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 1ui7_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNYDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQAIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.582 177.584 -0.003 0.000 1.274 9 A CA 0.000 52.038 52.037 0.001 0.000 0.836 9 A CB 0.000 19.007 19.000 0.011 0.000 0.831 10 S N 2.243 117.952 115.700 0.014 0.000 2.525 10 S HA 0.329 4.787 4.470 -0.019 0.000 0.285 10 S C -1.162 173.428 174.600 -0.018 0.000 1.283 10 S CA -0.213 58.012 58.200 0.042 0.000 1.072 10 S CB 0.576 63.836 63.200 0.101 0.000 0.867 10 S HN 0.399 nan 8.310 nan 0.000 0.492 11 P HA 0.014 nan 4.420 nan 0.000 0.239 11 P C 0.127 177.049 177.300 -0.629 0.000 1.184 11 P CA 0.742 63.620 63.100 -0.371 0.000 0.760 11 P CB -0.183 31.228 31.700 -0.482 0.000 0.884 12 F N 0.054 119.934 119.950 -0.118 0.000 2.682 12 F HA 0.220 4.736 4.527 -0.018 0.000 0.308 12 F C 1.554 177.299 175.800 -0.092 0.000 1.093 12 F CA -0.768 57.120 58.000 -0.187 0.000 1.244 12 F CB -0.062 38.818 39.000 -0.200 0.000 1.052 12 F HN -0.174 nan 8.300 nan 0.000 0.573 13 R N 0.937 121.477 120.500 0.067 0.000 2.784 13 R HA 0.238 4.566 4.340 -0.019 0.000 0.266 13 R C -0.157 176.173 176.300 0.049 0.000 1.044 13 R CA -0.420 55.724 56.100 0.075 0.000 1.151 13 R CB 0.392 30.724 30.300 0.054 0.000 1.037 13 R HN 0.141 nan 8.270 nan 0.000 0.478 14 L N 1.355 122.620 121.223 0.070 0.000 2.461 14 L HA 0.156 4.485 4.340 -0.019 0.000 0.272 14 L C 0.661 177.572 176.870 0.068 0.000 1.197 14 L CA -0.269 54.613 54.840 0.070 0.000 0.836 14 L CB 0.692 42.793 42.059 0.071 0.000 1.105 14 L HN 0.852 nan 8.230 nan 0.000 0.477 15 A N 2.530 125.401 122.820 0.085 0.000 2.488 15 A HA 0.343 4.652 4.320 -0.019 0.000 0.249 15 A C 0.390 178.052 177.584 0.130 0.000 1.083 15 A CA -0.207 51.933 52.037 0.170 0.000 0.768 15 A CB 0.060 19.222 19.000 0.271 0.000 1.017 15 A HN 0.755 nan 8.150 nan 0.000 0.496 16 S N 1.822 117.594 115.700 0.119 0.000 2.693 16 S HA 0.600 5.058 4.470 -0.019 0.000 0.276 16 S C 1.226 175.848 174.600 0.037 0.000 1.192 16 S CA -0.187 58.050 58.200 0.062 0.000 0.994 16 S CB 1.453 64.680 63.200 0.045 0.000 1.012 16 S HN 1.527 nan 8.310 nan 0.000 0.550 17 A N 1.354 124.183 122.820 0.014 0.000 1.933 17 A HA 0.142 4.451 4.320 -0.019 0.000 0.218 17 A C 2.142 179.711 177.584 -0.025 0.000 1.175 17 A CA 1.674 53.708 52.037 -0.005 0.000 0.628 17 A CB -1.789 17.209 19.000 -0.004 0.000 0.814 17 A HN 1.160 nan 8.150 nan 0.000 0.444 18 G N -0.536 108.253 108.800 -0.019 0.000 2.422 18 G HA2 -0.219 3.730 3.960 -0.019 0.000 0.218 18 G HA3 -0.219 3.730 3.960 -0.019 0.000 0.218 18 G C 1.438 176.296 174.900 -0.070 0.000 1.146 18 G CA 1.006 46.086 45.100 -0.034 0.000 0.769 18 G HN 0.661 nan 8.290 nan 0.000 0.547 19 E N -0.277 119.879 120.200 -0.074 0.000 2.152 19 E HA 0.035 4.373 4.350 -0.019 0.000 0.192 19 E C 2.465 178.836 176.600 -0.383 0.000 0.983 19 E CA 0.218 56.505 56.400 -0.189 0.000 0.818 19 E CB -0.040 29.627 29.700 -0.055 0.000 0.758 19 E HN 0.482 nan 8.360 nan 0.000 0.467 20 I N 0.538 120.963 120.570 -0.242 0.000 2.286 20 I HA -0.213 3.946 4.170 -0.019 0.000 0.245 20 I C 2.313 178.322 176.117 -0.180 0.000 1.104 20 I CA 0.697 61.856 61.300 -0.235 0.000 1.397 20 I CB -0.022 37.923 38.000 -0.091 0.000 1.072 20 I HN -0.027 nan 8.210 nan 0.000 0.417 21 S N 0.119 115.747 115.700 -0.121 0.000 2.383 21 S HA -0.209 4.250 4.470 -0.019 0.000 0.227 21 S C 1.895 176.432 174.600 -0.105 0.000 1.026 21 S CA 1.373 59.522 58.200 -0.085 0.000 0.981 21 S CB -0.170 62.997 63.200 -0.055 0.000 0.818 21 S HN 0.395 nan 8.310 nan 0.000 0.472 22 E N 1.246 121.362 120.200 -0.140 0.000 2.106 22 E HA -0.067 4.272 4.350 -0.019 0.000 0.192 22 E C 1.790 178.289 176.600 -0.169 0.000 0.984 22 E CA 0.874 57.191 56.400 -0.137 0.000 0.806 22 E CB -0.252 29.366 29.700 -0.136 0.000 0.750 22 E HN 0.244 nan 8.360 nan 0.000 0.458 23 V N 1.002 120.756 119.914 -0.267 0.000 2.427 23 V HA -0.249 3.859 4.120 -0.019 0.000 0.248 23 V C 2.565 178.577 176.094 -0.137 0.000 1.051 23 V CA 2.150 64.295 62.300 -0.260 0.000 1.048 23 V CB -0.611 30.958 31.823 -0.423 0.000 0.666 23 V HN 0.417 nan 8.190 nan 0.000 0.456 24 Q N 0.278 120.009 119.800 -0.114 0.000 2.050 24 Q HA -0.159 4.169 4.340 -0.019 0.000 0.202 24 Q C 2.291 178.266 176.000 -0.042 0.000 0.980 24 Q CA 2.073 57.843 55.803 -0.056 0.000 0.840 24 Q CB -0.508 28.208 28.738 -0.036 0.000 0.898 24 Q HN 0.617 nan 8.270 nan 0.000 0.424 25 G N 1.231 110.000 108.800 -0.051 0.000 2.440 25 G HA2 -0.252 3.696 3.960 -0.019 0.000 0.218 25 G HA3 -0.252 3.696 3.960 -0.019 0.000 0.218 25 G C 1.428 176.308 174.900 -0.035 0.000 1.154 25 G CA 1.014 46.091 45.100 -0.038 0.000 0.767 25 G HN 0.387 nan 8.290 nan 0.000 0.552 26 I N 0.244 120.786 120.570 -0.047 0.000 2.226 26 I HA -0.113 4.046 4.170 -0.019 0.000 0.245 26 I C 2.703 178.807 176.117 -0.021 0.000 1.100 26 I CA 0.611 61.890 61.300 -0.035 0.000 1.374 26 I CB -0.176 37.796 38.000 -0.046 0.000 1.057 26 I HN 0.140 nan 8.210 nan 0.000 0.413 27 L N 0.019 121.230 121.223 -0.021 0.000 2.027 27 L HA -0.179 4.149 4.340 -0.019 0.000 0.206 27 L C 2.781 179.651 176.870 -0.001 0.000 1.074 27 L CA 1.325 56.163 54.840 -0.004 0.000 0.745 27 L CB -0.565 41.494 42.059 -0.000 0.000 0.898 27 L HN 0.138 nan 8.230 nan 0.000 0.433 28 R N -0.472 120.026 120.500 -0.004 0.000 2.082 28 R HA -0.160 4.169 4.340 -0.019 0.000 0.234 28 R C 2.301 178.599 176.300 -0.004 0.000 1.136 28 R CA 2.133 58.233 56.100 -0.001 0.000 0.935 28 R CB -0.769 29.529 30.300 -0.003 0.000 0.842 28 R HN 0.278 nan 8.270 nan 0.000 0.430 29 T N 0.629 115.178 114.554 -0.008 0.000 2.737 29 T HA -0.192 4.147 4.350 -0.019 0.000 0.269 29 T C 1.657 176.354 174.700 -0.005 0.000 1.040 29 T CA 1.538 63.633 62.100 -0.008 0.000 1.142 29 T CB -0.193 68.668 68.868 -0.011 0.000 0.861 29 T HN 0.416 nan 8.240 nan 0.000 0.456 30 A N 0.187 123.005 122.820 -0.003 0.000 2.238 30 A HA 0.491 4.800 4.320 -0.019 0.000 0.208 30 A C 1.851 179.437 177.584 0.002 0.000 1.177 30 A CA 0.824 52.862 52.037 0.001 0.000 0.804 30 A CB -0.712 18.291 19.000 0.004 0.000 0.823 30 A HN 0.770 nan 8.150 nan 0.000 0.482 31 G N -1.166 107.635 108.800 0.001 0.000 2.176 31 G HA2 -0.235 3.714 3.960 -0.019 0.000 0.252 31 G HA3 -0.235 3.714 3.960 -0.019 0.000 0.252 31 G C 0.498 175.400 174.900 0.004 0.000 1.024 31 G CA 0.538 45.639 45.100 0.001 0.000 0.755 31 G HN 0.504 nan 8.290 nan 0.000 0.507 32 L N -1.559 119.669 121.223 0.008 0.000 2.638 32 L HA 0.445 4.774 4.340 -0.019 0.000 0.232 32 L C 1.176 178.057 176.870 0.017 0.000 1.099 32 L CA 0.083 54.931 54.840 0.013 0.000 0.883 32 L CB 0.528 42.599 42.059 0.021 0.000 1.136 32 L HN 0.207 nan 8.230 nan 0.000 0.492 33 L N 0.630 121.863 121.223 0.017 0.000 2.839 33 L HA 0.498 4.827 4.340 -0.019 0.000 0.259 33 L C 0.637 177.526 176.870 0.032 0.000 1.369 33 L CA -0.206 54.651 54.840 0.028 0.000 0.845 33 L CB 0.339 42.416 42.059 0.031 0.000 1.181 33 L HN -0.059 nan 8.230 nan 0.000 0.529 34 G N 0.462 109.276 108.800 0.023 0.000 2.553 34 G HA2 0.306 4.255 3.960 -0.019 0.000 0.278 34 G HA3 0.306 4.255 3.960 -0.019 0.000 0.278 34 G C -1.647 173.277 174.900 0.041 0.000 1.349 34 G CA -0.722 44.391 45.100 0.022 0.000 1.037 34 G HN 0.350 nan 8.290 nan 0.000 0.508 35 P HA -0.039 nan 4.420 nan 0.000 0.219 35 P C 1.344 178.684 177.300 0.068 0.000 1.146 35 P CA 0.907 64.037 63.100 0.051 0.000 0.808 35 P CB 0.303 32.015 31.700 0.020 0.000 0.779 36 E N -0.879 119.339 120.200 0.030 0.000 2.489 36 E HA 0.037 4.376 4.350 -0.019 0.000 0.193 36 E C 0.276 176.863 176.600 -0.022 0.000 1.057 36 E CA 0.606 57.007 56.400 0.002 0.000 0.866 36 E CB 0.034 29.714 29.700 -0.032 0.000 0.916 36 E HN 0.310 nan 8.360 nan 0.000 0.500 37 K N 1.452 121.861 120.400 0.016 0.000 2.130 37 K HA 0.369 4.678 4.320 -0.019 0.000 0.268 37 K C 0.303 176.919 176.600 0.028 0.000 0.983 37 K CA -0.560 55.728 56.287 0.003 0.000 0.893 37 K CB 1.518 34.030 32.500 0.020 0.000 1.066 37 K HN -0.184 nan 8.250 nan 0.000 0.450 38 R N 1.896 122.402 120.500 0.009 0.000 2.574 38 R HA 0.414 4.743 4.340 -0.019 0.000 0.288 38 R C -0.270 176.038 176.300 0.014 0.000 1.004 38 R CA -0.911 55.167 56.100 -0.038 0.000 0.895 38 R CB 1.201 31.507 30.300 0.010 0.000 1.191 38 R HN 0.476 nan 8.270 nan 0.000 0.444 39 I N 2.746 123.289 120.570 -0.044 0.000 2.421 39 I HA 0.094 4.253 4.170 -0.019 0.000 0.291 39 I C 1.344 177.470 176.117 0.016 0.000 1.089 39 I CA 0.142 61.442 61.300 0.000 0.000 1.354 39 I CB 0.576 38.549 38.000 -0.045 0.000 1.413 39 I HN 0.689 nan 8.210 nan 0.000 0.513 40 A N 6.828 129.717 122.820 0.115 0.000 2.195 40 A HA 0.053 4.361 4.320 -0.019 0.000 0.210 40 A C 0.304 178.012 177.584 0.207 0.000 1.165 40 A CA 0.425 52.544 52.037 0.136 0.000 0.806 40 A CB 0.138 19.240 19.000 0.171 0.000 0.847 40 A HN 0.653 nan 8.150 nan 0.000 0.482 41 Y N -1.835 118.472 120.300 0.010 0.000 2.409 41 Y HA 0.508 5.047 4.550 -0.019 0.000 0.321 41 Y C -2.014 173.759 175.900 -0.213 0.000 1.209 41 Y CA -1.143 56.857 58.100 -0.167 0.000 1.086 41 Y CB 0.854 39.053 38.460 -0.435 0.000 1.320 41 Y HN 0.128 nan 8.280 nan 0.000 0.440 42 L N 5.862 126.374 121.223 -1.185 0.000 2.470 42 L HA 1.000 5.329 4.340 -0.019 0.000 0.268 42 L C -1.165 175.202 176.870 -0.838 0.000 0.964 42 L CA -0.249 54.108 54.840 -0.806 0.000 0.839 42 L CB 1.931 43.812 42.059 -0.297 0.000 1.276 42 L HN 0.939 nan 8.230 nan 0.000 0.403 43 G N 3.203 111.653 108.800 -0.582 0.000 2.759 43 G HA2 0.438 4.387 3.960 -0.019 0.000 0.297 43 G HA3 0.438 4.387 3.960 -0.019 0.000 0.297 43 G C -1.676 173.085 174.900 -0.233 0.000 1.434 43 G CA -0.537 44.398 45.100 -0.276 0.000 0.980 43 G HN 0.517 nan 8.290 nan 0.000 0.531 44 V N 2.334 121.961 119.914 -0.478 0.000 2.843 44 V HA 0.469 4.578 4.120 -0.019 0.000 0.305 44 V C 0.255 176.099 176.094 -0.417 0.000 1.065 44 V CA -0.101 61.648 62.300 -0.920 0.000 1.116 44 V CB 0.561 31.793 31.823 -0.986 0.000 0.968 44 V HN 0.557 nan 8.190 nan 0.000 0.487 45 L N 5.049 126.043 121.223 -0.381 0.000 2.360 45 L HA 0.509 4.838 4.340 -0.019 0.000 0.271 45 L C -0.050 176.688 176.870 -0.220 0.000 1.057 45 L CA -0.852 53.872 54.840 -0.194 0.000 0.803 45 L CB 1.321 43.307 42.059 -0.122 0.000 1.207 45 L HN 0.599 nan 8.230 nan 0.000 0.445 46 D N 1.626 121.941 120.400 -0.142 0.000 2.339 46 D HA 0.244 4.873 4.640 -0.019 0.000 0.245 46 D C -2.124 174.061 176.300 -0.191 0.000 1.115 46 D CA -1.009 52.886 54.000 -0.176 0.000 0.917 46 D CB 0.683 41.481 40.800 -0.004 0.000 1.192 46 D HN 0.218 nan 8.370 nan 0.000 0.428 47 P HA 0.127 nan 4.420 nan 0.000 0.265 47 P C -0.645 176.600 177.300 -0.092 0.000 1.193 47 P CA -0.064 62.899 63.100 -0.229 0.000 0.765 47 P CB 0.429 31.931 31.700 -0.330 0.000 0.823 48 A N 3.172 125.954 122.820 -0.064 0.000 2.547 48 A HA -0.044 4.264 4.320 -0.019 0.000 0.233 48 A C 1.818 179.381 177.584 -0.034 0.000 1.067 48 A CA 0.111 52.133 52.037 -0.025 0.000 0.763 48 A CB 0.087 19.074 19.000 -0.022 0.000 1.007 48 A HN 0.506 nan 8.150 nan 0.000 0.506 49 R N 1.407 121.882 120.500 -0.041 0.000 2.171 49 R HA -0.159 4.170 4.340 -0.019 0.000 0.232 49 R C 2.030 178.258 176.300 -0.120 0.000 1.116 49 R CA 2.813 58.823 56.100 -0.151 0.000 0.901 49 R CB -1.336 28.849 30.300 -0.191 0.000 0.850 49 R HN 0.863 nan 8.270 nan 0.000 0.431 50 G N -2.060 106.693 108.800 -0.077 0.000 2.658 50 G HA2 0.259 4.207 3.960 -0.019 0.000 0.217 50 G HA3 0.259 4.207 3.960 -0.019 0.000 0.217 50 G C -0.122 174.768 174.900 -0.016 0.000 1.319 50 G CA 0.565 45.640 45.100 -0.043 0.000 0.885 50 G HN 0.566 nan 8.290 nan 0.000 0.553 51 A N -0.125 122.686 122.820 -0.015 0.000 3.176 51 A HA 0.597 4.905 4.320 -0.019 0.000 0.265 51 A C 1.231 178.807 177.584 -0.014 0.000 0.936 51 A CA 0.715 52.746 52.037 -0.010 0.000 1.033 51 A CB 0.312 19.310 19.000 -0.004 0.000 1.158 51 A HN 0.716 nan 8.150 nan 0.000 0.485 52 G N -0.290 108.499 108.800 -0.019 0.000 2.813 52 G HA2 0.312 4.261 3.960 -0.019 0.000 0.209 52 G HA3 0.312 4.261 3.960 -0.019 0.000 0.209 52 G C 0.385 175.272 174.900 -0.022 0.000 1.150 52 G CA 0.698 45.787 45.100 -0.018 0.000 0.785 52 G HN 0.496 nan 8.290 nan 0.000 0.535 53 S N -0.781 114.902 115.700 -0.027 0.000 2.538 53 S HA 0.417 4.875 4.470 -0.019 0.000 0.288 53 S C 0.246 174.831 174.600 -0.024 0.000 1.108 53 S CA -0.629 57.552 58.200 -0.031 0.000 0.971 53 S CB 2.760 65.928 63.200 -0.053 0.000 1.041 53 S HN 0.207 nan 8.310 nan 0.000 0.483 54 E N 2.984 123.173 120.200 -0.019 0.000 2.013 54 E HA 0.180 4.518 4.350 -0.019 0.000 0.196 54 E C 1.708 178.299 176.600 -0.015 0.000 0.964 54 E CA 1.456 57.848 56.400 -0.013 0.000 0.854 54 E CB -0.518 29.177 29.700 -0.009 0.000 0.816 54 E HN 0.646 nan 8.360 nan 0.000 0.489 55 A N 0.052 122.863 122.820 -0.015 0.000 1.991 55 A HA 0.108 4.417 4.320 -0.019 0.000 0.217 55 A C 0.098 177.666 177.584 -0.028 0.000 1.487 55 A CA 1.283 53.310 52.037 -0.016 0.000 0.603 55 A CB -0.528 18.465 19.000 -0.012 0.000 1.112 55 A HN 0.432 nan 8.150 nan 0.000 0.492 56 E N -0.390 119.791 120.200 -0.032 0.000 2.361 56 E HA 0.485 4.824 4.350 -0.019 0.000 0.270 56 E C -2.047 174.527 176.600 -0.043 0.000 0.911 56 E CA -0.586 55.783 56.400 -0.051 0.000 0.818 56 E CB 1.145 30.814 29.700 -0.052 0.000 1.332 56 E HN 0.118 nan 8.360 nan 0.000 0.402 57 D N 2.912 123.280 120.400 -0.054 0.000 2.454 57 D HA 0.192 4.821 4.640 -0.019 0.000 0.225 57 D C -0.721 175.551 176.300 -0.046 0.000 1.081 57 D CA -0.671 53.309 54.000 -0.034 0.000 0.864 57 D CB 0.612 41.397 40.800 -0.026 0.000 1.040 57 D HN 0.239 nan 8.370 nan 0.000 0.517 58 R N 3.680 124.174 120.500 -0.009 0.000 2.242 58 R HA 0.371 4.700 4.340 -0.019 0.000 0.334 58 R C 0.183 176.547 176.300 0.106 0.000 1.071 58 R CA -0.176 55.930 56.100 0.010 0.000 0.922 58 R CB 0.633 30.997 30.300 0.108 0.000 1.023 58 R HN 0.404 nan 8.270 nan 0.000 0.458 59 R N 2.266 122.767 120.500 0.001 0.000 2.778 59 R HA 0.530 4.859 4.340 -0.019 0.000 0.277 59 R C -0.729 175.580 176.300 0.014 0.000 0.977 59 R CA -0.684 55.473 56.100 0.096 0.000 0.950 59 R CB 1.479 31.788 30.300 0.016 0.000 1.165 59 R HN 0.234 nan 8.270 nan 0.000 0.474 60 F N 0.443 120.375 119.950 -0.031 0.000 2.540 60 F HA 0.471 4.987 4.527 -0.018 0.000 0.317 60 F C 0.246 176.036 175.800 -0.017 0.000 1.104 60 F CA -0.864 57.111 58.000 -0.041 0.000 0.913 60 F CB 1.857 40.818 39.000 -0.064 0.000 1.170 60 F HN 0.199 nan 8.300 nan 0.000 0.450 61 R N 1.862 122.441 120.500 0.132 0.000 2.460 61 R HA 0.883 5.211 4.340 -0.019 0.000 0.303 61 R C -1.816 174.524 176.300 0.066 0.000 0.968 61 R CA -0.528 55.655 56.100 0.138 0.000 0.889 61 R CB 1.469 31.870 30.300 0.170 0.000 1.123 61 R HN 0.557 nan 8.270 nan 0.000 0.455 62 V N 4.191 124.181 119.914 0.126 0.000 2.841 62 V HA 0.520 4.629 4.120 -0.019 0.000 0.310 62 V C -1.199 175.121 176.094 0.377 0.000 1.090 62 V CA -0.861 61.490 62.300 0.084 0.000 0.930 62 V CB 2.004 33.873 31.823 0.077 0.000 1.014 62 V HN 0.562 nan 8.190 nan 0.000 0.425 63 F N 3.680 123.772 119.950 0.237 0.000 2.402 63 F HA 0.638 5.153 4.527 -0.019 0.000 0.355 63 F C 0.050 175.935 175.800 0.142 0.000 1.123 63 F CA -1.746 56.396 58.000 0.237 0.000 1.021 63 F CB 1.403 40.596 39.000 0.322 0.000 1.160 63 F HN 0.222 nan 8.300 nan 0.000 0.451 64 I N 3.887 124.627 120.570 0.283 0.000 2.330 64 I HA 0.219 4.378 4.170 -0.019 0.000 0.289 64 I C -0.256 175.944 176.117 0.137 0.000 1.001 64 I CA -0.732 60.666 61.300 0.164 0.000 1.193 64 I CB 1.267 39.328 38.000 0.101 0.000 1.345 64 I HN 0.500 nan 8.210 nan 0.000 0.461 65 H N 5.838 124.925 119.070 0.028 0.000 2.481 65 H HA 0.302 4.846 4.556 -0.019 0.000 0.339 65 H C -1.052 174.265 175.328 -0.018 0.000 1.131 65 H CA -0.296 55.745 56.048 -0.011 0.000 1.301 65 H CB 1.310 31.058 29.762 -0.023 0.000 1.476 65 H HN 0.516 nan 8.280 nan 0.000 0.529 66 D N 4.370 124.330 120.400 -0.734 0.000 2.440 66 D HA 0.072 4.700 4.640 -0.019 0.000 0.239 66 D C 1.158 177.033 176.300 -0.709 0.000 1.084 66 D CA -0.450 53.239 54.000 -0.520 0.000 0.843 66 D CB 1.350 41.993 40.800 -0.263 0.000 1.097 66 D HN 0.513 nan 8.370 nan 0.000 0.531 67 V N 2.261 121.918 119.914 -0.427 0.000 3.026 67 V HA -0.120 3.988 4.120 -0.019 0.000 0.265 67 V C 1.601 177.631 176.094 -0.107 0.000 1.121 67 V CA 1.874 64.056 62.300 -0.196 0.000 1.142 67 V CB -0.799 31.005 31.823 -0.031 0.000 0.730 67 V HN 0.495 nan 8.190 nan 0.000 0.503 68 S N -0.608 115.020 115.700 -0.121 0.000 2.548 68 S HA 0.481 4.939 4.470 -0.019 0.000 0.215 68 S C 1.660 176.218 174.600 -0.071 0.000 0.976 68 S CA 0.727 58.885 58.200 -0.071 0.000 0.908 68 S CB 0.474 63.640 63.200 -0.057 0.000 0.781 68 S HN 1.691 nan 8.310 nan 0.000 0.519 69 G N 0.577 109.317 108.800 -0.101 0.000 2.211 69 G HA2 -0.014 3.934 3.960 -0.019 0.000 0.201 69 G HA3 -0.014 3.934 3.960 -0.019 0.000 0.201 69 G C 0.303 175.156 174.900 -0.079 0.000 0.997 69 G CA -0.189 44.868 45.100 -0.072 0.000 0.652 69 G HN 1.164 nan 8.290 nan 0.000 0.500 70 A N 0.549 123.311 122.820 -0.097 0.000 2.466 70 A HA 0.629 4.938 4.320 -0.019 0.000 0.238 70 A C 0.907 178.436 177.584 -0.091 0.000 1.074 70 A CA 0.236 52.223 52.037 -0.084 0.000 0.774 70 A CB 0.169 19.120 19.000 -0.080 0.000 1.015 70 A HN 0.538 nan 8.150 nan 0.000 0.498 71 R N 1.449 121.903 120.500 -0.078 0.000 2.585 71 R HA 0.152 4.481 4.340 -0.019 0.000 0.275 71 R C -2.059 174.189 176.300 -0.087 0.000 1.018 71 R CA -0.689 55.360 56.100 -0.085 0.000 1.072 71 R CB 0.055 30.306 30.300 -0.082 0.000 0.953 71 R HN 0.610 nan 8.270 nan 0.000 0.419 72 P HA 0.110 nan 4.420 nan 0.000 0.282 72 P C -1.104 176.146 177.300 -0.084 0.000 1.287 72 P CA -0.402 62.653 63.100 -0.074 0.000 0.792 72 P CB 0.967 32.630 31.700 -0.062 0.000 1.163 73 Q N -1.036 118.746 119.800 -0.029 0.000 2.421 73 Q HA 0.392 4.721 4.340 -0.019 0.000 0.280 73 Q C -0.917 175.138 176.000 0.093 0.000 1.085 73 Q CA -0.698 55.105 55.803 0.001 0.000 0.807 73 Q CB 2.615 31.369 28.738 0.027 0.000 1.405 73 Q HN 0.437 nan 8.270 nan 0.000 0.419 74 E N 1.663 121.936 120.200 0.121 0.000 2.129 74 E HA 0.475 4.813 4.350 -0.019 0.000 0.268 74 E C -1.535 175.202 176.600 0.229 0.000 0.900 74 E CA -0.501 56.075 56.400 0.292 0.000 0.755 74 E CB 1.413 31.291 29.700 0.297 0.000 1.117 74 E HN 0.325 nan 8.360 nan 0.000 0.410 75 V N 3.214 123.280 119.914 0.252 0.000 2.735 75 V HA 0.423 4.532 4.120 -0.019 0.000 0.310 75 V C -0.191 176.000 176.094 0.162 0.000 1.061 75 V CA -0.778 61.621 62.300 0.165 0.000 0.913 75 V CB 2.164 34.059 31.823 0.121 0.000 1.005 75 V HN 0.685 nan 8.190 nan 0.000 0.428 76 T N 3.346 117.974 114.554 0.123 0.000 2.792 76 T HA 0.671 5.010 4.350 -0.019 0.000 0.280 76 T C -0.581 174.174 174.700 0.092 0.000 0.990 76 T CA -0.312 61.856 62.100 0.114 0.000 0.960 76 T CB 1.684 70.608 68.868 0.094 0.000 0.939 76 T HN 0.387 nan 8.240 nan 0.000 0.439 77 V N 2.270 122.249 119.914 0.108 0.000 2.864 77 V HA 0.672 4.781 4.120 -0.019 0.000 0.314 77 V C -0.065 176.094 176.094 0.109 0.000 1.073 77 V CA -0.788 61.563 62.300 0.084 0.000 0.956 77 V CB 2.298 34.153 31.823 0.052 0.000 1.023 77 V HN 0.851 nan 8.190 nan 0.000 0.435 78 S N 2.627 118.368 115.700 0.069 0.000 2.528 78 S HA 0.211 4.670 4.470 -0.019 0.000 0.303 78 S C 0.654 175.285 174.600 0.052 0.000 1.123 78 S CA -0.274 57.970 58.200 0.072 0.000 1.138 78 S CB 1.184 64.407 63.200 0.039 0.000 0.984 78 S HN 0.629 nan 8.310 nan 0.000 0.474 79 V N 5.320 125.282 119.914 0.081 0.000 2.720 79 V HA -0.086 4.022 4.120 -0.019 0.000 0.256 79 V C 1.984 178.083 176.094 0.008 0.000 1.082 79 V CA 2.668 64.964 62.300 -0.006 0.000 1.101 79 V CB -0.751 31.023 31.823 -0.081 0.000 0.693 79 V HN 0.967 nan 8.190 nan 0.000 0.479 80 T N 0.858 115.433 114.554 0.036 0.000 2.698 80 T HA -0.102 4.237 4.350 -0.019 0.000 0.260 80 T C 1.585 176.289 174.700 0.006 0.000 1.044 80 T CA 1.683 63.794 62.100 0.018 0.000 1.149 80 T CB -0.330 68.549 68.868 0.018 0.000 0.864 80 T HN 0.508 nan 8.240 nan 0.000 0.419 81 N N 0.678 119.382 118.700 0.007 0.000 2.412 81 N HA 0.132 4.861 4.740 -0.019 0.000 0.184 81 N C 1.326 176.835 175.510 -0.002 0.000 1.101 81 N CA 0.684 53.736 53.050 0.002 0.000 0.881 81 N CB 0.077 38.567 38.487 0.005 0.000 0.969 81 N HN 0.572 nan 8.380 nan 0.000 0.459 82 G N 1.443 110.240 108.800 -0.005 0.000 2.246 82 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.273 82 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.273 82 G C 0.135 175.031 174.900 -0.007 0.000 1.055 82 G CA 0.922 46.014 45.100 -0.013 0.000 0.851 82 G HN 0.525 nan 8.290 nan 0.000 0.500 83 T N -3.649 110.906 114.554 0.002 0.000 2.930 83 T HA 0.715 5.054 4.350 -0.019 0.000 0.290 83 T C -0.348 174.361 174.700 0.014 0.000 1.052 83 T CA -0.705 61.399 62.100 0.007 0.000 1.017 83 T CB 2.870 71.744 68.868 0.009 0.000 1.137 83 T HN 0.740 nan 8.240 nan 0.000 0.511 84 V N 2.838 122.761 119.914 0.016 0.000 2.333 84 V HA 0.254 4.363 4.120 -0.019 0.000 0.274 84 V C 0.813 176.924 176.094 0.027 0.000 1.028 84 V CA -0.511 61.804 62.300 0.025 0.000 0.851 84 V CB 0.452 32.289 31.823 0.023 0.000 1.000 84 V HN 0.854 nan 8.190 nan 0.000 0.456 85 I N 3.753 124.344 120.570 0.035 0.000 2.353 85 I HA -0.027 4.132 4.170 -0.019 0.000 0.248 85 I C 1.129 177.265 176.117 0.033 0.000 1.119 85 I CA 1.179 62.498 61.300 0.031 0.000 1.417 85 I CB -0.012 38.008 38.000 0.034 0.000 1.078 85 I HN 0.797 nan 8.210 nan 0.000 0.421 86 S N -0.809 114.917 115.700 0.043 0.000 2.567 86 S HA 0.855 5.314 4.470 -0.019 0.000 0.270 86 S C -1.013 173.621 174.600 0.056 0.000 1.152 86 S CA -0.318 57.909 58.200 0.045 0.000 0.835 86 S CB 1.754 64.982 63.200 0.048 0.000 1.115 86 S HN 0.314 nan 8.310 nan 0.000 0.459 87 A N 0.933 123.782 122.820 0.049 0.000 2.541 87 A HA 0.643 4.952 4.320 -0.019 0.000 0.285 87 A C -0.576 177.030 177.584 0.038 0.000 1.058 87 A CA -0.208 51.861 52.037 0.053 0.000 0.886 87 A CB 0.482 19.507 19.000 0.041 0.000 1.411 87 A HN 2.155 nan 8.150 nan 0.000 0.403 88 V N -0.373 119.566 119.914 0.042 0.000 2.815 88 V HA 0.807 4.916 4.120 -0.019 0.000 0.314 88 V C -0.155 175.934 176.094 -0.007 0.000 1.064 88 V CA -0.786 61.524 62.300 0.017 0.000 0.952 88 V CB 1.716 33.551 31.823 0.020 0.000 1.020 88 V HN 0.849 nan 8.190 nan 0.000 0.439 89 E N 1.957 122.139 120.200 -0.031 0.000 2.266 89 E HA 0.625 4.963 4.350 -0.019 0.000 0.277 89 E C -1.289 175.250 176.600 -0.102 0.000 1.018 89 E CA -0.736 55.627 56.400 -0.061 0.000 0.840 89 E CB 1.612 31.280 29.700 -0.053 0.000 1.082 89 E HN 0.736 nan 8.360 nan 0.000 0.395 90 L N 2.898 124.024 121.223 -0.161 0.000 2.307 90 L HA 0.291 4.620 4.340 -0.019 0.000 0.284 90 L C -0.113 176.624 176.870 -0.221 0.000 1.023 90 L CA -0.696 53.993 54.840 -0.251 0.000 0.810 90 L CB 1.339 43.120 42.059 -0.463 0.000 1.231 90 L HN 0.458 nan 8.230 nan 0.000 0.423 91 D N 1.549 121.828 120.400 -0.202 0.000 2.524 91 D HA 0.033 4.662 4.640 -0.019 0.000 0.222 91 D C 1.393 177.571 176.300 -0.204 0.000 1.142 91 D CA -0.163 53.741 54.000 -0.160 0.000 0.973 91 D CB 1.044 41.776 40.800 -0.112 0.000 1.025 91 D HN 0.701 nan 8.370 nan 0.000 0.519 92 T N 0.241 114.657 114.554 -0.230 0.000 2.849 92 T HA -0.181 4.157 4.350 -0.019 0.000 0.270 92 T C 1.751 176.348 174.700 -0.170 0.000 1.066 92 T CA 1.095 63.042 62.100 -0.255 0.000 1.130 92 T CB -0.041 68.687 68.868 -0.235 0.000 0.864 92 T HN 0.234 nan 8.240 nan 0.000 0.481 93 A N 0.820 123.571 122.820 -0.116 0.000 2.066 93 A HA 0.575 4.884 4.320 -0.019 0.000 0.218 93 A C 2.584 180.141 177.584 -0.045 0.000 1.157 93 A CA 1.281 53.276 52.037 -0.069 0.000 0.670 93 A CB -0.863 18.104 19.000 -0.055 0.000 0.804 93 A HN 0.751 nan 8.150 nan 0.000 0.453 94 A N -0.731 122.048 122.820 -0.067 0.000 1.909 94 A HA 0.125 4.434 4.320 -0.019 0.000 0.209 94 A C 2.191 179.758 177.584 -0.028 0.000 1.247 94 A CA 1.755 53.773 52.037 -0.031 0.000 0.660 94 A CB -0.755 18.216 19.000 -0.047 0.000 0.910 94 A HN 0.671 nan 8.150 nan 0.000 0.465 95 T N -3.339 111.105 114.554 -0.184 0.000 3.086 95 T HA 0.469 4.807 4.350 -0.019 0.000 0.250 95 T C 0.794 175.068 174.700 -0.710 0.000 1.074 95 T CA 0.876 62.746 62.100 -0.383 0.000 0.988 95 T CB -0.217 68.500 68.868 -0.252 0.000 0.988 95 T HN 1.942 nan 8.240 nan 0.000 0.530 96 G N 0.992 109.501 108.800 -0.484 0.000 2.697 96 G HA2 0.048 3.997 3.960 -0.019 0.000 0.686 96 G HA3 0.048 3.997 3.960 -0.019 0.000 0.686 96 G C -0.996 173.714 174.900 -0.317 0.000 1.179 96 G CA -1.056 43.836 45.100 -0.346 0.000 0.765 96 G HN 0.267 nan 8.290 nan 0.000 0.649 97 E N 0.254 120.344 120.200 -0.184 0.000 2.371 97 E HA 0.461 4.800 4.350 -0.019 0.000 0.257 97 E C 1.163 177.681 176.600 -0.137 0.000 1.134 97 E CA -0.428 55.862 56.400 -0.182 0.000 0.919 97 E CB 0.768 30.388 29.700 -0.133 0.000 1.025 97 E HN 0.504 nan 8.360 nan 0.000 0.438 98 L N 2.614 123.759 121.223 -0.130 0.000 2.418 98 L HA 0.224 4.553 4.340 -0.019 0.000 0.265 98 L C -1.852 175.014 176.870 -0.006 0.000 1.143 98 L CA -1.850 52.986 54.840 -0.006 0.000 0.809 98 L CB 0.245 42.311 42.059 0.011 0.000 1.124 98 L HN 0.175 nan 8.230 nan 0.000 0.456 99 P HA -0.045 nan 4.420 nan 0.000 0.266 99 P C -0.439 176.817 177.300 -0.072 0.000 1.186 99 P CA -0.144 62.977 63.100 0.034 0.000 0.767 99 P CB 0.312 32.086 31.700 0.124 0.000 0.820 100 V N 3.540 123.365 119.914 -0.149 0.000 2.673 100 V HA -0.053 4.056 4.120 -0.019 0.000 0.303 100 V C 1.089 177.030 176.094 -0.255 0.000 1.046 100 V CA 0.262 62.361 62.300 -0.335 0.000 1.126 100 V CB -0.468 30.990 31.823 -0.607 0.000 0.934 100 V HN 0.317 nan 8.190 nan 0.000 0.487 101 L N 3.259 124.282 121.223 -0.333 0.000 2.350 101 L HA 0.292 4.620 4.340 -0.019 0.000 0.275 101 L C 1.599 178.387 176.870 -0.138 0.000 1.099 101 L CA -0.095 54.640 54.840 -0.176 0.000 0.808 101 L CB 0.916 42.864 42.059 -0.184 0.000 1.149 101 L HN 0.760 nan 8.230 nan 0.000 0.442 102 E N 1.662 121.942 120.200 0.134 0.000 2.130 102 E HA -0.266 4.073 4.350 -0.019 0.000 0.196 102 E C 1.604 178.366 176.600 0.270 0.000 0.998 102 E CA 1.915 58.553 56.400 0.397 0.000 0.806 102 E CB 0.216 30.107 29.700 0.317 0.000 0.738 102 E HN 0.781 nan 8.360 nan 0.000 0.459 103 E N 0.090 120.351 120.200 0.101 0.000 2.204 103 E HA -0.210 4.129 4.350 -0.019 0.000 0.194 103 E C 1.555 178.173 176.600 0.029 0.000 0.989 103 E CA 1.087 57.535 56.400 0.080 0.000 0.824 103 E CB -0.182 29.547 29.700 0.049 0.000 0.756 103 E HN 0.375 nan 8.360 nan 0.000 0.477 104 E N -0.059 120.082 120.200 -0.098 0.000 2.274 104 E HA -0.069 4.270 4.350 -0.019 0.000 0.194 104 E C 1.438 177.962 176.600 -0.127 0.000 0.996 104 E CA 0.520 56.818 56.400 -0.169 0.000 0.840 104 E CB -0.115 29.396 29.700 -0.315 0.000 0.772 104 E HN 0.257 nan 8.360 nan 0.000 0.491 105 F N 2.010 121.986 119.950 0.044 0.000 2.113 105 F HA -0.135 4.380 4.527 -0.019 0.000 0.297 105 F C 2.388 178.225 175.800 0.060 0.000 1.103 105 F CA 1.404 59.444 58.000 0.065 0.000 1.248 105 F CB -0.497 38.572 39.000 0.115 0.000 0.999 105 F HN 0.057 nan 8.300 nan 0.000 0.475 106 E N -0.196 120.155 120.200 0.252 0.000 2.338 106 E HA -0.100 4.239 4.350 -0.019 0.000 0.197 106 E C 2.079 178.734 176.600 0.092 0.000 1.007 106 E CA 1.107 57.602 56.400 0.158 0.000 0.849 106 E CB -0.701 29.084 29.700 0.141 0.000 0.774 106 E HN 0.260 nan 8.360 nan 0.000 0.506 107 V N 1.627 121.580 119.914 0.066 0.000 2.295 107 V HA -0.269 3.840 4.120 -0.019 0.000 0.246 107 V C 2.497 178.585 176.094 -0.010 0.000 1.049 107 V CA 1.576 63.888 62.300 0.019 0.000 1.024 107 V CB -0.296 31.525 31.823 -0.004 0.000 0.648 107 V HN 0.199 nan 8.190 nan 0.000 0.447 108 V N -0.027 119.882 119.914 -0.008 0.000 2.250 108 V HA -0.388 3.720 4.120 -0.019 0.000 0.250 108 V C 2.437 178.461 176.094 -0.117 0.000 1.060 108 V CA 2.655 64.917 62.300 -0.063 0.000 1.030 108 V CB -0.708 31.101 31.823 -0.024 0.000 0.643 108 V HN 0.684 nan 8.190 nan 0.000 0.445 109 E N -0.489 119.681 120.200 -0.050 0.000 2.077 109 E HA -0.275 4.064 4.350 -0.019 0.000 0.193 109 E C 2.309 178.871 176.600 -0.063 0.000 0.989 109 E CA 1.548 57.914 56.400 -0.056 0.000 0.800 109 E CB -0.086 29.632 29.700 0.031 0.000 0.746 109 E HN 0.716 nan 8.360 nan 0.000 0.452 110 Q N 0.255 120.038 119.800 -0.029 0.000 2.030 110 Q HA -0.189 4.139 4.340 -0.019 0.000 0.204 110 Q C 2.489 178.461 176.000 -0.047 0.000 0.986 110 Q CA 1.663 57.456 55.803 -0.017 0.000 0.843 110 Q CB -0.183 28.557 28.738 0.003 0.000 0.904 110 Q HN 0.355 nan 8.270 nan 0.000 0.420 111 L N 0.391 121.568 121.223 -0.077 0.000 2.042 111 L HA -0.225 4.104 4.340 -0.019 0.000 0.210 111 L C 2.375 179.158 176.870 -0.145 0.000 1.076 111 L CA 0.985 55.769 54.840 -0.094 0.000 0.749 111 L CB -0.458 41.538 42.059 -0.104 0.000 0.893 111 L HN 0.278 nan 8.230 nan 0.000 0.432 112 L N -0.376 120.680 121.223 -0.278 0.000 2.131 112 L HA -0.196 4.133 4.340 -0.019 0.000 0.210 112 L C 2.770 179.516 176.870 -0.207 0.000 1.092 112 L CA 1.010 55.539 54.840 -0.518 0.000 0.759 112 L CB -0.722 40.633 42.059 -1.173 0.000 0.903 112 L HN 0.253 nan 8.230 nan 0.000 0.435 113 A N -0.301 122.492 122.820 -0.045 0.000 2.125 113 A HA -0.153 4.156 4.320 -0.019 0.000 0.219 113 A C 2.051 179.697 177.584 0.103 0.000 1.156 113 A CA 1.931 54.036 52.037 0.114 0.000 0.671 113 A CB -0.665 18.384 19.000 0.081 0.000 0.794 113 A HN 0.524 nan 8.150 nan 0.000 0.459 114 T N -3.493 111.092 114.554 0.052 0.000 3.084 114 T HA 0.263 4.602 4.350 -0.019 0.000 0.270 114 T C -0.125 174.605 174.700 0.050 0.000 1.008 114 T CA 0.142 62.270 62.100 0.048 0.000 0.900 114 T CB -0.279 68.603 68.868 0.023 0.000 1.084 114 T HN 0.297 nan 8.240 nan 0.000 0.538 115 D N 2.031 122.474 120.400 0.071 0.000 2.277 115 D HA 0.188 4.817 4.640 -0.019 0.000 0.249 115 D C 1.396 177.770 176.300 0.125 0.000 1.134 115 D CA -0.440 53.606 54.000 0.076 0.000 0.863 115 D CB 1.229 42.063 40.800 0.056 0.000 1.143 115 D HN 0.473 nan 8.370 nan 0.000 0.458 116 E N 3.150 123.396 120.200 0.076 0.000 2.150 116 E HA -0.200 4.139 4.350 -0.019 0.000 0.193 116 E C 1.554 178.196 176.600 0.071 0.000 0.985 116 E CA 0.679 57.117 56.400 0.064 0.000 0.814 116 E CB 0.114 29.835 29.700 0.034 0.000 0.752 116 E HN 0.387 nan 8.360 nan 0.000 0.466 117 R N -0.024 120.526 120.500 0.084 0.000 2.075 117 R HA -0.063 4.266 4.340 -0.019 0.000 0.232 117 R C 2.098 178.479 176.300 0.135 0.000 1.126 117 R CA 1.661 57.810 56.100 0.080 0.000 0.963 117 R CB -0.413 29.930 30.300 0.071 0.000 0.858 117 R HN 0.435 nan 8.270 nan 0.000 0.435 118 W N 1.399 122.677 121.300 -0.037 0.000 2.380 118 W HA -0.169 4.479 4.660 -0.019 0.000 0.317 118 W C 1.527 178.031 176.519 -0.025 0.000 1.196 118 W CA 1.216 58.541 57.345 -0.033 0.000 1.307 118 W CB -0.239 29.204 29.460 -0.028 0.000 1.157 118 W HN 0.069 nan 8.180 nan 0.000 0.483 119 L N 0.810 122.121 121.223 0.147 0.000 2.129 119 L HA -0.274 4.054 4.340 -0.019 0.000 0.212 119 L C 2.603 179.439 176.870 -0.057 0.000 1.087 119 L CA 1.590 56.441 54.840 0.019 0.000 0.757 119 L CB -0.849 41.251 42.059 0.068 0.000 0.896 119 L HN -0.014 nan 8.230 nan 0.000 0.434 120 K N 0.084 120.461 120.400 -0.037 0.000 2.155 120 K HA -0.097 4.212 4.320 -0.019 0.000 0.203 120 K C 2.159 178.698 176.600 -0.102 0.000 1.052 120 K CA 0.976 57.230 56.287 -0.054 0.000 0.948 120 K CB 0.050 32.534 32.500 -0.027 0.000 0.728 120 K HN 0.264 nan 8.250 nan 0.000 0.448 121 A N 1.330 124.057 122.820 -0.155 0.000 1.898 121 A HA -0.095 4.214 4.320 -0.019 0.000 0.216 121 A C 2.039 179.463 177.584 -0.267 0.000 1.181 121 A CA 1.000 52.908 52.037 -0.215 0.000 0.620 121 A CB -0.459 18.363 19.000 -0.296 0.000 0.819 121 A HN 0.248 nan 8.150 nan 0.000 0.442 122 L N -0.933 120.084 121.223 -0.344 0.000 2.056 122 L HA -0.162 4.167 4.340 -0.019 0.000 0.207 122 L C 3.095 179.864 176.870 -0.168 0.000 1.078 122 L CA 1.101 55.761 54.840 -0.300 0.000 0.749 122 L CB -0.673 41.190 42.059 -0.326 0.000 0.901 122 L HN 0.454 nan 8.230 nan 0.000 0.433 123 A N 0.216 122.959 122.820 -0.127 0.000 1.933 123 A HA -0.126 4.182 4.320 -0.019 0.000 0.218 123 A C 2.490 180.028 177.584 -0.075 0.000 1.175 123 A CA 1.541 53.530 52.037 -0.081 0.000 0.628 123 A CB -0.570 18.395 19.000 -0.058 0.000 0.814 123 A HN 0.393 nan 8.150 nan 0.000 0.444 124 A N -0.451 122.318 122.820 -0.085 0.000 2.070 124 A HA -0.099 4.210 4.320 -0.019 0.000 0.220 124 A C 2.030 179.571 177.584 -0.072 0.000 1.159 124 A CA 1.374 53.368 52.037 -0.072 0.000 0.656 124 A CB -0.298 18.657 19.000 -0.074 0.000 0.800 124 A HN 0.552 nan 8.150 nan 0.000 0.453 125 R N -0.863 119.585 120.500 -0.088 0.000 2.432 125 R HA 0.127 4.455 4.340 -0.019 0.000 0.260 125 R C -0.317 175.941 176.300 -0.069 0.000 0.935 125 R CA 0.064 56.118 56.100 -0.077 0.000 1.080 125 R CB 0.231 30.473 30.300 -0.096 0.000 1.155 125 R HN 0.425 nan 8.270 nan 0.000 0.531 126 N N 0.974 119.635 118.700 -0.066 0.000 2.735 126 N HA -0.186 4.543 4.740 -0.019 0.000 0.248 126 N C -0.926 174.551 175.510 -0.056 0.000 1.083 126 N CA 0.983 54.001 53.050 -0.052 0.000 0.703 126 N CB -1.398 37.066 38.487 -0.039 0.000 1.005 126 N HN 0.292 nan 8.380 nan 0.000 0.550 127 L N 0.134 121.312 121.223 -0.075 0.000 2.309 127 L HA 0.342 4.671 4.340 -0.019 0.000 0.282 127 L C 0.656 177.491 176.870 -0.058 0.000 1.036 127 L CA -0.831 53.965 54.840 -0.074 0.000 0.806 127 L CB 1.332 43.328 42.059 -0.104 0.000 1.220 127 L HN -0.106 nan 8.230 nan 0.000 0.429 128 D N 1.957 122.335 120.400 -0.035 0.000 2.325 128 D HA 0.031 4.659 4.640 -0.019 0.000 0.251 128 D C 0.847 177.145 176.300 -0.002 0.000 1.196 128 D CA 0.030 54.021 54.000 -0.015 0.000 0.866 128 D CB 1.800 42.599 40.800 -0.002 0.000 1.101 128 D HN 0.262 nan 8.370 nan 0.000 0.476 129 V N 3.981 123.902 119.914 0.011 0.000 2.439 129 V HA -0.301 3.807 4.120 -0.019 0.000 0.253 129 V C 2.154 178.291 176.094 0.071 0.000 1.074 129 V CA 2.840 65.173 62.300 0.056 0.000 1.076 129 V CB -0.468 31.412 31.823 0.094 0.000 0.664 129 V HN 0.762 nan 8.190 nan 0.000 0.461 130 S N -1.265 114.464 115.700 0.049 0.000 2.507 130 S HA -0.117 4.342 4.470 -0.019 0.000 0.235 130 S C 1.599 176.223 174.600 0.039 0.000 0.988 130 S CA 1.127 59.356 58.200 0.047 0.000 0.944 130 S CB -0.311 62.912 63.200 0.037 0.000 0.762 130 S HN 0.747 nan 8.310 nan 0.000 0.526 131 K N 0.558 120.976 120.400 0.029 0.000 2.374 131 K HA 0.286 4.595 4.320 -0.019 0.000 0.202 131 K C -0.713 175.896 176.600 0.014 0.000 1.040 131 K CA -0.032 56.263 56.287 0.013 0.000 1.085 131 K CB 1.099 33.597 32.500 -0.004 0.000 0.873 131 K HN 0.212 nan 8.250 nan 0.000 0.539 132 V N 3.869 123.811 119.914 0.046 0.000 2.334 132 V HA 0.184 4.293 4.120 -0.019 0.000 0.267 132 V C 0.245 176.410 176.094 0.118 0.000 1.040 132 V CA -0.697 61.647 62.300 0.073 0.000 0.866 132 V CB 0.454 32.328 31.823 0.086 0.000 1.019 132 V HN 0.157 nan 8.190 nan 0.000 0.468 133 R N 3.207 123.758 120.500 0.085 0.000 2.582 133 R HA 0.567 4.896 4.340 -0.019 0.000 0.271 133 R C -0.623 175.775 176.300 0.164 0.000 1.078 133 R CA -0.374 55.774 56.100 0.080 0.000 1.127 133 R CB 1.585 31.872 30.300 -0.022 0.000 1.038 133 R HN 0.430 nan 8.270 nan 0.000 0.500 134 V N 1.418 121.429 119.914 0.163 0.000 2.531 134 V HA 0.412 4.521 4.120 -0.019 0.000 0.301 134 V C -0.216 176.018 176.094 0.234 0.000 1.034 134 V CA -1.082 61.350 62.300 0.220 0.000 0.865 134 V CB 1.862 33.769 31.823 0.139 0.000 0.995 134 V HN 0.853 nan 8.190 nan 0.000 0.424 135 A N 7.532 130.570 122.820 0.364 0.000 2.316 135 A HA 0.695 5.003 4.320 -0.019 0.000 0.311 135 A C -2.389 175.424 177.584 0.383 0.000 1.339 135 A CA -1.415 50.875 52.037 0.422 0.000 0.960 135 A CB 0.205 19.627 19.000 0.703 0.000 1.152 135 A HN 0.555 nan 8.150 nan 0.000 0.547 136 P HA 0.389 nan 4.420 nan 0.000 0.288 136 P C -0.772 176.775 177.300 0.413 0.000 1.363 136 P CA 0.099 63.396 63.100 0.329 0.000 0.837 136 P CB 0.694 32.616 31.700 0.370 0.000 0.981 137 L N 2.098 123.526 121.223 0.342 0.000 2.334 137 L HA 0.478 4.806 4.340 -0.019 0.000 0.270 137 L C 1.135 178.153 176.870 0.247 0.000 1.018 137 L CA -1.043 54.003 54.840 0.343 0.000 0.811 137 L CB 1.336 43.594 42.059 0.331 0.000 1.271 137 L HN 0.293 nan 8.230 nan 0.000 0.443 138 S N 0.085 115.926 115.700 0.235 0.000 2.573 138 S HA 0.202 4.661 4.470 -0.019 0.000 0.277 138 S C 0.755 175.459 174.600 0.174 0.000 1.346 138 S CA -0.074 58.203 58.200 0.129 0.000 1.034 138 S CB 1.330 64.630 63.200 0.166 0.000 0.879 138 S HN 0.733 nan 8.310 nan 0.000 0.528 139 A N 2.753 125.608 122.820 0.059 0.000 1.943 139 A HA 0.577 4.886 4.320 -0.019 0.000 0.213 139 A C 1.509 179.229 177.584 0.226 0.000 1.181 139 A CA 0.628 52.679 52.037 0.023 0.000 0.653 139 A CB -1.456 17.467 19.000 -0.129 0.000 0.833 139 A HN 2.343 nan 8.150 nan 0.000 0.451 140 G N -1.806 107.077 108.800 0.139 0.000 2.796 140 G HA2 -0.035 3.914 3.960 -0.019 0.000 0.226 140 G HA3 -0.035 3.914 3.960 -0.019 0.000 0.226 140 G C -0.441 174.362 174.900 -0.161 0.000 1.381 140 G CA -0.309 44.815 45.100 0.040 0.000 0.867 140 G HN 1.047 nan 8.290 nan 0.000 0.552 141 V N 1.296 120.905 119.914 -0.507 0.000 2.378 141 V HA 0.748 4.856 4.120 -0.019 0.000 0.288 141 V C 0.003 175.586 176.094 -0.852 0.000 1.016 141 V CA -0.238 61.786 62.300 -0.460 0.000 0.840 141 V CB 0.853 32.482 31.823 -0.323 0.000 0.994 141 V HN 0.655 nan 8.190 nan 0.000 0.431 142 F N 1.765 121.688 119.950 -0.046 0.000 3.208 142 F HA 0.436 4.951 4.527 -0.019 0.000 0.286 142 F C 1.467 177.125 175.800 -0.237 0.000 1.532 142 F CA -0.659 57.258 58.000 -0.138 0.000 1.004 142 F CB 0.350 39.255 39.000 -0.158 0.000 1.777 142 F HN 0.439 nan 8.300 nan 0.000 0.384 143 E N 0.657 120.709 120.200 -0.247 0.000 2.403 143 E HA -0.006 4.333 4.350 -0.019 0.000 0.188 143 E C -1.222 175.223 176.600 -0.260 0.000 1.056 143 E CA 0.151 56.397 56.400 -0.258 0.000 0.892 143 E CB -0.716 28.857 29.700 -0.212 0.000 1.049 143 E HN 0.484 nan 8.360 nan 0.000 0.465 144 Y N 0.898 121.252 120.300 0.091 0.000 2.650 144 Y HA 0.450 4.989 4.550 -0.019 0.000 0.343 144 Y C 1.499 177.417 175.900 0.030 0.000 1.078 144 Y CA -0.377 57.763 58.100 0.066 0.000 1.356 144 Y CB 0.944 39.444 38.460 0.067 0.000 1.204 144 Y HN 0.101 nan 8.280 nan 0.000 0.508 145 A N 2.369 125.274 122.820 0.142 0.000 1.978 145 A HA -0.189 4.120 4.320 -0.019 0.000 0.220 145 A C 2.078 179.702 177.584 0.067 0.000 1.170 145 A CA 1.741 53.823 52.037 0.075 0.000 0.636 145 A CB -0.250 18.781 19.000 0.052 0.000 0.810 145 A HN 0.712 nan 8.150 nan 0.000 0.448 146 E N 0.590 120.842 120.200 0.086 0.000 2.511 146 E HA -0.111 4.228 4.350 -0.019 0.000 0.196 146 E C 0.923 177.545 176.600 0.038 0.000 1.066 146 E CA 0.959 57.389 56.400 0.051 0.000 0.871 146 E CB -0.321 29.407 29.700 0.046 0.000 0.863 146 E HN 0.761 nan 8.360 nan 0.000 0.520 147 E N 0.679 120.913 120.200 0.056 0.000 2.415 147 E HA 0.090 4.429 4.350 -0.019 0.000 0.197 147 E C 0.101 176.701 176.600 -0.000 0.000 1.007 147 E CA -0.242 56.173 56.400 0.025 0.000 0.890 147 E CB 0.224 29.952 29.700 0.046 0.000 0.891 147 E HN 0.166 nan 8.360 nan 0.000 0.496 148 R N 0.670 121.173 120.500 0.004 0.000 2.483 148 R HA 0.105 4.434 4.340 -0.019 0.000 0.329 148 R C 0.822 177.106 176.300 -0.027 0.000 0.961 148 R CA 0.771 56.861 56.100 -0.016 0.000 1.041 148 R CB 0.065 30.358 30.300 -0.013 0.000 0.930 148 R HN 0.302 nan 8.270 nan 0.000 0.413 149 G N 2.585 111.359 108.800 -0.042 0.000 2.232 149 G HA2 -0.274 3.675 3.960 -0.019 0.000 0.226 149 G HA3 -0.274 3.675 3.960 -0.019 0.000 0.226 149 G C 0.219 175.089 174.900 -0.050 0.000 0.996 149 G CA -0.411 44.658 45.100 -0.051 0.000 0.626 149 G HN 0.512 nan 8.290 nan 0.000 0.509 150 R N -0.013 120.461 120.500 -0.044 0.000 2.573 150 R HA 0.708 5.037 4.340 -0.019 0.000 0.272 150 R C 0.099 176.363 176.300 -0.061 0.000 1.009 150 R CA -0.775 55.298 56.100 -0.044 0.000 1.059 150 R CB 0.831 31.109 30.300 -0.037 0.000 1.112 150 R HN 0.126 nan 8.270 nan 0.000 0.517 151 R N 1.953 122.413 120.500 -0.066 0.000 2.233 151 R HA 0.314 4.643 4.340 -0.019 0.000 0.334 151 R C -0.385 175.851 176.300 -0.106 0.000 1.037 151 R CA -0.321 55.720 56.100 -0.099 0.000 0.920 151 R CB 0.460 30.688 30.300 -0.119 0.000 1.137 151 R HN 0.285 nan 8.270 nan 0.000 0.492 152 I N 3.899 124.402 120.570 -0.112 0.000 2.577 152 I HA 0.443 4.602 4.170 -0.019 0.000 0.305 152 I C 0.143 176.174 176.117 -0.143 0.000 0.986 152 I CA -0.811 60.414 61.300 -0.124 0.000 1.189 152 I CB 1.491 39.409 38.000 -0.136 0.000 1.355 152 I HN 0.484 nan 8.210 nan 0.000 0.476 153 L N 4.708 125.845 121.223 -0.144 0.000 2.455 153 L HA 0.486 4.815 4.340 -0.019 0.000 0.264 153 L C -0.445 176.329 176.870 -0.160 0.000 0.968 153 L CA -0.774 53.994 54.840 -0.120 0.000 0.827 153 L CB 2.616 44.633 42.059 -0.071 0.000 1.317 153 L HN 0.536 nan 8.230 nan 0.000 0.407 154 R N 1.378 121.737 120.500 -0.234 0.000 2.407 154 R HA 0.659 4.988 4.340 -0.019 0.000 0.303 154 R C -0.134 176.125 176.300 -0.067 0.000 0.981 154 R CA -0.716 55.179 56.100 -0.342 0.000 0.905 154 R CB 1.951 31.554 30.300 -1.163 0.000 1.099 154 R HN 0.719 nan 8.270 nan 0.000 0.459 155 G N 2.856 111.664 108.800 0.012 0.000 2.461 155 G HA2 0.590 4.539 3.960 -0.019 0.000 0.323 155 G HA3 0.590 4.539 3.960 -0.019 0.000 0.323 155 G C -0.803 174.256 174.900 0.265 0.000 1.229 155 G CA -0.638 44.538 45.100 0.126 0.000 0.941 155 G HN 0.303 nan 8.290 nan 0.000 0.477 156 L N 1.302 122.750 121.223 0.376 0.000 2.346 156 L HA 0.733 5.062 4.340 -0.019 0.000 0.274 156 L C 0.484 177.487 176.870 0.222 0.000 1.007 156 L CA -1.001 54.047 54.840 0.346 0.000 0.818 156 L CB 2.250 44.598 42.059 0.481 0.000 1.284 156 L HN 0.630 nan 8.230 nan 0.000 0.424 157 A N 2.526 125.355 122.820 0.014 0.000 2.303 157 A HA 0.865 5.174 4.320 -0.019 0.000 0.317 157 A C -1.239 175.991 177.584 -0.590 0.000 1.149 157 A CA -0.202 51.798 52.037 -0.063 0.000 0.822 157 A CB 0.581 19.618 19.000 0.062 0.000 1.131 157 A HN 0.491 nan 8.150 nan 0.000 0.493 158 F N 0.661 120.596 119.950 -0.025 0.000 2.574 158 F HA 0.409 4.925 4.527 -0.019 0.000 0.313 158 F C -0.151 175.602 175.800 -0.078 0.000 1.130 158 F CA -0.646 57.295 58.000 -0.098 0.000 0.936 158 F CB 2.224 41.054 39.000 -0.284 0.000 1.219 158 F HN 0.311 nan 8.300 nan 0.000 0.445 159 V N 2.973 122.951 119.914 0.106 0.000 2.488 159 V HA 0.235 4.344 4.120 -0.019 0.000 0.277 159 V C -0.156 175.941 176.094 0.005 0.000 1.046 159 V CA -0.397 61.911 62.300 0.014 0.000 0.986 159 V CB 1.325 33.101 31.823 -0.078 0.000 0.989 159 V HN 0.772 nan 8.190 nan 0.000 0.475 160 Q N 3.191 122.960 119.800 -0.051 0.000 2.571 160 Q HA 0.193 4.522 4.340 -0.019 0.000 0.243 160 Q C 0.279 176.198 176.000 -0.135 0.000 1.055 160 Q CA -0.561 55.177 55.803 -0.109 0.000 0.815 160 Q CB 0.773 29.444 28.738 -0.113 0.000 1.151 160 Q HN 0.786 nan 8.270 nan 0.000 0.519 161 D N 2.745 123.033 120.400 -0.186 0.000 2.228 161 D HA -0.111 4.518 4.640 -0.019 0.000 0.203 161 D C 0.224 176.588 176.300 0.106 0.000 0.988 161 D CA 1.445 55.415 54.000 -0.050 0.000 0.864 161 D CB 0.036 40.878 40.800 0.071 0.000 0.928 161 D HN 0.451 nan 8.370 nan 0.000 0.469 162 F N -5.051 114.897 119.950 -0.003 0.000 2.773 162 F HA 0.359 4.875 4.527 -0.019 0.000 0.314 162 F C -2.505 173.287 175.800 -0.013 0.000 1.160 162 F CA -1.996 55.995 58.000 -0.015 0.000 0.920 162 F CB 0.603 39.583 39.000 -0.033 0.000 1.323 162 F HN -0.426 nan 8.300 nan 0.000 0.457 163 P HA -0.186 nan 4.420 nan 0.000 0.217 163 P C 0.368 177.701 177.300 0.055 0.000 1.162 163 P CA 2.451 65.613 63.100 0.104 0.000 0.901 163 P CB 0.119 31.893 31.700 0.123 0.000 0.793 164 E N -1.148 119.147 120.200 0.158 0.000 2.403 164 E HA 0.047 4.386 4.350 -0.019 0.000 0.188 164 E C -0.118 176.428 176.600 -0.090 0.000 1.056 164 E CA -0.177 56.266 56.400 0.071 0.000 0.892 164 E CB -0.304 29.478 29.700 0.137 0.000 1.049 164 E HN 0.311 nan 8.360 nan 0.000 0.465 165 D N 0.737 120.880 120.400 -0.429 0.000 2.256 165 D HA 0.016 4.645 4.640 -0.019 0.000 0.250 165 D C -0.601 175.517 176.300 -0.302 0.000 1.093 165 D CA -0.095 53.496 54.000 -0.683 0.000 0.882 165 D CB 1.195 41.210 40.800 -1.309 0.000 1.185 165 D HN -0.167 nan 8.370 nan 0.000 0.437 166 S N 2.635 118.221 115.700 -0.190 0.000 2.400 166 S HA 0.411 4.870 4.470 -0.019 0.000 0.295 166 S C 0.997 175.560 174.600 -0.062 0.000 1.113 166 S CA -0.321 57.832 58.200 -0.077 0.000 1.064 166 S CB 0.411 63.602 63.200 -0.015 0.000 0.990 166 S HN 0.517 nan 8.310 nan 0.000 0.502 167 A N 4.892 127.568 122.820 -0.240 0.000 2.172 167 A HA 0.043 4.352 4.320 -0.019 0.000 0.216 167 A C 1.344 178.825 177.584 -0.172 0.000 1.154 167 A CA 0.460 52.396 52.037 -0.168 0.000 0.701 167 A CB -0.633 18.201 19.000 -0.277 0.000 0.789 167 A HN 0.998 nan 8.150 nan 0.000 0.465 168 W N -0.176 121.069 121.300 -0.092 0.000 2.392 168 W HA -0.022 4.627 4.660 -0.018 0.000 0.279 168 W C 2.367 178.956 176.519 0.117 0.000 1.225 168 W CA 0.815 58.031 57.345 -0.215 0.000 1.233 168 W CB -0.098 29.249 29.460 -0.188 0.000 1.122 168 W HN 0.358 nan 8.180 nan 0.000 0.561 169 A N -0.705 122.321 122.820 0.343 0.000 2.168 169 A HA -0.065 4.244 4.320 -0.019 0.000 0.215 169 A C 0.567 177.985 177.584 -0.277 0.000 1.152 169 A CA 0.811 52.915 52.037 0.112 0.000 0.716 169 A CB -0.636 18.392 19.000 0.047 0.000 0.794 169 A HN 0.357 nan 8.150 nan 0.000 0.465 170 H N -0.167 119.027 119.070 0.206 0.000 2.386 170 H HA 0.230 4.775 4.556 -0.019 0.000 0.232 170 H C -2.901 172.476 175.328 0.082 0.000 1.416 170 H CA -2.014 54.097 56.048 0.105 0.000 1.285 170 H CB -0.120 29.677 29.762 0.058 0.000 1.625 170 H HN 0.360 nan 8.280 nan 0.000 0.521 171 P HA 0.003 nan 4.420 nan 0.000 0.269 171 P C 0.305 177.464 177.300 -0.236 0.000 1.209 171 P CA -0.232 62.720 63.100 -0.247 0.000 0.776 171 P CB 1.947 33.554 31.700 -0.155 0.000 0.876 172 V N 3.259 122.952 119.914 -0.367 0.000 2.239 172 V HA 0.150 4.259 4.120 -0.019 0.000 0.267 172 V C 0.587 176.543 176.094 -0.230 0.000 1.056 172 V CA -0.346 61.820 62.300 -0.225 0.000 0.830 172 V CB 0.302 31.992 31.823 -0.222 0.000 1.090 172 V HN 0.528 nan 8.190 nan 0.000 0.459 173 D N 2.882 123.141 120.400 -0.234 0.000 2.358 173 D HA 0.424 5.053 4.640 -0.019 0.000 0.244 173 D C 1.274 177.460 176.300 -0.190 0.000 1.163 173 D CA 1.499 55.274 54.000 -0.376 0.000 0.945 173 D CB 1.744 42.032 40.800 -0.853 0.000 1.152 173 D HN 0.744 nan 8.370 nan 0.000 0.451 174 G N 0.404 109.102 108.800 -0.169 0.000 2.157 174 G HA2 -0.204 3.745 3.960 -0.019 0.000 0.248 174 G HA3 -0.204 3.745 3.960 -0.019 0.000 0.248 174 G C -0.169 174.765 174.900 0.057 0.000 0.979 174 G CA 0.478 45.644 45.100 0.110 0.000 0.650 174 G HN 0.495 nan 8.290 nan 0.000 0.529 175 L N -0.147 121.081 121.223 0.009 0.000 2.422 175 L HA 0.938 5.267 4.340 -0.019 0.000 0.264 175 L C -0.795 176.151 176.870 0.127 0.000 0.984 175 L CA -1.024 53.829 54.840 0.021 0.000 0.819 175 L CB 2.430 44.420 42.059 -0.115 0.000 1.330 175 L HN 0.680 nan 8.230 nan 0.000 0.410 176 V N 3.410 123.436 119.914 0.186 0.000 3.000 176 V HA 0.936 5.045 4.120 -0.019 0.000 0.300 176 V C -1.552 174.607 176.094 0.110 0.000 1.251 176 V CA 0.270 62.712 62.300 0.236 0.000 0.972 176 V CB 2.100 34.092 31.823 0.282 0.000 1.065 176 V HN 1.192 nan 8.190 nan 0.000 0.431 177 A N 5.250 128.111 122.820 0.068 0.000 2.371 177 A HA 0.911 5.220 4.320 -0.019 0.000 0.311 177 A C -1.825 175.727 177.584 -0.052 0.000 1.068 177 A CA -0.445 51.514 52.037 -0.131 0.000 0.744 177 A CB 1.396 20.253 19.000 -0.237 0.000 1.239 177 A HN 0.824 nan 8.150 nan 0.000 0.435 178 Y N 1.011 121.160 120.300 -0.252 0.000 2.320 178 Y HA 0.553 5.092 4.550 -0.019 0.000 0.334 178 Y C 0.066 175.830 175.900 -0.227 0.000 1.055 178 Y CA -1.553 56.372 58.100 -0.291 0.000 1.143 178 Y CB 1.353 39.601 38.460 -0.354 0.000 1.193 178 Y HN 0.330 nan 8.280 nan 0.000 0.477 179 V N 3.446 123.331 119.914 -0.049 0.000 2.531 179 V HA 0.209 4.317 4.120 -0.019 0.000 0.301 179 V C -0.545 175.501 176.094 -0.080 0.000 1.034 179 V CA -1.105 61.145 62.300 -0.083 0.000 0.865 179 V CB 2.074 33.830 31.823 -0.112 0.000 0.995 179 V HN 0.651 nan 8.190 nan 0.000 0.424 180 D N 3.514 123.873 120.400 -0.068 0.000 2.339 180 D HA 0.157 4.786 4.640 -0.019 0.000 0.241 180 D C 0.965 177.228 176.300 -0.061 0.000 1.183 180 D CA -0.213 53.749 54.000 -0.062 0.000 0.859 180 D CB 1.989 42.761 40.800 -0.047 0.000 1.067 180 D HN 0.430 nan 8.370 nan 0.000 0.484 181 V N 2.259 122.129 119.914 -0.072 0.000 3.461 181 V HA -0.038 4.071 4.120 -0.019 0.000 0.267 181 V C 1.575 177.648 176.094 -0.034 0.000 1.186 181 V CA 0.437 62.697 62.300 -0.067 0.000 1.154 181 V CB -0.230 31.529 31.823 -0.108 0.000 0.802 181 V HN 0.393 nan 8.190 nan 0.000 0.474 182 V N 1.440 121.343 119.914 -0.018 0.000 2.492 182 V HA -0.051 4.057 4.120 -0.019 0.000 0.241 182 V C 2.807 178.900 176.094 -0.002 0.000 1.041 182 V CA 1.806 64.116 62.300 0.015 0.000 1.057 182 V CB -0.135 31.711 31.823 0.038 0.000 0.711 182 V HN 0.708 nan 8.190 nan 0.000 0.468 183 S N -0.810 114.881 115.700 -0.014 0.000 2.522 183 S HA -0.039 4.420 4.470 -0.019 0.000 0.227 183 S C 0.941 175.528 174.600 -0.020 0.000 0.986 183 S CA 0.295 58.485 58.200 -0.017 0.000 0.929 183 S CB -0.417 62.771 63.200 -0.020 0.000 0.769 183 S HN 0.571 nan 8.310 nan 0.000 0.529 184 K N 1.058 121.443 120.400 -0.026 0.000 3.150 184 K HA -0.137 4.172 4.320 -0.019 0.000 0.267 184 K C -1.092 175.486 176.600 -0.038 0.000 1.028 184 K CA 0.829 57.097 56.287 -0.032 0.000 0.753 184 K CB -1.703 30.785 32.500 -0.021 0.000 1.288 184 K HN 0.696 nan 8.250 nan 0.000 0.473 185 E N 0.246 120.420 120.200 -0.043 0.000 2.199 185 E HA 0.294 4.633 4.350 -0.019 0.000 0.269 185 E C -0.362 176.201 176.600 -0.062 0.000 0.899 185 E CA -0.932 55.440 56.400 -0.046 0.000 0.772 185 E CB 2.240 31.918 29.700 -0.036 0.000 1.155 185 E HN -0.060 nan 8.360 nan 0.000 0.408 186 V N 3.481 123.352 119.914 -0.071 0.000 2.370 186 V HA -0.032 4.077 4.120 -0.019 0.000 0.257 186 V C 1.504 177.551 176.094 -0.077 0.000 1.064 186 V CA 0.379 62.622 62.300 -0.094 0.000 0.975 186 V CB 0.232 31.989 31.823 -0.110 0.000 1.067 186 V HN 0.915 nan 8.190 nan 0.000 0.485 187 T N 2.711 117.222 114.554 -0.071 0.000 2.904 187 T HA 0.079 4.418 4.350 -0.019 0.000 0.267 187 T C 0.833 175.470 174.700 -0.104 0.000 1.059 187 T CA 0.672 62.735 62.100 -0.062 0.000 1.137 187 T CB 0.284 69.132 68.868 -0.033 0.000 0.879 187 T HN 0.530 nan 8.240 nan 0.000 0.467 188 R N -0.725 119.670 120.500 -0.176 0.000 2.663 188 R HA 0.616 4.944 4.340 -0.019 0.000 0.267 188 R C -2.217 173.899 176.300 -0.307 0.000 1.038 188 R CA -0.705 55.221 56.100 -0.291 0.000 0.886 188 R CB 2.687 32.661 30.300 -0.544 0.000 1.249 188 R HN 0.056 nan 8.270 nan 0.000 0.463 189 V N 3.813 123.599 119.914 -0.215 0.000 2.488 189 V HA 0.442 4.551 4.120 -0.019 0.000 0.293 189 V C -0.404 175.625 176.094 -0.109 0.000 1.027 189 V CA -0.551 61.699 62.300 -0.083 0.000 0.862 189 V CB 1.763 33.632 31.823 0.076 0.000 1.008 189 V HN 0.552 nan 8.190 nan 0.000 0.428 190 I N 4.092 124.578 120.570 -0.139 0.000 2.321 190 I HA 0.467 4.626 4.170 -0.019 0.000 0.291 190 I C -0.694 175.415 176.117 -0.013 0.000 0.998 190 I CA -0.144 61.099 61.300 -0.096 0.000 1.227 190 I CB 1.644 39.561 38.000 -0.138 0.000 1.368 190 I HN 0.501 nan 8.210 nan 0.000 0.466 191 D N 4.720 125.116 120.400 -0.007 0.000 2.469 191 D HA 0.174 4.803 4.640 -0.019 0.000 0.251 191 D C 0.871 177.185 176.300 0.023 0.000 1.173 191 D CA -0.363 53.639 54.000 0.004 0.000 0.882 191 D CB 1.610 42.397 40.800 -0.022 0.000 1.129 191 D HN 0.636 nan 8.370 nan 0.000 0.549 192 T N 0.415 115.006 114.554 0.061 0.000 3.014 192 T HA 0.419 4.758 4.350 -0.019 0.000 0.263 192 T C 1.047 175.787 174.700 0.066 0.000 1.078 192 T CA 0.443 62.590 62.100 0.079 0.000 1.135 192 T CB 0.369 69.313 68.868 0.127 0.000 0.895 192 T HN 0.544 nan 8.240 nan 0.000 0.480 193 G N 0.098 108.943 108.800 0.075 0.000 2.347 193 G HA2 0.354 4.303 3.960 -0.019 0.000 0.303 193 G HA3 0.354 4.303 3.960 -0.019 0.000 0.303 193 G C -1.511 173.404 174.900 0.025 0.000 1.481 193 G CA -0.440 44.658 45.100 -0.004 0.000 0.914 193 G HN 0.399 nan 8.290 nan 0.000 0.638 194 V N 0.370 120.244 119.914 -0.067 0.000 2.614 194 V HA 0.758 4.867 4.120 -0.019 0.000 0.291 194 V C -0.669 175.351 176.094 -0.124 0.000 1.049 194 V CA -0.235 62.045 62.300 -0.032 0.000 1.038 194 V CB 0.530 32.316 31.823 -0.061 0.000 0.980 194 V HN 0.591 nan 8.190 nan 0.000 0.481 195 F N 5.712 125.625 119.950 -0.062 0.000 2.551 195 F HA 0.615 5.131 4.527 -0.019 0.000 0.316 195 F C -1.944 173.827 175.800 -0.048 0.000 1.089 195 F CA -2.130 55.839 58.000 -0.052 0.000 0.915 195 F CB 1.873 40.841 39.000 -0.053 0.000 1.186 195 F HN 0.409 nan 8.300 nan 0.000 0.456 196 P HA 0.122 nan 4.420 nan 0.000 0.268 196 P C -0.904 176.450 177.300 0.091 0.000 1.205 196 P CA -0.164 62.980 63.100 0.072 0.000 0.771 196 P CB 0.618 32.350 31.700 0.054 0.000 0.858 197 V N 6.430 126.375 119.914 0.052 0.000 2.385 197 V HA 0.181 4.290 4.120 -0.019 0.000 0.269 197 V C -1.885 174.256 176.094 0.079 0.000 1.043 197 V CA -1.614 60.716 62.300 0.050 0.000 0.906 197 V CB 0.634 32.467 31.823 0.017 0.000 0.995 197 V HN 0.581 nan 8.190 nan 0.000 0.467 198 P HA -0.014 nan 4.420 nan 0.000 0.259 198 P C 0.395 177.814 177.300 0.198 0.000 1.163 198 P CA 0.421 63.571 63.100 0.084 0.000 0.760 198 P CB 0.706 32.410 31.700 0.008 0.000 0.762 199 A N 3.355 126.245 122.820 0.116 0.000 2.095 199 A HA -0.014 4.295 4.320 -0.019 0.000 0.212 199 A C 0.985 178.590 177.584 0.035 0.000 1.162 199 A CA 0.332 52.425 52.037 0.093 0.000 0.753 199 A CB -0.384 18.627 19.000 0.018 0.000 0.840 199 A HN 0.568 nan 8.150 nan 0.000 0.468 200 E N 1.124 121.337 120.200 0.022 0.000 2.344 200 E HA 0.094 4.433 4.350 -0.019 0.000 0.270 200 E C -0.531 176.067 176.600 -0.003 0.000 1.021 200 E CA -0.373 56.028 56.400 0.001 0.000 0.887 200 E CB 0.264 30.009 29.700 0.076 0.000 0.997 200 E HN 0.553 nan 8.360 nan 0.000 0.429 201 H N 1.834 121.043 119.070 0.231 0.000 2.603 201 H HA 0.243 4.787 4.556 -0.019 0.000 0.370 201 H C 0.416 175.842 175.328 0.164 0.000 1.225 201 H CA 0.087 56.247 56.048 0.187 0.000 1.410 201 H CB 1.448 31.349 29.762 0.231 0.000 1.495 201 H HN 0.691 nan 8.280 nan 0.000 0.602 202 G N 1.016 109.944 108.800 0.213 0.000 4.904 202 G HA2 0.062 4.011 3.960 -0.019 0.000 0.265 202 G HA3 0.062 4.011 3.960 -0.019 0.000 0.265 202 G C -0.413 174.411 174.900 -0.127 0.000 1.227 202 G CA -0.560 44.542 45.100 0.003 0.000 0.926 202 G HN 0.514 nan 8.290 nan 0.000 0.581 203 N N 1.421 120.086 118.700 -0.058 0.000 2.663 203 N HA 0.174 4.903 4.740 -0.019 0.000 0.250 203 N C 0.844 176.232 175.510 -0.204 0.000 1.129 203 N CA -0.715 52.210 53.050 -0.209 0.000 0.995 203 N CB 0.305 38.756 38.487 -0.060 0.000 1.324 203 N HN 0.575 nan 8.380 nan 0.000 0.512 204 Y N -0.535 119.716 120.300 -0.082 0.000 2.716 204 Y HA -0.010 4.529 4.550 -0.019 0.000 0.302 204 Y C 1.320 177.195 175.900 -0.042 0.000 1.160 204 Y CA 0.152 58.201 58.100 -0.086 0.000 1.362 204 Y CB -0.320 38.059 38.460 -0.136 0.000 0.988 204 Y HN 0.199 nan 8.280 nan 0.000 0.546 205 T N -0.824 113.684 114.554 -0.076 0.000 3.010 205 T HA 0.022 4.361 4.350 -0.019 0.000 0.257 205 T C -0.297 174.396 174.700 -0.012 0.000 1.020 205 T CA 0.005 62.099 62.100 -0.010 0.000 0.938 205 T CB -0.206 68.630 68.868 -0.054 0.000 1.049 205 T HN 0.361 nan 8.240 nan 0.000 0.522 206 D N 2.534 122.921 120.400 -0.021 0.000 2.316 206 D HA 0.166 4.795 4.640 -0.019 0.000 0.245 206 D C -1.192 175.116 176.300 0.013 0.000 1.171 206 D CA -2.259 51.739 54.000 -0.002 0.000 0.856 206 D CB 1.512 42.316 40.800 0.007 0.000 1.090 206 D HN 0.007 nan 8.370 nan 0.000 0.476 207 P HA -0.211 nan 4.420 nan 0.000 0.218 207 P C 0.870 178.182 177.300 0.020 0.000 1.146 207 P CA 0.891 64.000 63.100 0.014 0.000 0.813 207 P CB 0.410 32.114 31.700 0.007 0.000 0.778 208 E N -0.888 119.326 120.200 0.022 0.000 2.427 208 E HA -0.068 4.271 4.350 -0.019 0.000 0.196 208 E C 1.637 178.266 176.600 0.048 0.000 1.028 208 E CA 0.297 56.717 56.400 0.033 0.000 0.864 208 E CB -0.648 29.073 29.700 0.034 0.000 0.813 208 E HN 0.149 nan 8.360 nan 0.000 0.514 209 L N -0.948 120.304 121.223 0.049 0.000 2.445 209 L HA 0.126 4.454 4.340 -0.019 0.000 0.207 209 L C 2.124 179.022 176.870 0.046 0.000 1.053 209 L CA 1.615 56.490 54.840 0.058 0.000 0.841 209 L CB -0.659 41.438 42.059 0.063 0.000 1.074 209 L HN 0.202 nan 8.230 nan 0.000 0.479 210 T N -2.084 112.493 114.554 0.039 0.000 2.857 210 T HA 0.363 4.702 4.350 -0.019 0.000 0.266 210 T C 1.197 175.914 174.700 0.029 0.000 1.048 210 T CA 0.604 62.725 62.100 0.035 0.000 1.139 210 T CB -0.956 67.933 68.868 0.035 0.000 0.874 210 T HN 0.847 nan 8.240 nan 0.000 0.455 211 G N 1.756 110.573 108.800 0.027 0.000 2.796 211 G HA2 0.011 3.959 3.960 -0.019 0.000 0.571 211 G HA3 0.011 3.959 3.960 -0.019 0.000 0.571 211 G C -2.944 171.967 174.900 0.018 0.000 1.370 211 G CA -0.774 44.340 45.100 0.023 0.000 0.856 211 G HN 0.517 nan 8.290 nan 0.000 0.538 212 P HA 0.375 nan 4.420 nan 0.000 0.269 212 P C 0.536 177.843 177.300 0.012 0.000 1.209 212 P CA -0.254 62.853 63.100 0.012 0.000 0.776 212 P CB 0.375 32.081 31.700 0.010 0.000 0.876 213 L N 2.597 123.827 121.223 0.011 0.000 2.453 213 L HA 0.288 4.617 4.340 -0.019 0.000 0.261 213 L C 1.134 178.009 176.870 0.007 0.000 1.179 213 L CA -0.527 54.319 54.840 0.010 0.000 0.813 213 L CB 0.251 42.316 42.059 0.010 0.000 1.110 213 L HN 0.304 nan 8.230 nan 0.000 0.466 214 R N 0.098 120.601 120.500 0.005 0.000 2.449 214 R HA 0.059 4.388 4.340 -0.019 0.000 0.296 214 R C 0.718 177.020 176.300 0.003 0.000 1.047 214 R CA 0.211 56.313 56.100 0.003 0.000 1.018 214 R CB 0.424 30.725 30.300 0.001 0.000 0.962 214 R HN 0.688 nan 8.270 nan 0.000 0.428 215 T N -2.870 111.686 114.554 0.002 0.000 3.054 215 T HA -0.034 4.305 4.350 -0.019 0.000 0.255 215 T C 1.477 176.177 174.700 0.000 0.000 1.035 215 T CA 0.238 62.339 62.100 0.002 0.000 0.941 215 T CB 0.341 69.210 68.868 0.002 0.000 1.026 215 T HN 0.662 nan 8.240 nan 0.000 0.533 216 T N -0.092 114.461 114.554 -0.000 0.000 3.023 216 T HA 0.059 4.398 4.350 -0.019 0.000 0.266 216 T C 0.837 175.536 174.700 -0.003 0.000 1.093 216 T CA 0.119 62.218 62.100 -0.002 0.000 1.129 216 T CB -0.434 68.433 68.868 -0.002 0.000 0.899 216 T HN 0.397 nan 8.240 nan 0.000 0.491 217 Q N 1.725 121.523 119.800 -0.003 0.000 2.296 217 Q HA 0.357 4.686 4.340 -0.019 0.000 0.263 217 Q C -0.736 175.263 176.000 -0.003 0.000 1.026 217 Q CA -0.132 55.669 55.803 -0.004 0.000 0.912 217 Q CB 0.775 29.510 28.738 -0.004 0.000 1.198 217 Q HN 0.184 nan 8.270 nan 0.000 0.407 218 K N 3.141 123.539 120.400 -0.003 0.000 2.095 218 K HA 0.389 4.698 4.320 -0.019 0.000 0.252 218 K C -2.128 174.471 176.600 -0.001 0.000 0.977 218 K CA -1.612 54.674 56.287 -0.002 0.000 0.900 218 K CB 0.358 32.856 32.500 -0.003 0.000 1.060 218 K HN 0.412 nan 8.250 nan 0.000 0.449 219 P HA 0.224 nan 4.420 nan 0.000 0.271 219 P C -0.791 176.510 177.300 0.002 0.000 1.218 219 P CA -0.028 63.073 63.100 0.002 0.000 0.780 219 P CB 0.593 32.295 31.700 0.003 0.000 0.901 220 I N 0.995 121.567 120.570 0.004 0.000 2.439 220 I HA 0.137 4.295 4.170 -0.019 0.000 0.283 220 I C 0.143 176.265 176.117 0.009 0.000 1.023 220 I CA -0.536 60.767 61.300 0.005 0.000 1.100 220 I CB 1.829 39.832 38.000 0.004 0.000 1.238 220 I HN 0.279 nan 8.210 nan 0.000 0.445 221 S N 7.651 123.358 115.700 0.011 0.000 2.429 221 S HA 0.618 5.076 4.470 -0.019 0.000 0.302 221 S C -0.498 174.114 174.600 0.021 0.000 1.115 221 S CA -0.474 57.735 58.200 0.015 0.000 1.095 221 S CB 0.371 63.579 63.200 0.013 0.000 0.987 221 S HN 0.438 nan 8.310 nan 0.000 0.474 222 I N 4.935 125.519 120.570 0.025 0.000 2.339 222 I HA 0.368 4.526 4.170 -0.019 0.000 0.290 222 I C 0.097 176.236 176.117 0.037 0.000 0.994 222 I CA -0.335 60.986 61.300 0.036 0.000 1.191 222 I CB 1.865 39.893 38.000 0.046 0.000 1.343 222 I HN 0.510 nan 8.210 nan 0.000 0.458 223 T N 5.107 119.686 114.554 0.042 0.000 2.901 223 T HA 0.418 4.757 4.350 -0.019 0.000 0.293 223 T C -0.666 174.064 174.700 0.049 0.000 1.084 223 T CA -0.752 61.372 62.100 0.039 0.000 1.008 223 T CB 2.258 71.144 68.868 0.029 0.000 1.170 223 T HN 0.458 nan 8.240 nan 0.000 0.509 224 Q N 1.102 120.928 119.800 0.044 0.000 2.891 224 Q HA 0.222 4.551 4.340 -0.019 0.000 0.242 224 Q C -2.152 173.865 176.000 0.028 0.000 0.959 224 Q CA -1.665 54.166 55.803 0.046 0.000 0.707 224 Q CB 1.804 30.577 28.738 0.058 0.000 1.283 224 Q HN 0.348 nan 8.270 nan 0.000 0.480 225 P HA -0.204 nan 4.420 nan 0.000 0.218 225 P C 0.143 177.449 177.300 0.011 0.000 1.146 225 P CA 1.485 64.595 63.100 0.017 0.000 0.820 225 P CB 0.364 32.074 31.700 0.017 0.000 0.778 226 E N -1.527 118.679 120.200 0.009 0.000 2.603 226 E HA 0.378 4.717 4.350 -0.019 0.000 0.211 226 E C 0.742 177.334 176.600 -0.013 0.000 0.995 226 E CA -0.004 56.396 56.400 0.000 0.000 0.990 226 E CB 0.410 30.112 29.700 0.003 0.000 1.036 226 E HN 0.117 nan 8.360 nan 0.000 0.475 227 G N 2.302 111.093 108.800 -0.014 0.000 2.757 227 G HA2 -0.189 3.759 3.960 -0.019 0.000 0.638 227 G HA3 -0.189 3.759 3.960 -0.019 0.000 0.638 227 G C -2.852 172.013 174.900 -0.058 0.000 1.344 227 G CA -1.196 43.876 45.100 -0.045 0.000 0.855 227 G HN -0.043 nan 8.290 nan 0.000 0.537 228 P HA 0.410 nan 4.420 nan 0.000 0.274 228 P C 0.664 177.874 177.300 -0.150 0.000 1.256 228 P CA 0.036 63.022 63.100 -0.191 0.000 0.795 228 P CB 0.832 32.090 31.700 -0.737 0.000 1.038 229 S N -0.737 115.019 115.700 0.092 0.000 2.548 229 S HA 0.154 4.613 4.470 -0.019 0.000 0.215 229 S C 0.424 175.196 174.600 0.286 0.000 0.976 229 S CA 0.000 58.301 58.200 0.167 0.000 0.908 229 S CB -0.775 62.553 63.200 0.213 0.000 0.781 229 S HN 0.500 nan 8.310 nan 0.000 0.519 230 F N 2.233 122.390 119.950 0.345 0.000 2.399 230 F HA 0.746 5.261 4.527 -0.019 0.000 0.328 230 F C 0.132 176.023 175.800 0.153 0.000 1.084 230 F CA -1.068 57.115 58.000 0.305 0.000 1.053 230 F CB 0.448 39.592 39.000 0.240 0.000 1.209 230 F HN -0.121 nan 8.300 nan 0.000 0.502 231 T N 0.084 114.805 114.554 0.278 0.000 2.829 231 T HA 0.697 5.036 4.350 -0.019 0.000 0.280 231 T C -1.002 173.836 174.700 0.230 0.000 0.999 231 T CA -0.817 61.377 62.100 0.156 0.000 0.983 231 T CB 1.411 70.351 68.868 0.120 0.000 0.968 231 T HN 0.654 nan 8.240 nan 0.000 0.446 232 V N 3.951 123.978 119.914 0.189 0.000 2.334 232 V HA 0.626 4.734 4.120 -0.019 0.000 0.281 232 V C 0.576 176.763 176.094 0.155 0.000 1.016 232 V CA -0.657 61.756 62.300 0.188 0.000 0.832 232 V CB 0.784 32.720 31.823 0.188 0.000 0.999 232 V HN 1.239 nan 8.190 nan 0.000 0.439 233 T N 0.305 114.973 114.554 0.190 0.000 2.924 233 T HA 0.678 5.017 4.350 -0.019 0.000 0.291 233 T C 0.869 175.662 174.700 0.156 0.000 1.045 233 T CA -0.077 62.117 62.100 0.157 0.000 1.015 233 T CB 1.749 70.709 68.868 0.153 0.000 1.103 233 T HN 1.607 nan 8.240 nan 0.000 0.496 234 G N -0.041 108.819 108.800 0.101 0.000 2.258 234 G HA2 0.096 4.045 3.960 -0.019 0.000 0.274 234 G HA3 0.096 4.045 3.960 -0.019 0.000 0.274 234 G C 1.308 176.269 174.900 0.100 0.000 1.021 234 G CA 0.919 46.071 45.100 0.087 0.000 0.798 234 G HN 2.366 nan 8.290 nan 0.000 0.507 235 G N -0.110 108.749 108.800 0.099 0.000 2.507 235 G HA2 -0.309 3.640 3.960 -0.019 0.000 0.240 235 G HA3 -0.309 3.640 3.960 -0.019 0.000 0.240 235 G C 0.959 175.920 174.900 0.102 0.000 1.119 235 G CA 1.357 46.512 45.100 0.092 0.000 0.664 235 G HN 2.190 nan 8.290 nan 0.000 0.516 236 N N -0.518 118.256 118.700 0.124 0.000 2.142 236 N HA 0.090 4.819 4.740 -0.019 0.000 0.233 236 N C -0.198 175.389 175.510 0.129 0.000 1.335 236 N CA 0.157 53.274 53.050 0.111 0.000 0.837 236 N CB -0.352 38.198 38.487 0.106 0.000 1.238 236 N HN 0.581 nan 8.380 nan 0.000 0.501 237 H N 1.809 120.923 119.070 0.074 0.000 2.782 237 H HA 0.259 4.804 4.556 -0.019 0.000 0.285 237 H C -0.672 174.709 175.328 0.088 0.000 1.093 237 H CA -0.281 55.808 56.048 0.069 0.000 1.410 237 H CB 0.804 30.608 29.762 0.070 0.000 1.439 237 H HN -0.022 nan 8.280 nan 0.000 0.469 238 I N 4.908 125.265 120.570 -0.355 0.000 2.392 238 I HA 0.202 4.361 4.170 -0.019 0.000 0.295 238 I C 0.244 176.227 176.117 -0.224 0.000 0.985 238 I CA -0.430 60.767 61.300 -0.172 0.000 1.221 238 I CB 1.465 39.378 38.000 -0.146 0.000 1.366 238 I HN 0.590 nan 8.210 nan 0.000 0.467 239 E N 5.547 125.781 120.200 0.057 0.000 2.216 239 E HA 0.310 4.649 4.350 -0.019 0.000 0.260 239 E C -1.725 175.075 176.600 0.332 0.000 0.880 239 E CA -0.541 55.947 56.400 0.146 0.000 0.765 239 E CB 2.577 32.373 29.700 0.160 0.000 1.174 239 E HN 0.589 nan 8.360 nan 0.000 0.417 240 W N 3.911 125.285 121.300 0.123 0.000 3.132 240 W HA 0.150 4.799 4.660 -0.018 0.000 0.337 240 W C -0.557 176.072 176.519 0.183 0.000 1.082 240 W CA -0.414 57.034 57.345 0.171 0.000 1.242 240 W CB 0.994 30.555 29.460 0.168 0.000 1.354 240 W HN 0.327 nan 8.180 nan 0.000 0.461 241 E N 6.136 126.093 120.200 -0.406 0.000 2.149 241 E HA -0.305 4.034 4.350 -0.019 0.000 0.191 241 E C 0.493 176.801 176.600 -0.486 0.000 1.384 241 E CA 1.719 57.774 56.400 -0.574 0.000 0.698 241 E CB -0.835 28.170 29.700 -1.158 0.000 1.086 241 E HN 0.743 nan 8.360 nan 0.000 0.338 242 K N -4.423 115.708 120.400 -0.448 0.000 3.578 242 K HA -0.238 4.070 4.320 -0.019 0.000 0.270 242 K C 0.329 176.492 176.600 -0.727 0.000 1.003 242 K CA 1.853 57.675 56.287 -0.776 0.000 1.128 242 K CB -1.863 29.669 32.500 -1.614 0.000 1.341 242 K HN 0.363 nan 8.250 nan 0.000 0.499 243 W N 1.738 122.833 121.300 -0.340 0.000 2.202 243 W HA 0.418 5.068 4.660 -0.018 0.000 0.332 243 W C 0.893 177.402 176.519 -0.017 0.000 1.263 243 W CA 0.071 57.380 57.345 -0.059 0.000 1.223 243 W CB 1.040 30.617 29.460 0.195 0.000 1.128 243 W HN 0.025 nan 8.180 nan 0.000 0.573 244 S N 3.768 119.656 115.700 0.313 0.000 2.572 244 S HA 0.794 5.253 4.470 -0.019 0.000 0.274 244 S C -1.102 173.533 174.600 0.059 0.000 1.150 244 S CA -0.759 57.514 58.200 0.120 0.000 0.944 244 S CB 0.210 63.505 63.200 0.157 0.000 1.071 244 S HN 0.537 nan 8.310 nan 0.000 0.479 245 L N 1.206 122.340 121.223 -0.149 0.000 3.079 245 L HA 0.742 5.071 4.340 -0.019 0.000 0.278 245 L C -2.190 174.569 176.870 -0.186 0.000 1.026 245 L CA -1.012 53.748 54.840 -0.132 0.000 0.963 245 L CB 1.688 43.663 42.059 -0.139 0.000 1.526 245 L HN 0.409 nan 8.230 nan 0.000 0.397 246 D N 1.522 121.875 120.400 -0.077 0.000 2.502 246 D HA 0.462 5.091 4.640 -0.019 0.000 0.249 246 D C -0.802 175.509 176.300 0.019 0.000 1.092 246 D CA -0.252 53.767 54.000 0.031 0.000 0.839 246 D CB 3.166 44.035 40.800 0.115 0.000 1.264 246 D HN 0.370 nan 8.370 nan 0.000 0.511 247 V N 2.175 122.095 119.914 0.009 0.000 2.368 247 V HA 0.478 4.587 4.120 -0.019 0.000 0.266 247 V C 0.982 177.126 176.094 0.083 0.000 1.045 247 V CA -0.297 61.991 62.300 -0.020 0.000 0.899 247 V CB 1.112 32.910 31.823 -0.042 0.000 1.006 247 V HN 0.598 nan 8.190 nan 0.000 0.470 248 G N 3.278 112.132 108.800 0.091 0.000 2.552 248 G HA2 0.727 4.676 3.960 -0.019 0.000 0.324 248 G HA3 0.727 4.676 3.960 -0.019 0.000 0.324 248 G C -1.576 173.411 174.900 0.145 0.000 1.217 248 G CA -0.496 44.716 45.100 0.186 0.000 0.989 248 G HN 0.494 nan 8.290 nan 0.000 0.490 249 F N -0.029 119.904 119.950 -0.030 0.000 2.588 249 F HA 0.492 5.008 4.527 -0.019 0.000 0.318 249 F C -1.516 174.237 175.800 -0.078 0.000 1.155 249 F CA -0.859 57.078 58.000 -0.105 0.000 0.967 249 F CB 2.546 41.470 39.000 -0.126 0.000 1.236 249 F HN 0.517 nan 8.300 nan 0.000 0.455 250 D N 3.819 123.879 120.400 -0.566 0.000 2.646 250 D HA 0.301 4.930 4.640 -0.019 0.000 0.245 250 D C 0.263 176.256 176.300 -0.511 0.000 1.099 250 D CA -0.527 53.280 54.000 -0.321 0.000 0.849 250 D CB 2.454 43.167 40.800 -0.145 0.000 1.448 250 D HN 0.374 nan 8.370 nan 0.000 0.489 251 V N 4.334 124.130 119.914 -0.197 0.000 2.568 251 V HA -0.159 3.950 4.120 -0.019 0.000 0.253 251 V C 2.044 178.084 176.094 -0.091 0.000 1.072 251 V CA 2.161 64.385 62.300 -0.126 0.000 1.084 251 V CB -0.370 31.429 31.823 -0.040 0.000 0.676 251 V HN 0.616 nan 8.190 nan 0.000 0.469 252 R N -0.571 119.929 120.500 0.000 0.000 2.057 252 R HA -0.043 4.286 4.340 -0.019 0.000 0.224 252 R C 2.266 178.514 176.300 -0.087 0.000 1.136 252 R CA 1.658 57.748 56.100 -0.016 0.000 0.968 252 R CB -0.195 30.059 30.300 -0.078 0.000 0.863 252 R HN 0.577 nan 8.270 nan 0.000 0.433 253 E N -0.704 119.419 120.200 -0.129 0.000 2.170 253 E HA 0.127 4.466 4.350 -0.019 0.000 0.191 253 E C 0.696 177.097 176.600 -0.332 0.000 0.981 253 E CA 0.469 56.785 56.400 -0.139 0.000 0.830 253 E CB 0.486 30.150 29.700 -0.060 0.000 0.775 253 E HN 0.552 nan 8.360 nan 0.000 0.470 254 G N 0.550 108.920 108.800 -0.717 0.000 2.481 254 G HA2 -0.276 3.673 3.960 -0.019 0.000 0.230 254 G HA3 -0.276 3.673 3.960 -0.019 0.000 0.230 254 G C -0.222 174.076 174.900 -1.004 0.000 1.210 254 G CA -0.400 43.916 45.100 -1.307 0.000 0.936 254 G HN 0.100 nan 8.290 nan 0.000 0.583 255 V N 0.625 120.197 119.914 -0.570 0.000 2.599 255 V HA 0.407 4.516 4.120 -0.019 0.000 0.300 255 V C 0.821 176.839 176.094 -0.127 0.000 1.034 255 V CA 0.322 62.575 62.300 -0.078 0.000 1.115 255 V CB 0.875 32.854 31.823 0.260 0.000 0.934 255 V HN 0.940 nan 8.190 nan 0.000 0.485 256 V N 6.417 126.183 119.914 -0.247 0.000 2.789 256 V HA 0.508 4.617 4.120 -0.019 0.000 0.311 256 V C -0.306 175.422 176.094 -0.610 0.000 1.073 256 V CA -0.673 61.375 62.300 -0.419 0.000 0.921 256 V CB 2.043 33.657 31.823 -0.349 0.000 1.009 256 V HN 0.625 nan 8.190 nan 0.000 0.426 257 L N 4.587 125.328 121.223 -0.802 0.000 2.307 257 L HA 0.676 5.005 4.340 -0.019 0.000 0.284 257 L C -0.595 175.840 176.870 -0.726 0.000 1.023 257 L CA -0.621 53.783 54.840 -0.726 0.000 0.810 257 L CB 1.366 42.948 42.059 -0.795 0.000 1.231 257 L HN 0.616 nan 8.230 nan 0.000 0.423 258 H N 2.950 121.855 119.070 -0.276 0.000 2.679 258 H HA 0.293 4.838 4.556 -0.019 0.000 0.367 258 H C -0.296 174.826 175.328 -0.343 0.000 1.162 258 H CA -0.828 55.034 56.048 -0.310 0.000 1.181 258 H CB 1.875 31.410 29.762 -0.378 0.000 1.693 258 H HN 0.557 nan 8.280 nan 0.000 0.538 259 N N 1.289 119.853 118.700 -0.227 0.000 2.686 259 N HA -0.206 4.523 4.740 -0.019 0.000 0.261 259 N C -0.357 175.095 175.510 -0.098 0.000 1.001 259 N CA 0.527 53.456 53.050 -0.202 0.000 0.764 259 N CB -1.241 37.071 38.487 -0.291 0.000 0.898 259 N HN 0.516 nan 8.380 nan 0.000 0.544 260 I N 0.549 121.067 120.570 -0.086 0.000 2.436 260 I HA 0.275 4.434 4.170 -0.019 0.000 0.289 260 I C 0.930 177.115 176.117 0.113 0.000 1.083 260 I CA 0.090 61.403 61.300 0.022 0.000 1.372 260 I CB 0.592 38.578 38.000 -0.024 0.000 1.408 260 I HN 0.351 nan 8.210 nan 0.000 0.516 261 A N 6.863 129.817 122.820 0.223 0.000 2.539 261 A HA 0.749 5.058 4.320 -0.019 0.000 0.296 261 A C -1.518 176.240 177.584 0.290 0.000 1.073 261 A CA -0.442 51.721 52.037 0.210 0.000 0.700 261 A CB 1.396 20.466 19.000 0.118 0.000 1.296 261 A HN 0.515 nan 8.150 nan 0.000 0.405 262 F N 0.691 120.670 119.950 0.047 0.000 2.482 262 F HA 0.628 5.144 4.527 -0.019 0.000 0.331 262 F C 0.526 176.348 175.800 0.037 0.000 1.115 262 F CA -0.514 57.443 58.000 -0.070 0.000 0.955 262 F CB 1.748 40.657 39.000 -0.151 0.000 1.136 262 F HN 0.615 nan 8.300 nan 0.000 0.452 263 R N 3.999 124.444 120.500 -0.091 0.000 2.325 263 R HA 0.117 4.446 4.340 -0.019 0.000 0.323 263 R C -1.027 175.378 176.300 0.174 0.000 1.177 263 R CA -0.162 55.954 56.100 0.027 0.000 1.018 263 R CB -0.302 29.952 30.300 -0.076 0.000 1.070 263 R HN 0.505 nan 8.270 nan 0.000 0.495 264 D N 4.043 124.621 120.400 0.295 0.000 2.468 264 D HA 0.255 4.884 4.640 -0.019 0.000 0.218 264 D C 0.889 177.280 176.300 0.152 0.000 1.155 264 D CA 1.051 55.243 54.000 0.320 0.000 0.924 264 D CB 0.560 41.552 40.800 0.320 0.000 1.029 264 D HN 0.725 nan 8.370 nan 0.000 0.515 265 G N 4.727 113.596 108.800 0.114 0.000 2.559 265 G HA2 -0.351 3.598 3.960 -0.019 0.000 0.282 265 G HA3 -0.351 3.598 3.960 -0.019 0.000 0.282 265 G C 0.846 175.771 174.900 0.041 0.000 1.177 265 G CA 0.443 45.580 45.100 0.062 0.000 0.960 265 G HN 0.552 nan 8.290 nan 0.000 0.540 266 D N 1.577 121.996 120.400 0.032 0.000 2.271 266 D HA 0.009 4.638 4.640 -0.019 0.000 0.206 266 D C 1.313 177.628 176.300 0.025 0.000 0.967 266 D CA 0.942 54.956 54.000 0.022 0.000 0.867 266 D CB 0.009 40.818 40.800 0.015 0.000 0.960 266 D HN 0.880 nan 8.370 nan 0.000 0.509 267 R N 0.648 121.167 120.500 0.032 0.000 2.407 267 R HA 0.512 4.841 4.340 -0.019 0.000 0.303 267 R C -0.650 175.683 176.300 0.055 0.000 0.981 267 R CA -0.967 55.151 56.100 0.031 0.000 0.905 267 R CB 1.598 31.904 30.300 0.011 0.000 1.099 267 R HN -0.059 nan 8.270 nan 0.000 0.459 268 L N 3.369 124.622 121.223 0.050 0.000 2.283 268 L HA 0.290 4.619 4.340 -0.019 0.000 0.287 268 L C -0.512 176.404 176.870 0.076 0.000 1.073 268 L CA -0.137 54.745 54.840 0.071 0.000 0.822 268 L CB 0.518 42.611 42.059 0.057 0.000 1.186 268 L HN 0.599 nan 8.230 nan 0.000 0.436 269 R N 7.182 127.761 120.500 0.131 0.000 2.255 269 R HA 0.442 4.771 4.340 -0.019 0.000 0.326 269 R C -2.342 174.059 176.300 0.168 0.000 0.986 269 R CA -1.763 54.419 56.100 0.137 0.000 0.847 269 R CB 0.741 31.132 30.300 0.152 0.000 1.111 269 R HN 0.504 nan 8.270 nan 0.000 0.452 270 P HA 0.098 nan 4.420 nan 0.000 0.274 270 P C -0.151 177.151 177.300 0.003 0.000 1.231 270 P CA 0.011 63.109 63.100 -0.003 0.000 0.790 270 P CB 1.308 32.926 31.700 -0.136 0.000 0.951 271 I N 0.739 121.249 120.570 -0.099 0.000 3.746 271 I HA 0.240 4.399 4.170 -0.019 0.000 0.262 271 I C 0.696 176.659 176.117 -0.256 0.000 1.153 271 I CA 0.203 61.337 61.300 -0.276 0.000 1.395 271 I CB 0.361 38.103 38.000 -0.430 0.000 1.589 271 I HN 0.133 nan 8.210 nan 0.000 0.441 272 I N 1.327 121.782 120.570 -0.190 0.000 2.447 272 I HA 0.185 4.344 4.170 -0.019 0.000 0.287 272 I C 0.363 176.388 176.117 -0.153 0.000 1.023 272 I CA -0.300 60.900 61.300 -0.167 0.000 1.083 272 I CB 1.899 39.808 38.000 -0.153 0.000 1.245 272 I HN 0.046 nan 8.210 nan 0.000 0.434 273 N N 4.925 123.547 118.700 -0.129 0.000 2.142 273 N HA -0.035 4.694 4.740 -0.019 0.000 0.186 273 N C 0.410 175.876 175.510 -0.073 0.000 1.023 273 N CA 1.522 54.526 53.050 -0.076 0.000 0.852 273 N CB 0.366 38.906 38.487 0.088 0.000 0.998 273 N HN 0.597 nan 8.380 nan 0.000 0.424 274 R N -0.880 119.555 120.500 -0.109 0.000 2.561 274 R HA 0.597 4.926 4.340 -0.019 0.000 0.266 274 R C -2.113 174.035 176.300 -0.255 0.000 1.091 274 R CA -0.624 55.366 56.100 -0.183 0.000 0.927 274 R CB 1.361 31.622 30.300 -0.065 0.000 1.240 274 R HN 0.069 nan 8.270 nan 0.000 0.449 275 A N 2.040 124.625 122.820 -0.391 0.000 2.422 275 A HA 0.758 5.067 4.320 -0.019 0.000 0.302 275 A C -1.215 176.106 177.584 -0.437 0.000 1.041 275 A CA -0.392 51.417 52.037 -0.380 0.000 0.708 275 A CB 1.744 20.450 19.000 -0.489 0.000 1.257 275 A HN 0.863 nan 8.150 nan 0.000 0.414 276 S N 1.056 116.671 115.700 -0.141 0.000 2.587 276 S HA 0.621 5.079 4.470 -0.019 0.000 0.269 276 S C -1.126 173.564 174.600 0.150 0.000 1.154 276 S CA -0.738 57.462 58.200 -0.000 0.000 0.824 276 S CB 0.777 63.913 63.200 -0.107 0.000 1.118 276 S HN 0.612 nan 8.310 nan 0.000 0.462 277 I N 2.312 123.002 120.570 0.201 0.000 2.281 277 I HA 0.347 4.506 4.170 -0.019 0.000 0.293 277 I C 1.488 177.683 176.117 0.131 0.000 1.085 277 I CA -0.391 61.011 61.300 0.169 0.000 1.257 277 I CB 0.087 38.268 38.000 0.302 0.000 1.430 277 I HN 0.991 nan 8.210 nan 0.000 0.489 278 A N 5.207 128.079 122.820 0.085 0.000 2.119 278 A HA -0.002 4.307 4.320 -0.019 0.000 0.217 278 A C 0.840 178.490 177.584 0.109 0.000 1.153 278 A CA 1.126 53.242 52.037 0.131 0.000 0.692 278 A CB 0.048 19.133 19.000 0.143 0.000 0.799 278 A HN 0.652 nan 8.150 nan 0.000 0.458 279 E N -2.103 118.077 120.200 -0.034 0.000 2.401 279 E HA 0.595 4.934 4.350 -0.019 0.000 0.280 279 E C -1.189 175.344 176.600 -0.112 0.000 1.039 279 E CA -0.374 55.952 56.400 -0.122 0.000 0.814 279 E CB 1.041 30.470 29.700 -0.452 0.000 1.275 279 E HN 0.224 nan 8.360 nan 0.000 0.448 280 M N 4.087 123.642 119.600 -0.076 0.000 2.221 280 M HA 0.487 4.956 4.480 -0.019 0.000 0.259 280 M C -2.002 174.142 176.300 -0.261 0.000 1.001 280 M CA -0.750 54.378 55.300 -0.286 0.000 1.009 280 M CB 1.423 33.836 32.600 -0.312 0.000 1.939 280 M HN 0.379 nan 8.290 nan 0.000 0.477 281 V N 5.775 125.492 119.914 -0.327 0.000 2.555 281 V HA 0.733 4.842 4.120 -0.019 0.000 0.302 281 V C -1.256 174.598 176.094 -0.401 0.000 1.038 281 V CA -0.289 61.725 62.300 -0.476 0.000 0.887 281 V CB 2.172 33.620 31.823 -0.624 0.000 0.991 281 V HN 0.689 nan 8.190 nan 0.000 0.434 282 V N 8.862 128.618 119.914 -0.264 0.000 2.266 282 V HA 0.384 4.492 4.120 -0.019 0.000 0.266 282 V C -2.375 173.727 176.094 0.013 0.000 1.036 282 V CA -1.324 60.899 62.300 -0.128 0.000 0.828 282 V CB 1.225 33.013 31.823 -0.057 0.000 1.081 282 V HN 0.809 nan 8.190 nan 0.000 0.449 283 P HA 0.276 nan 4.420 nan 0.000 0.280 283 P C -1.169 176.108 177.300 -0.038 0.000 1.244 283 P CA -0.189 62.907 63.100 -0.006 0.000 0.784 283 P CB 1.014 32.672 31.700 -0.072 0.000 0.913 284 Y N 0.701 121.007 120.300 0.010 0.000 2.352 284 Y HA 0.455 4.994 4.550 -0.019 0.000 0.326 284 Y C 1.801 177.709 175.900 0.013 0.000 1.166 284 Y CA 0.379 58.492 58.100 0.022 0.000 1.182 284 Y CB 1.278 39.684 38.460 -0.090 0.000 1.216 284 Y HN 0.487 nan 8.280 nan 0.000 0.474 285 G N 0.849 109.724 108.800 0.124 0.000 3.393 285 G HA2 -0.019 3.930 3.960 -0.019 0.000 0.255 285 G HA3 -0.019 3.930 3.960 -0.019 0.000 0.255 285 G C -0.551 174.389 174.900 0.066 0.000 1.097 285 G CA -0.145 45.014 45.100 0.098 0.000 0.780 285 G HN 0.516 nan 8.290 nan 0.000 0.540 286 D N 1.349 121.780 120.400 0.052 0.000 2.295 286 D HA 0.233 4.862 4.640 -0.019 0.000 0.248 286 D C -1.359 174.923 176.300 -0.030 0.000 1.154 286 D CA -2.302 51.687 54.000 -0.020 0.000 0.857 286 D CB 2.216 43.008 40.800 -0.014 0.000 1.117 286 D HN 0.050 nan 8.370 nan 0.000 0.468 287 P HA 0.027 nan 4.420 nan 0.000 0.255 287 P C 0.087 177.376 177.300 -0.019 0.000 1.301 287 P CA -0.192 62.897 63.100 -0.019 0.000 0.817 287 P CB 0.122 31.821 31.700 -0.002 0.000 1.259 288 S N 1.525 117.206 115.700 -0.030 0.000 2.548 288 S HA 0.217 4.676 4.470 -0.019 0.000 0.277 288 S C -1.385 173.222 174.600 0.011 0.000 1.315 288 S CA -1.200 56.994 58.200 -0.010 0.000 1.050 288 S CB 0.586 63.764 63.200 -0.036 0.000 0.918 288 S HN -0.118 nan 8.310 nan 0.000 0.497 289 P HA -0.120 nan 4.420 nan 0.000 0.218 289 P C 1.180 178.618 177.300 0.229 0.000 1.146 289 P CA 0.801 63.980 63.100 0.132 0.000 0.813 289 P CB 0.025 31.803 31.700 0.130 0.000 0.778 290 I N -1.167 119.502 120.570 0.165 0.000 2.454 290 I HA -0.139 4.020 4.170 -0.019 0.000 0.254 290 I C 1.729 177.993 176.117 0.245 0.000 1.156 290 I CA 1.621 63.061 61.300 0.234 0.000 1.433 290 I CB -1.006 37.044 38.000 0.083 0.000 1.082 290 I HN 0.048 nan 8.210 nan 0.000 0.432 291 R N -0.680 119.775 120.500 -0.075 0.000 2.541 291 R HA 0.108 4.437 4.340 -0.019 0.000 0.332 291 R C 1.815 177.693 176.300 -0.702 0.000 0.951 291 R CA 0.450 56.229 56.100 -0.536 0.000 1.136 291 R CB 0.270 30.373 30.300 -0.329 0.000 1.449 291 R HN 0.264 nan 8.270 nan 0.000 0.531 292 S N 0.753 116.225 115.700 -0.381 0.000 2.584 292 S HA -0.109 4.350 4.470 -0.019 0.000 0.240 292 S C 1.288 175.652 174.600 -0.393 0.000 0.975 292 S CA 0.404 58.433 58.200 -0.284 0.000 0.949 292 S CB -0.399 62.719 63.200 -0.138 0.000 0.761 292 S HN 0.601 nan 8.310 nan 0.000 0.536 293 W N 0.473 121.591 121.300 -0.303 0.000 3.107 293 W HA 0.385 5.034 4.660 -0.019 0.000 0.293 293 W C 0.449 177.001 176.519 0.054 0.000 1.239 293 W CA -0.639 56.440 57.345 -0.442 0.000 1.653 293 W CB -0.551 28.593 29.460 -0.527 0.000 1.068 293 W HN 0.260 nan 8.180 nan 0.000 0.615 294 Q N 2.995 122.287 119.800 -0.846 0.000 2.263 294 Q HA 0.090 4.419 4.340 -0.019 0.000 0.270 294 Q C -0.834 175.107 176.000 -0.097 0.000 1.104 294 Q CA 0.753 56.121 55.803 -0.724 0.000 0.909 294 Q CB 0.142 28.152 28.738 -1.213 0.000 1.214 294 Q HN 0.012 nan 8.270 nan 0.000 0.400 295 N N 4.537 123.274 118.700 0.062 0.000 2.542 295 N HA 0.125 4.854 4.740 -0.019 0.000 0.288 295 N C -1.897 173.753 175.510 0.233 0.000 1.115 295 N CA -0.418 52.753 53.050 0.200 0.000 0.924 295 N CB 1.050 39.689 38.487 0.253 0.000 1.526 295 N HN 0.426 nan 8.380 nan 0.000 0.515 296 Y N 1.183 121.551 120.300 0.114 0.000 2.383 296 Y HA 0.354 4.893 4.550 -0.019 0.000 0.344 296 Y C 0.172 176.095 175.900 0.037 0.000 0.986 296 Y CA -0.423 57.773 58.100 0.160 0.000 1.175 296 Y CB 0.336 38.782 38.460 -0.024 0.000 1.152 296 Y HN 0.379 nan 8.280 nan 0.000 0.511 297 F N 3.585 123.768 119.950 0.389 0.000 2.425 297 F HA 0.187 4.703 4.527 -0.019 0.000 0.354 297 F C 1.161 177.157 175.800 0.325 0.000 1.162 297 F CA -0.546 57.615 58.000 0.267 0.000 1.250 297 F CB 0.191 39.320 39.000 0.215 0.000 1.579 297 F HN 0.609 nan 8.300 nan 0.000 0.589 298 D N 0.539 121.096 120.400 0.262 0.000 2.158 298 D HA -0.159 4.470 4.640 -0.019 0.000 0.197 298 D C 1.823 178.297 176.300 0.290 0.000 0.995 298 D CA 1.774 55.903 54.000 0.216 0.000 0.846 298 D CB 0.162 40.963 40.800 0.001 0.000 0.941 298 D HN 0.391 nan 8.370 nan 0.000 0.456 299 T N -0.003 114.676 114.554 0.209 0.000 2.781 299 T HA 0.011 4.349 4.350 -0.019 0.000 0.252 299 T C 2.049 176.824 174.700 0.125 0.000 1.039 299 T CA 1.155 63.346 62.100 0.151 0.000 1.147 299 T CB -0.517 68.409 68.868 0.096 0.000 0.865 299 T HN 0.205 nan 8.240 nan 0.000 0.423 300 G N 1.167 110.053 108.800 0.144 0.000 2.421 300 G HA2 -0.168 3.781 3.960 -0.019 0.000 0.216 300 G HA3 -0.168 3.781 3.960 -0.019 0.000 0.216 300 G C 1.457 176.412 174.900 0.091 0.000 1.171 300 G CA 0.766 45.892 45.100 0.043 0.000 0.775 300 G HN 0.501 nan 8.290 nan 0.000 0.543 301 E N -1.089 119.267 120.200 0.260 0.000 2.127 301 E HA 0.087 4.425 4.350 -0.019 0.000 0.191 301 E C 2.111 178.832 176.600 0.202 0.000 0.964 301 E CA 0.366 56.882 56.400 0.193 0.000 0.832 301 E CB 0.027 29.856 29.700 0.215 0.000 0.790 301 E HN 0.530 nan 8.360 nan 0.000 0.465 302 Y N 0.071 120.563 120.300 0.320 0.000 2.389 302 Y HA 0.243 4.782 4.550 -0.019 0.000 0.292 302 Y C 0.298 176.450 175.900 0.420 0.000 1.117 302 Y CA 0.216 58.586 58.100 0.450 0.000 1.195 302 Y CB 0.330 39.074 38.460 0.473 0.000 1.076 302 Y HN -0.137 nan 8.280 nan 0.000 0.548 303 L N 0.736 122.216 121.223 0.427 0.000 2.719 303 L HA -0.187 4.142 4.340 -0.019 0.000 0.708 303 L C 1.107 178.137 176.870 0.267 0.000 1.102 303 L CA -0.007 54.981 54.840 0.246 0.000 1.378 303 L CB -1.751 40.409 42.059 0.168 0.000 2.051 303 L HN 0.161 nan 8.230 nan 0.000 0.945 304 V N -0.681 119.389 119.914 0.259 0.000 2.439 304 V HA -0.198 3.911 4.120 -0.019 0.000 0.253 304 V C 2.162 178.385 176.094 0.216 0.000 1.074 304 V CA 2.461 64.936 62.300 0.292 0.000 1.076 304 V CB -0.605 31.340 31.823 0.203 0.000 0.664 304 V HN 0.830 nan 8.190 nan 0.000 0.461 305 G N -0.648 108.145 108.800 -0.012 0.000 2.443 305 G HA2 -0.275 3.674 3.960 -0.019 0.000 0.219 305 G HA3 -0.275 3.674 3.960 -0.019 0.000 0.219 305 G C 1.539 176.513 174.900 0.123 0.000 1.131 305 G CA 0.839 45.881 45.100 -0.096 0.000 0.775 305 G HN 0.679 nan 8.290 nan 0.000 0.547 306 Q N -0.740 119.053 119.800 -0.012 0.000 2.119 306 Q HA -0.083 4.246 4.340 -0.019 0.000 0.201 306 Q C 1.461 177.318 176.000 -0.237 0.000 0.972 306 Q CA 1.040 56.733 55.803 -0.183 0.000 0.847 306 Q CB -0.183 28.312 28.738 -0.405 0.000 0.903 306 Q HN 0.573 nan 8.270 nan 0.000 0.433 307 Y N 0.180 120.623 120.300 0.238 0.000 2.461 307 Y HA 0.388 4.927 4.550 -0.019 0.000 0.277 307 Y C 0.465 176.531 175.900 0.277 0.000 1.182 307 Y CA -0.221 58.025 58.100 0.243 0.000 1.276 307 Y CB -0.355 38.254 38.460 0.248 0.000 1.087 307 Y HN 0.103 nan 8.280 nan 0.000 0.519 308 A N 1.103 124.152 122.820 0.381 0.000 2.567 308 A HA -0.028 4.281 4.320 -0.019 0.000 0.240 308 A C 0.346 178.125 177.584 0.324 0.000 1.053 308 A CA -0.138 52.159 52.037 0.433 0.000 0.755 308 A CB -0.419 18.822 19.000 0.402 0.000 0.978 308 A HN 0.597 nan 8.150 nan 0.000 0.507 309 N N 0.935 119.844 118.700 0.349 0.000 2.444 309 N HA 0.238 4.967 4.740 -0.019 0.000 0.255 309 N C -0.126 175.488 175.510 0.174 0.000 1.255 309 N CA -0.127 53.069 53.050 0.244 0.000 0.933 309 N CB 0.604 39.233 38.487 0.237 0.000 1.143 309 N HN 0.535 nan 8.380 nan 0.000 0.453 310 S N 1.682 117.444 115.700 0.104 0.000 2.473 310 S HA 0.231 4.690 4.470 -0.019 0.000 0.312 310 S C -0.148 174.469 174.600 0.028 0.000 1.087 310 S CA -0.732 57.490 58.200 0.038 0.000 1.077 310 S CB -0.598 62.607 63.200 0.008 0.000 1.065 310 S HN 0.278 nan 8.310 nan 0.000 0.510 311 L N 4.320 125.573 121.223 0.051 0.000 2.455 311 L HA 0.292 4.621 4.340 -0.019 0.000 0.272 311 L C 0.675 177.554 176.870 0.017 0.000 1.174 311 L CA -0.208 54.680 54.840 0.081 0.000 0.869 311 L CB 0.278 42.468 42.059 0.219 0.000 1.130 311 L HN 0.415 nan 8.230 nan 0.000 0.474 312 E N 2.592 122.812 120.200 0.032 0.000 2.231 312 E HA 0.325 4.664 4.350 -0.019 0.000 0.277 312 E C -0.570 176.086 176.600 0.093 0.000 0.999 312 E CA -1.001 55.413 56.400 0.022 0.000 0.827 312 E CB 2.105 31.808 29.700 0.006 0.000 1.101 312 E HN 0.239 nan 8.360 nan 0.000 0.393 313 L N 1.347 122.639 121.223 0.114 0.000 2.426 313 L HA 0.288 4.617 4.340 -0.019 0.000 0.271 313 L C 1.406 178.320 176.870 0.073 0.000 1.169 313 L CA 1.702 56.633 54.840 0.152 0.000 0.836 313 L CB 0.427 42.593 42.059 0.179 0.000 1.112 313 L HN 0.797 nan 8.230 nan 0.000 0.465 314 G N 1.964 110.794 108.800 0.051 0.000 2.304 314 G HA2 -0.347 3.602 3.960 -0.019 0.000 0.252 314 G HA3 -0.347 3.602 3.960 -0.019 0.000 0.252 314 G C 0.939 175.849 174.900 0.016 0.000 1.014 314 G CA 0.525 45.641 45.100 0.026 0.000 0.619 314 G HN 0.750 nan 8.290 nan 0.000 0.525 315 C N -0.233 119.079 119.300 0.021 0.000 2.587 315 C HA 0.295 4.744 4.460 -0.019 0.000 0.287 315 C C 2.218 177.204 174.990 -0.006 0.000 1.374 315 C CA 1.410 60.429 59.018 0.001 0.000 1.770 315 C CB -0.527 27.211 27.740 -0.004 0.000 2.137 315 C HN 0.565 nan 8.230 nan 0.000 0.550 316 D N -0.607 119.800 120.400 0.013 0.000 2.324 316 D HA 0.084 4.713 4.640 -0.019 0.000 0.212 316 D C 0.028 176.363 176.300 0.059 0.000 0.984 316 D CA 0.897 54.907 54.000 0.017 0.000 0.885 316 D CB 0.302 41.118 40.800 0.026 0.000 0.996 316 D HN 0.386 nan 8.370 nan 0.000 0.505 317 c N 2.036 120.666 118.600 0.049 0.000 2.407 317 c HA 0.468 5.026 4.570 -0.019 0.000 0.328 317 c C -0.447 173.591 174.090 -0.087 0.000 1.137 317 c CA -0.999 55.302 56.329 -0.047 0.000 1.390 317 c CB 0.713 43.186 42.510 -0.062 0.000 1.989 317 c HN 0.175 nan 8.230 nan 0.000 0.432 318 L N 4.059 125.209 121.223 -0.122 0.000 2.309 318 L HA 0.974 5.303 4.340 -0.019 0.000 0.282 318 L C 0.515 177.309 176.870 -0.126 0.000 1.036 318 L CA 1.658 56.451 54.840 -0.079 0.000 0.806 318 L CB 1.055 43.099 42.059 -0.026 0.000 1.220 318 L HN 1.046 nan 8.230 nan 0.000 0.429 319 G N 3.348 112.111 108.800 -0.062 0.000 2.337 319 G HA2 -0.106 3.843 3.960 -0.019 0.000 0.197 319 G HA3 -0.106 3.843 3.960 -0.019 0.000 0.197 319 G C -1.231 173.658 174.900 -0.018 0.000 1.238 319 G CA -0.214 44.871 45.100 -0.026 0.000 1.119 319 G HN 0.692 nan 8.290 nan 0.000 0.514 320 D N 1.505 121.921 120.400 0.027 0.000 2.485 320 D HA 0.433 5.061 4.640 -0.019 0.000 0.221 320 D C 0.295 176.623 176.300 0.048 0.000 1.112 320 D CA -0.311 53.711 54.000 0.036 0.000 0.911 320 D CB 0.030 40.865 40.800 0.057 0.000 1.019 320 D HN 0.374 nan 8.370 nan 0.000 0.516 321 I N 2.115 122.646 120.570 -0.065 0.000 2.440 321 I HA 0.209 4.368 4.170 -0.019 0.000 0.294 321 I C 0.790 176.817 176.117 -0.149 0.000 0.995 321 I CA -0.382 60.806 61.300 -0.187 0.000 1.306 321 I CB 1.429 39.096 38.000 -0.554 0.000 1.407 321 I HN 0.100 nan 8.210 nan 0.000 0.501 322 T N 6.241 120.770 114.554 -0.042 0.000 2.772 322 T HA 0.465 4.804 4.350 -0.019 0.000 0.288 322 T C -0.579 174.109 174.700 -0.020 0.000 0.994 322 T CA -0.248 61.886 62.100 0.056 0.000 0.951 322 T CB 0.350 69.390 68.868 0.287 0.000 0.933 322 T HN 0.157 nan 8.240 nan 0.000 0.447 323 Y N 2.437 122.790 120.300 0.088 0.000 2.352 323 Y HA 0.594 5.133 4.550 -0.018 0.000 0.326 323 Y C 0.222 176.143 175.900 0.035 0.000 1.166 323 Y CA -1.129 57.003 58.100 0.054 0.000 1.182 323 Y CB 0.958 39.440 38.460 0.036 0.000 1.216 323 Y HN 0.393 nan 8.280 nan 0.000 0.474 324 L N 2.121 123.460 121.223 0.194 0.000 2.341 324 L HA 0.464 4.793 4.340 -0.019 0.000 0.278 324 L C -0.539 176.335 176.870 0.007 0.000 1.005 324 L CA -0.559 54.327 54.840 0.076 0.000 0.818 324 L CB 1.712 43.791 42.059 0.033 0.000 1.259 324 L HN 0.548 nan 8.230 nan 0.000 0.418 325 S N 4.259 119.941 115.700 -0.031 0.000 2.512 325 S HA 0.319 4.778 4.470 -0.019 0.000 0.291 325 S C -2.266 172.251 174.600 -0.140 0.000 1.151 325 S CA -1.113 57.032 58.200 -0.093 0.000 1.120 325 S CB 0.448 63.611 63.200 -0.062 0.000 1.029 325 S HN 0.390 nan 8.310 nan 0.000 0.485 326 P HA 0.194 nan 4.420 nan 0.000 0.272 326 P C -0.777 176.412 177.300 -0.186 0.000 1.223 326 P CA -0.291 62.623 63.100 -0.310 0.000 0.784 326 P CB 0.740 31.943 31.700 -0.829 0.000 0.923 327 V N 3.807 123.681 119.914 -0.068 0.000 2.448 327 V HA 0.438 4.546 4.120 -0.019 0.000 0.295 327 V C 0.666 176.782 176.094 0.036 0.000 1.025 327 V CA -0.586 61.705 62.300 -0.015 0.000 0.859 327 V CB 1.157 32.984 31.823 0.007 0.000 0.988 327 V HN 0.499 nan 8.190 nan 0.000 0.431 328 I N 1.212 121.800 120.570 0.029 0.000 3.170 328 I HA 0.839 4.998 4.170 -0.019 0.000 0.312 328 I C -0.094 176.025 176.117 0.003 0.000 1.085 328 I CA -0.631 60.691 61.300 0.037 0.000 0.999 328 I CB 2.334 40.367 38.000 0.056 0.000 1.233 328 I HN 0.529 nan 8.210 nan 0.000 0.467 329 S N 1.171 116.855 115.700 -0.026 0.000 2.565 329 S HA 0.389 4.848 4.470 -0.019 0.000 0.290 329 S C -0.568 174.013 174.600 -0.032 0.000 1.150 329 S CA -0.597 57.583 58.200 -0.033 0.000 1.058 329 S CB 0.822 63.985 63.200 -0.063 0.000 1.032 329 S HN 0.815 nan 8.310 nan 0.000 0.510 330 D N 2.707 123.102 120.400 -0.007 0.000 2.478 330 D HA 0.404 5.032 4.640 -0.019 0.000 0.269 330 D C 1.292 177.534 176.300 -0.097 0.000 1.232 330 D CA -0.135 53.857 54.000 -0.014 0.000 1.059 330 D CB 0.055 40.892 40.800 0.062 0.000 1.104 330 D HN 0.501 nan 8.370 nan 0.000 0.566 331 A N -1.061 121.616 122.820 -0.238 0.000 2.131 331 A HA -0.056 4.253 4.320 -0.019 0.000 0.220 331 A C 1.423 178.632 177.584 -0.625 0.000 1.158 331 A CA 0.851 52.603 52.037 -0.475 0.000 0.665 331 A CB -0.933 17.665 19.000 -0.670 0.000 0.795 331 A HN 0.463 nan 8.150 nan 0.000 0.460 332 F N -1.567 118.394 119.950 0.018 0.000 2.653 332 F HA 0.415 4.930 4.527 -0.019 0.000 0.304 332 F C 1.725 177.521 175.800 -0.006 0.000 1.092 332 F CA 0.154 58.159 58.000 0.009 0.000 1.279 332 F CB 0.096 39.101 39.000 0.008 0.000 1.044 332 F HN 0.285 nan 8.300 nan 0.000 0.564 333 G N 0.608 109.453 108.800 0.075 0.000 2.176 333 G HA2 -0.304 3.645 3.960 -0.019 0.000 0.253 333 G HA3 -0.304 3.645 3.960 -0.019 0.000 0.253 333 G C 0.019 174.940 174.900 0.034 0.000 0.979 333 G CA -0.187 44.931 45.100 0.030 0.000 0.641 333 G HN 0.444 nan 8.290 nan 0.000 0.530 334 N N 2.277 121.026 118.700 0.082 0.000 2.529 334 N HA 0.504 5.233 4.740 -0.019 0.000 0.278 334 N C -2.390 173.138 175.510 0.030 0.000 1.146 334 N CA -1.063 52.022 53.050 0.057 0.000 0.980 334 N CB 1.510 40.051 38.487 0.090 0.000 1.124 334 N HN 0.152 nan 8.380 nan 0.000 0.458 335 P HA 0.155 nan 4.420 nan 0.000 0.286 335 P C -1.405 175.902 177.300 0.013 0.000 1.269 335 P CA -0.319 62.784 63.100 0.004 0.000 0.787 335 P CB 0.818 32.515 31.700 -0.006 0.000 0.920 336 R N 1.495 122.003 120.500 0.012 0.000 2.599 336 R HA 0.562 4.891 4.340 -0.019 0.000 0.295 336 R C -0.505 175.794 176.300 -0.002 0.000 0.963 336 R CA -0.906 55.201 56.100 0.013 0.000 0.883 336 R CB 1.942 32.256 30.300 0.025 0.000 1.171 336 R HN 0.359 nan 8.270 nan 0.000 0.450 337 E N 3.606 123.800 120.200 -0.010 0.000 2.266 337 E HA 0.233 4.572 4.350 -0.019 0.000 0.277 337 E C -0.676 175.898 176.600 -0.042 0.000 1.018 337 E CA -0.776 55.605 56.400 -0.033 0.000 0.840 337 E CB 1.131 30.813 29.700 -0.030 0.000 1.082 337 E HN 0.594 nan 8.360 nan 0.000 0.395 338 I N 4.735 125.254 120.570 -0.085 0.000 2.313 338 I HA 0.210 4.369 4.170 -0.019 0.000 0.286 338 I C 0.035 176.090 176.117 -0.103 0.000 1.091 338 I CA -0.702 60.545 61.300 -0.088 0.000 1.216 338 I CB 0.455 38.369 38.000 -0.145 0.000 1.434 338 I HN 0.300 nan 8.210 nan 0.000 0.487 339 R N 5.802 126.259 120.500 -0.073 0.000 2.502 339 R HA 0.012 4.341 4.340 -0.019 0.000 0.292 339 R C 0.483 176.705 176.300 -0.129 0.000 0.998 339 R CA 0.488 56.532 56.100 -0.093 0.000 1.056 339 R CB -0.245 30.006 30.300 -0.081 0.000 0.939 339 R HN 0.549 nan 8.270 nan 0.000 0.411 340 N N 2.088 120.689 118.700 -0.166 0.000 2.727 340 N HA -0.179 4.549 4.740 -0.019 0.000 0.249 340 N C 0.567 176.062 175.510 -0.024 0.000 1.048 340 N CA 1.292 54.200 53.050 -0.238 0.000 0.714 340 N CB -1.312 36.751 38.487 -0.707 0.000 0.959 340 N HN 0.832 nan 8.380 nan 0.000 0.544 341 G N -1.015 107.770 108.800 -0.026 0.000 2.712 341 G HA2 0.246 4.195 3.960 -0.019 0.000 0.212 341 G HA3 0.246 4.195 3.960 -0.019 0.000 0.212 341 G C 0.515 175.480 174.900 0.109 0.000 1.142 341 G CA 0.234 45.339 45.100 0.008 0.000 0.789 341 G HN 0.452 nan 8.290 nan 0.000 0.535 342 I N 0.241 120.886 120.570 0.126 0.000 2.499 342 I HA 0.304 4.462 4.170 -0.019 0.000 0.288 342 I C -0.870 175.381 176.117 0.224 0.000 1.048 342 I CA -0.884 60.520 61.300 0.174 0.000 1.062 342 I CB 2.475 40.517 38.000 0.069 0.000 1.238 342 I HN -0.207 nan 8.210 nan 0.000 0.426 343 c N 6.927 125.631 118.600 0.174 0.000 2.355 343 c HA 0.682 5.241 4.570 -0.019 0.000 0.332 343 c C 0.049 174.156 174.090 0.027 0.000 1.255 343 c CA -0.478 55.874 56.329 0.038 0.000 1.792 343 c CB 0.741 43.281 42.510 0.051 0.000 2.300 343 c HN 0.660 nan 8.230 nan 0.000 0.515 344 M N 5.799 125.376 119.600 -0.037 0.000 2.263 344 M HA 0.522 4.991 4.480 -0.019 0.000 0.295 344 M C -0.595 175.690 176.300 -0.025 0.000 1.028 344 M CA -0.134 55.089 55.300 -0.128 0.000 0.921 344 M CB 1.824 34.287 32.600 -0.229 0.000 1.601 344 M HN 0.946 nan 8.290 nan 0.000 0.440 345 H N 0.879 119.730 119.070 -0.365 0.000 2.950 345 H HA 0.465 5.010 4.556 -0.018 0.000 0.307 345 H C -2.087 173.095 175.328 -0.244 0.000 1.403 345 H CA -1.094 54.882 56.048 -0.121 0.000 1.145 345 H CB 0.959 30.718 29.762 -0.004 0.000 1.844 345 H HN 0.729 nan 8.280 nan 0.000 0.515 346 E N 0.914 121.115 120.200 0.002 0.000 2.195 346 E HA 0.510 4.849 4.350 -0.019 0.000 0.271 346 E C -0.936 175.683 176.600 0.030 0.000 0.923 346 E CA -0.973 55.343 56.400 -0.140 0.000 0.790 346 E CB 2.709 32.522 29.700 0.188 0.000 1.155 346 E HN 0.691 nan 8.360 nan 0.000 0.402 347 E N 1.978 122.166 120.200 -0.020 0.000 2.317 347 E HA 0.274 4.613 4.350 -0.019 0.000 0.270 347 E C -1.309 175.421 176.600 0.217 0.000 0.885 347 E CA -1.030 55.447 56.400 0.128 0.000 0.760 347 E CB 1.654 31.432 29.700 0.130 0.000 1.227 347 E HN 0.525 nan 8.360 nan 0.000 0.434 348 D N 1.690 122.229 120.400 0.231 0.000 2.443 348 D HA -0.074 4.554 4.640 -0.019 0.000 0.239 348 D C -0.987 175.531 176.300 0.363 0.000 1.136 348 D CA 0.210 54.356 54.000 0.243 0.000 0.879 348 D CB 0.537 41.426 40.800 0.149 0.000 1.195 348 D HN 0.525 nan 8.370 nan 0.000 0.443 349 W N 5.823 127.169 121.300 0.076 0.000 1.380 349 W HA 0.369 5.017 4.660 -0.019 0.000 0.298 349 W C 0.311 176.859 176.519 0.049 0.000 0.837 349 W CA 0.078 57.463 57.345 0.068 0.000 2.343 349 W CB 0.083 29.631 29.460 0.147 0.000 2.070 349 W HN 0.841 nan 8.180 nan 0.000 0.500 350 G N 1.986 110.720 108.800 -0.109 0.000 2.550 350 G HA2 -0.328 3.620 3.960 -0.019 0.000 0.277 350 G HA3 -0.328 3.620 3.960 -0.019 0.000 0.277 350 G C -0.475 174.402 174.900 -0.039 0.000 1.190 350 G CA 0.190 45.202 45.100 -0.146 0.000 0.971 350 G HN 0.092 nan 8.290 nan 0.000 0.559 351 I N 1.503 122.041 120.570 -0.052 0.000 2.353 351 I HA 0.361 4.520 4.170 -0.019 0.000 0.293 351 I C 1.402 177.539 176.117 0.033 0.000 0.992 351 I CA -0.291 61.004 61.300 -0.009 0.000 1.268 351 I CB 1.019 39.004 38.000 -0.025 0.000 1.387 351 I HN 0.621 nan 8.210 nan 0.000 0.478 352 L N 6.428 127.686 121.223 0.059 0.000 2.189 352 L HA 0.463 4.792 4.340 -0.019 0.000 0.199 352 L C 0.629 177.549 176.870 0.083 0.000 1.074 352 L CA 1.103 55.996 54.840 0.089 0.000 0.783 352 L CB 0.118 42.237 42.059 0.100 0.000 0.955 352 L HN 0.688 nan 8.230 nan 0.000 0.460 353 A N -0.399 122.481 122.820 0.100 0.000 2.520 353 A HA 0.663 4.972 4.320 -0.019 0.000 0.298 353 A C -1.054 176.649 177.584 0.200 0.000 1.051 353 A CA -0.584 51.551 52.037 0.164 0.000 0.690 353 A CB 1.179 20.337 19.000 0.264 0.000 1.281 353 A HN 0.086 nan 8.150 nan 0.000 0.402 354 K N 1.075 121.594 120.400 0.199 0.000 2.550 354 K HA 0.575 4.884 4.320 -0.019 0.000 0.252 354 K C -2.130 174.609 176.600 0.233 0.000 0.943 354 K CA -0.505 55.903 56.287 0.201 0.000 0.806 354 K CB 1.681 34.232 32.500 0.084 0.000 1.289 354 K HN 1.017 nan 8.250 nan 0.000 0.435 355 H N 0.461 119.605 119.070 0.122 0.000 3.099 355 H HA 0.346 4.890 4.556 -0.019 0.000 0.342 355 H C -1.852 173.496 175.328 0.035 0.000 1.054 355 H CA -0.346 55.725 56.048 0.038 0.000 1.328 355 H CB 1.782 31.534 29.762 -0.015 0.000 1.876 355 H HN 0.410 nan 8.280 nan 0.000 0.495 356 S N 4.246 119.573 115.700 -0.622 0.000 2.474 356 S HA 0.138 4.597 4.470 -0.019 0.000 0.320 356 S C -0.682 173.491 174.600 -0.711 0.000 1.067 356 S CA -0.640 57.292 58.200 -0.448 0.000 1.127 356 S CB 0.259 63.311 63.200 -0.246 0.000 0.971 356 S HN 0.663 nan 8.310 nan 0.000 0.472 357 D N 2.200 122.287 120.400 -0.523 0.000 2.295 357 D HA 0.271 4.900 4.640 -0.019 0.000 0.248 357 D C 0.976 177.182 176.300 -0.158 0.000 1.154 357 D CA -0.533 53.299 54.000 -0.281 0.000 0.857 357 D CB 0.808 41.639 40.800 0.052 0.000 1.117 357 D HN 0.257 nan 8.370 nan 0.000 0.468 358 L N 5.541 126.629 121.223 -0.225 0.000 1.988 358 L HA -0.036 4.293 4.340 -0.019 0.000 0.207 358 L C 1.502 178.385 176.870 0.021 0.000 1.071 358 L CA 1.526 56.273 54.840 -0.156 0.000 0.744 358 L CB -0.474 41.417 42.059 -0.279 0.000 0.893 358 L HN 0.611 nan 8.230 nan 0.000 0.433 359 W N -0.072 121.238 121.300 0.016 0.000 2.325 359 W HA -0.188 4.467 4.660 -0.007 0.000 0.299 359 W C 2.929 179.456 176.519 0.012 0.000 1.215 359 W CA 1.655 59.009 57.345 0.015 0.000 1.244 359 W CB -1.794 27.678 29.460 0.020 0.000 1.140 359 W HN 0.582 nan 8.180 nan 0.000 0.523 360 S N -1.522 114.313 115.700 0.226 0.000 2.503 360 S HA 0.349 4.807 4.470 -0.019 0.000 0.215 360 S C 1.735 176.386 174.600 0.085 0.000 1.003 360 S CA 0.743 59.026 58.200 0.139 0.000 0.910 360 S CB 0.159 63.432 63.200 0.122 0.000 0.790 360 S HN 0.421 nan 8.310 nan 0.000 0.514 361 G N 1.296 110.132 108.800 0.061 0.000 2.162 361 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.260 361 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.260 361 G C -0.007 174.903 174.900 0.017 0.000 0.976 361 G CA 0.421 45.538 45.100 0.028 0.000 0.655 361 G HN 0.610 nan 8.290 nan 0.000 0.533 362 I N 1.190 121.776 120.570 0.027 0.000 2.365 362 I HA 0.302 4.461 4.170 -0.019 0.000 0.291 362 I C -0.361 175.768 176.117 0.019 0.000 1.004 362 I CA -0.812 60.511 61.300 0.038 0.000 1.311 362 I CB 1.084 39.123 38.000 0.065 0.000 1.401 362 I HN -0.022 nan 8.210 nan 0.000 0.491 363 N N 6.229 124.948 118.700 0.032 0.000 2.392 363 N HA 0.297 5.026 4.740 -0.019 0.000 0.283 363 N C -1.378 174.204 175.510 0.119 0.000 1.003 363 N CA -0.473 52.592 53.050 0.024 0.000 0.892 363 N CB 2.176 40.656 38.487 -0.012 0.000 1.193 363 N HN 0.480 nan 8.380 nan 0.000 0.487 364 Y N 1.090 121.381 120.300 -0.015 0.000 2.376 364 Y HA 0.449 4.990 4.550 -0.016 0.000 0.340 364 Y C -0.945 174.960 175.900 0.009 0.000 0.965 364 Y CA -0.274 57.832 58.100 0.010 0.000 1.078 364 Y CB 1.561 40.044 38.460 0.039 0.000 1.193 364 Y HN 0.329 nan 8.280 nan 0.000 0.452 365 T N 6.915 121.313 114.554 -0.261 0.000 2.971 365 T HA 0.577 4.916 4.350 -0.019 0.000 0.304 365 T C -1.292 173.187 174.700 -0.368 0.000 1.038 365 T CA -0.984 60.995 62.100 -0.203 0.000 1.007 365 T CB 1.144 69.953 68.868 -0.099 0.000 1.055 365 T HN 0.395 nan 8.240 nan 0.000 0.451 366 R N 1.863 122.215 120.500 -0.246 0.000 2.628 366 R HA 0.522 4.851 4.340 -0.019 0.000 0.288 366 R C -0.419 175.849 176.300 -0.054 0.000 0.980 366 R CA -0.830 55.156 56.100 -0.191 0.000 0.891 366 R CB 2.124 32.314 30.300 -0.184 0.000 1.188 366 R HN 0.558 nan 8.270 nan 0.000 0.450 367 R N 1.191 121.677 120.500 -0.024 0.000 2.500 367 R HA 0.334 4.663 4.340 -0.019 0.000 0.277 367 R C 0.199 176.555 176.300 0.093 0.000 1.026 367 R CA -0.803 55.316 56.100 0.031 0.000 1.058 367 R CB 0.938 31.257 30.300 0.032 0.000 1.078 367 R HN 0.375 nan 8.270 nan 0.000 0.509 368 N N 0.909 119.702 118.700 0.154 0.000 2.477 368 N HA 0.370 5.099 4.740 -0.019 0.000 0.284 368 N C -0.978 174.735 175.510 0.339 0.000 1.182 368 N CA -0.346 52.862 53.050 0.264 0.000 0.949 368 N CB 1.094 39.788 38.487 0.345 0.000 1.204 368 N HN 0.402 nan 8.380 nan 0.000 0.526 369 R N 0.463 121.216 120.500 0.421 0.000 2.739 369 R HA 0.506 4.834 4.340 -0.019 0.000 0.271 369 R C -0.780 175.813 176.300 0.490 0.000 1.010 369 R CA -0.815 55.558 56.100 0.456 0.000 0.897 369 R CB 2.312 32.903 30.300 0.484 0.000 1.236 369 R HN 0.754 nan 8.270 nan 0.000 0.466 370 R N 0.497 121.098 120.500 0.168 0.000 2.725 370 R HA 0.563 4.891 4.340 -0.019 0.000 0.277 370 R C -1.054 174.810 176.300 -0.726 0.000 0.987 370 R CA -1.009 54.879 56.100 -0.354 0.000 0.901 370 R CB 1.665 31.363 30.300 -1.003 0.000 1.207 370 R HN 0.436 nan 8.270 nan 0.000 0.463 371 M N 2.898 121.731 119.600 -1.278 0.000 2.144 371 M HA 0.333 4.802 4.480 -0.019 0.000 0.356 371 M C -1.522 174.277 176.300 -0.836 0.000 1.217 371 M CA -0.541 53.923 55.300 -1.393 0.000 1.087 371 M CB 1.656 33.171 32.600 -1.807 0.000 1.609 371 M HN 0.531 nan 8.290 nan 0.000 0.467 372 V N 6.998 126.469 119.914 -0.739 0.000 2.513 372 V HA 0.592 4.701 4.120 -0.019 0.000 0.299 372 V C -0.453 175.410 176.094 -0.384 0.000 1.035 372 V CA -0.594 61.428 62.300 -0.462 0.000 0.889 372 V CB 1.751 33.299 31.823 -0.458 0.000 0.988 372 V HN 0.797 nan 8.190 nan 0.000 0.440 373 I N 4.280 124.716 120.570 -0.224 0.000 2.497 373 I HA 0.560 4.719 4.170 -0.019 0.000 0.284 373 I C -0.195 175.928 176.117 0.009 0.000 1.060 373 I CA 0.046 61.285 61.300 -0.102 0.000 1.071 373 I CB 1.886 39.819 38.000 -0.111 0.000 1.216 373 I HN 0.786 nan 8.210 nan 0.000 0.442 374 S N 5.514 121.230 115.700 0.027 0.000 2.651 374 S HA 0.899 5.358 4.470 -0.019 0.000 0.279 374 S C -0.923 173.766 174.600 0.148 0.000 1.148 374 S CA -0.726 57.425 58.200 -0.082 0.000 0.837 374 S CB 2.688 65.562 63.200 -0.543 0.000 1.138 374 S HN 0.529 nan 8.310 nan 0.000 0.478 375 F N -1.362 118.548 119.950 -0.066 0.000 2.678 375 F HA 0.841 5.357 4.527 -0.019 0.000 0.308 375 F C -2.144 173.754 175.800 0.163 0.000 1.118 375 F CA -1.535 56.531 58.000 0.110 0.000 0.959 375 F CB 0.724 39.834 39.000 0.183 0.000 1.305 375 F HN 0.620 nan 8.300 nan 0.000 0.443 376 F N 1.172 121.164 119.950 0.069 0.000 2.522 376 F HA 0.741 5.257 4.527 -0.019 0.000 0.324 376 F C 0.063 176.014 175.800 0.252 0.000 1.077 376 F CA -0.378 57.649 58.000 0.045 0.000 0.944 376 F CB 2.296 41.350 39.000 0.090 0.000 1.175 376 F HN 0.859 nan 8.300 nan 0.000 0.468 377 T N 1.659 116.442 114.554 0.383 0.000 2.906 377 T HA 0.629 4.968 4.350 -0.019 0.000 0.295 377 T C -1.272 173.682 174.700 0.424 0.000 1.075 377 T CA -0.383 62.002 62.100 0.476 0.000 1.005 377 T CB 1.405 70.588 68.868 0.525 0.000 1.136 377 T HN 0.571 nan 8.240 nan 0.000 0.498 378 T N 4.016 118.797 114.554 0.378 0.000 2.841 378 T HA 0.546 4.884 4.350 -0.019 0.000 0.285 378 T C -0.764 174.010 174.700 0.124 0.000 0.991 378 T CA -0.571 61.668 62.100 0.232 0.000 0.966 378 T CB 0.708 69.687 68.868 0.185 0.000 0.962 378 T HN 0.406 nan 8.240 nan 0.000 0.438 379 I N 3.802 124.401 120.570 0.048 0.000 2.697 379 I HA 0.423 4.582 4.170 -0.019 0.000 0.279 379 I C 1.234 177.278 176.117 -0.123 0.000 1.171 379 I CA 0.121 61.357 61.300 -0.108 0.000 1.135 379 I CB -0.393 37.578 38.000 -0.048 0.000 1.445 379 I HN 1.014 nan 8.210 nan 0.000 0.541 380 G N 5.971 114.703 108.800 -0.114 0.000 2.609 380 G HA2 -0.359 3.590 3.960 -0.019 0.000 0.288 380 G HA3 -0.359 3.590 3.960 -0.019 0.000 0.288 380 G C 0.919 175.759 174.900 -0.099 0.000 1.211 380 G CA 0.497 45.597 45.100 -0.000 0.000 0.963 380 G HN 0.512 nan 8.290 nan 0.000 0.541 381 N N 0.262 118.675 118.700 -0.479 0.000 2.416 381 N HA 0.063 4.792 4.740 -0.019 0.000 0.177 381 N C 0.479 175.605 175.510 -0.639 0.000 1.036 381 N CA 1.111 53.508 53.050 -1.089 0.000 0.901 381 N CB 0.064 37.342 38.487 -2.016 0.000 0.976 381 N HN 0.497 nan 8.380 nan 0.000 0.444 382 Y N 1.306 121.357 120.300 -0.415 0.000 2.387 382 Y HA 0.424 4.962 4.550 -0.018 0.000 0.330 382 Y C -0.496 175.151 175.900 -0.421 0.000 1.133 382 Y CA -1.551 56.277 58.100 -0.454 0.000 1.152 382 Y CB 1.185 39.321 38.460 -0.539 0.000 1.215 382 Y HN -0.057 nan 8.280 nan 0.000 0.466 383 D N 1.113 121.329 120.400 -0.307 0.000 2.780 383 D HA 0.451 5.079 4.640 -0.019 0.000 0.242 383 D C -1.627 174.419 176.300 -0.424 0.000 1.135 383 D CA -0.368 53.561 54.000 -0.119 0.000 0.859 383 D CB 1.488 42.414 40.800 0.211 0.000 1.530 383 D HN 0.238 nan 8.370 nan 0.000 0.493 384 Y N -0.048 120.198 120.300 -0.090 0.000 2.477 384 Y HA 0.679 5.218 4.550 -0.019 0.000 0.347 384 Y C 0.565 175.791 175.900 -1.124 0.000 0.981 384 Y CA -1.264 56.562 58.100 -0.457 0.000 1.033 384 Y CB 2.510 40.878 38.460 -0.154 0.000 1.245 384 Y HN 0.448 nan 8.280 nan 0.000 0.455 385 G N 1.850 109.939 108.800 -1.184 0.000 2.415 385 G HA2 0.627 4.576 3.960 -0.019 0.000 0.327 385 G HA3 0.627 4.576 3.960 -0.019 0.000 0.327 385 G C -1.835 172.658 174.900 -0.677 0.000 1.182 385 G CA -0.469 43.936 45.100 -1.157 0.000 0.924 385 G HN 0.309 nan 8.290 nan 0.000 0.470 386 F N 1.275 120.647 119.950 -0.964 0.000 2.426 386 F HA 0.536 5.052 4.527 -0.019 0.000 0.348 386 F C -0.711 174.590 175.800 -0.832 0.000 1.124 386 F CA -0.936 56.694 58.000 -0.617 0.000 1.008 386 F CB 1.928 40.717 39.000 -0.351 0.000 1.139 386 F HN 0.310 nan 8.300 nan 0.000 0.452 387 Y N 1.199 121.072 120.300 -0.711 0.000 2.391 387 Y HA 0.471 5.009 4.550 -0.019 0.000 0.341 387 Y C -1.135 174.019 175.900 -1.243 0.000 0.965 387 Y CA -1.517 56.088 58.100 -0.826 0.000 1.067 387 Y CB 1.548 39.448 38.460 -0.934 0.000 1.199 387 Y HN 0.528 nan 8.280 nan 0.000 0.450 388 W N 3.030 123.958 121.300 -0.621 0.000 2.632 388 W HA 0.652 5.300 4.660 -0.019 0.000 0.328 388 W C -1.490 174.550 176.519 -0.797 0.000 1.044 388 W CA -0.764 56.259 57.345 -0.538 0.000 1.225 388 W CB 1.320 30.633 29.460 -0.244 0.000 1.396 388 W HN 0.318 nan 8.180 nan 0.000 0.499 389 Y N 2.610 122.781 120.300 -0.214 0.000 2.477 389 Y HA 0.661 5.200 4.550 -0.019 0.000 0.347 389 Y C -0.385 175.165 175.900 -0.584 0.000 0.981 389 Y CA -1.510 56.264 58.100 -0.543 0.000 1.033 389 Y CB 1.339 39.337 38.460 -0.770 0.000 1.245 389 Y HN 0.055 nan 8.280 nan 0.000 0.455 390 L N 3.897 124.745 121.223 -0.625 0.000 2.349 390 L HA 0.523 4.852 4.340 -0.019 0.000 0.278 390 L C -1.325 175.354 176.870 -0.318 0.000 0.996 390 L CA -0.838 53.607 54.840 -0.658 0.000 0.825 390 L CB 1.368 42.734 42.059 -1.154 0.000 1.243 390 L HN 0.617 nan 8.230 nan 0.000 0.412 391 Y N 2.066 122.550 120.300 0.306 0.000 2.457 391 Y HA 0.309 4.848 4.550 -0.018 0.000 0.333 391 Y C 1.189 177.575 175.900 0.809 0.000 1.119 391 Y CA -0.792 57.602 58.100 0.491 0.000 1.143 391 Y CB 1.447 40.063 38.460 0.261 0.000 1.230 391 Y HN 0.438 nan 8.280 nan 0.000 0.469 392 L N 0.863 122.531 121.223 0.741 0.000 2.129 392 L HA -0.227 4.101 4.340 -0.019 0.000 0.212 392 L C 1.776 178.877 176.870 0.385 0.000 1.087 392 L CA 1.771 56.874 54.840 0.439 0.000 0.757 392 L CB -0.266 41.922 42.059 0.216 0.000 0.896 392 L HN 0.773 nan 8.230 nan 0.000 0.434 393 D N -0.462 120.154 120.400 0.359 0.000 2.349 393 D HA -0.014 4.615 4.640 -0.019 0.000 0.224 393 D C 1.393 177.770 176.300 0.128 0.000 1.029 393 D CA 0.882 54.977 54.000 0.157 0.000 0.879 393 D CB 0.455 41.320 40.800 0.107 0.000 0.906 393 D HN 0.343 nan 8.370 nan 0.000 0.528 394 G N -0.219 108.823 108.800 0.403 0.000 2.176 394 G HA2 -0.229 3.720 3.960 -0.019 0.000 0.232 394 G HA3 -0.229 3.720 3.960 -0.019 0.000 0.232 394 G C 0.335 175.671 174.900 0.727 0.000 0.986 394 G CA 0.225 45.581 45.100 0.426 0.000 0.643 394 G HN 0.439 nan 8.290 nan 0.000 0.522 395 T N 1.136 116.077 114.554 0.644 0.000 2.897 395 T HA 0.625 4.963 4.350 -0.019 0.000 0.294 395 T C 0.391 175.451 174.700 0.599 0.000 1.004 395 T CA 0.279 62.699 62.100 0.533 0.000 1.106 395 T CB 1.475 70.499 68.868 0.259 0.000 0.949 395 T HN 0.333 nan 8.240 nan 0.000 0.520 396 I N 2.505 123.345 120.570 0.451 0.000 2.436 396 I HA 0.486 4.644 4.170 -0.019 0.000 0.289 396 I C 0.072 176.314 176.117 0.208 0.000 1.010 396 I CA -0.621 60.841 61.300 0.271 0.000 1.098 396 I CB 1.912 40.037 38.000 0.208 0.000 1.266 396 I HN 0.591 nan 8.210 nan 0.000 0.434 397 E N 5.477 125.752 120.200 0.126 0.000 2.367 397 E HA 0.539 4.878 4.350 -0.019 0.000 0.273 397 E C -1.994 174.410 176.600 -0.327 0.000 0.903 397 E CA -0.665 55.697 56.400 -0.064 0.000 0.764 397 E CB 2.785 32.594 29.700 0.182 0.000 1.252 397 E HN 0.405 nan 8.360 nan 0.000 0.446 398 F N 1.928 121.322 119.950 -0.926 0.000 2.551 398 F HA 0.498 5.013 4.527 -0.019 0.000 0.316 398 F C -1.304 174.011 175.800 -0.808 0.000 1.089 398 F CA -0.575 56.701 58.000 -1.207 0.000 0.915 398 F CB 1.885 39.865 39.000 -1.700 0.000 1.186 398 F HN 0.491 nan 8.300 nan 0.000 0.456 399 E N 4.188 123.219 120.200 -1.948 0.000 2.260 399 E HA 0.673 5.012 4.350 -0.019 0.000 0.266 399 E C -1.846 173.946 176.600 -1.346 0.000 0.887 399 E CA -0.925 54.753 56.400 -1.204 0.000 0.777 399 E CB 1.668 31.078 29.700 -0.483 0.000 1.205 399 E HN 0.869 nan 8.360 nan 0.000 0.414 400 A N 4.726 126.971 122.820 -0.958 0.000 2.290 400 A HA 0.476 4.785 4.320 -0.019 0.000 0.310 400 A C -0.633 176.696 177.584 -0.425 0.000 1.202 400 A CA -0.609 50.958 52.037 -0.783 0.000 0.837 400 A CB 0.613 18.998 19.000 -1.024 0.000 1.139 400 A HN 0.561 nan 8.150 nan 0.000 0.509 401 K N 2.090 122.304 120.400 -0.310 0.000 2.367 401 K HA 0.517 4.826 4.320 -0.019 0.000 0.263 401 K C -0.497 176.034 176.600 -0.115 0.000 1.000 401 K CA -0.242 55.954 56.287 -0.152 0.000 0.891 401 K CB 1.934 34.424 32.500 -0.017 0.000 1.117 401 K HN 0.725 nan 8.250 nan 0.000 0.443 402 A N 2.718 125.493 122.820 -0.075 0.000 2.276 402 A HA 0.442 4.751 4.320 -0.019 0.000 0.300 402 A C 0.046 177.530 177.584 -0.167 0.000 1.235 402 A CA -0.056 51.906 52.037 -0.126 0.000 0.867 402 A CB 0.902 19.832 19.000 -0.116 0.000 1.137 402 A HN 0.667 nan 8.150 nan 0.000 0.527 403 T N 0.993 115.422 114.554 -0.207 0.000 2.618 403 T HA 0.807 5.146 4.350 -0.019 0.000 0.293 403 T C 0.268 174.933 174.700 -0.059 0.000 1.093 403 T CA 1.000 63.052 62.100 -0.080 0.000 1.061 403 T CB 0.876 69.769 68.868 0.041 0.000 1.498 403 T HN 2.609 nan 8.240 nan 0.000 0.494 404 G N -0.150 108.637 108.800 -0.023 0.000 2.416 404 G HA2 0.058 4.007 3.960 -0.019 0.000 0.203 404 G HA3 0.058 4.007 3.960 -0.019 0.000 0.203 404 G C -1.246 173.604 174.900 -0.082 0.000 1.227 404 G CA -0.237 44.840 45.100 -0.039 0.000 1.041 404 G HN 1.281 nan 8.290 nan 0.000 0.546 405 V N 1.083 120.852 119.914 -0.241 0.000 2.483 405 V HA 0.638 4.747 4.120 -0.019 0.000 0.295 405 V C 1.158 176.989 176.094 -0.439 0.000 1.035 405 V CA -0.108 62.008 62.300 -0.307 0.000 0.896 405 V CB 1.192 32.730 31.823 -0.474 0.000 0.986 405 V HN 1.606 nan 8.190 nan 0.000 0.447 406 V N 1.800 121.665 119.914 -0.082 0.000 2.881 406 V HA 0.445 4.554 4.120 -0.019 0.000 0.303 406 V C -0.197 175.785 176.094 -0.188 0.000 1.070 406 V CA -0.480 61.773 62.300 -0.078 0.000 1.074 406 V CB 0.564 32.557 31.823 0.283 0.000 1.012 406 V HN 0.609 nan 8.190 nan 0.000 0.482 407 F N 4.051 123.815 119.950 -0.310 0.000 2.467 407 F HA 0.520 5.036 4.527 -0.019 0.000 0.362 407 F C 0.966 176.818 175.800 0.086 0.000 1.090 407 F CA 0.355 58.270 58.000 -0.141 0.000 1.202 407 F CB 0.779 39.685 39.000 -0.157 0.000 1.113 407 F HN 0.988 nan 8.300 nan 0.000 0.541 408 T N 1.637 116.094 114.554 -0.163 0.000 2.937 408 T HA 0.839 5.178 4.350 -0.019 0.000 0.283 408 T C -0.182 174.539 174.700 0.036 0.000 1.012 408 T CA -0.249 61.851 62.100 0.000 0.000 0.997 408 T CB 1.595 70.443 68.868 -0.034 0.000 1.136 408 T HN 0.714 nan 8.240 nan 0.000 0.551 409 S N -0.719 114.987 115.700 0.010 0.000 2.727 409 S HA 0.772 5.231 4.470 -0.019 0.000 0.278 409 S C -0.703 173.851 174.600 -0.076 0.000 1.186 409 S CA -0.795 57.374 58.200 -0.051 0.000 0.836 409 S CB 0.757 63.941 63.200 -0.027 0.000 1.186 409 S HN 1.402 nan 8.310 nan 0.000 0.499 410 A N 0.438 123.164 122.820 -0.156 0.000 2.302 410 A HA 0.708 5.017 4.320 -0.019 0.000 0.285 410 A C -0.822 176.780 177.584 0.029 0.000 1.105 410 A CA -0.436 51.562 52.037 -0.064 0.000 0.816 410 A CB -0.087 18.843 19.000 -0.117 0.000 1.067 410 A HN 0.966 nan 8.150 nan 0.000 0.489 411 F N 4.055 123.989 119.950 -0.028 0.000 2.391 411 F HA 0.470 4.986 4.527 -0.019 0.000 0.359 411 F C -1.846 173.988 175.800 0.056 0.000 1.122 411 F CA -2.770 55.224 58.000 -0.011 0.000 1.120 411 F CB 1.057 40.044 39.000 -0.021 0.000 1.142 411 F HN 0.345 nan 8.300 nan 0.000 0.483 412 P HA -0.038 nan 4.420 nan 0.000 0.267 412 P C -0.616 176.458 177.300 -0.376 0.000 1.205 412 P CA 0.005 62.924 63.100 -0.301 0.000 0.765 412 P CB 0.581 32.129 31.700 -0.253 0.000 0.828 413 E N 1.942 122.070 120.200 -0.119 0.000 2.417 413 E HA 0.222 4.561 4.350 -0.019 0.000 0.261 413 E C 1.017 177.562 176.600 -0.092 0.000 1.000 413 E CA 0.633 56.997 56.400 -0.060 0.000 0.919 413 E CB -0.445 29.238 29.700 -0.028 0.000 0.955 413 E HN 0.799 nan 8.360 nan 0.000 0.455 414 G N 2.953 111.720 108.800 -0.055 0.000 2.134 414 G HA2 -0.153 3.796 3.960 -0.019 0.000 0.209 414 G HA3 -0.153 3.796 3.960 -0.019 0.000 0.209 414 G C 0.581 175.430 174.900 -0.084 0.000 0.993 414 G CA -0.116 44.956 45.100 -0.046 0.000 0.669 414 G HN 1.290 nan 8.290 nan 0.000 0.519 415 G N -1.196 107.500 108.800 -0.173 0.000 2.801 415 G HA2 0.306 4.255 3.960 -0.019 0.000 0.244 415 G HA3 0.306 4.255 3.960 -0.019 0.000 0.244 415 G C 0.062 174.755 174.900 -0.345 0.000 1.385 415 G CA 0.965 45.921 45.100 -0.240 0.000 0.894 415 G HN 2.213 nan 8.290 nan 0.000 0.562 416 S N -1.457 114.158 115.700 -0.142 0.000 2.537 416 S HA 0.569 5.028 4.470 -0.019 0.000 0.271 416 S C -0.273 174.336 174.600 0.015 0.000 1.148 416 S CA 0.302 58.435 58.200 -0.112 0.000 0.868 416 S CB 1.776 64.843 63.200 -0.221 0.000 1.115 416 S HN 0.577 nan 8.310 nan 0.000 0.461 417 D N 1.985 122.379 120.400 -0.009 0.000 2.328 417 D HA 0.264 4.893 4.640 -0.019 0.000 0.221 417 D C 0.341 176.637 176.300 -0.007 0.000 1.072 417 D CA 0.245 54.286 54.000 0.068 0.000 0.850 417 D CB 0.143 40.988 40.800 0.075 0.000 0.922 417 D HN 0.511 nan 8.370 nan 0.000 0.516 418 N N -0.102 118.393 118.700 -0.342 0.000 2.116 418 N HA 0.170 4.899 4.740 -0.019 0.000 0.230 418 N C -0.166 174.566 175.510 -1.297 0.000 1.326 418 N CA 0.029 52.635 53.050 -0.739 0.000 0.867 418 N CB 2.102 40.438 38.487 -0.251 0.000 1.174 418 N HN 0.106 nan 8.380 nan 0.000 0.506 419 I N 0.809 120.818 120.570 -0.935 0.000 2.722 419 I HA 0.264 4.423 4.170 -0.019 0.000 0.295 419 I C -0.624 175.542 176.117 0.080 0.000 1.161 419 I CA -0.568 60.493 61.300 -0.397 0.000 1.032 419 I CB 2.330 40.298 38.000 -0.052 0.000 1.244 419 I HN -0.200 nan 8.210 nan 0.000 0.421 420 S N 3.595 119.460 115.700 0.274 0.000 2.593 420 S HA 0.442 4.901 4.470 -0.019 0.000 0.297 420 S C -0.646 173.894 174.600 -0.100 0.000 1.112 420 S CA -0.748 57.601 58.200 0.248 0.000 1.043 420 S CB 1.929 65.319 63.200 0.318 0.000 1.054 420 S HN 0.618 nan 8.310 nan 0.000 0.516 421 Q N 1.073 120.533 119.800 -0.568 0.000 2.274 421 Q HA 0.439 4.768 4.340 -0.019 0.000 0.256 421 Q C -0.290 175.495 176.000 -0.358 0.000 0.927 421 Q CA -0.375 54.942 55.803 -0.810 0.000 0.939 421 Q CB 0.501 28.434 28.738 -1.341 0.000 1.201 421 Q HN 0.766 nan 8.270 nan 0.000 0.426 422 L N 2.318 123.357 121.223 -0.306 0.000 2.537 422 L HA 0.532 4.861 4.340 -0.019 0.000 0.224 422 L C 0.392 177.117 176.870 -0.242 0.000 1.065 422 L CA 0.147 54.844 54.840 -0.238 0.000 0.860 422 L CB 0.572 42.422 42.059 -0.348 0.000 1.086 422 L HN 0.634 nan 8.230 nan 0.000 0.482 423 A N -0.493 122.148 122.820 -0.299 0.000 2.568 423 A HA 0.681 4.990 4.320 -0.019 0.000 0.291 423 A C -2.722 174.783 177.584 -0.132 0.000 1.159 423 A CA -1.048 50.884 52.037 -0.175 0.000 0.679 423 A CB 0.614 19.484 19.000 -0.216 0.000 1.285 423 A HN -0.209 nan 8.150 nan 0.000 0.428 424 P HA 0.297 nan 4.420 nan 0.000 0.270 424 P C 0.896 178.197 177.300 0.001 0.000 1.242 424 P CA 1.724 64.813 63.100 -0.018 0.000 0.768 424 P CB 0.658 32.364 31.700 0.011 0.000 0.820 425 G N 2.500 111.330 108.800 0.050 0.000 2.253 425 G HA2 -0.278 3.671 3.960 -0.019 0.000 0.251 425 G HA3 -0.278 3.671 3.960 -0.019 0.000 0.251 425 G C -0.220 174.726 174.900 0.078 0.000 0.998 425 G CA 0.042 45.203 45.100 0.102 0.000 0.621 425 G HN 0.588 nan 8.290 nan 0.000 0.524 426 L N 2.259 123.456 121.223 -0.044 0.000 2.265 426 L HA 0.751 5.079 4.340 -0.019 0.000 0.288 426 L C 0.789 177.585 176.870 -0.124 0.000 1.058 426 L CA 0.309 55.058 54.840 -0.152 0.000 0.809 426 L CB 0.943 42.768 42.059 -0.390 0.000 1.179 426 L HN 0.456 nan 8.230 nan 0.000 0.429 427 G N 3.397 112.189 108.800 -0.013 0.000 2.537 427 G HA2 0.792 4.741 3.960 -0.019 0.000 0.323 427 G HA3 0.792 4.741 3.960 -0.019 0.000 0.323 427 G C -1.652 173.263 174.900 0.024 0.000 1.207 427 G CA -0.315 44.842 45.100 0.094 0.000 0.976 427 G HN 0.955 nan 8.290 nan 0.000 0.487 428 A N 1.468 124.347 122.820 0.100 0.000 2.569 428 A HA 0.738 5.047 4.320 -0.019 0.000 0.282 428 A C -2.781 174.946 177.584 0.238 0.000 1.165 428 A CA -1.241 50.892 52.037 0.160 0.000 0.747 428 A CB 1.673 20.757 19.000 0.140 0.000 1.215 428 A HN 0.458 nan 8.150 nan 0.000 0.431 429 P HA 0.252 nan 4.420 nan 0.000 0.269 429 P C -0.468 177.100 177.300 0.446 0.000 1.209 429 P CA 0.145 63.380 63.100 0.225 0.000 0.776 429 P CB 0.339 32.190 31.700 0.251 0.000 0.876 430 F N 2.554 122.599 119.950 0.158 0.000 2.496 430 F HA 0.217 4.733 4.527 -0.018 0.000 0.344 430 F C 1.658 177.406 175.800 -0.088 0.000 1.155 430 F CA 0.505 58.469 58.000 -0.060 0.000 1.302 430 F CB -0.537 38.389 39.000 -0.123 0.000 1.159 430 F HN 0.501 nan 8.300 nan 0.000 0.595 431 H N -0.756 118.173 119.070 -0.236 0.000 2.902 431 H HA 0.508 5.053 4.556 -0.019 0.000 0.297 431 H C -1.694 173.422 175.328 -0.353 0.000 1.406 431 H CA -1.081 54.700 56.048 -0.444 0.000 1.134 431 H CB 1.368 30.512 29.762 -1.031 0.000 1.833 431 H HN 0.578 nan 8.280 nan 0.000 0.527 432 Q N -0.290 119.362 119.800 -0.247 0.000 2.552 432 Q HA 0.784 5.113 4.340 -0.019 0.000 0.289 432 Q C -1.232 174.664 176.000 -0.173 0.000 1.097 432 Q CA -1.267 54.396 55.803 -0.234 0.000 0.812 432 Q CB 3.144 31.761 28.738 -0.203 0.000 1.460 432 Q HN 0.776 nan 8.270 nan 0.000 0.452 433 A N 1.627 124.327 122.820 -0.200 0.000 2.768 433 A HA 0.486 4.795 4.320 -0.019 0.000 0.298 433 A C -1.118 176.239 177.584 -0.378 0.000 1.159 433 A CA -0.410 51.446 52.037 -0.303 0.000 0.783 433 A CB 0.159 19.033 19.000 -0.210 0.000 1.333 433 A HN 0.566 nan 8.150 nan 0.000 0.412 434 I N 2.078 122.369 120.570 -0.464 0.000 2.377 434 I HA 0.583 4.742 4.170 -0.019 0.000 0.293 434 I C -0.680 175.098 176.117 -0.565 0.000 0.987 434 I CA -0.513 60.564 61.300 -0.373 0.000 1.185 434 I CB 1.394 39.250 38.000 -0.241 0.000 1.341 434 I HN 0.499 nan 8.210 nan 0.000 0.455 435 F N 2.727 122.389 119.950 -0.480 0.000 2.557 435 F HA 0.576 5.092 4.527 -0.018 0.000 0.336 435 F C 0.473 176.024 175.800 -0.415 0.000 1.058 435 F CA -0.922 56.741 58.000 -0.563 0.000 0.988 435 F CB 1.731 40.104 39.000 -1.045 0.000 1.275 435 F HN 0.268 nan 8.300 nan 0.000 0.488 436 S N 0.807 116.465 115.700 -0.069 0.000 2.776 436 S HA 0.761 5.220 4.470 -0.019 0.000 0.284 436 S C -1.153 173.501 174.600 0.089 0.000 1.160 436 S CA -0.507 57.690 58.200 -0.006 0.000 1.051 436 S CB 0.458 63.485 63.200 -0.288 0.000 1.037 436 S HN 0.881 nan 8.310 nan 0.000 0.485 437 A N 4.625 127.558 122.820 0.190 0.000 2.274 437 A HA 0.679 4.988 4.320 -0.019 0.000 0.309 437 A C 0.122 177.704 177.584 -0.003 0.000 1.226 437 A CA -0.689 51.429 52.037 0.135 0.000 0.853 437 A CB 0.482 19.551 19.000 0.115 0.000 1.146 437 A HN 0.843 nan 8.150 nan 0.000 0.518 438 R N 3.407 123.835 120.500 -0.118 0.000 2.229 438 R HA 0.547 4.875 4.340 -0.019 0.000 0.332 438 R C -1.609 174.479 176.300 -0.353 0.000 0.989 438 R CA -0.345 55.473 56.100 -0.471 0.000 0.842 438 R CB 0.312 30.194 30.300 -0.698 0.000 1.119 438 R HN 0.714 nan 8.270 nan 0.000 0.456 439 L N 4.372 125.386 121.223 -0.349 0.000 2.318 439 L HA 0.276 4.605 4.340 -0.019 0.000 0.277 439 L C -0.547 176.198 176.870 -0.208 0.000 1.008 439 L CA -0.909 53.811 54.840 -0.199 0.000 0.846 439 L CB 1.597 43.602 42.059 -0.090 0.000 1.220 439 L HN 0.565 nan 8.230 nan 0.000 0.423 440 D N 5.083 125.379 120.400 -0.174 0.000 2.422 440 D HA 0.196 4.825 4.640 -0.019 0.000 0.227 440 D C 0.072 176.348 176.300 -0.041 0.000 1.190 440 D CA -0.329 53.619 54.000 -0.087 0.000 0.905 440 D CB 0.641 41.409 40.800 -0.054 0.000 1.034 440 D HN 0.143 nan 8.370 nan 0.000 0.507 441 M N 2.581 122.171 119.600 -0.016 0.000 2.228 441 M HA 0.335 4.804 4.480 -0.019 0.000 0.351 441 M C 0.323 176.606 176.300 -0.029 0.000 1.233 441 M CA -0.366 54.920 55.300 -0.024 0.000 1.129 441 M CB 0.682 33.285 32.600 0.005 0.000 1.604 441 M HN 0.495 nan 8.290 nan 0.000 0.457 442 A N 4.501 127.231 122.820 -0.150 0.000 3.234 442 A HA 0.395 4.704 4.320 -0.019 0.000 0.247 442 A C -0.194 177.266 177.584 -0.206 0.000 0.938 442 A CA -0.532 51.307 52.037 -0.330 0.000 1.039 442 A CB 0.110 18.743 19.000 -0.612 0.000 1.197 442 A HN 0.639 nan 8.150 nan 0.000 0.498 443 I N 1.646 122.169 120.570 -0.078 0.000 2.705 443 I HA 0.031 4.189 4.170 -0.019 0.000 0.291 443 I C 0.435 176.616 176.117 0.107 0.000 1.146 443 I CA 0.892 62.227 61.300 0.057 0.000 1.383 443 I CB -1.126 36.952 38.000 0.130 0.000 1.454 443 I HN 0.502 nan 8.210 nan 0.000 0.581 444 D N 4.817 125.302 120.400 0.141 0.000 2.870 444 D HA -0.148 4.481 4.640 -0.019 0.000 0.228 444 D C 0.584 176.851 176.300 -0.055 0.000 1.147 444 D CA 1.650 55.670 54.000 0.033 0.000 0.757 444 D CB -0.728 40.053 40.800 -0.031 0.000 1.091 444 D HN 1.108 nan 8.370 nan 0.000 0.429 445 G N -2.295 106.416 108.800 -0.148 0.000 2.353 445 G HA2 -0.049 3.899 3.960 -0.019 0.000 0.615 445 G HA3 -0.049 3.899 3.960 -0.019 0.000 0.615 445 G C 0.209 174.943 174.900 -0.278 0.000 1.280 445 G CA -0.370 44.593 45.100 -0.229 0.000 1.000 445 G HN 0.056 nan 8.290 nan 0.000 0.516 446 F N 0.704 120.648 119.950 -0.010 0.000 2.780 446 F HA 0.222 4.738 4.527 -0.018 0.000 0.299 446 F C 2.241 178.042 175.800 0.002 0.000 1.146 446 F CA 1.130 59.118 58.000 -0.020 0.000 1.428 446 F CB 0.395 39.367 39.000 -0.047 0.000 1.115 446 F HN 0.284 nan 8.300 nan 0.000 0.583 447 T N 2.172 116.815 114.554 0.149 0.000 3.455 447 T HA 0.136 4.475 4.350 -0.019 0.000 0.286 447 T C -0.030 174.722 174.700 0.087 0.000 1.157 447 T CA -0.049 62.116 62.100 0.108 0.000 1.090 447 T CB -0.863 68.050 68.868 0.076 0.000 1.112 447 T HN 0.223 nan 8.240 nan 0.000 0.779 448 N N 1.992 120.752 118.700 0.100 0.000 2.531 448 N HA 0.780 5.509 4.740 -0.019 0.000 0.290 448 N C -0.290 175.274 175.510 0.091 0.000 1.257 448 N CA -1.348 51.755 53.050 0.089 0.000 0.863 448 N CB 1.866 40.406 38.487 0.088 0.000 1.320 448 N HN 0.467 nan 8.380 nan 0.000 0.538 449 R N -1.011 119.543 120.500 0.091 0.000 2.692 449 R HA 0.596 4.925 4.340 -0.019 0.000 0.269 449 R C -2.184 174.177 176.300 0.102 0.000 1.030 449 R CA -0.745 55.410 56.100 0.092 0.000 0.882 449 R CB 0.891 31.239 30.300 0.081 0.000 1.250 449 R HN 0.232 nan 8.270 nan 0.000 0.465 450 V N 0.980 120.961 119.914 0.112 0.000 2.680 450 V HA 0.479 4.588 4.120 -0.019 0.000 0.309 450 V C -0.544 175.637 176.094 0.144 0.000 1.052 450 V CA -0.721 61.661 62.300 0.137 0.000 0.908 450 V CB 1.928 33.838 31.823 0.145 0.000 1.001 450 V HN 0.776 nan 8.190 nan 0.000 0.431 451 E N 1.778 122.074 120.200 0.159 0.000 2.248 451 E HA 0.405 4.743 4.350 -0.019 0.000 0.267 451 E C -1.081 175.616 176.600 0.161 0.000 0.877 451 E CA -0.636 55.845 56.400 0.134 0.000 0.759 451 E CB 2.733 32.481 29.700 0.080 0.000 1.182 451 E HN 0.750 nan 8.360 nan 0.000 0.418 452 E N 2.693 122.976 120.200 0.138 0.000 2.167 452 E HA 0.068 4.407 4.350 -0.019 0.000 0.284 452 E C -0.962 175.575 176.600 -0.105 0.000 1.016 452 E CA -0.252 56.157 56.400 0.015 0.000 0.817 452 E CB 0.900 30.664 29.700 0.107 0.000 1.080 452 E HN 0.374 nan 8.360 nan 0.000 0.397 453 E N 4.284 124.347 120.200 -0.228 0.000 2.133 453 E HA 0.173 4.512 4.350 -0.019 0.000 0.274 453 E C -1.276 175.206 176.600 -0.197 0.000 0.930 453 E CA -0.779 55.524 56.400 -0.161 0.000 0.770 453 E CB 0.936 30.561 29.700 -0.125 0.000 1.104 453 E HN 0.431 nan 8.360 nan 0.000 0.403 454 D N 2.564 122.893 120.400 -0.120 0.000 2.350 454 D HA 0.251 4.880 4.640 -0.019 0.000 0.245 454 D C -0.554 175.712 176.300 -0.056 0.000 1.036 454 D CA -0.537 53.400 54.000 -0.105 0.000 0.848 454 D CB 2.157 42.911 40.800 -0.077 0.000 1.307 454 D HN 0.149 nan 8.370 nan 0.000 0.469 455 V N 1.630 121.509 119.914 -0.058 0.000 2.843 455 V HA 0.186 4.295 4.120 -0.019 0.000 0.305 455 V C 0.138 176.226 176.094 -0.010 0.000 1.065 455 V CA -0.135 62.148 62.300 -0.028 0.000 1.116 455 V CB 1.362 33.134 31.823 -0.085 0.000 0.968 455 V HN 0.271 nan 8.190 nan 0.000 0.487 456 V N 6.114 126.051 119.914 0.038 0.000 2.407 456 V HA 0.439 4.547 4.120 -0.019 0.000 0.291 456 V C 0.127 176.262 176.094 0.069 0.000 1.018 456 V CA -0.803 61.521 62.300 0.040 0.000 0.842 456 V CB 1.599 33.448 31.823 0.044 0.000 0.996 456 V HN 0.794 nan 8.190 nan 0.000 0.426 457 R N 3.721 124.244 120.500 0.037 0.000 2.308 457 R HA 0.492 4.821 4.340 -0.019 0.000 0.305 457 R C -0.426 175.905 176.300 0.051 0.000 1.053 457 R CA -0.399 55.730 56.100 0.048 0.000 0.957 457 R CB 1.254 31.560 30.300 0.011 0.000 1.022 457 R HN 0.679 nan 8.270 nan 0.000 0.461 458 Q N 0.855 120.696 119.800 0.069 0.000 2.226 458 Q HA 0.282 4.611 4.340 -0.019 0.000 0.256 458 Q C -0.436 175.586 176.000 0.036 0.000 0.962 458 Q CA -0.565 55.267 55.803 0.048 0.000 0.887 458 Q CB 2.159 30.926 28.738 0.048 0.000 1.282 458 Q HN 0.462 nan 8.270 nan 0.000 0.449 459 T N 1.616 116.185 114.554 0.025 0.000 2.909 459 T HA 0.293 4.632 4.350 -0.019 0.000 0.286 459 T C -0.039 174.671 174.700 0.017 0.000 1.002 459 T CA -0.560 61.551 62.100 0.019 0.000 1.074 459 T CB 0.643 69.519 68.868 0.013 0.000 0.984 459 T HN 0.471 nan 8.240 nan 0.000 0.495 460 M N 2.724 122.333 119.600 0.015 0.000 2.217 460 M HA 0.458 4.927 4.480 -0.019 0.000 0.352 460 M C 0.450 176.755 176.300 0.009 0.000 1.376 460 M CA 0.755 56.062 55.300 0.013 0.000 1.107 460 M CB -0.538 32.069 32.600 0.012 0.000 1.723 460 M HN 0.954 nan 8.290 nan 0.000 0.461 461 G N 4.585 113.390 108.800 0.007 0.000 2.367 461 G HA2 0.215 4.164 3.960 -0.019 0.000 0.272 461 G HA3 0.215 4.164 3.960 -0.019 0.000 0.272 461 G C -3.382 171.520 174.900 0.003 0.000 1.271 461 G CA -1.105 43.998 45.100 0.005 0.000 0.893 461 G HN 0.399 nan 8.290 nan 0.000 0.485 462 P HA 0.268 nan 4.420 nan 0.000 0.261 462 P C 1.107 178.407 177.300 -0.000 0.000 1.173 462 P CA 2.400 65.500 63.100 0.001 0.000 0.760 462 P CB 0.632 32.333 31.700 0.001 0.000 0.783 463 G N 2.722 111.520 108.800 -0.002 0.000 2.284 463 G HA2 -0.310 3.639 3.960 -0.019 0.000 0.261 463 G HA3 -0.310 3.639 3.960 -0.019 0.000 0.261 463 G C 0.649 175.545 174.900 -0.006 0.000 0.997 463 G CA 0.587 45.684 45.100 -0.005 0.000 0.621 463 G HN 0.668 nan 8.290 nan 0.000 0.534 464 N N 0.223 118.922 118.700 -0.002 0.000 2.628 464 N HA 0.368 5.097 4.740 -0.019 0.000 0.299 464 N C 1.032 176.544 175.510 0.003 0.000 1.834 464 N CA 0.514 53.564 53.050 -0.000 0.000 0.871 464 N CB 0.397 38.887 38.487 0.005 0.000 1.377 464 N HN 0.245 nan 8.380 nan 0.000 0.493 465 E N 0.052 120.253 120.200 0.001 0.000 2.171 465 E HA -0.087 4.251 4.350 -0.019 0.000 0.197 465 E C 1.175 177.777 176.600 0.004 0.000 0.997 465 E CA 1.265 57.666 56.400 0.002 0.000 0.810 465 E CB 0.095 29.795 29.700 0.000 0.000 0.738 465 E HN 0.369 nan 8.360 nan 0.000 0.467 466 R N -0.533 119.969 120.500 0.004 0.000 2.310 466 R HA 0.120 4.449 4.340 -0.019 0.000 0.202 466 R C 0.713 177.020 176.300 0.012 0.000 0.933 466 R CA 0.476 56.580 56.100 0.006 0.000 1.054 466 R CB 0.217 30.519 30.300 0.004 0.000 0.985 466 R HN 0.230 nan 8.270 nan 0.000 0.489 467 G N 2.398 111.207 108.800 0.014 0.000 2.356 467 G HA2 -0.337 3.612 3.960 -0.019 0.000 0.296 467 G HA3 -0.337 3.612 3.960 -0.019 0.000 0.296 467 G C 0.147 175.068 174.900 0.036 0.000 1.022 467 G CA 0.992 46.106 45.100 0.023 0.000 0.961 467 G HN 0.700 nan 8.290 nan 0.000 0.510 468 N N -1.435 117.286 118.700 0.036 0.000 2.181 468 N HA 0.513 5.242 4.740 -0.019 0.000 0.207 468 N C 1.044 176.596 175.510 0.070 0.000 1.182 468 N CA 0.479 53.564 53.050 0.057 0.000 0.893 468 N CB 0.578 39.086 38.487 0.034 0.000 1.032 468 N HN 0.784 nan 8.380 nan 0.000 0.513 469 A N 0.993 123.835 122.820 0.035 0.000 2.450 469 A HA 0.447 4.756 4.320 -0.019 0.000 0.255 469 A C -0.677 176.967 177.584 0.099 0.000 1.096 469 A CA -0.302 51.734 52.037 -0.001 0.000 0.778 469 A CB -0.462 18.527 19.000 -0.018 0.000 1.031 469 A HN 0.480 nan 8.150 nan 0.000 0.494 470 F N 1.366 121.311 119.950 -0.008 0.000 2.556 470 F HA 0.815 5.332 4.527 -0.017 0.000 0.314 470 F C -0.141 175.653 175.800 -0.011 0.000 1.106 470 F CA -0.821 57.173 58.000 -0.010 0.000 0.911 470 F CB 1.171 40.164 39.000 -0.011 0.000 1.190 470 F HN 0.462 nan 8.300 nan 0.000 0.448 471 S N 2.258 118.101 115.700 0.239 0.000 2.837 471 S HA 0.836 5.295 4.470 -0.019 0.000 0.314 471 S C -1.070 173.631 174.600 0.169 0.000 1.098 471 S CA -0.894 57.383 58.200 0.128 0.000 0.903 471 S CB 1.338 64.568 63.200 0.050 0.000 1.310 471 S HN 1.069 nan 8.310 nan 0.000 0.581 472 R N 0.621 121.174 120.500 0.087 0.000 2.774 472 R HA 0.612 4.940 4.340 -0.019 0.000 0.272 472 R C -1.855 174.461 176.300 0.027 0.000 1.000 472 R CA -0.874 55.261 56.100 0.058 0.000 0.906 472 R CB 1.357 31.691 30.300 0.056 0.000 1.227 472 R HN 0.723 nan 8.270 nan 0.000 0.468 473 K N 1.715 122.120 120.400 0.008 0.000 2.435 473 K HA 0.595 4.903 4.320 -0.019 0.000 0.251 473 K C -1.158 175.438 176.600 -0.007 0.000 0.954 473 K CA -1.125 55.164 56.287 0.003 0.000 0.820 473 K CB 2.690 35.192 32.500 0.004 0.000 1.292 473 K HN 0.627 nan 8.250 nan 0.000 0.436 474 R N 1.023 121.524 120.500 0.002 0.000 2.532 474 R HA 0.345 4.674 4.340 -0.019 0.000 0.297 474 R C -1.265 175.047 176.300 0.020 0.000 0.984 474 R CA -0.800 55.303 56.100 0.005 0.000 0.884 474 R CB 2.581 32.888 30.300 0.013 0.000 1.182 474 R HN 0.695 nan 8.270 nan 0.000 0.442 475 T N 2.232 116.804 114.554 0.030 0.000 2.770 475 T HA 0.239 4.577 4.350 -0.019 0.000 0.283 475 T C 0.059 174.798 174.700 0.065 0.000 0.988 475 T CA -0.657 61.470 62.100 0.044 0.000 0.957 475 T CB 1.591 70.486 68.868 0.044 0.000 0.930 475 T HN 0.135 nan 8.240 nan 0.000 0.443 476 V N 5.023 124.973 119.914 0.060 0.000 2.521 476 V HA 0.164 4.272 4.120 -0.019 0.000 0.286 476 V C 0.431 176.571 176.094 0.076 0.000 1.034 476 V CA -0.452 61.890 62.300 0.071 0.000 1.045 476 V CB 0.212 32.070 31.823 0.059 0.000 0.974 476 V HN 0.731 nan 8.190 nan 0.000 0.480 477 L N 5.708 126.987 121.223 0.093 0.000 2.312 477 L HA 0.222 4.551 4.340 -0.019 0.000 0.287 477 L C 1.602 178.519 176.870 0.078 0.000 1.091 477 L CA -0.126 54.767 54.840 0.089 0.000 0.846 477 L CB 0.738 42.861 42.059 0.105 0.000 1.219 477 L HN 0.914 nan 8.230 nan 0.000 0.439 478 T N -0.097 114.497 114.554 0.066 0.000 2.978 478 T HA 0.113 4.452 4.350 -0.019 0.000 0.262 478 T C 0.966 175.703 174.700 0.062 0.000 1.063 478 T CA 0.313 62.449 62.100 0.061 0.000 1.140 478 T CB 0.238 69.136 68.868 0.050 0.000 0.886 478 T HN 0.460 nan 8.240 nan 0.000 0.470 479 R N 0.179 120.715 120.500 0.061 0.000 2.698 479 R HA 0.397 4.725 4.340 -0.019 0.000 0.275 479 R C 0.353 176.695 176.300 0.069 0.000 1.001 479 R CA -0.671 55.467 56.100 0.062 0.000 0.896 479 R CB 1.626 31.957 30.300 0.051 0.000 1.218 479 R HN 0.112 nan 8.270 nan 0.000 0.462 480 E N 0.487 120.735 120.200 0.080 0.000 2.187 480 E HA -0.231 4.108 4.350 -0.019 0.000 0.199 480 E C 1.303 177.949 176.600 0.077 0.000 1.004 480 E CA 2.139 58.597 56.400 0.096 0.000 0.813 480 E CB 0.052 29.819 29.700 0.111 0.000 0.736 480 E HN 0.581 nan 8.360 nan 0.000 0.468 481 S N 0.186 115.921 115.700 0.058 0.000 2.547 481 S HA -0.097 4.362 4.470 -0.019 0.000 0.235 481 S C 1.308 175.921 174.600 0.023 0.000 0.980 481 S CA 0.734 58.959 58.200 0.040 0.000 0.941 481 S CB 0.008 63.228 63.200 0.035 0.000 0.763 481 S HN 0.269 nan 8.310 nan 0.000 0.532 482 E N 0.393 120.611 120.200 0.031 0.000 2.526 482 E HA 0.383 4.722 4.350 -0.019 0.000 0.208 482 E C 1.147 177.761 176.600 0.023 0.000 0.997 482 E CA 0.304 56.719 56.400 0.024 0.000 0.961 482 E CB 0.457 30.180 29.700 0.038 0.000 1.030 482 E HN 0.569 nan 8.360 nan 0.000 0.483 483 A N 1.143 123.981 122.820 0.029 0.000 2.370 483 A HA 0.180 4.489 4.320 -0.019 0.000 0.238 483 A C 0.453 178.006 177.584 -0.052 0.000 1.289 483 A CA -0.027 52.028 52.037 0.031 0.000 0.885 483 A CB 0.136 19.190 19.000 0.090 0.000 0.961 483 A HN 0.011 nan 8.150 nan 0.000 0.499 484 V N 2.779 122.595 119.914 -0.163 0.000 2.294 484 V HA 0.393 4.502 4.120 -0.019 0.000 0.272 484 V C -0.378 175.500 176.094 -0.360 0.000 1.027 484 V CA -0.730 61.290 62.300 -0.466 0.000 0.823 484 V CB 0.478 31.898 31.823 -0.671 0.000 1.030 484 V HN 0.456 nan 8.190 nan 0.000 0.457 485 R N 3.403 123.703 120.500 -0.332 0.000 2.832 485 R HA 0.669 4.998 4.340 -0.019 0.000 0.271 485 R C -0.248 176.005 176.300 -0.078 0.000 0.996 485 R CA -0.778 55.256 56.100 -0.109 0.000 0.977 485 R CB 2.142 32.501 30.300 0.098 0.000 1.168 485 R HN 0.892 nan 8.270 nan 0.000 0.482 486 E N 0.277 120.533 120.200 0.094 0.000 2.244 486 E HA 0.702 5.041 4.350 -0.019 0.000 0.266 486 E C -0.819 175.978 176.600 0.327 0.000 0.914 486 E CA -1.100 55.385 56.400 0.141 0.000 0.794 486 E CB 1.744 31.485 29.700 0.067 0.000 1.210 486 E HN 0.557 nan 8.360 nan 0.000 0.414 487 A N 1.638 124.658 122.820 0.333 0.000 2.366 487 A HA 0.260 4.569 4.320 -0.019 0.000 0.249 487 A C -0.351 177.332 177.584 0.166 0.000 1.084 487 A CA -0.128 52.120 52.037 0.351 0.000 0.794 487 A CB 0.369 19.567 19.000 0.331 0.000 1.034 487 A HN 0.700 nan 8.150 nan 0.000 0.491 488 D N 0.330 120.777 120.400 0.078 0.000 2.472 488 D HA 0.460 5.089 4.640 -0.019 0.000 0.248 488 D C 0.716 177.014 176.300 -0.004 0.000 1.271 488 D CA 0.301 54.316 54.000 0.025 0.000 0.888 488 D CB 0.727 41.523 40.800 -0.007 0.000 1.337 488 D HN 0.475 nan 8.370 nan 0.000 0.526 489 A N 2.907 125.744 122.820 0.028 0.000 1.972 489 A HA -0.168 4.141 4.320 -0.019 0.000 0.219 489 A C 2.073 179.650 177.584 -0.011 0.000 1.169 489 A CA 1.376 53.424 52.037 0.018 0.000 0.635 489 A CB -0.188 18.837 19.000 0.043 0.000 0.810 489 A HN 0.485 nan 8.150 nan 0.000 0.446 490 R N -0.151 120.342 120.500 -0.012 0.000 2.081 490 R HA -0.119 4.210 4.340 -0.019 0.000 0.235 490 R C 1.685 177.958 176.300 -0.046 0.000 1.131 490 R CA 1.964 58.049 56.100 -0.026 0.000 0.960 490 R CB -0.349 29.942 30.300 -0.016 0.000 0.856 490 R HN 0.583 nan 8.270 nan 0.000 0.436 491 T N -3.216 111.308 114.554 -0.051 0.000 3.223 491 T HA 0.249 4.588 4.350 -0.019 0.000 0.259 491 T C 0.855 175.502 174.700 -0.088 0.000 1.015 491 T CA 0.134 62.193 62.100 -0.068 0.000 0.908 491 T CB 0.673 69.506 68.868 -0.059 0.000 1.054 491 T HN 0.393 nan 8.240 nan 0.000 0.567 492 G N 2.370 111.121 108.800 -0.082 0.000 2.341 492 G HA2 -0.355 3.594 3.960 -0.019 0.000 0.292 492 G HA3 -0.355 3.594 3.960 -0.019 0.000 0.292 492 G C 0.079 174.892 174.900 -0.145 0.000 1.021 492 G CA 0.262 45.310 45.100 -0.087 0.000 0.905 492 G HN 0.910 nan 8.290 nan 0.000 0.508 493 R N 0.530 120.906 120.500 -0.207 0.000 2.538 493 R HA 0.398 4.726 4.340 -0.019 0.000 0.282 493 R C 0.935 176.846 176.300 -0.648 0.000 1.009 493 R CA 1.147 57.000 56.100 -0.413 0.000 1.063 493 R CB 0.197 30.244 30.300 -0.421 0.000 0.945 493 R HN 0.512 nan 8.270 nan 0.000 0.414 494 T N 0.684 114.763 114.554 -0.793 0.000 2.778 494 T HA 0.552 4.891 4.350 -0.019 0.000 0.293 494 T C -1.134 173.032 174.700 -0.890 0.000 1.144 494 T CA -0.979 60.660 62.100 -0.768 0.000 1.010 494 T CB 1.240 69.871 68.868 -0.396 0.000 1.325 494 T HN 0.575 nan 8.240 nan 0.000 0.515 495 W N 0.366 121.614 121.300 -0.087 0.000 2.957 495 W HA 0.619 5.268 4.660 -0.018 0.000 0.336 495 W C -1.232 175.263 176.519 -0.040 0.000 1.087 495 W CA -1.145 56.174 57.345 -0.043 0.000 1.235 495 W CB 1.746 31.190 29.460 -0.027 0.000 1.399 495 W HN 0.602 nan 8.180 nan 0.000 0.480 496 I N 3.968 124.637 120.570 0.166 0.000 2.404 496 I HA 0.346 4.504 4.170 -0.019 0.000 0.293 496 I C -0.468 175.736 176.117 0.144 0.000 0.992 496 I CA -1.047 60.325 61.300 0.119 0.000 1.149 496 I CB 1.678 39.718 38.000 0.068 0.000 1.315 496 I HN 0.092 nan 8.210 nan 0.000 0.446 497 I N 5.782 126.440 120.570 0.147 0.000 2.330 497 I HA 0.291 4.450 4.170 -0.019 0.000 0.289 497 I C 0.156 176.357 176.117 0.140 0.000 1.001 497 I CA 0.215 61.595 61.300 0.134 0.000 1.193 497 I CB 1.414 39.484 38.000 0.116 0.000 1.345 497 I HN 0.552 nan 8.210 nan 0.000 0.461 498 S N 3.868 119.640 115.700 0.119 0.000 2.634 498 S HA 0.579 5.038 4.470 -0.019 0.000 0.296 498 S C -0.659 173.999 174.600 0.098 0.000 1.104 498 S CA -0.933 57.338 58.200 0.118 0.000 0.920 498 S CB 1.959 65.214 63.200 0.093 0.000 1.111 498 S HN 0.508 nan 8.310 nan 0.000 0.493 499 N N 1.990 120.743 118.700 0.089 0.000 2.621 499 N HA 0.344 5.072 4.740 -0.019 0.000 0.237 499 N C -1.949 173.586 175.510 0.042 0.000 0.997 499 N CA -2.368 50.719 53.050 0.061 0.000 0.918 499 N CB 1.231 39.747 38.487 0.049 0.000 1.122 499 N HN 0.370 nan 8.380 nan 0.000 0.510 500 P HA -0.087 nan 4.420 nan 0.000 0.229 500 P C 0.052 177.364 177.300 0.021 0.000 1.150 500 P CA 1.172 64.292 63.100 0.033 0.000 0.765 500 P CB 0.510 32.234 31.700 0.040 0.000 0.783 501 E N -1.351 118.859 120.200 0.017 0.000 2.511 501 E HA 0.117 4.456 4.350 -0.019 0.000 0.209 501 E C 0.271 176.866 176.600 -0.009 0.000 0.986 501 E CA -0.059 56.345 56.400 0.007 0.000 0.974 501 E CB 0.520 30.229 29.700 0.014 0.000 1.030 501 E HN -0.013 nan 8.360 nan 0.000 0.490 502 S N 1.254 116.943 115.700 -0.019 0.000 2.474 502 S HA 0.322 4.781 4.470 -0.019 0.000 0.321 502 S C -0.814 173.749 174.600 -0.063 0.000 1.080 502 S CA -0.631 57.538 58.200 -0.052 0.000 1.106 502 S CB 0.432 63.585 63.200 -0.078 0.000 0.984 502 S HN -0.029 nan 8.310 nan 0.000 0.464 503 K N 3.005 123.366 120.400 -0.066 0.000 2.208 503 K HA 0.405 4.714 4.320 -0.019 0.000 0.247 503 K C -0.178 176.371 176.600 -0.085 0.000 0.953 503 K CA -1.050 55.200 56.287 -0.061 0.000 0.837 503 K CB 1.035 33.514 32.500 -0.036 0.000 1.131 503 K HN 0.740 nan 8.250 nan 0.000 0.431 504 N N 0.576 119.229 118.700 -0.079 0.000 2.366 504 N HA 0.024 4.753 4.740 -0.019 0.000 0.277 504 N C 0.746 176.227 175.510 -0.049 0.000 1.275 504 N CA -0.449 52.553 53.050 -0.080 0.000 0.964 504 N CB 0.307 38.756 38.487 -0.064 0.000 1.167 504 N HN 0.576 nan 8.380 nan 0.000 0.568 505 R N -0.665 119.813 120.500 -0.038 0.000 2.241 505 R HA 0.014 4.343 4.340 -0.019 0.000 0.224 505 R C 0.578 176.866 176.300 -0.020 0.000 1.101 505 R CA 1.048 57.132 56.100 -0.026 0.000 0.995 505 R CB -0.749 29.540 30.300 -0.019 0.000 0.870 505 R HN 0.549 nan 8.270 nan 0.000 0.463 506 L N 1.487 122.699 121.223 -0.018 0.000 2.653 506 L HA 0.139 4.467 4.340 -0.019 0.000 0.232 506 L C 0.240 177.102 176.870 -0.014 0.000 1.169 506 L CA -0.020 54.811 54.840 -0.014 0.000 0.951 506 L CB -0.860 41.193 42.059 -0.011 0.000 1.181 506 L HN 0.447 nan 8.230 nan 0.000 0.460 507 N N 1.408 120.098 118.700 -0.017 0.000 2.735 507 N HA -0.160 4.568 4.740 -0.019 0.000 0.248 507 N C -0.428 175.075 175.510 -0.012 0.000 1.083 507 N CA 0.238 53.279 53.050 -0.015 0.000 0.703 507 N CB -0.008 38.472 38.487 -0.011 0.000 1.005 507 N HN 0.403 nan 8.380 nan 0.000 0.550 508 E N 0.112 120.303 120.200 -0.015 0.000 2.238 508 E HA 0.394 4.733 4.350 -0.019 0.000 0.267 508 E C -2.548 174.045 176.600 -0.011 0.000 0.887 508 E CA -1.728 54.668 56.400 -0.008 0.000 0.769 508 E CB 1.678 31.376 29.700 -0.003 0.000 1.187 508 E HN 0.116 nan 8.360 nan 0.000 0.416 509 P HA -0.059 nan 4.420 nan 0.000 0.264 509 P C -0.033 177.276 177.300 0.016 0.000 1.193 509 P CA -0.053 63.051 63.100 0.006 0.000 0.763 509 P CB 0.387 32.102 31.700 0.025 0.000 0.810 510 V N 1.956 121.869 119.914 -0.002 0.000 2.963 510 V HA 0.728 4.837 4.120 -0.019 0.000 0.306 510 V C 0.569 176.769 176.094 0.177 0.000 1.077 510 V CA 0.263 62.583 62.300 0.032 0.000 1.124 510 V CB 0.306 32.042 31.823 -0.146 0.000 0.987 510 V HN 0.728 nan 8.190 nan 0.000 0.487 511 G N 2.138 111.096 108.800 0.264 0.000 2.600 511 G HA2 0.610 4.558 3.960 -0.019 0.000 0.293 511 G HA3 0.610 4.558 3.960 -0.019 0.000 0.293 511 G C -2.307 172.721 174.900 0.212 0.000 1.408 511 G CA -0.747 44.501 45.100 0.246 0.000 0.782 511 G HN 0.752 nan 8.290 nan 0.000 0.482 512 Y N -0.202 120.115 120.300 0.027 0.000 2.492 512 Y HA 0.652 5.191 4.550 -0.018 0.000 0.346 512 Y C 0.050 175.965 175.900 0.025 0.000 0.997 512 Y CA -0.806 57.291 58.100 -0.005 0.000 1.025 512 Y CB 2.852 41.278 38.460 -0.058 0.000 1.263 512 Y HN 0.511 nan 8.280 nan 0.000 0.454 513 K N 3.682 124.137 120.400 0.093 0.000 2.292 513 K HA 0.544 4.853 4.320 -0.019 0.000 0.257 513 K C -1.803 174.778 176.600 -0.031 0.000 0.940 513 K CA -0.899 55.388 56.287 -0.001 0.000 0.811 513 K CB 1.259 33.696 32.500 -0.105 0.000 1.120 513 K HN 0.633 nan 8.250 nan 0.000 0.428 514 L N 4.740 125.957 121.223 -0.010 0.000 2.265 514 L HA 0.299 4.628 4.340 -0.019 0.000 0.288 514 L C -1.331 175.480 176.870 -0.098 0.000 1.058 514 L CA 0.137 55.004 54.840 0.044 0.000 0.809 514 L CB 0.481 42.608 42.059 0.112 0.000 1.179 514 L HN 0.657 nan 8.230 nan 0.000 0.429 515 H N 4.516 123.694 119.070 0.181 0.000 2.581 515 H HA 0.707 5.252 4.556 -0.019 0.000 0.308 515 H C -0.187 175.269 175.328 0.214 0.000 1.040 515 H CA -0.104 56.042 56.048 0.163 0.000 1.231 515 H CB 1.310 31.154 29.762 0.138 0.000 1.396 515 H HN 0.873 nan 8.280 nan 0.000 0.467 516 A N 2.274 125.280 122.820 0.311 0.000 2.295 516 A HA 0.213 4.522 4.320 -0.019 0.000 0.318 516 A C 0.342 178.206 177.584 0.466 0.000 1.134 516 A CA -0.639 51.612 52.037 0.356 0.000 0.827 516 A CB 0.479 19.723 19.000 0.407 0.000 1.136 516 A HN 1.024 nan 8.150 nan 0.000 0.493 517 H N 1.237 120.479 119.070 0.287 0.000 2.555 517 H HA -0.039 4.506 4.556 -0.019 0.000 0.269 517 H C -0.043 175.399 175.328 0.190 0.000 0.988 517 H CA 0.340 56.510 56.048 0.203 0.000 1.178 517 H CB 0.134 30.006 29.762 0.183 0.000 1.373 517 H HN 0.770 nan 8.280 nan 0.000 0.588 518 N N 1.819 120.737 118.700 0.364 0.000 2.735 518 N HA -0.172 4.557 4.740 -0.019 0.000 0.248 518 N C -0.521 175.119 175.510 0.215 0.000 1.083 518 N CA 0.582 53.795 53.050 0.271 0.000 0.703 518 N CB -0.903 37.703 38.487 0.199 0.000 1.005 518 N HN 0.530 nan 8.380 nan 0.000 0.550 519 Q N -0.073 119.869 119.800 0.237 0.000 2.382 519 Q HA 0.326 4.654 4.340 -0.019 0.000 0.229 519 Q C -1.829 174.253 176.000 0.137 0.000 1.006 519 Q CA -0.978 54.930 55.803 0.176 0.000 0.916 519 Q CB 0.154 29.007 28.738 0.191 0.000 1.235 519 Q HN 0.143 nan 8.270 nan 0.000 0.512 520 P HA 0.008 nan 4.420 nan 0.000 0.268 520 P C -0.173 177.156 177.300 0.050 0.000 1.205 520 P CA 0.163 63.304 63.100 0.069 0.000 0.771 520 P CB 0.496 32.228 31.700 0.054 0.000 0.858 521 T N 0.467 115.045 114.554 0.041 0.000 2.994 521 T HA 0.280 4.619 4.350 -0.019 0.000 0.322 521 T C 0.338 175.016 174.700 -0.036 0.000 1.199 521 T CA -0.803 61.303 62.100 0.009 0.000 0.945 521 T CB -0.064 68.821 68.868 0.028 0.000 1.754 521 T HN 0.181 nan 8.240 nan 0.000 0.571 522 L N 1.104 122.282 121.223 -0.076 0.000 2.534 522 L HA 0.198 4.527 4.340 -0.019 0.000 0.271 522 L C 0.870 177.710 176.870 -0.050 0.000 1.178 522 L CA 0.183 54.965 54.840 -0.097 0.000 0.907 522 L CB -0.310 41.660 42.059 -0.149 0.000 1.164 522 L HN 0.604 nan 8.230 nan 0.000 0.482 523 L N 4.928 126.126 121.223 -0.041 0.000 2.307 523 L HA 0.200 4.529 4.340 -0.019 0.000 0.211 523 L C 1.433 178.306 176.870 0.005 0.000 1.099 523 L CA 0.233 55.069 54.840 -0.008 0.000 0.816 523 L CB -0.539 41.520 42.059 0.001 0.000 0.952 523 L HN 0.824 nan 8.230 nan 0.000 0.455 524 A N 0.607 123.425 122.820 -0.003 0.000 2.547 524 A HA -0.106 4.203 4.320 -0.019 0.000 0.233 524 A C 0.308 177.903 177.584 0.018 0.000 1.067 524 A CA -0.074 51.972 52.037 0.016 0.000 0.763 524 A CB -0.073 18.938 19.000 0.018 0.000 1.007 524 A HN 0.279 nan 8.150 nan 0.000 0.506 525 D N 1.852 122.269 120.400 0.029 0.000 2.472 525 D HA 0.012 4.641 4.640 -0.019 0.000 0.237 525 D C -1.156 175.156 176.300 0.019 0.000 1.141 525 D CA -0.773 53.243 54.000 0.027 0.000 0.875 525 D CB 0.829 41.648 40.800 0.033 0.000 1.192 525 D HN 0.286 nan 8.370 nan 0.000 0.450 526 P HA -0.072 nan 4.420 nan 0.000 0.223 526 P C 0.788 178.092 177.300 0.007 0.000 1.144 526 P CA 0.740 63.844 63.100 0.008 0.000 0.783 526 P CB 0.174 31.879 31.700 0.008 0.000 0.771 527 G N -0.258 108.549 108.800 0.012 0.000 3.707 527 G HA2 0.199 4.147 3.960 -0.019 0.000 0.286 527 G HA3 0.199 4.147 3.960 -0.019 0.000 0.286 527 G C 0.288 175.200 174.900 0.019 0.000 1.112 527 G CA -0.011 45.095 45.100 0.010 0.000 0.861 527 G HN 0.377 nan 8.290 nan 0.000 0.534 528 S N -1.234 114.483 115.700 0.027 0.000 2.687 528 S HA 0.488 4.947 4.470 -0.019 0.000 0.283 528 S C 1.494 176.115 174.600 0.035 0.000 1.170 528 S CA 0.330 58.563 58.200 0.055 0.000 1.008 528 S CB 1.812 65.056 63.200 0.073 0.000 1.026 528 S HN 0.079 nan 8.310 nan 0.000 0.541 529 S N 0.356 116.088 115.700 0.054 0.000 2.359 529 S HA -0.155 4.304 4.470 -0.019 0.000 0.224 529 S C 1.680 176.269 174.600 -0.019 0.000 1.035 529 S CA 1.406 59.572 58.200 -0.056 0.000 1.018 529 S CB -0.812 62.245 63.200 -0.238 0.000 0.876 529 S HN 0.691 nan 8.310 nan 0.000 0.448 530 I N 1.920 122.535 120.570 0.074 0.000 2.315 530 I HA 0.032 4.191 4.170 -0.019 0.000 0.248 530 I C 2.388 178.528 176.117 0.038 0.000 1.117 530 I CA 1.252 62.611 61.300 0.099 0.000 1.404 530 I CB -1.017 37.056 38.000 0.121 0.000 1.071 530 I HN 0.336 nan 8.210 nan 0.000 0.419 531 A N 0.533 123.360 122.820 0.011 0.000 1.902 531 A HA -0.185 4.124 4.320 -0.019 0.000 0.217 531 A C 2.324 179.892 177.584 -0.025 0.000 1.181 531 A CA 1.407 53.434 52.037 -0.018 0.000 0.623 531 A CB -0.508 18.488 19.000 -0.007 0.000 0.818 531 A HN 0.344 nan 8.150 nan 0.000 0.443 532 R N -0.237 120.245 120.500 -0.029 0.000 2.062 532 R HA -0.008 4.321 4.340 -0.019 0.000 0.229 532 R C 2.165 178.423 176.300 -0.069 0.000 1.128 532 R CA 1.465 57.531 56.100 -0.057 0.000 0.960 532 R CB -0.715 29.536 30.300 -0.082 0.000 0.855 532 R HN 0.589 nan 8.270 nan 0.000 0.432 533 R N 0.373 120.846 120.500 -0.045 0.000 2.115 533 R HA 0.064 4.393 4.340 -0.019 0.000 0.230 533 R C 1.069 177.449 176.300 0.133 0.000 1.111 533 R CA 1.240 57.321 56.100 -0.032 0.000 0.976 533 R CB 0.042 30.319 30.300 -0.039 0.000 0.870 533 R HN 0.083 nan 8.270 nan 0.000 0.445 534 A N 0.245 123.148 122.820 0.139 0.000 2.911 534 A HA 0.476 4.785 4.320 -0.019 0.000 0.304 534 A C 1.295 178.728 177.584 -0.253 0.000 1.144 534 A CA -0.003 52.041 52.037 0.011 0.000 0.988 534 A CB 0.223 19.135 19.000 -0.146 0.000 1.141 534 A HN 0.250 nan 8.150 nan 0.000 0.552 535 A N 0.218 122.983 122.820 -0.091 0.000 2.032 535 A HA -0.098 4.210 4.320 -0.019 0.000 0.221 535 A C 1.774 179.341 177.584 -0.029 0.000 1.165 535 A CA 1.815 53.820 52.037 -0.054 0.000 0.645 535 A CB -0.973 18.015 19.000 -0.020 0.000 0.807 535 A HN 1.301 nan 8.150 nan 0.000 0.453 536 F N -0.566 119.282 119.950 -0.169 0.000 2.216 536 F HA 0.101 4.616 4.527 -0.019 0.000 0.300 536 F C 2.035 177.903 175.800 0.113 0.000 1.085 536 F CA 0.811 58.645 58.000 -0.278 0.000 1.326 536 F CB -0.813 37.921 39.000 -0.445 0.000 1.027 536 F HN 0.132 nan 8.300 nan 0.000 0.497 537 A N 0.521 122.734 122.820 -1.011 0.000 2.239 537 A HA -0.002 4.307 4.320 -0.019 0.000 0.209 537 A C 2.033 179.497 177.584 -0.200 0.000 1.171 537 A CA 1.309 52.944 52.037 -0.670 0.000 0.768 537 A CB -1.495 16.927 19.000 -0.963 0.000 0.790 537 A HN 0.588 nan 8.150 nan 0.000 0.478 538 T N -3.942 110.585 114.554 -0.044 0.000 3.065 538 T HA 0.231 4.570 4.350 -0.019 0.000 0.252 538 T C 0.639 175.374 174.700 0.060 0.000 1.099 538 T CA 0.102 62.212 62.100 0.017 0.000 1.063 538 T CB 0.204 69.091 68.868 0.033 0.000 0.948 538 T HN 0.097 nan 8.240 nan 0.000 0.506 539 K N 0.886 121.376 120.400 0.151 0.000 2.435 539 K HA 0.413 4.722 4.320 -0.019 0.000 0.251 539 K C -0.506 176.170 176.600 0.126 0.000 0.954 539 K CA -0.456 55.838 56.287 0.011 0.000 0.820 539 K CB 2.235 34.491 32.500 -0.407 0.000 1.292 539 K HN -0.059 nan 8.250 nan 0.000 0.436 540 D N 0.203 120.632 120.400 0.048 0.000 2.183 540 D HA 0.011 4.640 4.640 -0.019 0.000 0.205 540 D C -0.086 176.263 176.300 0.082 0.000 0.962 540 D CA 0.691 54.767 54.000 0.127 0.000 0.849 540 D CB 0.353 41.276 40.800 0.205 0.000 0.978 540 D HN 0.082 nan 8.370 nan 0.000 0.488 541 L N -0.236 120.872 121.223 -0.190 0.000 2.431 541 L HA 0.487 4.816 4.340 -0.019 0.000 0.266 541 L C -1.982 174.765 176.870 -0.204 0.000 0.978 541 L CA -0.568 54.109 54.840 -0.270 0.000 0.822 541 L CB 1.535 42.979 42.059 -1.025 0.000 1.310 541 L HN -0.109 nan 8.230 nan 0.000 0.409 542 W N 4.083 125.369 121.300 -0.023 0.000 2.915 542 W HA 0.751 5.400 4.660 -0.019 0.000 0.337 542 W C -1.252 175.367 176.519 0.167 0.000 1.102 542 W CA -0.772 56.597 57.345 0.041 0.000 1.224 542 W CB 1.997 31.458 29.460 0.001 0.000 1.416 542 W HN 0.172 nan 8.180 nan 0.000 0.503 543 V N 2.485 122.609 119.914 0.349 0.000 2.604 543 V HA 0.814 4.923 4.120 -0.019 0.000 0.305 543 V C -0.094 176.202 176.094 0.337 0.000 1.043 543 V CA -0.835 61.660 62.300 0.325 0.000 0.888 543 V CB 1.613 33.542 31.823 0.178 0.000 0.995 543 V HN 0.583 nan 8.190 nan 0.000 0.429 544 T N 1.130 115.917 114.554 0.389 0.000 2.901 544 T HA 0.729 5.068 4.350 -0.019 0.000 0.293 544 T C -0.596 174.244 174.700 0.234 0.000 1.084 544 T CA -0.979 61.310 62.100 0.316 0.000 1.008 544 T CB 2.116 71.227 68.868 0.405 0.000 1.170 544 T HN 0.527 nan 8.240 nan 0.000 0.509 545 R N 0.953 121.549 120.500 0.160 0.000 2.389 545 R HA 0.340 4.669 4.340 -0.019 0.000 0.295 545 R C -0.858 175.507 176.300 0.108 0.000 1.075 545 R CA -0.939 55.237 56.100 0.127 0.000 1.005 545 R CB -0.568 29.782 30.300 0.083 0.000 0.987 545 R HN 0.780 nan 8.270 nan 0.000 0.452 546 Y N 3.163 123.474 120.300 0.017 0.000 2.610 546 Y HA 0.309 4.848 4.550 -0.019 0.000 0.332 546 Y C -0.719 175.141 175.900 -0.065 0.000 1.201 546 Y CA 0.815 58.898 58.100 -0.029 0.000 1.465 546 Y CB 0.450 38.871 38.460 -0.066 0.000 1.283 546 Y HN 0.744 nan 8.280 nan 0.000 0.563 547 A N 4.792 126.974 122.820 -1.062 0.000 2.520 547 A HA 0.337 4.646 4.320 -0.019 0.000 0.298 547 A C 0.039 176.991 177.584 -1.053 0.000 1.051 547 A CA -0.602 50.926 52.037 -0.847 0.000 0.690 547 A CB 1.128 19.846 19.000 -0.470 0.000 1.281 547 A HN 0.794 nan 8.150 nan 0.000 0.402 548 D N 0.560 120.575 120.400 -0.643 0.000 2.149 548 D HA -0.143 4.486 4.640 -0.019 0.000 0.198 548 D C 1.300 177.433 176.300 -0.277 0.000 0.990 548 D CA 2.031 55.819 54.000 -0.353 0.000 0.839 548 D CB 0.244 40.959 40.800 -0.140 0.000 0.948 548 D HN 0.740 nan 8.370 nan 0.000 0.460 549 D N 0.337 120.570 120.400 -0.278 0.000 2.348 549 D HA -0.097 4.531 4.640 -0.019 0.000 0.211 549 D C -0.099 176.034 176.300 -0.279 0.000 0.998 549 D CA 0.274 54.149 54.000 -0.208 0.000 0.873 549 D CB -0.160 40.552 40.800 -0.147 0.000 0.925 549 D HN 0.226 nan 8.370 nan 0.000 0.524 550 E N 0.981 120.910 120.200 -0.452 0.000 1.932 550 E HA 0.258 4.597 4.350 -0.019 0.000 0.259 550 E C 0.528 177.011 176.600 -0.196 0.000 1.099 550 E CA -0.236 55.786 56.400 -0.629 0.000 0.970 550 E CB 1.031 30.128 29.700 -1.005 0.000 1.143 550 E HN 0.174 nan 8.360 nan 0.000 0.441 551 R N 1.122 121.527 120.500 -0.158 0.000 2.167 551 R HA 0.115 4.444 4.340 -0.019 0.000 0.201 551 R C -0.085 175.951 176.300 -0.441 0.000 1.024 551 R CA 0.609 56.463 56.100 -0.409 0.000 1.053 551 R CB 0.548 30.344 30.300 -0.839 0.000 0.987 551 R HN 0.300 nan 8.270 nan 0.000 0.493 552 Y N 0.042 120.496 120.300 0.256 0.000 2.485 552 Y HA 0.290 4.829 4.550 -0.019 0.000 0.345 552 Y C -1.750 174.165 175.900 0.025 0.000 0.998 552 Y CA -2.952 55.249 58.100 0.169 0.000 1.059 552 Y CB 1.338 39.791 38.460 -0.012 0.000 1.234 552 Y HN -0.143 nan 8.280 nan 0.000 0.461 553 P HA -0.110 nan 4.420 nan 0.000 0.223 553 P C 0.753 177.817 177.300 -0.393 0.000 1.151 553 P CA 1.641 64.415 63.100 -0.542 0.000 0.787 553 P CB 0.158 31.470 31.700 -0.647 0.000 0.788 554 T N -4.782 109.673 114.554 -0.165 0.000 3.069 554 T HA 0.480 4.819 4.350 -0.019 0.000 0.252 554 T C 0.975 175.640 174.700 -0.058 0.000 1.053 554 T CA 0.173 62.231 62.100 -0.071 0.000 0.964 554 T CB -0.206 68.678 68.868 0.026 0.000 1.005 554 T HN 0.359 nan 8.240 nan 0.000 0.532 555 G N 1.406 110.204 108.800 -0.002 0.000 2.712 555 G HA2 -0.154 3.795 3.960 -0.019 0.000 0.683 555 G HA3 -0.154 3.795 3.960 -0.019 0.000 0.683 555 G C -0.212 174.690 174.900 0.003 0.000 1.320 555 G CA -0.178 44.953 45.100 0.053 0.000 0.847 555 G HN 0.128 nan 8.290 nan 0.000 0.553 556 D N -0.556 119.769 120.400 -0.125 0.000 2.144 556 D HA 0.012 4.641 4.640 -0.019 0.000 0.199 556 D C 0.905 176.650 176.300 -0.925 0.000 0.984 556 D CA 1.610 55.295 54.000 -0.525 0.000 0.834 556 D CB -0.074 40.237 40.800 -0.816 0.000 0.955 556 D HN 0.238 nan 8.370 nan 0.000 0.465 557 F N -0.012 119.805 119.950 -0.223 0.000 2.430 557 F HA 0.221 4.737 4.527 -0.018 0.000 0.362 557 F C 1.025 176.689 175.800 -0.227 0.000 1.103 557 F CA -0.674 57.149 58.000 -0.296 0.000 1.045 557 F CB 1.512 40.260 39.000 -0.421 0.000 1.276 557 F HN -0.363 nan 8.300 nan 0.000 0.444 558 V N 0.157 120.024 119.914 -0.078 0.000 2.685 558 V HA -0.077 4.032 4.120 -0.019 0.000 0.244 558 V C 1.093 177.091 176.094 -0.161 0.000 1.054 558 V CA 0.311 62.515 62.300 -0.161 0.000 1.076 558 V CB -0.472 31.175 31.823 -0.293 0.000 0.725 558 V HN 0.667 nan 8.190 nan 0.000 0.467 559 N N 1.632 120.276 118.700 -0.094 0.000 2.365 559 N HA -0.086 4.642 4.740 -0.019 0.000 0.265 559 N C 0.555 176.020 175.510 -0.075 0.000 1.288 559 N CA 0.754 53.754 53.050 -0.084 0.000 0.869 559 N CB -0.242 38.200 38.487 -0.074 0.000 1.071 559 N HN 0.463 nan 8.380 nan 0.000 0.480 560 Q N -0.253 119.497 119.800 -0.082 0.000 2.437 560 Q HA -0.316 4.012 4.340 -0.019 0.000 0.274 560 Q C -0.909 175.067 176.000 -0.039 0.000 1.165 560 Q CA 0.942 56.699 55.803 -0.076 0.000 0.925 560 Q CB -1.698 26.996 28.738 -0.073 0.000 1.327 560 Q HN 0.699 nan 8.270 nan 0.000 0.505 561 H N 0.020 118.983 119.070 -0.178 0.000 2.458 561 H HA 0.497 5.042 4.556 -0.019 0.000 0.330 561 H C 0.273 175.493 175.328 -0.180 0.000 1.111 561 H CA -0.033 55.919 56.048 -0.160 0.000 1.245 561 H CB 0.946 30.624 29.762 -0.141 0.000 1.456 561 H HN 0.215 nan 8.280 nan 0.000 0.488 562 S N 2.616 118.045 115.700 -0.453 0.000 2.546 562 S HA 0.487 4.946 4.470 -0.019 0.000 0.265 562 S C 0.956 175.170 174.600 -0.643 0.000 1.190 562 S CA -0.364 57.570 58.200 -0.443 0.000 1.014 562 S CB 0.206 63.237 63.200 -0.281 0.000 1.087 562 S HN 0.809 nan 8.310 nan 0.000 0.525 563 G N -1.823 106.747 108.800 -0.384 0.000 2.621 563 G HA2 0.492 4.441 3.960 -0.019 0.000 0.271 563 G HA3 0.492 4.441 3.960 -0.019 0.000 0.271 563 G C 0.811 175.529 174.900 -0.303 0.000 1.236 563 G CA -0.320 44.590 45.100 -0.317 0.000 0.958 563 G HN 1.853 nan 8.290 nan 0.000 0.512 564 G N -2.044 106.643 108.800 -0.188 0.000 2.545 564 G HA2 0.328 4.277 3.960 -0.019 0.000 0.195 564 G HA3 0.328 4.277 3.960 -0.019 0.000 0.195 564 G C 0.434 175.303 174.900 -0.050 0.000 1.009 564 G CA 0.751 45.793 45.100 -0.096 0.000 0.703 564 G HN 1.753 nan 8.290 nan 0.000 0.479 565 A N -0.355 122.437 122.820 -0.047 0.000 2.468 565 A HA 1.078 5.387 4.320 -0.019 0.000 0.277 565 A C 1.405 178.828 177.584 -0.268 0.000 1.203 565 A CA 0.978 52.983 52.037 -0.052 0.000 0.932 565 A CB 0.583 19.654 19.000 0.118 0.000 1.438 565 A HN 2.330 nan 8.150 nan 0.000 0.468 566 G N -1.966 106.556 108.800 -0.464 0.000 2.693 566 G HA2 -0.122 3.827 3.960 -0.019 0.000 0.226 566 G HA3 -0.122 3.827 3.960 -0.019 0.000 0.226 566 G C 0.685 174.725 174.900 -1.433 0.000 1.354 566 G CA -0.001 44.588 45.100 -0.851 0.000 0.873 566 G HN 1.211 nan 8.290 nan 0.000 0.562 567 L N 0.823 121.292 121.223 -1.256 0.000 2.021 567 L HA -0.142 4.186 4.340 -0.019 0.000 0.215 567 L C 0.329 176.814 176.870 -0.642 0.000 1.074 567 L CA 2.736 56.886 54.840 -1.150 0.000 0.760 567 L CB -1.435 39.695 42.059 -1.549 0.000 0.889 567 L HN 0.447 nan 8.230 nan 0.000 0.433 568 P HA -0.167 nan 4.420 nan 0.000 0.216 568 P C 1.815 179.051 177.300 -0.107 0.000 1.150 568 P CA 1.861 64.890 63.100 -0.118 0.000 0.837 568 P CB -0.016 31.633 31.700 -0.086 0.000 0.786 569 S N -2.543 113.025 115.700 -0.220 0.000 2.395 569 S HA -0.139 4.320 4.470 -0.019 0.000 0.225 569 S C 1.869 176.497 174.600 0.046 0.000 1.027 569 S CA 0.646 58.794 58.200 -0.086 0.000 0.965 569 S CB -1.537 61.615 63.200 -0.079 0.000 0.812 569 S HN -0.013 nan 8.310 nan 0.000 0.482 570 Y N 2.340 122.584 120.300 -0.092 0.000 2.114 570 Y HA 0.036 4.574 4.550 -0.019 0.000 0.284 570 Y C 2.558 178.446 175.900 -0.020 0.000 1.143 570 Y CA -0.337 57.716 58.100 -0.078 0.000 1.135 570 Y CB -1.196 37.174 38.460 -0.150 0.000 0.980 570 Y HN 0.197 nan 8.280 nan 0.000 0.499 571 I N 0.252 120.922 120.570 0.166 0.000 2.248 571 I HA -0.295 3.863 4.170 -0.019 0.000 0.248 571 I C 2.495 178.678 176.117 0.110 0.000 1.107 571 I CA 1.483 62.876 61.300 0.155 0.000 1.373 571 I CB -1.721 36.405 38.000 0.211 0.000 1.055 571 I HN 0.148 nan 8.210 nan 0.000 0.418 572 A N 0.105 122.977 122.820 0.086 0.000 2.131 572 A HA -0.232 4.077 4.320 -0.019 0.000 0.220 572 A C 2.141 179.760 177.584 0.058 0.000 1.158 572 A CA 1.252 53.326 52.037 0.062 0.000 0.665 572 A CB -0.626 18.401 19.000 0.045 0.000 0.795 572 A HN 0.578 nan 8.150 nan 0.000 0.460 573 Q N -1.351 118.491 119.800 0.069 0.000 2.364 573 Q HA -0.103 4.225 4.340 -0.019 0.000 0.207 573 Q C 0.272 176.303 176.000 0.051 0.000 0.970 573 Q CA 0.522 56.358 55.803 0.055 0.000 0.888 573 Q CB -0.122 28.648 28.738 0.053 0.000 0.951 573 Q HN 0.648 nan 8.270 nan 0.000 0.469 574 D N 0.736 121.173 120.400 0.061 0.000 2.686 574 D HA -0.183 4.446 4.640 -0.019 0.000 0.235 574 D C -0.860 175.472 176.300 0.053 0.000 1.160 574 D CA 0.604 54.638 54.000 0.057 0.000 0.645 574 D CB -0.528 40.299 40.800 0.045 0.000 1.039 574 D HN 0.219 nan 8.370 nan 0.000 0.423 575 R N 0.111 120.647 120.500 0.059 0.000 2.649 575 R HA 0.385 4.714 4.340 -0.019 0.000 0.270 575 R C 0.133 176.469 176.300 0.061 0.000 1.105 575 R CA -0.551 55.581 56.100 0.054 0.000 1.193 575 R CB 0.355 30.687 30.300 0.053 0.000 1.120 575 R HN 0.164 nan 8.270 nan 0.000 0.561 576 D N 1.181 121.615 120.400 0.056 0.000 2.317 576 D HA 0.086 4.714 4.640 -0.019 0.000 0.252 576 D C 0.531 176.874 176.300 0.071 0.000 1.174 576 D CA -0.123 53.913 54.000 0.059 0.000 0.866 576 D CB 0.601 41.431 40.800 0.050 0.000 1.127 576 D HN 0.518 nan 8.370 nan 0.000 0.467 577 I N -0.146 120.471 120.570 0.078 0.000 4.081 577 I HA 0.335 4.493 4.170 -0.019 0.000 0.333 577 I C 0.265 176.434 176.117 0.086 0.000 1.413 577 I CA -0.425 60.930 61.300 0.092 0.000 1.110 577 I CB 0.425 38.489 38.000 0.107 0.000 1.082 577 I HN 0.106 nan 8.210 nan 0.000 0.402 578 D N 3.124 123.568 120.400 0.073 0.000 2.453 578 D HA 0.318 4.947 4.640 -0.019 0.000 0.223 578 D C 1.059 177.398 176.300 0.064 0.000 1.183 578 D CA 0.556 54.596 54.000 0.068 0.000 0.933 578 D CB 0.408 41.243 40.800 0.058 0.000 1.038 578 D HN 0.535 nan 8.370 nan 0.000 0.513 579 G N 3.406 112.249 108.800 0.071 0.000 2.341 579 G HA2 -0.181 3.768 3.960 -0.019 0.000 0.278 579 G HA3 -0.181 3.768 3.960 -0.019 0.000 0.278 579 G C -0.131 174.814 174.900 0.074 0.000 1.111 579 G CA -0.232 44.908 45.100 0.068 0.000 0.982 579 G HN 0.500 nan 8.290 nan 0.000 0.502 580 Q N -0.741 119.111 119.800 0.088 0.000 2.687 580 Q HA 0.373 4.702 4.340 -0.019 0.000 0.305 580 Q C -1.017 175.055 176.000 0.121 0.000 1.006 580 Q CA -0.921 54.938 55.803 0.094 0.000 0.763 580 Q CB 0.963 29.752 28.738 0.086 0.000 1.506 580 Q HN 0.251 nan 8.270 nan 0.000 0.459 581 D N 1.959 122.430 120.400 0.119 0.000 2.344 581 D HA 0.296 4.925 4.640 -0.019 0.000 0.253 581 D C -0.355 176.037 176.300 0.154 0.000 1.255 581 D CA 0.077 54.158 54.000 0.135 0.000 0.894 581 D CB -0.230 40.561 40.800 -0.015 0.000 1.067 581 D HN 0.434 nan 8.370 nan 0.000 0.492 582 I N 0.069 120.738 120.570 0.164 0.000 2.957 582 I HA 0.687 4.846 4.170 -0.019 0.000 0.310 582 I C -0.935 175.264 176.117 0.136 0.000 1.063 582 I CA -1.048 60.347 61.300 0.159 0.000 1.033 582 I CB 2.190 40.272 38.000 0.137 0.000 1.230 582 I HN -0.088 nan 8.210 nan 0.000 0.447 583 V N 3.330 123.322 119.914 0.131 0.000 2.709 583 V HA 0.494 4.602 4.120 -0.019 0.000 0.308 583 V C -0.318 175.775 176.094 -0.002 0.000 1.062 583 V CA -0.685 61.613 62.300 -0.002 0.000 0.901 583 V CB 2.043 33.824 31.823 -0.070 0.000 1.003 583 V HN 0.576 nan 8.190 nan 0.000 0.425 584 V N 3.000 122.832 119.914 -0.136 0.000 2.459 584 V HA 0.514 4.623 4.120 -0.019 0.000 0.295 584 V C -1.348 174.675 176.094 -0.119 0.000 1.029 584 V CA -0.521 61.771 62.300 -0.012 0.000 0.874 584 V CB 1.876 33.689 31.823 -0.015 0.000 0.985 584 V HN 0.919 nan 8.190 nan 0.000 0.438 585 W N 3.861 125.203 121.300 0.070 0.000 2.411 585 W HA 0.546 5.195 4.660 -0.019 0.000 0.317 585 W C -0.224 176.379 176.519 0.140 0.000 1.030 585 W CA -0.601 56.786 57.345 0.070 0.000 1.239 585 W CB 0.673 30.153 29.460 0.034 0.000 1.304 585 W HN 0.593 nan 8.180 nan 0.000 0.437 586 H N 1.628 120.779 119.070 0.135 0.000 2.511 586 H HA 0.499 5.044 4.556 -0.018 0.000 0.328 586 H C -0.423 175.079 175.328 0.291 0.000 1.044 586 H CA -0.337 55.758 56.048 0.078 0.000 1.212 586 H CB 1.005 30.616 29.762 -0.251 0.000 1.428 586 H HN 0.192 nan 8.280 nan 0.000 0.483 587 T N 7.283 121.806 114.554 -0.053 0.000 2.771 587 T HA 0.417 4.756 4.350 -0.019 0.000 0.291 587 T C -1.021 173.599 174.700 -0.133 0.000 0.954 587 T CA -0.197 61.912 62.100 0.014 0.000 1.045 587 T CB -0.389 68.609 68.868 0.217 0.000 0.917 587 T HN 0.494 nan 8.240 nan 0.000 0.484 588 F N 0.019 119.877 119.950 -0.153 0.000 2.635 588 F HA 0.809 5.325 4.527 -0.018 0.000 0.314 588 F C -0.308 175.591 175.800 0.165 0.000 1.119 588 F CA -1.100 56.876 58.000 -0.041 0.000 1.000 588 F CB 1.001 39.947 39.000 -0.090 0.000 1.278 588 F HN 0.801 nan 8.300 nan 0.000 0.446 589 G N 2.068 110.969 108.800 0.168 0.000 2.559 589 G HA2 0.552 4.501 3.960 -0.019 0.000 0.291 589 G HA3 0.552 4.501 3.960 -0.019 0.000 0.291 589 G C -2.269 172.694 174.900 0.105 0.000 1.424 589 G CA -1.168 44.015 45.100 0.138 0.000 0.786 589 G HN 0.842 nan 8.290 nan 0.000 0.485 590 L N 0.218 121.474 121.223 0.055 0.000 2.360 590 L HA 0.626 4.955 4.340 -0.019 0.000 0.271 590 L C 0.063 176.872 176.870 -0.101 0.000 1.057 590 L CA -0.622 54.209 54.840 -0.014 0.000 0.803 590 L CB 1.955 43.983 42.059 -0.053 0.000 1.207 590 L HN 0.422 nan 8.230 nan 0.000 0.445 591 T N 0.403 114.884 114.554 -0.122 0.000 2.809 591 T HA 0.245 4.584 4.350 -0.019 0.000 0.296 591 T C -0.725 173.781 174.700 -0.323 0.000 1.015 591 T CA -0.341 61.609 62.100 -0.249 0.000 0.954 591 T CB 0.235 69.003 68.868 -0.167 0.000 0.950 591 T HN 0.436 nan 8.240 nan 0.000 0.450 592 H N 3.077 121.737 119.070 -0.685 0.000 2.541 592 H HA 0.394 4.939 4.556 -0.019 0.000 0.316 592 H C -1.125 173.725 175.328 -0.796 0.000 1.043 592 H CA -1.029 54.616 56.048 -0.672 0.000 1.232 592 H CB 0.415 29.733 29.762 -0.740 0.000 1.406 592 H HN 0.460 nan 8.280 nan 0.000 0.469 593 F N 6.573 126.328 119.950 -0.325 0.000 2.307 593 F HA 0.274 4.790 4.527 -0.019 0.000 0.369 593 F C -2.026 173.595 175.800 -0.298 0.000 1.076 593 F CA -2.328 55.358 58.000 -0.523 0.000 1.149 593 F CB 0.769 39.373 39.000 -0.661 0.000 1.410 593 F HN 0.504 nan 8.300 nan 0.000 0.481 594 P HA -0.023 nan 4.420 nan 0.000 0.263 594 P C -0.422 176.922 177.300 0.073 0.000 1.175 594 P CA 0.164 63.169 63.100 -0.159 0.000 0.761 594 P CB 0.480 32.141 31.700 -0.065 0.000 0.794 595 R N 1.648 122.223 120.500 0.125 0.000 2.732 595 R HA 0.408 4.737 4.340 -0.019 0.000 0.278 595 R C 0.446 176.821 176.300 0.124 0.000 0.976 595 R CA -0.891 55.276 56.100 0.111 0.000 0.963 595 R CB 0.504 30.870 30.300 0.111 0.000 1.150 595 R HN 0.073 nan 8.270 nan 0.000 0.478 596 V N 1.282 121.251 119.914 0.092 0.000 2.546 596 V HA -0.246 3.863 4.120 -0.019 0.000 0.254 596 V C 1.505 177.699 176.094 0.166 0.000 1.076 596 V CA 2.078 64.448 62.300 0.117 0.000 1.087 596 V CB -0.821 31.046 31.823 0.074 0.000 0.674 596 V HN 0.786 nan 8.190 nan 0.000 0.470 597 E N -0.268 120.009 120.200 0.129 0.000 2.418 597 E HA -0.113 4.226 4.350 -0.019 0.000 0.197 597 E C 1.706 178.383 176.600 0.128 0.000 1.026 597 E CA 0.591 57.058 56.400 0.111 0.000 0.862 597 E CB -0.188 29.558 29.700 0.076 0.000 0.799 597 E HN 0.567 nan 8.360 nan 0.000 0.518 598 D N -0.788 119.724 120.400 0.186 0.000 2.317 598 D HA -0.085 4.544 4.640 -0.019 0.000 0.211 598 D C -0.189 176.256 176.300 0.242 0.000 0.966 598 D CA 0.356 54.484 54.000 0.214 0.000 0.876 598 D CB 0.123 41.106 40.800 0.304 0.000 0.927 598 D HN 0.218 nan 8.370 nan 0.000 0.519 599 W N 1.953 123.287 121.300 0.058 0.000 2.496 599 W HA 0.218 4.867 4.660 -0.019 0.000 0.327 599 W C -2.073 174.478 176.519 0.054 0.000 1.086 599 W CA -1.982 55.395 57.345 0.053 0.000 1.222 599 W CB 2.059 31.547 29.460 0.048 0.000 1.304 599 W HN -0.172 nan 8.180 nan 0.000 0.547 600 P HA 0.183 nan 4.420 nan 0.000 0.259 600 P C -0.114 176.765 177.300 -0.702 0.000 1.233 600 P CA 0.584 62.803 63.100 -1.469 0.000 0.827 600 P CB 1.408 32.325 31.700 -1.305 0.000 1.154 601 I N -0.091 120.227 120.570 -0.420 0.000 2.545 601 I HA 0.363 4.521 4.170 -0.019 0.000 0.292 601 I C -0.557 175.444 176.117 -0.195 0.000 1.040 601 I CA -1.778 59.275 61.300 -0.412 0.000 1.068 601 I CB 2.451 39.938 38.000 -0.854 0.000 1.251 601 I HN -0.259 nan 8.210 nan 0.000 0.424 602 M N 9.260 128.808 119.600 -0.087 0.000 2.188 602 M HA 0.394 4.863 4.480 -0.019 0.000 0.354 602 M C -2.423 173.857 176.300 -0.033 0.000 1.342 602 M CA -1.152 54.155 55.300 0.011 0.000 1.117 602 M CB 0.760 33.428 32.600 0.114 0.000 1.670 602 M HN 0.267 nan 8.290 nan 0.000 0.466 603 P HA 0.096 nan 4.420 nan 0.000 0.275 603 P C -0.935 176.346 177.300 -0.032 0.000 1.227 603 P CA -0.483 62.599 63.100 -0.031 0.000 0.781 603 P CB 0.678 32.368 31.700 -0.016 0.000 0.906 604 V N 3.731 123.628 119.914 -0.030 0.000 2.584 604 V HA -0.069 4.040 4.120 -0.019 0.000 0.303 604 V C 0.653 176.717 176.094 -0.050 0.000 1.035 604 V CA 1.212 63.497 62.300 -0.026 0.000 1.172 604 V CB -0.259 31.566 31.823 0.002 0.000 0.896 604 V HN 0.594 nan 8.190 nan 0.000 0.486 605 D N 2.687 123.041 120.400 -0.077 0.000 2.350 605 D HA 0.751 5.380 4.640 -0.019 0.000 0.238 605 D C -0.168 176.080 176.300 -0.086 0.000 0.989 605 D CA -0.136 53.810 54.000 -0.089 0.000 0.921 605 D CB 2.357 43.073 40.800 -0.141 0.000 1.297 605 D HN 0.717 nan 8.370 nan 0.000 0.490 606 T N -1.834 112.679 114.554 -0.069 0.000 2.883 606 T HA 0.753 5.092 4.350 -0.019 0.000 0.296 606 T C -1.025 173.668 174.700 -0.012 0.000 1.117 606 T CA -0.762 61.292 62.100 -0.076 0.000 1.006 606 T CB 1.439 70.252 68.868 -0.091 0.000 1.191 606 T HN 0.249 nan 8.240 nan 0.000 0.508 607 V N -0.597 119.300 119.914 -0.029 0.000 3.242 607 V HA 0.902 5.011 4.120 -0.019 0.000 0.298 607 V C -0.200 175.875 176.094 -0.030 0.000 1.352 607 V CA 0.552 62.913 62.300 0.102 0.000 1.052 607 V CB 1.702 33.638 31.823 0.188 0.000 1.101 607 V HN 1.785 nan 8.190 nan 0.000 0.446 608 G N 2.133 110.786 108.800 -0.245 0.000 2.356 608 G HA2 0.658 4.607 3.960 -0.019 0.000 0.281 608 G HA3 0.658 4.607 3.960 -0.019 0.000 0.281 608 G C -1.493 172.798 174.900 -1.014 0.000 1.246 608 G CA 0.218 44.950 45.100 -0.612 0.000 0.889 608 G HN 1.995 nan 8.290 nan 0.000 0.486 609 F N -1.000 118.536 119.950 -0.691 0.000 2.858 609 F HA 0.871 5.387 4.527 -0.019 0.000 0.319 609 F C -1.118 174.646 175.800 -0.061 0.000 1.166 609 F CA -0.842 56.948 58.000 -0.350 0.000 0.899 609 F CB 1.511 40.323 39.000 -0.314 0.000 1.332 609 F HN 0.882 nan 8.300 nan 0.000 0.461 610 K N 0.899 121.411 120.400 0.187 0.000 2.579 610 K HA 0.814 5.123 4.320 -0.019 0.000 0.284 610 K C -2.524 174.297 176.600 0.369 0.000 0.990 610 K CA -1.030 55.355 56.287 0.163 0.000 0.880 610 K CB 2.520 35.101 32.500 0.136 0.000 1.488 610 K HN 0.747 nan 8.250 nan 0.000 0.425 611 L N 0.981 122.423 121.223 0.365 0.000 2.381 611 L HA 0.623 4.952 4.340 -0.019 0.000 0.268 611 L C -0.555 176.572 176.870 0.429 0.000 0.997 611 L CA -0.653 54.431 54.840 0.408 0.000 0.818 611 L CB 2.156 44.477 42.059 0.437 0.000 1.310 611 L HN 0.567 nan 8.230 nan 0.000 0.416 612 R N 2.177 122.863 120.500 0.310 0.000 2.686 612 R HA 0.517 4.846 4.340 -0.019 0.000 0.283 612 R C -2.671 173.395 176.300 -0.390 0.000 0.978 612 R CA -1.913 54.243 56.100 0.093 0.000 0.897 612 R CB 2.155 32.547 30.300 0.152 0.000 1.192 612 R HN 0.293 nan 8.270 nan 0.000 0.457 613 P HA -0.045 nan 4.420 nan 0.000 0.267 613 P C -0.566 176.520 177.300 -0.356 0.000 1.200 613 P CA 0.237 62.727 63.100 -1.017 0.000 0.772 613 P CB 0.675 32.110 31.700 -0.441 0.000 0.855 614 E N 1.332 121.389 120.200 -0.238 0.000 3.117 614 E HA 0.434 4.773 4.350 -0.019 0.000 0.262 614 E C 0.486 177.094 176.600 0.013 0.000 1.202 614 E CA -0.255 56.111 56.400 -0.058 0.000 0.853 614 E CB -0.627 29.053 29.700 -0.033 0.000 1.426 614 E HN 0.668 nan 8.360 nan 0.000 0.387 615 G N 2.805 111.627 108.800 0.036 0.000 2.160 615 G HA2 -0.352 3.597 3.960 -0.019 0.000 0.244 615 G HA3 -0.352 3.597 3.960 -0.019 0.000 0.244 615 G C 0.424 175.351 174.900 0.044 0.000 1.022 615 G CA 0.343 45.468 45.100 0.042 0.000 0.741 615 G HN 0.508 nan 8.290 nan 0.000 0.508 616 F N 0.167 120.032 119.950 -0.142 0.000 2.179 616 F HA 0.497 5.013 4.527 -0.019 0.000 0.292 616 F C 1.372 176.963 175.800 -0.348 0.000 1.089 616 F CA 0.514 58.339 58.000 -0.291 0.000 1.295 616 F CB 0.039 38.754 39.000 -0.474 0.000 1.041 616 F HN 0.106 nan 8.300 nan 0.000 0.487 617 F N 0.566 120.536 119.950 0.032 0.000 2.380 617 F HA 0.218 4.733 4.527 -0.020 0.000 0.319 617 F C 1.418 177.178 175.800 -0.068 0.000 1.113 617 F CA -0.693 57.269 58.000 -0.063 0.000 1.056 617 F CB 0.224 39.197 39.000 -0.045 0.000 1.289 617 F HN -0.236 nan 8.300 nan 0.000 0.515 618 D N -0.063 120.421 120.400 0.141 0.000 2.349 618 D HA 0.065 4.694 4.640 -0.019 0.000 0.215 618 D C 0.381 176.708 176.300 0.046 0.000 1.016 618 D CA 0.589 54.622 54.000 0.055 0.000 0.870 618 D CB 0.261 41.076 40.800 0.025 0.000 0.917 618 D HN 0.515 nan 8.370 nan 0.000 0.524 619 R N -2.064 118.473 120.500 0.060 0.000 2.888 619 R HA 0.208 4.537 4.340 -0.019 0.000 0.277 619 R C -0.791 175.491 176.300 -0.029 0.000 0.981 619 R CA -0.760 55.345 56.100 0.010 0.000 0.841 619 R CB 0.338 30.632 30.300 -0.009 0.000 1.405 619 R HN -0.162 nan 8.270 nan 0.000 0.472 620 S N 1.294 116.954 115.700 -0.066 0.000 2.544 620 S HA 0.106 4.564 4.470 -0.019 0.000 0.290 620 S C -1.182 173.296 174.600 -0.203 0.000 1.276 620 S CA -0.908 57.215 58.200 -0.128 0.000 1.075 620 S CB 0.486 63.637 63.200 -0.082 0.000 0.849 620 S HN 0.501 nan 8.310 nan 0.000 0.494 621 P HA 0.036 nan 4.420 nan 0.000 0.245 621 P C 0.695 177.883 177.300 -0.187 0.000 1.212 621 P CA 0.424 63.237 63.100 -0.479 0.000 0.774 621 P CB -0.229 30.720 31.700 -1.253 0.000 0.999 622 V N -4.018 115.825 119.914 -0.119 0.000 3.177 622 V HA 0.206 4.315 4.120 -0.019 0.000 0.342 622 V C 1.664 177.774 176.094 0.027 0.000 1.379 622 V CA -0.055 62.232 62.300 -0.021 0.000 1.191 622 V CB -0.935 30.898 31.823 0.017 0.000 1.167 622 V HN -0.102 nan 8.190 nan 0.000 0.471 623 L N 1.330 122.558 121.223 0.010 0.000 2.465 623 L HA 0.047 4.376 4.340 -0.019 0.000 0.224 623 L C 1.912 178.818 176.870 0.059 0.000 1.145 623 L CA 1.265 56.133 54.840 0.046 0.000 0.834 623 L CB -0.271 41.793 42.059 0.007 0.000 0.944 623 L HN 0.565 nan 8.230 nan 0.000 0.451 624 D N -1.046 119.373 120.400 0.030 0.000 2.363 624 D HA 0.014 4.643 4.640 -0.019 0.000 0.214 624 D C 0.597 176.903 176.300 0.010 0.000 1.093 624 D CA -0.072 53.940 54.000 0.020 0.000 0.837 624 D CB -0.071 40.730 40.800 0.002 0.000 0.948 624 D HN -0.039 nan 8.370 nan 0.000 0.507 625 V N 3.569 123.493 119.914 0.018 0.000 2.521 625 V HA 0.158 4.266 4.120 -0.019 0.000 0.286 625 V C -1.529 174.558 176.094 -0.011 0.000 1.034 625 V CA -0.986 61.311 62.300 -0.004 0.000 1.045 625 V CB 0.829 32.654 31.823 0.004 0.000 0.974 625 V HN 0.185 nan 8.190 nan 0.000 0.480 626 P HA 0.163 nan 4.420 nan 0.000 0.272 626 P C 0.317 177.584 177.300 -0.055 0.000 1.240 626 P CA -0.194 62.889 63.100 -0.028 0.000 0.791 626 P CB 1.221 32.908 31.700 -0.022 0.000 0.978 627 A N 1.024 123.808 122.820 -0.060 0.000 1.930 627 A HA -0.006 4.303 4.320 -0.019 0.000 0.215 627 A C 0.702 178.254 177.584 -0.054 0.000 1.176 627 A CA 1.023 53.009 52.037 -0.085 0.000 0.632 627 A CB -0.890 18.065 19.000 -0.074 0.000 0.819 627 A HN 0.708 nan 8.150 nan 0.000 0.445 628 N N 0.000 118.680 118.700 -0.033 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.019 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667