 1.349 513 D HN 0.383 nan 8.370 nan 0.000 0.426 514 V N 1.253 121.106 119.914 -0.102 0.000 2.808 514 V HA 0.332 4.451 4.120 -0.002 0.000 0.308 514 V C 0.219 176.311 176.094 -0.003 0.000 1.099 514 V CA -0.420 61.797 62.300 -0.138 0.000 0.920 514 V CB 1.922 33.602 31.823 -0.238 0.000 1.014 514 V HN 0.834 nan 8.190 nan 0.000 0.425 515 D N 3.625 124.064 120.400 0.064 0.000 2.182 515 D HA -0.068 4.571 4.640 -0.002 0.000 0.201 515 D C 0.600 176.990 176.300 0.149 0.000 0.986 515 D CA 1.499 55.570 54.000 0.118 0.000 0.847 515 D CB 0.522 41.431 40.800 0.182 0.000 0.942 515 D HN 0.508 nan 8.370 nan 0.000 0.467 516 S N -0.855 114.973 115.700 0.213 0.000 2.579 516 S HA 0.365 4.834 4.470 -0.002 0.000 0.290 516 S C -2.175 172.616 174.600 0.319 0.000 1.123 516 S CA -0.776 57.550 58.200 0.209 0.000 0.894 516 S CB 1.362 64.667 63.200 0.174 0.000 1.095 516 S HN 0.438 nan 8.310 nan 0.000 0.450 517 E N 1.663 121.987 120.200 0.208 0.000 2.363 517 E HA 0.497 4.846 4.350 -0.002 0.000 0.281 517 E C -1.474 175.169 176.600 0.072 0.000 0.953 517 E CA -0.951 55.593 56.400 0.241 0.000 0.778 517 E CB 1.228 31.099 29.700 0.285 0.000 1.220 517 E HN 0.320 nan 8.360 nan 0.000 0.431 518 E N 1.317 121.529 120.200 0.020 0.000 2.229 518 E HA 0.270 4.619 4.350 -0.002 0.000 0.283 518 E C -0.033 176.501 176.600 -0.109 0.000 1.030 518 E CA 0.266 56.578 56.400 -0.148 0.000 0.836 518 E CB 1.254 30.784 29.700 -0.283 0.000 1.068 518 E HN 0.686 nan 8.360 nan 0.000 0.401 519 T N 0.585 115.048 114.554 -0.151 0.000 2.992 519 T HA 0.315 4.664 4.350 -0.002 0.000 0.255 519 T C 1.482 176.091 174.700 -0.151 0.000 0.938 519 T CA 0.279 62.310 62.100 -0.115 0.000 0.895 519 T CB 0.079 68.907 68.868 -0.068 0.000 1.221 519 T HN 0.273 nan 8.240 nan 0.000 0.512 520 A N 2.297 124.989 122.820 -0.214 0.000 1.854 520 A HA 0.161 4.480 4.320 -0.002 0.000 0.214 520 A C 2.422 179.872 177.584 -0.224 0.000 1.192 520 A CA 0.711 52.625 52.037 -0.205 0.000 0.611 520 A CB -0.276 18.589 19.000 -0.224 0.000 0.832 520 A HN 0.256 nan 8.150 nan 0.000 0.442 521 R N -0.119 120.169 120.500 -0.354 0.000 2.290 521 R HA 0.140 4.479 4.340 -0.002 0.000 0.197 521 R C -0.164 176.069 176.300 -0.112 0.000 0.913 521 R CA 0.899 56.827 56.100 -0.287 0.000 1.040 521 R CB 0.095 30.064 30.300 -0.552 0.000 0.992 521 R HN 0.903 nan 8.270 nan 0.000 0.500 522 E N -0.768 119.358 120.200 -0.123 0.000 2.429 522 E HA 0.095 4.444 4.350 -0.002 0.000 0.280 522 E C -1.669 174.880 176.600 -0.086 0.000 1.068 522 E CA -0.808 55.572 56.400 -0.033 0.000 0.837 522 E CB 0.739 30.501 29.700 0.104 0.000 1.357 522 E HN -0.289 nan 8.360 nan 0.000 0.455 523 D N 0.837 121.170 120.400 -0.111 0.000 2.483 523 D HA 0.265 4.904 4.640 -0.002 0.000 0.220 523 D C -0.077 176.103 176.300 -0.200 0.000 1.173 523 D CA 0.003 53.921 54.000 -0.136 0.000 0.964 523 D CB 0.448 41.163 40.800 -0.142 0.000 1.046 523 D HN 0.613 nan 8.370 nan 0.000 0.517 524 G N 3.289 112.039 108.800 -0.083 0.000 4.044 524 G HA2 0.062 4.021 3.960 -0.002 0.000 0.297 524 G HA3 0.062 4.021 3.960 -0.002 0.000 0.297 524 G C 0.558 175.555 174.900 0.163 0.000 1.101 524 G CA -0.536 44.583 45.100 0.031 0.000 0.884 524 G HN 0.291 nan 8.290 nan 0.000 0.538 525 R N 0.189 120.736 120.500 0.078 0.000 2.566 525 R HA 0.138 4.477 4.340 -0.002 0.000 0.273 525 R C 1.727 178.135 176.300 0.180 0.000 0.981 525 R CA 0.363 56.525 56.100 0.104 0.000 1.091 525 R CB 0.770 31.086 30.300 0.026 0.000 0.924 525 R HN 0.229 nan 8.270 nan 0.000 0.411 526 A N 2.369 125.255 122.820 0.110 0.000 1.948 526 A HA -0.231 4.088 4.320 -0.002 0.000 0.220 526 A C 2.092 179.640 177.584 -0.059 0.000 1.177 526 A CA 2.101 54.063 52.037 -0.126 0.000 0.636 526 A CB -0.560 18.220 19.000 -0.366 0.000 0.815 526 A HN 0.859 nan 8.150 nan 0.000 0.449 527 S N 0.321 116.008 115.700 -0.022 0.000 2.469 527 S HA -0.160 4.309 4.470 -0.002 0.000 0.238 527 S C 1.437 176.045 174.600 0.012 0.000 0.998 527 S CA 1.136 59.329 58.200 -0.011 0.000 0.957 527 S CB -0.677 62.517 63.200 -0.010 0.000 0.764 527 S HN 0.561 nan 8.310 nan 0.000 0.514 528 N N 2.138 120.860 118.700 0.035 0.000 2.334 528 N HA -0.082 4.657 4.740 -0.002 0.000 0.187 528 N C 1.756 177.310 175.510 0.073 0.000 1.016 528 N CA 1.383 54.460 53.050 0.044 0.000 0.879 528 N CB -0.701 37.811 38.487 0.041 0.000 0.965 528 N HN 0.700 nan 8.380 nan 0.000 0.438 529 V N -0.711 119.255 119.914 0.087 0.000 3.217 529 V HA 0.048 4.168 4.120 -0.002 0.000 0.264 529 V C 1.347 177.466 176.094 0.041 0.000 1.135 529 V CA 0.916 63.267 62.300 0.086 0.000 1.142 529 V CB -0.743 31.145 31.823 0.108 0.000 0.754 529 V HN 0.331 nan 8.190 nan 0.000 0.484 530 I N -1.197 119.387 120.570 0.023 0.000 3.833 530 I HA 0.430 4.599 4.170 -0.002 0.000 0.328 530 I C 1.054 177.175 176.117 0.007 0.000 1.554 530 I CA 0.233 61.540 61.300 0.012 0.000 1.116 530 I CB 0.207 38.211 38.000 0.006 0.000 1.182 530 I HN 0.227 nan 8.210 nan 0.000 0.459 531 D N 1.215 121.621 120.400 0.009 0.000 2.349 531 D HA 0.120 4.759 4.640 -0.002 0.000 0.214 531 D C 1.511 177.810 176.300 -0.001 0.000 1.063 531 D CA 0.543 54.544 54.000 0.001 0.000 0.847 531 D CB 0.350 41.148 40.800 -0.002 0.000 0.933 531 D HN 0.446 nan 8.370 nan 0.000 0.513 532 G N 0.547 109.348 108.800 0.002 0.000 2.136 532 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.242 532 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.242 532 G C -0.158 174.739 174.900 -0.004 0.000 0.989 532 G CA 0.047 45.145 45.100 -0.002 0.000 0.682 532 G HN 0.575 nan 8.290 nan 0.000 0.522 533 N N -0.014 118.688 118.700 0.003 0.000 2.577 533 N HA 0.475 5.214 4.740 -0.002 0.000 0.275 533 N C -1.233 174.297 175.510 0.034 0.000 1.091 533 N CA -1.985 51.071 53.050 0.009 0.000 0.843 533 N CB 2.091 40.576 38.487 -0.004 0.000 1.295 533 N HN -0.048 nan 8.380 nan 0.000 0.530 534 P HA -0.052 nan 4.420 nan 0.000 0.228 534 P C 0.376 177.733 177.300 0.095 0.000 1.151 534 P CA 0.825 63.949 63.100 0.039 0.000 0.770 534 P CB 0.130 31.834 31.700 0.006 0.000 0.786 535 S N -1.719 114.058 115.700 0.129 0.000 2.593 535 S HA 0.070 4.539 4.470 -0.002 0.000 0.217 535 S C 0.946 175.650 174.600 0.173 0.000 0.966 535 S CA -0.022 58.283 58.200 0.176 0.000 0.914 535 S CB -0.982 62.350 63.200 0.221 0.000 0.776 535 S HN 0.320 nan 8.310 nan 0.000 0.523 536 T N 0.374 115.006 114.554 0.129 0.000 2.893 536 T HA 0.765 5.114 4.350 -0.002 0.000 0.291 536 T C -0.820 173.960 174.700 0.133 0.000 1.028 536 T CA -1.039 61.076 62.100 0.026 0.000 0.995 536 T CB 1.570 70.412 68.868 -0.043 0.000 1.051 536 T HN 0.329 nan 8.240 nan 0.000 0.470 537 F N -0.865 119.131 119.950 0.077 0.000 2.619 537 F HA 0.740 5.266 4.527 -0.001 0.000 0.308 537 F C -1.090 174.823 175.800 0.189 0.000 1.097 537 F CA -2.071 55.992 58.000 0.105 0.000 0.953 537 F CB 0.788 39.820 39.000 0.053 0.000 1.287 537 F HN 0.857 nan 8.300 nan 0.000 0.446 538 W N 4.592 126.020 121.300 0.213 0.000 2.216 538 W HA 0.470 5.129 4.660 -0.002 0.000 0.326 538 W C -1.284 175.438 176.519 0.339 0.000 1.319 538 W CA 0.046 57.502 57.345 0.184 0.000 1.213 538 W CB 0.266 29.795 29.460 0.115 0.000 1.171 538 W HN 0.764 nan 8.180 nan 0.000 0.557 539 H N 4.209 123.216 119.070 -0.104 0.000 2.877 539 H HA 0.230 4.785 4.556 -0.001 0.000 0.347 539 H C -0.344 174.760 175.328 -0.373 0.000 1.042 539 H CA -0.204 55.675 56.048 -0.282 0.000 1.276 539 H CB 1.517 31.387 29.762 0.179 0.000 1.681 539 H HN 0.490 nan 8.280 nan 0.000 0.521 540 T N 1.237 115.580 114.554 -0.352 0.000 2.926 540 T HA 0.059 4.408 4.350 -0.002 0.000 0.307 540 T C 0.532 175.279 174.700 0.078 0.000 1.059 540 T CA -0.731 61.282 62.100 -0.145 0.000 1.122 540 T CB 0.906 69.455 68.868 -0.532 0.000 0.972 540 T HN 0.627 nan 8.240 nan 0.000 0.545 541 E N 2.051 122.282 120.200 0.051 0.000 2.708 541 E HA -0.085 4.264 4.350 -0.002 0.000 0.260 541 E C 0.366 176.968 176.600 0.003 0.000 0.937 541 E CA 0.200 56.584 56.400 -0.028 0.000 0.953 541 E CB 0.149 29.851 29.700 0.003 0.000 0.915 541 E HN 0.926 nan 8.360 nan 0.000 0.487 542 W N 3.087 124.228 121.300 -0.266 0.000 2.782 542 W HA 0.065 4.724 4.660 -0.002 0.000 0.268 542 W C 1.098 177.537 176.519 -0.132 0.000 1.043 542 W CA 0.370 57.498 57.345 -0.363 0.000 1.387 542 W CB -0.493 28.387 29.460 -0.967 0.000 0.904 542 W HN 0.476 nan 8.180 nan 0.000 0.625 543 S N 1.172 116.528 115.700 -0.573 0.000 2.561 543 S HA 0.204 4.673 4.470 -0.002 0.000 0.225 543 S C 0.629 175.135 174.600 -0.156 0.000 0.977 543 S CA 0.057 57.930 58.200 -0.544 0.000 0.926 543 S CB -0.268 62.367 63.200 -0.943 0.000 0.769 543 S HN 0.160 nan 8.310 nan 0.000 0.533 544 R N -0.008 120.450 120.500 -0.069 0.000 2.494 544 R HA 0.650 4.989 4.340 -0.002 0.000 0.305 544 R C 0.885 177.240 176.300 0.091 0.000 0.959 544 R CA 0.072 56.177 56.100 0.007 0.000 0.864 544 R CB 1.364 31.656 30.300 -0.013 0.000 1.159 544 R HN 0.199 nan 8.270 nan 0.000 0.446 545 A N 2.039 124.917 122.820 0.096 0.000 2.015 545 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 545 A C 1.222 178.869 177.584 0.105 0.000 1.163 545 A CA 1.697 53.805 52.037 0.119 0.000 0.646 545 A CB -0.270 18.785 19.000 0.091 0.000 0.806 545 A HN 0.845 nan 8.150 nan 0.000 0.448 546 D N 0.217 120.664 120.400 0.080 0.000 2.336 546 D HA 0.299 4.938 4.640 -0.002 0.000 0.229 546 D C 0.664 177.018 176.300 0.089 0.000 1.061 546 D CA 0.414 54.456 54.000 0.071 0.000 0.875 546 D CB -0.744 40.085 40.800 0.048 0.000 0.904 546 D HN 0.381 nan 8.370 nan 0.000 0.525 547 A N 1.760 124.654 122.820 0.123 0.000 2.531 547 A HA 0.316 4.635 4.320 -0.002 0.000 0.236 547 A C -1.985 175.704 177.584 0.174 0.000 1.062 547 A CA -0.827 51.306 52.037 0.160 0.000 0.760 547 A CB -0.232 18.911 19.000 0.238 0.000 0.995 547 A HN 0.187 nan 8.150 nan 0.000 0.501 548 P HA 0.250 nan 4.420 nan 0.000 0.275 548 P C 0.563 177.997 177.300 0.223 0.000 1.227 548 P CA 0.278 63.477 63.100 0.164 0.000 0.781 548 P CB 0.958 32.751 31.700 0.154 0.000 0.906 549 G N 1.655 110.517 108.800 0.105 0.000 2.504 549 G HA2 0.246 4.205 3.960 -0.002 0.000 0.257 549 G HA3 0.246 4.205 3.960 -0.002 0.000 0.257 549 G C -0.673 174.061 174.900 -0.277 0.000 1.451 549 G CA -0.574 44.550 45.100 0.041 0.000 1.059 549 G HN 0.367 nan 8.290 nan 0.000 0.550 550 Y N 1.260 121.344 120.300 -0.359 0.000 2.426 550 Y HA 0.275 4.824 4.550 -0.001 0.000 0.344 550 Y C -1.005 174.743 175.900 -0.254 0.000 1.256 550 Y CA -0.839 56.965 58.100 -0.493 0.000 1.451 550 Y CB 0.343 38.644 38.460 -0.265 0.000 1.342 550 Y HN 0.262 nan 8.280 nan 0.000 0.600 551 P HA 0.175 nan 4.420 nan 0.000 0.277 551 P C -1.126 176.014 177.300 -0.266 0.000 1.240 551 P CA -0.151 62.926 63.100 -0.039 0.000 0.798 551 P CB 1.076 32.809 31.700 0.056 0.000 0.979 552 H N 1.093 120.166 119.070 0.006 0.000 2.595 552 H HA 0.602 5.157 4.556 -0.001 0.000 0.346 552 H C 0.197 175.634 175.328 0.183 0.000 1.181 552 H CA -0.354 55.721 56.048 0.045 0.000 1.242 552 H CB 2.024 31.733 29.762 -0.088 0.000 1.652 552 H HN 0.440 nan 8.280 nan 0.000 0.548 553 R N 1.129 121.842 120.500 0.356 0.000 2.566 553 R HA 0.488 4.827 4.340 -0.002 0.000 0.271 553 R C -1.863 174.423 176.300 -0.024 0.000 1.071 553 R CA -0.572 55.614 56.100 0.143 0.000 0.915 553 R CB 2.123 32.428 30.300 0.007 0.000 1.228 553 R HN 0.690 nan 8.270 nan 0.000 0.449 554 I N 2.326 122.804 120.570 -0.152 0.000 2.644 554 I HA 0.424 4.593 4.170 -0.002 0.000 0.291 554 I C -1.533 174.472 176.117 -0.186 0.000 1.180 554 I CA -0.300 60.780 61.300 -0.367 0.000 1.040 554 I CB 2.452 39.945 38.000 -0.845 0.000 1.255 554 I HN 0.662 nan 8.210 nan 0.000 0.422 555 S N 7.411 123.026 115.700 -0.142 0.000 2.526 555 S HA 0.701 5.170 4.470 -0.002 0.000 0.293 555 S C -1.205 173.450 174.600 0.092 0.000 1.092 555 S CA -0.677 57.519 58.200 -0.007 0.000 0.980 555 S CB 2.003 65.182 63.200 -0.036 0.000 1.048 555 S HN 0.361 nan 8.310 nan 0.000 0.483 556 L N 2.643 123.979 121.223 0.189 0.000 2.322 556 L HA 0.499 4.838 4.340 -0.002 0.000 0.281 556 L C -0.096 176.907 176.870 0.222 0.000 1.014 556 L CA -0.523 54.411 54.840 0.157 0.000 0.815 556 L CB 1.321 43.442 42.059 0.103 0.000 1.247 556 L HN 0.676 nan 8.230 nan 0.000 0.421 557 D N 2.806 123.291 120.400 0.142 0.000 2.277 557 D HA 0.175 4.814 4.640 -0.002 0.000 0.249 557 D C 0.839 177.084 176.300 -0.092 0.000 1.134 557 D CA -0.074 53.896 54.000 -0.050 0.000 0.863 557 D CB 1.189 42.008 40.800 0.031 0.000 1.143 557 D HN 0.454 nan 8.370 nan 0.000 0.458 558 L N 2.931 124.051 121.223 -0.171 0.000 2.492 558 L HA 0.177 4.516 4.340 -0.002 0.000 0.223 558 L C 1.782 178.653 176.870 0.001 0.000 1.132 558 L CA 0.493 55.310 54.840 -0.039 0.000 0.850 558 L CB -0.115 41.966 42.059 0.037 0.000 0.966 558 L HN 0.768 nan 8.230 nan 0.000 0.454 559 G N -0.279 108.478 108.800 -0.071 0.000 2.175 559 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.244 559 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.244 559 G C 0.418 175.300 174.900 -0.029 0.000 0.982 559 G CA -0.159 44.924 45.100 -0.028 0.000 0.641 559 G HN 0.773 nan 8.290 nan 0.000 0.527 560 G N -2.378 106.381 108.800 -0.069 0.000 2.336 560 G HA2 0.552 4.511 3.960 -0.002 0.000 0.300 560 G HA3 0.552 4.511 3.960 -0.002 0.000 0.300 560 G C -0.636 174.160 174.900 -0.173 0.000 1.375 560 G CA 0.359 45.383 45.100 -0.126 0.000 0.885 560 G HN 0.944 nan 8.290 nan 0.000 0.599 561 T N 1.195 115.606 114.554 -0.239 0.000 2.794 561 T HA 0.602 4.951 4.350 -0.002 0.000 0.296 561 T C -0.337 174.142 174.700 -0.368 0.000 0.949 561 T CA 0.503 62.488 62.100 -0.191 0.000 1.101 561 T CB 0.381 69.181 68.868 -0.113 0.000 0.905 561 T HN 0.526 nan 8.240 nan 0.000 0.516 562 H N 0.075 119.146 119.070 0.002 0.000 2.928 562 H HA 0.398 4.953 4.556 -0.002 0.000 0.371 562 H C -0.125 175.225 175.328 0.037 0.000 1.186 562 H CA -0.759 55.299 56.048 0.016 0.000 1.134 562 H CB 1.255 31.026 29.762 0.016 0.000 1.824 562 H HN 0.429 nan 8.280 nan 0.000 0.554 563 T N 3.581 118.235 114.554 0.166 0.000 2.769 563 T HA 0.350 4.699 4.350 -0.002 0.000 0.293 563 T C 0.262 175.033 174.700 0.119 0.000 0.931 563 T CA -0.174 61.998 62.100 0.120 0.000 1.139 563 T CB -0.707 68.207 68.868 0.078 0.000 0.881 563 T HN 0.417 nan 8.240 nan 0.000 0.532 564 I N 0.038 120.687 120.570 0.131 0.000 2.785 564 I HA 0.747 4.916 4.170 -0.002 0.000 0.302 564 I C 0.328 176.446 176.117 0.002 0.000 1.069 564 I CA -0.987 60.374 61.300 0.101 0.000 1.045 564 I CB 2.576 40.698 38.000 0.203 0.000 1.236 564 I HN 0.510 nan 8.210 nan 0.000 0.429 565 S N 1.528 117.053 115.700 -0.291 0.000 2.993 565 S HA 0.704 5.173 4.470 -0.002 0.000 0.257 565 S C 0.145 174.064 174.600 -1.135 0.000 0.997 565 S CA 0.031 57.798 58.200 -0.722 0.000 1.191 565 S CB 0.266 63.279 63.200 -0.311 0.000 1.143 565 S HN 1.513 nan 8.310 nan 0.000 0.655 566 G N 0.655 108.926 108.800 -0.881 0.000 2.356 566 G HA2 0.507 4.466 3.960 -0.002 0.000 0.294 566 G HA3 0.507 4.466 3.960 -0.002 0.000 0.294 566 G C -2.604 172.310 174.900 0.023 0.000 1.423 566 G CA -0.662 44.167 45.100 -0.450 0.000 0.806 566 G HN 0.586 nan 8.290 nan 0.000 0.527 567 L N -0.212 121.114 121.223 0.171 0.000 2.408 567 L HA 0.667 5.006 4.340 -0.002 0.000 0.268 567 L C -0.497 176.466 176.870 0.155 0.000 0.986 567 L CA -0.494 54.464 54.840 0.196 0.000 0.820 567 L CB 2.163 44.391 42.059 0.281 0.000 1.303 567 L HN 0.604 nan 8.230 nan 0.000 0.411 568 Q N 4.099 123.962 119.800 0.105 0.000 2.325 568 Q HA 0.293 4.632 4.340 -0.002 0.000 0.262 568 Q C -1.724 174.302 176.000 0.043 0.000 0.968 568 Q CA -0.557 55.285 55.803 0.065 0.000 0.877 568 Q CB 2.317 31.064 28.738 0.016 0.000 1.253 568 Q HN 0.620 nan 8.270 nan 0.000 0.448 569 Y N 1.401 121.582 120.300 -0.198 0.000 2.335 569 Y HA 0.392 4.941 4.550 -0.001 0.000 0.338 569 Y C -1.024 174.678 175.900 -0.330 0.000 0.977 569 Y CA -0.343 57.530 58.100 -0.379 0.000 1.114 569 Y CB 1.638 39.515 38.460 -0.972 0.000 1.182 569 Y HN 0.419 nan 8.280 nan 0.000 0.463 570 T N 7.308 121.352 114.554 -0.849 0.000 2.809 570 T HA 0.385 4.734 4.350 -0.002 0.000 0.284 570 T C -0.553 173.572 174.700 -0.958 0.000 0.992 570 T CA -0.937 60.706 62.100 -0.761 0.000 0.957 570 T CB 0.533 69.194 68.868 -0.345 0.000 0.942 570 T HN 0.789 nan 8.240 nan 0.000 0.439 571 R N 2.254 122.168 120.500 -0.977 0.000 2.679 571 R HA 0.382 4.721 4.340 -0.002 0.000 0.269 571 R C 0.366 176.487 176.300 -0.298 0.000 1.076 571 R CA -0.897 54.864 56.100 -0.566 0.000 1.160 571 R CB 0.930 31.063 30.300 -0.277 0.000 1.054 571 R HN 0.499 nan 8.270 nan 0.000 0.507 572 R N 0.871 121.229 120.500 -0.235 0.000 2.585 572 R HA -0.102 4.238 4.340 -0.002 0.000 0.275 572 R C 0.228 176.390 176.300 -0.230 0.000 1.018 572 R CA 0.328 56.263 56.100 -0.276 0.000 1.072 572 R CB 0.631 30.625 30.300 -0.509 0.000 0.953 572 R HN 0.743 nan 8.270 nan 0.000 0.419 573 Q N 1.913 121.606 119.800 -0.179 0.000 2.391 573 Q HA -0.038 4.301 4.340 -0.002 0.000 0.211 573 Q C 0.463 176.391 176.000 -0.120 0.000 0.908 573 Q CA 0.626 56.353 55.803 -0.126 0.000 0.920 573 Q CB 0.337 29.031 28.738 -0.074 0.000 1.056 573 Q HN 0.720 nan 8.270 nan 0.000 0.523 574 N N -0.502 118.111 118.700 -0.146 0.000 2.204 574 N HA 0.068 4.807 4.740 -0.002 0.000 0.219 574 N C -0.521 174.898 175.510 -0.152 0.000 1.151 574 N CA -0.118 52.863 53.050 -0.115 0.000 0.867 574 N CB 0.905 39.362 38.487 -0.048 0.000 1.043 574 N HN -0.129 nan 8.380 nan 0.000 0.516 575 S N -1.531 114.048 115.700 -0.203 0.000 2.543 575 S HA 0.694 5.163 4.470 -0.002 0.000 0.274 575 S C -1.172 173.313 174.600 -0.192 0.000 1.149 575 S CA -0.160 57.920 58.200 -0.200 0.000 0.866 575 S CB 1.028 64.083 63.200 -0.242 0.000 1.111 575 S HN 0.282 nan 8.310 nan 0.000 0.457 576 A N 2.844 125.566 122.820 -0.164 0.000 2.508 576 A HA 0.395 4.714 4.320 -0.002 0.000 0.250 576 A C 0.586 178.077 177.584 -0.154 0.000 1.208 576 A CA -0.129 51.826 52.037 -0.136 0.000 0.960 576 A CB -0.068 18.870 19.000 -0.104 0.000 1.099 576 A HN 0.613 nan 8.150 nan 0.000 0.542 577 N N 0.648 119.223 118.700 -0.209 0.000 2.238 577 N HA 0.151 4.890 4.740 -0.002 0.000 0.222 577 N C -0.563 174.855 175.510 -0.155 0.000 1.133 577 N CA 0.377 53.246 53.050 -0.303 0.000 0.854 577 N CB 0.649 38.811 38.487 -0.541 0.000 1.041 577 N HN 0.435 nan 8.380 nan 0.000 0.510 578 E N -0.235 119.898 120.200 -0.112 0.000 3.385 578 E HA 0.186 4.535 4.350 -0.002 0.000 0.206 578 E C -0.646 175.945 176.600 -0.016 0.000 0.997 578 E CA -0.175 56.189 56.400 -0.061 0.000 1.278 578 E CB 0.387 29.925 29.700 -0.268 0.000 1.165 578 E HN 0.152 nan 8.360 nan 0.000 0.452 579 Q N 0.954 120.776 119.800 0.036 0.000 2.322 579 Q HA 0.296 4.635 4.340 -0.002 0.000 0.256 579 Q C -0.141 175.958 176.000 0.165 0.000 0.960 579 Q CA -0.692 55.175 55.803 0.106 0.000 0.934 579 Q CB 1.792 30.578 28.738 0.081 0.000 1.200 579 Q HN 0.084 nan 8.270 nan 0.000 0.435 580 V N 2.478 122.531 119.914 0.231 0.000 2.644 580 V HA -0.080 4.039 4.120 -0.002 0.000 0.305 580 V C 0.708 176.924 176.094 0.202 0.000 1.053 580 V CA 0.957 63.391 62.300 0.225 0.000 1.186 580 V CB 0.213 32.134 31.823 0.164 0.000 0.895 580 V HN 1.003 nan 8.190 nan 0.000 0.490 581 A N 4.235 127.131 122.820 0.126 0.000 2.538 581 A HA 0.333 4.652 4.320 -0.002 0.000 0.214 581 A C 0.490 178.123 177.584 0.082 0.000 2.355 581 A CA -0.153 51.941 52.037 0.096 0.000 1.493 581 A CB -0.298 18.700 19.000 -0.003 0.000 1.143 581 A HN 0.680 nan 8.150 nan 0.000 0.452 582 D N 0.326 120.718 120.400 -0.014 0.000 2.455 582 D HA 0.446 5.085 4.640 -0.002 0.000 0.241 582 D C -0.709 175.600 176.300 0.016 0.000 1.138 582 D CA 1.034 54.985 54.000 -0.082 0.000 0.877 582 D CB 0.271 41.006 40.800 -0.108 0.000 1.187 582 D HN 0.416 nan 8.370 nan 0.000 0.451 583 Y N -1.645 118.545 120.300 -0.183 0.000 2.597 583 Y HA 0.664 5.214 4.550 -0.001 0.000 0.340 583 Y C -0.946 174.880 175.900 -0.123 0.000 1.097 583 Y CA -1.164 56.858 58.100 -0.130 0.000 1.037 583 Y CB 1.373 39.698 38.460 -0.225 0.000 1.305 583 Y HN 0.166 nan 8.280 nan 0.000 0.463 584 E N 2.496 122.749 120.200 0.088 0.000 2.292 584 E HA 0.622 4.971 4.350 -0.002 0.000 0.272 584 E C -1.590 175.050 176.600 0.066 0.000 0.881 584 E CA -0.782 55.587 56.400 -0.052 0.000 0.754 584 E CB 3.012 32.688 29.700 -0.040 0.000 1.201 584 E HN 0.661 nan 8.360 nan 0.000 0.425 585 I N 2.806 123.312 120.570 -0.107 0.000 2.474 585 I HA 0.398 4.567 4.170 -0.002 0.000 0.294 585 I C -1.047 174.865 176.117 -0.342 0.000 1.005 585 I CA -0.615 60.672 61.300 -0.021 0.000 1.113 585 I CB 0.942 38.998 38.000 0.094 0.000 1.289 585 I HN 0.470 nan 8.210 nan 0.000 0.436 586 Y N 2.454 122.778 120.300 0.040 0.000 2.562 586 Y HA 0.667 5.216 4.550 -0.001 0.000 0.343 586 Y C 0.452 176.481 175.900 0.215 0.000 1.025 586 Y CA -0.843 57.321 58.100 0.107 0.000 1.082 586 Y CB 2.232 40.816 38.460 0.207 0.000 1.264 586 Y HN 0.514 nan 8.280 nan 0.000 0.478 587 T N -1.848 112.921 114.554 0.358 0.000 2.916 587 T HA 0.787 5.136 4.350 -0.002 0.000 0.292 587 T C -0.780 174.026 174.700 0.175 0.000 1.064 587 T CA -0.868 61.406 62.100 0.290 0.000 1.011 587 T CB 1.871 70.794 68.868 0.093 0.000 1.152 587 T HN 0.608 nan 8.240 nan 0.000 0.510 588 S N -0.174 115.519 115.700 -0.012 0.000 2.537 588 S HA 0.519 4.988 4.470 -0.002 0.000 0.270 588 S C 0.063 174.620 174.600 -0.072 0.000 1.142 588 S CA -0.835 57.186 58.200 -0.297 0.000 0.870 588 S CB 1.382 63.885 63.200 -1.162 0.000 1.112 588 S HN 0.733 nan 8.310 nan 0.000 0.466 589 L N 2.889 124.055 121.223 -0.095 0.000 2.298 589 L HA 0.200 4.539 4.340 -0.002 0.000 0.209 589 L C 1.851 178.746 176.870 0.041 0.000 1.084 589 L CA 0.667 55.510 54.840 0.005 0.000 0.816 589 L CB -0.139 41.910 42.059 -0.016 0.000 0.967 589 L HN 0.821 nan 8.230 nan 0.000 0.460 590 N N -1.109 117.507 118.700 -0.140 0.000 2.227 590 N HA 0.099 4.838 4.740 -0.002 0.000 0.196 590 N C 1.300 176.564 175.510 -0.409 0.000 1.142 590 N CA 0.791 53.755 53.050 -0.144 0.000 0.887 590 N CB 0.666 39.070 38.487 -0.138 0.000 1.022 590 N HN 0.114 nan 8.380 nan 0.000 0.500 591 G N -0.542 107.703 108.800 -0.925 0.000 2.176 591 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.253 591 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.253 591 G C 0.849 175.304 174.900 -0.743 0.000 0.979 591 G CA 1.182 45.430 45.100 -1.421 0.000 0.641 591 G HN 0.693 nan 8.290 nan 0.000 0.530 592 T N -3.738 110.467 114.554 -0.581 0.000 3.028 592 T HA 0.337 4.686 4.350 -0.002 0.000 0.250 592 T C 0.897 175.443 174.700 -0.256 0.000 0.979 592 T CA 1.217 63.170 62.100 -0.245 0.000 1.004 592 T CB 0.504 69.291 68.868 -0.136 0.000 1.120 592 T HN 0.414 nan 8.240 nan 0.000 0.482 593 T N 2.840 117.162 114.554 -0.386 0.000 2.727 593 T HA 0.417 4.766 4.350 -0.002 0.000 0.298 593 T C -1.339 173.112 174.700 -0.416 0.000 0.942 593 T CA -0.480 61.470 62.100 -0.249 0.000 0.997 593 T CB -0.000 68.774 68.868 -0.156 0.000 0.917 593 T HN 0.352 nan 8.240 nan 0.000 0.487 594 W N 2.718 123.991 121.300 -0.044 0.000 2.349 594 W HA 0.375 5.034 4.660 -0.002 0.000 0.309 594 W C -0.148 176.423 176.519 0.087 0.000 1.083 594 W CA -0.884 56.458 57.345 -0.007 0.000 1.224 594 W CB 0.786 30.174 29.460 -0.120 0.000 1.256 594 W HN 0.487 nan 8.180 nan 0.000 0.461 595 D N 2.355 122.937 120.400 0.304 0.000 2.198 595 D HA 0.625 5.264 4.640 -0.002 0.000 0.245 595 D C 0.629 177.082 176.300 0.255 0.000 1.079 595 D CA 0.259 54.385 54.000 0.210 0.000 0.854 595 D CB 1.814 42.666 40.800 0.086 0.000 1.148 595 D HN 0.608 nan 8.370 nan 0.000 0.456 596 G N 2.066 110.969 108.800 0.172 0.000 2.302 596 G HA2 0.005 3.964 3.960 -0.002 0.000 0.276 596 G HA3 0.005 3.964 3.960 -0.002 0.000 0.276 596 G C -2.793 172.095 174.900 -0.020 0.000 1.316 596 G CA -1.078 44.001 45.100 -0.036 0.000 0.988 596 G HN 0.375 nan 8.290 nan 0.000 0.479 597 P HA 0.303 nan 4.420 nan 0.000 0.264 597 P C 1.201 178.298 177.300 -0.339 0.000 1.183 597 P CA 0.457 63.192 63.100 -0.609 0.000 0.763 597 P CB 1.119 32.544 31.700 -0.459 0.000 0.807 598 V N 0.297 119.982 119.914 -0.382 0.000 2.992 598 V HA 0.488 4.607 4.120 -0.002 0.000 0.250 598 V C 0.578 176.566 176.094 -0.177 0.000 1.090 598 V CA 1.064 63.183 62.300 -0.301 0.000 1.101 598 V CB -0.648 30.843 31.823 -0.553 0.000 0.743 598 V HN 0.562 nan 8.190 nan 0.000 0.468 599 A N 0.225 122.953 122.820 -0.155 0.000 2.556 599 A HA 0.921 5.240 4.320 -0.002 0.000 0.294 599 A C -0.378 177.143 177.584 -0.105 0.000 1.091 599 A CA 0.166 52.209 52.037 0.012 0.000 0.704 599 A CB 1.818 20.978 19.000 0.266 0.000 1.300 599 A HN 1.284 nan 8.150 nan 0.000 0.406 600 S N -0.777 114.794 115.700 -0.215 0.000 2.615 600 S HA 0.963 5.432 4.470 -0.002 0.000 0.269 600 S C -0.147 173.944 174.600 -0.847 0.000 1.161 600 S CA 0.152 58.008 58.200 -0.574 0.000 0.817 600 S CB 1.076 64.045 63.200 -0.385 0.000 1.131 600 S HN 2.737 nan 8.310 nan 0.000 0.467 601 G N 0.419 108.442 108.800 -1.295 0.000 2.404 601 G HA2 0.492 4.451 3.960 -0.002 0.000 0.253 601 G HA3 0.492 4.451 3.960 -0.002 0.000 0.253 601 G C -1.919 172.489 174.900 -0.821 0.000 1.253 601 G CA -0.639 43.933 45.100 -0.881 0.000 0.917 601 G HN 0.888 nan 8.290 nan 0.000 0.480 602 R N -0.277 120.011 120.500 -0.353 0.000 2.515 602 R HA 0.601 4.940 4.340 -0.002 0.000 0.291 602 R C -1.121 175.195 176.300 0.027 0.000 1.046 602 R CA -0.664 55.354 56.100 -0.137 0.000 0.914 602 R CB 0.802 31.047 30.300 -0.091 0.000 1.191 602 R HN 0.286 nan 8.270 nan 0.000 0.435 603 F N 1.294 121.376 119.950 0.221 0.000 2.440 603 F HA 0.215 4.741 4.527 -0.001 0.000 0.323 603 F C 1.624 177.482 175.800 0.097 0.000 1.192 603 F CA 0.299 58.369 58.000 0.115 0.000 1.252 603 F CB 0.868 39.825 39.000 -0.072 0.000 1.214 603 F HN 0.538 nan 8.300 nan 0.000 0.578 604 T N -3.321 111.441 114.554 0.347 0.000 2.892 604 T HA 0.333 4.682 4.350 -0.002 0.000 0.280 604 T C 0.841 175.655 174.700 0.190 0.000 1.004 604 T CA 0.075 62.297 62.100 0.204 0.000 0.950 604 T CB 1.128 70.082 68.868 0.144 0.000 1.309 604 T HN 0.657 nan 8.240 nan 0.000 0.592 605 T N -1.987 112.634 114.554 0.112 0.000 3.107 605 T HA 0.235 4.584 4.350 -0.002 0.000 0.249 605 T C 0.993 175.715 174.700 0.037 0.000 1.096 605 T CA -0.008 62.135 62.100 0.072 0.000 1.012 605 T CB -0.473 68.419 68.868 0.041 0.000 0.977 605 T HN 0.625 nan 8.240 nan 0.000 0.527 606 S N 0.728 116.456 115.700 0.046 0.000 2.573 606 S HA 0.095 4.564 4.470 -0.002 0.000 0.297 606 S C 1.159 175.739 174.600 -0.034 0.000 1.280 606 S CA -0.373 57.833 58.200 0.010 0.000 1.061 606 S CB -0.085 63.131 63.200 0.027 0.000 0.812 606 S HN 0.508 nan 8.310 nan 0.000 0.500 607 L N 3.749 124.937 121.223 -0.059 0.000 2.395 607 L HA 0.167 4.506 4.340 -0.002 0.000 0.218 607 L C 1.426 178.224 176.870 -0.119 0.000 1.130 607 L CA 0.444 55.226 54.840 -0.097 0.000 0.826 607 L CB -0.569 41.439 42.059 -0.084 0.000 0.941 607 L HN 0.705 nan 8.230 nan 0.000 0.451 608 A N 0.073 122.837 122.820 -0.093 0.000 2.351 608 A HA 0.447 4.766 4.320 -0.002 0.000 0.257 608 A C -2.224 175.288 177.584 -0.121 0.000 1.087 608 A CA -1.263 50.716 52.037 -0.097 0.000 0.798 608 A CB -0.305 18.656 19.000 -0.064 0.000 1.033 608 A HN -0.091 nan 8.150 nan 0.000 0.488 609 P HA 0.114 nan 4.420 nan 0.000 0.266 609 P C -0.896 176.370 177.300 -0.056 0.000 1.195 609 P CA 0.481 63.501 63.100 -0.134 0.000 0.768 609 P CB 0.302 31.935 31.700 -0.111 0.000 0.838 610 Q N 2.502 122.288 119.800 -0.022 0.000 2.331 610 Q HA 0.405 4.744 4.340 -0.002 0.000 0.267 610 Q C -0.220 175.889 176.000 0.182 0.000 1.006 610 Q CA -0.711 55.164 55.803 0.121 0.000 0.818 610 Q CB 2.219 31.108 28.738 0.252 0.000 1.276 610 Q HN 0.318 nan 8.270 nan 0.000 0.450 611 R N 0.998 121.605 120.500 0.177 0.000 2.357 611 R HA 0.581 4.920 4.340 -0.002 0.000 0.296 611 R C -0.661 175.777 176.300 0.231 0.000 1.052 611 R CA -0.275 55.924 56.100 0.166 0.000 0.988 611 R CB 0.960 31.323 30.300 0.105 0.000 1.025 611 R HN 0.548 nan 8.270 nan 0.000 0.469 612 A N 3.158 126.119 122.820 0.235 0.000 2.310 612 A HA 0.464 4.783 4.320 -0.002 0.000 0.304 612 A C -0.290 177.437 177.584 0.239 0.000 1.231 612 A CA -0.727 51.476 52.037 0.276 0.000 0.799 612 A CB 0.936 20.125 19.000 0.313 0.000 1.162 612 A HN 0.552 nan 8.150 nan 0.000 0.486 613 V N 0.625 120.643 119.914 0.174 0.000 2.881 613 V HA 1.033 5.152 4.120 -0.002 0.000 0.316 613 V C -0.696 175.482 176.094 0.140 0.000 1.070 613 V CA -1.044 61.264 62.300 0.013 0.000 0.976 613 V CB 1.103 32.906 31.823 -0.032 0.000 1.038 613 V HN 1.209 nan 8.190 nan 0.000 0.446 614 F N 0.285 120.273 119.950 0.063 0.000 2.678 614 F HA 0.922 5.448 4.527 -0.002 0.000 0.308 614 F C -3.094 172.734 175.800 0.046 0.000 1.118 614 F CA -2.596 55.433 58.000 0.049 0.000 0.959 614 F CB 0.721 39.751 39.000 0.050 0.000 1.305 614 F HN 0.387 nan 8.300 nan 0.000 0.443 615 P HA 0.240 nan 4.420 nan 0.000 0.266 615 P C -0.460 176.942 177.300 0.170 0.000 1.195 615 P CA -0.018 63.157 63.100 0.125 0.000 0.768 615 P CB 0.609 32.379 31.700 0.116 0.000 0.838 616 A N 4.229 127.094 122.820 0.075 0.000 2.477 616 A HA 0.414 4.733 4.320 -0.002 0.000 0.246 616 A C 0.624 178.288 177.584 0.134 0.000 1.078 616 A CA 0.037 52.123 52.037 0.081 0.000 0.770 616 A CB -0.098 18.917 19.000 0.026 0.000 1.011 616 A HN 0.613 nan 8.150 nan 0.000 0.494 617 R N 1.899 122.506 120.500 0.179 0.000 2.764 617 R HA 0.474 4.813 4.340 -0.002 0.000 0.270 617 R C -1.847 174.537 176.300 0.139 0.000 1.014 617 R CA -0.924 55.265 56.100 0.149 0.000 0.904 617 R CB 0.504 30.902 30.300 0.164 0.000 1.236 617 R HN 0.495 nan 8.270 nan 0.000 0.466 618 D N 0.326 120.785 120.400 0.097 0.000 2.362 618 D HA 0.611 5.250 4.640 -0.002 0.000 0.242 618 D C -0.348 176.010 176.300 0.097 0.000 1.132 618 D CA 0.466 54.517 54.000 0.085 0.000 0.907 618 D CB 1.347 42.174 40.800 0.045 0.000 1.195 618 D HN 0.722 nan 8.370 nan 0.000 0.429 619 A N 1.325 124.205 122.820 0.099 0.000 2.583 619 A HA 0.462 4.781 4.320 -0.002 0.000 0.292 619 A C 0.116 177.742 177.584 0.071 0.000 1.045 619 A CA -0.685 51.410 52.037 0.097 0.000 0.672 619 A CB 1.251 20.338 19.000 0.144 0.000 1.283 619 A HN 0.488 nan 8.150 nan 0.000 0.419 620 R N -0.854 119.671 120.500 0.042 0.000 2.373 620 R HA 0.389 4.728 4.340 -0.002 0.000 0.221 620 R C -1.022 175.070 176.300 -0.347 0.000 0.893 620 R CA 0.491 56.502 56.100 -0.150 0.000 1.049 620 R CB 0.331 30.477 30.300 -0.257 0.000 1.119 620 R HN 0.711 nan 8.270 nan 0.000 0.535 621 Y N -0.634 119.695 120.300 0.048 0.000 2.588 621 Y HA 0.510 5.059 4.550 -0.002 0.000 0.343 621 Y C -0.792 175.260 175.900 0.253 0.000 1.065 621 Y CA -1.177 57.003 58.100 0.133 0.000 1.038 621 Y CB 2.148 40.654 38.460 0.077 0.000 1.297 621 Y HN -0.165 nan 8.280 nan 0.000 0.467 622 I N 1.811 122.703 120.570 0.536 0.000 2.722 622 I HA 0.569 4.738 4.170 -0.002 0.000 0.295 622 I C -1.520 174.840 176.117 0.406 0.000 1.161 622 I CA -0.781 60.801 61.300 0.470 0.000 1.032 622 I CB 2.031 40.222 38.000 0.318 0.000 1.244 622 I HN 0.789 nan 8.210 nan 0.000 0.421 623 R N 6.734 127.421 120.500 0.312 0.000 2.575 623 R HA 0.587 4.926 4.340 -0.002 0.000 0.293 623 R C -2.217 174.174 176.300 0.152 0.000 0.983 623 R CA -0.712 55.420 56.100 0.053 0.000 0.887 623 R CB 1.876 31.915 30.300 -0.435 0.000 1.184 623 R HN 0.574 nan 8.270 nan 0.000 0.445 624 L N 5.236 126.530 121.223 0.118 0.000 2.287 624 L HA 0.442 4.781 4.340 -0.002 0.000 0.287 624 L C -1.420 175.563 176.870 0.188 0.000 1.022 624 L CA -0.420 54.538 54.840 0.197 0.000 0.814 624 L CB 1.877 44.063 42.059 0.211 0.000 1.217 624 L HN 0.418 nan 8.230 nan 0.000 0.420 625 V N 5.640 125.703 119.914 0.249 0.000 2.350 625 V HA 0.629 4.748 4.120 -0.002 0.000 0.276 625 V C 0.520 176.788 176.094 0.290 0.000 1.028 625 V CA -0.460 61.978 62.300 0.230 0.000 0.860 625 V CB 1.076 33.031 31.823 0.220 0.000 0.990 625 V HN 0.956 nan 8.190 nan 0.000 0.453 626 A N 5.696 128.722 122.820 0.343 0.000 2.310 626 A HA 0.575 4.894 4.320 -0.002 0.000 0.300 626 A C 0.755 178.597 177.584 0.429 0.000 1.269 626 A CA -0.247 52.043 52.037 0.421 0.000 0.909 626 A CB 0.120 19.449 19.000 0.547 0.000 1.144 626 A HN 0.912 nan 8.150 nan 0.000 0.540 627 L N 2.186 123.569 121.223 0.268 0.000 2.375 627 L HA 0.119 4.458 4.340 -0.002 0.000 0.215 627 L C 0.989 177.868 176.870 0.015 0.000 1.108 627 L CA 0.959 55.894 54.840 0.159 0.000 0.830 627 L CB -0.041 42.048 42.059 0.050 0.000 0.959 627 L HN 0.827 nan 8.230 nan 0.000 0.457 628 S N -2.095 113.491 115.700 -0.190 0.000 2.552 628 S HA 0.357 4.826 4.470 -0.002 0.000 0.272 628 S C -1.063 173.080 174.600 -0.763 0.000 1.150 628 S CA -0.961 56.849 58.200 -0.650 0.000 0.849 628 S CB 2.488 65.509 63.200 -0.299 0.000 1.113 628 S HN -0.026 nan 8.310 nan 0.000 0.458 629 E N 0.487 120.155 120.200 -0.886 0.000 2.283 629 E HA 0.285 4.634 4.350 -0.002 0.000 0.267 629 E C 0.577 177.103 176.600 -0.123 0.000 1.045 629 E CA -0.523 55.685 56.400 -0.319 0.000 0.884 629 E CB 1.182 30.804 29.700 -0.130 0.000 1.106 629 E HN 0.711 nan 8.360 nan 0.000 0.408 630 Q N 0.472 120.268 119.800 -0.007 0.000 2.135 630 Q HA -0.108 4.231 4.340 -0.002 0.000 0.204 630 Q C 1.111 177.120 176.000 0.014 0.000 0.981 630 Q CA 1.915 57.727 55.803 0.015 0.000 0.856 630 Q CB -0.107 28.657 28.738 0.043 0.000 0.902 630 Q HN 0.583 nan 8.270 nan 0.000 0.425 631 T N -4.449 110.144 114.554 0.065 0.000 3.415 631 T HA 0.501 4.850 4.350 -0.002 0.000 0.282 631 T C 0.780 175.483 174.700 0.004 0.000 1.007 631 T CA 0.164 62.308 62.100 0.074 0.000 0.958 631 T CB 0.580 69.539 68.868 0.151 0.000 1.171 631 T HN 0.335 nan 8.240 nan 0.000 0.500 632 G N 1.381 110.138 108.800 -0.072 0.000 2.160 632 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.251 632 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.251 632 G C -0.057 174.705 174.900 -0.229 0.000 1.008 632 G CA 0.195 45.188 45.100 -0.178 0.000 0.724 632 G HN 0.779 nan 8.290 nan 0.000 0.514 633 H N -0.898 118.126 119.070 -0.076 0.000 2.581 633 H HA 0.484 5.039 4.556 -0.002 0.000 0.369 633 H C 1.505 176.846 175.328 0.021 0.000 1.351 633 H CA 0.591 56.613 56.048 -0.044 0.000 1.434 633 H CB 0.717 30.464 29.762 -0.024 0.000 1.558 633 H HN 0.090 nan 8.280 nan 0.000 0.608 634 K N 0.263 120.661 120.400 -0.003 0.000 2.167 634 K HA -0.030 4.290 4.320 -0.002 0.000 0.203 634 K C -0.442 176.179 176.600 0.034 0.000 1.052 634 K CA 0.849 57.060 56.287 -0.126 0.000 0.956 634 K CB 0.297 32.440 32.500 -0.596 0.000 0.735 634 K HN 0.387 nan 8.250 nan 0.000 0.451 635 Y N -0.199 120.302 120.300 0.336 0.000 2.496 635 Y HA 0.519 5.068 4.550 -0.001 0.000 0.331 635 Y C 0.002 175.888 175.900 -0.022 0.000 1.140 635 Y CA -1.578 56.565 58.100 0.071 0.000 1.166 635 Y CB 1.445 39.928 38.460 0.037 0.000 1.249 635 Y HN -0.096 nan 8.280 nan 0.000 0.479 636 A N 1.048 123.698 122.820 -0.283 0.000 2.337 636 A HA 0.920 5.239 4.320 -0.002 0.000 0.329 636 A C -1.003 176.145 177.584 -0.726 0.000 1.146 636 A CA -0.463 51.370 52.037 -0.338 0.000 0.800 636 A CB 0.599 19.369 19.000 -0.383 0.000 1.220 636 A HN 0.897 nan 8.150 nan 0.000 0.472 637 A N 1.460 123.977 122.820 -0.505 0.000 2.393 637 A HA 0.709 5.028 4.320 -0.002 0.000 0.306 637 A C -1.164 176.338 177.584 -0.137 0.000 1.050 637 A CA -0.456 51.292 52.037 -0.483 0.000 0.724 637 A CB 1.478 20.132 19.000 -0.577 0.000 1.248 637 A HN 1.251 nan 8.150 nan 0.000 0.424 638 V N 1.969 121.934 119.914 0.085 0.000 2.577 638 V HA 0.543 4.662 4.120 -0.002 0.000 0.303 638 V C 0.977 177.201 176.094 0.217 0.000 1.042 638 V CA 0.164 62.591 62.300 0.212 0.000 0.872 638 V CB 1.314 33.422 31.823 0.475 0.000 0.998 638 V HN 1.253 nan 8.190 nan 0.000 0.423 639 A N 3.465 126.321 122.820 0.059 0.000 1.898 639 A HA 0.235 4.555 4.320 -0.002 0.000 0.214 639 A C 0.756 178.376 177.584 0.061 0.000 1.183 639 A CA 1.068 53.163 52.037 0.097 0.000 0.622 639 A CB 0.110 19.118 19.000 0.013 0.000 0.824 639 A HN 0.674 nan 8.150 nan 0.000 0.444 640 E N -1.264 118.926 120.200 -0.016 0.000 2.356 640 E HA 0.633 4.982 4.350 -0.002 0.000 0.275 640 E C -1.745 174.849 176.600 -0.010 0.000 0.904 640 E CA -0.327 56.067 56.400 -0.011 0.000 0.757 640 E CB 1.737 31.412 29.700 -0.042 0.000 1.232 640 E HN 0.255 nan 8.360 nan 0.000 0.442 641 L N 1.883 123.123 121.223 0.028 0.000 2.381 641 L HA 0.463 4.802 4.340 -0.002 0.000 0.274 641 L C -0.219 176.671 176.870 0.033 0.000 0.988 641 L CA -0.647 54.221 54.840 0.047 0.000 0.824 641 L CB 1.691 43.798 42.059 0.080 0.000 1.263 641 L HN 0.252 nan 8.230 nan 0.000 0.410 642 E N 2.713 122.932 120.200 0.032 0.000 2.256 642 E HA 0.544 4.893 4.350 -0.002 0.000 0.267 642 E C -1.287 175.340 176.600 0.045 0.000 0.892 642 E CA -0.701 55.713 56.400 0.023 0.000 0.775 642 E CB 3.508 33.210 29.700 0.003 0.000 1.207 642 E HN 0.140 nan 8.360 nan 0.000 0.420 643 V N 2.220 122.154 119.914 0.033 0.000 2.409 643 V HA 0.189 4.308 4.120 -0.002 0.000 0.291 643 V C -0.219 175.882 176.094 0.013 0.000 1.020 643 V CA -0.709 61.621 62.300 0.049 0.000 0.848 643 V CB 1.567 33.422 31.823 0.054 0.000 0.990 643 V HN 0.518 nan 8.190 nan 0.000 0.430 644 E N 3.411 123.614 120.200 0.004 0.000 2.194 644 E HA 0.640 4.989 4.350 -0.002 0.000 0.284 644 E C 0.411 176.988 176.600 -0.038 0.000 1.035 644 E CA 0.036 56.419 56.400 -0.028 0.000 0.836 644 E CB 1.633 31.299 29.700 -0.057 0.000 1.070 644 E HN 0.928 nan 8.360 nan 0.000 0.401 645 G N 2.291 111.074 108.800 -0.029 0.000 2.320 645 G HA2 0.061 4.020 3.960 -0.002 0.000 0.296 645 G HA3 0.061 4.020 3.960 -0.002 0.000 0.296 645 G C -1.644 173.248 174.900 -0.014 0.000 1.306 645 G CA -0.975 44.117 45.100 -0.013 0.000 0.836 645 G HN 0.418 nan 8.290 nan 0.000 0.517 646 Q N 0.565 120.381 119.800 0.027 0.000 2.303 646 Q HA 0.458 4.797 4.340 -0.002 0.000 0.257 646 Q C 0.657 176.707 176.000 0.084 0.000 0.941 646 Q CA -0.674 55.157 55.803 0.046 0.000 0.931 646 Q CB 1.849 30.626 28.738 0.066 0.000 1.215 646 Q HN 0.714 nan 8.270 nan 0.000 0.437 647 R N 0.000 120.513 120.500 0.021 0.000 2.786 647 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 647 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 647 R CB 0.000 30.270 30.300 -0.051 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535