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 1w91_1_G DATA FIRST_RESID 4 DATA SEQUENCE VNVPSNGREK FKKNWKFCVG TGRLGLALQK EYLDHLKLVQ EKIGFRYIRG DATA SEQUENCE HGLLSDDVGI YREVEIDGEM KPFYNFTYID RIVDSYLALN IRPFIEFGFM DATA SEQUENCE PKALASGDQT VFYWKGNVTP PKDYNKWRDL IVAVVSHFIE RYGIEEVRTW DATA SEQUENCE LFEVWNEPNL VNFWKDANKQ EYFKLYEVTA RAVKSVDPHL QVGGPAICGG DATA SEQUENCE SDEWITDFLH FCAERRVPVD FVSRHAYTSK APHKKTFEYY YQELEPPEDM DATA SEQUENCE LEQFKTVRAL IRQSPFPHLP LHITEYNTSY SPINPVHDTA LNAAYIARIL DATA SEQUENCE SEGGDYVDSF SYWTFSDVFE EMDVPKALFH GGFGLVALHS IPKPTFHAFT DATA SEQUENCE FFNALGDELL YRDGEMIVTR RKDGSIAAVL WNLVMEKGEG LTKEVQLVIP DATA SEQUENCE VSFSAVFIKR QIVNEQYGNA WRVWKQMGRP RFPSRQAVET LRQVAQPHVM DATA SEQUENCE TEQRRATDGV IHLSIVLSKN EVTLIEIEQV RDETSTYVGL DDGEITSYS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.875 176.094 -0.365 0.000 1.182 4 V CA 0.000 62.087 62.300 -0.355 0.000 1.235 4 V CB 0.000 31.529 31.823 -0.490 0.000 1.184 5 N N 3.084 121.584 118.700 -0.333 0.000 2.527 5 N HA 0.380 5.120 4.740 -0.000 0.000 0.236 5 N C -0.309 175.023 175.510 -0.296 0.000 0.999 5 N CA -0.238 52.651 53.050 -0.270 0.000 0.935 5 N CB 2.365 40.745 38.487 -0.178 0.000 1.132 5 N HN 0.476 nan 8.380 nan 0.000 0.511 6 V N 4.421 124.158 119.914 -0.295 0.000 2.470 6 V HA 0.154 4.274 4.120 -0.000 0.000 0.276 6 V C -1.786 174.245 176.094 -0.106 0.000 1.040 6 V CA -1.192 60.980 62.300 -0.214 0.000 1.008 6 V CB 0.565 32.279 31.823 -0.182 0.000 0.990 6 V HN 0.440 nan 8.190 nan 0.000 0.477 7 P HA 0.162 nan 4.420 nan 0.000 0.271 7 P C 0.512 177.798 177.300 -0.022 0.000 1.218 7 P CA -0.251 62.837 63.100 -0.020 0.000 0.780 7 P CB 0.640 32.351 31.700 0.018 0.000 0.901 8 S N -0.159 115.523 115.700 -0.030 0.000 2.575 8 S HA 0.125 4.595 4.470 -0.000 0.000 0.215 8 S C 0.528 175.121 174.600 -0.012 0.000 0.966 8 S CA -0.061 58.119 58.200 -0.032 0.000 0.911 8 S CB -0.531 62.639 63.200 -0.051 0.000 0.780 8 S HN 0.334 nan 8.310 nan 0.000 0.514 9 N N 0.097 118.797 118.700 0.000 0.000 2.292 9 N HA 0.474 5.214 4.740 -0.000 0.000 0.303 9 N C 0.581 176.105 175.510 0.023 0.000 1.140 9 N CA -0.090 52.967 53.050 0.012 0.000 0.788 9 N CB 1.956 40.450 38.487 0.012 0.000 1.361 9 N HN 0.254 nan 8.380 nan 0.000 0.489 10 G N -0.229 108.590 108.800 0.031 0.000 2.570 10 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.209 10 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.209 10 G C 0.937 175.861 174.900 0.039 0.000 1.168 10 G CA 0.332 45.456 45.100 0.040 0.000 0.831 10 G HN 0.680 nan 8.290 nan 0.000 0.564 11 R N -0.628 119.894 120.500 0.037 0.000 2.198 11 R HA -0.159 4.181 4.340 -0.000 0.000 0.155 11 R C 0.060 176.384 176.300 0.040 0.000 0.877 11 R CA 1.842 57.962 56.100 0.034 0.000 1.870 11 R CB -1.317 29.000 30.300 0.028 0.000 0.812 11 R HN 0.494 nan 8.270 nan 0.000 0.662 12 E N 1.046 121.275 120.200 0.047 0.000 2.227 12 E HA 0.294 4.644 4.350 -0.000 0.000 0.268 12 E C -0.587 176.063 176.600 0.083 0.000 0.990 12 E CA -0.694 55.739 56.400 0.057 0.000 0.856 12 E CB 1.235 30.966 29.700 0.052 0.000 1.159 12 E HN 0.013 nan 8.360 nan 0.000 0.401 13 K N 1.471 121.926 120.400 0.091 0.000 2.138 13 K HA 0.286 4.606 4.320 -0.000 0.000 0.263 13 K C -0.511 176.200 176.600 0.186 0.000 0.965 13 K CA -0.688 55.674 56.287 0.125 0.000 0.868 13 K CB 0.737 33.291 32.500 0.089 0.000 1.083 13 K HN 0.370 nan 8.250 nan 0.000 0.443 14 F N 3.142 123.146 119.950 0.090 0.000 2.413 14 F HA 0.177 4.704 4.527 -0.000 0.000 0.359 14 F C 0.317 176.228 175.800 0.185 0.000 1.122 14 F CA -0.450 57.628 58.000 0.129 0.000 1.160 14 F CB 0.388 39.464 39.000 0.127 0.000 1.146 14 F HN 0.295 nan 8.300 nan 0.000 0.514 15 K N 5.437 125.633 120.400 -0.340 0.000 2.219 15 K HA 0.169 4.489 4.320 -0.000 0.000 0.258 15 K C 0.602 177.076 176.600 -0.209 0.000 1.008 15 K CA -0.438 55.731 56.287 -0.197 0.000 0.928 15 K CB 0.750 33.173 32.500 -0.128 0.000 0.983 15 K HN 0.587 nan 8.250 nan 0.000 0.484 16 K N 1.521 121.894 120.400 -0.045 0.000 2.410 16 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 16 K C 0.455 176.892 176.600 -0.271 0.000 1.023 16 K CA -0.014 56.217 56.287 -0.094 0.000 1.149 16 K CB 0.093 32.554 32.500 -0.065 0.000 0.859 16 K HN 0.422 nan 8.250 nan 0.000 0.514 17 N N 1.645 120.296 118.700 -0.082 0.000 2.137 17 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 17 N C 1.357 176.804 175.510 -0.105 0.000 1.017 17 N CA 1.190 54.232 53.050 -0.013 0.000 0.859 17 N CB -0.236 38.332 38.487 0.134 0.000 1.002 17 N HN 0.525 nan 8.380 nan 0.000 0.428 18 W N 0.556 121.780 121.300 -0.127 0.000 2.538 18 W HA 0.017 4.677 4.660 -0.000 0.000 0.254 18 W C 0.896 177.345 176.519 -0.118 0.000 1.249 18 W CA 0.448 57.535 57.345 -0.430 0.000 1.253 18 W CB -0.454 28.972 29.460 -0.058 0.000 1.130 18 W HN 0.081 nan 8.180 nan 0.000 0.618 19 K N -0.717 119.211 120.400 -0.787 0.000 2.438 19 K HA 0.037 4.357 4.320 -0.000 0.000 0.206 19 K C 1.455 177.994 176.600 -0.102 0.000 1.081 19 K CA -0.393 55.437 56.287 -0.762 0.000 1.053 19 K CB -0.259 31.351 32.500 -1.483 0.000 0.908 19 K HN -0.057 nan 8.250 nan 0.000 0.556 20 F N 1.001 120.847 119.950 -0.172 0.000 2.161 20 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 20 F C 0.671 176.538 175.800 0.112 0.000 1.089 20 F CA 0.848 58.842 58.000 -0.009 0.000 1.282 20 F CB 0.276 39.270 39.000 -0.010 0.000 1.010 20 F HN -0.018 nan 8.300 nan 0.000 0.485 21 C N 0.819 120.237 119.300 0.196 0.000 2.985 21 C HA 0.654 5.114 4.460 -0.000 0.000 0.332 21 C C -0.853 173.931 174.990 -0.343 0.000 1.164 21 C CA -0.562 58.434 59.018 -0.038 0.000 1.347 21 C CB 0.623 28.410 27.740 0.080 0.000 1.764 21 C HN 0.166 nan 8.230 nan 0.000 0.489 22 V N 2.732 122.233 119.914 -0.689 0.000 2.914 22 V HA 0.985 5.105 4.120 -0.000 0.000 0.314 22 V C 0.483 176.302 176.094 -0.459 0.000 1.084 22 V CA -0.050 61.748 62.300 -0.837 0.000 0.963 22 V CB 1.296 32.333 31.823 -1.310 0.000 1.025 22 V HN 1.242 nan 8.190 nan 0.000 0.432 23 G N 0.117 108.735 108.800 -0.304 0.000 2.502 23 G HA2 0.619 4.579 3.960 -0.000 0.000 0.305 23 G HA3 0.619 4.579 3.960 -0.000 0.000 0.305 23 G C -0.432 174.290 174.900 -0.297 0.000 1.190 23 G CA 0.044 45.023 45.100 -0.203 0.000 0.933 23 G HN 1.185 nan 8.290 nan 0.000 0.503 24 T N -1.503 112.835 114.554 -0.360 0.000 2.883 24 T HA 0.641 4.991 4.350 -0.000 0.000 0.301 24 T C 0.666 175.174 174.700 -0.319 0.000 1.158 24 T CA 0.330 62.361 62.100 -0.114 0.000 1.007 24 T CB 1.194 70.192 68.868 0.217 0.000 1.186 24 T HN 0.969 nan 8.240 nan 0.000 0.499 25 G N 1.695 110.459 108.800 -0.060 0.000 2.683 25 G HA2 0.415 4.375 3.960 -0.000 0.000 0.260 25 G HA3 0.415 4.375 3.960 -0.000 0.000 0.260 25 G C 0.139 174.951 174.900 -0.145 0.000 1.238 25 G CA -0.707 44.306 45.100 -0.145 0.000 0.934 25 G HN 1.098 nan 8.290 nan 0.000 0.534 26 R N -0.559 119.757 120.500 -0.306 0.000 2.758 26 R HA 0.028 4.368 4.340 -0.000 0.000 0.263 26 R C 0.958 177.103 176.300 -0.258 0.000 1.010 26 R CA -0.199 55.709 56.100 -0.319 0.000 1.114 26 R CB 0.256 30.041 30.300 -0.858 0.000 0.985 26 R HN 0.378 nan 8.270 nan 0.000 0.439 27 L N 2.307 123.427 121.223 -0.173 0.000 2.131 27 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 27 L C 2.590 179.292 176.870 -0.279 0.000 1.092 27 L CA 1.619 56.367 54.840 -0.152 0.000 0.759 27 L CB -0.880 41.155 42.059 -0.041 0.000 0.903 27 L HN 1.084 nan 8.230 nan 0.000 0.435 28 G N 0.577 109.201 108.800 -0.292 0.000 2.475 28 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.220 28 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.220 28 G C 1.600 176.260 174.900 -0.399 0.000 1.125 28 G CA 0.577 45.482 45.100 -0.326 0.000 0.755 28 G HN 0.305 nan 8.290 nan 0.000 0.565 29 L N 0.574 121.547 121.223 -0.416 0.000 2.362 29 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 29 L C 3.217 179.666 176.870 -0.701 0.000 1.134 29 L CA 0.547 55.137 54.840 -0.415 0.000 0.807 29 L CB -0.308 41.594 42.059 -0.261 0.000 0.927 29 L HN 0.280 nan 8.230 nan 0.000 0.447 30 A N 0.315 122.545 122.820 -0.982 0.000 2.131 30 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 30 A C 2.173 179.349 177.584 -0.679 0.000 1.158 30 A CA 1.159 52.400 52.037 -1.326 0.000 0.665 30 A CB -0.578 17.862 19.000 -0.932 0.000 0.795 30 A HN 0.442 nan 8.150 nan 0.000 0.460 31 L N -0.566 120.348 121.223 -0.515 0.000 2.376 31 L HA -0.076 4.264 4.340 -0.000 0.000 0.219 31 L C 0.881 177.595 176.870 -0.261 0.000 1.133 31 L CA 0.179 54.792 54.840 -0.379 0.000 0.816 31 L CB -0.397 41.384 42.059 -0.463 0.000 0.933 31 L HN 0.469 nan 8.230 nan 0.000 0.449 32 Q N 0.464 120.119 119.800 -0.241 0.000 2.332 32 Q HA -0.031 4.309 4.340 -0.000 0.000 0.263 32 Q C 0.793 176.751 176.000 -0.071 0.000 0.979 32 Q CA -0.137 55.583 55.803 -0.139 0.000 0.885 32 Q CB 1.372 30.039 28.738 -0.118 0.000 1.218 32 Q HN -0.039 nan 8.270 nan 0.000 0.405 33 K N 2.428 122.789 120.400 -0.066 0.000 2.063 33 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 33 K C 1.620 178.189 176.600 -0.052 0.000 1.048 33 K CA 1.851 58.113 56.287 -0.042 0.000 0.928 33 K CB 0.071 32.547 32.500 -0.041 0.000 0.713 33 K HN 0.572 nan 8.250 nan 0.000 0.442 34 E N -0.473 119.662 120.200 -0.108 0.000 2.058 34 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 34 E C 1.892 178.281 176.600 -0.352 0.000 0.997 34 E CA 1.770 58.025 56.400 -0.241 0.000 0.801 34 E CB -0.555 28.972 29.700 -0.288 0.000 0.746 34 E HN 0.513 nan 8.360 nan 0.000 0.450 35 Y N 0.313 120.421 120.300 -0.320 0.000 2.165 35 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 35 Y C 1.900 177.802 175.900 0.004 0.000 1.155 35 Y CA 1.837 59.825 58.100 -0.186 0.000 1.164 35 Y CB -0.084 38.329 38.460 -0.078 0.000 0.978 35 Y HN 0.055 nan 8.280 nan 0.000 0.513 36 L N -0.241 121.139 121.223 0.262 0.000 2.093 36 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 36 L C 2.020 178.953 176.870 0.106 0.000 1.085 36 L CA 1.208 56.163 54.840 0.193 0.000 0.755 36 L CB -0.602 41.529 42.059 0.120 0.000 0.904 36 L HN 0.218 nan 8.230 nan 0.000 0.435 37 D N -0.508 119.930 120.400 0.062 0.000 2.104 37 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 37 D C 2.048 178.461 176.300 0.188 0.000 0.994 37 D CA 1.494 55.550 54.000 0.092 0.000 0.830 37 D CB -0.367 40.484 40.800 0.085 0.000 0.959 37 D HN 0.487 nan 8.370 nan 0.000 0.452 38 H N 0.049 119.133 119.070 0.024 0.000 2.353 38 H HA -0.010 4.546 4.556 -0.000 0.000 0.300 38 H C 2.359 177.789 175.328 0.170 0.000 1.090 38 H CA 0.178 56.249 56.048 0.038 0.000 1.327 38 H CB 0.122 29.834 29.762 -0.082 0.000 1.383 38 H HN 0.061 nan 8.280 nan 0.000 0.508 39 L N 1.180 122.581 121.223 0.295 0.000 2.093 39 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 39 L C 2.596 179.476 176.870 0.017 0.000 1.085 39 L CA 1.190 56.031 54.840 0.001 0.000 0.755 39 L CB -0.239 41.715 42.059 -0.176 0.000 0.904 39 L HN 0.240 nan 8.230 nan 0.000 0.435 40 K N 0.130 120.568 120.400 0.063 0.000 2.026 40 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 40 K C 2.165 178.806 176.600 0.069 0.000 1.048 40 K CA 1.296 57.613 56.287 0.049 0.000 0.929 40 K CB -0.151 32.381 32.500 0.052 0.000 0.713 40 K HN 0.304 nan 8.250 nan 0.000 0.439 41 L N 1.165 122.448 121.223 0.101 0.000 2.013 41 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 41 L C 2.313 179.311 176.870 0.214 0.000 1.073 41 L CA 1.522 56.439 54.840 0.128 0.000 0.753 41 L CB -0.340 41.761 42.059 0.070 0.000 0.890 41 L HN 0.113 nan 8.230 nan 0.000 0.432 42 V N -0.468 119.583 119.914 0.228 0.000 2.427 42 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 42 V C 2.562 178.692 176.094 0.059 0.000 1.051 42 V CA 1.395 63.834 62.300 0.231 0.000 1.048 42 V CB -0.367 31.611 31.823 0.258 0.000 0.666 42 V HN 0.514 nan 8.190 nan 0.000 0.456 43 Q N -0.306 119.505 119.800 0.018 0.000 2.123 43 Q HA -0.158 4.182 4.340 -0.000 0.000 0.199 43 Q C 2.198 178.178 176.000 -0.034 0.000 0.966 43 Q CA 1.317 57.094 55.803 -0.044 0.000 0.845 43 Q CB -0.198 28.502 28.738 -0.064 0.000 0.907 43 Q HN 0.719 nan 8.270 nan 0.000 0.439 44 E N 0.418 120.627 120.200 0.014 0.000 2.106 44 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 44 E C 1.743 178.363 176.600 0.034 0.000 0.984 44 E CA 0.875 57.292 56.400 0.028 0.000 0.806 44 E CB 0.106 29.840 29.700 0.057 0.000 0.750 44 E HN 0.238 nan 8.360 nan 0.000 0.458 45 K N -0.499 119.931 120.400 0.051 0.000 2.334 45 K HA 0.156 4.476 4.320 -0.000 0.000 0.195 45 K C 1.681 178.237 176.600 -0.074 0.000 1.045 45 K CA 0.393 56.698 56.287 0.031 0.000 1.004 45 K CB 0.684 33.260 32.500 0.127 0.000 0.837 45 K HN 0.085 nan 8.250 nan 0.000 0.510 46 I N -1.116 119.361 120.570 -0.156 0.000 3.623 46 I HA 0.154 4.324 4.170 -0.000 0.000 0.253 46 I C 0.438 176.332 176.117 -0.372 0.000 1.144 46 I CA 0.158 61.285 61.300 -0.287 0.000 1.461 46 I CB 0.737 38.423 38.000 -0.525 0.000 1.575 46 I HN 0.130 nan 8.210 nan 0.000 0.445 47 G N 2.478 111.048 108.800 -0.383 0.000 2.756 47 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.272 47 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.272 47 G C -0.299 174.349 174.900 -0.421 0.000 1.128 47 G CA -0.637 44.289 45.100 -0.290 0.000 1.145 47 G HN 0.077 nan 8.290 nan 0.000 0.545 48 F N 0.027 119.816 119.950 -0.267 0.000 2.490 48 F HA 0.399 4.926 4.527 -0.000 0.000 0.336 48 F C 2.113 177.701 175.800 -0.355 0.000 1.178 48 F CA -0.262 57.546 58.000 -0.318 0.000 1.301 48 F CB 0.605 39.404 39.000 -0.334 0.000 1.175 48 F HN 0.178 nan 8.300 nan 0.000 0.593 49 R N 0.674 121.074 120.500 -0.167 0.000 2.112 49 R HA 0.052 4.392 4.340 -0.000 0.000 0.216 49 R C -0.648 175.219 176.300 -0.721 0.000 1.080 49 R CA 0.880 56.729 56.100 -0.417 0.000 0.996 49 R CB 0.054 30.113 30.300 -0.402 0.000 0.902 49 R HN 0.501 nan 8.270 nan 0.000 0.449 50 Y N -0.864 119.140 120.300 -0.493 0.000 2.602 50 Y HA 0.528 5.078 4.550 -0.000 0.000 0.342 50 Y C -0.430 175.178 175.900 -0.485 0.000 1.029 50 Y CA -1.024 56.766 58.100 -0.517 0.000 1.080 50 Y CB 1.948 40.097 38.460 -0.519 0.000 1.284 50 Y HN -0.171 nan 8.280 nan 0.000 0.485 51 I N 1.929 122.277 120.570 -0.371 0.000 2.619 51 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 51 I C -1.475 174.451 176.117 -0.318 0.000 1.100 51 I CA -0.837 60.180 61.300 -0.472 0.000 1.043 51 I CB 1.359 38.897 38.000 -0.770 0.000 1.239 51 I HN 0.538 nan 8.210 nan 0.000 0.420 52 R N 5.526 125.882 120.500 -0.240 0.000 2.451 52 R HA 0.692 5.032 4.340 -0.000 0.000 0.307 52 R C -1.266 175.019 176.300 -0.024 0.000 0.965 52 R CA -0.522 55.490 56.100 -0.147 0.000 0.865 52 R CB 1.677 31.787 30.300 -0.315 0.000 1.174 52 R HN 0.880 nan 8.270 nan 0.000 0.455 53 G N 2.596 111.408 108.800 0.020 0.000 2.619 53 G HA2 0.439 4.399 3.960 -0.000 0.000 0.296 53 G HA3 0.439 4.399 3.960 -0.000 0.000 0.296 53 G C -0.961 174.029 174.900 0.151 0.000 1.334 53 G CA -0.469 44.677 45.100 0.076 0.000 0.934 53 G HN 0.552 nan 8.290 nan 0.000 0.476 54 H N -0.602 118.596 119.070 0.214 0.000 2.581 54 H HA 0.462 5.018 4.556 -0.000 0.000 0.369 54 H C 1.518 176.878 175.328 0.054 0.000 1.351 54 H CA 0.340 56.461 56.048 0.123 0.000 1.434 54 H CB 0.893 30.927 29.762 0.452 0.000 1.558 54 H HN 1.310 nan 8.280 nan 0.000 0.608 55 G N 0.048 108.955 108.800 0.177 0.000 2.143 55 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 55 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 55 G C 1.124 176.094 174.900 0.116 0.000 0.991 55 G CA 0.610 45.806 45.100 0.160 0.000 0.689 55 G HN 0.580 nan 8.290 nan 0.000 0.522 56 L N -0.146 121.155 121.223 0.130 0.000 2.042 56 L HA 0.145 4.485 4.340 -0.000 0.000 0.210 56 L C 2.232 179.239 176.870 0.229 0.000 1.076 56 L CA 2.561 57.511 54.840 0.183 0.000 0.749 56 L CB -0.194 42.001 42.059 0.226 0.000 0.893 56 L HN 0.408 nan 8.230 nan 0.000 0.432 57 L N -1.160 120.219 121.223 0.259 0.000 2.667 57 L HA 0.225 4.565 4.340 -0.000 0.000 0.232 57 L C 0.857 177.910 176.870 0.306 0.000 1.138 57 L CA -0.395 54.618 54.840 0.287 0.000 0.921 57 L CB -0.226 42.030 42.059 0.328 0.000 1.180 57 L HN 0.043 nan 8.230 nan 0.000 0.487 58 S N -0.402 115.477 115.700 0.299 0.000 2.669 58 S HA 0.125 4.595 4.470 -0.000 0.000 0.270 58 S C 0.750 175.505 174.600 0.258 0.000 1.225 58 S CA -0.597 57.810 58.200 0.345 0.000 0.991 58 S CB 1.123 64.609 63.200 0.477 0.000 0.987 58 S HN 0.193 nan 8.310 nan 0.000 0.552 59 D N 1.006 121.557 120.400 0.252 0.000 2.347 59 D HA -0.078 4.562 4.640 -0.000 0.000 0.213 59 D C 1.299 177.691 176.300 0.153 0.000 0.985 59 D CA 0.414 54.531 54.000 0.194 0.000 0.879 59 D CB -0.051 40.858 40.800 0.182 0.000 0.919 59 D HN 0.625 nan 8.370 nan 0.000 0.526 60 D N 1.068 121.549 120.400 0.134 0.000 2.117 60 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 60 D C 2.071 178.479 176.300 0.181 0.000 0.982 60 D CA 0.550 54.615 54.000 0.107 0.000 0.828 60 D CB -0.566 40.240 40.800 0.010 0.000 0.967 60 D HN 0.048 nan 8.370 nan 0.000 0.464 61 V N 0.593 120.599 119.914 0.154 0.000 2.594 61 V HA -0.015 4.105 4.120 -0.000 0.000 0.253 61 V C 2.181 178.415 176.094 0.234 0.000 1.069 61 V CA 1.725 64.162 62.300 0.228 0.000 1.082 61 V CB -1.021 30.887 31.823 0.141 0.000 0.680 61 V HN 0.654 nan 8.190 nan 0.000 0.469 62 G N -0.675 108.216 108.800 0.152 0.000 2.159 62 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.256 62 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.256 62 G C 0.691 175.601 174.900 0.018 0.000 0.977 62 G CA 0.557 45.697 45.100 0.067 0.000 0.652 62 G HN 0.451 nan 8.290 nan 0.000 0.531 63 I N -0.953 119.647 120.570 0.049 0.000 2.099 63 I HA -0.067 4.103 4.170 -0.000 0.000 0.239 63 I C 1.527 177.639 176.117 -0.007 0.000 1.066 63 I CA 1.299 62.566 61.300 -0.054 0.000 1.324 63 I CB -0.129 37.881 38.000 0.017 0.000 1.037 63 I HN 0.303 nan 8.210 nan 0.000 0.401 64 Y N 3.101 123.410 120.300 0.016 0.000 2.367 64 Y HA 0.395 4.945 4.550 -0.000 0.000 0.342 64 Y C -0.021 175.890 175.900 0.019 0.000 0.979 64 Y CA -0.640 57.480 58.100 0.033 0.000 1.161 64 Y CB 0.141 38.666 38.460 0.109 0.000 1.155 64 Y HN -0.021 nan 8.280 nan 0.000 0.503 65 R N 4.263 124.402 120.500 -0.602 0.000 2.807 65 R HA 0.404 4.744 4.340 -0.000 0.000 0.276 65 R C -1.098 174.831 176.300 -0.619 0.000 0.979 65 R CA -1.001 54.853 56.100 -0.411 0.000 0.928 65 R CB 2.004 32.209 30.300 -0.158 0.000 1.191 65 R HN 0.768 nan 8.270 nan 0.000 0.471 66 E N 0.658 120.659 120.200 -0.333 0.000 2.183 66 E HA 0.487 4.837 4.350 -0.000 0.000 0.271 66 E C -0.998 175.511 176.600 -0.151 0.000 0.919 66 E CA -0.850 55.408 56.400 -0.237 0.000 0.781 66 E CB 2.819 32.457 29.700 -0.102 0.000 1.140 66 E HN 0.023 nan 8.360 nan 0.000 0.402 67 V N 2.485 122.317 119.914 -0.136 0.000 2.656 67 V HA 0.152 4.272 4.120 -0.000 0.000 0.307 67 V C -0.815 175.225 176.094 -0.091 0.000 1.051 67 V CA -0.635 61.587 62.300 -0.130 0.000 0.893 67 V CB 2.091 33.812 31.823 -0.170 0.000 0.999 67 V HN 0.676 nan 8.190 nan 0.000 0.426 68 E N 5.281 125.432 120.200 -0.082 0.000 2.044 68 E HA 0.432 4.782 4.350 -0.000 0.000 0.282 68 E C -0.481 176.082 176.600 -0.061 0.000 1.031 68 E CA -0.484 55.880 56.400 -0.059 0.000 0.824 68 E CB 0.721 30.393 29.700 -0.047 0.000 1.076 68 E HN 0.654 nan 8.360 nan 0.000 0.395 69 I N 2.460 123.000 120.570 -0.050 0.000 2.330 69 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 69 I C 0.534 176.632 176.117 -0.031 0.000 1.025 69 I CA -0.788 60.486 61.300 -0.045 0.000 1.197 69 I CB 1.042 39.017 38.000 -0.041 0.000 1.358 69 I HN 0.536 nan 8.210 nan 0.000 0.467 70 D N 4.865 125.246 120.400 -0.031 0.000 4.333 70 D HA -0.321 4.319 4.640 -0.000 0.000 0.358 70 D C 1.540 177.829 176.300 -0.018 0.000 0.472 70 D CA 2.872 56.858 54.000 -0.023 0.000 1.185 70 D CB -0.869 39.920 40.800 -0.019 0.000 0.581 70 D HN 0.846 nan 8.370 nan 0.000 0.288 71 G N 1.119 109.910 108.800 -0.014 0.000 2.992 71 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.199 71 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.199 71 G C 0.664 175.557 174.900 -0.011 0.000 1.380 71 G CA 2.338 47.432 45.100 -0.010 0.000 0.776 71 G HN 0.711 nan 8.290 nan 0.000 0.757 72 E N -1.202 118.992 120.200 -0.010 0.000 2.469 72 E HA 0.616 4.966 4.350 -0.000 0.000 0.246 72 E C -0.438 176.153 176.600 -0.015 0.000 0.969 72 E CA -1.141 55.254 56.400 -0.007 0.000 0.881 72 E CB 0.708 30.409 29.700 0.001 0.000 1.320 72 E HN 0.041 nan 8.360 nan 0.000 0.421 73 M N 1.218 120.812 119.600 -0.010 0.000 2.162 73 M HA 0.313 4.793 4.480 -0.000 0.000 0.356 73 M C -0.475 175.814 176.300 -0.018 0.000 1.303 73 M CA -0.086 55.203 55.300 -0.018 0.000 1.116 73 M CB 0.237 32.834 32.600 -0.004 0.000 1.632 73 M HN 0.395 nan 8.290 nan 0.000 0.469 74 K N 4.327 124.700 120.400 -0.044 0.000 2.318 74 K HA 0.640 4.960 4.320 -0.000 0.000 0.249 74 K C -2.569 173.957 176.600 -0.123 0.000 0.942 74 K CA -1.653 54.603 56.287 -0.052 0.000 0.808 74 K CB 2.135 34.611 32.500 -0.040 0.000 1.189 74 K HN 0.306 nan 8.250 nan 0.000 0.428 75 P HA 0.206 nan 4.420 nan 0.000 0.275 75 P C -0.922 176.069 177.300 -0.514 0.000 1.228 75 P CA -0.196 62.650 63.100 -0.424 0.000 0.786 75 P CB 0.428 31.914 31.700 -0.357 0.000 0.927 76 F N 2.524 121.986 119.950 -0.814 0.000 2.547 76 F HA 0.457 4.984 4.527 -0.000 0.000 0.316 76 F C -1.363 173.972 175.800 -0.775 0.000 1.121 76 F CA -1.014 56.578 58.000 -0.680 0.000 0.911 76 F CB 1.404 40.164 39.000 -0.400 0.000 1.179 76 F HN 0.180 nan 8.300 nan 0.000 0.443 77 Y N 4.615 124.260 120.300 -1.092 0.000 2.353 77 Y HA 0.307 4.857 4.550 -0.000 0.000 0.340 77 Y C 0.018 175.108 175.900 -1.350 0.000 0.972 77 Y CA -0.740 56.748 58.100 -1.019 0.000 1.157 77 Y CB 0.785 38.746 38.460 -0.833 0.000 1.157 77 Y HN 0.511 nan 8.280 nan 0.000 0.495 78 N N 3.719 121.947 118.700 -0.787 0.000 2.469 78 N HA 0.218 4.958 4.740 -0.000 0.000 0.253 78 N C -0.789 174.386 175.510 -0.558 0.000 0.970 78 N CA -0.535 52.220 53.050 -0.492 0.000 0.940 78 N CB 0.344 38.785 38.487 -0.077 0.000 1.128 78 N HN 0.545 nan 8.380 nan 0.000 0.503 79 F N 1.095 120.940 119.950 -0.176 0.000 2.693 79 F HA 0.145 4.672 4.527 -0.000 0.000 0.303 79 F C 1.993 177.776 175.800 -0.028 0.000 1.097 79 F CA -0.252 57.637 58.000 -0.185 0.000 1.330 79 F CB 0.379 39.028 39.000 -0.584 0.000 1.067 79 F HN 0.364 nan 8.300 nan 0.000 0.565 80 T N -0.271 114.331 114.554 0.080 0.000 2.607 80 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 80 T C 1.620 176.444 174.700 0.206 0.000 1.049 80 T CA 1.838 63.987 62.100 0.081 0.000 1.162 80 T CB -0.366 68.450 68.868 -0.087 0.000 0.863 80 T HN 0.181 nan 8.240 nan 0.000 0.424 81 Y N 1.454 121.795 120.300 0.068 0.000 2.153 81 Y HA 0.028 4.578 4.550 -0.000 0.000 0.289 81 Y C 2.353 178.294 175.900 0.068 0.000 1.127 81 Y CA -0.230 57.894 58.100 0.040 0.000 1.131 81 Y CB -1.233 37.232 38.460 0.008 0.000 0.995 81 Y HN 0.285 nan 8.280 nan 0.000 0.505 82 I N -1.040 119.715 120.570 0.308 0.000 2.454 82 I HA -0.173 3.997 4.170 -0.000 0.000 0.254 82 I C 1.632 177.946 176.117 0.328 0.000 1.156 82 I CA 1.175 62.651 61.300 0.293 0.000 1.433 82 I CB -1.029 37.234 38.000 0.437 0.000 1.082 82 I HN -0.077 nan 8.210 nan 0.000 0.432 83 D N 1.275 121.897 120.400 0.371 0.000 2.104 83 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 83 D C 2.278 178.722 176.300 0.240 0.000 0.994 83 D CA 1.342 55.567 54.000 0.375 0.000 0.830 83 D CB -0.377 40.618 40.800 0.324 0.000 0.959 83 D HN 0.393 nan 8.370 nan 0.000 0.452 84 R N 0.267 120.866 120.500 0.166 0.000 2.091 84 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 84 R C 2.379 178.649 176.300 -0.050 0.000 1.136 84 R CA 0.958 57.099 56.100 0.069 0.000 0.959 84 R CB -0.292 30.048 30.300 0.067 0.000 0.856 84 R HN 0.189 nan 8.270 nan 0.000 0.437 85 I N -0.110 120.392 120.570 -0.114 0.000 2.163 85 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 85 I C 2.272 178.092 176.117 -0.494 0.000 1.081 85 I CA 1.028 62.104 61.300 -0.374 0.000 1.353 85 I CB -0.196 37.577 38.000 -0.379 0.000 1.054 85 I HN 0.005 nan 8.210 nan 0.000 0.407 86 V N 0.758 120.532 119.914 -0.234 0.000 2.407 86 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 86 V C 1.980 177.976 176.094 -0.162 0.000 1.055 86 V CA 1.881 64.026 62.300 -0.257 0.000 1.049 86 V CB -0.780 30.905 31.823 -0.230 0.000 0.662 86 V HN 0.391 nan 8.190 nan 0.000 0.455 87 D N 0.654 121.077 120.400 0.038 0.000 2.123 87 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 87 D C 2.431 178.726 176.300 -0.008 0.000 0.992 87 D CA 1.884 55.943 54.000 0.098 0.000 0.833 87 D CB -0.310 40.575 40.800 0.142 0.000 0.954 87 D HN 0.616 nan 8.370 nan 0.000 0.455 88 S N -0.579 115.062 115.700 -0.098 0.000 2.406 88 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 88 S C 2.006 176.595 174.600 -0.018 0.000 1.020 88 S CA 0.365 58.514 58.200 -0.084 0.000 0.965 88 S CB -0.595 62.532 63.200 -0.120 0.000 0.798 88 S HN 0.131 nan 8.310 nan 0.000 0.488 89 Y N 2.483 122.701 120.300 -0.137 0.000 2.070 89 Y HA 0.020 4.570 4.550 -0.000 0.000 0.280 89 Y C 2.446 178.218 175.900 -0.214 0.000 1.148 89 Y CA 0.451 58.423 58.100 -0.213 0.000 1.125 89 Y CB -1.152 37.114 38.460 -0.325 0.000 0.975 89 Y HN 0.226 nan 8.280 nan 0.000 0.492 90 L N -0.759 120.444 121.223 -0.033 0.000 2.046 90 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 90 L C 2.636 179.486 176.870 -0.035 0.000 1.077 90 L CA 1.164 55.962 54.840 -0.071 0.000 0.747 90 L CB -1.087 40.935 42.059 -0.061 0.000 0.896 90 L HN 0.170 nan 8.230 nan 0.000 0.432 91 A N -0.011 122.805 122.820 -0.007 0.000 2.032 91 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 91 A C 2.054 179.629 177.584 -0.015 0.000 1.165 91 A CA 1.467 53.503 52.037 -0.002 0.000 0.645 91 A CB -0.548 18.458 19.000 0.009 0.000 0.807 91 A HN 0.452 nan 8.150 nan 0.000 0.453 92 L N -1.062 120.147 121.223 -0.024 0.000 2.700 92 L HA 0.129 4.469 4.340 -0.000 0.000 0.234 92 L C -0.058 176.759 176.870 -0.089 0.000 1.156 92 L CA -0.231 54.584 54.840 -0.042 0.000 0.946 92 L CB -0.159 41.883 42.059 -0.029 0.000 1.216 92 L HN 0.366 nan 8.230 nan 0.000 0.493 93 N N 0.948 119.587 118.700 -0.102 0.000 2.776 93 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 93 N C -0.414 174.960 175.510 -0.228 0.000 1.111 93 N CA 0.903 53.868 53.050 -0.143 0.000 0.711 93 N CB -1.148 37.270 38.487 -0.115 0.000 1.065 93 N HN 0.355 nan 8.380 nan 0.000 0.556 94 I N 0.126 120.533 120.570 -0.271 0.000 2.608 94 I HA 0.389 4.559 4.170 -0.000 0.000 0.295 94 I C -0.433 175.367 176.117 -0.527 0.000 1.049 94 I CA -0.738 60.309 61.300 -0.421 0.000 1.063 94 I CB 1.269 39.010 38.000 -0.432 0.000 1.248 94 I HN -0.123 nan 8.210 nan 0.000 0.424 95 R N 6.547 126.599 120.500 -0.747 0.000 2.732 95 R HA 0.537 4.877 4.340 -0.000 0.000 0.278 95 R C -2.722 173.051 176.300 -0.879 0.000 0.976 95 R CA -2.070 53.499 56.100 -0.885 0.000 0.963 95 R CB 1.213 30.898 30.300 -1.026 0.000 1.150 95 R HN 0.285 nan 8.270 nan 0.000 0.478 96 P HA 0.126 nan 4.420 nan 0.000 0.276 96 P C -0.846 176.151 177.300 -0.506 0.000 1.230 96 P CA -0.056 62.568 63.100 -0.794 0.000 0.776 96 P CB 0.280 31.393 31.700 -0.979 0.000 0.888 97 F N 4.318 124.020 119.950 -0.413 0.000 2.303 97 F HA 0.285 4.812 4.527 -0.000 0.000 0.368 97 F C 0.240 175.849 175.800 -0.319 0.000 1.105 97 F CA -1.063 56.728 58.000 -0.349 0.000 1.153 97 F CB 0.251 39.070 39.000 -0.302 0.000 1.362 97 F HN 0.093 nan 8.300 nan 0.000 0.511 98 I N 4.532 124.989 120.570 -0.188 0.000 2.588 98 I HA 0.043 4.213 4.170 -0.000 0.000 0.283 98 I C 0.220 176.317 176.117 -0.034 0.000 1.119 98 I CA 0.337 61.518 61.300 -0.198 0.000 1.419 98 I CB 1.058 38.825 38.000 -0.389 0.000 1.394 98 I HN 0.594 nan 8.210 nan 0.000 0.562 99 E N 7.235 127.425 120.200 -0.016 0.000 2.182 99 E HA 0.288 4.638 4.350 -0.000 0.000 0.258 99 E C -1.499 175.160 176.600 0.098 0.000 0.879 99 E CA -0.557 55.895 56.400 0.088 0.000 0.754 99 E CB 0.926 30.694 29.700 0.113 0.000 1.162 99 E HN 0.303 nan 8.360 nan 0.000 0.419 100 F N 3.335 123.494 119.950 0.349 0.000 2.438 100 F HA 0.500 5.027 4.527 -0.000 0.000 0.360 100 F C 1.132 177.165 175.800 0.388 0.000 1.118 100 F CA 0.602 58.825 58.000 0.371 0.000 1.164 100 F CB 1.295 40.563 39.000 0.446 0.000 1.131 100 F HN 0.630 nan 8.300 nan 0.000 0.527 101 G N 2.480 111.512 108.800 0.387 0.000 2.336 101 G HA2 0.232 4.192 3.960 -0.000 0.000 0.300 101 G HA3 0.232 4.192 3.960 -0.000 0.000 0.300 101 G C -1.216 173.613 174.900 -0.118 0.000 1.375 101 G CA -1.116 43.997 45.100 0.022 0.000 0.885 101 G HN 0.235 nan 8.290 nan 0.000 0.599 102 F N -0.297 119.727 119.950 0.123 0.000 2.173 102 F HA 0.739 5.266 4.527 -0.000 0.000 0.219 102 F C 1.216 177.251 175.800 0.392 0.000 0.794 102 F CA -0.242 57.689 58.000 -0.115 0.000 1.131 102 F CB 0.257 39.211 39.000 -0.077 0.000 2.087 102 F HN 0.390 nan 8.300 nan 0.000 0.628 103 M N 2.134 122.198 119.600 0.774 0.000 2.146 103 M HA 0.352 4.832 4.480 -0.000 0.000 0.357 103 M C -2.603 173.971 176.300 0.457 0.000 1.261 103 M CA -2.621 53.080 55.300 0.667 0.000 1.106 103 M CB 0.543 33.470 32.600 0.546 0.000 1.612 103 M HN -0.043 nan 8.290 nan 0.000 0.470 104 P HA 0.098 nan 4.420 nan 0.000 0.271 104 P C -0.045 177.412 177.300 0.263 0.000 1.216 104 P CA -0.042 63.247 63.100 0.315 0.000 0.776 104 P CB 0.545 32.416 31.700 0.285 0.000 0.881 105 K N 2.617 123.163 120.400 0.244 0.000 2.063 105 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 105 K C 1.755 178.463 176.600 0.180 0.000 1.048 105 K CA 1.814 58.212 56.287 0.185 0.000 0.928 105 K CB -0.495 32.096 32.500 0.152 0.000 0.713 105 K HN 0.494 nan 8.250 nan 0.000 0.442 106 A N 0.496 123.462 122.820 0.244 0.000 2.178 106 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 106 A C 1.770 179.509 177.584 0.259 0.000 1.157 106 A CA 1.028 53.227 52.037 0.270 0.000 0.689 106 A CB -0.140 19.078 19.000 0.363 0.000 0.787 106 A HN 0.252 nan 8.150 nan 0.000 0.465 107 L N -1.622 119.703 121.223 0.169 0.000 2.609 107 L HA 0.274 4.614 4.340 -0.000 0.000 0.230 107 L C 1.311 178.214 176.870 0.054 0.000 1.087 107 L CA -0.007 54.865 54.840 0.053 0.000 0.874 107 L CB 0.035 42.036 42.059 -0.098 0.000 1.114 107 L HN 0.364 nan 8.230 nan 0.000 0.488 108 A N 0.028 122.901 122.820 0.088 0.000 2.498 108 A HA 0.151 4.471 4.320 -0.000 0.000 0.239 108 A C 1.343 178.938 177.584 0.018 0.000 1.068 108 A CA 0.568 52.644 52.037 0.065 0.000 0.766 108 A CB 0.405 19.460 19.000 0.093 0.000 1.003 108 A HN 0.385 nan 8.150 nan 0.000 0.497 109 S N 1.582 117.268 115.700 -0.022 0.000 2.478 109 S HA 0.398 4.868 4.470 -0.000 0.000 0.222 109 S C 0.914 175.491 174.600 -0.037 0.000 1.008 109 S CA 0.501 58.677 58.200 -0.040 0.000 0.928 109 S CB -0.126 63.028 63.200 -0.076 0.000 0.781 109 S HN 1.534 nan 8.310 nan 0.000 0.518 110 G N -0.091 108.687 108.800 -0.036 0.000 2.870 110 G HA2 0.514 4.474 3.960 -0.000 0.000 0.299 110 G HA3 0.514 4.474 3.960 -0.000 0.000 0.299 110 G C -1.184 173.704 174.900 -0.020 0.000 1.324 110 G CA -0.336 44.742 45.100 -0.037 0.000 0.808 110 G HN 0.041 nan 8.290 nan 0.000 0.535 111 D N -0.625 119.757 120.400 -0.031 0.000 2.407 111 D HA 0.089 4.729 4.640 -0.000 0.000 0.208 111 D C 0.948 177.223 176.300 -0.042 0.000 1.083 111 D CA 0.062 54.048 54.000 -0.024 0.000 0.844 111 D CB 0.694 41.480 40.800 -0.023 0.000 0.967 111 D HN 0.392 nan 8.370 nan 0.000 0.506 112 Q N 1.716 121.479 119.800 -0.063 0.000 2.300 112 Q HA 0.122 4.462 4.340 -0.000 0.000 0.280 112 Q C -0.139 175.796 176.000 -0.109 0.000 1.033 112 Q CA 0.551 56.297 55.803 -0.095 0.000 0.903 112 Q CB 0.513 29.182 28.738 -0.115 0.000 1.195 112 Q HN 0.143 nan 8.270 nan 0.000 0.386 113 T N -0.113 114.343 114.554 -0.164 0.000 2.887 113 T HA 0.707 5.057 4.350 -0.000 0.000 0.292 113 T C -1.033 173.435 174.700 -0.386 0.000 1.087 113 T CA -0.847 61.116 62.100 -0.228 0.000 1.009 113 T CB 1.748 70.521 68.868 -0.157 0.000 1.203 113 T HN 0.431 nan 8.240 nan 0.000 0.518 114 V N 1.492 121.049 119.914 -0.595 0.000 3.007 114 V HA 0.835 4.955 4.120 -0.000 0.000 0.311 114 V C -1.379 174.234 176.094 -0.801 0.000 1.120 114 V CA -0.921 60.852 62.300 -0.879 0.000 0.980 114 V CB 0.759 31.697 31.823 -1.474 0.000 1.033 114 V HN 1.134 nan 8.190 nan 0.000 0.429 115 F N 3.061 122.724 119.950 -0.479 0.000 2.183 115 F HA -0.247 4.280 4.527 -0.000 0.000 0.318 115 F C 0.529 176.170 175.800 -0.266 0.000 1.285 115 F CA 0.667 58.399 58.000 -0.446 0.000 0.912 115 F CB -0.900 37.510 39.000 -0.983 0.000 4.135 115 F HN 0.822 nan 8.300 nan 0.000 0.137 116 Y N 2.513 122.827 120.300 0.023 0.000 2.193 116 Y HA -0.224 4.326 4.550 -0.000 0.000 0.285 116 Y C 1.903 177.884 175.900 0.134 0.000 1.166 116 Y CA 2.217 60.359 58.100 0.071 0.000 1.181 116 Y CB -0.303 38.230 38.460 0.121 0.000 0.976 116 Y HN 0.483 nan 8.280 nan 0.000 0.520 117 W N 0.612 121.926 121.300 0.024 0.000 3.256 117 W HA 0.265 4.925 4.660 -0.000 0.000 0.269 117 W C -0.096 176.418 176.519 -0.008 0.000 1.310 117 W CA 0.326 57.595 57.345 -0.126 0.000 1.673 117 W CB -0.781 28.669 29.460 -0.016 0.000 1.115 117 W HN 0.052 nan 8.180 nan 0.000 0.686 118 K N 0.843 121.184 120.400 -0.098 0.000 3.239 118 K HA -0.133 4.187 4.320 -0.000 0.000 0.270 118 K C 0.646 177.238 176.600 -0.014 0.000 1.049 118 K CA 0.599 56.828 56.287 -0.095 0.000 0.769 118 K CB -1.707 30.779 32.500 -0.022 0.000 1.305 118 K HN 0.348 nan 8.250 nan 0.000 0.469 119 G N 1.467 110.159 108.800 -0.179 0.000 2.340 119 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.245 119 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.245 119 G C 0.060 174.887 174.900 -0.121 0.000 1.294 119 G CA -0.395 44.724 45.100 0.033 0.000 0.896 119 G HN 0.349 nan 8.290 nan 0.000 0.522 120 N N 1.847 120.616 118.700 0.114 0.000 2.470 120 N HA 0.049 4.789 4.740 -0.000 0.000 0.268 120 N C 0.273 175.922 175.510 0.231 0.000 1.136 120 N CA -0.286 52.831 53.050 0.113 0.000 0.961 120 N CB 1.644 40.232 38.487 0.169 0.000 1.067 120 N HN 0.087 nan 8.380 nan 0.000 0.468 121 V N 2.871 122.874 119.914 0.147 0.000 3.121 121 V HA 0.046 4.166 4.120 -0.000 0.000 0.344 121 V C 0.438 176.725 176.094 0.322 0.000 1.390 121 V CA 0.087 62.598 62.300 0.352 0.000 1.177 121 V CB -0.164 31.657 31.823 -0.004 0.000 1.163 121 V HN 0.833 nan 8.190 nan 0.000 0.484 122 T N -0.934 113.722 114.554 0.171 0.000 2.925 122 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 122 T C -2.797 171.841 174.700 -0.102 0.000 1.021 122 T CA -2.299 59.746 62.100 -0.091 0.000 1.042 122 T CB 2.008 70.817 68.868 -0.098 0.000 1.037 122 T HN 0.013 nan 8.240 nan 0.000 0.481 123 P HA 0.233 nan 4.420 nan 0.000 0.270 123 P C -2.558 174.593 177.300 -0.249 0.000 1.223 123 P CA -1.393 61.564 63.100 -0.238 0.000 0.785 123 P CB -0.848 30.717 31.700 -0.224 0.000 0.923 124 P HA 0.050 nan 4.420 nan 0.000 0.269 124 P C 0.341 177.456 177.300 -0.308 0.000 1.209 124 P CA 0.036 62.906 63.100 -0.383 0.000 0.776 124 P CB 0.535 31.900 31.700 -0.558 0.000 0.876 125 K N 1.072 121.390 120.400 -0.137 0.000 2.505 125 K HA 0.037 4.357 4.320 -0.000 0.000 0.192 125 K C -0.378 176.204 176.600 -0.030 0.000 1.025 125 K CA 0.449 56.698 56.287 -0.063 0.000 1.086 125 K CB -0.283 32.209 32.500 -0.013 0.000 0.840 125 K HN 0.389 nan 8.250 nan 0.000 0.514 126 D N -1.591 118.767 120.400 -0.070 0.000 2.400 126 D HA -0.006 4.634 4.640 -0.000 0.000 0.197 126 D C -0.328 175.974 176.300 0.004 0.000 1.295 126 D CA -0.433 53.584 54.000 0.029 0.000 0.878 126 D CB -0.289 40.549 40.800 0.063 0.000 1.659 126 D HN -0.099 nan 8.370 nan 0.000 0.546 127 Y N 2.213 122.564 120.300 0.086 0.000 2.293 127 Y HA -0.086 4.464 4.550 -0.000 0.000 0.291 127 Y C 2.019 178.017 175.900 0.164 0.000 1.137 127 Y CA 1.054 59.227 58.100 0.123 0.000 1.202 127 Y CB 0.025 38.527 38.460 0.071 0.000 0.990 127 Y HN 0.419 nan 8.280 nan 0.000 0.537 128 N N 0.083 118.924 118.700 0.234 0.000 2.309 128 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 128 N C 1.508 177.099 175.510 0.135 0.000 1.018 128 N CA 1.165 54.312 53.050 0.162 0.000 0.876 128 N CB -0.197 38.364 38.487 0.122 0.000 0.972 128 N HN 0.393 nan 8.380 nan 0.000 0.434 129 K N -0.249 120.232 120.400 0.135 0.000 2.103 129 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 129 K C 1.879 178.535 176.600 0.094 0.000 1.052 129 K CA 0.422 56.783 56.287 0.125 0.000 0.945 129 K CB -0.080 32.487 32.500 0.112 0.000 0.722 129 K HN 0.301 nan 8.250 nan 0.000 0.443 130 W N 2.843 124.092 121.300 -0.085 0.000 2.333 130 W HA -0.233 4.427 4.660 -0.000 0.000 0.316 130 W C 1.961 178.439 176.519 -0.068 0.000 1.215 130 W CA 1.482 58.762 57.345 -0.109 0.000 1.278 130 W CB -0.272 29.100 29.460 -0.147 0.000 1.154 130 W HN 0.039 nan 8.180 nan 0.000 0.486 131 R N 0.645 121.199 120.500 0.090 0.000 2.112 131 R HA -0.237 4.103 4.340 -0.000 0.000 0.242 131 R C 1.708 177.921 176.300 -0.144 0.000 1.137 131 R CA 2.650 58.727 56.100 -0.039 0.000 0.944 131 R CB -0.796 29.545 30.300 0.068 0.000 0.857 131 R HN 0.037 nan 8.270 nan 0.000 0.435 132 D N 0.618 120.987 120.400 -0.050 0.000 2.218 132 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 132 D C 1.815 178.033 176.300 -0.137 0.000 0.976 132 D CA 0.618 54.593 54.000 -0.041 0.000 0.853 132 D CB -0.177 40.677 40.800 0.090 0.000 0.939 132 D HN 0.300 nan 8.370 nan 0.000 0.481 133 L N 0.157 121.275 121.223 -0.175 0.000 2.056 133 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 133 L C 2.092 178.696 176.870 -0.444 0.000 1.078 133 L CA 0.939 55.620 54.840 -0.265 0.000 0.749 133 L CB -0.098 41.791 42.059 -0.284 0.000 0.901 133 L HN -0.032 nan 8.230 nan 0.000 0.433 134 I N -1.018 119.200 120.570 -0.587 0.000 2.179 134 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 134 I C 2.418 178.301 176.117 -0.389 0.000 1.088 134 I CA 0.982 61.901 61.300 -0.634 0.000 1.357 134 I CB -0.251 37.240 38.000 -0.847 0.000 1.051 134 I HN 0.016 nan 8.210 nan 0.000 0.409 135 V N 0.778 120.502 119.914 -0.316 0.000 2.343 135 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 135 V C 2.661 178.612 176.094 -0.239 0.000 1.051 135 V CA 2.054 64.218 62.300 -0.227 0.000 1.036 135 V CB -1.061 30.663 31.823 -0.165 0.000 0.654 135 V HN 0.513 nan 8.190 nan 0.000 0.451 136 A N -0.498 122.116 122.820 -0.342 0.000 1.902 136 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 136 A C 2.391 179.821 177.584 -0.257 0.000 1.181 136 A CA 2.058 53.850 52.037 -0.409 0.000 0.623 136 A CB -0.649 17.709 19.000 -1.070 0.000 0.818 136 A HN 0.329 nan 8.150 nan 0.000 0.443 137 V N -0.360 119.413 119.914 -0.236 0.000 2.358 137 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 137 V C 2.599 178.453 176.094 -0.401 0.000 1.047 137 V CA 1.925 64.102 62.300 -0.206 0.000 1.035 137 V CB -0.599 31.200 31.823 -0.039 0.000 0.658 137 V HN 0.378 nan 8.190 nan 0.000 0.452 138 V N 0.130 119.958 119.914 -0.143 0.000 2.343 138 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 138 V C 2.511 178.580 176.094 -0.041 0.000 1.051 138 V CA 2.356 64.663 62.300 0.013 0.000 1.036 138 V CB -0.802 31.014 31.823 -0.012 0.000 0.654 138 V HN 0.592 nan 8.190 nan 0.000 0.451 139 S N -1.195 114.434 115.700 -0.118 0.000 2.383 139 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 139 S C 1.957 176.458 174.600 -0.165 0.000 1.026 139 S CA 1.354 59.485 58.200 -0.115 0.000 0.981 139 S CB -0.566 62.566 63.200 -0.113 0.000 0.818 139 S HN 0.721 nan 8.310 nan 0.000 0.472 140 H N 0.757 119.599 119.070 -0.379 0.000 2.352 140 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 140 H C 1.752 176.917 175.328 -0.272 0.000 1.097 140 H CA 1.638 57.352 56.048 -0.557 0.000 1.311 140 H CB -0.354 28.595 29.762 -1.355 0.000 1.377 140 H HN 0.497 nan 8.280 nan 0.000 0.504 141 F N 0.296 120.201 119.950 -0.075 0.000 2.102 141 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 141 F C 2.839 178.611 175.800 -0.047 0.000 1.105 141 F CA 0.560 58.624 58.000 0.107 0.000 1.239 141 F CB -0.151 39.015 39.000 0.276 0.000 0.991 141 F HN 0.073 nan 8.300 nan 0.000 0.474 142 I N 0.350 120.972 120.570 0.086 0.000 2.163 142 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 142 I C 2.196 178.250 176.117 -0.104 0.000 1.085 142 I CA 1.545 62.825 61.300 -0.033 0.000 1.347 142 I CB -0.504 37.468 38.000 -0.045 0.000 1.044 142 I HN 0.148 nan 8.210 nan 0.000 0.408 143 E N 0.267 120.361 120.200 -0.177 0.000 2.070 143 E HA -0.302 4.048 4.350 -0.000 0.000 0.197 143 E C 2.303 178.721 176.600 -0.304 0.000 1.004 143 E CA 1.511 57.772 56.400 -0.232 0.000 0.805 143 E CB -0.187 29.345 29.700 -0.280 0.000 0.744 143 E HN 0.390 nan 8.360 nan 0.000 0.451 144 R N -0.414 119.804 120.500 -0.470 0.000 2.100 144 R HA -0.074 4.266 4.340 -0.000 0.000 0.220 144 R C 1.225 177.148 176.300 -0.628 0.000 1.091 144 R CA 1.113 56.822 56.100 -0.652 0.000 0.986 144 R CB 0.132 29.850 30.300 -0.971 0.000 0.888 144 R HN 0.226 nan 8.270 nan 0.000 0.444 145 Y N -0.719 119.544 120.300 -0.061 0.000 2.430 145 Y HA 0.395 4.945 4.550 -0.000 0.000 0.248 145 Y C 0.620 176.468 175.900 -0.087 0.000 1.108 145 Y CA 0.130 58.205 58.100 -0.041 0.000 1.264 145 Y CB 1.400 39.863 38.460 0.006 0.000 1.172 145 Y HN 0.296 nan 8.280 nan 0.000 0.520 146 G N 0.939 109.731 108.800 -0.013 0.000 2.721 146 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 146 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 146 G C 0.058 174.914 174.900 -0.072 0.000 1.236 146 G CA -0.262 44.814 45.100 -0.040 0.000 0.786 146 G HN 0.154 nan 8.290 nan 0.000 0.616 147 I N 0.683 121.216 120.570 -0.063 0.000 2.394 147 I HA -0.014 4.156 4.170 -0.000 0.000 0.251 147 I C 2.267 178.337 176.117 -0.078 0.000 1.136 147 I CA 2.519 63.779 61.300 -0.067 0.000 1.425 147 I CB -0.280 37.703 38.000 -0.029 0.000 1.079 147 I HN 0.844 nan 8.210 nan 0.000 0.425 148 E N 0.096 120.261 120.200 -0.058 0.000 2.047 148 E HA -0.306 4.044 4.350 -0.000 0.000 0.191 148 E C 2.099 178.650 176.600 -0.082 0.000 0.987 148 E CA 1.307 57.678 56.400 -0.048 0.000 0.799 148 E CB -0.180 29.504 29.700 -0.027 0.000 0.752 148 E HN 0.512 nan 8.360 nan 0.000 0.449 149 E N 0.418 120.556 120.200 -0.104 0.000 2.023 149 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 149 E C 2.006 178.313 176.600 -0.488 0.000 1.003 149 E CA 1.972 58.273 56.400 -0.165 0.000 0.809 149 E CB -0.368 29.286 29.700 -0.077 0.000 0.755 149 E HN 0.209 nan 8.360 nan 0.000 0.449 150 V N 0.830 120.345 119.914 -0.666 0.000 2.759 150 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 150 V C 2.280 178.131 176.094 -0.406 0.000 1.080 150 V CA 1.806 63.474 62.300 -1.052 0.000 1.101 150 V CB -0.578 30.853 31.823 -0.653 0.000 0.698 150 V HN 0.223 nan 8.190 nan 0.000 0.477 151 R N 0.666 121.066 120.500 -0.167 0.000 2.241 151 R HA -0.117 4.223 4.340 -0.000 0.000 0.224 151 R C 2.280 178.621 176.300 0.068 0.000 1.101 151 R CA 1.664 57.778 56.100 0.022 0.000 0.995 151 R CB -0.436 29.889 30.300 0.042 0.000 0.870 151 R HN 0.747 nan 8.270 nan 0.000 0.463 152 T N -2.804 111.768 114.554 0.030 0.000 3.113 152 T HA -0.003 4.347 4.350 -0.000 0.000 0.256 152 T C 0.367 175.291 174.700 0.373 0.000 1.131 152 T CA -0.181 62.028 62.100 0.182 0.000 1.074 152 T CB 0.038 69.003 68.868 0.162 0.000 0.944 152 T HN 0.046 nan 8.240 nan 0.000 0.516 153 W N 1.004 122.295 121.300 -0.015 0.000 2.166 153 W HA 0.750 5.410 4.660 -0.000 0.000 0.364 153 W C -0.133 176.121 176.519 -0.442 0.000 1.344 153 W CA -2.156 55.059 57.345 -0.216 0.000 1.471 153 W CB 0.054 29.257 29.460 -0.429 0.000 1.220 153 W HN 0.047 nan 8.180 nan 0.000 0.666 154 L N 0.579 121.434 121.223 -0.614 0.000 2.388 154 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 154 L C -1.177 175.240 176.870 -0.754 0.000 0.998 154 L CA -0.716 53.686 54.840 -0.730 0.000 0.817 154 L CB 1.679 42.816 42.059 -1.538 0.000 1.338 154 L HN 0.049 nan 8.230 nan 0.000 0.414 155 F N 0.481 120.535 119.950 0.173 0.000 2.553 155 F HA 0.429 4.956 4.527 -0.000 0.000 0.335 155 F C 0.011 176.112 175.800 0.501 0.000 1.148 155 F CA -0.518 57.634 58.000 0.253 0.000 0.963 155 F CB 1.774 40.961 39.000 0.311 0.000 1.217 155 F HN 0.375 nan 8.300 nan 0.000 0.441 156 E N 2.459 123.049 120.200 0.649 0.000 2.191 156 E HA 0.650 5.000 4.350 -0.000 0.000 0.274 156 E C -1.410 175.539 176.600 0.583 0.000 0.948 156 E CA -0.783 56.017 56.400 0.667 0.000 0.802 156 E CB 1.826 31.913 29.700 0.645 0.000 1.137 156 E HN 0.406 nan 8.360 nan 0.000 0.397 157 V N 6.284 126.563 119.914 0.609 0.000 2.364 157 V HA 0.198 4.318 4.120 -0.000 0.000 0.272 157 V C 0.229 176.737 176.094 0.689 0.000 1.036 157 V CA -0.380 62.332 62.300 0.686 0.000 0.880 157 V CB -0.231 31.977 31.823 0.641 0.000 0.991 157 V HN 0.820 nan 8.190 nan 0.000 0.460 158 W N 3.541 125.047 121.300 0.343 0.000 3.028 158 W HA -0.263 4.397 4.660 -0.000 0.000 0.210 158 W C -0.112 176.436 176.519 0.050 0.000 0.619 158 W CA 1.004 58.454 57.345 0.175 0.000 0.469 158 W CB -0.212 29.331 29.460 0.140 0.000 2.728 158 W HN 0.810 nan 8.180 nan 0.000 0.408 159 N N 0.482 119.164 118.700 -0.030 0.000 2.493 159 N HA 0.216 4.956 4.740 -0.000 0.000 0.279 159 N C -1.196 174.208 175.510 -0.176 0.000 1.082 159 N CA 0.291 53.241 53.050 -0.167 0.000 0.963 159 N CB 0.933 39.196 38.487 -0.373 0.000 1.627 159 N HN 0.346 nan 8.380 nan 0.000 0.499 160 E N 1.634 121.632 120.200 -0.338 0.000 2.103 160 E HA -0.179 4.171 4.350 -0.000 0.000 0.186 160 E C -1.697 174.766 176.600 -0.229 0.000 1.392 160 E CA 0.324 56.476 56.400 -0.413 0.000 0.691 160 E CB -0.528 28.846 29.700 -0.544 0.000 1.068 160 E HN 0.592 nan 8.360 nan 0.000 0.328 161 P HA -0.175 nan 4.420 nan 0.000 0.234 161 P C 0.709 177.697 177.300 -0.520 0.000 1.167 161 P CA 1.041 63.928 63.100 -0.356 0.000 0.763 161 P CB 0.061 31.173 31.700 -0.980 0.000 0.835 162 N N -0.000 118.081 118.700 -1.031 0.000 2.461 162 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 162 N C 0.160 175.473 175.510 -0.329 0.000 1.134 162 N CA 0.241 52.614 53.050 -1.130 0.000 0.878 162 N CB -0.294 37.173 38.487 -1.699 0.000 0.972 162 N HN 0.230 nan 8.380 nan 0.000 0.456 163 L N 0.987 122.138 121.223 -0.120 0.000 2.333 163 L HA 0.306 4.646 4.340 -0.000 0.000 0.280 163 L C 1.252 178.186 176.870 0.105 0.000 1.004 163 L CA -0.760 54.098 54.840 0.030 0.000 0.820 163 L CB 2.521 44.659 42.059 0.132 0.000 1.247 163 L HN -0.281 nan 8.230 nan 0.000 0.416 164 V N 1.809 121.748 119.914 0.042 0.000 2.568 164 V HA -0.268 3.852 4.120 -0.000 0.000 0.253 164 V C 1.983 178.040 176.094 -0.061 0.000 1.072 164 V CA 1.684 63.989 62.300 0.008 0.000 1.084 164 V CB -0.758 31.050 31.823 -0.023 0.000 0.676 164 V HN 0.810 nan 8.190 nan 0.000 0.469 165 N N -0.060 118.556 118.700 -0.140 0.000 2.289 165 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 165 N C 1.540 176.674 175.510 -0.627 0.000 1.016 165 N CA 1.547 54.343 53.050 -0.424 0.000 0.872 165 N CB -0.177 37.936 38.487 -0.623 0.000 0.973 165 N HN 0.529 nan 8.380 nan 0.000 0.433 166 F N -1.556 118.352 119.950 -0.070 0.000 2.731 166 F HA 0.278 4.805 4.527 -0.000 0.000 0.298 166 F C 0.622 176.718 175.800 0.493 0.000 1.106 166 F CA -0.281 57.738 58.000 0.031 0.000 1.329 166 F CB 0.636 39.664 39.000 0.047 0.000 1.100 166 F HN 0.035 nan 8.300 nan 0.000 0.592 167 W N 1.948 123.390 121.300 0.237 0.000 3.544 167 W HA 0.207 4.867 4.660 -0.000 0.000 0.326 167 W C -1.139 175.407 176.519 0.046 0.000 1.137 167 W CA -1.338 56.126 57.345 0.199 0.000 1.252 167 W CB 0.881 30.440 29.460 0.165 0.000 1.302 167 W HN -0.391 nan 8.180 nan 0.000 0.467 168 K N 5.928 126.069 120.400 -0.432 0.000 2.473 168 K HA -0.121 4.199 4.320 -0.000 0.000 0.277 168 K C 0.502 176.857 176.600 -0.408 0.000 1.052 168 K CA 1.686 57.721 56.287 -0.420 0.000 1.114 168 K CB 0.329 32.541 32.500 -0.481 0.000 0.869 168 K HN 0.593 nan 8.250 nan 0.000 0.481 169 D N 2.492 122.775 120.400 -0.195 0.000 2.978 169 D HA -0.265 4.375 4.640 -0.000 0.000 0.205 169 D C 0.103 176.398 176.300 -0.009 0.000 1.093 169 D CA 1.252 55.186 54.000 -0.110 0.000 1.006 169 D CB -1.342 39.377 40.800 -0.135 0.000 1.116 169 D HN 0.924 nan 8.370 nan 0.000 0.419 170 A N -0.022 122.833 122.820 0.059 0.000 2.640 170 A HA -0.308 4.012 4.320 -0.000 0.000 0.300 170 A C 0.386 178.213 177.584 0.405 0.000 1.499 170 A CA 1.177 53.400 52.037 0.309 0.000 0.759 170 A CB -1.741 17.398 19.000 0.233 0.000 1.048 170 A HN 0.442 nan 8.150 nan 0.000 0.450 171 N N 0.475 119.305 118.700 0.217 0.000 2.402 171 N HA 0.110 4.850 4.740 -0.000 0.000 0.259 171 N C 0.988 176.651 175.510 0.255 0.000 1.167 171 N CA 0.621 53.741 53.050 0.116 0.000 0.949 171 N CB 0.563 38.987 38.487 -0.105 0.000 1.212 171 N HN 0.621 nan 8.380 nan 0.000 0.493 172 K N 2.666 123.012 120.400 -0.091 0.000 2.009 172 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 172 K C 1.037 177.109 176.600 -0.879 0.000 1.049 172 K CA 1.267 57.059 56.287 -0.824 0.000 0.929 172 K CB 0.257 31.968 32.500 -1.315 0.000 0.714 172 K HN 0.528 nan 8.250 nan 0.000 0.440 173 Q N 0.420 119.903 119.800 -0.529 0.000 2.123 173 Q HA -0.165 4.175 4.340 -0.000 0.000 0.199 173 Q C 1.910 177.803 176.000 -0.179 0.000 0.966 173 Q CA 1.340 56.911 55.803 -0.386 0.000 0.845 173 Q CB -0.174 28.473 28.738 -0.152 0.000 0.907 173 Q HN 0.367 nan 8.270 nan 0.000 0.439 174 E N 0.041 120.231 120.200 -0.017 0.000 2.110 174 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 174 E C 1.751 178.542 176.600 0.317 0.000 0.988 174 E CA 0.815 57.304 56.400 0.148 0.000 0.804 174 E CB -0.304 29.490 29.700 0.156 0.000 0.745 174 E HN 0.383 nan 8.360 nan 0.000 0.458 175 Y N -0.205 120.239 120.300 0.239 0.000 2.224 175 Y HA -0.174 4.376 4.550 -0.000 0.000 0.289 175 Y C 1.624 177.533 175.900 0.015 0.000 1.146 175 Y CA 1.812 59.843 58.100 -0.115 0.000 1.182 175 Y CB -0.375 37.951 38.460 -0.222 0.000 0.983 175 Y HN 0.115 nan 8.280 nan 0.000 0.524 176 F N 0.123 119.879 119.950 -0.323 0.000 2.186 176 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 176 F C 2.533 178.050 175.800 -0.472 0.000 1.090 176 F CA 0.985 58.564 58.000 -0.703 0.000 1.307 176 F CB -0.250 37.864 39.000 -1.477 0.000 1.019 176 F HN -0.021 nan 8.300 nan 0.000 0.489 177 K N 1.189 121.529 120.400 -0.100 0.000 2.009 177 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 177 K C 2.122 178.660 176.600 -0.105 0.000 1.049 177 K CA 1.216 57.451 56.287 -0.086 0.000 0.929 177 K CB -0.420 31.951 32.500 -0.216 0.000 0.714 177 K HN 0.207 nan 8.250 nan 0.000 0.440 178 L N 0.477 121.645 121.223 -0.092 0.000 2.013 178 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 178 L C 2.303 179.103 176.870 -0.116 0.000 1.073 178 L CA 1.996 56.786 54.840 -0.082 0.000 0.753 178 L CB -0.625 41.209 42.059 -0.377 0.000 0.890 178 L HN 0.384 nan 8.230 nan 0.000 0.432 179 Y N 1.227 121.298 120.300 -0.383 0.000 2.040 179 Y HA -0.386 4.164 4.550 -0.000 0.000 0.275 179 Y C 2.742 178.673 175.900 0.053 0.000 1.171 179 Y CA 2.598 60.591 58.100 -0.180 0.000 1.123 179 Y CB -0.311 38.026 38.460 -0.206 0.000 0.963 179 Y HN 0.410 nan 8.280 nan 0.000 0.493 180 E N -0.652 119.611 120.200 0.105 0.000 2.072 180 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 180 E C 2.037 178.629 176.600 -0.012 0.000 0.985 180 E CA 1.673 58.123 56.400 0.083 0.000 0.801 180 E CB -0.354 29.505 29.700 0.265 0.000 0.750 180 E HN 0.354 nan 8.360 nan 0.000 0.452 181 V N 1.237 121.176 119.914 0.041 0.000 2.287 181 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 181 V C 2.410 178.550 176.094 0.077 0.000 1.053 181 V CA 2.331 64.697 62.300 0.109 0.000 1.027 181 V CB -0.891 31.107 31.823 0.292 0.000 0.646 181 V HN 0.449 nan 8.190 nan 0.000 0.447 182 T N 0.203 114.803 114.554 0.077 0.000 2.812 182 T HA -0.044 4.306 4.350 -0.000 0.000 0.264 182 T C 2.040 176.642 174.700 -0.164 0.000 1.042 182 T CA 1.381 63.483 62.100 0.005 0.000 1.140 182 T CB -0.394 68.575 68.868 0.168 0.000 0.870 182 T HN 0.553 nan 8.240 nan 0.000 0.445 183 A N 1.845 124.475 122.820 -0.316 0.000 1.969 183 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 183 A C 2.396 179.887 177.584 -0.156 0.000 1.169 183 A CA 0.949 52.803 52.037 -0.306 0.000 0.635 183 A CB -0.372 18.277 19.000 -0.586 0.000 0.810 183 A HN 0.363 nan 8.150 nan 0.000 0.445 184 R N -0.582 119.843 120.500 -0.123 0.000 2.119 184 R HA 0.047 4.387 4.340 -0.000 0.000 0.222 184 R C 2.438 178.687 176.300 -0.085 0.000 1.088 184 R CA 0.954 57.007 56.100 -0.078 0.000 0.984 184 R CB -0.380 29.892 30.300 -0.047 0.000 0.884 184 R HN 0.490 nan 8.270 nan 0.000 0.447 185 A N 0.976 123.736 122.820 -0.100 0.000 1.902 185 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 185 A C 2.351 179.839 177.584 -0.160 0.000 1.181 185 A CA 1.305 53.264 52.037 -0.130 0.000 0.623 185 A CB -0.506 18.390 19.000 -0.174 0.000 0.818 185 A HN 0.084 nan 8.150 nan 0.000 0.443 186 V N 0.646 120.455 119.914 -0.176 0.000 2.295 186 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 186 V C 2.466 178.470 176.094 -0.150 0.000 1.049 186 V CA 2.124 64.310 62.300 -0.191 0.000 1.024 186 V CB -0.621 31.090 31.823 -0.186 0.000 0.648 186 V HN 0.440 nan 8.190 nan 0.000 0.447 187 K N 1.015 121.351 120.400 -0.108 0.000 2.147 187 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 187 K C 2.421 178.966 176.600 -0.092 0.000 1.049 187 K CA 1.710 57.944 56.287 -0.089 0.000 0.936 187 K CB -0.764 31.698 32.500 -0.064 0.000 0.722 187 K HN 0.685 nan 8.250 nan 0.000 0.446 188 S N 0.450 116.097 115.700 -0.089 0.000 2.423 188 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 188 S C 2.169 176.719 174.600 -0.083 0.000 1.014 188 S CA 0.972 59.126 58.200 -0.078 0.000 0.965 188 S CB -0.435 62.724 63.200 -0.069 0.000 0.785 188 S HN -0.003 nan 8.310 nan 0.000 0.495 189 V N 1.400 121.254 119.914 -0.099 0.000 2.302 189 V HA 0.130 4.250 4.120 -0.000 0.000 0.243 189 V C 0.905 176.947 176.094 -0.088 0.000 1.036 189 V CA 1.530 63.772 62.300 -0.096 0.000 1.020 189 V CB -0.464 31.292 31.823 -0.112 0.000 0.657 189 V HN 0.632 nan 8.190 nan 0.000 0.453 190 D N -1.084 119.257 120.400 -0.098 0.000 2.977 190 D HA 0.192 4.832 4.640 -0.000 0.000 0.220 190 D C -2.377 173.847 176.300 -0.125 0.000 1.267 190 D CA -1.223 52.718 54.000 -0.097 0.000 0.884 190 D CB 2.729 43.495 40.800 -0.057 0.000 1.667 190 D HN -0.000 nan 8.370 nan 0.000 0.536 191 P HA -0.032 nan 4.420 nan 0.000 0.229 191 P C 0.564 177.713 177.300 -0.253 0.000 1.160 191 P CA 0.839 63.788 63.100 -0.251 0.000 0.777 191 P CB 0.238 31.736 31.700 -0.337 0.000 0.814 192 H N -0.932 118.155 119.070 0.028 0.000 2.539 192 H HA 0.205 4.761 4.556 -0.000 0.000 0.267 192 H C 0.870 176.251 175.328 0.088 0.000 0.982 192 H CA -0.482 55.599 56.048 0.054 0.000 1.146 192 H CB -0.354 29.434 29.762 0.044 0.000 1.382 192 H HN 0.058 nan 8.280 nan 0.000 0.577 193 L N 2.378 123.685 121.223 0.140 0.000 2.462 193 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 193 L C 0.195 177.218 176.870 0.254 0.000 1.166 193 L CA 0.027 54.981 54.840 0.190 0.000 0.880 193 L CB 0.468 42.521 42.059 -0.011 0.000 1.142 193 L HN 0.263 nan 8.230 nan 0.000 0.473 194 Q N 3.412 123.453 119.800 0.402 0.000 2.274 194 Q HA 0.396 4.736 4.340 -0.000 0.000 0.256 194 Q C -0.581 175.758 176.000 0.565 0.000 0.927 194 Q CA -0.181 55.870 55.803 0.415 0.000 0.939 194 Q CB 2.606 31.566 28.738 0.371 0.000 1.201 194 Q HN 0.442 nan 8.270 nan 0.000 0.426 195 V N 1.377 121.526 119.914 0.391 0.000 2.823 195 V HA 0.941 5.061 4.120 -0.000 0.000 0.312 195 V C -0.470 175.574 176.094 -0.084 0.000 1.072 195 V CA -0.214 62.270 62.300 0.308 0.000 0.937 195 V CB 2.111 34.075 31.823 0.235 0.000 1.013 195 V HN 0.896 nan 8.190 nan 0.000 0.430 196 G N 2.543 111.124 108.800 -0.365 0.000 2.600 196 G HA2 0.832 4.792 3.960 -0.000 0.000 0.293 196 G HA3 0.832 4.792 3.960 -0.000 0.000 0.293 196 G C -0.554 174.260 174.900 -0.143 0.000 1.408 196 G CA 0.009 44.610 45.100 -0.832 0.000 0.782 196 G HN 1.528 nan 8.290 nan 0.000 0.482 197 G N -1.616 107.075 108.800 -0.182 0.000 2.428 197 G HA2 0.654 4.614 3.960 -0.000 0.000 0.304 197 G HA3 0.654 4.614 3.960 -0.000 0.000 0.304 197 G C -2.844 171.715 174.900 -0.568 0.000 1.303 197 G CA -0.028 44.923 45.100 -0.249 0.000 0.825 197 G HN 0.519 nan 8.290 nan 0.000 0.484 198 P HA 0.324 nan 4.420 nan 0.000 0.268 198 P C 0.709 177.777 177.300 -0.386 0.000 1.329 198 P CA 0.998 63.736 63.100 -0.603 0.000 0.899 198 P CB 1.001 32.330 31.700 -0.618 0.000 1.378 199 A N 0.412 123.058 122.820 -0.291 0.000 2.846 199 A HA -0.188 4.132 4.320 -0.000 0.000 0.287 199 A C 0.405 177.592 177.584 -0.662 0.000 1.469 199 A CA 0.658 52.473 52.037 -0.370 0.000 0.757 199 A CB -2.752 16.154 19.000 -0.156 0.000 1.033 199 A HN 0.492 nan 8.150 nan 0.000 0.516 200 I N -2.227 117.993 120.570 -0.582 0.000 2.713 200 I HA 0.655 4.825 4.170 -0.000 0.000 0.300 200 I C 1.067 176.867 176.117 -0.529 0.000 1.009 200 I CA -0.739 60.215 61.300 -0.577 0.000 1.305 200 I CB 1.049 38.766 38.000 -0.473 0.000 1.430 200 I HN 0.771 nan 8.210 nan 0.000 0.546 201 C N 2.831 121.905 119.300 -0.377 0.000 2.396 201 C HA 0.839 5.299 4.460 -0.000 0.000 0.359 201 C C 1.159 176.101 174.990 -0.080 0.000 1.307 201 C CA -0.234 58.693 59.018 -0.151 0.000 2.392 201 C CB 0.106 27.809 27.740 -0.062 0.000 2.245 201 C HN 1.108 nan 8.230 nan 0.000 0.615 202 G N -0.479 108.349 108.800 0.046 0.000 2.699 202 G HA2 0.455 4.415 3.960 -0.000 0.000 0.246 202 G HA3 0.455 4.415 3.960 -0.000 0.000 0.246 202 G C 1.148 176.070 174.900 0.037 0.000 1.219 202 G CA 0.303 45.443 45.100 0.067 0.000 0.866 202 G HN 2.605 nan 8.290 nan 0.000 0.572 203 G N -1.619 107.212 108.800 0.051 0.000 2.159 203 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.256 203 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.256 203 G C 0.700 175.625 174.900 0.040 0.000 0.977 203 G CA 1.110 46.239 45.100 0.048 0.000 0.652 203 G HN 2.190 nan 8.290 nan 0.000 0.531 204 S N -0.921 114.799 115.700 0.032 0.000 2.686 204 S HA 0.365 4.835 4.470 -0.000 0.000 0.223 204 S C 0.336 175.025 174.600 0.148 0.000 0.885 204 S CA 0.477 58.728 58.200 0.084 0.000 1.115 204 S CB 0.631 63.842 63.200 0.018 0.000 1.459 204 S HN 0.009 nan 8.310 nan 0.000 0.444 205 D N 1.993 122.466 120.400 0.121 0.000 2.378 205 D HA -0.052 4.588 4.640 -0.000 0.000 0.222 205 D C 1.545 177.952 176.300 0.179 0.000 0.980 205 D CA 0.518 54.599 54.000 0.135 0.000 0.907 205 D CB 0.117 40.974 40.800 0.095 0.000 0.899 205 D HN 0.749 nan 8.370 nan 0.000 0.527 206 E N -0.410 119.907 120.200 0.194 0.000 2.114 206 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 206 E C 1.616 178.369 176.600 0.255 0.000 1.008 206 E CA 1.170 57.684 56.400 0.190 0.000 0.810 206 E CB -0.022 29.779 29.700 0.169 0.000 0.739 206 E HN 0.348 nan 8.360 nan 0.000 0.456 207 W N 0.519 121.882 121.300 0.105 0.000 2.342 207 W HA -0.187 4.473 4.660 -0.000 0.000 0.297 207 W C 2.068 178.714 176.519 0.213 0.000 1.213 207 W CA 0.597 58.041 57.345 0.166 0.000 1.251 207 W CB -0.283 29.217 29.460 0.066 0.000 1.136 207 W HN 0.181 nan 8.180 nan 0.000 0.526 208 I N -0.515 120.270 120.570 0.358 0.000 2.179 208 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 208 I C 2.534 178.826 176.117 0.291 0.000 1.088 208 I CA 2.252 63.729 61.300 0.296 0.000 1.357 208 I CB -2.031 36.084 38.000 0.191 0.000 1.051 208 I HN 0.059 nan 8.210 nan 0.000 0.409 209 T N 0.293 114.979 114.554 0.220 0.000 2.821 209 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 209 T C 1.484 176.292 174.700 0.180 0.000 1.046 209 T CA 1.676 63.879 62.100 0.170 0.000 1.139 209 T CB -0.160 68.776 68.868 0.113 0.000 0.871 209 T HN 0.221 nan 8.240 nan 0.000 0.454 210 D N 0.288 120.810 120.400 0.204 0.000 2.144 210 D HA -0.017 4.623 4.640 -0.000 0.000 0.200 210 D C 1.613 178.004 176.300 0.151 0.000 0.978 210 D CA 0.783 54.914 54.000 0.218 0.000 0.833 210 D CB -0.622 40.315 40.800 0.229 0.000 0.961 210 D HN 0.512 nan 8.370 nan 0.000 0.470 211 F N 1.502 121.437 119.950 -0.025 0.000 2.134 211 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 211 F C 1.985 177.646 175.800 -0.232 0.000 1.097 211 F CA 1.133 58.886 58.000 -0.412 0.000 1.264 211 F CB -0.323 38.638 39.000 -0.066 0.000 1.001 211 F HN -0.126 nan 8.300 nan 0.000 0.479 212 L N -0.631 120.504 121.223 -0.148 0.000 2.109 212 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 212 L C 2.543 179.424 176.870 0.019 0.000 1.086 212 L CA 1.617 56.374 54.840 -0.139 0.000 0.760 212 L CB -1.116 41.019 42.059 0.127 0.000 0.910 212 L HN 0.251 nan 8.230 nan 0.000 0.437 213 H N -0.068 118.986 119.070 -0.026 0.000 2.387 213 H HA -0.286 4.270 4.556 -0.000 0.000 0.299 213 H C 2.031 177.324 175.328 -0.058 0.000 1.099 213 H CA 2.074 58.111 56.048 -0.018 0.000 1.315 213 H CB -0.129 29.640 29.762 0.013 0.000 1.380 213 H HN 0.285 nan 8.280 nan 0.000 0.513 214 F N 0.170 119.956 119.950 -0.274 0.000 2.113 214 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 214 F C 2.303 177.895 175.800 -0.346 0.000 1.103 214 F CA 1.458 59.245 58.000 -0.354 0.000 1.248 214 F CB -0.922 37.694 39.000 -0.640 0.000 0.999 214 F HN 0.294 nan 8.300 nan 0.000 0.475 215 C N 0.870 119.959 119.300 -0.352 0.000 2.413 215 C HA -0.138 4.322 4.460 -0.000 0.000 0.276 215 C C 3.180 178.078 174.990 -0.153 0.000 1.248 215 C CA 1.241 60.058 59.018 -0.334 0.000 1.742 215 C CB -1.873 25.571 27.740 -0.493 0.000 2.017 215 C HN 0.672 nan 8.230 nan 0.000 0.481 216 A N 0.223 123.034 122.820 -0.015 0.000 1.873 216 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 216 A C 2.100 179.550 177.584 -0.224 0.000 1.186 216 A CA 1.522 53.523 52.037 -0.059 0.000 0.616 216 A CB -0.632 18.253 19.000 -0.193 0.000 0.823 216 A HN 0.671 nan 8.150 nan 0.000 0.442 217 E N -0.495 119.485 120.200 -0.366 0.000 2.085 217 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 217 E C 1.648 178.056 176.600 -0.320 0.000 0.994 217 E CA 1.129 57.309 56.400 -0.366 0.000 0.801 217 E CB -0.104 29.321 29.700 -0.459 0.000 0.743 217 E HN 0.508 nan 8.360 nan 0.000 0.453 218 R N 0.127 120.370 120.500 -0.428 0.000 2.393 218 R HA 0.186 4.526 4.340 -0.000 0.000 0.244 218 R C -0.191 175.961 176.300 -0.246 0.000 0.920 218 R CA -0.115 55.757 56.100 -0.379 0.000 1.076 218 R CB 0.325 30.260 30.300 -0.608 0.000 1.119 218 R HN 0.083 nan 8.270 nan 0.000 0.524 219 R N 0.427 120.818 120.500 -0.183 0.000 3.188 219 R HA -0.118 4.221 4.340 -0.000 0.000 0.247 219 R C -0.702 175.555 176.300 -0.073 0.000 0.918 219 R CA 0.332 56.382 56.100 -0.084 0.000 0.629 219 R CB -2.289 27.971 30.300 -0.066 0.000 1.087 219 R HN -0.044 nan 8.270 nan 0.000 0.462 220 V N 1.241 121.099 119.914 -0.092 0.000 2.439 220 V HA 0.289 4.409 4.120 -0.000 0.000 0.282 220 V C -1.517 174.577 176.094 0.000 0.000 1.039 220 V CA -2.123 60.159 62.300 -0.030 0.000 0.913 220 V CB 1.608 33.444 31.823 0.022 0.000 0.983 220 V HN 0.106 nan 8.190 nan 0.000 0.460 221 P HA 0.162 nan 4.420 nan 0.000 0.263 221 P C -0.932 176.407 177.300 0.065 0.000 1.195 221 P CA 0.256 63.369 63.100 0.021 0.000 0.762 221 P CB 0.356 32.069 31.700 0.022 0.000 0.799 222 V N 1.900 121.756 119.914 -0.096 0.000 2.623 222 V HA 0.335 4.455 4.120 -0.000 0.000 0.304 222 V C 0.073 176.096 176.094 -0.118 0.000 1.054 222 V CA -0.429 61.791 62.300 -0.134 0.000 0.882 222 V CB 2.341 33.851 31.823 -0.522 0.000 1.002 222 V HN 0.369 nan 8.190 nan 0.000 0.424 223 D N 2.480 122.879 120.400 -0.002 0.000 2.449 223 D HA 0.271 4.911 4.640 -0.000 0.000 0.210 223 D C -0.104 176.370 176.300 0.290 0.000 1.094 223 D CA 0.974 55.062 54.000 0.148 0.000 0.846 223 D CB 1.415 42.366 40.800 0.253 0.000 1.003 223 D HN 0.599 nan 8.370 nan 0.000 0.504 224 F N -1.336 118.714 119.950 0.167 0.000 2.741 224 F HA 0.559 5.086 4.527 -0.000 0.000 0.311 224 F C -1.681 174.244 175.800 0.210 0.000 1.149 224 F CA -1.313 56.798 58.000 0.184 0.000 0.930 224 F CB 0.867 40.043 39.000 0.293 0.000 1.312 224 F HN -0.383 nan 8.300 nan 0.000 0.450 225 V N 1.964 122.123 119.914 0.409 0.000 2.667 225 V HA 0.826 4.946 4.120 -0.000 0.000 0.308 225 V C -0.552 175.783 176.094 0.402 0.000 1.048 225 V CA -0.134 62.337 62.300 0.284 0.000 0.928 225 V CB 1.893 33.836 31.823 0.199 0.000 1.004 225 V HN 1.111 nan 8.190 nan 0.000 0.444 226 S N 4.778 120.629 115.700 0.251 0.000 2.549 226 S HA 0.892 5.362 4.470 -0.000 0.000 0.280 226 S C -0.999 173.598 174.600 -0.004 0.000 1.109 226 S CA -0.903 57.425 58.200 0.214 0.000 0.905 226 S CB 2.785 66.200 63.200 0.359 0.000 1.081 226 S HN 0.664 nan 8.310 nan 0.000 0.477 227 R N 0.749 121.227 120.500 -0.037 0.000 2.629 227 R HA 0.345 4.685 4.340 -0.000 0.000 0.266 227 R C -1.715 174.565 176.300 -0.033 0.000 1.051 227 R CA -0.358 55.663 56.100 -0.131 0.000 0.895 227 R CB 1.712 31.982 30.300 -0.049 0.000 1.246 227 R HN 1.048 nan 8.270 nan 0.000 0.459 228 H N 0.197 119.229 119.070 -0.063 0.000 2.502 228 H HA 0.753 5.309 4.556 -0.000 0.000 0.338 228 H C -0.456 174.884 175.328 0.020 0.000 1.155 228 H CA -0.957 55.057 56.048 -0.056 0.000 1.237 228 H CB 2.095 31.840 29.762 -0.028 0.000 1.534 228 H HN 0.615 nan 8.280 nan 0.000 0.523 229 A N 2.565 125.440 122.820 0.092 0.000 2.408 229 A HA 0.581 4.901 4.320 -0.000 0.000 0.295 229 A C -1.833 175.713 177.584 -0.063 0.000 1.040 229 A CA -0.463 51.666 52.037 0.153 0.000 0.707 229 A CB 0.643 19.852 19.000 0.347 0.000 1.235 229 A HN 0.632 nan 8.150 nan 0.000 0.418 230 Y N -0.166 120.295 120.300 0.268 0.000 2.615 230 Y HA 0.571 5.121 4.550 -0.000 0.000 0.341 230 Y C 1.098 177.125 175.900 0.212 0.000 1.089 230 Y CA 0.025 58.280 58.100 0.258 0.000 1.049 230 Y CB 2.683 41.339 38.460 0.327 0.000 1.296 230 Y HN 0.665 nan 8.280 nan 0.000 0.470 231 T N -3.440 111.308 114.554 0.323 0.000 3.231 231 T HA 0.199 4.549 4.350 -0.000 0.000 0.292 231 T C -0.225 174.557 174.700 0.136 0.000 1.001 231 T CA -0.258 61.971 62.100 0.216 0.000 0.920 231 T CB -0.423 68.578 68.868 0.223 0.000 1.140 231 T HN 0.464 nan 8.240 nan 0.000 0.525 232 S N 1.278 117.032 115.700 0.091 0.000 2.554 232 S HA 0.543 5.013 4.470 -0.000 0.000 0.278 232 S C -0.039 174.564 174.600 0.006 0.000 1.242 232 S CA -0.953 57.217 58.200 -0.051 0.000 1.051 232 S CB 1.415 64.441 63.200 -0.291 0.000 0.986 232 S HN 0.346 nan 8.310 nan 0.000 0.502 233 K N 1.181 121.599 120.400 0.030 0.000 2.120 233 K HA 0.481 4.801 4.320 -0.000 0.000 0.245 233 K C 0.629 177.277 176.600 0.080 0.000 1.024 233 K CA -0.367 55.970 56.287 0.084 0.000 0.906 233 K CB 0.358 32.908 32.500 0.083 0.000 1.051 233 K HN 0.846 nan 8.250 nan 0.000 0.491 234 A N 2.306 125.203 122.820 0.129 0.000 2.555 234 A HA 0.112 4.432 4.320 -0.000 0.000 0.233 234 A C -2.132 175.485 177.584 0.054 0.000 1.060 234 A CA -0.802 51.305 52.037 0.117 0.000 0.759 234 A CB -0.716 18.340 19.000 0.094 0.000 0.995 234 A HN 0.347 nan 8.150 nan 0.000 0.506 235 P HA 0.072 nan 4.420 nan 0.000 0.268 235 P C 0.351 177.628 177.300 -0.038 0.000 1.204 235 P CA 0.327 63.363 63.100 -0.106 0.000 0.768 235 P CB 0.282 31.786 31.700 -0.326 0.000 0.842 236 H N 2.128 121.204 119.070 0.010 0.000 2.575 236 H HA 0.339 4.895 4.556 -0.000 0.000 0.267 236 H C 0.103 175.457 175.328 0.044 0.000 0.966 236 H CA 0.144 56.204 56.048 0.019 0.000 1.165 236 H CB 0.833 30.607 29.762 0.019 0.000 1.433 236 H HN 0.288 nan 8.280 nan 0.000 0.544 237 K N 0.984 121.258 120.400 -0.210 0.000 2.543 237 K HA 0.328 4.648 4.320 -0.000 0.000 0.255 237 K C -1.377 175.252 176.600 0.048 0.000 0.934 237 K CA -0.598 55.680 56.287 -0.014 0.000 0.810 237 K CB 2.638 35.171 32.500 0.056 0.000 1.315 237 K HN 0.070 nan 8.250 nan 0.000 0.433 238 K N 1.611 122.070 120.400 0.098 0.000 2.375 238 K HA 0.495 4.815 4.320 -0.000 0.000 0.249 238 K C -0.789 175.932 176.600 0.202 0.000 0.942 238 K CA -0.907 55.480 56.287 0.165 0.000 0.806 238 K CB 2.351 34.910 32.500 0.098 0.000 1.227 238 K HN 0.466 nan 8.250 nan 0.000 0.430 239 T N 0.544 115.218 114.554 0.201 0.000 2.888 239 T HA 0.260 4.610 4.350 -0.000 0.000 0.288 239 T C 0.579 175.341 174.700 0.104 0.000 1.063 239 T CA -0.696 61.496 62.100 0.152 0.000 1.010 239 T CB 0.450 69.391 68.868 0.121 0.000 1.214 239 T HN 0.585 nan 8.240 nan 0.000 0.533 240 F N 0.219 120.179 119.950 0.016 0.000 2.451 240 F HA 0.228 4.755 4.527 -0.000 0.000 0.299 240 F C 1.468 177.206 175.800 -0.104 0.000 1.101 240 F CA 1.041 59.029 58.000 -0.021 0.000 1.436 240 F CB -0.149 38.838 39.000 -0.021 0.000 1.074 240 F HN 0.501 nan 8.300 nan 0.000 0.553 241 E N -1.615 118.071 120.200 -0.857 0.000 2.421 241 E HA 0.178 4.528 4.350 -0.000 0.000 0.209 241 E C -0.613 175.573 176.600 -0.690 0.000 0.871 241 E CA 0.007 55.794 56.400 -1.022 0.000 1.064 241 E CB 0.428 29.114 29.700 -1.689 0.000 1.075 241 E HN 0.423 nan 8.360 nan 0.000 0.513 242 Y N -0.609 119.494 120.300 -0.328 0.000 2.512 242 Y HA 0.384 4.934 4.550 -0.000 0.000 0.348 242 Y C -0.934 174.872 175.900 -0.156 0.000 0.990 242 Y CA -1.471 56.403 58.100 -0.376 0.000 1.033 242 Y CB 1.478 39.578 38.460 -0.601 0.000 1.259 242 Y HN -0.125 nan 8.280 nan 0.000 0.461 243 Y N 1.639 121.822 120.300 -0.194 0.000 2.335 243 Y HA 0.362 4.912 4.550 -0.000 0.000 0.338 243 Y C -0.948 174.743 175.900 -0.348 0.000 0.977 243 Y CA -1.990 55.991 58.100 -0.198 0.000 1.114 243 Y CB 0.701 39.098 38.460 -0.105 0.000 1.182 243 Y HN 0.493 nan 8.280 nan 0.000 0.463 244 Y N 2.397 122.656 120.300 -0.068 0.000 2.360 244 Y HA 0.545 5.095 4.550 -0.000 0.000 0.337 244 Y C -0.053 175.632 175.900 -0.358 0.000 1.039 244 Y CA -0.605 57.354 58.100 -0.234 0.000 1.109 244 Y CB 1.668 39.929 38.460 -0.330 0.000 1.201 244 Y HN 0.455 nan 8.280 nan 0.000 0.458 245 Q N 1.932 121.739 119.800 0.012 0.000 2.345 245 Q HA 0.216 4.556 4.340 -0.000 0.000 0.275 245 Q C -1.211 174.895 176.000 0.177 0.000 1.063 245 Q CA -1.077 54.771 55.803 0.074 0.000 0.819 245 Q CB 3.014 31.714 28.738 -0.064 0.000 1.356 245 Q HN 0.669 nan 8.270 nan 0.000 0.418 246 E N 2.833 123.170 120.200 0.229 0.000 2.390 246 E HA 0.286 4.636 4.350 -0.000 0.000 0.261 246 E C -1.158 175.471 176.600 0.049 0.000 1.076 246 E CA -0.164 56.297 56.400 0.102 0.000 0.905 246 E CB 0.706 30.425 29.700 0.032 0.000 0.984 246 E HN 0.454 nan 8.360 nan 0.000 0.427 247 L N 2.754 124.002 121.223 0.040 0.000 2.365 247 L HA 0.371 4.711 4.340 -0.000 0.000 0.273 247 L C -0.240 176.688 176.870 0.097 0.000 1.000 247 L CA -0.989 53.878 54.840 0.045 0.000 0.819 247 L CB 1.906 43.971 42.059 0.010 0.000 1.284 247 L HN 0.648 nan 8.230 nan 0.000 0.418 248 E N 3.643 123.917 120.200 0.123 0.000 2.390 248 E HA 0.201 4.551 4.350 -0.000 0.000 0.261 248 E C -2.216 174.519 176.600 0.225 0.000 1.076 248 E CA -1.155 55.329 56.400 0.141 0.000 0.905 248 E CB 0.578 30.353 29.700 0.126 0.000 0.984 248 E HN 0.266 nan 8.360 nan 0.000 0.427 249 P HA 0.014 nan 4.420 nan 0.000 0.272 249 P C -2.269 175.042 177.300 0.018 0.000 1.230 249 P CA -1.190 61.972 63.100 0.104 0.000 0.788 249 P CB 0.237 31.957 31.700 0.034 0.000 0.949 250 P HA -0.137 nan 4.420 nan 0.000 0.219 250 P C 1.478 178.662 177.300 -0.193 0.000 1.146 250 P CA 1.370 64.219 63.100 -0.419 0.000 0.808 250 P CB -0.092 31.193 31.700 -0.692 0.000 0.779 251 E N -0.179 119.942 120.200 -0.132 0.000 2.160 251 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 251 E C 1.526 178.069 176.600 -0.095 0.000 0.991 251 E CA 1.058 57.398 56.400 -0.101 0.000 0.810 251 E CB -0.564 29.101 29.700 -0.058 0.000 0.742 251 E HN 0.342 nan 8.360 nan 0.000 0.466 252 D N 0.226 120.600 120.400 -0.045 0.000 2.144 252 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 252 D C 1.972 178.242 176.300 -0.050 0.000 0.984 252 D CA 0.750 54.739 54.000 -0.019 0.000 0.834 252 D CB -0.129 40.696 40.800 0.042 0.000 0.955 252 D HN 0.201 nan 8.370 nan 0.000 0.465 253 M N 0.242 119.794 119.600 -0.080 0.000 2.067 253 M HA -0.146 4.334 4.480 -0.000 0.000 0.260 253 M C 2.195 178.179 176.300 -0.526 0.000 1.069 253 M CA 1.206 56.385 55.300 -0.202 0.000 1.117 253 M CB -0.020 32.475 32.600 -0.176 0.000 1.334 253 M HN -0.051 nan 8.290 nan 0.000 0.407 254 L N -0.305 120.579 121.223 -0.565 0.000 2.042 254 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 254 L C 2.344 178.949 176.870 -0.442 0.000 1.076 254 L CA 1.492 55.968 54.840 -0.606 0.000 0.749 254 L CB -0.945 40.921 42.059 -0.321 0.000 0.893 254 L HN 0.414 nan 8.230 nan 0.000 0.432 255 E N -0.185 119.845 120.200 -0.283 0.000 2.118 255 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 255 E C 2.258 178.787 176.600 -0.119 0.000 0.992 255 E CA 1.201 57.483 56.400 -0.197 0.000 0.804 255 E CB -0.003 29.630 29.700 -0.113 0.000 0.741 255 E HN 0.573 nan 8.360 nan 0.000 0.458 256 Q N -0.364 119.399 119.800 -0.061 0.000 2.030 256 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 256 Q C 2.098 178.201 176.000 0.171 0.000 0.986 256 Q CA 1.476 57.324 55.803 0.073 0.000 0.843 256 Q CB -0.218 28.614 28.738 0.156 0.000 0.904 256 Q HN 0.260 nan 8.270 nan 0.000 0.420 257 F N 1.221 121.090 119.950 -0.135 0.000 2.069 257 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 257 F C 2.202 177.898 175.800 -0.174 0.000 1.113 257 F CA 1.196 59.120 58.000 -0.126 0.000 1.214 257 F CB -0.801 38.134 39.000 -0.109 0.000 0.978 257 F HN 0.011 nan 8.300 nan 0.000 0.474 258 K N -0.460 119.816 120.400 -0.208 0.000 2.032 258 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 258 K C 2.075 178.617 176.600 -0.096 0.000 1.048 258 K CA 2.009 58.108 56.287 -0.314 0.000 0.927 258 K CB -0.567 31.625 32.500 -0.514 0.000 0.712 258 K HN 0.171 nan 8.250 nan 0.000 0.441 259 T N 0.979 115.495 114.554 -0.064 0.000 2.652 259 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 259 T C 1.942 176.657 174.700 0.025 0.000 1.039 259 T CA 1.670 63.764 62.100 -0.010 0.000 1.153 259 T CB -0.240 68.629 68.868 0.001 0.000 0.863 259 T HN -0.033 nan 8.240 nan 0.000 0.428 260 V N 1.672 121.611 119.914 0.043 0.000 2.392 260 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 260 V C 2.506 178.632 176.094 0.053 0.000 1.059 260 V CA 1.774 64.106 62.300 0.053 0.000 1.051 260 V CB -0.689 31.164 31.823 0.049 0.000 0.658 260 V HN 0.258 nan 8.190 nan 0.000 0.455 261 R N 1.259 121.790 120.500 0.051 0.000 2.092 261 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 261 R C 2.150 178.484 176.300 0.058 0.000 1.119 261 R CA 1.758 57.895 56.100 0.063 0.000 0.970 261 R CB -0.895 29.463 30.300 0.096 0.000 0.864 261 R HN 0.444 nan 8.270 nan 0.000 0.440 262 A N 0.519 123.365 122.820 0.044 0.000 1.902 262 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 262 A C 2.209 179.818 177.584 0.042 0.000 1.181 262 A CA 1.492 53.552 52.037 0.038 0.000 0.623 262 A CB -0.636 18.378 19.000 0.023 0.000 0.818 262 A HN 0.353 nan 8.150 nan 0.000 0.443 263 L N -0.554 120.699 121.223 0.050 0.000 2.079 263 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 263 L C 2.422 179.335 176.870 0.070 0.000 1.081 263 L CA 1.386 56.263 54.840 0.062 0.000 0.752 263 L CB -0.541 41.565 42.059 0.078 0.000 0.896 263 L HN 0.383 nan 8.230 nan 0.000 0.433 264 I N -0.852 119.763 120.570 0.075 0.000 2.353 264 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 264 I C 2.786 178.935 176.117 0.053 0.000 1.119 264 I CA 0.904 62.256 61.300 0.086 0.000 1.417 264 I CB -0.238 37.818 38.000 0.092 0.000 1.078 264 I HN 0.173 nan 8.210 nan 0.000 0.421 265 R N 0.865 121.387 120.500 0.037 0.000 2.081 265 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 265 R C 2.085 178.379 176.300 -0.011 0.000 1.131 265 R CA 1.487 57.592 56.100 0.008 0.000 0.960 265 R CB -0.045 30.272 30.300 0.028 0.000 0.856 265 R HN 0.251 nan 8.270 nan 0.000 0.436 266 Q N -0.015 119.791 119.800 0.009 0.000 2.515 266 Q HA 0.010 4.350 4.340 -0.000 0.000 0.212 266 Q C 0.235 176.236 176.000 0.001 0.000 0.970 266 Q CA 0.556 56.362 55.803 0.005 0.000 0.941 266 Q CB 0.520 29.270 28.738 0.019 0.000 0.998 266 Q HN 0.271 nan 8.270 nan 0.000 0.518 267 S N -1.244 114.459 115.700 0.005 0.000 2.745 267 S HA 0.384 4.854 4.470 -0.000 0.000 0.292 267 S C -1.956 172.610 174.600 -0.058 0.000 1.133 267 S CA -1.476 56.736 58.200 0.019 0.000 0.998 267 S CB 1.035 64.292 63.200 0.094 0.000 1.087 267 S HN -0.174 nan 8.310 nan 0.000 0.551 268 P HA 0.117 nan 4.420 nan 0.000 0.228 268 P C -0.426 176.492 177.300 -0.637 0.000 1.151 268 P CA 0.957 63.831 63.100 -0.378 0.000 0.770 268 P CB -0.222 31.183 31.700 -0.492 0.000 0.786 269 F N 0.030 119.938 119.950 -0.071 0.000 2.471 269 F HA 0.314 4.841 4.527 -0.000 0.000 0.318 269 F C -1.426 174.312 175.800 -0.103 0.000 1.308 269 F CA -2.178 55.783 58.000 -0.066 0.000 1.162 269 F CB 0.948 39.927 39.000 -0.035 0.000 1.383 269 F HN -0.087 nan 8.300 nan 0.000 0.552 270 P HA -0.141 nan 4.420 nan 0.000 0.225 270 P C 0.457 177.608 177.300 -0.248 0.000 1.148 270 P CA 1.580 64.527 63.100 -0.255 0.000 0.779 270 P CB 0.005 31.438 31.700 -0.444 0.000 0.780 271 H N -1.474 117.659 119.070 0.105 0.000 2.542 271 H HA 0.267 4.823 4.556 -0.000 0.000 0.283 271 H C 0.759 176.145 175.328 0.096 0.000 1.059 271 H CA -0.623 55.476 56.048 0.086 0.000 1.162 271 H CB -0.288 29.518 29.762 0.073 0.000 1.539 271 H HN 0.022 nan 8.280 nan 0.000 0.543 272 L N 3.168 124.505 121.223 0.190 0.000 2.559 272 L HA 0.060 4.400 4.340 -0.000 0.000 0.274 272 L C -1.879 175.059 176.870 0.113 0.000 1.205 272 L CA -1.774 53.163 54.840 0.163 0.000 0.907 272 L CB 0.238 42.386 42.059 0.148 0.000 1.153 272 L HN 0.013 nan 8.230 nan 0.000 0.490 273 P HA -0.015 nan 4.420 nan 0.000 0.265 273 P C -0.698 176.551 177.300 -0.085 0.000 1.187 273 P CA 0.127 63.195 63.100 -0.054 0.000 0.766 273 P CB 0.522 32.174 31.700 -0.079 0.000 0.820 274 L N 4.316 125.403 121.223 -0.227 0.000 2.325 274 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 274 L C -0.479 176.199 176.870 -0.321 0.000 1.004 274 L CA -0.597 54.152 54.840 -0.152 0.000 0.823 274 L CB 0.643 42.651 42.059 -0.085 0.000 1.236 274 L HN 0.462 nan 8.230 nan 0.000 0.415 275 H N 6.258 125.355 119.070 0.044 0.000 2.587 275 H HA 0.335 4.891 4.556 -0.000 0.000 0.325 275 H C -0.318 174.989 175.328 -0.034 0.000 1.012 275 H CA -0.719 55.321 56.048 -0.013 0.000 1.213 275 H CB 2.235 31.998 29.762 0.002 0.000 1.431 275 H HN 0.382 nan 8.280 nan 0.000 0.492 276 I N 4.216 124.791 120.570 0.008 0.000 2.294 276 I HA -0.040 4.130 4.170 -0.000 0.000 0.295 276 I C 1.669 177.819 176.117 0.055 0.000 1.098 276 I CA 0.082 61.354 61.300 -0.047 0.000 1.277 276 I CB 0.191 38.004 38.000 -0.312 0.000 1.434 276 I HN 0.590 nan 8.210 nan 0.000 0.498 277 T N 2.006 116.590 114.554 0.050 0.000 3.081 277 T HA 0.194 4.544 4.350 -0.000 0.000 0.255 277 T C 0.538 175.126 174.700 -0.186 0.000 1.113 277 T CA 0.202 62.238 62.100 -0.106 0.000 1.082 277 T CB 0.176 68.938 68.868 -0.176 0.000 0.939 277 T HN 0.570 nan 8.240 nan 0.000 0.506 278 E N 0.349 120.442 120.200 -0.179 0.000 2.308 278 E HA 0.535 4.885 4.350 -0.000 0.000 0.275 278 E C -1.729 174.737 176.600 -0.223 0.000 0.890 278 E CA -1.190 54.979 56.400 -0.385 0.000 0.754 278 E CB 2.165 31.269 29.700 -0.993 0.000 1.207 278 E HN 0.568 nan 8.360 nan 0.000 0.426 279 Y N 0.775 120.863 120.300 -0.354 0.000 2.588 279 Y HA 0.743 5.293 4.550 -0.000 0.000 0.343 279 Y C -1.152 174.482 175.900 -0.444 0.000 1.065 279 Y CA -0.678 57.134 58.100 -0.480 0.000 1.038 279 Y CB 2.021 40.484 38.460 0.006 0.000 1.297 279 Y HN 0.626 nan 8.280 nan 0.000 0.467 280 N N -1.108 117.331 118.700 -0.434 0.000 3.261 280 N HA 0.210 4.950 4.740 -0.000 0.000 0.248 280 N C 0.146 175.782 175.510 0.210 0.000 1.498 280 N CA -0.109 52.880 53.050 -0.103 0.000 0.884 280 N CB 1.506 39.969 38.487 -0.039 0.000 1.428 280 N HN 0.883 nan 8.380 nan 0.000 0.517 281 T N -1.689 112.988 114.554 0.204 0.000 2.668 281 T HA -0.019 4.331 4.350 -0.000 0.000 0.262 281 T C 0.998 175.810 174.700 0.186 0.000 1.045 281 T CA 1.069 63.176 62.100 0.012 0.000 1.152 281 T CB -0.370 68.328 68.868 -0.284 0.000 0.864 281 T HN 0.314 nan 8.240 nan 0.000 0.419 282 S N 0.762 116.648 115.700 0.310 0.000 2.501 282 S HA 0.456 4.926 4.470 -0.000 0.000 0.301 282 S C 0.265 175.072 174.600 0.345 0.000 1.096 282 S CA -1.012 57.247 58.200 0.099 0.000 1.063 282 S CB 1.092 64.161 63.200 -0.218 0.000 1.042 282 S HN 0.512 nan 8.310 nan 0.000 0.494 283 Y N 2.467 122.806 120.300 0.065 0.000 2.471 283 Y HA 0.441 4.991 4.550 -0.000 0.000 0.286 283 Y C 0.702 176.769 175.900 0.277 0.000 1.188 283 Y CA -0.718 57.179 58.100 -0.339 0.000 1.286 283 Y CB -0.906 36.926 38.460 -1.048 0.000 1.072 283 Y HN 0.470 nan 8.280 nan 0.000 0.517 284 S N 3.063 118.967 115.700 0.340 0.000 2.442 284 S HA 0.361 4.831 4.470 -0.000 0.000 0.297 284 S C -1.941 172.431 174.600 -0.381 0.000 1.131 284 S CA -1.753 56.557 58.200 0.183 0.000 1.092 284 S CB 1.186 64.448 63.200 0.104 0.000 0.998 284 S HN 0.125 nan 8.310 nan 0.000 0.478 285 P HA 0.151 nan 4.420 nan 0.000 0.253 285 P C 0.351 177.389 177.300 -0.438 0.000 1.281 285 P CA 0.293 62.755 63.100 -1.063 0.000 0.792 285 P CB -0.687 30.705 31.700 -0.513 0.000 1.193 286 I N -4.452 115.937 120.570 -0.302 0.000 3.241 286 I HA 0.431 4.601 4.170 -0.000 0.000 0.333 286 I C -0.361 175.660 176.117 -0.159 0.000 1.534 286 I CA -0.715 60.481 61.300 -0.174 0.000 0.979 286 I CB -0.097 37.764 38.000 -0.231 0.000 1.497 286 I HN -0.283 nan 8.210 nan 0.000 0.530 287 N N 3.040 121.593 118.700 -0.245 0.000 2.469 287 N HA 0.401 5.141 4.740 -0.000 0.000 0.253 287 N C -1.912 173.337 175.510 -0.436 0.000 0.970 287 N CA -2.252 50.582 53.050 -0.360 0.000 0.940 287 N CB 2.015 40.258 38.487 -0.407 0.000 1.128 287 N HN -0.067 nan 8.380 nan 0.000 0.503 288 P HA -0.155 nan 4.420 nan 0.000 0.222 288 P C 1.397 178.401 177.300 -0.494 0.000 1.142 288 P CA 0.805 63.640 63.100 -0.442 0.000 0.788 288 P CB 0.173 31.632 31.700 -0.402 0.000 0.767 289 V N -2.991 116.653 119.914 -0.451 0.000 2.469 289 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 289 V C 2.115 177.981 176.094 -0.380 0.000 1.064 289 V CA 1.892 63.940 62.300 -0.421 0.000 1.066 289 V CB -1.903 29.698 31.823 -0.369 0.000 0.667 289 V HN 0.204 nan 8.190 nan 0.000 0.461 290 H N 0.818 119.723 119.070 -0.274 0.000 2.489 290 H HA -0.048 4.508 4.556 -0.000 0.000 0.293 290 H C 1.650 176.831 175.328 -0.244 0.000 1.066 290 H CA 1.673 57.603 56.048 -0.196 0.000 1.305 290 H CB -0.244 29.401 29.762 -0.195 0.000 1.386 290 H HN 0.546 nan 8.280 nan 0.000 0.551 291 D N 0.655 120.859 120.400 -0.327 0.000 2.340 291 D HA -0.009 4.631 4.640 -0.000 0.000 0.220 291 D C 1.019 176.944 176.300 -0.626 0.000 1.039 291 D CA 0.287 54.009 54.000 -0.464 0.000 0.866 291 D CB 0.351 40.729 40.800 -0.704 0.000 0.913 291 D HN 0.407 nan 8.370 nan 0.000 0.523 292 T N -3.425 110.804 114.554 -0.541 0.000 2.952 292 T HA 0.603 4.953 4.350 -0.000 0.000 0.286 292 T C 1.407 176.031 174.700 -0.128 0.000 1.024 292 T CA -0.445 61.379 62.100 -0.460 0.000 1.029 292 T CB 2.242 70.795 68.868 -0.526 0.000 1.094 292 T HN -0.148 nan 8.240 nan 0.000 0.515 293 A N 0.752 123.565 122.820 -0.011 0.000 1.972 293 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 293 A C 2.150 179.781 177.584 0.078 0.000 1.169 293 A CA 1.633 53.713 52.037 0.072 0.000 0.635 293 A CB -1.101 17.965 19.000 0.111 0.000 0.810 293 A HN 0.956 nan 8.150 nan 0.000 0.446 294 L N 0.126 121.377 121.223 0.047 0.000 2.042 294 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 294 L C 2.137 179.075 176.870 0.114 0.000 1.076 294 L CA 2.285 57.175 54.840 0.083 0.000 0.749 294 L CB -0.472 41.615 42.059 0.047 0.000 0.893 294 L HN 0.515 nan 8.230 nan 0.000 0.432 295 N N -0.396 118.334 118.700 0.049 0.000 2.188 295 N HA -0.178 4.562 4.740 -0.000 0.000 0.184 295 N C 1.798 177.392 175.510 0.140 0.000 1.018 295 N CA 1.176 54.275 53.050 0.080 0.000 0.858 295 N CB 0.037 38.549 38.487 0.042 0.000 0.989 295 N HN 0.548 nan 8.380 nan 0.000 0.426 296 A N 1.121 124.005 122.820 0.106 0.000 1.858 296 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 296 A C 2.382 180.019 177.584 0.088 0.000 1.190 296 A CA 1.905 53.999 52.037 0.095 0.000 0.617 296 A CB -0.979 18.086 19.000 0.109 0.000 0.827 296 A HN 0.408 nan 8.150 nan 0.000 0.443 297 A N -1.855 121.046 122.820 0.136 0.000 1.933 297 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 297 A C 2.151 179.765 177.584 0.050 0.000 1.175 297 A CA 1.634 53.760 52.037 0.147 0.000 0.628 297 A CB -0.817 18.312 19.000 0.215 0.000 0.814 297 A HN 0.705 nan 8.150 nan 0.000 0.444 298 Y N 0.223 120.524 120.300 0.003 0.000 2.145 298 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 298 Y C 2.134 177.985 175.900 -0.081 0.000 1.145 298 Y CA 1.770 59.864 58.100 -0.009 0.000 1.148 298 Y CB 0.004 38.494 38.460 0.050 0.000 0.981 298 Y HN 0.235 nan 8.280 nan 0.000 0.507 299 I N 0.156 120.858 120.570 0.220 0.000 2.315 299 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 299 I C 2.666 178.632 176.117 -0.251 0.000 1.117 299 I CA 1.354 62.733 61.300 0.130 0.000 1.404 299 I CB -1.940 36.154 38.000 0.155 0.000 1.071 299 I HN 0.346 nan 8.210 nan 0.000 0.419 300 A N 1.154 123.717 122.820 -0.428 0.000 1.892 300 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 300 A C 2.453 179.336 177.584 -1.168 0.000 1.188 300 A CA 2.381 53.972 52.037 -0.742 0.000 0.631 300 A CB -0.683 17.976 19.000 -0.569 0.000 0.822 300 A HN 0.332 nan 8.150 nan 0.000 0.447 301 R N 0.018 119.771 120.500 -1.243 0.000 2.091 301 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 301 R C 1.719 177.782 176.300 -0.394 0.000 1.136 301 R CA 2.105 57.733 56.100 -0.786 0.000 0.959 301 R CB -0.805 29.281 30.300 -0.358 0.000 0.856 301 R HN 0.540 nan 8.270 nan 0.000 0.437 302 I N 0.199 120.575 120.570 -0.323 0.000 2.202 302 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 302 I C 2.087 178.136 176.117 -0.114 0.000 1.091 302 I CA 1.143 62.317 61.300 -0.209 0.000 1.368 302 I CB -0.275 37.668 38.000 -0.094 0.000 1.058 302 I HN 0.134 nan 8.210 nan 0.000 0.410 303 L N -0.394 120.698 121.223 -0.219 0.000 2.081 303 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 303 L C 2.671 179.488 176.870 -0.088 0.000 1.080 303 L CA 1.540 56.194 54.840 -0.310 0.000 0.754 303 L CB -0.768 40.392 42.059 -1.498 0.000 0.893 303 L HN 0.263 nan 8.230 nan 0.000 0.433 304 S N -0.838 114.800 115.700 -0.104 0.000 2.402 304 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 304 S C 1.725 176.526 174.600 0.335 0.000 1.021 304 S CA 1.595 59.982 58.200 0.311 0.000 0.974 304 S CB 0.075 63.426 63.200 0.251 0.000 0.800 304 S HN 0.501 nan 8.310 nan 0.000 0.484 305 E N -1.439 118.842 120.200 0.135 0.000 2.536 305 E HA 0.199 4.549 4.350 -0.000 0.000 0.220 305 E C 1.903 178.455 176.600 -0.080 0.000 0.876 305 E CA 0.338 56.771 56.400 0.055 0.000 1.190 305 E CB -0.012 29.720 29.700 0.054 0.000 1.191 305 E HN 0.487 nan 8.360 nan 0.000 0.557 306 G N 1.066 109.757 108.800 -0.181 0.000 2.450 306 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 306 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 306 G C 1.468 176.145 174.900 -0.371 0.000 1.130 306 G CA 0.907 45.740 45.100 -0.445 0.000 0.760 306 G HN 0.347 nan 8.290 nan 0.000 0.557 307 G N 0.535 109.273 108.800 -0.103 0.000 2.498 307 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.219 307 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.219 307 G C 1.291 176.114 174.900 -0.128 0.000 1.119 307 G CA 0.994 46.136 45.100 0.069 0.000 0.766 307 G HN 0.338 nan 8.290 nan 0.000 0.552 308 D N -0.292 119.904 120.400 -0.340 0.000 2.264 308 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 308 D C 1.356 177.305 176.300 -0.585 0.000 0.966 308 D CA 0.875 54.538 54.000 -0.561 0.000 0.864 308 D CB -0.080 40.168 40.800 -0.919 0.000 0.933 308 D HN 0.620 nan 8.370 nan 0.000 0.499 309 Y N -0.543 119.764 120.300 0.013 0.000 2.444 309 Y HA 0.163 4.713 4.550 -0.000 0.000 0.252 309 Y C 0.857 176.737 175.900 -0.032 0.000 1.091 309 Y CA -0.535 57.576 58.100 0.018 0.000 1.276 309 Y CB 0.945 39.455 38.460 0.083 0.000 1.170 309 Y HN -0.227 nan 8.280 nan 0.000 0.517 310 V N -3.627 116.304 119.914 0.029 0.000 3.040 310 V HA 0.439 4.559 4.120 -0.000 0.000 0.312 310 V C -0.561 175.482 176.094 -0.085 0.000 1.115 310 V CA -0.953 61.303 62.300 -0.074 0.000 0.998 310 V CB 2.006 33.699 31.823 -0.217 0.000 1.042 310 V HN -0.053 nan 8.190 nan 0.000 0.433 311 D N 1.566 121.838 120.400 -0.213 0.000 2.183 311 D HA 0.134 4.774 4.640 -0.000 0.000 0.203 311 D C 0.873 177.010 176.300 -0.271 0.000 0.969 311 D CA 1.916 55.724 54.000 -0.320 0.000 0.842 311 D CB 0.156 40.602 40.800 -0.590 0.000 0.957 311 D HN 1.012 nan 8.370 nan 0.000 0.484 312 S N -0.438 115.239 115.700 -0.039 0.000 2.547 312 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 312 S C -1.689 173.102 174.600 0.319 0.000 1.150 312 S CA -1.199 57.094 58.200 0.154 0.000 0.850 312 S CB 0.849 64.177 63.200 0.213 0.000 1.118 312 S HN 0.104 nan 8.310 nan 0.000 0.461 313 F N -0.369 119.645 119.950 0.107 0.000 2.617 313 F HA 0.788 5.315 4.527 -0.000 0.000 0.325 313 F C -0.318 175.722 175.800 0.399 0.000 1.179 313 F CA -1.130 56.923 58.000 0.088 0.000 0.965 313 F CB 1.438 40.331 39.000 -0.178 0.000 1.232 313 F HN 0.581 nan 8.300 nan 0.000 0.461 314 S N 3.924 119.856 115.700 0.387 0.000 2.423 314 S HA 0.293 4.763 4.470 -0.000 0.000 0.317 314 S C -0.898 173.785 174.600 0.138 0.000 1.065 314 S CA -0.387 57.919 58.200 0.175 0.000 1.111 314 S CB -0.161 63.019 63.200 -0.032 0.000 0.968 314 S HN 0.619 nan 8.310 nan 0.000 0.474 315 Y N 5.877 126.122 120.300 -0.091 0.000 2.745 315 Y HA 0.064 4.614 4.550 -0.000 0.000 0.335 315 Y C 0.038 175.744 175.900 -0.325 0.000 1.212 315 Y CA 0.155 57.970 58.100 -0.476 0.000 1.535 315 Y CB 0.274 38.569 38.460 -0.275 0.000 1.220 315 Y HN 0.722 nan 8.280 nan 0.000 0.531 316 W N 9.796 130.450 121.300 -1.077 0.000 2.367 316 W HA 0.343 5.003 4.660 -0.000 0.000 0.329 316 W C -1.002 174.889 176.519 -1.046 0.000 1.066 316 W CA -0.149 56.663 57.345 -0.889 0.000 1.435 316 W CB 0.764 29.710 29.460 -0.856 0.000 1.296 316 W HN 0.738 nan 8.180 nan 0.000 0.401 317 T N 1.534 115.636 114.554 -0.753 0.000 2.812 317 T HA 0.302 4.652 4.350 -0.000 0.000 0.294 317 T C 0.541 175.099 174.700 -0.238 0.000 1.159 317 T CA -0.724 61.008 62.100 -0.614 0.000 1.008 317 T CB 1.119 69.455 68.868 -0.888 0.000 1.289 317 T HN 0.339 nan 8.240 nan 0.000 0.514 318 F N 0.113 119.841 119.950 -0.369 0.000 2.365 318 F HA 0.384 4.911 4.527 -0.000 0.000 0.300 318 F C 0.664 176.344 175.800 -0.201 0.000 1.090 318 F CA 0.437 58.271 58.000 -0.278 0.000 1.408 318 F CB -0.134 38.670 39.000 -0.327 0.000 1.060 318 F HN 0.737 nan 8.300 nan 0.000 0.534 319 S N -0.726 114.361 115.700 -1.021 0.000 2.550 319 S HA 0.265 4.735 4.470 -0.000 0.000 0.270 319 S C -0.307 174.007 174.600 -0.477 0.000 1.145 319 S CA -0.741 56.961 58.200 -0.829 0.000 0.852 319 S CB 1.288 63.716 63.200 -1.287 0.000 1.119 319 S HN 0.081 nan 8.310 nan 0.000 0.465 320 D N 1.276 121.529 120.400 -0.245 0.000 2.363 320 D HA 0.093 4.733 4.640 -0.000 0.000 0.226 320 D C 0.412 176.713 176.300 0.002 0.000 1.020 320 D CA 0.512 54.461 54.000 -0.086 0.000 0.892 320 D CB -0.100 40.695 40.800 -0.008 0.000 0.900 320 D HN 0.386 nan 8.370 nan 0.000 0.531 321 V N 1.997 121.865 119.914 -0.077 0.000 2.400 321 V HA 0.058 4.178 4.120 -0.000 0.000 0.263 321 V C -0.223 175.925 176.094 0.090 0.000 1.026 321 V CA 0.373 62.650 62.300 -0.038 0.000 1.077 321 V CB -1.012 30.761 31.823 -0.084 0.000 1.054 321 V HN -0.040 nan 8.190 nan 0.000 0.477 322 F N 3.138 123.030 119.950 -0.096 0.000 2.669 322 F HA 0.376 4.903 4.527 -0.000 0.000 0.315 322 F C 0.335 176.122 175.800 -0.021 0.000 1.109 322 F CA -0.555 57.409 58.000 -0.060 0.000 1.028 322 F CB 2.041 41.012 39.000 -0.048 0.000 1.287 322 F HN 0.435 nan 8.300 nan 0.000 0.452 323 E N 2.342 122.438 120.200 -0.173 0.000 2.743 323 E HA 0.062 4.412 4.350 -0.000 0.000 0.222 323 E C 0.712 177.442 176.600 0.218 0.000 0.959 323 E CA 0.037 56.473 56.400 0.060 0.000 1.198 323 E CB 0.695 30.510 29.700 0.192 0.000 1.100 323 E HN 0.726 nan 8.360 nan 0.000 0.518 324 E N 0.885 121.081 120.200 -0.007 0.000 2.130 324 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 324 E C 1.010 177.695 176.600 0.141 0.000 0.998 324 E CA 1.006 57.344 56.400 -0.103 0.000 0.806 324 E CB 0.133 29.581 29.700 -0.421 0.000 0.738 324 E HN 0.190 nan 8.360 nan 0.000 0.459 325 M N 1.417 121.097 119.600 0.133 0.000 2.972 325 M HA 0.167 4.647 4.480 -0.000 0.000 0.323 325 M C -0.591 175.636 176.300 -0.122 0.000 1.213 325 M CA -0.093 55.236 55.300 0.049 0.000 0.935 325 M CB 0.011 32.614 32.600 0.005 0.000 1.289 325 M HN -0.073 nan 8.290 nan 0.000 0.525 326 D N 0.325 120.537 120.400 -0.314 0.000 10.696 326 D HA -0.150 4.490 4.640 -0.000 0.000 0.353 326 D C -0.805 175.214 176.300 -0.469 0.000 3.125 326 D CA 0.260 53.723 54.000 -0.895 0.000 2.612 326 D CB 0.544 40.956 40.800 -0.647 0.000 1.223 326 D HN 0.099 nan 8.370 nan 0.000 0.947 327 V N 2.045 121.690 119.914 -0.449 0.000 2.788 327 V HA 0.197 4.317 4.120 -0.000 0.000 0.307 327 V C -1.438 174.517 176.094 -0.232 0.000 1.069 327 V CA -0.405 61.753 62.300 -0.237 0.000 1.173 327 V CB 0.258 31.990 31.823 -0.152 0.000 0.925 327 V HN 0.456 nan 8.190 nan 0.000 0.492 328 P HA 0.100 nan 4.420 nan 0.000 0.265 328 P C 0.298 177.468 177.300 -0.217 0.000 1.193 328 P CA 0.108 62.903 63.100 -0.509 0.000 0.765 328 P CB 0.320 31.478 31.700 -0.903 0.000 0.823 329 K N 1.340 121.648 120.400 -0.154 0.000 2.374 329 K HA 0.451 4.771 4.320 -0.000 0.000 0.196 329 K C 0.393 176.982 176.600 -0.018 0.000 1.023 329 K CA 0.100 56.400 56.287 0.022 0.000 1.103 329 K CB 0.500 33.001 32.500 0.003 0.000 0.848 329 K HN 0.507 nan 8.250 nan 0.000 0.528 330 A N 0.395 123.190 122.820 -0.042 0.000 2.597 330 A HA 0.200 4.520 4.320 -0.000 0.000 0.292 330 A C 0.176 177.763 177.584 0.005 0.000 1.057 330 A CA -0.729 51.281 52.037 -0.045 0.000 0.674 330 A CB 0.325 19.422 19.000 0.163 0.000 1.278 330 A HN 0.044 nan 8.150 nan 0.000 0.416 331 L N -0.255 120.918 121.223 -0.085 0.000 1.989 331 L HA 0.019 4.359 4.340 -0.000 0.000 0.211 331 L C 0.008 176.522 176.870 -0.592 0.000 1.071 331 L CA 1.815 56.464 54.840 -0.318 0.000 0.749 331 L CB -0.262 41.524 42.059 -0.455 0.000 0.890 331 L HN 0.670 nan 8.230 nan 0.000 0.431 332 F N -0.064 119.476 119.950 -0.684 0.000 2.361 332 F HA 0.217 4.744 4.527 -0.000 0.000 0.364 332 F C 0.999 176.593 175.800 -0.345 0.000 1.117 332 F CA -0.588 57.006 58.000 -0.676 0.000 1.071 332 F CB 0.777 39.199 39.000 -0.963 0.000 1.188 332 F HN 0.151 nan 8.300 nan 0.000 0.464 333 H N 1.105 120.159 119.070 -0.026 0.000 3.367 333 H HA 0.338 4.894 4.556 -0.000 0.000 0.257 333 H C 1.098 176.467 175.328 0.069 0.000 1.201 333 H CA 0.190 56.283 56.048 0.075 0.000 1.102 333 H CB 0.769 30.500 29.762 -0.052 0.000 1.656 333 H HN 0.775 nan 8.280 nan 0.000 0.662 334 G N 0.945 109.552 108.800 -0.321 0.000 2.131 334 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.223 334 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.223 334 G C 0.646 175.361 174.900 -0.310 0.000 0.990 334 G CA -0.011 44.934 45.100 -0.258 0.000 0.671 334 G HN 0.828 nan 8.290 nan 0.000 0.521 335 G N -1.048 107.376 108.800 -0.628 0.000 2.636 335 G HA2 0.468 4.428 3.960 -0.000 0.000 0.246 335 G HA3 0.468 4.428 3.960 -0.000 0.000 0.246 335 G C 0.761 175.358 174.900 -0.505 0.000 1.216 335 G CA -0.289 44.504 45.100 -0.512 0.000 0.854 335 G HN 0.227 nan 8.290 nan 0.000 0.572 336 F N 0.781 120.371 119.950 -0.599 0.000 2.502 336 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 336 F C 2.294 177.777 175.800 -0.528 0.000 1.111 336 F CA 0.180 57.692 58.000 -0.813 0.000 1.445 336 F CB 0.083 38.530 39.000 -0.922 0.000 1.081 336 F HN 0.489 nan 8.300 nan 0.000 0.558 337 G N 0.381 109.031 108.800 -0.249 0.000 2.491 337 G HA2 0.183 4.143 3.960 -0.000 0.000 0.242 337 G HA3 0.183 4.143 3.960 -0.000 0.000 0.242 337 G C 0.856 175.712 174.900 -0.073 0.000 1.266 337 G CA -0.510 44.466 45.100 -0.207 0.000 0.844 337 G HN 0.212 nan 8.290 nan 0.000 0.571 338 L N 1.223 122.427 121.223 -0.032 0.000 2.093 338 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 338 L C 0.676 177.497 176.870 -0.082 0.000 1.085 338 L CA 0.666 55.499 54.840 -0.011 0.000 0.755 338 L CB -0.348 41.713 42.059 0.004 0.000 0.904 338 L HN 0.194 nan 8.230 nan 0.000 0.435 339 V N -0.060 119.719 119.914 -0.226 0.000 2.417 339 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 339 V C 0.352 176.179 176.094 -0.445 0.000 1.024 339 V CA -0.939 61.098 62.300 -0.439 0.000 0.861 339 V CB 1.364 32.804 31.823 -0.638 0.000 0.985 339 V HN 0.149 nan 8.190 nan 0.000 0.436 340 A N 4.871 127.456 122.820 -0.392 0.000 2.313 340 A HA 0.676 4.996 4.320 -0.000 0.000 0.261 340 A C 0.127 177.519 177.584 -0.319 0.000 1.090 340 A CA -0.508 51.320 52.037 -0.349 0.000 0.807 340 A CB 0.208 18.930 19.000 -0.463 0.000 1.055 340 A HN 0.839 nan 8.150 nan 0.000 0.492 341 L N 0.295 121.429 121.223 -0.147 0.000 2.516 341 L HA 0.007 4.347 4.340 -0.000 0.000 0.288 341 L C 0.858 177.693 176.870 -0.059 0.000 1.246 341 L CA 0.951 55.755 54.840 -0.061 0.000 0.844 341 L CB -0.258 41.718 42.059 -0.139 0.000 1.106 341 L HN 1.081 nan 8.230 nan 0.000 0.509 342 H N 0.063 119.172 119.070 0.066 0.000 3.395 342 H HA -0.200 4.356 4.556 -0.000 0.000 0.222 342 H C 1.087 176.399 175.328 -0.027 0.000 1.099 342 H CA 0.822 56.882 56.048 0.020 0.000 1.182 342 H CB -1.473 28.270 29.762 -0.031 0.000 1.188 342 H HN 0.848 nan 8.280 nan 0.000 0.317 343 S N -1.281 114.383 115.700 -0.060 0.000 3.682 343 S HA -0.255 4.215 4.470 -0.000 0.000 0.354 343 S C 0.100 174.540 174.600 -0.266 0.000 1.034 343 S CA 0.827 58.834 58.200 -0.322 0.000 1.084 343 S CB -2.223 60.945 63.200 -0.054 0.000 0.903 343 S HN 0.544 nan 8.310 nan 0.000 0.470 344 I N 2.749 123.178 120.570 -0.235 0.000 2.379 344 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 344 I C -1.708 174.244 176.117 -0.275 0.000 1.063 344 I CA -2.312 58.886 61.300 -0.170 0.000 1.351 344 I CB 0.765 38.726 38.000 -0.064 0.000 1.410 344 I HN 0.187 nan 8.210 nan 0.000 0.505 345 P HA 0.186 nan 4.420 nan 0.000 0.280 345 P C -0.995 176.173 177.300 -0.221 0.000 1.244 345 P CA -0.438 62.291 63.100 -0.619 0.000 0.784 345 P CB 0.837 31.909 31.700 -1.048 0.000 0.913 346 K N 3.828 124.149 120.400 -0.132 0.000 2.098 346 K HA 0.263 4.583 4.320 -0.000 0.000 0.244 346 K C -1.740 174.889 176.600 0.050 0.000 1.014 346 K CA -1.794 54.513 56.287 0.032 0.000 0.917 346 K CB -0.296 32.231 32.500 0.045 0.000 1.072 346 K HN 0.144 nan 8.250 nan 0.000 0.477 347 P HA -0.186 nan 4.420 nan 0.000 0.217 347 P C 0.747 178.128 177.300 0.134 0.000 1.148 347 P CA 1.480 64.709 63.100 0.216 0.000 0.834 347 P CB 0.154 31.943 31.700 0.149 0.000 0.783 348 T N -1.574 113.028 114.554 0.080 0.000 2.904 348 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 348 T C 1.366 176.127 174.700 0.102 0.000 1.059 348 T CA 0.616 62.755 62.100 0.066 0.000 1.137 348 T CB -0.973 67.917 68.868 0.036 0.000 0.879 348 T HN 0.053 nan 8.240 nan 0.000 0.467 349 F N 2.053 121.925 119.950 -0.130 0.000 2.087 349 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 349 F C 2.197 177.892 175.800 -0.176 0.000 1.100 349 F CA 1.822 59.706 58.000 -0.192 0.000 1.226 349 F CB -0.486 38.296 39.000 -0.364 0.000 0.983 349 F HN 0.343 nan 8.300 nan 0.000 0.479 350 H N -0.669 118.393 119.070 -0.014 0.000 2.387 350 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 350 H C 2.387 177.277 175.328 -0.730 0.000 1.090 350 H CA 0.866 56.646 56.048 -0.446 0.000 1.332 350 H CB -0.474 29.025 29.762 -0.439 0.000 1.386 350 H HN 0.383 nan 8.280 nan 0.000 0.516 351 A N 0.830 123.513 122.820 -0.228 0.000 1.917 351 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 351 A C 1.922 179.462 177.584 -0.073 0.000 1.182 351 A CA 1.668 53.641 52.037 -0.108 0.000 0.633 351 A CB -0.964 17.977 19.000 -0.098 0.000 0.819 351 A HN 0.345 nan 8.150 nan 0.000 0.448 352 F N 0.707 120.558 119.950 -0.164 0.000 2.146 352 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 352 F C 3.010 178.779 175.800 -0.051 0.000 1.096 352 F CA 1.967 59.918 58.000 -0.082 0.000 1.275 352 F CB -0.622 38.304 39.000 -0.123 0.000 1.008 352 F HN 0.399 nan 8.300 nan 0.000 0.480 353 T N -2.177 112.337 114.554 -0.066 0.000 2.867 353 T HA -0.186 4.163 4.350 -0.000 0.000 0.268 353 T C 1.999 176.827 174.700 0.213 0.000 1.057 353 T CA 1.079 63.177 62.100 -0.005 0.000 1.136 353 T CB -1.145 67.668 68.868 -0.090 0.000 0.874 353 T HN 0.295 nan 8.240 nan 0.000 0.466 354 F N 0.299 120.290 119.950 0.067 0.000 2.102 354 F HA 0.065 4.592 4.527 -0.000 0.000 0.298 354 F C 2.195 177.914 175.800 -0.134 0.000 1.105 354 F CA 0.557 58.551 58.000 -0.010 0.000 1.239 354 F CB -0.468 38.530 39.000 -0.003 0.000 0.991 354 F HN 0.077 nan 8.300 nan 0.000 0.474 355 F N 0.756 120.628 119.950 -0.131 0.000 2.202 355 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 355 F C 2.093 177.744 175.800 -0.247 0.000 1.082 355 F CA 1.415 59.123 58.000 -0.486 0.000 1.313 355 F CB -0.904 37.383 39.000 -1.189 0.000 1.024 355 F HN -0.049 nan 8.300 nan 0.000 0.495 356 N N 0.222 119.063 118.700 0.235 0.000 2.381 356 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 356 N C 1.564 177.224 175.510 0.250 0.000 1.025 356 N CA 0.970 54.287 53.050 0.445 0.000 0.888 356 N CB -0.179 38.528 38.487 0.367 0.000 0.965 356 N HN 0.163 nan 8.380 nan 0.000 0.438 357 A N -0.217 122.690 122.820 0.145 0.000 2.251 357 A HA 0.205 4.525 4.320 -0.000 0.000 0.209 357 A C 0.580 178.186 177.584 0.037 0.000 1.187 357 A CA -0.177 51.910 52.037 0.084 0.000 0.823 357 A CB -0.228 18.802 19.000 0.051 0.000 0.846 357 A HN 0.220 nan 8.150 nan 0.000 0.486 358 L N 0.066 121.301 121.223 0.021 0.000 2.439 358 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 358 L C 1.241 178.168 176.870 0.096 0.000 1.179 358 L CA -0.416 54.407 54.840 -0.028 0.000 0.828 358 L CB 0.709 42.670 42.059 -0.163 0.000 1.106 358 L HN 0.327 nan 8.230 nan 0.000 0.467 359 G N 0.380 109.222 108.800 0.070 0.000 2.588 359 G HA2 0.090 4.050 3.960 -0.000 0.000 0.281 359 G HA3 0.090 4.050 3.960 -0.000 0.000 0.281 359 G C 0.248 175.258 174.900 0.183 0.000 1.236 359 G CA -0.387 44.782 45.100 0.114 0.000 0.969 359 G HN 0.696 nan 8.290 nan 0.000 0.504 360 D N -0.900 119.602 120.400 0.170 0.000 2.183 360 D HA -0.047 4.593 4.640 -0.000 0.000 0.203 360 D C 0.972 177.379 176.300 0.177 0.000 0.969 360 D CA 0.772 54.888 54.000 0.193 0.000 0.842 360 D CB 0.254 41.135 40.800 0.135 0.000 0.957 360 D HN 0.566 nan 8.370 nan 0.000 0.484 361 E N 1.124 121.399 120.200 0.126 0.000 2.180 361 E HA 0.151 4.501 4.350 -0.000 0.000 0.283 361 E C -0.642 176.013 176.600 0.091 0.000 1.061 361 E CA -0.271 56.189 56.400 0.099 0.000 0.861 361 E CB 0.541 30.283 29.700 0.071 0.000 1.056 361 E HN 0.024 nan 8.360 nan 0.000 0.407 362 L N 7.302 128.586 121.223 0.101 0.000 2.257 362 L HA 0.196 4.536 4.340 -0.000 0.000 0.290 362 L C 0.467 177.369 176.870 0.054 0.000 1.044 362 L CA -0.256 54.632 54.840 0.080 0.000 0.810 362 L CB 0.735 42.871 42.059 0.128 0.000 1.193 362 L HN 0.855 nan 8.230 nan 0.000 0.425 363 L N 6.077 127.325 121.223 0.043 0.000 2.298 363 L HA 0.133 4.473 4.340 -0.000 0.000 0.209 363 L C -0.337 176.611 176.870 0.130 0.000 1.084 363 L CA 0.316 55.193 54.840 0.063 0.000 0.816 363 L CB 0.034 42.117 42.059 0.040 0.000 0.967 363 L HN 0.498 nan 8.230 nan 0.000 0.460 364 Y N -0.036 120.235 120.300 -0.048 0.000 2.521 364 Y HA 0.542 5.092 4.550 -0.000 0.000 0.332 364 Y C -1.079 174.787 175.900 -0.057 0.000 1.121 364 Y CA -1.286 56.783 58.100 -0.052 0.000 1.037 364 Y CB 1.340 39.754 38.460 -0.075 0.000 1.330 364 Y HN -0.133 nan 8.280 nan 0.000 0.452 365 R N 4.027 124.075 120.500 -0.754 0.000 2.651 365 R HA 0.540 4.880 4.340 -0.000 0.000 0.278 365 R C -1.976 173.876 176.300 -0.748 0.000 1.010 365 R CA -0.435 55.341 56.100 -0.540 0.000 0.896 365 R CB 1.632 31.814 30.300 -0.196 0.000 1.211 365 R HN 0.894 nan 8.270 nan 0.000 0.456 366 D N 1.545 121.689 120.400 -0.427 0.000 2.812 366 D HA 0.205 4.845 4.640 -0.000 0.000 0.318 366 D C 0.701 176.947 176.300 -0.090 0.000 1.234 366 D CA -0.384 53.473 54.000 -0.237 0.000 0.989 366 D CB 0.192 40.899 40.800 -0.154 0.000 1.442 366 D HN 0.470 nan 8.370 nan 0.000 0.537 367 G N -1.171 107.605 108.800 -0.040 0.000 2.586 367 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 367 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 367 G C 0.708 175.593 174.900 -0.024 0.000 1.128 367 G CA 0.489 45.623 45.100 0.056 0.000 0.774 367 G HN 0.519 nan 8.290 nan 0.000 0.543 368 E N -1.121 118.820 120.200 -0.431 0.000 2.641 368 E HA 0.270 4.620 4.350 -0.000 0.000 0.224 368 E C 0.511 176.160 176.600 -1.585 0.000 0.951 368 E CA -0.108 55.655 56.400 -1.061 0.000 1.102 368 E CB 0.476 29.854 29.700 -0.537 0.000 1.091 368 E HN 0.586 nan 8.360 nan 0.000 0.507 369 M N -0.746 118.159 119.600 -1.158 0.000 2.790 369 M HA 0.487 4.967 4.480 -0.000 0.000 0.272 369 M C -2.197 173.934 176.300 -0.281 0.000 1.168 369 M CA -0.862 53.987 55.300 -0.751 0.000 0.829 369 M CB 2.275 34.665 32.600 -0.351 0.000 1.675 369 M HN -0.043 nan 8.290 nan 0.000 0.505 370 I N 2.162 122.651 120.570 -0.135 0.000 2.607 370 I HA 0.732 4.902 4.170 -0.000 0.000 0.290 370 I C -1.938 174.085 176.117 -0.157 0.000 1.129 370 I CA -0.837 60.391 61.300 -0.120 0.000 1.042 370 I CB 2.230 40.129 38.000 -0.168 0.000 1.242 370 I HN 0.659 nan 8.210 nan 0.000 0.421 371 V N 5.818 125.680 119.914 -0.087 0.000 2.487 371 V HA 0.642 4.762 4.120 -0.000 0.000 0.298 371 V C 0.037 176.086 176.094 -0.074 0.000 1.028 371 V CA -0.324 61.931 62.300 -0.075 0.000 0.860 371 V CB 1.802 33.620 31.823 -0.008 0.000 0.991 371 V HN 0.849 nan 8.190 nan 0.000 0.427 372 T N 2.099 116.598 114.554 -0.091 0.000 2.888 372 T HA 0.811 5.161 4.350 -0.000 0.000 0.288 372 T C -0.694 173.997 174.700 -0.014 0.000 1.063 372 T CA -0.979 61.093 62.100 -0.047 0.000 1.010 372 T CB 2.500 71.328 68.868 -0.066 0.000 1.214 372 T HN 0.643 nan 8.240 nan 0.000 0.533 373 R N 0.049 120.562 120.500 0.021 0.000 2.621 373 R HA 0.684 5.024 4.340 -0.000 0.000 0.292 373 R C -0.704 175.628 176.300 0.053 0.000 0.969 373 R CA -0.795 55.327 56.100 0.036 0.000 0.887 373 R CB 1.486 31.810 30.300 0.039 0.000 1.180 373 R HN 0.631 nan 8.270 nan 0.000 0.450 374 R N 1.655 122.190 120.500 0.058 0.000 2.546 374 R HA 0.258 4.598 4.340 -0.000 0.000 0.266 374 R C 0.873 177.211 176.300 0.063 0.000 1.086 374 R CA -0.323 55.814 56.100 0.062 0.000 1.160 374 R CB 0.610 30.943 30.300 0.056 0.000 1.138 374 R HN 0.574 nan 8.270 nan 0.000 0.567 375 K N 0.592 121.027 120.400 0.058 0.000 2.097 375 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 375 K C 0.825 177.455 176.600 0.049 0.000 1.049 375 K CA 1.912 58.230 56.287 0.052 0.000 0.933 375 K CB -0.030 32.498 32.500 0.047 0.000 0.717 375 K HN 0.655 nan 8.250 nan 0.000 0.442 376 D N -0.947 119.479 120.400 0.043 0.000 2.352 376 D HA -0.013 4.627 4.640 -0.000 0.000 0.232 376 D C 1.002 177.338 176.300 0.061 0.000 1.055 376 D CA 0.864 54.885 54.000 0.035 0.000 0.891 376 D CB 0.096 40.901 40.800 0.009 0.000 0.897 376 D HN 0.315 nan 8.370 nan 0.000 0.529 377 G N -0.164 108.693 108.800 0.095 0.000 2.199 377 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 377 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 377 G C 0.453 175.503 174.900 0.250 0.000 0.982 377 G CA 0.395 45.597 45.100 0.171 0.000 0.632 377 G HN 0.893 nan 8.290 nan 0.000 0.529 378 S N 0.649 116.449 115.700 0.167 0.000 2.585 378 S HA 0.678 5.148 4.470 -0.000 0.000 0.273 378 S C 0.378 175.052 174.600 0.123 0.000 1.339 378 S CA -0.527 57.784 58.200 0.184 0.000 1.028 378 S CB 1.388 64.636 63.200 0.081 0.000 0.906 378 S HN 0.518 nan 8.310 nan 0.000 0.528 379 I N 1.583 122.216 120.570 0.106 0.000 2.392 379 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 379 I C 0.257 176.365 176.117 -0.014 0.000 0.985 379 I CA -0.658 60.659 61.300 0.029 0.000 1.221 379 I CB 0.857 38.857 38.000 0.000 0.000 1.366 379 I HN 0.927 nan 8.210 nan 0.000 0.467 380 A N 5.233 128.024 122.820 -0.049 0.000 2.343 380 A HA 0.898 5.218 4.320 -0.000 0.000 0.308 380 A C -0.698 176.797 177.584 -0.148 0.000 1.092 380 A CA -0.493 51.487 52.037 -0.095 0.000 0.751 380 A CB 1.550 20.502 19.000 -0.081 0.000 1.203 380 A HN 0.851 nan 8.150 nan 0.000 0.452 381 A N 1.843 124.555 122.820 -0.180 0.000 2.422 381 A HA 0.714 5.034 4.320 -0.000 0.000 0.302 381 A C -1.091 176.348 177.584 -0.241 0.000 1.041 381 A CA -0.449 51.466 52.037 -0.203 0.000 0.708 381 A CB 1.474 20.379 19.000 -0.157 0.000 1.257 381 A HN 1.203 nan 8.150 nan 0.000 0.414 382 V N 3.450 123.202 119.914 -0.271 0.000 2.435 382 V HA 0.523 4.643 4.120 -0.000 0.000 0.290 382 V C -0.320 175.751 176.094 -0.039 0.000 1.030 382 V CA -0.372 61.818 62.300 -0.184 0.000 0.881 382 V CB 1.204 32.787 31.823 -0.399 0.000 0.983 382 V HN 0.735 nan 8.190 nan 0.000 0.445 383 L N 4.307 125.530 121.223 -0.000 0.000 2.342 383 L HA 0.718 5.058 4.340 -0.000 0.000 0.271 383 L C -0.964 176.010 176.870 0.174 0.000 1.008 383 L CA -0.523 54.262 54.840 -0.091 0.000 0.818 383 L CB 2.012 43.978 42.059 -0.155 0.000 1.296 383 L HN 0.906 nan 8.230 nan 0.000 0.427 384 W N 0.952 122.270 121.300 0.029 0.000 2.936 384 W HA 0.505 5.165 4.660 -0.000 0.000 0.338 384 W C -0.828 175.716 176.519 0.041 0.000 1.121 384 W CA -0.836 56.544 57.345 0.059 0.000 1.209 384 W CB 1.147 30.656 29.460 0.082 0.000 1.420 384 W HN 0.497 nan 8.180 nan 0.000 0.516 385 N N 3.642 122.464 118.700 0.204 0.000 2.851 385 N HA 0.231 4.971 4.740 -0.000 0.000 0.248 385 N C -1.570 174.042 175.510 0.169 0.000 1.221 385 N CA -0.572 52.546 53.050 0.112 0.000 0.847 385 N CB 0.590 39.114 38.487 0.063 0.000 1.150 385 N HN 0.653 nan 8.380 nan 0.000 0.507 386 L N 3.857 125.215 121.223 0.224 0.000 2.361 386 L HA 0.345 4.685 4.340 -0.000 0.000 0.278 386 L C -1.141 175.805 176.870 0.126 0.000 1.113 386 L CA 0.061 55.019 54.840 0.197 0.000 0.849 386 L CB 1.039 43.226 42.059 0.213 0.000 1.155 386 L HN 0.117 nan 8.230 nan 0.000 0.452 387 V N 7.532 127.514 119.914 0.112 0.000 2.409 387 V HA 0.248 4.368 4.120 -0.000 0.000 0.290 387 V C 0.776 176.922 176.094 0.087 0.000 1.017 387 V CA -0.280 62.071 62.300 0.084 0.000 0.841 387 V CB 1.410 33.274 31.823 0.068 0.000 1.003 387 V HN 0.903 nan 8.190 nan 0.000 0.426 388 M N 1.936 121.586 119.600 0.084 0.000 2.556 388 M HA 0.184 4.664 4.480 -0.000 0.000 0.245 388 M C 0.614 176.949 176.300 0.058 0.000 1.128 388 M CA 0.437 55.789 55.300 0.086 0.000 1.069 388 M CB 0.177 32.839 32.600 0.104 0.000 1.469 388 M HN 0.654 nan 8.290 nan 0.000 0.494 389 E N 1.007 121.235 120.200 0.046 0.000 2.283 389 E HA 0.213 4.563 4.350 -0.000 0.000 0.267 389 E C -0.049 176.568 176.600 0.028 0.000 1.045 389 E CA -0.389 56.029 56.400 0.031 0.000 0.884 389 E CB 0.865 30.579 29.700 0.024 0.000 1.106 389 E HN 0.129 nan 8.360 nan 0.000 0.408 390 K N 0.809 121.220 120.400 0.019 0.000 2.486 390 K HA 0.039 4.359 4.320 -0.000 0.000 0.194 390 K C 1.221 177.830 176.600 0.015 0.000 1.033 390 K CA 0.423 56.720 56.287 0.017 0.000 1.004 390 K CB -0.242 32.262 32.500 0.007 0.000 0.798 390 K HN 0.644 nan 8.250 nan 0.000 0.495 391 G N 2.219 111.028 108.800 0.014 0.000 2.347 391 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.824 391 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.824 391 G C 0.663 175.571 174.900 0.012 0.000 1.218 391 G CA 0.610 45.717 45.100 0.012 0.000 1.407 391 G HN 0.372 nan 8.290 nan 0.000 0.794 392 E N -2.227 117.978 120.200 0.009 0.000 3.441 392 E HA 0.108 4.458 4.350 -0.000 0.000 0.195 392 E C 1.604 178.208 176.600 0.006 0.000 1.172 392 E CA 0.457 56.861 56.400 0.007 0.000 1.457 392 E CB -0.257 29.443 29.700 0.001 0.000 1.388 392 E HN 0.622 nan 8.360 nan 0.000 0.551 393 G N 2.358 111.161 108.800 0.004 0.000 4.198 393 G HA2 0.377 4.337 3.960 -0.000 0.000 0.282 393 G HA3 0.377 4.337 3.960 -0.000 0.000 0.282 393 G C -0.036 174.869 174.900 0.008 0.000 1.262 393 G CA -0.405 44.697 45.100 0.003 0.000 1.473 393 G HN 0.116 nan 8.290 nan 0.000 0.624 394 L N 1.917 123.148 121.223 0.014 0.000 2.650 394 L HA 0.146 4.486 4.340 -0.000 0.000 0.239 394 L C 1.315 178.196 176.870 0.018 0.000 1.412 394 L CA 0.066 54.917 54.840 0.017 0.000 1.219 394 L CB 0.018 42.091 42.059 0.025 0.000 1.534 394 L HN 0.226 nan 8.230 nan 0.000 0.430 395 T N 0.608 115.169 114.554 0.012 0.000 2.728 395 T HA 0.189 4.539 4.350 -0.000 0.000 0.296 395 T C -0.081 174.621 174.700 0.003 0.000 0.940 395 T CA -0.534 61.572 62.100 0.011 0.000 1.013 395 T CB 0.407 69.280 68.868 0.009 0.000 0.912 395 T HN 0.281 nan 8.240 nan 0.000 0.484 396 K N 3.922 124.323 120.400 0.001 0.000 2.130 396 K HA 0.421 4.741 4.320 -0.000 0.000 0.268 396 K C -0.667 175.923 176.600 -0.018 0.000 0.983 396 K CA -0.669 55.611 56.287 -0.012 0.000 0.893 396 K CB 0.835 33.324 32.500 -0.019 0.000 1.066 396 K HN 0.551 nan 8.250 nan 0.000 0.450 397 E N 1.864 122.049 120.200 -0.025 0.000 2.158 397 E HA 0.276 4.626 4.350 -0.000 0.000 0.271 397 E C -1.361 175.211 176.600 -0.047 0.000 0.911 397 E CA -0.649 55.733 56.400 -0.031 0.000 0.767 397 E CB 2.034 31.719 29.700 -0.025 0.000 1.120 397 E HN 0.200 nan 8.360 nan 0.000 0.405 398 V N 3.802 123.681 119.914 -0.059 0.000 2.459 398 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 398 V C -0.373 175.674 176.094 -0.079 0.000 1.029 398 V CA -0.830 61.422 62.300 -0.080 0.000 0.874 398 V CB 1.583 33.343 31.823 -0.105 0.000 0.985 398 V HN 0.593 nan 8.190 nan 0.000 0.438 399 Q N 4.051 123.800 119.800 -0.086 0.000 2.333 399 Q HA 0.563 4.903 4.340 -0.000 0.000 0.265 399 Q C -1.582 174.341 176.000 -0.128 0.000 0.989 399 Q CA -0.825 54.929 55.803 -0.083 0.000 0.842 399 Q CB 2.622 31.327 28.738 -0.055 0.000 1.262 399 Q HN 0.404 nan 8.270 nan 0.000 0.451 400 L N 3.086 124.223 121.223 -0.143 0.000 2.362 400 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 400 L C -1.065 175.665 176.870 -0.233 0.000 0.998 400 L CA -0.781 53.940 54.840 -0.197 0.000 0.820 400 L CB 2.219 44.171 42.059 -0.178 0.000 1.270 400 L HN 0.357 nan 8.230 nan 0.000 0.415 401 V N 5.896 125.631 119.914 -0.299 0.000 2.357 401 V HA 0.501 4.621 4.120 -0.000 0.000 0.284 401 V C -0.099 175.826 176.094 -0.282 0.000 1.018 401 V CA -0.558 61.512 62.300 -0.384 0.000 0.841 401 V CB 1.459 32.988 31.823 -0.489 0.000 0.991 401 V HN 0.473 nan 8.190 nan 0.000 0.437 402 I N 5.823 126.252 120.570 -0.234 0.000 2.382 402 I HA 0.466 4.636 4.170 -0.000 0.000 0.286 402 I C -2.499 173.516 176.117 -0.171 0.000 1.002 402 I CA -2.463 58.729 61.300 -0.181 0.000 1.135 402 I CB 1.876 39.787 38.000 -0.147 0.000 1.288 402 I HN 0.339 nan 8.210 nan 0.000 0.448 403 P HA 0.224 nan 4.420 nan 0.000 0.271 403 P C -0.562 176.612 177.300 -0.210 0.000 1.216 403 P CA -0.006 63.001 63.100 -0.156 0.000 0.771 403 P CB 1.832 33.460 31.700 -0.119 0.000 0.864 404 V N 2.550 122.294 119.914 -0.285 0.000 2.851 404 V HA 0.137 4.257 4.120 -0.000 0.000 0.307 404 V C 1.092 176.868 176.094 -0.530 0.000 1.129 404 V CA -0.298 61.676 62.300 -0.542 0.000 0.932 404 V CB 2.075 33.508 31.823 -0.650 0.000 1.024 404 V HN 0.625 nan 8.190 nan 0.000 0.426 405 S N 2.750 118.106 115.700 -0.574 0.000 2.671 405 S HA 0.273 4.743 4.470 -0.000 0.000 0.220 405 S C -0.044 174.504 174.600 -0.086 0.000 0.951 405 S CA -0.089 57.976 58.200 -0.225 0.000 0.932 405 S CB -0.521 62.663 63.200 -0.028 0.000 0.777 405 S HN 0.634 nan 8.310 nan 0.000 0.508 406 F N -0.395 119.558 119.950 0.004 0.000 2.577 406 F HA 0.743 5.270 4.527 -0.000 0.000 0.318 406 F C 1.036 176.842 175.800 0.009 0.000 1.065 406 F CA -0.945 57.059 58.000 0.008 0.000 0.929 406 F CB 0.981 39.988 39.000 0.011 0.000 1.237 406 F HN -0.041 nan 8.300 nan 0.000 0.468 407 S N 0.352 116.173 115.700 0.203 0.000 2.470 407 S HA 0.506 4.976 4.470 -0.000 0.000 0.225 407 S C 0.582 175.262 174.600 0.134 0.000 1.006 407 S CA 0.376 58.643 58.200 0.113 0.000 0.934 407 S CB -0.173 63.071 63.200 0.074 0.000 0.778 407 S HN 0.977 nan 8.310 nan 0.000 0.517 408 A N 0.866 123.800 122.820 0.190 0.000 2.355 408 A HA 0.784 5.104 4.320 -0.000 0.000 0.317 408 A C -0.918 176.797 177.584 0.218 0.000 1.094 408 A CA -0.639 51.490 52.037 0.153 0.000 0.764 408 A CB 1.907 20.963 19.000 0.094 0.000 1.230 408 A HN 0.268 nan 8.150 nan 0.000 0.448 409 V N 2.129 122.160 119.914 0.193 0.000 2.789 409 V HA 0.587 4.707 4.120 -0.000 0.000 0.311 409 V C -1.440 174.770 176.094 0.194 0.000 1.073 409 V CA -0.461 61.978 62.300 0.233 0.000 0.921 409 V CB 1.972 33.943 31.823 0.247 0.000 1.009 409 V HN 0.857 nan 8.190 nan 0.000 0.426 410 F N 6.010 125.978 119.950 0.030 0.000 2.426 410 F HA 0.739 5.266 4.527 -0.000 0.000 0.348 410 F C -0.623 175.175 175.800 -0.003 0.000 1.124 410 F CA -0.730 57.268 58.000 -0.004 0.000 1.008 410 F CB 1.177 40.159 39.000 -0.030 0.000 1.139 410 F HN 0.320 nan 8.300 nan 0.000 0.452 411 I N 6.493 126.683 120.570 -0.633 0.000 2.330 411 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 411 I C -0.492 175.141 176.117 -0.806 0.000 1.001 411 I CA -0.425 60.550 61.300 -0.541 0.000 1.193 411 I CB 1.453 39.284 38.000 -0.283 0.000 1.345 411 I HN 0.488 nan 8.210 nan 0.000 0.461 412 K N 7.203 127.251 120.400 -0.588 0.000 2.263 412 K HA 0.496 4.816 4.320 -0.000 0.000 0.272 412 K C -0.628 175.803 176.600 -0.281 0.000 1.033 412 K CA -0.719 55.318 56.287 -0.416 0.000 0.884 412 K CB 0.994 33.371 32.500 -0.205 0.000 1.107 412 K HN 0.549 nan 8.250 nan 0.000 0.460 413 R N 3.544 123.887 120.500 -0.262 0.000 2.445 413 R HA 0.222 4.562 4.340 -0.000 0.000 0.308 413 R C -0.997 175.158 176.300 -0.242 0.000 0.961 413 R CA -0.441 55.515 56.100 -0.240 0.000 0.862 413 R CB 1.328 31.512 30.300 -0.194 0.000 1.144 413 R HN 0.638 nan 8.270 nan 0.000 0.447 414 Q N 4.796 124.407 119.800 -0.315 0.000 2.353 414 Q HA 0.483 4.823 4.340 -0.000 0.000 0.268 414 Q C -0.719 175.151 176.000 -0.216 0.000 1.045 414 Q CA -0.824 54.814 55.803 -0.275 0.000 0.811 414 Q CB 2.517 31.059 28.738 -0.326 0.000 1.305 414 Q HN 0.547 nan 8.270 nan 0.000 0.447 415 I N -0.599 119.994 120.570 0.040 0.000 2.545 415 I HA 0.666 4.836 4.170 -0.000 0.000 0.292 415 I C -0.668 175.634 176.117 0.309 0.000 1.040 415 I CA -1.260 60.155 61.300 0.191 0.000 1.068 415 I CB 1.653 39.767 38.000 0.191 0.000 1.251 415 I HN 0.237 nan 8.210 nan 0.000 0.424 416 V N 5.997 126.128 119.914 0.363 0.000 2.487 416 V HA 0.532 4.652 4.120 -0.000 0.000 0.298 416 V C -0.097 176.153 176.094 0.260 0.000 1.028 416 V CA -0.328 62.143 62.300 0.285 0.000 0.860 416 V CB 1.489 33.450 31.823 0.231 0.000 0.991 416 V HN 1.113 nan 8.190 nan 0.000 0.427 417 N N 2.277 121.113 118.700 0.226 0.000 3.635 417 N HA 0.315 5.055 4.740 -0.000 0.000 0.347 417 N C -0.032 175.544 175.510 0.109 0.000 1.596 417 N CA -0.713 52.434 53.050 0.161 0.000 0.778 417 N CB 1.172 39.746 38.487 0.146 0.000 2.436 417 N HN 0.260 nan 8.380 nan 0.000 0.569 418 E N -0.100 120.137 120.200 0.062 0.000 2.347 418 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 418 E C 1.065 177.656 176.600 -0.015 0.000 1.008 418 E CA 1.076 57.507 56.400 0.051 0.000 0.852 418 E CB 0.115 29.840 29.700 0.043 0.000 0.783 418 E HN 0.555 nan 8.360 nan 0.000 0.505 419 Q N -0.847 118.880 119.800 -0.122 0.000 2.431 419 Q HA 0.048 4.388 4.340 -0.000 0.000 0.244 419 Q C -0.213 175.595 176.000 -0.319 0.000 0.880 419 Q CA 0.091 55.713 55.803 -0.301 0.000 0.954 419 Q CB 0.714 29.117 28.738 -0.558 0.000 1.105 419 Q HN 0.186 nan 8.270 nan 0.000 0.558 420 Y N -0.956 119.366 120.300 0.038 0.000 2.393 420 Y HA 0.448 4.998 4.550 -0.000 0.000 0.341 420 Y C 0.861 176.811 175.900 0.083 0.000 0.988 420 Y CA -0.346 57.784 58.100 0.050 0.000 1.078 420 Y CB 2.246 40.740 38.460 0.056 0.000 1.203 420 Y HN 0.257 nan 8.280 nan 0.000 0.453 421 G N 2.499 111.456 108.800 0.262 0.000 2.160 421 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.251 421 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.251 421 G C -0.369 174.661 174.900 0.216 0.000 1.008 421 G CA 0.298 45.501 45.100 0.171 0.000 0.724 421 G HN 0.749 nan 8.290 nan 0.000 0.514 422 N N -0.370 118.442 118.700 0.186 0.000 2.696 422 N HA 0.624 5.364 4.740 -0.000 0.000 0.246 422 N C 1.353 176.945 175.510 0.137 0.000 1.057 422 N CA 0.256 53.404 53.050 0.163 0.000 0.867 422 N CB 0.406 38.980 38.487 0.145 0.000 1.141 422 N HN 0.300 nan 8.380 nan 0.000 0.517 423 A N 2.505 125.411 122.820 0.144 0.000 2.014 423 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 423 A C 1.783 179.375 177.584 0.014 0.000 1.163 423 A CA 0.567 52.704 52.037 0.166 0.000 0.652 423 A CB -0.632 18.583 19.000 0.359 0.000 0.808 423 A HN 0.909 nan 8.150 nan 0.000 0.449 424 W N 0.996 121.992 121.300 -0.508 0.000 2.358 424 W HA -0.214 4.446 4.660 -0.000 0.000 0.303 424 W C 2.256 178.718 176.519 -0.095 0.000 1.208 424 W CA 2.060 58.999 57.345 -0.676 0.000 1.274 424 W CB -0.222 28.811 29.460 -0.712 0.000 1.138 424 W HN 0.300 nan 8.180 nan 0.000 0.515 425 R N 0.119 120.582 120.500 -0.062 0.000 2.091 425 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 425 R C 1.921 178.146 176.300 -0.125 0.000 1.136 425 R CA 2.530 58.521 56.100 -0.181 0.000 0.959 425 R CB -0.917 29.362 30.300 -0.036 0.000 0.856 425 R HN 0.191 nan 8.270 nan 0.000 0.437 426 V N -0.640 119.273 119.914 -0.003 0.000 2.453 426 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 426 V C 1.877 178.015 176.094 0.073 0.000 1.048 426 V CA 1.562 63.881 62.300 0.033 0.000 1.049 426 V CB -0.782 31.091 31.823 0.083 0.000 0.672 426 V HN 0.566 nan 8.190 nan 0.000 0.457 427 W N 1.823 123.092 121.300 -0.052 0.000 2.321 427 W HA -0.219 4.441 4.660 -0.000 0.000 0.306 427 W C 2.303 178.765 176.519 -0.096 0.000 1.217 427 W CA 1.971 59.321 57.345 0.008 0.000 1.257 427 W CB -0.156 29.425 29.460 0.202 0.000 1.145 427 W HN 0.103 nan 8.180 nan 0.000 0.509 428 K N -0.078 120.118 120.400 -0.340 0.000 2.057 428 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 428 K C 2.033 178.421 176.600 -0.353 0.000 1.049 428 K CA 2.014 57.980 56.287 -0.536 0.000 0.931 428 K CB -0.594 31.581 32.500 -0.541 0.000 0.714 428 K HN 0.360 nan 8.250 nan 0.000 0.440 429 Q N 0.312 119.975 119.800 -0.228 0.000 2.226 429 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 429 Q C 1.880 177.798 176.000 -0.137 0.000 0.975 429 Q CA 1.247 56.956 55.803 -0.156 0.000 0.866 429 Q CB -0.141 28.537 28.738 -0.100 0.000 0.915 429 Q HN 0.343 nan 8.270 nan 0.000 0.440 430 M N -1.193 118.322 119.600 -0.141 0.000 2.619 430 M HA 0.051 4.531 4.480 -0.000 0.000 0.251 430 M C 0.801 176.997 176.300 -0.172 0.000 1.106 430 M CA 0.913 56.145 55.300 -0.114 0.000 1.086 430 M CB 0.579 33.149 32.600 -0.050 0.000 1.465 430 M HN 0.428 nan 8.290 nan 0.000 0.506 431 G N 0.788 109.426 108.800 -0.269 0.000 2.154 431 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.186 431 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.186 431 G C 0.066 174.727 174.900 -0.398 0.000 1.000 431 G CA -0.337 44.606 45.100 -0.262 0.000 0.664 431 G HN 0.418 nan 8.290 nan 0.000 0.513 432 R N -1.184 118.868 120.500 -0.747 0.000 3.251 432 R HA -0.149 4.191 4.340 -0.000 0.000 0.249 432 R C -2.100 173.894 176.300 -0.509 0.000 0.949 432 R CA 0.828 56.144 56.100 -1.306 0.000 0.645 432 R CB -1.704 27.927 30.300 -1.116 0.000 1.065 432 R HN 0.527 nan 8.270 nan 0.000 0.452 433 P HA -0.066 nan 4.420 nan 0.000 0.264 433 P C 0.324 177.718 177.300 0.156 0.000 1.193 433 P CA 0.311 63.421 63.100 0.016 0.000 0.763 433 P CB 0.536 32.284 31.700 0.081 0.000 0.810 434 R N 2.060 122.487 120.500 -0.123 0.000 2.073 434 R HA 0.035 4.375 4.340 -0.000 0.000 0.229 434 R C 0.438 176.373 176.300 -0.608 0.000 1.120 434 R CA 1.336 57.144 56.100 -0.487 0.000 0.967 434 R CB -0.166 29.426 30.300 -1.179 0.000 0.862 434 R HN 0.491 nan 8.270 nan 0.000 0.436 435 F N 1.366 121.412 119.950 0.160 0.000 2.622 435 F HA 0.355 4.882 4.527 -0.000 0.000 0.338 435 F C -2.171 173.687 175.800 0.096 0.000 1.334 435 F CA -2.342 55.729 58.000 0.118 0.000 1.179 435 F CB 0.718 39.769 39.000 0.085 0.000 1.471 435 F HN -0.192 nan 8.300 nan 0.000 0.576 436 P HA 0.175 nan 4.420 nan 0.000 0.272 436 P C 0.122 177.455 177.300 0.056 0.000 1.223 436 P CA -0.337 62.823 63.100 0.100 0.000 0.784 436 P CB 0.830 32.571 31.700 0.068 0.000 0.923 437 S N 1.193 116.919 115.700 0.043 0.000 2.589 437 S HA 0.149 4.619 4.470 -0.000 0.000 0.265 437 S C 1.283 175.871 174.600 -0.020 0.000 1.342 437 S CA -0.515 57.701 58.200 0.026 0.000 1.005 437 S CB 0.599 63.817 63.200 0.030 0.000 0.909 437 S HN 0.329 nan 8.310 nan 0.000 0.555 438 R N 0.803 121.298 120.500 -0.008 0.000 2.119 438 R HA -0.197 4.143 4.340 -0.000 0.000 0.246 438 R C 2.536 178.826 176.300 -0.015 0.000 1.146 438 R CA 2.243 58.332 56.100 -0.018 0.000 0.962 438 R CB -0.545 29.763 30.300 0.012 0.000 0.863 438 R HN 0.747 nan 8.270 nan 0.000 0.442 439 Q N -0.194 119.607 119.800 0.002 0.000 2.083 439 Q HA -0.049 4.291 4.340 -0.000 0.000 0.198 439 Q C 2.231 178.238 176.000 0.011 0.000 0.969 439 Q CA 1.355 57.164 55.803 0.010 0.000 0.838 439 Q CB -0.067 28.681 28.738 0.017 0.000 0.900 439 Q HN 0.380 nan 8.270 nan 0.000 0.436 440 A N 0.277 123.103 122.820 0.010 0.000 1.902 440 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 440 A C 2.313 179.904 177.584 0.012 0.000 1.181 440 A CA 1.266 53.319 52.037 0.025 0.000 0.623 440 A CB -0.754 18.271 19.000 0.042 0.000 0.818 440 A HN 0.212 nan 8.150 nan 0.000 0.443 441 V N 0.179 120.060 119.914 -0.055 0.000 2.287 441 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 441 V C 2.447 178.527 176.094 -0.024 0.000 1.053 441 V CA 2.535 64.772 62.300 -0.106 0.000 1.027 441 V CB -0.935 30.713 31.823 -0.291 0.000 0.646 441 V HN 0.682 nan 8.190 nan 0.000 0.447 442 E N -0.243 119.953 120.200 -0.006 0.000 2.058 442 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 442 E C 2.280 178.904 176.600 0.040 0.000 0.997 442 E CA 1.909 58.322 56.400 0.021 0.000 0.801 442 E CB -0.442 29.271 29.700 0.023 0.000 0.746 442 E HN 0.570 nan 8.360 nan 0.000 0.450 443 T N 1.560 116.140 114.554 0.043 0.000 2.665 443 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 443 T C 1.908 176.659 174.700 0.085 0.000 1.035 443 T CA 1.063 63.200 62.100 0.061 0.000 1.151 443 T CB -0.292 68.611 68.868 0.058 0.000 0.862 443 T HN 0.088 nan 8.240 nan 0.000 0.438 444 L N 0.501 121.782 121.223 0.097 0.000 2.079 444 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 444 L C 2.816 179.763 176.870 0.129 0.000 1.081 444 L CA 1.367 56.292 54.840 0.143 0.000 0.752 444 L CB -0.526 41.644 42.059 0.185 0.000 0.896 444 L HN 0.185 nan 8.230 nan 0.000 0.433 445 R N -0.014 120.538 120.500 0.087 0.000 2.115 445 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 445 R C 2.253 178.607 176.300 0.090 0.000 1.111 445 R CA 1.221 57.366 56.100 0.073 0.000 0.976 445 R CB -0.049 30.278 30.300 0.045 0.000 0.870 445 R HN 0.415 nan 8.270 nan 0.000 0.445 446 Q N -0.171 119.682 119.800 0.088 0.000 2.046 446 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 446 Q C 2.004 178.072 176.000 0.114 0.000 0.975 446 Q CA 1.560 57.419 55.803 0.092 0.000 0.836 446 Q CB 0.207 28.992 28.738 0.079 0.000 0.896 446 Q HN 0.225 nan 8.270 nan 0.000 0.428 447 V N 0.611 120.598 119.914 0.122 0.000 2.667 447 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 447 V C 1.965 178.159 176.094 0.167 0.000 1.065 447 V CA 1.435 63.820 62.300 0.141 0.000 1.083 447 V CB -0.472 31.429 31.823 0.129 0.000 0.692 447 V HN 0.414 nan 8.190 nan 0.000 0.468 448 A N -1.042 121.884 122.820 0.177 0.000 2.216 448 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 448 A C 1.157 178.891 177.584 0.249 0.000 1.160 448 A CA 0.543 52.720 52.037 0.232 0.000 0.725 448 A CB -0.263 18.865 19.000 0.214 0.000 0.784 448 A HN 0.516 nan 8.150 nan 0.000 0.472 449 Q N 0.368 120.267 119.800 0.166 0.000 2.288 449 Q HA 0.309 4.649 4.340 -0.000 0.000 0.254 449 Q C -2.555 173.457 176.000 0.020 0.000 0.932 449 Q CA -2.437 53.435 55.803 0.114 0.000 0.902 449 Q CB -0.022 28.785 28.738 0.115 0.000 1.203 449 Q HN 0.164 nan 8.270 nan 0.000 0.415 450 P HA -0.070 nan 4.420 nan 0.000 0.267 450 P C -0.323 177.007 177.300 0.051 0.000 1.200 450 P CA 0.221 63.298 63.100 -0.038 0.000 0.772 450 P CB 0.398 32.148 31.700 0.083 0.000 0.855 451 H N 2.099 121.119 119.070 -0.083 0.000 2.610 451 H HA 0.247 4.803 4.556 -0.000 0.000 0.336 451 H C -0.886 174.331 175.328 -0.186 0.000 1.087 451 H CA -0.278 55.610 56.048 -0.265 0.000 1.405 451 H CB 0.614 29.893 29.762 -0.805 0.000 1.460 451 H HN 0.058 nan 8.280 nan 0.000 0.538 452 V N 7.383 126.939 119.914 -0.597 0.000 2.459 452 V HA 0.317 4.437 4.120 -0.000 0.000 0.295 452 V C 0.005 175.778 176.094 -0.535 0.000 1.029 452 V CA -0.550 61.498 62.300 -0.420 0.000 0.874 452 V CB 1.544 33.237 31.823 -0.217 0.000 0.985 452 V HN 0.763 nan 8.190 nan 0.000 0.438 453 M N 3.934 123.327 119.600 -0.344 0.000 2.518 453 M HA 0.738 5.218 4.480 -0.000 0.000 0.300 453 M C -0.566 175.606 176.300 -0.214 0.000 1.175 453 M CA -0.446 54.705 55.300 -0.247 0.000 0.890 453 M CB 2.814 35.308 32.600 -0.177 0.000 1.710 453 M HN 0.754 nan 8.290 nan 0.000 0.453 454 T N -1.156 113.290 114.554 -0.179 0.000 2.900 454 T HA 0.822 5.172 4.350 -0.000 0.000 0.303 454 T C -1.262 173.329 174.700 -0.183 0.000 1.142 454 T CA -0.891 61.049 62.100 -0.267 0.000 1.007 454 T CB 2.524 71.320 68.868 -0.120 0.000 1.156 454 T HN 0.867 nan 8.240 nan 0.000 0.490 455 E N 0.929 120.974 120.200 -0.258 0.000 2.430 455 E HA 0.461 4.811 4.350 -0.000 0.000 0.279 455 E C -1.384 175.179 176.600 -0.062 0.000 1.003 455 E CA -1.111 55.229 56.400 -0.099 0.000 0.801 455 E CB 1.877 31.527 29.700 -0.082 0.000 1.313 455 E HN 0.747 nan 8.360 nan 0.000 0.459 456 Q N 1.485 121.319 119.800 0.057 0.000 2.245 456 Q HA 0.470 4.810 4.340 -0.000 0.000 0.256 456 Q C -1.062 174.966 176.000 0.046 0.000 0.942 456 Q CA -0.712 55.153 55.803 0.103 0.000 0.896 456 Q CB 1.660 30.475 28.738 0.128 0.000 1.272 456 Q HN 0.537 nan 8.270 nan 0.000 0.442 457 R N 2.044 122.575 120.500 0.052 0.000 2.740 457 R HA 0.430 4.770 4.340 -0.000 0.000 0.273 457 R C -1.426 174.906 176.300 0.053 0.000 0.998 457 R CA -0.816 55.306 56.100 0.035 0.000 0.900 457 R CB 1.858 32.167 30.300 0.014 0.000 1.223 457 R HN 0.648 nan 8.270 nan 0.000 0.466 458 R N 1.511 122.034 120.500 0.037 0.000 2.297 458 R HA 0.453 4.793 4.340 -0.000 0.000 0.308 458 R C -0.541 175.776 176.300 0.029 0.000 1.029 458 R CA -0.081 56.043 56.100 0.040 0.000 0.929 458 R CB 1.392 31.709 30.300 0.028 0.000 1.046 458 R HN 0.712 nan 8.270 nan 0.000 0.461 459 A N 2.509 125.347 122.820 0.031 0.000 2.448 459 A HA 0.238 4.558 4.320 -0.000 0.000 0.239 459 A C -0.158 177.429 177.584 0.005 0.000 1.080 459 A CA 0.262 52.303 52.037 0.006 0.000 0.779 459 A CB 0.703 19.685 19.000 -0.030 0.000 1.026 459 A HN 0.647 nan 8.150 nan 0.000 0.499 460 T N -0.060 114.497 114.554 0.005 0.000 2.991 460 T HA 0.486 4.836 4.350 -0.000 0.000 0.303 460 T C -1.024 173.678 174.700 0.004 0.000 1.015 460 T CA 0.139 62.239 62.100 -0.000 0.000 1.007 460 T CB 0.148 69.009 68.868 -0.012 0.000 1.034 460 T HN 0.837 nan 8.240 nan 0.000 0.446 461 D N 3.022 123.418 120.400 -0.006 0.000 2.723 461 D HA -0.125 4.515 4.640 -0.000 0.000 0.236 461 D C 0.980 177.264 176.300 -0.026 0.000 1.138 461 D CA 1.608 55.601 54.000 -0.010 0.000 0.676 461 D CB -1.455 39.344 40.800 -0.000 0.000 1.069 461 D HN 1.318 nan 8.370 nan 0.000 0.430 462 G N -1.605 107.169 108.800 -0.043 0.000 2.225 462 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.267 462 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.267 462 G C 0.171 175.010 174.900 -0.102 0.000 1.024 462 G CA 0.250 45.300 45.100 -0.084 0.000 0.784 462 G HN 0.861 nan 8.290 nan 0.000 0.507 463 V N 0.696 120.571 119.914 -0.064 0.000 2.808 463 V HA 0.742 4.862 4.120 -0.000 0.000 0.308 463 V C 0.045 176.134 176.094 -0.008 0.000 1.099 463 V CA -0.580 61.683 62.300 -0.062 0.000 0.920 463 V CB 2.033 33.832 31.823 -0.040 0.000 1.014 463 V HN 0.826 nan 8.190 nan 0.000 0.425 464 I N 1.939 122.482 120.570 -0.045 0.000 2.530 464 I HA 0.684 4.854 4.170 -0.000 0.000 0.297 464 I C -0.895 175.216 176.117 -0.011 0.000 1.011 464 I CA -0.475 60.838 61.300 0.022 0.000 1.107 464 I CB 1.916 39.911 38.000 -0.009 0.000 1.285 464 I HN 0.582 nan 8.210 nan 0.000 0.436 465 H N 5.901 124.928 119.070 -0.071 0.000 2.581 465 H HA 0.589 5.145 4.556 -0.000 0.000 0.308 465 H C -0.894 174.390 175.328 -0.072 0.000 1.040 465 H CA -0.310 55.694 56.048 -0.073 0.000 1.231 465 H CB 1.226 30.951 29.762 -0.062 0.000 1.396 465 H HN 0.475 nan 8.280 nan 0.000 0.467 466 L N 2.686 123.898 121.223 -0.018 0.000 2.282 466 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 466 L C -0.146 176.700 176.870 -0.040 0.000 1.033 466 L CA -0.563 54.255 54.840 -0.037 0.000 0.807 466 L CB 1.294 43.307 42.059 -0.076 0.000 1.209 466 L HN 0.508 nan 8.230 nan 0.000 0.423 467 S N 4.977 120.660 115.700 -0.027 0.000 2.422 467 S HA 0.585 5.055 4.470 -0.000 0.000 0.308 467 S C -0.216 174.360 174.600 -0.040 0.000 1.097 467 S CA -0.426 57.754 58.200 -0.033 0.000 1.099 467 S CB 0.679 63.867 63.200 -0.019 0.000 0.976 467 S HN 0.355 nan 8.310 nan 0.000 0.471 468 I N 3.333 123.874 120.570 -0.049 0.000 2.382 468 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 468 I C -0.554 175.543 176.117 -0.034 0.000 1.002 468 I CA -0.964 60.307 61.300 -0.048 0.000 1.135 468 I CB 1.506 39.464 38.000 -0.069 0.000 1.288 468 I HN 0.270 nan 8.210 nan 0.000 0.448 469 V N 7.047 126.951 119.914 -0.016 0.000 2.432 469 V HA 0.403 4.523 4.120 -0.000 0.000 0.275 469 V C -0.023 176.077 176.094 0.010 0.000 1.043 469 V CA -0.528 61.770 62.300 -0.004 0.000 0.925 469 V CB 1.210 33.036 31.823 0.006 0.000 0.985 469 V HN 0.482 nan 8.190 nan 0.000 0.466 470 L N 4.941 126.169 121.223 0.010 0.000 2.305 470 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 470 L C 0.764 177.657 176.870 0.040 0.000 1.013 470 L CA 0.023 54.881 54.840 0.030 0.000 0.819 470 L CB 2.032 44.101 42.059 0.017 0.000 1.227 470 L HN 0.914 nan 8.230 nan 0.000 0.417 471 S N 2.425 118.159 115.700 0.058 0.000 2.632 471 S HA 0.283 4.753 4.470 -0.000 0.000 0.267 471 S C 0.002 174.637 174.600 0.058 0.000 1.193 471 S CA -0.676 57.552 58.200 0.048 0.000 1.003 471 S CB 0.630 63.854 63.200 0.040 0.000 1.073 471 S HN 0.554 nan 8.310 nan 0.000 0.553 472 K N 0.663 121.093 120.400 0.051 0.000 2.412 472 K HA 0.064 4.384 4.320 -0.000 0.000 0.281 472 K C -0.328 176.324 176.600 0.087 0.000 1.027 472 K CA 0.139 56.464 56.287 0.062 0.000 0.989 472 K CB -0.318 32.212 32.500 0.050 0.000 0.935 472 K HN 0.612 nan 8.250 nan 0.000 0.475 473 N N 1.917 120.682 118.700 0.108 0.000 2.708 473 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 473 N C -0.815 174.790 175.510 0.158 0.000 1.097 473 N CA 1.136 54.269 53.050 0.138 0.000 0.710 473 N CB -1.037 37.524 38.487 0.123 0.000 1.032 473 N HN 0.795 nan 8.380 nan 0.000 0.551 474 E N 0.205 120.500 120.200 0.158 0.000 2.373 474 E HA 0.353 4.703 4.350 -0.000 0.000 0.267 474 E C -0.556 176.188 176.600 0.240 0.000 1.032 474 E CA -0.341 56.169 56.400 0.184 0.000 0.889 474 E CB 0.829 30.617 29.700 0.147 0.000 0.984 474 E HN 0.042 nan 8.360 nan 0.000 0.425 475 V N 3.462 123.547 119.914 0.284 0.000 2.577 475 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 475 V C -0.232 176.081 176.094 0.365 0.000 1.042 475 V CA -0.731 61.788 62.300 0.364 0.000 0.872 475 V CB 1.838 33.899 31.823 0.397 0.000 0.998 475 V HN 0.755 nan 8.190 nan 0.000 0.423 476 T N 4.688 119.370 114.554 0.214 0.000 2.893 476 T HA 0.710 5.060 4.350 -0.000 0.000 0.293 476 T C -1.458 173.076 174.700 -0.276 0.000 1.027 476 T CA -0.393 61.688 62.100 -0.032 0.000 0.988 476 T CB 1.444 70.293 68.868 -0.031 0.000 1.043 476 T HN 0.588 nan 8.240 nan 0.000 0.461 477 L N 5.523 126.306 121.223 -0.733 0.000 2.317 477 L HA 0.834 5.174 4.340 -0.000 0.000 0.281 477 L C -1.462 175.161 176.870 -0.411 0.000 1.024 477 L CA -0.353 54.111 54.840 -0.627 0.000 0.810 477 L CB 1.038 42.538 42.059 -0.932 0.000 1.240 477 L HN 0.663 nan 8.230 nan 0.000 0.427 478 I N 3.984 124.385 120.570 -0.282 0.000 2.466 478 I HA 0.423 4.593 4.170 -0.000 0.000 0.289 478 I C -0.616 175.396 176.117 -0.176 0.000 1.026 478 I CA -0.306 60.863 61.300 -0.219 0.000 1.078 478 I CB 1.872 39.765 38.000 -0.178 0.000 1.249 478 I HN 0.589 nan 8.210 nan 0.000 0.429 479 E N 6.539 126.643 120.200 -0.160 0.000 2.165 479 E HA 0.566 4.916 4.350 -0.000 0.000 0.266 479 E C -1.049 175.503 176.600 -0.080 0.000 0.889 479 E CA -0.534 55.807 56.400 -0.099 0.000 0.756 479 E CB 2.237 31.895 29.700 -0.070 0.000 1.131 479 E HN 0.444 nan 8.360 nan 0.000 0.411 480 I N 4.092 124.653 120.570 -0.015 0.000 2.359 480 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 480 I C -0.049 176.160 176.117 0.153 0.000 1.018 480 I CA -0.433 60.897 61.300 0.049 0.000 1.173 480 I CB 0.704 38.735 38.000 0.051 0.000 1.326 480 I HN 0.298 nan 8.210 nan 0.000 0.462 481 E N 5.613 125.895 120.200 0.136 0.000 2.244 481 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 481 E C -0.894 175.637 176.600 -0.115 0.000 0.914 481 E CA -0.976 55.449 56.400 0.041 0.000 0.794 481 E CB 2.128 31.869 29.700 0.068 0.000 1.210 481 E HN 0.468 nan 8.360 nan 0.000 0.414 482 Q N 1.115 120.514 119.800 -0.669 0.000 2.313 482 Q HA 0.163 4.503 4.340 -0.000 0.000 0.266 482 Q C -0.942 174.883 176.000 -0.292 0.000 0.989 482 Q CA -0.195 55.076 55.803 -0.887 0.000 0.890 482 Q CB 0.779 28.756 28.738 -1.269 0.000 1.200 482 Q HN 0.246 nan 8.270 nan 0.000 0.396 483 V N 6.073 125.915 119.914 -0.120 0.000 2.364 483 V HA 0.276 4.396 4.120 -0.000 0.000 0.272 483 V C -0.074 175.988 176.094 -0.055 0.000 1.036 483 V CA -0.359 61.908 62.300 -0.055 0.000 0.880 483 V CB 1.089 32.924 31.823 0.020 0.000 0.991 483 V HN 0.751 nan 8.190 nan 0.000 0.460 484 R N 3.133 123.593 120.500 -0.067 0.000 2.296 484 R HA 0.227 4.567 4.340 -0.000 0.000 0.327 484 R C -0.325 175.963 176.300 -0.020 0.000 1.137 484 R CA -0.532 55.545 56.100 -0.037 0.000 1.020 484 R CB 0.334 30.607 30.300 -0.045 0.000 1.110 484 R HN 0.635 nan 8.270 nan 0.000 0.499 485 D N 2.328 122.726 120.400 -0.003 0.000 2.417 485 D HA -0.035 4.605 4.640 -0.000 0.000 0.250 485 D C 0.274 176.592 176.300 0.030 0.000 1.166 485 D CA 0.398 54.402 54.000 0.006 0.000 0.881 485 D CB 0.913 41.719 40.800 0.011 0.000 1.164 485 D HN 0.488 nan 8.370 nan 0.000 0.467 486 E N 1.404 121.639 120.200 0.059 0.000 2.481 486 E HA 0.013 4.363 4.350 -0.000 0.000 0.198 486 E C 1.400 178.145 176.600 0.241 0.000 1.027 486 E CA 0.001 56.478 56.400 0.129 0.000 0.900 486 E CB 0.406 30.197 29.700 0.153 0.000 0.993 486 E HN 0.442 nan 8.360 nan 0.000 0.482 487 T N 1.040 115.674 114.554 0.133 0.000 2.699 487 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 487 T C 2.160 176.966 174.700 0.178 0.000 1.036 487 T CA 1.831 63.990 62.100 0.099 0.000 1.147 487 T CB -0.350 68.495 68.868 -0.039 0.000 0.862 487 T HN 0.319 nan 8.240 nan 0.000 0.446 488 S N 0.821 116.587 115.700 0.110 0.000 2.419 488 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 488 S C 2.075 176.729 174.600 0.090 0.000 1.019 488 S CA 1.723 59.972 58.200 0.083 0.000 0.982 488 S CB -1.002 62.227 63.200 0.048 0.000 0.789 488 S HN 0.428 nan 8.310 nan 0.000 0.490 489 T N 0.610 115.226 114.554 0.104 0.000 2.962 489 T HA 0.060 4.410 4.350 -0.000 0.000 0.270 489 T C -0.284 174.392 174.700 -0.040 0.000 1.088 489 T CA 0.675 62.777 62.100 0.003 0.000 1.127 489 T CB -0.416 68.415 68.868 -0.063 0.000 0.883 489 T HN 0.582 nan 8.240 nan 0.000 0.493 490 Y N 2.054 122.345 120.300 -0.016 0.000 2.735 490 Y HA 0.353 4.903 4.550 -0.000 0.000 0.354 490 Y C 0.260 176.152 175.900 -0.012 0.000 1.288 490 Y CA -1.172 56.918 58.100 -0.016 0.000 1.836 490 Y CB -0.783 37.664 38.460 -0.020 0.000 1.920 490 Y HN -0.150 nan 8.280 nan 0.000 0.438 491 V N 1.607 121.567 119.914 0.077 0.000 2.493 491 V HA 0.207 4.327 4.120 -0.000 0.000 0.292 491 V C 1.249 177.375 176.094 0.054 0.000 1.016 491 V CA 1.180 63.513 62.300 0.055 0.000 1.097 491 V CB 0.213 32.049 31.823 0.022 0.000 0.947 491 V HN 0.978 nan 8.190 nan 0.000 0.479 492 G N 3.821 112.650 108.800 0.049 0.000 2.175 492 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 492 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 492 G C 0.093 175.018 174.900 0.042 0.000 0.982 492 G CA 0.104 45.226 45.100 0.038 0.000 0.641 492 G HN 0.806 nan 8.290 nan 0.000 0.527 493 L N 1.088 122.347 121.223 0.060 0.000 2.499 493 L HA 0.529 4.869 4.340 -0.000 0.000 0.273 493 L C -0.424 176.453 176.870 0.012 0.000 1.195 493 L CA 0.482 55.348 54.840 0.043 0.000 0.882 493 L CB 0.743 42.828 42.059 0.043 0.000 1.133 493 L HN 0.183 nan 8.230 nan 0.000 0.483 494 D N 2.933 123.335 120.400 0.003 0.000 2.452 494 D HA 0.134 4.774 4.640 -0.000 0.000 0.226 494 D C 0.026 176.327 176.300 0.001 0.000 1.366 494 D CA -0.437 53.564 54.000 0.001 0.000 0.986 494 D CB 1.117 41.925 40.800 0.013 0.000 1.420 494 D HN 0.523 nan 8.370 nan 0.000 0.583 495 D N 2.067 122.461 120.400 -0.011 0.000 2.263 495 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 495 D C 2.002 178.338 176.300 0.061 0.000 0.971 495 D CA 1.027 55.025 54.000 -0.004 0.000 0.867 495 D CB 0.084 40.866 40.800 -0.030 0.000 0.929 495 D HN 0.631 nan 8.370 nan 0.000 0.492 496 G N 0.693 109.523 108.800 0.050 0.000 2.498 496 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 496 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 496 G C 1.345 176.279 174.900 0.055 0.000 1.119 496 G CA 0.239 45.374 45.100 0.057 0.000 0.766 496 G HN 0.215 nan 8.290 nan 0.000 0.552 497 E N -0.065 120.163 120.200 0.047 0.000 2.481 497 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 497 E C 0.564 177.199 176.600 0.058 0.000 1.047 497 E CA 0.008 56.433 56.400 0.043 0.000 0.867 497 E CB 0.376 30.093 29.700 0.029 0.000 0.858 497 E HN 0.468 nan 8.360 nan 0.000 0.513 498 I N 1.919 122.545 120.570 0.093 0.000 2.342 498 I HA 0.021 4.191 4.170 -0.000 0.000 0.291 498 I C 0.885 177.113 176.117 0.184 0.000 1.010 498 I CA -0.574 60.811 61.300 0.141 0.000 1.308 498 I CB 1.182 39.276 38.000 0.157 0.000 1.400 498 I HN -0.200 nan 8.210 nan 0.000 0.488 499 T N 3.774 118.404 114.554 0.127 0.000 2.849 499 T HA -0.031 4.319 4.350 -0.000 0.000 0.289 499 T C 1.071 175.778 174.700 0.011 0.000 1.010 499 T CA 0.719 62.856 62.100 0.063 0.000 1.161 499 T CB 0.227 69.118 68.868 0.038 0.000 0.989 499 T HN 1.214 nan 8.240 nan 0.000 0.523 500 S N 2.106 117.750 115.700 -0.092 0.000 2.261 500 S HA -0.198 4.272 4.470 -0.000 0.000 0.247 500 S C -0.046 174.303 174.600 -0.419 0.000 1.195 500 S CA 0.886 58.920 58.200 -0.276 0.000 1.464 500 S CB -2.580 60.377 63.200 -0.404 0.000 1.835 500 S HN 0.910 nan 8.310 nan 0.000 0.598 501 Y N 2.846 123.144 120.300 -0.004 0.000 2.354 501 Y HA 0.732 5.282 4.550 -0.000 0.000 0.322 501 Y C 1.012 176.908 175.900 -0.006 0.000 1.253 501 Y CA 0.392 58.489 58.100 -0.006 0.000 1.272 501 Y CB 1.727 40.182 38.460 -0.009 0.000 1.255 501 Y HN 0.648 nan 8.280 nan 0.000 0.500 502 S N 0.000 115.772 115.700 0.120 0.000 2.498 502 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 502 S CA 0.000 58.255 58.200 0.092 0.000 1.107 502 S CB 0.000 63.246 63.200 0.077 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517