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 2hox_1_C DATA FIRST_RESID 1 DATA SEQUENCE KMTWTMKAAE EAEAVANINc SEHGRAFLDG IISEGSPKcE cNTcYTGPDc DATA SEQUENCE SEKIQGcSAD VASGDGLFLE EYWKQHKEAS AVLVSPWHRM SYFFNPVSNF DATA SEQUENCE ISFELEKTIK ELHEVVGNAA AKDRYIVFGV GVTQLIHGLV ISLSPNMTAT DATA SEQUENCE PDAPESKVVA HAPFYPVFRE QTKYFDKKGY VWAGNAANYV NVSNPEQYIE DATA SEQUENCE MVTSPNNPEG LLRHAVIKGC KSIYDMVYYW PHYTPIKYKA DEDILLFTMS DATA SEQUENCE KFTGHSGSRF GWALIKDESV YNNLLNYMTK NTEGTPRETQ LRSLKVLKEV DATA SEQUENCE VAMVKTQKGT MRDLNTFGFK KLRERWVNIT ALLDQSDRFS YQELPQSEYC DATA SEQUENCE NYFRRMRPPS PSYAWVKcEW EEDKDcYQTF QNGRINTQNG VGFEASSRYV DATA SEQUENCE RLSLIKTQDD FDQLMYYLKD MVKAK 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.571 176.600 -0.048 0.000 0.988 1 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 1 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 2 M N 2.703 122.261 119.600 -0.069 0.000 2.249 2 M HA 0.213 4.694 4.480 0.001 0.000 0.351 2 M C 1.191 177.439 176.300 -0.087 0.000 1.180 2 M CA 0.093 55.322 55.300 -0.118 0.000 1.127 2 M CB 1.479 33.999 32.600 -0.133 0.000 1.546 2 M HN 0.828 nan 8.290 nan 0.000 0.461 3 T N -1.310 113.174 114.554 -0.116 0.000 3.257 3 T HA 0.122 4.472 4.350 0.001 0.000 0.176 3 T C 1.216 175.925 174.700 0.015 0.000 0.892 3 T CA -0.287 61.807 62.100 -0.009 0.000 1.147 3 T CB -0.353 68.569 68.868 0.090 0.000 1.840 3 T HN 0.848 nan 8.240 nan 0.000 0.375 4 W N 3.025 124.350 121.300 0.041 0.000 2.595 4 W HA 0.069 4.730 4.660 0.001 0.000 0.257 4 W C 1.475 178.020 176.519 0.043 0.000 1.267 4 W CA 1.389 58.764 57.345 0.050 0.000 1.300 4 W CB -1.642 27.866 29.460 0.080 0.000 1.120 4 W HN 0.579 nan 8.180 nan 0.000 0.618 5 T N -1.579 112.681 114.554 -0.489 0.000 3.113 5 T HA -0.072 4.278 4.350 0.001 0.000 0.256 5 T C 1.611 176.203 174.700 -0.181 0.000 1.131 5 T CA 0.943 62.775 62.100 -0.446 0.000 1.074 5 T CB -0.345 68.102 68.868 -0.701 0.000 0.944 5 T HN 0.058 nan 8.240 nan 0.000 0.516 6 M N 1.037 120.573 119.600 -0.107 0.000 2.132 6 M HA 0.148 4.629 4.480 0.001 0.000 0.263 6 M C 2.110 178.393 176.300 -0.029 0.000 1.065 6 M CA 1.596 56.857 55.300 -0.065 0.000 1.122 6 M CB -0.241 32.336 32.600 -0.037 0.000 1.365 6 M HN 0.067 nan 8.290 nan 0.000 0.411 7 K N 0.109 120.514 120.400 0.008 0.000 2.057 7 K HA 0.022 4.343 4.320 0.001 0.000 0.207 7 K C 1.843 178.450 176.600 0.010 0.000 1.049 7 K CA 1.763 58.062 56.287 0.020 0.000 0.931 7 K CB -0.640 31.888 32.500 0.047 0.000 0.714 7 K HN 0.440 nan 8.250 nan 0.000 0.440 8 A N 0.275 123.102 122.820 0.012 0.000 1.898 8 A HA -0.043 4.277 4.320 0.001 0.000 0.216 8 A C 2.317 179.888 177.584 -0.022 0.000 1.181 8 A CA 1.916 53.956 52.037 0.003 0.000 0.620 8 A CB -0.948 18.059 19.000 0.011 0.000 0.819 8 A HN 0.367 nan 8.150 nan 0.000 0.442 9 A N -0.110 122.683 122.820 -0.046 0.000 1.877 9 A HA -0.181 4.140 4.320 0.001 0.000 0.216 9 A C 1.908 179.471 177.584 -0.035 0.000 1.186 9 A CA 1.681 53.687 52.037 -0.053 0.000 0.620 9 A CB -0.588 18.365 19.000 -0.078 0.000 0.822 9 A HN 0.621 nan 8.150 nan 0.000 0.443 10 E N -0.275 119.908 120.200 -0.028 0.000 2.085 10 E HA -0.217 4.134 4.350 0.001 0.000 0.194 10 E C 2.023 178.616 176.600 -0.011 0.000 0.994 10 E CA 1.447 57.836 56.400 -0.019 0.000 0.801 10 E CB -0.180 29.512 29.700 -0.013 0.000 0.743 10 E HN 0.729 nan 8.360 nan 0.000 0.453 11 E N 0.329 120.526 120.200 -0.005 0.000 2.072 11 E HA -0.164 4.186 4.350 0.001 0.000 0.191 11 E C 2.100 178.701 176.600 0.001 0.000 0.985 11 E CA 0.821 57.222 56.400 0.002 0.000 0.801 11 E CB -0.094 29.612 29.700 0.010 0.000 0.750 11 E HN 0.221 nan 8.360 nan 0.000 0.452 12 A N 1.602 124.420 122.820 -0.003 0.000 1.930 12 A HA -0.213 4.107 4.320 0.001 0.000 0.217 12 A C 1.932 179.513 177.584 -0.005 0.000 1.175 12 A CA 1.253 53.290 52.037 0.000 0.000 0.627 12 A CB -0.298 18.697 19.000 -0.008 0.000 0.815 12 A HN 0.148 nan 8.150 nan 0.000 0.443 13 E N -0.247 119.944 120.200 -0.014 0.000 2.106 13 E HA -0.083 4.268 4.350 0.001 0.000 0.192 13 E C 2.324 178.913 176.600 -0.018 0.000 0.984 13 E CA 0.877 57.266 56.400 -0.019 0.000 0.806 13 E CB -0.265 29.420 29.700 -0.024 0.000 0.750 13 E HN 0.607 nan 8.360 nan 0.000 0.458 14 A N 1.179 123.991 122.820 -0.014 0.000 1.930 14 A HA -0.117 4.204 4.320 0.001 0.000 0.217 14 A C 2.495 180.069 177.584 -0.018 0.000 1.175 14 A CA 1.068 53.096 52.037 -0.015 0.000 0.627 14 A CB -0.490 18.504 19.000 -0.010 0.000 0.815 14 A HN 0.104 nan 8.150 nan 0.000 0.443 15 V N -0.278 119.628 119.914 -0.013 0.000 2.453 15 V HA -0.151 3.970 4.120 0.001 0.000 0.247 15 V C 2.923 178.993 176.094 -0.041 0.000 1.048 15 V CA 1.581 63.869 62.300 -0.020 0.000 1.049 15 V CB -1.197 30.627 31.823 0.001 0.000 0.672 15 V HN 0.569 nan 8.190 nan 0.000 0.457 16 A N 0.410 123.212 122.820 -0.031 0.000 2.067 16 A HA -0.157 4.164 4.320 0.001 0.000 0.219 16 A C 1.879 179.433 177.584 -0.050 0.000 1.158 16 A CA 1.597 53.609 52.037 -0.042 0.000 0.661 16 A CB -0.518 18.468 19.000 -0.023 0.000 0.801 16 A HN 0.565 nan 8.150 nan 0.000 0.452 17 N N -0.209 118.466 118.700 -0.041 0.000 2.398 17 N HA 0.149 4.890 4.740 0.001 0.000 0.188 17 N C 0.065 175.550 175.510 -0.042 0.000 1.122 17 N CA 0.132 53.158 53.050 -0.039 0.000 0.866 17 N CB -0.082 38.387 38.487 -0.031 0.000 0.970 17 N HN 0.488 nan 8.380 nan 0.000 0.462 18 I N 1.505 122.045 120.570 -0.050 0.000 2.556 18 I HA -0.052 4.119 4.170 0.001 0.000 0.284 18 I C 0.736 176.819 176.117 -0.056 0.000 1.114 18 I CA -0.367 60.903 61.300 -0.049 0.000 1.418 18 I CB 0.307 38.274 38.000 -0.054 0.000 1.394 18 I HN -0.083 nan 8.210 nan 0.000 0.552 19 N N 6.313 124.987 118.700 -0.044 0.000 2.399 19 N HA 0.093 4.834 4.740 0.001 0.000 0.259 19 N C -0.412 175.071 175.510 -0.045 0.000 1.160 19 N CA -0.205 52.818 53.050 -0.045 0.000 0.946 19 N CB 0.416 38.884 38.487 -0.032 0.000 1.156 19 N HN 0.556 nan 8.380 nan 0.000 0.489 20 c N 2.902 121.465 118.600 -0.062 0.000 2.647 20 c HA 0.307 4.877 4.570 0.001 0.000 0.296 20 c C 1.081 175.134 174.090 -0.062 0.000 1.403 20 c CA 0.131 56.426 56.329 -0.056 0.000 1.781 20 c CB -2.454 40.008 42.510 -0.080 0.000 2.464 20 c HN 0.972 nan 8.230 nan 0.000 0.559 21 S N 1.578 117.239 115.700 -0.065 0.000 3.236 21 S HA -0.267 4.203 4.470 0.001 0.000 0.629 21 S C 0.230 174.711 174.600 -0.198 0.000 2.873 21 S CA 1.289 59.430 58.200 -0.099 0.000 3.603 21 S CB -0.503 62.675 63.200 -0.036 0.000 0.287 21 S HN 0.506 nan 8.310 nan 0.000 1.458 22 E N 1.301 121.266 120.200 -0.391 0.000 2.437 22 E HA 0.230 4.581 4.350 0.001 0.000 0.195 22 E C 0.460 176.672 176.600 -0.647 0.000 1.029 22 E CA 0.073 56.185 56.400 -0.481 0.000 0.948 22 E CB -0.157 29.253 29.700 -0.483 0.000 1.082 22 E HN 0.680 nan 8.360 nan 0.000 0.456 23 H N -1.142 117.787 119.070 -0.234 0.000 3.078 23 H HA 0.429 4.985 4.556 0.001 0.000 0.263 23 H C 0.771 175.986 175.328 -0.189 0.000 1.177 23 H CA 0.282 56.119 56.048 -0.352 0.000 1.128 23 H CB 1.644 30.944 29.762 -0.771 0.000 1.623 23 H HN 0.129 nan 8.280 nan 0.000 0.592 24 G N 0.783 109.551 108.800 -0.053 0.000 2.619 24 G HA2 0.514 4.475 3.960 0.001 0.000 0.305 24 G HA3 0.514 4.475 3.960 0.001 0.000 0.305 24 G C -1.290 173.547 174.900 -0.105 0.000 1.330 24 G CA -0.894 44.179 45.100 -0.044 0.000 0.789 24 G HN 0.159 nan 8.290 nan 0.000 0.487 25 R N -1.084 119.314 120.500 -0.170 0.000 2.692 25 R HA 0.811 5.152 4.340 0.001 0.000 0.269 25 R C -1.495 174.533 176.300 -0.454 0.000 1.030 25 R CA -0.285 55.630 56.100 -0.308 0.000 0.882 25 R CB 1.030 31.096 30.300 -0.390 0.000 1.250 25 R HN 1.702 nan 8.270 nan 0.000 0.465 26 A N 1.532 124.066 122.820 -0.476 0.000 2.355 26 A HA 0.843 5.163 4.320 0.001 0.000 0.324 26 A C -1.420 175.851 177.584 -0.521 0.000 1.117 26 A CA -0.619 51.172 52.037 -0.410 0.000 0.785 26 A CB 0.877 19.774 19.000 -0.172 0.000 1.254 26 A HN 0.429 nan 8.150 nan 0.000 0.453 27 F N 0.371 120.324 119.950 0.005 0.000 2.579 27 F HA 0.451 4.978 4.527 0.001 0.000 0.324 27 F C 1.254 177.054 175.800 -0.000 0.000 1.058 27 F CA -0.804 57.197 58.000 0.001 0.000 0.944 27 F CB 1.537 40.539 39.000 0.004 0.000 1.245 27 F HN 0.488 nan 8.300 nan 0.000 0.477 28 L N 0.766 122.111 121.223 0.203 0.000 2.081 28 L HA -0.203 4.138 4.340 0.001 0.000 0.212 28 L C 1.445 178.369 176.870 0.089 0.000 1.080 28 L CA 1.645 56.546 54.840 0.102 0.000 0.754 28 L CB -0.301 41.799 42.059 0.067 0.000 0.893 28 L HN 0.667 nan 8.230 nan 0.000 0.433 29 D N -0.818 119.645 120.400 0.105 0.000 2.388 29 D HA 0.069 4.709 4.640 0.001 0.000 0.221 29 D C 0.853 177.209 176.300 0.092 0.000 1.133 29 D CA -0.082 53.960 54.000 0.071 0.000 0.831 29 D CB -0.355 40.465 40.800 0.033 0.000 0.962 29 D HN 0.065 nan 8.370 nan 0.000 0.502 30 G N 0.501 109.381 108.800 0.134 0.000 2.636 30 G HA2 0.344 4.305 3.960 0.001 0.000 0.246 30 G HA3 0.344 4.305 3.960 0.001 0.000 0.246 30 G C 0.282 175.225 174.900 0.073 0.000 1.216 30 G CA -0.709 44.465 45.100 0.123 0.000 0.854 30 G HN 0.279 nan 8.290 nan 0.000 0.572 31 I N 0.886 121.495 120.570 0.065 0.000 2.683 31 I HA -0.046 4.125 4.170 0.001 0.000 0.286 31 I C 0.346 176.485 176.117 0.037 0.000 1.175 31 I CA -0.064 61.263 61.300 0.046 0.000 1.429 31 I CB 0.549 38.575 38.000 0.044 0.000 1.371 31 I HN 0.094 nan 8.210 nan 0.000 0.569 32 I N 5.694 126.282 120.570 0.030 0.000 2.416 32 I HA 0.104 4.274 4.170 0.001 0.000 0.288 32 I C 0.432 176.561 176.117 0.020 0.000 1.051 32 I CA 0.501 61.816 61.300 0.024 0.000 1.375 32 I CB 0.966 38.979 38.000 0.022 0.000 1.407 32 I HN 0.486 nan 8.210 nan 0.000 0.516 33 S N 6.004 121.714 115.700 0.017 0.000 2.561 33 S HA 0.293 4.764 4.470 0.001 0.000 0.303 33 S C -0.003 174.604 174.600 0.012 0.000 1.110 33 S CA -0.396 57.813 58.200 0.015 0.000 1.034 33 S CB 0.681 63.891 63.200 0.015 0.000 1.010 33 S HN 0.598 nan 8.310 nan 0.000 0.482 34 E N 2.650 122.856 120.200 0.011 0.000 2.328 34 E HA -0.243 4.108 4.350 0.001 0.000 0.233 34 E C 0.850 177.455 176.600 0.008 0.000 1.219 34 E CA 1.299 57.704 56.400 0.009 0.000 0.717 34 E CB -1.770 27.934 29.700 0.008 0.000 1.210 34 E HN 1.504 nan 8.360 nan 0.000 0.381 35 G N -1.430 107.376 108.800 0.010 0.000 2.175 35 G HA2 -0.290 3.670 3.960 0.001 0.000 0.244 35 G HA3 -0.290 3.670 3.960 0.001 0.000 0.244 35 G C 0.220 175.126 174.900 0.010 0.000 0.982 35 G CA 0.354 45.460 45.100 0.010 0.000 0.641 35 G HN 0.443 nan 8.290 nan 0.000 0.527 36 S N 0.721 116.427 115.700 0.010 0.000 2.541 36 S HA 0.688 5.159 4.470 0.001 0.000 0.280 36 S C -2.877 171.730 174.600 0.011 0.000 1.112 36 S CA -1.006 57.199 58.200 0.008 0.000 0.925 36 S CB 2.857 66.059 63.200 0.002 0.000 1.067 36 S HN 0.087 nan 8.310 nan 0.000 0.479 37 P HA 0.133 nan 4.420 nan 0.000 0.268 37 P C -0.686 176.618 177.300 0.006 0.000 1.204 37 P CA -0.115 62.998 63.100 0.020 0.000 0.768 37 P CB 0.269 31.987 31.700 0.030 0.000 0.842 38 K N 1.993 122.402 120.400 0.015 0.000 2.382 38 K HA 0.118 4.439 4.320 0.001 0.000 0.275 38 K C -0.074 176.519 176.600 -0.012 0.000 1.009 38 K CA -0.198 56.094 56.287 0.008 0.000 0.970 38 K CB 0.215 32.728 32.500 0.023 0.000 0.934 38 K HN 0.499 nan 8.250 nan 0.000 0.479 39 c N 3.004 121.590 118.600 -0.022 0.000 2.634 39 c HA 0.014 4.585 4.570 0.001 0.000 0.418 39 c C 0.503 174.583 174.090 -0.017 0.000 1.373 39 c CA -0.100 56.203 56.329 -0.044 0.000 1.756 39 c CB -0.962 41.530 42.510 -0.029 0.000 2.589 39 c HN 0.634 nan 8.230 nan 0.000 0.602 40 E N 1.805 121.983 120.200 -0.037 0.000 2.133 40 E HA 0.337 4.688 4.350 0.001 0.000 0.274 40 E C -0.699 175.923 176.600 0.036 0.000 0.930 40 E CA -0.401 56.015 56.400 0.026 0.000 0.770 40 E CB 0.888 30.634 29.700 0.076 0.000 1.104 40 E HN 0.661 nan 8.360 nan 0.000 0.403 41 c N 3.037 121.681 118.600 0.073 0.000 2.364 41 c HA 0.320 4.891 4.570 0.001 0.000 0.356 41 c C 0.636 174.807 174.090 0.135 0.000 1.201 41 c CA -1.189 55.201 56.329 0.102 0.000 2.227 41 c CB 0.240 42.834 42.510 0.140 0.000 2.387 41 c HN 0.716 nan 8.230 nan 0.000 0.546 42 N N 1.156 119.949 118.700 0.155 0.000 2.340 42 N HA 0.105 4.846 4.740 0.001 0.000 0.236 42 N C 0.123 175.787 175.510 0.256 0.000 1.296 42 N CA 0.321 53.490 53.050 0.198 0.000 0.896 42 N CB 0.184 38.788 38.487 0.195 0.000 1.127 42 N HN 0.668 nan 8.380 nan 0.000 0.442 43 T N 0.670 115.352 114.554 0.213 0.000 2.891 43 T HA -0.037 4.313 4.350 0.001 0.000 0.296 43 T C 0.801 175.580 174.700 0.132 0.000 1.025 43 T CA 0.079 62.273 62.100 0.158 0.000 1.149 43 T CB -0.377 68.576 68.868 0.143 0.000 1.007 43 T HN 0.666 nan 8.240 nan 0.000 0.528 44 c N 1.787 120.406 118.600 0.031 0.000 4.497 44 c HA -0.149 4.422 4.570 0.001 0.000 0.268 44 c C 0.201 174.074 174.090 -0.361 0.000 1.343 44 c CA 0.242 56.491 56.329 -0.134 0.000 1.742 44 c CB -3.142 39.265 42.510 -0.171 0.000 1.450 44 c HN 0.903 nan 8.230 nan 0.000 0.733 45 Y N -0.893 119.387 120.300 -0.034 0.000 2.487 45 Y HA 0.715 5.265 4.550 0.001 0.000 0.337 45 Y C 0.491 176.380 175.900 -0.018 0.000 1.076 45 Y CA 0.250 58.316 58.100 -0.058 0.000 1.115 45 Y CB 1.676 40.088 38.460 -0.080 0.000 1.235 45 Y HN 0.242 nan 8.280 nan 0.000 0.468 46 T N -0.060 114.578 114.554 0.140 0.000 2.665 46 T HA 0.653 5.004 4.350 0.001 0.000 0.303 46 T C -0.817 173.930 174.700 0.078 0.000 1.334 46 T CA 0.092 62.240 62.100 0.081 0.000 1.011 46 T CB 1.190 70.078 68.868 0.033 0.000 1.573 46 T HN 1.420 nan 8.240 nan 0.000 0.492 47 G N 1.682 110.513 108.800 0.051 0.000 2.690 47 G HA2 -0.032 3.928 3.960 0.001 0.000 0.686 47 G HA3 -0.032 3.928 3.960 0.001 0.000 0.686 47 G C -2.198 172.725 174.900 0.039 0.000 1.277 47 G CA -0.168 44.958 45.100 0.043 0.000 0.799 47 G HN 0.629 nan 8.290 nan 0.000 0.613 48 P HA 0.031 nan 4.420 nan 0.000 0.222 48 P C 0.861 178.170 177.300 0.016 0.000 1.147 48 P CA 1.966 65.077 63.100 0.019 0.000 0.790 48 P CB 0.063 31.771 31.700 0.013 0.000 0.780 49 D N -2.306 118.108 120.400 0.023 0.000 2.462 49 D HA 0.034 4.674 4.640 0.001 0.000 0.221 49 D C 0.120 176.442 176.300 0.038 0.000 1.173 49 D CA -0.872 53.139 54.000 0.017 0.000 0.831 49 D CB -1.347 39.460 40.800 0.012 0.000 1.001 49 D HN -0.005 nan 8.370 nan 0.000 0.499 50 c N 0.746 119.382 118.600 0.061 0.000 4.297 50 c HA -0.188 4.383 4.570 0.001 0.000 0.290 50 c C 2.053 176.235 174.090 0.153 0.000 1.444 50 c CA 1.035 57.427 56.329 0.105 0.000 1.982 50 c CB -3.225 39.331 42.510 0.077 0.000 1.276 50 c HN 0.624 nan 8.230 nan 0.000 0.797 51 S N -1.344 114.439 115.700 0.140 0.000 2.524 51 S HA 0.115 4.586 4.470 0.001 0.000 0.216 51 S C 0.095 174.803 174.600 0.180 0.000 0.987 51 S CA 0.192 58.495 58.200 0.173 0.000 0.909 51 S CB 0.069 63.335 63.200 0.110 0.000 0.781 51 S HN 0.782 nan 8.310 nan 0.000 0.521 52 E N 1.988 122.277 120.200 0.149 0.000 2.130 52 E HA 0.367 4.717 4.350 0.001 0.000 0.284 52 E C -0.698 175.905 176.600 0.005 0.000 1.018 52 E CA -0.523 55.920 56.400 0.071 0.000 0.817 52 E CB 0.822 30.542 29.700 0.033 0.000 1.078 52 E HN 0.088 nan 8.360 nan 0.000 0.396 53 K N 3.900 124.224 120.400 -0.126 0.000 2.312 53 K HA 0.185 4.505 4.320 0.001 0.000 0.287 53 K C -0.765 175.669 176.600 -0.277 0.000 1.062 53 K CA -0.183 55.845 56.287 -0.432 0.000 0.934 53 K CB 0.238 32.487 32.500 -0.419 0.000 1.027 53 K HN 0.431 nan 8.250 nan 0.000 0.478 54 I N 4.121 124.520 120.570 -0.286 0.000 2.618 54 I HA -0.021 4.150 4.170 0.001 0.000 0.284 54 I C 0.865 176.899 176.117 -0.139 0.000 1.146 54 I CA 0.013 61.218 61.300 -0.158 0.000 1.425 54 I CB 0.780 38.708 38.000 -0.119 0.000 1.383 54 I HN 0.592 nan 8.210 nan 0.000 0.562 55 Q N 5.390 125.139 119.800 -0.087 0.000 2.314 55 Q HA 0.256 4.597 4.340 0.001 0.000 0.258 55 Q C 0.808 176.794 176.000 -0.023 0.000 0.954 55 Q CA 0.384 56.152 55.803 -0.058 0.000 0.890 55 Q CB 0.987 29.701 28.738 -0.040 0.000 1.210 55 Q HN 0.968 nan 8.270 nan 0.000 0.410 56 G N 2.751 111.558 108.800 0.012 0.000 2.198 56 G HA2 -0.282 3.679 3.960 0.001 0.000 0.257 56 G HA3 -0.282 3.679 3.960 0.001 0.000 0.257 56 G C -0.210 174.713 174.900 0.037 0.000 1.042 56 G CA 0.115 45.243 45.100 0.047 0.000 0.791 56 G HN 0.726 nan 8.290 nan 0.000 0.502 57 c N 0.972 119.605 118.600 0.056 0.000 2.329 57 c HA 0.787 5.357 4.570 0.001 0.000 0.329 57 c C 1.086 175.219 174.090 0.071 0.000 1.275 57 c CA -0.036 56.309 56.329 0.027 0.000 1.726 57 c CB 0.753 43.252 42.510 -0.018 0.000 2.291 57 c HN 0.597 nan 8.230 nan 0.000 0.514 58 S N 3.735 119.425 115.700 -0.017 0.000 2.565 58 S HA 0.506 4.976 4.470 0.001 0.000 0.276 58 S C 0.398 175.025 174.600 0.045 0.000 1.326 58 S CA -0.237 57.906 58.200 -0.095 0.000 1.045 58 S CB 0.971 64.103 63.200 -0.114 0.000 0.918 58 S HN 1.138 nan 8.310 nan 0.000 0.505 59 A N 2.185 125.070 122.820 0.107 0.000 2.483 59 A HA 0.282 4.602 4.320 0.001 0.000 0.238 59 A C 0.111 177.753 177.584 0.097 0.000 1.070 59 A CA -0.116 52.022 52.037 0.169 0.000 0.770 59 A CB 0.090 19.240 19.000 0.250 0.000 1.008 59 A HN 0.720 nan 8.150 nan 0.000 0.497 60 D N 1.453 121.923 120.400 0.117 0.000 2.440 60 D HA 0.358 4.999 4.640 0.001 0.000 0.252 60 D C -0.204 176.179 176.300 0.137 0.000 1.180 60 D CA -0.210 53.856 54.000 0.111 0.000 0.894 60 D CB 1.213 42.076 40.800 0.104 0.000 1.111 60 D HN 0.503 nan 8.370 nan 0.000 0.544 61 V N 1.986 121.984 119.914 0.139 0.000 2.854 61 V HA 0.611 4.731 4.120 0.001 0.000 0.366 61 V C 1.180 177.381 176.094 0.177 0.000 1.322 61 V CA 0.257 62.657 62.300 0.166 0.000 1.243 61 V CB 0.177 32.101 31.823 0.168 0.000 1.337 61 V HN 0.365 nan 8.190 nan 0.000 0.585 62 A N 1.338 124.258 122.820 0.168 0.000 1.874 62 A HA 0.211 4.532 4.320 0.001 0.000 0.214 62 A C 1.608 179.314 177.584 0.203 0.000 1.189 62 A CA 1.250 53.394 52.037 0.178 0.000 0.615 62 A CB -0.439 18.659 19.000 0.164 0.000 0.830 62 A HN 1.011 nan 8.150 nan 0.000 0.443 63 S N -0.308 115.510 115.700 0.198 0.000 2.562 63 S HA 0.497 4.968 4.470 0.001 0.000 0.275 63 S C 0.494 175.262 174.600 0.280 0.000 1.281 63 S CA -0.066 58.260 58.200 0.210 0.000 1.045 63 S CB 1.350 64.651 63.200 0.169 0.000 0.962 63 S HN 0.730 nan 8.310 nan 0.000 0.503 64 G N 1.379 110.384 108.800 0.342 0.000 3.101 64 G HA2 0.294 4.255 3.960 0.001 0.000 0.272 64 G HA3 0.294 4.255 3.960 0.001 0.000 0.272 64 G C -0.685 174.368 174.900 0.255 0.000 0.801 64 G CA -0.433 44.904 45.100 0.396 0.000 1.978 64 G HN 0.751 nan 8.290 nan 0.000 0.591 65 D N 1.589 122.118 120.400 0.216 0.000 2.441 65 D HA 0.349 4.990 4.640 0.001 0.000 0.231 65 D C 1.072 177.489 176.300 0.196 0.000 1.073 65 D CA -0.695 53.410 54.000 0.176 0.000 0.850 65 D CB 1.147 42.039 40.800 0.154 0.000 1.062 65 D HN 0.143 nan 8.370 nan 0.000 0.524 66 G N 3.578 112.495 108.800 0.194 0.000 3.263 66 G HA2 0.056 4.017 3.960 0.001 0.000 0.246 66 G HA3 0.056 4.017 3.960 0.001 0.000 0.246 66 G C 1.205 176.192 174.900 0.145 0.000 0.982 66 G CA -0.117 45.141 45.100 0.262 0.000 1.897 66 G HN 0.612 nan 8.290 nan 0.000 0.624 67 L N 0.025 121.357 121.223 0.180 0.000 2.456 67 L HA -0.000 4.340 4.340 0.001 0.000 0.224 67 L C 2.454 179.409 176.870 0.141 0.000 1.148 67 L CA 0.374 55.287 54.840 0.122 0.000 0.825 67 L CB -0.506 41.641 42.059 0.148 0.000 0.937 67 L HN 0.566 nan 8.230 nan 0.000 0.450 68 F N -0.286 119.697 119.950 0.056 0.000 2.307 68 F HA -0.138 4.389 4.527 0.001 0.000 0.301 68 F C 1.666 177.531 175.800 0.108 0.000 1.076 68 F CA 1.115 59.151 58.000 0.059 0.000 1.383 68 F CB -0.741 38.263 39.000 0.007 0.000 1.055 68 F HN -0.051 nan 8.300 nan 0.000 0.526 69 L N 0.419 121.261 121.223 -0.635 0.000 2.591 69 L HA 0.056 4.397 4.340 0.001 0.000 0.228 69 L C 2.391 179.148 176.870 -0.189 0.000 1.133 69 L CA 0.444 54.937 54.840 -0.578 0.000 0.880 69 L CB -0.632 40.987 42.059 -0.732 0.000 1.033 69 L HN 0.299 nan 8.230 nan 0.000 0.450 70 E N 1.060 121.229 120.200 -0.050 0.000 2.118 70 E HA -0.301 4.049 4.350 0.001 0.000 0.195 70 E C 1.938 178.551 176.600 0.022 0.000 0.992 70 E CA 1.369 57.796 56.400 0.045 0.000 0.804 70 E CB 0.157 29.896 29.700 0.066 0.000 0.741 70 E HN 0.513 nan 8.360 nan 0.000 0.458 71 E N -0.604 119.605 120.200 0.015 0.000 2.153 71 E HA -0.237 4.114 4.350 0.001 0.000 0.194 71 E C 1.857 178.354 176.600 -0.173 0.000 0.988 71 E CA 1.017 57.430 56.400 0.022 0.000 0.811 71 E CB -0.216 29.607 29.700 0.205 0.000 0.746 71 E HN 0.392 nan 8.360 nan 0.000 0.466 72 Y N -0.424 119.478 120.300 -0.663 0.000 2.114 72 Y HA -0.225 4.325 4.550 0.001 0.000 0.284 72 Y C 1.570 177.065 175.900 -0.676 0.000 1.143 72 Y CA 2.140 59.555 58.100 -1.142 0.000 1.135 72 Y CB -0.542 36.837 38.460 -1.801 0.000 0.980 72 Y HN 0.105 nan 8.280 nan 0.000 0.499 73 W N 0.725 121.913 121.300 -0.187 0.000 2.519 73 W HA -0.020 4.641 4.660 0.001 0.000 0.266 73 W C 2.141 178.590 176.519 -0.116 0.000 1.253 73 W CA 0.822 58.089 57.345 -0.129 0.000 1.274 73 W CB -0.102 29.341 29.460 -0.029 0.000 1.114 73 W HN -0.088 nan 8.180 nan 0.000 0.596 74 K N 0.350 120.770 120.400 0.034 0.000 2.362 74 K HA -0.146 4.175 4.320 0.001 0.000 0.200 74 K C 1.462 178.003 176.600 -0.098 0.000 1.046 74 K CA 0.964 57.244 56.287 -0.011 0.000 0.952 74 K CB -0.147 32.343 32.500 -0.017 0.000 0.753 74 K HN 0.339 nan 8.250 nan 0.000 0.466 75 Q N -0.730 118.944 119.800 -0.210 0.000 2.319 75 Q HA 0.045 4.386 4.340 0.001 0.000 0.202 75 Q C 0.153 175.820 176.000 -0.555 0.000 0.896 75 Q CA 0.312 55.909 55.803 -0.342 0.000 0.942 75 Q CB 0.625 29.118 28.738 -0.408 0.000 1.083 75 Q HN 0.397 nan 8.270 nan 0.000 0.510 76 H N -0.649 118.232 119.070 -0.314 0.000 2.562 76 H HA 0.234 4.791 4.556 0.001 0.000 0.249 76 H C 0.579 175.897 175.328 -0.015 0.000 1.195 76 H CA -0.181 55.750 56.048 -0.195 0.000 0.938 76 H CB 0.659 30.248 29.762 -0.289 0.000 1.891 76 H HN 0.114 nan 8.280 nan 0.000 0.595 77 K N 1.025 121.435 120.400 0.017 0.000 2.009 77 K HA -0.204 4.117 4.320 0.001 0.000 0.210 77 K C 1.912 178.523 176.600 0.019 0.000 1.049 77 K CA 1.497 57.803 56.287 0.032 0.000 0.929 77 K CB 0.277 32.770 32.500 -0.012 0.000 0.714 77 K HN 0.372 nan 8.250 nan 0.000 0.440 78 E N 0.673 120.865 120.200 -0.013 0.000 2.072 78 E HA -0.164 4.187 4.350 0.001 0.000 0.191 78 E C 1.943 178.543 176.600 -0.000 0.000 0.985 78 E CA 0.996 57.384 56.400 -0.019 0.000 0.801 78 E CB -0.016 29.662 29.700 -0.038 0.000 0.750 78 E HN 0.319 nan 8.360 nan 0.000 0.452 79 A N -0.073 122.764 122.820 0.029 0.000 2.014 79 A HA -0.014 4.307 4.320 0.001 0.000 0.218 79 A C 2.091 179.710 177.584 0.058 0.000 1.163 79 A CA 1.404 53.472 52.037 0.052 0.000 0.652 79 A CB 0.063 19.122 19.000 0.097 0.000 0.808 79 A HN 0.208 nan 8.150 nan 0.000 0.449 80 S N -1.330 114.418 115.700 0.080 0.000 2.603 80 S HA 0.522 4.993 4.470 0.001 0.000 0.232 80 S C 0.771 175.343 174.600 -0.046 0.000 1.016 80 S CA 0.104 58.323 58.200 0.032 0.000 0.976 80 S CB 0.159 63.428 63.200 0.114 0.000 0.921 80 S HN 0.730 nan 8.310 nan 0.000 0.516 81 A N 1.395 124.199 122.820 -0.028 0.000 2.466 81 A HA 0.556 4.876 4.320 0.001 0.000 0.238 81 A C -0.099 177.431 177.584 -0.090 0.000 1.074 81 A CA 0.071 52.072 52.037 -0.060 0.000 0.774 81 A CB 0.395 19.369 19.000 -0.043 0.000 1.015 81 A HN 0.327 nan 8.150 nan 0.000 0.498 82 V N 3.237 123.084 119.914 -0.112 0.000 2.888 82 V HA 0.496 4.617 4.120 0.001 0.000 0.309 82 V C -1.319 174.695 176.094 -0.132 0.000 1.114 82 V CA -0.871 61.350 62.300 -0.132 0.000 0.940 82 V CB 1.848 33.569 31.823 -0.170 0.000 1.021 82 V HN 0.904 nan 8.190 nan 0.000 0.426 83 L N 7.674 128.815 121.223 -0.136 0.000 2.262 83 L HA 0.582 4.923 4.340 0.001 0.000 0.288 83 L C -0.672 176.108 176.870 -0.149 0.000 1.035 83 L CA -0.024 54.737 54.840 -0.131 0.000 0.820 83 L CB 1.386 43.354 42.059 -0.153 0.000 1.204 83 L HN 0.529 nan 8.230 nan 0.000 0.424 84 V N 5.066 124.890 119.914 -0.150 0.000 2.353 84 V HA 0.230 4.350 4.120 0.001 0.000 0.264 84 V C 0.920 176.933 176.094 -0.135 0.000 1.049 84 V CA -0.528 61.648 62.300 -0.206 0.000 0.896 84 V CB 0.841 32.538 31.823 -0.210 0.000 1.025 84 V HN 0.934 nan 8.190 nan 0.000 0.475 85 S N 6.833 122.409 115.700 -0.206 0.000 2.573 85 S HA 0.219 4.690 4.470 0.001 0.000 0.277 85 S C -1.086 173.325 174.600 -0.315 0.000 1.346 85 S CA -0.690 57.303 58.200 -0.344 0.000 1.034 85 S CB 0.781 63.316 63.200 -1.109 0.000 0.879 85 S HN 0.642 nan 8.310 nan 0.000 0.528 86 P HA 0.112 nan 4.420 nan 0.000 0.245 86 P C 0.432 177.785 177.300 0.088 0.000 1.212 86 P CA 0.466 63.573 63.100 0.011 0.000 0.774 86 P CB -0.367 31.396 31.700 0.104 0.000 0.999 87 W N -1.210 120.084 121.300 -0.009 0.000 3.127 87 W HA 0.314 4.975 4.660 0.001 0.000 0.344 87 W C 0.340 176.854 176.519 -0.009 0.000 1.151 87 W CA -0.674 56.652 57.345 -0.031 0.000 1.765 87 W CB -1.544 27.876 29.460 -0.067 0.000 1.085 87 W HN -0.133 nan 8.180 nan 0.000 0.596 88 H N 3.269 122.052 119.070 -0.478 0.000 3.070 88 H HA 0.096 4.652 4.556 0.001 0.000 0.313 88 H C 0.997 176.232 175.328 -0.155 0.000 0.997 88 H CA 0.633 56.479 56.048 -0.337 0.000 1.438 88 H CB 0.517 30.092 29.762 -0.312 0.000 1.455 88 H HN 0.180 nan 8.280 nan 0.000 0.575 89 R N 4.478 124.581 120.500 -0.662 0.000 2.879 89 R HA -0.258 4.082 4.340 0.001 0.000 0.241 89 R C 0.763 176.909 176.300 -0.257 0.000 0.845 89 R CA 0.834 56.648 56.100 -0.477 0.000 0.599 89 R CB -1.048 28.873 30.300 -0.633 0.000 1.213 89 R HN 0.839 nan 8.270 nan 0.000 0.510 90 M N -0.386 119.119 119.600 -0.158 0.000 2.200 90 M HA -0.086 4.394 4.480 0.001 0.000 0.265 90 M C 1.380 177.557 176.300 -0.204 0.000 1.066 90 M CA 1.024 56.242 55.300 -0.137 0.000 1.127 90 M CB 0.038 32.603 32.600 -0.058 0.000 1.379 90 M HN 0.355 nan 8.290 nan 0.000 0.420 91 S N -0.636 114.964 115.700 -0.165 0.000 2.573 91 S HA -0.035 4.436 4.470 0.001 0.000 0.277 91 S C 0.742 175.172 174.600 -0.285 0.000 1.346 91 S CA -0.239 57.868 58.200 -0.154 0.000 1.034 91 S CB 0.393 63.593 63.200 0.001 0.000 0.879 91 S HN 0.300 nan 8.310 nan 0.000 0.528 92 Y N 1.761 121.835 120.300 -0.376 0.000 2.403 92 Y HA 0.029 4.580 4.550 0.001 0.000 0.291 92 Y C 0.298 175.842 175.900 -0.593 0.000 1.143 92 Y CA 0.761 58.477 58.100 -0.641 0.000 1.257 92 Y CB 0.067 37.862 38.460 -1.109 0.000 0.984 92 Y HN 0.453 nan 8.280 nan 0.000 0.550 93 F N -2.116 117.971 119.950 0.228 0.000 2.561 93 F HA 0.396 4.924 4.527 0.001 0.000 0.321 93 F C -0.329 175.476 175.800 0.008 0.000 1.065 93 F CA -2.022 56.104 58.000 0.210 0.000 0.934 93 F CB 0.508 39.618 39.000 0.183 0.000 1.215 93 F HN -0.373 nan 8.300 nan 0.000 0.471 94 F N 0.989 121.139 119.950 0.333 0.000 2.435 94 F HA 0.248 4.776 4.527 0.001 0.000 0.316 94 F C 0.613 176.515 175.800 0.170 0.000 1.220 94 F CA -0.062 58.061 58.000 0.205 0.000 1.241 94 F CB 0.449 39.558 39.000 0.181 0.000 1.234 94 F HN 0.358 nan 8.300 nan 0.000 0.569 95 N N 1.824 120.709 118.700 0.308 0.000 2.540 95 N HA 0.326 5.067 4.740 0.001 0.000 0.275 95 N C -2.732 172.853 175.510 0.125 0.000 1.053 95 N CA -1.627 51.526 53.050 0.172 0.000 0.876 95 N CB 0.643 39.205 38.487 0.125 0.000 1.284 95 N HN 0.275 nan 8.380 nan 0.000 0.518 96 P HA 0.160 nan 4.420 nan 0.000 0.272 96 P C -0.002 177.364 177.300 0.109 0.000 1.230 96 P CA -0.529 62.608 63.100 0.061 0.000 0.788 96 P CB 0.502 32.210 31.700 0.013 0.000 0.949 97 V N -0.677 119.278 119.914 0.067 0.000 2.814 97 V HA 0.230 4.350 4.120 0.001 0.000 0.307 97 V C 0.611 176.744 176.094 0.064 0.000 1.089 97 V CA 0.610 62.956 62.300 0.076 0.000 1.212 97 V CB -0.039 31.740 31.823 -0.073 0.000 0.912 97 V HN 0.833 nan 8.190 nan 0.000 0.497 98 S N 1.459 117.214 115.700 0.092 0.000 2.924 98 S HA 0.268 4.739 4.470 0.001 0.000 0.244 98 S C 0.245 174.843 174.600 -0.005 0.000 0.842 98 S CA -0.062 58.159 58.200 0.036 0.000 1.086 98 S CB -0.800 62.403 63.200 0.005 0.000 1.295 98 S HN 1.152 nan 8.310 nan 0.000 0.500 99 N N 1.429 120.067 118.700 -0.102 0.000 2.735 99 N HA -0.205 4.535 4.740 0.001 0.000 0.248 99 N C -0.466 175.004 175.510 -0.067 0.000 1.083 99 N CA 1.160 54.078 53.050 -0.220 0.000 0.703 99 N CB -1.927 36.503 38.487 -0.095 0.000 1.005 99 N HN 0.752 nan 8.380 nan 0.000 0.550 100 F N -3.137 117.006 119.950 0.322 0.000 3.034 100 F HA -0.252 4.275 4.527 0.001 0.000 0.286 100 F C 0.522 176.565 175.800 0.405 0.000 0.804 100 F CA 0.372 58.642 58.000 0.450 0.000 1.161 100 F CB -2.086 37.098 39.000 0.307 0.000 1.317 100 F HN 0.210 nan 8.300 nan 0.000 0.453 101 I N -0.016 120.643 120.570 0.149 0.000 2.410 101 I HA 0.238 4.408 4.170 0.001 0.000 0.286 101 I C 0.543 176.339 176.117 -0.535 0.000 1.009 101 I CA -0.768 60.411 61.300 -0.201 0.000 1.111 101 I CB 1.711 39.444 38.000 -0.445 0.000 1.262 101 I HN 0.059 nan 8.210 nan 0.000 0.443 102 S N 5.455 120.896 115.700 -0.431 0.000 2.509 102 S HA -0.009 4.462 4.470 0.001 0.000 0.287 102 S C 1.071 175.600 174.600 -0.118 0.000 1.248 102 S CA -0.008 57.895 58.200 -0.494 0.000 1.089 102 S CB 0.059 63.298 63.200 0.065 0.000 0.900 102 S HN 0.529 nan 8.310 nan 0.000 0.496 103 F N 5.022 124.820 119.950 -0.253 0.000 2.091 103 F HA -0.122 4.405 4.527 0.001 0.000 0.299 103 F C 2.165 177.945 175.800 -0.033 0.000 1.103 103 F CA 2.040 59.977 58.000 -0.105 0.000 1.228 103 F CB -0.099 38.853 39.000 -0.079 0.000 0.984 103 F HN 0.646 nan 8.300 nan 0.000 0.477 104 E N 0.163 120.447 120.200 0.140 0.000 2.106 104 E HA -0.177 4.174 4.350 0.001 0.000 0.192 104 E C 2.189 178.754 176.600 -0.060 0.000 0.984 104 E CA 1.001 57.430 56.400 0.049 0.000 0.806 104 E CB -0.725 29.060 29.700 0.142 0.000 0.750 104 E HN 0.420 nan 8.360 nan 0.000 0.458 105 L N 1.698 122.920 121.223 -0.002 0.000 2.056 105 L HA -0.126 4.214 4.340 0.001 0.000 0.207 105 L C 2.291 179.155 176.870 -0.009 0.000 1.078 105 L CA 1.897 56.727 54.840 -0.017 0.000 0.749 105 L CB -0.530 41.541 42.059 0.019 0.000 0.901 105 L HN 0.086 nan 8.230 nan 0.000 0.433 106 E N -0.346 119.889 120.200 0.058 0.000 2.085 106 E HA -0.330 4.021 4.350 0.001 0.000 0.194 106 E C 2.271 178.750 176.600 -0.201 0.000 0.994 106 E CA 1.717 58.096 56.400 -0.035 0.000 0.801 106 E CB -0.180 29.433 29.700 -0.146 0.000 0.743 106 E HN 0.533 nan 8.360 nan 0.000 0.453 107 K N -0.467 119.733 120.400 -0.334 0.000 2.057 107 K HA -0.116 4.205 4.320 0.001 0.000 0.207 107 K C 2.049 178.536 176.600 -0.188 0.000 1.049 107 K CA 1.824 57.919 56.287 -0.318 0.000 0.931 107 K CB -0.066 32.189 32.500 -0.409 0.000 0.714 107 K HN 0.094 nan 8.250 nan 0.000 0.440 108 T N 1.310 115.764 114.554 -0.167 0.000 2.857 108 T HA -0.037 4.314 4.350 0.001 0.000 0.266 108 T C 1.786 176.370 174.700 -0.194 0.000 1.048 108 T CA 1.134 63.148 62.100 -0.143 0.000 1.139 108 T CB -0.085 68.707 68.868 -0.127 0.000 0.874 108 T HN 0.176 nan 8.240 nan 0.000 0.455 109 I N 0.768 121.173 120.570 -0.276 0.000 2.226 109 I HA -0.191 3.980 4.170 0.001 0.000 0.245 109 I C 2.502 178.484 176.117 -0.225 0.000 1.100 109 I CA 1.395 62.440 61.300 -0.425 0.000 1.374 109 I CB -0.224 37.366 38.000 -0.684 0.000 1.057 109 I HN 0.178 nan 8.210 nan 0.000 0.413 110 K N 0.268 120.597 120.400 -0.118 0.000 2.097 110 K HA -0.221 4.100 4.320 0.001 0.000 0.205 110 K C 2.063 178.648 176.600 -0.024 0.000 1.050 110 K CA 1.306 57.582 56.287 -0.019 0.000 0.938 110 K CB -0.151 32.316 32.500 -0.054 0.000 0.718 110 K HN 0.320 nan 8.250 nan 0.000 0.442 111 E N 1.041 121.202 120.200 -0.067 0.000 2.077 111 E HA -0.213 4.138 4.350 0.001 0.000 0.193 111 E C 2.038 178.615 176.600 -0.039 0.000 0.989 111 E CA 0.797 57.171 56.400 -0.044 0.000 0.800 111 E CB 0.021 29.692 29.700 -0.047 0.000 0.746 111 E HN 0.116 nan 8.360 nan 0.000 0.452 112 L N 1.146 122.313 121.223 -0.093 0.000 2.012 112 L HA -0.222 4.119 4.340 0.001 0.000 0.210 112 L C 2.217 179.032 176.870 -0.093 0.000 1.073 112 L CA 1.957 56.734 54.840 -0.104 0.000 0.748 112 L CB -0.634 41.301 42.059 -0.206 0.000 0.891 112 L HN 0.259 nan 8.230 nan 0.000 0.431 113 H N -0.480 118.568 119.070 -0.038 0.000 2.421 113 H HA -0.151 4.406 4.556 0.001 0.000 0.298 113 H C 2.146 177.434 175.328 -0.067 0.000 1.087 113 H CA 1.659 57.649 56.048 -0.096 0.000 1.330 113 H CB -0.001 29.686 29.762 -0.125 0.000 1.388 113 H HN 0.600 nan 8.280 nan 0.000 0.526 114 E N 0.955 121.199 120.200 0.073 0.000 2.072 114 E HA -0.109 4.241 4.350 0.001 0.000 0.191 114 E C 2.243 178.866 176.600 0.037 0.000 0.985 114 E CA 1.374 57.798 56.400 0.040 0.000 0.801 114 E CB 0.239 29.952 29.700 0.022 0.000 0.750 114 E HN 0.316 nan 8.360 nan 0.000 0.452 115 V N -1.759 118.179 119.914 0.041 0.000 2.788 115 V HA -0.049 4.072 4.120 0.001 0.000 0.251 115 V C 2.081 178.246 176.094 0.119 0.000 1.068 115 V CA 0.820 63.158 62.300 0.063 0.000 1.090 115 V CB 0.156 32.017 31.823 0.062 0.000 0.710 115 V HN 0.075 nan 8.190 nan 0.000 0.467 116 V N 1.358 121.328 119.914 0.093 0.000 2.535 116 V HA 0.370 4.491 4.120 0.001 0.000 0.246 116 V C 2.161 178.279 176.094 0.041 0.000 1.045 116 V CA 1.555 63.906 62.300 0.085 0.000 1.058 116 V CB -0.725 31.063 31.823 -0.058 0.000 0.689 116 V HN 0.950 nan 8.190 nan 0.000 0.461 117 G N 1.866 110.667 108.800 0.001 0.000 2.137 117 G HA2 -0.281 3.680 3.960 0.001 0.000 0.237 117 G HA3 -0.281 3.680 3.960 0.001 0.000 0.237 117 G C 0.563 175.426 174.900 -0.061 0.000 1.002 117 G CA 0.535 45.630 45.100 -0.008 0.000 0.702 117 G HN 0.642 nan 8.290 nan 0.000 0.515 118 N N 0.189 118.798 118.700 -0.152 0.000 2.373 118 N HA 0.504 5.245 4.740 0.001 0.000 0.181 118 N C 0.620 176.130 175.510 0.000 0.000 1.082 118 N CA 1.180 54.105 53.050 -0.208 0.000 0.885 118 N CB 0.305 38.416 38.487 -0.628 0.000 0.977 118 N HN 1.556 nan 8.380 nan 0.000 0.462 119 A N -0.498 122.284 122.820 -0.064 0.000 2.574 119 A HA 0.754 5.075 4.320 0.001 0.000 0.297 119 A C -1.339 176.195 177.584 -0.082 0.000 1.062 119 A CA -0.533 51.447 52.037 -0.096 0.000 0.686 119 A CB 1.055 19.829 19.000 -0.377 0.000 1.285 119 A HN 0.307 nan 8.150 nan 0.000 0.403 120 A N 0.783 123.574 122.820 -0.047 0.000 2.376 120 A HA 0.593 4.914 4.320 0.001 0.000 0.298 120 A C 0.866 178.416 177.584 -0.057 0.000 1.271 120 A CA 0.424 52.438 52.037 -0.038 0.000 0.926 120 A CB -0.279 18.706 19.000 -0.025 0.000 1.141 120 A HN 2.135 nan 8.150 nan 0.000 0.539 121 A N 2.783 125.576 122.820 -0.046 0.000 2.211 121 A HA 0.267 4.588 4.320 0.001 0.000 0.208 121 A C 1.081 178.644 177.584 -0.035 0.000 1.250 121 A CA 0.125 52.145 52.037 -0.029 0.000 0.935 121 A CB -0.109 18.908 19.000 0.027 0.000 0.982 121 A HN 0.685 nan 8.150 nan 0.000 0.490 122 K N 1.410 121.786 120.400 -0.039 0.000 2.489 122 K HA 0.042 4.363 4.320 0.001 0.000 0.278 122 K C -0.599 175.946 176.600 -0.090 0.000 1.000 122 K CA 0.636 56.888 56.287 -0.059 0.000 1.012 122 K CB 0.065 32.538 32.500 -0.043 0.000 0.903 122 K HN 0.342 nan 8.250 nan 0.000 0.485 123 D N 1.327 121.651 120.400 -0.126 0.000 3.012 123 D HA -0.189 4.452 4.640 0.001 0.000 0.222 123 D C -0.560 175.584 176.300 -0.260 0.000 1.167 123 D CA 1.003 54.891 54.000 -0.186 0.000 0.854 123 D CB -0.351 40.365 40.800 -0.139 0.000 1.107 123 D HN 0.507 nan 8.370 nan 0.000 0.421 124 R N -0.091 120.277 120.500 -0.220 0.000 2.540 124 R HA 0.433 4.774 4.340 0.001 0.000 0.287 124 R C 0.174 176.283 176.300 -0.318 0.000 0.980 124 R CA -0.591 55.377 56.100 -0.220 0.000 0.966 124 R CB 0.372 30.633 30.300 -0.066 0.000 1.106 124 R HN -0.006 nan 8.270 nan 0.000 0.480 125 Y N 1.098 121.272 120.300 -0.210 0.000 2.346 125 Y HA 0.293 4.844 4.550 0.002 0.000 0.330 125 Y C 0.930 176.738 175.900 -0.154 0.000 1.178 125 Y CA 0.024 57.882 58.100 -0.404 0.000 1.331 125 Y CB 0.574 38.493 38.460 -0.901 0.000 1.253 125 Y HN 0.409 nan 8.280 nan 0.000 0.529 126 I N 2.725 123.329 120.570 0.057 0.000 2.509 126 I HA 0.628 4.799 4.170 0.001 0.000 0.293 126 I C -1.498 174.736 176.117 0.195 0.000 1.020 126 I CA -0.800 60.598 61.300 0.162 0.000 1.088 126 I CB 1.198 39.265 38.000 0.112 0.000 1.267 126 I HN 0.322 nan 8.210 nan 0.000 0.430 127 V N 6.787 126.857 119.914 0.260 0.000 2.735 127 V HA 0.489 4.610 4.120 0.001 0.000 0.310 127 V C -0.763 175.545 176.094 0.358 0.000 1.061 127 V CA -0.605 61.817 62.300 0.203 0.000 0.913 127 V CB 1.795 33.760 31.823 0.237 0.000 1.005 127 V HN 0.418 nan 8.190 nan 0.000 0.428 128 F N 1.727 121.808 119.950 0.218 0.000 2.399 128 F HA 0.883 5.410 4.527 0.001 0.000 0.328 128 F C 0.849 176.704 175.800 0.091 0.000 1.084 128 F CA -1.253 56.815 58.000 0.113 0.000 1.053 128 F CB 1.704 40.836 39.000 0.219 0.000 1.209 128 F HN 0.615 nan 8.300 nan 0.000 0.502 129 G N -0.049 108.848 108.800 0.161 0.000 2.680 129 G HA2 0.509 4.470 3.960 0.001 0.000 0.290 129 G HA3 0.509 4.470 3.960 0.001 0.000 0.290 129 G C -1.723 173.227 174.900 0.083 0.000 1.355 129 G CA -0.778 44.408 45.100 0.143 0.000 0.903 129 G HN 0.376 nan 8.290 nan 0.000 0.474 130 V N 1.877 121.872 119.914 0.135 0.000 2.149 130 V HA 0.499 4.620 4.120 0.001 0.000 0.245 130 V C 1.218 177.375 176.094 0.106 0.000 1.349 130 V CA 0.775 63.155 62.300 0.134 0.000 1.289 130 V CB -0.870 31.032 31.823 0.131 0.000 1.401 130 V HN 1.757 nan 8.190 nan 0.000 0.501 131 G N 2.817 111.663 108.800 0.076 0.000 2.787 131 G HA2 -0.140 3.821 3.960 0.001 0.000 0.685 131 G HA3 -0.140 3.821 3.960 0.001 0.000 0.685 131 G C 0.389 175.312 174.900 0.039 0.000 1.437 131 G CA -0.477 44.656 45.100 0.055 0.000 0.872 131 G HN 0.373 nan 8.290 nan 0.000 0.566 132 V N 1.220 121.143 119.914 0.015 0.000 2.568 132 V HA -0.206 3.914 4.120 0.001 0.000 0.253 132 V C 3.126 179.275 176.094 0.093 0.000 1.072 132 V CA 3.101 65.416 62.300 0.024 0.000 1.084 132 V CB -1.012 30.800 31.823 -0.018 0.000 0.676 132 V HN 1.004 nan 8.190 nan 0.000 0.469 133 T N -0.632 113.993 114.554 0.119 0.000 2.624 133 T HA -0.371 3.980 4.350 0.001 0.000 0.268 133 T C 1.882 176.670 174.700 0.146 0.000 1.041 133 T CA 2.293 64.483 62.100 0.150 0.000 1.159 133 T CB -0.261 68.687 68.868 0.133 0.000 0.863 133 T HN 0.593 nan 8.240 nan 0.000 0.434 134 Q N 0.091 119.974 119.800 0.138 0.000 2.119 134 Q HA -0.027 4.313 4.340 0.001 0.000 0.201 134 Q C 2.343 178.412 176.000 0.115 0.000 0.972 134 Q CA 1.057 56.961 55.803 0.169 0.000 0.847 134 Q CB -0.206 28.647 28.738 0.192 0.000 0.903 134 Q HN 0.513 nan 8.270 nan 0.000 0.433 135 L N 0.248 121.518 121.223 0.078 0.000 2.093 135 L HA -0.167 4.174 4.340 0.001 0.000 0.208 135 L C 2.359 179.196 176.870 -0.054 0.000 1.085 135 L CA 0.608 55.456 54.840 0.014 0.000 0.755 135 L CB -0.350 41.734 42.059 0.043 0.000 0.904 135 L HN 0.276 nan 8.230 nan 0.000 0.435 136 I N -0.715 119.861 120.570 0.010 0.000 2.118 136 I HA -0.418 3.753 4.170 0.001 0.000 0.241 136 I C 2.714 178.779 176.117 -0.086 0.000 1.070 136 I CA 1.720 63.021 61.300 0.001 0.000 1.327 136 I CB -0.578 37.503 38.000 0.135 0.000 1.034 136 I HN 0.363 nan 8.210 nan 0.000 0.405 137 H N 0.714 119.689 119.070 -0.160 0.000 2.357 137 H HA -0.116 4.440 4.556 0.001 0.000 0.301 137 H C 2.242 177.234 175.328 -0.559 0.000 1.082 137 H CA 1.507 57.386 56.048 -0.282 0.000 1.342 137 H CB -0.045 29.587 29.762 -0.216 0.000 1.389 137 H HN 0.378 nan 8.280 nan 0.000 0.511 138 G N 0.970 109.217 108.800 -0.921 0.000 2.442 138 G HA2 -0.222 3.739 3.960 0.001 0.000 0.219 138 G HA3 -0.222 3.739 3.960 0.001 0.000 0.219 138 G C 1.921 176.417 174.900 -0.672 0.000 1.141 138 G CA 0.667 44.953 45.100 -1.358 0.000 0.763 138 G HN 0.323 nan 8.290 nan 0.000 0.554 139 L N 0.057 121.031 121.223 -0.415 0.000 2.093 139 L HA -0.048 4.293 4.340 0.001 0.000 0.208 139 L C 3.002 179.690 176.870 -0.302 0.000 1.085 139 L CA 0.275 54.956 54.840 -0.266 0.000 0.755 139 L CB -0.352 41.605 42.059 -0.169 0.000 0.904 139 L HN 0.087 nan 8.230 nan 0.000 0.435 140 V N 0.350 120.027 119.914 -0.396 0.000 2.287 140 V HA -0.333 3.788 4.120 0.001 0.000 0.248 140 V C 2.311 178.139 176.094 -0.444 0.000 1.053 140 V CA 2.045 64.074 62.300 -0.453 0.000 1.027 140 V CB -0.367 31.101 31.823 -0.591 0.000 0.646 140 V HN 0.327 nan 8.190 nan 0.000 0.447 141 I N -0.086 120.171 120.570 -0.521 0.000 2.226 141 I HA -0.222 3.948 4.170 0.001 0.000 0.245 141 I C 2.503 178.521 176.117 -0.165 0.000 1.100 141 I CA 1.685 62.812 61.300 -0.289 0.000 1.374 141 I CB -0.440 37.386 38.000 -0.290 0.000 1.057 141 I HN 0.241 nan 8.210 nan 0.000 0.413 142 S N 0.550 116.133 115.700 -0.195 0.000 2.423 142 S HA -0.020 4.450 4.470 0.001 0.000 0.231 142 S C 1.782 176.330 174.600 -0.088 0.000 1.014 142 S CA 1.044 59.176 58.200 -0.114 0.000 0.965 142 S CB -0.119 63.012 63.200 -0.115 0.000 0.785 142 S HN 0.363 nan 8.310 nan 0.000 0.495 143 L N 0.496 121.653 121.223 -0.111 0.000 2.616 143 L HA 0.233 4.574 4.340 0.001 0.000 0.229 143 L C 0.281 177.110 176.870 -0.068 0.000 1.110 143 L CA 0.001 54.790 54.840 -0.084 0.000 0.884 143 L CB 0.268 42.268 42.059 -0.099 0.000 1.115 143 L HN 0.068 nan 8.230 nan 0.000 0.481 144 S N 0.222 115.888 115.700 -0.056 0.000 2.651 144 S HA 0.445 4.916 4.470 0.001 0.000 0.291 144 S C -2.269 172.332 174.600 0.002 0.000 1.141 144 S CA -1.042 57.153 58.200 -0.009 0.000 1.027 144 S CB 1.288 64.535 63.200 0.080 0.000 1.043 144 S HN -0.042 nan 8.310 nan 0.000 0.530 145 P HA 0.082 nan 4.420 nan 0.000 0.269 145 P C -0.837 176.467 177.300 0.006 0.000 1.215 145 P CA -0.392 62.706 63.100 -0.003 0.000 0.780 145 P CB 0.276 31.968 31.700 -0.013 0.000 0.898 146 N N 2.892 121.592 118.700 0.000 0.000 2.415 146 N HA 0.068 4.809 4.740 0.001 0.000 0.246 146 N C 1.004 176.511 175.510 -0.005 0.000 1.078 146 N CA -0.149 52.902 53.050 0.002 0.000 0.942 146 N CB 0.150 38.637 38.487 0.000 0.000 1.140 146 N HN 0.178 nan 8.380 nan 0.000 0.501 147 M N 1.907 121.502 119.600 -0.008 0.000 2.476 147 M HA -0.033 4.448 4.480 0.001 0.000 0.262 147 M C 1.303 177.595 176.300 -0.013 0.000 1.079 147 M CA 0.731 56.021 55.300 -0.016 0.000 1.104 147 M CB -1.105 31.479 32.600 -0.027 0.000 1.409 147 M HN 0.395 nan 8.290 nan 0.000 0.467 148 T N 0.974 115.523 114.554 -0.009 0.000 2.812 148 T HA 0.027 4.377 4.350 0.001 0.000 0.264 148 T C 1.998 176.693 174.700 -0.007 0.000 1.042 148 T CA 1.485 63.581 62.100 -0.008 0.000 1.140 148 T CB -0.126 68.739 68.868 -0.005 0.000 0.870 148 T HN 0.459 nan 8.240 nan 0.000 0.445 149 A N 1.686 124.502 122.820 -0.007 0.000 1.898 149 A HA 0.065 4.386 4.320 0.001 0.000 0.214 149 A C 1.759 179.338 177.584 -0.008 0.000 1.183 149 A CA 1.320 53.353 52.037 -0.007 0.000 0.622 149 A CB -0.409 18.587 19.000 -0.006 0.000 0.824 149 A HN 0.531 nan 8.150 nan 0.000 0.444 150 T N -3.303 111.246 114.554 -0.009 0.000 3.327 150 T HA 0.515 4.865 4.350 0.001 0.000 0.373 150 T C -2.358 172.334 174.700 -0.013 0.000 1.589 150 T CA -1.461 60.632 62.100 -0.011 0.000 1.497 150 T CB 1.277 70.139 68.868 -0.011 0.000 1.032 150 T HN 0.030 nan 8.240 nan 0.000 0.640 151 P HA 0.032 nan 4.420 nan 0.000 0.225 151 P C 0.383 177.673 177.300 -0.017 0.000 1.148 151 P CA 0.870 63.961 63.100 -0.015 0.000 0.779 151 P CB 0.077 31.769 31.700 -0.013 0.000 0.780 152 D N -1.443 118.948 120.400 -0.015 0.000 2.363 152 D HA 0.189 4.830 4.640 0.001 0.000 0.214 152 D C 0.573 176.863 176.300 -0.017 0.000 1.093 152 D CA -0.093 53.897 54.000 -0.015 0.000 0.837 152 D CB -0.279 40.514 40.800 -0.012 0.000 0.948 152 D HN 0.046 nan 8.370 nan 0.000 0.507 153 A N 1.932 124.741 122.820 -0.019 0.000 2.498 153 A HA 0.363 4.684 4.320 0.001 0.000 0.239 153 A C -2.021 175.546 177.584 -0.029 0.000 1.068 153 A CA -0.842 51.182 52.037 -0.022 0.000 0.766 153 A CB -0.064 18.924 19.000 -0.021 0.000 1.003 153 A HN -0.014 nan 8.150 nan 0.000 0.497 154 P HA 0.193 nan 4.420 nan 0.000 0.276 154 P C -0.392 176.870 177.300 -0.062 0.000 1.230 154 P CA -0.177 62.895 63.100 -0.047 0.000 0.776 154 P CB 0.602 32.275 31.700 -0.046 0.000 0.888 155 E N 1.042 121.198 120.200 -0.073 0.000 2.398 155 E HA 0.144 4.495 4.350 0.001 0.000 0.263 155 E C 0.083 176.609 176.600 -0.123 0.000 1.046 155 E CA 0.059 56.412 56.400 -0.078 0.000 0.908 155 E CB 0.482 30.133 29.700 -0.081 0.000 0.963 155 E HN 0.406 nan 8.360 nan 0.000 0.431 156 S N 1.901 117.547 115.700 -0.090 0.000 2.601 156 S HA 0.211 4.682 4.470 0.001 0.000 0.271 156 S C -0.267 174.197 174.600 -0.227 0.000 1.305 156 S CA -0.471 57.626 58.200 -0.171 0.000 1.022 156 S CB 0.702 63.843 63.200 -0.098 0.000 0.940 156 S HN 0.227 nan 8.310 nan 0.000 0.525 157 K N 1.816 121.929 120.400 -0.479 0.000 2.339 157 K HA 0.486 4.807 4.320 0.001 0.000 0.264 157 K C -1.234 175.109 176.600 -0.429 0.000 0.986 157 K CA -0.367 55.584 56.287 -0.560 0.000 0.866 157 K CB 1.357 33.188 32.500 -1.116 0.000 1.103 157 K HN 0.305 nan 8.250 nan 0.000 0.441 158 V N 4.426 124.164 119.914 -0.295 0.000 2.407 158 V HA 0.556 4.677 4.120 0.001 0.000 0.278 158 V C -0.072 175.686 176.094 -0.560 0.000 1.037 158 V CA -0.767 61.380 62.300 -0.255 0.000 0.900 158 V CB 1.023 32.838 31.823 -0.014 0.000 0.983 158 V HN 0.561 nan 8.190 nan 0.000 0.459 159 V N 1.710 121.337 119.914 -0.479 0.000 3.159 159 V HA 1.101 5.222 4.120 0.001 0.000 0.308 159 V C -0.463 175.401 176.094 -0.382 0.000 1.190 159 V CA -0.791 61.163 62.300 -0.577 0.000 1.037 159 V CB 1.949 33.625 31.823 -0.244 0.000 1.060 159 V HN 1.300 nan 8.190 nan 0.000 0.437 160 A N 0.493 123.114 122.820 -0.331 0.000 2.574 160 A HA 0.650 4.970 4.320 0.001 0.000 0.297 160 A C -1.059 176.571 177.584 0.077 0.000 1.062 160 A CA -0.572 51.355 52.037 -0.183 0.000 0.686 160 A CB 1.350 20.134 19.000 -0.361 0.000 1.285 160 A HN 1.413 nan 8.150 nan 0.000 0.403 161 H N 2.004 121.149 119.070 0.125 0.000 2.899 161 H HA 0.494 5.051 4.556 0.001 0.000 0.303 161 H C 0.312 175.875 175.328 0.391 0.000 1.042 161 H CA 0.848 57.017 56.048 0.201 0.000 1.479 161 H CB 0.980 30.803 29.762 0.102 0.000 1.493 161 H HN 0.859 nan 8.280 nan 0.000 0.534 162 A N 7.875 130.679 122.820 -0.026 0.000 2.354 162 A HA 0.348 4.669 4.320 0.001 0.000 0.269 162 A C -2.175 175.363 177.584 -0.077 0.000 1.109 162 A CA -1.422 50.658 52.037 0.072 0.000 0.800 162 A CB 0.167 19.184 19.000 0.029 0.000 1.045 162 A HN 0.636 nan 8.150 nan 0.000 0.489 163 P HA 0.529 nan 4.420 nan 0.000 0.278 163 P C -1.098 176.210 177.300 0.013 0.000 1.238 163 P CA 0.123 63.139 63.100 -0.140 0.000 0.794 163 P CB 0.684 32.215 31.700 -0.281 0.000 0.955 164 F N -0.219 119.824 119.950 0.155 0.000 2.643 164 F HA 0.445 4.973 4.527 0.001 0.000 0.314 164 F C -0.924 174.956 175.800 0.133 0.000 1.096 164 F CA -2.109 56.013 58.000 0.202 0.000 0.953 164 F CB 0.176 39.384 39.000 0.347 0.000 1.345 164 F HN 0.144 nan 8.300 nan 0.000 0.468 165 Y N 4.404 124.768 120.300 0.106 0.000 2.815 165 Y HA 0.217 4.768 4.550 0.001 0.000 0.346 165 Y C -1.822 173.897 175.900 -0.301 0.000 1.267 165 Y CA -2.297 55.608 58.100 -0.324 0.000 1.604 165 Y CB 0.210 38.196 38.460 -0.791 0.000 1.218 165 Y HN 0.429 nan 8.280 nan 0.000 0.527 166 P HA -0.230 nan 4.420 nan 0.000 0.218 166 P C 1.720 178.697 177.300 -0.537 0.000 1.146 166 P CA 1.632 64.433 63.100 -0.499 0.000 0.813 166 P CB 0.228 31.537 31.700 -0.652 0.000 0.778 167 V N -1.490 117.830 119.914 -0.990 0.000 2.469 167 V HA -0.249 3.872 4.120 0.001 0.000 0.251 167 V C 2.023 177.826 176.094 -0.485 0.000 1.064 167 V CA 1.615 63.400 62.300 -0.858 0.000 1.066 167 V CB -1.348 29.750 31.823 -1.208 0.000 0.667 167 V HN 0.008 nan 8.190 nan 0.000 0.461 168 F N 0.582 120.271 119.950 -0.435 0.000 2.091 168 F HA -0.175 4.353 4.527 0.001 0.000 0.299 168 F C 2.546 177.938 175.800 -0.680 0.000 1.103 168 F CA 1.961 59.765 58.000 -0.326 0.000 1.228 168 F CB -0.938 37.947 39.000 -0.193 0.000 0.984 168 F HN 0.100 nan 8.300 nan 0.000 0.477 169 R N 0.609 120.668 120.500 -0.736 0.000 2.057 169 R HA -0.117 4.223 4.340 0.001 0.000 0.229 169 R C 2.086 177.948 176.300 -0.730 0.000 1.136 169 R CA 1.598 56.859 56.100 -1.400 0.000 0.952 169 R CB -0.279 29.469 30.300 -0.919 0.000 0.848 169 R HN 0.284 nan 8.270 nan 0.000 0.430 170 E N 0.361 120.293 120.200 -0.446 0.000 2.058 170 E HA -0.278 4.073 4.350 0.001 0.000 0.194 170 E C 2.105 178.571 176.600 -0.223 0.000 0.997 170 E CA 1.479 57.696 56.400 -0.305 0.000 0.801 170 E CB -0.103 29.423 29.700 -0.291 0.000 0.746 170 E HN 0.452 nan 8.360 nan 0.000 0.450 171 Q N 0.271 119.952 119.800 -0.198 0.000 2.119 171 Q HA -0.135 4.205 4.340 0.001 0.000 0.201 171 Q C 1.893 177.941 176.000 0.080 0.000 0.972 171 Q CA 1.668 57.433 55.803 -0.062 0.000 0.847 171 Q CB 0.121 28.873 28.738 0.023 0.000 0.903 171 Q HN 0.195 nan 8.270 nan 0.000 0.433 172 T N 0.734 115.310 114.554 0.037 0.000 2.857 172 T HA -0.052 4.299 4.350 0.001 0.000 0.266 172 T C 1.529 176.378 174.700 0.249 0.000 1.048 172 T CA 1.135 63.365 62.100 0.217 0.000 1.139 172 T CB 0.012 69.031 68.868 0.253 0.000 0.874 172 T HN 0.274 nan 8.240 nan 0.000 0.455 173 K N 0.042 120.474 120.400 0.053 0.000 2.155 173 K HA -0.016 4.304 4.320 0.001 0.000 0.203 173 K C 2.038 178.660 176.600 0.037 0.000 1.052 173 K CA 0.787 57.114 56.287 0.067 0.000 0.948 173 K CB -0.202 32.278 32.500 -0.034 0.000 0.728 173 K HN 0.360 nan 8.250 nan 0.000 0.448 174 Y N 0.788 120.990 120.300 -0.162 0.000 2.145 174 Y HA -0.128 4.423 4.550 0.001 0.000 0.286 174 Y C 0.360 176.072 175.900 -0.313 0.000 1.145 174 Y CA 1.115 59.026 58.100 -0.315 0.000 1.148 174 Y CB 0.029 38.158 38.460 -0.551 0.000 0.981 174 Y HN -0.179 nan 8.280 nan 0.000 0.507 175 F N 3.058 123.018 119.950 0.016 0.000 2.619 175 F HA 0.151 4.679 4.527 0.001 0.000 0.350 175 F C -0.037 175.807 175.800 0.072 0.000 1.259 175 F CA -1.277 56.712 58.000 -0.017 0.000 1.204 175 F CB -0.447 38.501 39.000 -0.087 0.000 1.556 175 F HN 0.125 nan 8.300 nan 0.000 0.650 176 D N 2.710 123.140 120.400 0.049 0.000 2.558 176 D HA 0.099 4.739 4.640 0.001 0.000 0.221 176 D C -0.119 176.148 176.300 -0.056 0.000 1.143 176 D CA -0.283 53.709 54.000 -0.014 0.000 1.010 176 D CB 0.143 40.908 40.800 -0.060 0.000 1.068 176 D HN 0.335 nan 8.370 nan 0.000 0.511 177 K N 1.042 121.359 120.400 -0.138 0.000 2.139 177 K HA 0.378 4.698 4.320 0.001 0.000 0.243 177 K C 0.196 176.579 176.600 -0.362 0.000 0.983 177 K CA -0.930 55.245 56.287 -0.187 0.000 0.890 177 K CB 1.779 34.256 32.500 -0.039 0.000 1.090 177 K HN 0.057 nan 8.250 nan 0.000 0.445 178 K N 0.177 120.455 120.400 -0.204 0.000 2.249 178 K HA 0.272 4.593 4.320 0.001 0.000 0.280 178 K C 0.613 177.103 176.600 -0.184 0.000 1.033 178 K CA 0.286 56.465 56.287 -0.180 0.000 0.946 178 K CB 1.046 33.492 32.500 -0.089 0.000 1.005 178 K HN 0.875 nan 8.250 nan 0.000 0.469 179 G N 1.670 110.366 108.800 -0.173 0.000 2.296 179 G HA2 -0.179 3.781 3.960 0.001 0.000 0.188 179 G HA3 -0.179 3.781 3.960 0.001 0.000 0.188 179 G C -0.814 174.092 174.900 0.010 0.000 1.000 179 G CA 0.065 45.130 45.100 -0.059 0.000 0.672 179 G HN 0.648 nan 8.290 nan 0.000 0.483 180 Y N -1.780 118.502 120.300 -0.030 0.000 2.638 180 Y HA 0.836 5.386 4.550 0.001 0.000 0.335 180 Y C -1.110 174.782 175.900 -0.013 0.000 1.155 180 Y CA -1.460 56.612 58.100 -0.046 0.000 1.046 180 Y CB 1.432 39.871 38.460 -0.035 0.000 1.303 180 Y HN 0.741 nan 8.280 nan 0.000 0.460 181 V N 2.281 122.298 119.914 0.171 0.000 2.971 181 V HA 0.356 4.476 4.120 0.001 0.000 0.309 181 V C -1.432 174.793 176.094 0.218 0.000 1.130 181 V CA -0.957 61.439 62.300 0.159 0.000 0.964 181 V CB 2.149 33.987 31.823 0.025 0.000 1.029 181 V HN 1.020 nan 8.190 nan 0.000 0.427 182 W N 6.427 127.798 121.300 0.119 0.000 2.381 182 W HA 0.441 5.102 4.660 0.001 0.000 0.321 182 W C 0.170 176.716 176.519 0.046 0.000 1.407 182 W CA 0.254 57.641 57.345 0.070 0.000 1.274 182 W CB 1.447 30.959 29.460 0.086 0.000 1.310 182 W HN 0.772 nan 8.180 nan 0.000 0.551 183 A N 5.555 127.870 122.820 -0.842 0.000 2.431 183 A HA 0.478 4.798 4.320 0.001 0.000 0.239 183 A C 0.846 178.138 177.584 -0.486 0.000 1.230 183 A CA 0.703 52.437 52.037 -0.507 0.000 0.928 183 A CB -0.357 18.368 19.000 -0.458 0.000 1.006 183 A HN 1.281 nan 8.150 nan 0.000 0.520 184 G N 0.603 108.672 108.800 -1.218 0.000 2.499 184 G HA2 -0.225 3.735 3.960 0.001 0.000 0.232 184 G HA3 -0.225 3.735 3.960 0.001 0.000 0.232 184 G C -0.184 174.620 174.900 -0.160 0.000 1.251 184 G CA -0.133 44.728 45.100 -0.399 0.000 0.917 184 G HN 0.792 nan 8.290 nan 0.000 0.580 185 N N 1.911 120.690 118.700 0.131 0.000 2.452 185 N HA 0.444 5.184 4.740 0.001 0.000 0.266 185 N C 1.560 177.127 175.510 0.095 0.000 1.209 185 N CA 1.237 54.369 53.050 0.137 0.000 0.929 185 N CB 1.042 39.586 38.487 0.095 0.000 1.063 185 N HN 1.333 nan 8.380 nan 0.000 0.472 186 A N 4.412 127.290 122.820 0.097 0.000 1.978 186 A HA -0.130 4.190 4.320 0.001 0.000 0.220 186 A C 2.100 179.751 177.584 0.112 0.000 1.170 186 A CA 1.855 53.982 52.037 0.149 0.000 0.636 186 A CB -0.906 18.154 19.000 0.101 0.000 0.810 186 A HN 0.799 nan 8.150 nan 0.000 0.448 187 A N 0.507 123.360 122.820 0.056 0.000 1.986 187 A HA -0.224 4.097 4.320 0.001 0.000 0.220 187 A C 1.716 179.240 177.584 -0.099 0.000 1.171 187 A CA 1.790 53.840 52.037 0.022 0.000 0.640 187 A CB -0.621 18.355 19.000 -0.041 0.000 0.811 187 A HN 0.572 nan 8.150 nan 0.000 0.451 188 N N -1.510 117.037 118.700 -0.255 0.000 2.512 188 N HA -0.063 4.677 4.740 0.001 0.000 0.183 188 N C 0.007 175.112 175.510 -0.675 0.000 1.073 188 N CA 0.982 53.710 53.050 -0.536 0.000 0.911 188 N CB -0.231 37.788 38.487 -0.780 0.000 0.964 188 N HN 0.706 nan 8.380 nan 0.000 0.447 189 Y N -1.020 119.205 120.300 -0.126 0.000 2.641 189 Y HA 0.169 4.720 4.550 0.001 0.000 0.248 189 Y C 1.758 177.506 175.900 -0.254 0.000 1.170 189 Y CA -0.525 57.426 58.100 -0.250 0.000 1.201 189 Y CB -0.225 37.969 38.460 -0.443 0.000 1.232 189 Y HN -0.173 nan 8.280 nan 0.000 0.537 190 V N -1.391 118.489 119.914 -0.056 0.000 2.469 190 V HA -0.261 3.860 4.120 0.001 0.000 0.251 190 V C 1.070 177.126 176.094 -0.064 0.000 1.064 190 V CA 2.152 64.421 62.300 -0.052 0.000 1.066 190 V CB -0.293 31.514 31.823 -0.025 0.000 0.667 190 V HN 0.476 nan 8.190 nan 0.000 0.461 191 N N 1.598 120.261 118.700 -0.062 0.000 2.279 191 N HA 0.210 4.950 4.740 0.001 0.000 0.226 191 N C 0.439 175.919 175.510 -0.050 0.000 1.126 191 N CA 0.489 53.510 53.050 -0.049 0.000 0.846 191 N CB 0.929 39.396 38.487 -0.034 0.000 1.050 191 N HN 0.655 nan 8.380 nan 0.000 0.502 192 V N -1.140 118.720 119.914 -0.090 0.000 2.872 192 V HA 0.078 4.199 4.120 0.001 0.000 0.307 192 V C 1.444 177.516 176.094 -0.037 0.000 1.072 192 V CA -0.138 62.116 62.300 -0.076 0.000 1.148 192 V CB 0.957 32.643 31.823 -0.229 0.000 0.954 192 V HN 0.004 nan 8.190 nan 0.000 0.490 193 S N 2.558 118.264 115.700 0.010 0.000 2.423 193 S HA -0.061 4.409 4.470 0.001 0.000 0.231 193 S C 0.846 175.462 174.600 0.027 0.000 1.014 193 S CA 1.404 59.614 58.200 0.017 0.000 0.965 193 S CB -0.535 62.681 63.200 0.027 0.000 0.785 193 S HN 1.071 nan 8.310 nan 0.000 0.495 194 N N 0.520 119.256 118.700 0.060 0.000 2.818 194 N HA 0.236 4.977 4.740 0.001 0.000 0.301 194 N C -2.469 173.127 175.510 0.143 0.000 1.821 194 N CA -1.908 51.194 53.050 0.087 0.000 0.930 194 N CB 0.474 39.021 38.487 0.100 0.000 1.263 194 N HN 0.143 nan 8.380 nan 0.000 0.487 195 P HA -0.142 nan 4.420 nan 0.000 0.226 195 P C 0.925 178.312 177.300 0.145 0.000 1.153 195 P CA 1.018 64.171 63.100 0.088 0.000 0.777 195 P CB 0.434 32.126 31.700 -0.014 0.000 0.794 196 E N 1.052 121.304 120.200 0.086 0.000 2.409 196 E HA -0.192 4.158 4.350 0.001 0.000 0.198 196 E C 1.335 177.955 176.600 0.034 0.000 1.024 196 E CA 0.909 57.339 56.400 0.050 0.000 0.861 196 E CB -0.780 28.934 29.700 0.023 0.000 0.788 196 E HN 0.394 nan 8.360 nan 0.000 0.521 197 Q N -0.317 119.517 119.800 0.056 0.000 2.444 197 Q HA 0.065 4.405 4.340 0.001 0.000 0.206 197 Q C -0.493 175.335 176.000 -0.287 0.000 0.948 197 Q CA 0.200 55.947 55.803 -0.094 0.000 0.946 197 Q CB 0.064 28.720 28.738 -0.137 0.000 1.027 197 Q HN 0.271 nan 8.270 nan 0.000 0.513 198 Y N 0.126 120.353 120.300 -0.121 0.000 2.331 198 Y HA 0.361 4.912 4.550 0.001 0.000 0.338 198 Y C -0.106 175.706 175.900 -0.148 0.000 0.992 198 Y CA -0.926 57.073 58.100 -0.169 0.000 1.121 198 Y CB 1.027 39.375 38.460 -0.187 0.000 1.184 198 Y HN -0.067 nan 8.280 nan 0.000 0.469 199 I N 3.552 124.061 120.570 -0.101 0.000 2.306 199 I HA 0.206 4.377 4.170 0.001 0.000 0.288 199 I C -0.237 175.795 176.117 -0.143 0.000 1.036 199 I CA -0.373 60.854 61.300 -0.121 0.000 1.221 199 I CB 0.924 38.826 38.000 -0.163 0.000 1.385 199 I HN 0.581 nan 8.210 nan 0.000 0.472 200 E N 7.555 127.676 120.200 -0.132 0.000 2.109 200 E HA 0.313 4.664 4.350 0.001 0.000 0.278 200 E C -0.696 175.745 176.600 -0.265 0.000 0.954 200 E CA -0.897 55.400 56.400 -0.172 0.000 0.779 200 E CB 0.857 30.484 29.700 -0.122 0.000 1.093 200 E HN 0.403 nan 8.360 nan 0.000 0.401 201 M N 4.120 123.512 119.600 -0.348 0.000 2.194 201 M HA 0.190 4.670 4.480 0.001 0.000 0.347 201 M C -0.713 175.365 176.300 -0.369 0.000 1.439 201 M CA -0.431 54.571 55.300 -0.496 0.000 1.131 201 M CB 0.642 32.655 32.600 -0.978 0.000 1.733 201 M HN 0.229 nan 8.290 nan 0.000 0.467 202 V N 4.048 123.712 119.914 -0.416 0.000 2.384 202 V HA 0.422 4.542 4.120 0.001 0.000 0.287 202 V C 0.159 176.109 176.094 -0.240 0.000 1.020 202 V CA -0.546 61.504 62.300 -0.418 0.000 0.850 202 V CB 1.765 33.024 31.823 -0.941 0.000 0.987 202 V HN 0.841 nan 8.190 nan 0.000 0.436 203 T N 3.372 117.903 114.554 -0.038 0.000 2.770 203 T HA 0.517 4.867 4.350 0.001 0.000 0.283 203 T C -0.198 174.508 174.700 0.010 0.000 0.988 203 T CA -0.416 61.725 62.100 0.068 0.000 0.957 203 T CB 1.295 70.303 68.868 0.234 0.000 0.930 203 T HN 0.596 nan 8.240 nan 0.000 0.443 204 S N 4.169 119.864 115.700 -0.008 0.000 2.750 204 S HA 0.503 4.974 4.470 0.001 0.000 0.276 204 S C -2.871 171.708 174.600 -0.036 0.000 1.165 204 S CA -1.371 56.794 58.200 -0.058 0.000 1.047 204 S CB 0.809 63.931 63.200 -0.130 0.000 1.056 204 S HN 0.271 nan 8.310 nan 0.000 0.481 205 P HA 0.131 nan 4.420 nan 0.000 0.267 205 P C -0.441 176.866 177.300 0.012 0.000 1.200 205 P CA -0.169 62.958 63.100 0.044 0.000 0.772 205 P CB 0.313 32.059 31.700 0.078 0.000 0.855 206 N N 2.301 120.976 118.700 -0.040 0.000 2.508 206 N HA 0.026 4.767 4.740 0.001 0.000 0.264 206 N C -0.203 175.211 175.510 -0.160 0.000 1.216 206 N CA 0.048 53.070 53.050 -0.047 0.000 0.943 206 N CB 0.008 38.471 38.487 -0.040 0.000 1.113 206 N HN 0.233 nan 8.380 nan 0.000 0.447 207 N N 3.011 121.639 118.700 -0.120 0.000 2.437 207 N HA 0.347 5.088 4.740 0.001 0.000 0.259 207 N C -2.212 173.151 175.510 -0.245 0.000 0.983 207 N CA -2.083 50.833 53.050 -0.223 0.000 0.937 207 N CB 1.486 39.905 38.487 -0.114 0.000 1.122 207 N HN 0.430 nan 8.380 nan 0.000 0.499 208 P HA 0.065 nan 4.420 nan 0.000 0.242 208 P C 0.561 177.554 177.300 -0.512 0.000 1.176 208 P CA 0.486 63.103 63.100 -0.804 0.000 0.859 208 P CB 0.556 31.286 31.700 -1.617 0.000 1.010 209 E N 0.703 120.603 120.200 -0.500 0.000 2.400 209 E HA 0.076 4.427 4.350 0.001 0.000 0.195 209 E C 1.262 177.789 176.600 -0.122 0.000 1.012 209 E CA 1.187 57.451 56.400 -0.226 0.000 0.875 209 E CB -1.027 28.580 29.700 -0.155 0.000 0.859 209 E HN 0.219 nan 8.360 nan 0.000 0.498 210 G N 1.254 109.960 108.800 -0.157 0.000 2.141 210 G HA2 -0.227 3.733 3.960 0.001 0.000 0.231 210 G HA3 -0.227 3.733 3.960 0.001 0.000 0.231 210 G C 0.021 174.887 174.900 -0.058 0.000 0.984 210 G CA 0.258 45.280 45.100 -0.129 0.000 0.660 210 G HN 0.233 nan 8.290 nan 0.000 0.525 211 L N 0.657 121.857 121.223 -0.038 0.000 2.418 211 L HA 0.555 4.896 4.340 0.001 0.000 0.265 211 L C 1.370 178.241 176.870 0.002 0.000 1.143 211 L CA -0.931 53.910 54.840 0.002 0.000 0.809 211 L CB 0.789 42.858 42.059 0.016 0.000 1.124 211 L HN 0.051 nan 8.230 nan 0.000 0.456 212 L N 2.599 123.838 121.223 0.026 0.000 2.452 212 L HA 0.408 4.749 4.340 0.001 0.000 0.267 212 L C 0.085 176.952 176.870 -0.004 0.000 1.188 212 L CA -0.151 54.693 54.840 0.006 0.000 0.821 212 L CB 0.419 42.508 42.059 0.050 0.000 1.102 212 L HN 0.629 nan 8.230 nan 0.000 0.470 213 R N 0.942 121.397 120.500 -0.075 0.000 2.707 213 R HA 0.546 4.886 4.340 0.001 0.000 0.272 213 R C -1.303 174.885 176.300 -0.187 0.000 1.011 213 R CA -1.010 55.043 56.100 -0.079 0.000 0.893 213 R CB 2.399 32.646 30.300 -0.088 0.000 1.233 213 R HN 0.588 nan 8.270 nan 0.000 0.464 214 H N -0.267 118.828 119.070 0.041 0.000 2.855 214 H HA 0.432 4.989 4.556 0.001 0.000 0.363 214 H C -0.400 174.908 175.328 -0.032 0.000 1.185 214 H CA -0.813 55.305 56.048 0.117 0.000 1.174 214 H CB 2.109 31.930 29.762 0.099 0.000 1.857 214 H HN 0.743 nan 8.280 nan 0.000 0.565 215 A N 0.965 123.842 122.820 0.096 0.000 2.565 215 A HA 0.107 4.428 4.320 0.001 0.000 0.237 215 A C 1.429 179.018 177.584 0.009 0.000 1.053 215 A CA 0.370 52.391 52.037 -0.027 0.000 0.755 215 A CB -0.135 18.862 19.000 -0.005 0.000 0.980 215 A HN 0.561 nan 8.150 nan 0.000 0.506 216 V N 1.236 121.143 119.914 -0.011 0.000 3.471 216 V HA 0.273 4.394 4.120 0.001 0.000 0.258 216 V C 0.710 176.802 176.094 -0.004 0.000 1.192 216 V CA 0.572 62.873 62.300 0.002 0.000 1.116 216 V CB -0.696 31.148 31.823 0.035 0.000 0.792 216 V HN 0.563 nan 8.190 nan 0.000 0.459 217 I N 2.730 123.290 120.570 -0.017 0.000 2.291 217 I HA 0.329 4.500 4.170 0.001 0.000 0.290 217 I C 0.152 176.251 176.117 -0.030 0.000 1.050 217 I CA -0.409 60.864 61.300 -0.045 0.000 1.245 217 I CB 0.728 38.675 38.000 -0.088 0.000 1.405 217 I HN 0.020 nan 8.210 nan 0.000 0.478 218 K N 4.767 125.150 120.400 -0.028 0.000 2.412 218 K HA 0.162 4.483 4.320 0.001 0.000 0.281 218 K C 1.091 177.682 176.600 -0.015 0.000 1.027 218 K CA 0.516 56.793 56.287 -0.017 0.000 0.989 218 K CB 0.768 33.256 32.500 -0.021 0.000 0.935 218 K HN 0.959 nan 8.250 nan 0.000 0.475 219 G N 1.554 110.352 108.800 -0.002 0.000 2.159 219 G HA2 -0.319 3.642 3.960 0.001 0.000 0.256 219 G HA3 -0.319 3.642 3.960 0.001 0.000 0.256 219 G C 0.614 175.522 174.900 0.014 0.000 0.977 219 G CA 0.329 45.431 45.100 0.004 0.000 0.652 219 G HN 0.821 nan 8.290 nan 0.000 0.531 220 C N -0.509 118.800 119.300 0.014 0.000 2.639 220 C HA 0.705 5.166 4.460 0.001 0.000 0.360 220 C C 0.949 175.951 174.990 0.020 0.000 1.351 220 C CA -1.089 57.946 59.018 0.028 0.000 2.408 220 C CB 0.511 28.264 27.740 0.020 0.000 2.517 220 C HN 0.458 nan 8.230 nan 0.000 0.696 221 K N 2.320 122.726 120.400 0.009 0.000 2.250 221 K HA 0.341 4.662 4.320 0.001 0.000 0.285 221 K C 0.287 176.871 176.600 -0.028 0.000 1.097 221 K CA 0.302 56.584 56.287 -0.008 0.000 0.913 221 K CB 0.642 33.126 32.500 -0.027 0.000 1.179 221 K HN 0.898 nan 8.250 nan 0.000 0.462 222 S N 2.728 118.428 115.700 0.000 0.000 2.617 222 S HA 0.551 5.022 4.470 0.001 0.000 0.283 222 S C 0.087 174.673 174.600 -0.023 0.000 1.189 222 S CA -0.914 57.263 58.200 -0.039 0.000 1.036 222 S CB 1.125 64.334 63.200 0.016 0.000 1.014 222 S HN 0.414 nan 8.310 nan 0.000 0.522 223 I N 2.069 122.564 120.570 -0.126 0.000 2.410 223 I HA 0.269 4.439 4.170 0.001 0.000 0.286 223 I C -1.426 174.594 176.117 -0.162 0.000 1.009 223 I CA -0.636 60.608 61.300 -0.094 0.000 1.111 223 I CB 1.188 39.096 38.000 -0.153 0.000 1.262 223 I HN 0.649 nan 8.210 nan 0.000 0.443 224 Y N 4.263 124.485 120.300 -0.130 0.000 2.404 224 Y HA 0.166 4.717 4.550 0.001 0.000 0.344 224 Y C 0.436 176.217 175.900 -0.199 0.000 0.970 224 Y CA -0.388 57.618 58.100 -0.157 0.000 1.180 224 Y CB 0.574 38.934 38.460 -0.166 0.000 1.138 224 Y HN 0.425 nan 8.280 nan 0.000 0.510 225 D N 5.182 125.535 120.400 -0.079 0.000 2.422 225 D HA 0.106 4.746 4.640 0.001 0.000 0.227 225 D C -0.038 176.178 176.300 -0.140 0.000 1.190 225 D CA -0.087 53.865 54.000 -0.080 0.000 0.905 225 D CB 0.683 41.547 40.800 0.106 0.000 1.034 225 D HN 0.431 nan 8.370 nan 0.000 0.507 226 M N 4.235 123.608 119.600 -0.379 0.000 2.738 226 M HA 0.018 4.499 4.480 0.001 0.000 0.295 226 M C 1.667 177.771 176.300 -0.326 0.000 1.266 226 M CA -0.179 54.864 55.300 -0.427 0.000 0.985 226 M CB -0.213 31.888 32.600 -0.831 0.000 1.365 226 M HN 0.275 nan 8.290 nan 0.000 0.492 227 V N -1.928 117.852 119.914 -0.223 0.000 2.594 227 V HA -0.189 3.931 4.120 0.001 0.000 0.253 227 V C 1.292 177.371 176.094 -0.026 0.000 1.069 227 V CA 1.602 63.810 62.300 -0.154 0.000 1.082 227 V CB -1.301 30.320 31.823 -0.337 0.000 0.680 227 V HN 0.441 nan 8.190 nan 0.000 0.469 228 Y N -1.599 118.785 120.300 0.140 0.000 2.468 228 Y HA 0.378 4.928 4.550 0.001 0.000 0.268 228 Y C 1.052 177.182 175.900 0.385 0.000 1.177 228 Y CA -0.804 57.386 58.100 0.151 0.000 1.265 228 Y CB -0.145 38.210 38.460 -0.176 0.000 1.103 228 Y HN 0.293 nan 8.280 nan 0.000 0.522 229 Y N 0.636 121.010 120.300 0.123 0.000 2.735 229 Y HA 0.246 4.797 4.550 0.001 0.000 0.354 229 Y C -1.221 174.425 175.900 -0.423 0.000 1.288 229 Y CA -1.384 56.657 58.100 -0.099 0.000 1.836 229 Y CB -0.845 37.517 38.460 -0.164 0.000 1.920 229 Y HN 0.064 nan 8.280 nan 0.000 0.438 230 W N 3.640 124.976 121.300 0.060 0.000 3.083 230 W HA 0.354 5.015 4.660 0.001 0.000 0.333 230 W C -1.781 174.595 176.519 -0.239 0.000 1.217 230 W CA -2.148 55.089 57.345 -0.180 0.000 1.170 230 W CB 1.011 30.453 29.460 -0.031 0.000 1.437 230 W HN 0.049 nan 8.180 nan 0.000 0.557 231 P HA -0.245 nan 4.420 nan 0.000 0.221 231 P C 1.302 178.626 177.300 0.041 0.000 1.145 231 P CA 1.768 64.748 63.100 -0.199 0.000 0.795 231 P CB 0.103 31.476 31.700 -0.546 0.000 0.775 232 H N -1.986 117.089 119.070 0.007 0.000 2.394 232 H HA -0.159 4.398 4.556 0.001 0.000 0.297 232 H C 1.251 176.453 175.328 -0.209 0.000 1.113 232 H CA 1.526 57.455 56.048 -0.198 0.000 1.277 232 H CB -0.885 28.419 29.762 -0.763 0.000 1.370 232 H HN 0.353 nan 8.280 nan 0.000 0.506 233 Y N -0.773 119.730 120.300 0.338 0.000 2.483 233 Y HA 0.282 4.832 4.550 0.001 0.000 0.258 233 Y C 1.051 177.011 175.900 0.100 0.000 1.083 233 Y CA 0.262 58.480 58.100 0.196 0.000 1.283 233 Y CB 0.936 39.548 38.460 0.254 0.000 1.178 233 Y HN -0.004 nan 8.280 nan 0.000 0.515 234 T N 0.982 115.662 114.554 0.209 0.000 2.885 234 T HA 0.340 4.691 4.350 0.001 0.000 0.322 234 T C -3.158 171.539 174.700 -0.005 0.000 1.387 234 T CA -1.973 60.191 62.100 0.106 0.000 1.041 234 T CB 1.506 70.473 68.868 0.166 0.000 1.287 234 T HN -0.332 nan 8.240 nan 0.000 0.491 235 P HA 0.246 nan 4.420 nan 0.000 0.269 235 P C -0.424 176.797 177.300 -0.132 0.000 1.209 235 P CA -0.407 62.651 63.100 -0.070 0.000 0.776 235 P CB 0.283 31.971 31.700 -0.021 0.000 0.876 236 I N 3.847 124.276 120.570 -0.235 0.000 2.256 236 I HA 0.125 4.295 4.170 0.001 0.000 0.294 236 I C 1.561 177.590 176.117 -0.147 0.000 1.127 236 I CA 0.008 61.098 61.300 -0.350 0.000 1.247 236 I CB -0.266 37.482 38.000 -0.421 0.000 1.460 236 I HN 0.307 nan 8.210 nan 0.000 0.511 237 K N 5.383 125.707 120.400 -0.127 0.000 2.400 237 K HA 0.062 4.383 4.320 0.001 0.000 0.194 237 K C -0.599 176.084 176.600 0.139 0.000 1.033 237 K CA 0.698 56.992 56.287 0.013 0.000 1.021 237 K CB 0.283 32.825 32.500 0.070 0.000 0.808 237 K HN 0.621 nan 8.250 nan 0.000 0.505 238 Y N -2.119 118.301 120.300 0.199 0.000 2.687 238 Y HA 0.287 4.838 4.550 0.001 0.000 0.338 238 Y C -1.170 174.831 175.900 0.168 0.000 1.189 238 Y CA -1.765 56.422 58.100 0.145 0.000 1.097 238 Y CB 0.596 39.123 38.460 0.110 0.000 1.342 238 Y HN -0.348 nan 8.280 nan 0.000 0.461 239 K N 2.197 122.782 120.400 0.308 0.000 2.310 239 K HA 0.717 5.038 4.320 0.001 0.000 0.290 239 K C -0.086 176.670 176.600 0.260 0.000 1.077 239 K CA -0.118 56.295 56.287 0.209 0.000 0.922 239 K CB 0.508 33.074 32.500 0.109 0.000 1.057 239 K HN 0.931 nan 8.250 nan 0.000 0.479 240 A N 4.019 126.996 122.820 0.261 0.000 2.511 240 A HA 0.066 4.387 4.320 0.001 0.000 0.242 240 A C -0.364 177.228 177.584 0.014 0.000 1.069 240 A CA 0.161 52.279 52.037 0.134 0.000 0.763 240 A CB 0.265 19.284 19.000 0.031 0.000 1.001 240 A HN 0.830 nan 8.150 nan 0.000 0.498 241 D N 1.486 121.843 120.400 -0.073 0.000 2.319 241 D HA 0.357 4.998 4.640 0.001 0.000 0.237 241 D C -0.873 175.329 176.300 -0.164 0.000 1.353 241 D CA -0.162 53.784 54.000 -0.089 0.000 0.992 241 D CB 0.471 41.238 40.800 -0.056 0.000 1.368 241 D HN 0.498 nan 8.370 nan 0.000 0.564 242 E N 1.782 121.876 120.200 -0.176 0.000 2.449 242 E HA 0.224 4.575 4.350 0.001 0.000 0.278 242 E C 0.208 176.759 176.600 -0.081 0.000 0.992 242 E CA -0.531 55.743 56.400 -0.210 0.000 0.807 242 E CB 1.167 30.576 29.700 -0.486 0.000 1.350 242 E HN 0.128 nan 8.360 nan 0.000 0.462 243 D N 0.201 120.585 120.400 -0.027 0.000 2.144 243 D HA 0.021 4.661 4.640 0.001 0.000 0.199 243 D C 0.377 176.701 176.300 0.041 0.000 0.984 243 D CA 1.395 55.405 54.000 0.018 0.000 0.834 243 D CB 0.363 41.183 40.800 0.035 0.000 0.955 243 D HN 0.276 nan 8.370 nan 0.000 0.465 244 I N 0.737 121.340 120.570 0.055 0.000 2.500 244 I HA 0.235 4.405 4.170 0.001 0.000 0.286 244 I C -1.005 175.146 176.117 0.058 0.000 1.063 244 I CA -0.454 60.883 61.300 0.063 0.000 1.062 244 I CB 2.261 40.293 38.000 0.053 0.000 1.223 244 I HN -0.306 nan 8.210 nan 0.000 0.435 245 L N 6.813 128.059 121.223 0.038 0.000 2.341 245 L HA 0.641 4.982 4.340 0.001 0.000 0.278 245 L C -0.840 175.980 176.870 -0.083 0.000 1.005 245 L CA -0.656 54.160 54.840 -0.040 0.000 0.818 245 L CB 2.068 44.135 42.059 0.014 0.000 1.259 245 L HN 0.397 nan 8.230 nan 0.000 0.418 246 L N 2.922 123.965 121.223 -0.300 0.000 2.346 246 L HA 0.642 4.983 4.340 0.001 0.000 0.276 246 L C -1.091 175.356 176.870 -0.705 0.000 1.006 246 L CA -0.375 54.277 54.840 -0.313 0.000 0.817 246 L CB 1.774 43.725 42.059 -0.181 0.000 1.272 246 L HN 0.370 nan 8.230 nan 0.000 0.421 247 F N -0.133 119.549 119.950 -0.446 0.000 2.613 247 F HA 0.665 5.193 4.527 0.001 0.000 0.314 247 F C 0.151 175.446 175.800 -0.842 0.000 1.075 247 F CA -0.627 57.015 58.000 -0.596 0.000 0.945 247 F CB 2.520 41.094 39.000 -0.710 0.000 1.310 247 F HN 0.262 nan 8.300 nan 0.000 0.467 248 T N 1.427 115.783 114.554 -0.329 0.000 2.900 248 T HA 0.326 4.676 4.350 0.001 0.000 0.303 248 T C 0.592 175.291 174.700 -0.002 0.000 1.142 248 T CA -0.642 61.318 62.100 -0.233 0.000 1.007 248 T CB 1.244 70.053 68.868 -0.099 0.000 1.156 248 T HN 0.526 nan 8.240 nan 0.000 0.490 249 M N 1.822 121.521 119.600 0.164 0.000 2.296 249 M HA -0.010 4.470 4.480 0.001 0.000 0.265 249 M C 2.367 178.774 176.300 0.177 0.000 1.064 249 M CA 1.181 56.643 55.300 0.269 0.000 1.109 249 M CB -1.500 31.287 32.600 0.312 0.000 1.396 249 M HN 0.621 nan 8.290 nan 0.000 0.430 250 S N 0.746 116.518 115.700 0.121 0.000 2.374 250 S HA -0.126 4.345 4.470 0.001 0.000 0.227 250 S C 1.860 176.520 174.600 0.099 0.000 1.037 250 S CA 1.264 59.517 58.200 0.088 0.000 1.024 250 S CB -0.080 63.152 63.200 0.053 0.000 0.861 250 S HN 0.387 nan 8.310 nan 0.000 0.456 251 K N -0.384 120.085 120.400 0.114 0.000 2.352 251 K HA 0.280 4.601 4.320 0.001 0.000 0.194 251 K C 1.392 178.244 176.600 0.420 0.000 1.038 251 K CA 0.119 56.539 56.287 0.221 0.000 1.023 251 K CB -0.158 32.314 32.500 -0.046 0.000 0.840 251 K HN 0.395 nan 8.250 nan 0.000 0.519 252 F N 2.049 122.023 119.950 0.041 0.000 2.274 252 F HA -0.067 4.461 4.527 0.001 0.000 0.288 252 F C 2.010 177.796 175.800 -0.023 0.000 1.069 252 F CA 1.608 59.471 58.000 -0.228 0.000 1.343 252 F CB -0.254 38.238 39.000 -0.847 0.000 1.089 252 F HN 0.005 nan 8.300 nan 0.000 0.517 253 T N -3.361 111.096 114.554 -0.162 0.000 3.001 253 T HA 0.385 4.735 4.350 0.001 0.000 0.251 253 T C 1.599 176.292 174.700 -0.012 0.000 1.040 253 T CA 0.521 62.576 62.100 -0.076 0.000 0.985 253 T CB 0.083 69.035 68.868 0.141 0.000 1.011 253 T HN 0.674 nan 8.240 nan 0.000 0.509 254 G N 1.381 110.140 108.800 -0.067 0.000 2.176 254 G HA2 -0.238 3.723 3.960 0.001 0.000 0.253 254 G HA3 -0.238 3.723 3.960 0.001 0.000 0.253 254 G C -0.035 174.735 174.900 -0.217 0.000 0.979 254 G CA 0.110 45.124 45.100 -0.143 0.000 0.641 254 G HN 0.700 nan 8.290 nan 0.000 0.530 255 H N 1.350 120.383 119.070 -0.062 0.000 2.966 255 H HA 0.477 5.034 4.556 0.001 0.000 0.217 255 H C 1.849 177.166 175.328 -0.018 0.000 1.906 255 H CA 0.545 56.540 56.048 -0.088 0.000 1.351 255 H CB 0.372 30.033 29.762 -0.169 0.000 1.722 255 H HN 0.264 nan 8.280 nan 0.000 0.562 256 S N 0.445 116.173 115.700 0.047 0.000 2.382 256 S HA -0.156 4.314 4.470 0.001 0.000 0.228 256 S C 2.538 177.174 174.600 0.060 0.000 1.027 256 S CA 1.132 59.371 58.200 0.064 0.000 0.991 256 S CB -0.165 63.070 63.200 0.057 0.000 0.823 256 S HN 0.814 nan 8.310 nan 0.000 0.469 257 G N 0.932 109.750 108.800 0.031 0.000 2.471 257 G HA2 -0.119 3.842 3.960 0.001 0.000 0.219 257 G HA3 -0.119 3.842 3.960 0.001 0.000 0.219 257 G C 1.409 176.323 174.900 0.024 0.000 1.125 257 G CA 0.847 45.953 45.100 0.011 0.000 0.775 257 G HN 0.511 nan 8.290 nan 0.000 0.548 258 S N 0.334 116.065 115.700 0.052 0.000 2.447 258 S HA -0.003 4.468 4.470 0.001 0.000 0.233 258 S C 0.965 175.632 174.600 0.112 0.000 1.006 258 S CA 0.155 58.387 58.200 0.054 0.000 0.957 258 S CB -0.038 63.190 63.200 0.046 0.000 0.773 258 S HN 0.420 nan 8.310 nan 0.000 0.507 259 R N -0.160 120.416 120.500 0.127 0.000 3.079 259 R HA -0.161 4.179 4.340 0.001 0.000 0.254 259 R C -1.071 175.363 176.300 0.223 0.000 0.900 259 R CA 0.437 56.623 56.100 0.143 0.000 0.641 259 R CB -2.665 27.702 30.300 0.112 0.000 1.307 259 R HN 0.415 nan 8.270 nan 0.000 0.477 260 F N -0.446 119.549 119.950 0.076 0.000 2.612 260 F HA 0.637 5.165 4.527 0.001 0.000 0.332 260 F C 0.339 176.227 175.800 0.147 0.000 1.167 260 F CA -0.122 57.937 58.000 0.099 0.000 0.970 260 F CB 1.788 40.818 39.000 0.050 0.000 1.234 260 F HN 0.281 nan 8.300 nan 0.000 0.453 261 G N 3.406 111.953 108.800 -0.422 0.000 2.730 261 G HA2 0.634 4.595 3.960 0.001 0.000 0.289 261 G HA3 0.634 4.595 3.960 0.001 0.000 0.289 261 G C -2.328 172.473 174.900 -0.166 0.000 1.341 261 G CA -0.809 44.124 45.100 -0.279 0.000 0.932 261 G HN 0.786 nan 8.290 nan 0.000 0.481 262 W N -1.290 119.993 121.300 -0.028 0.000 3.107 262 W HA 0.817 5.478 4.660 0.001 0.000 0.331 262 W C -0.503 176.148 176.519 0.221 0.000 1.204 262 W CA -1.588 55.850 57.345 0.155 0.000 1.184 262 W CB 1.627 31.263 29.460 0.293 0.000 1.421 262 W HN 0.806 nan 8.180 nan 0.000 0.544 263 A N 3.224 126.307 122.820 0.438 0.000 2.331 263 A HA 0.824 5.144 4.320 0.001 0.000 0.320 263 A C -1.450 176.354 177.584 0.367 0.000 1.138 263 A CA -0.973 51.242 52.037 0.298 0.000 0.790 263 A CB 0.852 19.969 19.000 0.195 0.000 1.206 263 A HN 0.775 nan 8.150 nan 0.000 0.470 264 L N 3.304 124.715 121.223 0.314 0.000 2.287 264 L HA 0.562 4.903 4.340 0.001 0.000 0.287 264 L C -0.818 176.145 176.870 0.156 0.000 1.022 264 L CA -0.093 54.890 54.840 0.238 0.000 0.814 264 L CB 1.076 43.271 42.059 0.226 0.000 1.217 264 L HN 0.582 nan 8.230 nan 0.000 0.420 265 I N 3.051 123.712 120.570 0.152 0.000 2.498 265 I HA 0.259 4.430 4.170 0.001 0.000 0.290 265 I C 0.637 176.855 176.117 0.168 0.000 1.032 265 I CA -0.494 60.899 61.300 0.155 0.000 1.073 265 I CB 2.502 40.625 38.000 0.205 0.000 1.251 265 I HN 0.592 nan 8.210 nan 0.000 0.426 266 K N 1.678 122.151 120.400 0.121 0.000 2.137 266 K HA -0.011 4.310 4.320 0.001 0.000 0.202 266 K C 0.340 177.059 176.600 0.199 0.000 1.052 266 K CA 0.653 57.008 56.287 0.113 0.000 0.961 266 K CB 0.126 32.656 32.500 0.049 0.000 0.741 266 K HN 0.489 nan 8.250 nan 0.000 0.452 267 D N 1.612 122.104 120.400 0.154 0.000 2.316 267 D HA -0.030 4.611 4.640 0.001 0.000 0.245 267 D C 0.559 176.900 176.300 0.069 0.000 1.171 267 D CA 0.197 54.263 54.000 0.109 0.000 0.856 267 D CB 1.372 42.207 40.800 0.059 0.000 1.090 267 D HN 0.093 nan 8.370 nan 0.000 0.476 268 E N 2.144 122.365 120.200 0.035 0.000 2.160 268 E HA -0.219 4.132 4.350 0.001 0.000 0.195 268 E C 1.515 178.065 176.600 -0.083 0.000 0.991 268 E CA 1.333 57.618 56.400 -0.191 0.000 0.810 268 E CB 0.292 29.945 29.700 -0.080 0.000 0.742 268 E HN 0.546 nan 8.360 nan 0.000 0.466 269 S N -0.468 115.217 115.700 -0.025 0.000 2.383 269 S HA -0.110 4.361 4.470 0.001 0.000 0.227 269 S C 2.088 176.674 174.600 -0.023 0.000 1.026 269 S CA 1.093 59.279 58.200 -0.024 0.000 0.981 269 S CB -0.412 62.781 63.200 -0.012 0.000 0.818 269 S HN 0.142 nan 8.310 nan 0.000 0.472 270 V N 1.065 120.979 119.914 -0.001 0.000 2.295 270 V HA -0.141 3.980 4.120 0.001 0.000 0.246 270 V C 2.297 178.406 176.094 0.025 0.000 1.049 270 V CA 2.008 64.312 62.300 0.007 0.000 1.024 270 V CB -1.142 30.696 31.823 0.024 0.000 0.648 270 V HN 0.606 nan 8.190 nan 0.000 0.447 271 Y N 2.152 122.376 120.300 -0.127 0.000 2.128 271 Y HA -0.266 4.285 4.550 0.001 0.000 0.284 271 Y C 2.480 178.299 175.900 -0.134 0.000 1.154 271 Y CA 2.114 60.117 58.100 -0.161 0.000 1.149 271 Y CB -0.522 37.689 38.460 -0.416 0.000 0.976 271 Y HN 0.287 nan 8.280 nan 0.000 0.505 272 N N 0.564 119.111 118.700 -0.254 0.000 2.188 272 N HA -0.170 4.570 4.740 0.001 0.000 0.184 272 N C 1.370 176.768 175.510 -0.187 0.000 1.018 272 N CA 1.360 54.225 53.050 -0.308 0.000 0.858 272 N CB -0.559 37.828 38.487 -0.167 0.000 0.989 272 N HN 0.446 nan 8.380 nan 0.000 0.426 273 N N 0.879 119.516 118.700 -0.106 0.000 2.188 273 N HA -0.090 4.651 4.740 0.001 0.000 0.184 273 N C 1.706 177.197 175.510 -0.031 0.000 1.018 273 N CA 0.355 53.372 53.050 -0.055 0.000 0.858 273 N CB -0.426 38.036 38.487 -0.042 0.000 0.989 273 N HN 0.165 nan 8.380 nan 0.000 0.426 274 L N 0.962 122.155 121.223 -0.050 0.000 2.109 274 L HA 0.069 4.410 4.340 0.001 0.000 0.207 274 L C 1.915 178.802 176.870 0.029 0.000 1.086 274 L CA 1.033 55.875 54.840 0.004 0.000 0.760 274 L CB -0.497 41.567 42.059 0.008 0.000 0.910 274 L HN 0.102 nan 8.230 nan 0.000 0.437 275 L N -0.436 120.717 121.223 -0.117 0.000 2.042 275 L HA -0.255 4.085 4.340 0.001 0.000 0.210 275 L C 2.389 179.256 176.870 -0.004 0.000 1.076 275 L CA 1.554 56.330 54.840 -0.106 0.000 0.749 275 L CB -0.805 41.068 42.059 -0.310 0.000 0.893 275 L HN 0.402 nan 8.230 nan 0.000 0.432 276 N N -0.183 118.505 118.700 -0.020 0.000 2.084 276 N HA -0.279 4.461 4.740 0.001 0.000 0.190 276 N C 1.854 177.394 175.510 0.050 0.000 1.030 276 N CA 1.496 54.554 53.050 0.013 0.000 0.849 276 N CB -0.359 38.127 38.487 -0.001 0.000 1.012 276 N HN 0.335 nan 8.380 nan 0.000 0.423 277 Y N 0.449 120.734 120.300 -0.025 0.000 2.114 277 Y HA -0.195 4.355 4.550 0.001 0.000 0.282 277 Y C 2.168 178.078 175.900 0.017 0.000 1.165 277 Y CA 1.888 59.978 58.100 -0.018 0.000 1.148 277 Y CB -0.205 38.227 38.460 -0.046 0.000 0.972 277 Y HN 0.061 nan 8.280 nan 0.000 0.504 278 M N -0.587 119.091 119.600 0.130 0.000 2.229 278 M HA -0.164 4.317 4.480 0.001 0.000 0.264 278 M C 1.999 178.325 176.300 0.044 0.000 1.063 278 M CA 1.739 57.097 55.300 0.096 0.000 1.114 278 M CB -1.431 31.298 32.600 0.214 0.000 1.387 278 M HN 0.259 nan 8.290 nan 0.000 0.420 279 T N 0.638 115.249 114.554 0.096 0.000 2.737 279 T HA -0.097 4.254 4.350 0.001 0.000 0.265 279 T C 1.931 176.623 174.700 -0.015 0.000 1.038 279 T CA 1.015 63.192 62.100 0.127 0.000 1.144 279 T CB 0.027 68.998 68.868 0.171 0.000 0.866 279 T HN 0.248 nan 8.240 nan 0.000 0.434 280 K N 1.211 121.557 120.400 -0.090 0.000 2.148 280 K HA 0.022 4.343 4.320 0.001 0.000 0.204 280 K C 2.091 178.576 176.600 -0.191 0.000 1.050 280 K CA 0.843 57.050 56.287 -0.133 0.000 0.942 280 K CB -0.388 32.023 32.500 -0.148 0.000 0.724 280 K HN 0.456 nan 8.250 nan 0.000 0.446 281 N N 0.076 118.591 118.700 -0.308 0.000 2.278 281 N HA -0.100 4.641 4.740 0.001 0.000 0.181 281 N C 0.999 176.430 175.510 -0.133 0.000 1.023 281 N CA 1.607 54.484 53.050 -0.289 0.000 0.862 281 N CB 0.487 38.664 38.487 -0.517 0.000 1.003 281 N HN 0.208 nan 8.380 nan 0.000 0.431 282 T N -3.542 110.946 114.554 -0.110 0.000 3.186 282 T HA 0.196 4.547 4.350 0.001 0.000 0.292 282 T C -0.418 174.208 174.700 -0.123 0.000 0.915 282 T CA -0.299 61.758 62.100 -0.071 0.000 0.902 282 T CB 0.414 69.270 68.868 -0.021 0.000 1.192 282 T HN 0.064 nan 8.240 nan 0.000 0.563 283 E N 1.383 121.484 120.200 -0.166 0.000 2.389 283 E HA -0.141 4.209 4.350 0.001 0.000 0.243 283 E C 0.908 177.048 176.600 -0.768 0.000 1.154 283 E CA 1.125 57.279 56.400 -0.410 0.000 0.723 283 E CB -2.127 27.343 29.700 -0.383 0.000 1.261 283 E HN 1.432 nan 8.360 nan 0.000 0.390 284 G N -0.715 107.909 108.800 -0.293 0.000 2.615 284 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 284 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 284 G C 0.026 174.950 174.900 0.040 0.000 1.339 284 G CA 0.233 45.296 45.100 -0.062 0.000 0.884 284 G HN 0.869 nan 8.290 nan 0.000 0.559 285 T N -0.664 114.014 114.554 0.207 0.000 2.895 285 T HA 0.718 5.068 4.350 0.001 0.000 0.283 285 T C -2.609 172.212 174.700 0.202 0.000 1.014 285 T CA -1.301 60.951 62.100 0.253 0.000 1.037 285 T CB 2.086 71.215 68.868 0.435 0.000 1.006 285 T HN 0.527 nan 8.240 nan 0.000 0.468 286 P HA 0.227 nan 4.420 nan 0.000 0.266 286 P C 0.819 178.180 177.300 0.101 0.000 1.195 286 P CA -0.543 62.601 63.100 0.074 0.000 0.768 286 P CB 0.554 32.281 31.700 0.044 0.000 0.838 287 R N 2.435 122.971 120.500 0.060 0.000 2.115 287 R HA -0.110 4.230 4.340 0.001 0.000 0.230 287 R C 1.558 177.914 176.300 0.094 0.000 1.111 287 R CA 1.469 57.630 56.100 0.102 0.000 0.976 287 R CB -0.684 29.619 30.300 0.004 0.000 0.870 287 R HN 0.560 nan 8.270 nan 0.000 0.445 288 E N -0.264 119.953 120.200 0.027 0.000 2.110 288 E HA -0.086 4.265 4.350 0.001 0.000 0.193 288 E C 1.862 178.399 176.600 -0.106 0.000 0.988 288 E CA 1.669 58.038 56.400 -0.052 0.000 0.804 288 E CB -0.254 29.407 29.700 -0.065 0.000 0.745 288 E HN 0.240 nan 8.360 nan 0.000 0.458 289 T N 0.811 115.314 114.554 -0.085 0.000 2.821 289 T HA -0.155 4.196 4.350 0.001 0.000 0.267 289 T C 1.713 176.207 174.700 -0.344 0.000 1.046 289 T CA 1.131 63.131 62.100 -0.167 0.000 1.139 289 T CB -0.167 68.667 68.868 -0.057 0.000 0.871 289 T HN 0.195 nan 8.240 nan 0.000 0.454 290 Q N 0.122 119.782 119.800 -0.233 0.000 2.119 290 Q HA -0.029 4.312 4.340 0.001 0.000 0.201 290 Q C 2.337 178.209 176.000 -0.212 0.000 0.972 290 Q CA 0.922 56.548 55.803 -0.295 0.000 0.847 290 Q CB -0.311 28.490 28.738 0.104 0.000 0.903 290 Q HN 0.342 nan 8.270 nan 0.000 0.433 291 L N 0.816 121.970 121.223 -0.115 0.000 2.027 291 L HA -0.144 4.197 4.340 0.001 0.000 0.206 291 L C 2.365 179.100 176.870 -0.225 0.000 1.074 291 L CA 1.777 56.536 54.840 -0.134 0.000 0.745 291 L CB -0.413 41.521 42.059 -0.207 0.000 0.898 291 L HN -0.001 nan 8.230 nan 0.000 0.433 292 R N -1.025 119.312 120.500 -0.272 0.000 2.081 292 R HA -0.121 4.220 4.340 0.001 0.000 0.235 292 R C 2.224 178.289 176.300 -0.392 0.000 1.131 292 R CA 1.562 57.471 56.100 -0.317 0.000 0.960 292 R CB -0.207 29.903 30.300 -0.317 0.000 0.856 292 R HN 0.450 nan 8.270 nan 0.000 0.436 293 S N 1.139 116.568 115.700 -0.452 0.000 2.368 293 S HA -0.158 4.313 4.470 0.001 0.000 0.225 293 S C 1.717 176.099 174.600 -0.362 0.000 1.030 293 S CA 1.124 59.031 58.200 -0.487 0.000 0.999 293 S CB -0.305 62.452 63.200 -0.739 0.000 0.844 293 S HN 0.267 nan 8.310 nan 0.000 0.459 294 L N 2.038 123.077 121.223 -0.308 0.000 2.012 294 L HA -0.090 4.251 4.340 0.001 0.000 0.210 294 L C 2.085 178.857 176.870 -0.163 0.000 1.073 294 L CA 1.848 56.571 54.840 -0.196 0.000 0.748 294 L CB -0.485 41.499 42.059 -0.125 0.000 0.891 294 L HN 0.021 nan 8.230 nan 0.000 0.431 295 K N -0.755 119.537 120.400 -0.180 0.000 2.097 295 K HA -0.065 4.255 4.320 0.001 0.000 0.206 295 K C 2.108 178.619 176.600 -0.149 0.000 1.049 295 K CA 1.471 57.672 56.287 -0.145 0.000 0.933 295 K CB -0.603 31.802 32.500 -0.159 0.000 0.717 295 K HN 0.308 nan 8.250 nan 0.000 0.442 296 V N 1.813 121.569 119.914 -0.263 0.000 2.270 296 V HA -0.204 3.916 4.120 0.001 0.000 0.245 296 V C 2.431 178.472 176.094 -0.089 0.000 1.043 296 V CA 1.430 63.532 62.300 -0.331 0.000 1.014 296 V CB -0.368 31.028 31.823 -0.713 0.000 0.645 296 V HN 0.207 nan 8.190 nan 0.000 0.447 297 L N -0.610 120.548 121.223 -0.108 0.000 2.141 297 L HA -0.163 4.177 4.340 0.001 0.000 0.209 297 L C 2.547 179.416 176.870 -0.001 0.000 1.094 297 L CA 1.444 56.269 54.840 -0.024 0.000 0.763 297 L CB -0.629 41.383 42.059 -0.079 0.000 0.908 297 L HN 0.313 nan 8.230 nan 0.000 0.437 298 K N 0.021 120.406 120.400 -0.025 0.000 2.097 298 K HA -0.245 4.076 4.320 0.001 0.000 0.206 298 K C 2.035 178.659 176.600 0.041 0.000 1.049 298 K CA 1.568 57.855 56.287 -0.001 0.000 0.933 298 K CB -0.025 32.467 32.500 -0.013 0.000 0.717 298 K HN 0.131 nan 8.250 nan 0.000 0.442 299 E N 0.921 121.168 120.200 0.078 0.000 2.072 299 E HA -0.119 4.232 4.350 0.001 0.000 0.190 299 E C 1.770 178.438 176.600 0.113 0.000 0.982 299 E CA 0.935 57.410 56.400 0.125 0.000 0.803 299 E CB -0.048 29.783 29.700 0.218 0.000 0.755 299 E HN -0.010 nan 8.360 nan 0.000 0.453 300 V N 0.086 120.078 119.914 0.131 0.000 2.287 300 V HA -0.278 3.842 4.120 0.001 0.000 0.248 300 V C 2.422 178.561 176.094 0.074 0.000 1.053 300 V CA 1.765 64.111 62.300 0.077 0.000 1.027 300 V CB -0.612 31.265 31.823 0.091 0.000 0.646 300 V HN 0.207 nan 8.190 nan 0.000 0.447 301 V N 0.179 120.133 119.914 0.068 0.000 2.343 301 V HA -0.234 3.887 4.120 0.001 0.000 0.247 301 V C 2.690 178.818 176.094 0.057 0.000 1.051 301 V CA 1.930 64.262 62.300 0.055 0.000 1.036 301 V CB -1.096 30.743 31.823 0.025 0.000 0.654 301 V HN 0.566 nan 8.190 nan 0.000 0.451 302 A N -0.566 122.289 122.820 0.057 0.000 1.933 302 A HA -0.194 4.127 4.320 0.001 0.000 0.218 302 A C 2.201 179.826 177.584 0.070 0.000 1.175 302 A CA 1.856 53.928 52.037 0.057 0.000 0.628 302 A CB -0.400 18.635 19.000 0.059 0.000 0.814 302 A HN 0.412 nan 8.150 nan 0.000 0.444 303 M N -0.499 119.151 119.600 0.084 0.000 2.254 303 M HA -0.043 4.437 4.480 0.001 0.000 0.265 303 M C 2.140 178.504 176.300 0.105 0.000 1.066 303 M CA 1.007 56.368 55.300 0.102 0.000 1.123 303 M CB -1.150 31.519 32.600 0.115 0.000 1.388 303 M HN 0.242 nan 8.290 nan 0.000 0.425 304 V N 0.547 120.525 119.914 0.106 0.000 2.358 304 V HA -0.256 3.865 4.120 0.001 0.000 0.246 304 V C 2.306 178.448 176.094 0.081 0.000 1.047 304 V CA 1.594 63.970 62.300 0.128 0.000 1.035 304 V CB -0.729 31.189 31.823 0.158 0.000 0.658 304 V HN 0.457 nan 8.190 nan 0.000 0.452 305 K N 0.280 120.718 120.400 0.064 0.000 2.097 305 K HA -0.115 4.206 4.320 0.001 0.000 0.205 305 K C 2.006 178.628 176.600 0.038 0.000 1.050 305 K CA 1.902 58.215 56.287 0.042 0.000 0.938 305 K CB -0.200 32.322 32.500 0.037 0.000 0.718 305 K HN 0.708 nan 8.250 nan 0.000 0.442 306 T N -3.224 111.359 114.554 0.048 0.000 2.975 306 T HA 0.130 4.481 4.350 0.001 0.000 0.261 306 T C 1.064 175.793 174.700 0.049 0.000 0.984 306 T CA -0.349 61.776 62.100 0.042 0.000 0.911 306 T CB 0.548 69.439 68.868 0.039 0.000 1.127 306 T HN -0.114 nan 8.240 nan 0.000 0.514 307 Q N 0.711 120.552 119.800 0.069 0.000 2.055 307 Q HA 0.330 4.671 4.340 0.001 0.000 0.226 307 Q C -0.369 175.694 176.000 0.105 0.000 0.805 307 Q CA -0.179 55.674 55.803 0.084 0.000 1.072 307 Q CB 1.183 29.981 28.738 0.100 0.000 1.219 307 Q HN 0.544 nan 8.270 nan 0.000 0.451 308 K N 0.331 120.782 120.400 0.086 0.000 2.489 308 K HA 0.151 4.472 4.320 0.001 0.000 0.278 308 K C 0.971 177.640 176.600 0.114 0.000 1.000 308 K CA 1.494 57.838 56.287 0.095 0.000 1.012 308 K CB 0.119 32.613 32.500 -0.010 0.000 0.903 308 K HN 0.383 nan 8.250 nan 0.000 0.485 309 G N 2.172 111.097 108.800 0.208 0.000 2.162 309 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 309 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 309 G C 0.125 175.133 174.900 0.179 0.000 0.976 309 G CA 0.778 46.019 45.100 0.234 0.000 0.655 309 G HN 0.895 nan 8.290 nan 0.000 0.533 310 T N -3.563 111.094 114.554 0.173 0.000 2.949 310 T HA 0.699 5.049 4.350 0.001 0.000 0.287 310 T C 1.534 176.353 174.700 0.198 0.000 1.034 310 T CA -0.283 61.905 62.100 0.147 0.000 1.018 310 T CB 1.245 70.181 68.868 0.113 0.000 1.135 310 T HN -0.093 nan 8.240 nan 0.000 0.532 311 M N 0.398 120.110 119.600 0.187 0.000 2.549 311 M HA 0.079 4.560 4.480 0.001 0.000 0.260 311 M C 1.894 178.404 176.300 0.351 0.000 1.076 311 M CA 0.764 56.233 55.300 0.282 0.000 1.090 311 M CB -1.084 31.659 32.600 0.238 0.000 1.418 311 M HN 0.577 nan 8.290 nan 0.000 0.486 312 R N 0.197 120.849 120.500 0.252 0.000 2.276 312 R HA 0.028 4.368 4.340 0.001 0.000 0.203 312 R C 0.104 176.607 176.300 0.339 0.000 1.017 312 R CA 0.249 56.521 56.100 0.286 0.000 1.010 312 R CB -0.585 29.816 30.300 0.168 0.000 0.900 312 R HN 0.309 nan 8.270 nan 0.000 0.469 313 D N 0.953 121.517 120.400 0.274 0.000 2.295 313 D HA -0.014 4.626 4.640 0.001 0.000 0.248 313 D C 1.193 177.542 176.300 0.081 0.000 1.154 313 D CA -0.288 53.827 54.000 0.193 0.000 0.857 313 D CB 1.038 41.976 40.800 0.230 0.000 1.117 313 D HN -0.176 nan 8.370 nan 0.000 0.468 314 L N 5.102 126.165 121.223 -0.268 0.000 2.043 314 L HA -0.194 4.147 4.340 0.001 0.000 0.212 314 L C 1.425 178.163 176.870 -0.219 0.000 1.075 314 L CA 1.812 56.164 54.840 -0.813 0.000 0.752 314 L CB -0.665 40.791 42.059 -1.004 0.000 0.891 314 L HN 0.487 nan 8.230 nan 0.000 0.432 315 N N -1.272 117.372 118.700 -0.094 0.000 2.244 315 N HA -0.128 4.612 4.740 0.001 0.000 0.183 315 N C 1.610 177.308 175.510 0.313 0.000 1.016 315 N CA 1.794 54.805 53.050 -0.064 0.000 0.866 315 N CB -0.301 37.971 38.487 -0.358 0.000 0.980 315 N HN 0.466 nan 8.380 nan 0.000 0.430 316 T N 1.011 115.821 114.554 0.426 0.000 2.809 316 T HA -0.044 4.307 4.350 0.001 0.000 0.260 316 T C 1.639 176.568 174.700 0.380 0.000 1.039 316 T CA 0.382 62.809 62.100 0.545 0.000 1.141 316 T CB -0.444 68.699 68.868 0.459 0.000 0.869 316 T HN 0.144 nan 8.240 nan 0.000 0.437 317 F N 2.221 122.261 119.950 0.151 0.000 2.065 317 F HA -0.109 4.419 4.527 0.001 0.000 0.298 317 F C 2.386 178.240 175.800 0.091 0.000 1.112 317 F CA 1.714 59.762 58.000 0.080 0.000 1.212 317 F CB -0.868 38.145 39.000 0.022 0.000 0.975 317 F HN 0.180 nan 8.300 nan 0.000 0.476 318 G N -0.501 108.560 108.800 0.435 0.000 2.421 318 G HA2 -0.338 3.622 3.960 0.001 0.000 0.216 318 G HA3 -0.338 3.622 3.960 0.001 0.000 0.216 318 G C 1.616 176.683 174.900 0.279 0.000 1.171 318 G CA 0.798 46.156 45.100 0.429 0.000 0.775 318 G HN 0.482 nan 8.290 nan 0.000 0.543 319 F N 1.803 121.878 119.950 0.209 0.000 2.095 319 F HA -0.017 4.511 4.527 0.001 0.000 0.298 319 F C 2.563 178.336 175.800 -0.046 0.000 1.104 319 F CA 1.913 59.964 58.000 0.084 0.000 1.232 319 F CB -0.236 38.870 39.000 0.177 0.000 0.987 319 F HN 0.040 nan 8.300 nan 0.000 0.475 320 K N 0.312 120.436 120.400 -0.461 0.000 2.097 320 K HA -0.152 4.169 4.320 0.001 0.000 0.205 320 K C 2.150 178.455 176.600 -0.491 0.000 1.050 320 K CA 1.555 57.465 56.287 -0.627 0.000 0.938 320 K CB -0.195 32.095 32.500 -0.350 0.000 0.718 320 K HN 0.322 nan 8.250 nan 0.000 0.442 321 K N 0.849 121.003 120.400 -0.410 0.000 2.026 321 K HA -0.069 4.251 4.320 0.001 0.000 0.208 321 K C 2.162 178.530 176.600 -0.387 0.000 1.048 321 K CA 1.101 57.163 56.287 -0.375 0.000 0.929 321 K CB -0.122 32.205 32.500 -0.288 0.000 0.713 321 K HN 0.093 nan 8.250 nan 0.000 0.439 322 L N 0.528 121.517 121.223 -0.389 0.000 2.141 322 L HA -0.114 4.227 4.340 0.001 0.000 0.209 322 L C 2.573 179.285 176.870 -0.262 0.000 1.094 322 L CA 0.717 55.325 54.840 -0.385 0.000 0.763 322 L CB -0.366 41.477 42.059 -0.360 0.000 0.908 322 L HN 0.116 nan 8.230 nan 0.000 0.437 323 R N 1.057 121.358 120.500 -0.332 0.000 2.081 323 R HA -0.178 4.163 4.340 0.001 0.000 0.235 323 R C 1.985 178.189 176.300 -0.161 0.000 1.131 323 R CA 1.636 57.583 56.100 -0.255 0.000 0.960 323 R CB -0.365 29.578 30.300 -0.596 0.000 0.856 323 R HN 0.358 nan 8.270 nan 0.000 0.436 324 E N -0.276 119.775 120.200 -0.248 0.000 2.110 324 E HA -0.174 4.177 4.350 0.001 0.000 0.193 324 E C 2.162 178.659 176.600 -0.171 0.000 0.988 324 E CA 1.234 57.522 56.400 -0.187 0.000 0.804 324 E CB -0.060 29.512 29.700 -0.213 0.000 0.745 324 E HN 0.351 nan 8.360 nan 0.000 0.458 325 R N 0.098 120.414 120.500 -0.307 0.000 2.075 325 R HA -0.120 4.221 4.340 0.001 0.000 0.232 325 R C 2.233 178.512 176.300 -0.035 0.000 1.126 325 R CA 1.230 57.048 56.100 -0.470 0.000 0.963 325 R CB -0.357 29.403 30.300 -0.900 0.000 0.858 325 R HN 0.413 nan 8.270 nan 0.000 0.435 326 W N 1.216 122.408 121.300 -0.179 0.000 2.355 326 W HA -0.207 4.454 4.660 0.001 0.000 0.309 326 W C 1.691 178.154 176.519 -0.094 0.000 1.206 326 W CA 1.294 58.573 57.345 -0.110 0.000 1.284 326 W CB -0.115 29.286 29.460 -0.098 0.000 1.145 326 W HN -0.118 nan 8.180 nan 0.000 0.502 327 V N 1.730 121.628 119.914 -0.027 0.000 2.282 327 V HA -0.404 3.717 4.120 0.001 0.000 0.249 327 V C 2.062 178.076 176.094 -0.134 0.000 1.057 327 V CA 2.530 64.766 62.300 -0.107 0.000 1.032 327 V CB -1.173 30.628 31.823 -0.036 0.000 0.645 327 V HN 0.180 nan 8.190 nan 0.000 0.447 328 N N -0.365 118.312 118.700 -0.038 0.000 2.106 328 N HA -0.075 4.666 4.740 0.001 0.000 0.188 328 N C 1.718 177.205 175.510 -0.039 0.000 1.029 328 N CA 1.496 54.559 53.050 0.022 0.000 0.848 328 N CB -0.334 38.265 38.487 0.188 0.000 1.007 328 N HN 0.515 nan 8.380 nan 0.000 0.423 329 I N 0.599 121.146 120.570 -0.040 0.000 2.353 329 I HA -0.218 3.953 4.170 0.001 0.000 0.248 329 I C 1.822 177.715 176.117 -0.373 0.000 1.119 329 I CA 1.206 62.418 61.300 -0.147 0.000 1.417 329 I CB -0.256 37.720 38.000 -0.041 0.000 1.078 329 I HN 0.274 nan 8.210 nan 0.000 0.421 330 T N -1.059 113.086 114.554 -0.681 0.000 2.857 330 T HA -0.011 4.340 4.350 0.001 0.000 0.266 330 T C 1.981 176.496 174.700 -0.308 0.000 1.048 330 T CA 0.820 62.395 62.100 -0.874 0.000 1.139 330 T CB -0.619 67.440 68.868 -1.348 0.000 0.874 330 T HN 0.342 nan 8.240 nan 0.000 0.455 331 A N 1.583 124.270 122.820 -0.221 0.000 1.902 331 A HA 0.107 4.428 4.320 0.001 0.000 0.217 331 A C 2.319 179.872 177.584 -0.052 0.000 1.181 331 A CA 1.618 53.602 52.037 -0.088 0.000 0.623 331 A CB -0.889 18.069 19.000 -0.069 0.000 0.818 331 A HN 0.475 nan 8.150 nan 0.000 0.443 332 L N -0.276 120.903 121.223 -0.073 0.000 2.005 332 L HA -0.036 4.304 4.340 0.001 0.000 0.207 332 L C 2.238 179.107 176.870 -0.001 0.000 1.072 332 L CA 1.686 56.500 54.840 -0.044 0.000 0.744 332 L CB -0.621 41.397 42.059 -0.068 0.000 0.895 332 L HN 0.374 nan 8.230 nan 0.000 0.433 333 L N -0.334 120.896 121.223 0.012 0.000 2.187 333 L HA -0.209 4.132 4.340 0.001 0.000 0.213 333 L C 1.859 178.815 176.870 0.143 0.000 1.100 333 L CA 1.060 55.971 54.840 0.119 0.000 0.765 333 L CB -0.774 41.404 42.059 0.198 0.000 0.904 333 L HN 0.312 nan 8.230 nan 0.000 0.437 334 D N -0.320 120.158 120.400 0.131 0.000 2.348 334 D HA -0.138 4.503 4.640 0.001 0.000 0.216 334 D C 1.950 178.281 176.300 0.051 0.000 0.970 334 D CA 0.730 54.793 54.000 0.104 0.000 0.889 334 D CB 0.031 40.892 40.800 0.101 0.000 0.912 334 D HN 0.468 nan 8.370 nan 0.000 0.524 335 Q N -0.129 119.694 119.800 0.038 0.000 2.444 335 Q HA 0.030 4.370 4.340 0.001 0.000 0.206 335 Q C 0.510 176.522 176.000 0.020 0.000 0.948 335 Q CA 0.174 55.990 55.803 0.022 0.000 0.946 335 Q CB 0.360 29.104 28.738 0.009 0.000 1.027 335 Q HN 0.154 nan 8.270 nan 0.000 0.513 336 S N -1.605 114.108 115.700 0.020 0.000 2.643 336 S HA 0.251 4.722 4.470 0.001 0.000 0.270 336 S C -0.945 173.649 174.600 -0.011 0.000 1.166 336 S CA -0.942 57.265 58.200 0.011 0.000 0.815 336 S CB 1.290 64.488 63.200 -0.002 0.000 1.139 336 S HN -0.102 nan 8.310 nan 0.000 0.472 337 D N 0.141 120.544 120.400 0.005 0.000 2.358 337 D HA 0.237 4.878 4.640 0.001 0.000 0.224 337 D C 1.366 177.570 176.300 -0.159 0.000 1.123 337 D CA -0.045 53.947 54.000 -0.014 0.000 0.833 337 D CB -0.019 40.817 40.800 0.059 0.000 0.946 337 D HN 0.538 nan 8.370 nan 0.000 0.505 338 R N -0.163 120.049 120.500 -0.480 0.000 2.090 338 R HA -0.016 4.325 4.340 0.001 0.000 0.228 338 R C -0.217 175.315 176.300 -1.280 0.000 1.110 338 R CA 0.913 56.162 56.100 -1.419 0.000 0.973 338 R CB 0.227 29.328 30.300 -1.997 0.000 0.869 338 R HN -0.065 nan 8.270 nan 0.000 0.440 339 F N -0.573 119.194 119.950 -0.304 0.000 2.576 339 F HA 0.362 4.890 4.527 0.001 0.000 0.313 339 F C -0.134 175.597 175.800 -0.114 0.000 1.078 339 F CA -0.986 56.907 58.000 -0.178 0.000 0.921 339 F CB 2.114 41.064 39.000 -0.084 0.000 1.232 339 F HN -0.101 nan 8.300 nan 0.000 0.459 340 S N 0.922 116.670 115.700 0.079 0.000 2.634 340 S HA 0.876 5.347 4.470 0.001 0.000 0.296 340 S C -1.419 173.211 174.600 0.050 0.000 1.104 340 S CA -0.712 57.465 58.200 -0.038 0.000 0.920 340 S CB 2.108 65.232 63.200 -0.127 0.000 1.111 340 S HN 0.629 nan 8.310 nan 0.000 0.493 341 Y N -1.017 119.338 120.300 0.092 0.000 2.633 341 Y HA 0.645 5.196 4.550 0.001 0.000 0.339 341 Y C -0.061 175.994 175.900 0.258 0.000 1.045 341 Y CA -1.445 56.757 58.100 0.169 0.000 1.098 341 Y CB 0.530 39.072 38.460 0.135 0.000 1.296 341 Y HN 0.787 nan 8.280 nan 0.000 0.494 342 Q N 1.032 121.208 119.800 0.626 0.000 2.421 342 Q HA 0.073 4.413 4.340 0.001 0.000 0.255 342 Q C -0.853 175.425 176.000 0.463 0.000 1.013 342 Q CA -0.208 55.890 55.803 0.492 0.000 0.895 342 Q CB 1.339 30.372 28.738 0.492 0.000 1.271 342 Q HN 0.937 nan 8.270 nan 0.000 0.460 343 E N 2.704 123.081 120.200 0.294 0.000 2.152 343 E HA 0.399 4.750 4.350 0.001 0.000 0.285 343 E C -1.102 175.638 176.600 0.232 0.000 1.043 343 E CA -0.285 56.265 56.400 0.250 0.000 0.839 343 E CB 0.522 30.319 29.700 0.161 0.000 1.069 343 E HN 0.545 nan 8.360 nan 0.000 0.399 344 L N 5.502 126.880 121.223 0.258 0.000 2.370 344 L HA 0.508 4.849 4.340 0.001 0.000 0.266 344 L C -2.230 174.743 176.870 0.172 0.000 1.002 344 L CA -2.596 52.349 54.840 0.177 0.000 0.818 344 L CB 1.959 44.090 42.059 0.122 0.000 1.325 344 L HN 0.525 nan 8.230 nan 0.000 0.418 345 P HA 0.061 nan 4.420 nan 0.000 0.268 345 P C -0.205 177.179 177.300 0.139 0.000 1.204 345 P CA -0.297 62.878 63.100 0.126 0.000 0.768 345 P CB 0.612 32.376 31.700 0.108 0.000 0.842 346 Q N 0.488 120.375 119.800 0.144 0.000 2.331 346 Q HA 0.056 4.397 4.340 0.001 0.000 0.203 346 Q C 0.290 176.372 176.000 0.136 0.000 0.944 346 Q CA 1.069 56.967 55.803 0.158 0.000 0.892 346 Q CB 0.256 29.086 28.738 0.153 0.000 0.983 346 Q HN 0.400 nan 8.270 nan 0.000 0.482 347 S N 0.061 115.832 115.700 0.118 0.000 2.652 347 S HA 0.336 4.807 4.470 0.001 0.000 0.273 347 S C -1.638 173.026 174.600 0.107 0.000 1.172 347 S CA -0.510 57.755 58.200 0.107 0.000 1.009 347 S CB 0.893 64.153 63.200 0.101 0.000 1.094 347 S HN 0.070 nan 8.310 nan 0.000 0.471 348 E N 2.251 122.512 120.200 0.102 0.000 2.340 348 E HA 0.240 4.591 4.350 0.001 0.000 0.273 348 E C -1.751 174.924 176.600 0.125 0.000 0.891 348 E CA -0.842 55.630 56.400 0.120 0.000 0.757 348 E CB 1.964 31.726 29.700 0.104 0.000 1.231 348 E HN 0.625 nan 8.360 nan 0.000 0.439 349 Y N 1.442 121.773 120.300 0.052 0.000 2.442 349 Y HA 0.133 4.683 4.550 0.001 0.000 0.330 349 Y C -0.500 175.426 175.900 0.043 0.000 1.129 349 Y CA -0.289 57.839 58.100 0.047 0.000 1.365 349 Y CB 0.632 39.120 38.460 0.047 0.000 1.233 349 Y HN 0.489 nan 8.280 nan 0.000 0.529 350 C N 8.304 127.242 119.300 -0.603 0.000 2.281 350 C HA 0.327 4.788 4.460 0.001 0.000 0.325 350 C C 1.007 175.629 174.990 -0.613 0.000 1.282 350 C CA -0.913 57.854 59.018 -0.417 0.000 1.640 350 C CB -0.430 27.198 27.740 -0.188 0.000 2.288 350 C HN 1.010 nan 8.230 nan 0.000 0.507 351 N N 2.329 120.883 118.700 -0.244 0.000 2.309 351 N HA -0.112 4.629 4.740 0.001 0.000 0.182 351 N C 1.081 176.521 175.510 -0.117 0.000 1.018 351 N CA 1.283 54.291 53.050 -0.070 0.000 0.876 351 N CB -0.315 38.203 38.487 0.051 0.000 0.972 351 N HN 0.924 nan 8.380 nan 0.000 0.434 352 Y N 0.208 120.321 120.300 -0.311 0.000 2.153 352 Y HA -0.028 4.523 4.550 0.002 0.000 0.289 352 Y C 1.587 177.267 175.900 -0.367 0.000 1.119 352 Y CA 1.335 59.204 58.100 -0.385 0.000 1.116 352 Y CB -0.437 37.662 38.460 -0.602 0.000 1.004 352 Y HN -0.149 nan 8.280 nan 0.000 0.501 353 F N 0.434 120.261 119.950 -0.205 0.000 2.558 353 F HA 0.124 4.652 4.527 0.001 0.000 0.298 353 F C 0.934 176.576 175.800 -0.262 0.000 1.119 353 F CA 0.954 58.798 58.000 -0.260 0.000 1.451 353 F CB -0.390 38.484 39.000 -0.209 0.000 1.091 353 F HN -0.082 nan 8.300 nan 0.000 0.563 354 R N 0.801 121.189 120.500 -0.186 0.000 3.336 354 R HA -0.224 4.117 4.340 0.001 0.000 0.260 354 R C -0.281 175.983 176.300 -0.060 0.000 1.032 354 R CA 0.724 56.735 56.100 -0.148 0.000 0.693 354 R CB -1.865 28.440 30.300 0.008 0.000 1.134 354 R HN 0.533 nan 8.270 nan 0.000 0.433 355 R N -1.887 118.462 120.500 -0.252 0.000 2.728 355 R HA 0.415 4.756 4.340 0.001 0.000 0.274 355 R C -0.823 175.418 176.300 -0.098 0.000 1.030 355 R CA -1.271 54.809 56.100 -0.034 0.000 0.876 355 R CB 0.654 30.954 30.300 0.001 0.000 1.259 355 R HN -0.126 nan 8.270 nan 0.000 0.468 356 M N 2.185 121.826 119.600 0.068 0.000 2.238 356 M HA 0.310 4.791 4.480 0.001 0.000 0.347 356 M C -0.053 176.252 176.300 0.008 0.000 1.173 356 M CA 0.293 55.637 55.300 0.073 0.000 1.147 356 M CB 0.335 33.005 32.600 0.115 0.000 1.547 356 M HN 0.739 nan 8.290 nan 0.000 0.455 357 R N 2.769 123.269 120.500 -0.000 0.000 2.740 357 R HA 0.827 5.168 4.340 0.001 0.000 0.273 357 R C -3.068 173.278 176.300 0.076 0.000 0.998 357 R CA -1.581 54.517 56.100 -0.004 0.000 0.900 357 R CB 1.353 31.524 30.300 -0.215 0.000 1.223 357 R HN 0.310 nan 8.270 nan 0.000 0.466 358 P HA 0.389 nan 4.420 nan 0.000 0.281 358 P C -2.654 174.762 177.300 0.192 0.000 1.281 358 P CA -2.077 61.132 63.100 0.180 0.000 0.811 358 P CB 0.385 32.208 31.700 0.204 0.000 1.154 359 P HA 0.131 nan 4.420 nan 0.000 0.272 359 P C -0.182 177.068 177.300 -0.084 0.000 1.230 359 P CA 0.082 63.162 63.100 -0.034 0.000 0.788 359 P CB 0.190 31.757 31.700 -0.223 0.000 0.949 360 S N -0.628 114.986 115.700 -0.143 0.000 2.593 360 S HA 0.314 4.785 4.470 0.001 0.000 0.178 360 S C -2.692 171.821 174.600 -0.144 0.000 1.114 360 S CA -1.186 56.953 58.200 -0.101 0.000 1.199 360 S CB -0.049 63.232 63.200 0.135 0.000 1.564 360 S HN 0.226 nan 8.310 nan 0.000 0.407 361 P HA 0.209 nan 4.420 nan 0.000 0.272 361 P C 0.902 178.110 177.300 -0.154 0.000 1.240 361 P CA -0.165 62.773 63.100 -0.270 0.000 0.791 361 P CB 1.317 32.710 31.700 -0.512 0.000 0.978 362 S N 0.596 116.173 115.700 -0.205 0.000 2.423 362 S HA -0.043 4.428 4.470 0.001 0.000 0.231 362 S C 0.021 174.222 174.600 -0.664 0.000 1.014 362 S CA 0.980 58.898 58.200 -0.470 0.000 0.965 362 S CB -0.570 62.062 63.200 -0.946 0.000 0.785 362 S HN 0.429 nan 8.310 nan 0.000 0.495 363 Y N -0.475 119.783 120.300 -0.070 0.000 2.553 363 Y HA 0.681 5.232 4.550 0.001 0.000 0.347 363 Y C -0.097 175.892 175.900 0.148 0.000 1.019 363 Y CA -1.307 56.808 58.100 0.025 0.000 1.032 363 Y CB 1.483 39.915 38.460 -0.046 0.000 1.284 363 Y HN 0.018 nan 8.280 nan 0.000 0.466 364 A N 2.423 125.497 122.820 0.423 0.000 2.260 364 A HA 0.346 4.666 4.320 0.001 0.000 0.308 364 A C -1.355 176.476 177.584 0.410 0.000 1.254 364 A CA -0.529 51.797 52.037 0.481 0.000 0.874 364 A CB 0.266 19.482 19.000 0.360 0.000 1.153 364 A HN 0.846 nan 8.150 nan 0.000 0.527 365 W N 5.222 126.641 121.300 0.198 0.000 2.283 365 W HA 0.532 5.193 4.660 0.001 0.000 0.317 365 W C -1.909 174.730 176.519 0.199 0.000 1.042 365 W CA -0.470 56.932 57.345 0.096 0.000 1.348 365 W CB 1.193 30.671 29.460 0.030 0.000 1.216 365 W HN 0.417 nan 8.180 nan 0.000 0.404 366 V N 6.607 126.474 119.914 -0.079 0.000 2.495 366 V HA 0.301 4.422 4.120 0.001 0.000 0.298 366 V C -0.148 175.772 176.094 -0.290 0.000 1.031 366 V CA -0.893 61.351 62.300 -0.093 0.000 0.871 366 V CB 1.892 33.651 31.823 -0.106 0.000 0.988 366 V HN 0.402 nan 8.190 nan 0.000 0.432 367 K N 3.107 123.346 120.400 -0.268 0.000 2.206 367 K HA 0.463 4.784 4.320 0.001 0.000 0.264 367 K C -0.885 175.628 176.600 -0.146 0.000 0.967 367 K CA -0.489 55.490 56.287 -0.512 0.000 0.844 367 K CB 1.127 33.214 32.500 -0.688 0.000 1.099 367 K HN 0.750 nan 8.250 nan 0.000 0.441 368 c N 4.525 123.059 118.600 -0.110 0.000 2.555 368 c HA 0.130 4.701 4.570 0.001 0.000 0.385 368 c C 1.336 175.336 174.090 -0.149 0.000 1.296 368 c CA -0.487 55.833 56.329 -0.015 0.000 1.757 368 c CB -0.388 42.156 42.510 0.057 0.000 2.445 368 c HN 0.859 nan 8.230 nan 0.000 0.571 369 E N 1.403 121.472 120.200 -0.218 0.000 2.400 369 E HA -0.004 4.347 4.350 0.001 0.000 0.195 369 E C 0.127 176.769 176.600 0.071 0.000 1.012 369 E CA 0.434 56.770 56.400 -0.107 0.000 0.875 369 E CB 0.216 29.850 29.700 -0.110 0.000 0.859 369 E HN 0.688 nan 8.360 nan 0.000 0.498 370 W N 1.831 123.033 121.300 -0.165 0.000 2.287 370 W HA 0.124 4.784 4.660 0.001 0.000 0.313 370 W C 1.578 178.041 176.519 -0.093 0.000 1.267 370 W CA -1.082 56.183 57.345 -0.133 0.000 1.201 370 W CB 0.632 29.995 29.460 -0.162 0.000 1.196 370 W HN 0.051 nan 8.180 nan 0.000 0.536 371 E N 1.798 122.076 120.200 0.130 0.000 2.171 371 E HA -0.273 4.077 4.350 0.001 0.000 0.197 371 E C 1.420 178.062 176.600 0.070 0.000 0.997 371 E CA 2.001 58.440 56.400 0.064 0.000 0.810 371 E CB 0.289 30.001 29.700 0.021 0.000 0.738 371 E HN 0.487 nan 8.360 nan 0.000 0.467 372 E N 0.194 120.448 120.200 0.091 0.000 2.204 372 E HA -0.136 4.215 4.350 0.001 0.000 0.195 372 E C 0.825 177.486 176.600 0.101 0.000 0.990 372 E CA 1.340 57.790 56.400 0.083 0.000 0.821 372 E CB -0.018 29.735 29.700 0.088 0.000 0.750 372 E HN 0.261 nan 8.360 nan 0.000 0.477 373 D N 0.017 120.494 120.400 0.129 0.000 2.336 373 D HA 0.002 4.642 4.640 0.001 0.000 0.228 373 D C 1.183 177.527 176.300 0.075 0.000 1.120 373 D CA 0.085 54.140 54.000 0.093 0.000 0.839 373 D CB 0.103 40.931 40.800 0.047 0.000 0.932 373 D HN 0.127 nan 8.370 nan 0.000 0.509 374 K N 0.857 121.295 120.400 0.064 0.000 2.127 374 K HA -0.185 4.136 4.320 0.001 0.000 0.208 374 K C 0.580 177.216 176.600 0.061 0.000 1.047 374 K CA 1.047 57.362 56.287 0.047 0.000 0.927 374 K CB 0.161 32.687 32.500 0.043 0.000 0.716 374 K HN -0.118 nan 8.250 nan 0.000 0.450 375 D N 0.748 121.195 120.400 0.080 0.000 2.508 375 D HA -0.026 4.614 4.640 0.001 0.000 0.224 375 D C 0.575 176.959 176.300 0.140 0.000 1.171 375 D CA -0.155 53.910 54.000 0.108 0.000 1.006 375 D CB 0.057 40.922 40.800 0.108 0.000 1.073 375 D HN 0.239 nan 8.370 nan 0.000 0.513 376 c N 3.660 122.345 118.600 0.142 0.000 2.440 376 c HA -0.156 4.415 4.570 0.001 0.000 0.278 376 c C 2.221 176.469 174.090 0.264 0.000 1.295 376 c CA 0.419 56.864 56.329 0.193 0.000 1.738 376 c CB -1.335 41.239 42.510 0.106 0.000 1.987 376 c HN 0.788 nan 8.230 nan 0.000 0.492 377 Y N 1.470 121.829 120.300 0.098 0.000 2.128 377 Y HA -0.261 4.290 4.550 0.001 0.000 0.284 377 Y C 2.528 178.506 175.900 0.130 0.000 1.154 377 Y CA 2.565 60.722 58.100 0.095 0.000 1.149 377 Y CB -0.617 37.880 38.460 0.062 0.000 0.976 377 Y HN 0.364 nan 8.280 nan 0.000 0.505 378 Q N -0.124 119.764 119.800 0.148 0.000 2.119 378 Q HA -0.114 4.227 4.340 0.001 0.000 0.201 378 Q C 2.131 178.134 176.000 0.005 0.000 0.972 378 Q CA 2.342 58.167 55.803 0.036 0.000 0.847 378 Q CB -0.587 28.218 28.738 0.111 0.000 0.903 378 Q HN 0.496 nan 8.270 nan 0.000 0.433 379 T N 0.038 114.636 114.554 0.074 0.000 2.720 379 T HA -0.136 4.215 4.350 0.001 0.000 0.268 379 T C 1.199 175.851 174.700 -0.080 0.000 1.037 379 T CA 1.508 63.626 62.100 0.031 0.000 1.144 379 T CB -0.397 68.531 68.868 0.100 0.000 0.864 379 T HN 0.242 nan 8.240 nan 0.000 0.444 380 F N 1.465 121.338 119.950 -0.128 0.000 2.146 380 F HA -0.041 4.487 4.527 0.001 0.000 0.298 380 F C 2.774 178.429 175.800 -0.242 0.000 1.096 380 F CA 0.729 58.614 58.000 -0.192 0.000 1.275 380 F CB -0.479 38.395 39.000 -0.210 0.000 1.008 380 F HN 0.008 nan 8.300 nan 0.000 0.480 381 Q N 0.436 120.133 119.800 -0.173 0.000 2.077 381 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 381 Q C 1.927 177.831 176.000 -0.160 0.000 0.989 381 Q CA 1.469 57.141 55.803 -0.218 0.000 0.853 381 Q CB -0.913 27.670 28.738 -0.259 0.000 0.907 381 Q HN 0.407 nan 8.270 nan 0.000 0.418 382 N N -0.112 118.512 118.700 -0.127 0.000 2.223 382 N HA -0.097 4.644 4.740 0.001 0.000 0.185 382 N C 1.576 177.003 175.510 -0.139 0.000 1.016 382 N CA 1.357 54.344 53.050 -0.105 0.000 0.863 382 N CB -0.461 37.985 38.487 -0.068 0.000 0.983 382 N HN 0.350 nan 8.380 nan 0.000 0.429 383 G N -0.127 108.558 108.800 -0.191 0.000 3.088 383 G HA2 -0.028 3.932 3.960 0.001 0.000 0.212 383 G HA3 -0.028 3.932 3.960 0.001 0.000 0.212 383 G C 0.088 174.791 174.900 -0.329 0.000 1.173 383 G CA -0.317 44.648 45.100 -0.226 0.000 0.779 383 G HN 0.204 nan 8.290 nan 0.000 0.540 384 R N -1.308 118.977 120.500 -0.359 0.000 3.527 384 R HA -0.141 4.199 4.340 0.001 0.000 0.288 384 R C -0.707 175.305 176.300 -0.479 0.000 1.146 384 R CA 0.660 56.434 56.100 -0.543 0.000 0.778 384 R CB -2.611 27.047 30.300 -1.070 0.000 1.289 384 R HN 0.424 nan 8.270 nan 0.000 0.454 385 I N 0.667 121.108 120.570 -0.214 0.000 2.439 385 I HA 0.176 4.346 4.170 0.001 0.000 0.285 385 I C 0.018 176.122 176.117 -0.022 0.000 1.021 385 I CA -0.955 60.321 61.300 -0.040 0.000 1.091 385 I CB 1.859 39.936 38.000 0.128 0.000 1.242 385 I HN -0.030 nan 8.210 nan 0.000 0.439 386 N N 4.524 123.219 118.700 -0.008 0.000 2.458 386 N HA 0.431 5.171 4.740 0.001 0.000 0.270 386 N C -0.433 175.115 175.510 0.062 0.000 1.102 386 N CA 0.056 53.111 53.050 0.007 0.000 0.967 386 N CB 0.874 39.391 38.487 0.049 0.000 1.078 386 N HN 0.751 nan 8.380 nan 0.000 0.471 387 T N 0.001 114.605 114.554 0.082 0.000 2.831 387 T HA 0.404 4.755 4.350 0.001 0.000 0.287 387 T C -0.556 174.301 174.700 0.262 0.000 1.070 387 T CA -0.934 61.232 62.100 0.109 0.000 1.010 387 T CB 0.951 69.785 68.868 -0.056 0.000 1.264 387 T HN 0.390 nan 8.240 nan 0.000 0.532 388 Q N 1.586 121.524 119.800 0.231 0.000 2.303 388 Q HA 0.315 4.656 4.340 0.001 0.000 0.257 388 Q C -0.433 175.762 176.000 0.326 0.000 0.941 388 Q CA -0.809 55.167 55.803 0.288 0.000 0.931 388 Q CB 1.141 30.079 28.738 0.333 0.000 1.215 388 Q HN 0.566 nan 8.270 nan 0.000 0.437 389 N N 1.307 120.148 118.700 0.236 0.000 2.454 389 N HA -0.028 4.713 4.740 0.001 0.000 0.260 389 N C 0.987 176.699 175.510 0.337 0.000 1.218 389 N CA 0.410 53.572 53.050 0.187 0.000 0.904 389 N CB 1.224 39.634 38.487 -0.128 0.000 1.065 389 N HN 0.812 nan 8.380 nan 0.000 0.462 390 G N 2.585 111.561 108.800 0.293 0.000 2.479 390 G HA2 -0.194 3.767 3.960 0.001 0.000 0.220 390 G HA3 -0.194 3.767 3.960 0.001 0.000 0.220 390 G C 1.478 176.623 174.900 0.408 0.000 1.115 390 G CA 0.768 46.128 45.100 0.434 0.000 0.757 390 G HN 0.502 nan 8.290 nan 0.000 0.560 391 V N 1.352 121.394 119.914 0.214 0.000 2.407 391 V HA -0.092 4.029 4.120 0.001 0.000 0.248 391 V C 3.069 179.194 176.094 0.052 0.000 1.055 391 V CA 1.891 64.258 62.300 0.111 0.000 1.049 391 V CB -0.903 30.945 31.823 0.043 0.000 0.662 391 V HN 0.438 nan 8.190 nan 0.000 0.455 392 G N -0.938 107.870 108.800 0.013 0.000 2.471 392 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 392 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 392 G C 1.214 175.902 174.900 -0.352 0.000 1.125 392 G CA 0.365 45.351 45.100 -0.189 0.000 0.775 392 G HN 0.536 nan 8.290 nan 0.000 0.548 393 F N 0.453 120.286 119.950 -0.195 0.000 2.797 393 F HA 0.239 4.766 4.527 0.001 0.000 0.302 393 F C 1.130 176.578 175.800 -0.587 0.000 1.130 393 F CA 0.313 58.070 58.000 -0.405 0.000 1.387 393 F CB 0.086 38.914 39.000 -0.286 0.000 1.107 393 F HN 0.188 nan 8.300 nan 0.000 0.577 394 E N -0.629 119.455 120.200 -0.193 0.000 2.553 394 E HA -0.181 4.169 4.350 0.001 0.000 0.264 394 E C 0.088 176.674 176.600 -0.023 0.000 1.068 394 E CA 0.268 56.593 56.400 -0.125 0.000 0.774 394 E CB -1.661 27.922 29.700 -0.194 0.000 1.349 394 E HN 0.357 nan 8.360 nan 0.000 0.404 395 A N 0.863 123.732 122.820 0.082 0.000 2.309 395 A HA 0.739 5.060 4.320 0.001 0.000 0.317 395 A C 0.485 178.159 177.584 0.150 0.000 1.134 395 A CA 0.120 52.224 52.037 0.112 0.000 0.866 395 A CB 1.313 20.425 19.000 0.186 0.000 1.329 395 A HN 0.352 nan 8.150 nan 0.000 0.477 396 S N -0.218 115.604 115.700 0.203 0.000 2.600 396 S HA 0.203 4.673 4.470 0.001 0.000 0.265 396 S C 1.278 175.995 174.600 0.195 0.000 1.325 396 S CA 0.354 58.671 58.200 0.195 0.000 1.002 396 S CB 0.685 64.004 63.200 0.197 0.000 0.921 396 S HN 1.828 nan 8.310 nan 0.000 0.554 397 S N 1.455 117.228 115.700 0.121 0.000 2.493 397 S HA -0.126 4.345 4.470 0.001 0.000 0.243 397 S C 1.422 176.060 174.600 0.064 0.000 0.991 397 S CA 0.680 58.938 58.200 0.097 0.000 0.957 397 S CB -0.600 62.646 63.200 0.078 0.000 0.756 397 S HN 0.800 nan 8.310 nan 0.000 0.521 398 R N -0.482 120.028 120.500 0.017 0.000 2.313 398 R HA 0.209 4.549 4.340 0.001 0.000 0.199 398 R C -0.532 175.552 176.300 -0.360 0.000 0.958 398 R CA 0.268 56.282 56.100 -0.144 0.000 1.047 398 R CB -0.087 30.078 30.300 -0.224 0.000 0.955 398 R HN 0.494 nan 8.270 nan 0.000 0.481 399 Y N 0.003 120.159 120.300 -0.240 0.000 2.446 399 Y HA 0.377 4.928 4.550 0.001 0.000 0.338 399 Y C 0.261 175.896 175.900 -0.442 0.000 1.055 399 Y CA -1.194 56.571 58.100 -0.557 0.000 1.101 399 Y CB 1.857 39.676 38.460 -1.067 0.000 1.221 399 Y HN -0.272 nan 8.280 nan 0.000 0.460 400 V N 0.308 120.005 119.914 -0.361 0.000 2.962 400 V HA 0.666 4.787 4.120 0.001 0.000 0.313 400 V C -0.934 175.056 176.094 -0.175 0.000 1.099 400 V CA -1.362 60.794 62.300 -0.239 0.000 0.971 400 V CB 2.042 33.614 31.823 -0.418 0.000 1.028 400 V HN 0.824 nan 8.190 nan 0.000 0.430 401 R N 2.544 123.064 120.500 0.033 0.000 2.346 401 R HA 0.733 5.073 4.340 0.001 0.000 0.311 401 R C -1.397 174.939 176.300 0.060 0.000 0.983 401 R CA -0.728 55.435 56.100 0.106 0.000 0.880 401 R CB 1.337 31.608 30.300 -0.049 0.000 1.100 401 R HN 0.889 nan 8.270 nan 0.000 0.453 402 L N 2.734 124.027 121.223 0.116 0.000 2.313 402 L HA 0.334 4.675 4.340 0.001 0.000 0.283 402 L C 0.227 177.286 176.870 0.314 0.000 1.013 402 L CA -0.712 54.217 54.840 0.147 0.000 0.816 402 L CB 1.801 43.911 42.059 0.085 0.000 1.236 402 L HN 0.554 nan 8.230 nan 0.000 0.419 403 S N 3.147 119.041 115.700 0.324 0.000 2.499 403 S HA 0.388 4.859 4.470 0.001 0.000 0.275 403 S C 0.660 175.389 174.600 0.215 0.000 1.257 403 S CA -0.522 57.889 58.200 0.352 0.000 1.050 403 S CB 0.440 63.840 63.200 0.333 0.000 0.937 403 S HN 0.607 nan 8.310 nan 0.000 0.490 404 L N 5.764 127.044 121.223 0.095 0.000 2.700 404 L HA 0.319 4.660 4.340 0.001 0.000 0.234 404 L C 1.054 177.855 176.870 -0.115 0.000 1.156 404 L CA 0.089 54.961 54.840 0.054 0.000 0.946 404 L CB -0.196 41.881 42.059 0.030 0.000 1.216 404 L HN 0.771 nan 8.230 nan 0.000 0.493 405 I N -4.547 115.987 120.570 -0.061 0.000 4.025 405 I HA 0.232 4.403 4.170 0.001 0.000 0.336 405 I C 0.829 177.071 176.117 0.209 0.000 1.390 405 I CA -0.343 60.918 61.300 -0.065 0.000 1.099 405 I CB 0.073 38.102 38.000 0.048 0.000 1.049 405 I HN -0.002 nan 8.210 nan 0.000 0.394 406 K N 1.743 122.253 120.400 0.182 0.000 2.731 406 K HA 0.309 4.630 4.320 0.001 0.000 0.284 406 K C 0.652 177.389 176.600 0.228 0.000 1.027 406 K CA 0.035 56.454 56.287 0.219 0.000 1.040 406 K CB 0.239 32.861 32.500 0.203 0.000 1.334 406 K HN 0.256 nan 8.250 nan 0.000 0.498 407 T N -1.385 113.294 114.554 0.209 0.000 2.802 407 T HA -0.065 4.286 4.350 0.001 0.000 0.305 407 T C 1.189 176.012 174.700 0.205 0.000 1.053 407 T CA -0.302 61.914 62.100 0.194 0.000 1.058 407 T CB 1.048 70.017 68.868 0.168 0.000 0.988 407 T HN 0.511 nan 8.240 nan 0.000 0.539 408 Q N 0.631 120.537 119.800 0.177 0.000 2.135 408 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 408 Q C 1.652 177.791 176.000 0.232 0.000 0.981 408 Q CA 2.223 58.140 55.803 0.191 0.000 0.856 408 Q CB -0.679 28.138 28.738 0.131 0.000 0.902 408 Q HN 0.807 nan 8.270 nan 0.000 0.425 409 D N 0.340 120.866 120.400 0.210 0.000 2.104 409 D HA -0.167 4.474 4.640 0.001 0.000 0.194 409 D C 1.363 177.800 176.300 0.229 0.000 0.994 409 D CA 1.493 55.639 54.000 0.242 0.000 0.830 409 D CB -0.303 40.671 40.800 0.290 0.000 0.959 409 D HN 0.425 nan 8.370 nan 0.000 0.452 410 D N -0.232 120.305 120.400 0.228 0.000 2.117 410 D HA -0.160 4.481 4.640 0.001 0.000 0.197 410 D C 1.979 178.410 176.300 0.219 0.000 0.987 410 D CA 0.507 54.634 54.000 0.213 0.000 0.829 410 D CB -0.342 40.587 40.800 0.214 0.000 0.961 410 D HN 0.180 nan 8.370 nan 0.000 0.460 411 F N 2.284 122.296 119.950 0.102 0.000 2.134 411 F HA -0.179 4.349 4.527 0.001 0.000 0.299 411 F C 1.835 177.681 175.800 0.076 0.000 1.097 411 F CA 1.346 59.393 58.000 0.078 0.000 1.264 411 F CB -0.098 38.932 39.000 0.050 0.000 1.001 411 F HN -0.222 nan 8.300 nan 0.000 0.479 412 D N -0.086 120.363 120.400 0.082 0.000 2.117 412 D HA -0.192 4.449 4.640 0.001 0.000 0.197 412 D C 2.234 178.504 176.300 -0.051 0.000 0.987 412 D CA 1.452 55.446 54.000 -0.010 0.000 0.829 412 D CB -0.456 40.395 40.800 0.085 0.000 0.961 412 D HN 0.464 nan 8.370 nan 0.000 0.460 413 Q N -0.230 119.575 119.800 0.008 0.000 2.079 413 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 413 Q C 2.186 178.237 176.000 0.086 0.000 0.974 413 Q CA 0.487 56.301 55.803 0.020 0.000 0.840 413 Q CB -0.120 28.674 28.738 0.093 0.000 0.898 413 Q HN 0.180 nan 8.270 nan 0.000 0.430 414 L N 0.273 121.523 121.223 0.044 0.000 2.012 414 L HA -0.210 4.131 4.340 0.001 0.000 0.210 414 L C 2.044 178.869 176.870 -0.076 0.000 1.073 414 L CA 1.865 56.718 54.840 0.023 0.000 0.748 414 L CB -0.408 41.630 42.059 -0.036 0.000 0.891 414 L HN 0.247 nan 8.230 nan 0.000 0.431 415 M N -1.726 117.717 119.600 -0.263 0.000 2.175 415 M HA -0.212 4.269 4.480 0.001 0.000 0.264 415 M C 2.373 178.593 176.300 -0.134 0.000 1.063 415 M CA 1.617 56.751 55.300 -0.277 0.000 1.119 415 M CB -1.259 31.081 32.600 -0.432 0.000 1.377 415 M HN 0.460 nan 8.290 nan 0.000 0.415 416 Y N 0.205 120.369 120.300 -0.226 0.000 2.145 416 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 416 Y C 2.084 177.845 175.900 -0.231 0.000 1.145 416 Y CA 1.866 59.808 58.100 -0.265 0.000 1.148 416 Y CB -0.665 37.559 38.460 -0.393 0.000 0.981 416 Y HN 0.138 nan 8.280 nan 0.000 0.507 417 Y N -1.424 118.847 120.300 -0.047 0.000 2.314 417 Y HA -0.162 4.389 4.550 0.001 0.000 0.293 417 Y C 2.227 178.008 175.900 -0.198 0.000 1.129 417 Y CA 0.520 58.538 58.100 -0.136 0.000 1.201 417 Y CB -0.194 38.260 38.460 -0.011 0.000 0.999 417 Y HN 0.211 nan 8.280 nan 0.000 0.541 418 L N 0.977 122.184 121.223 -0.026 0.000 2.141 418 L HA -0.166 4.175 4.340 0.001 0.000 0.209 418 L C 2.242 179.039 176.870 -0.122 0.000 1.094 418 L CA 1.685 56.454 54.840 -0.118 0.000 0.763 418 L CB -0.597 41.396 42.059 -0.110 0.000 0.908 418 L HN 0.061 nan 8.230 nan 0.000 0.437 419 K N -0.732 119.579 120.400 -0.148 0.000 2.057 419 K HA -0.195 4.126 4.320 0.001 0.000 0.207 419 K C 1.671 178.191 176.600 -0.134 0.000 1.049 419 K CA 1.756 57.957 56.287 -0.144 0.000 0.931 419 K CB -0.071 32.316 32.500 -0.188 0.000 0.714 419 K HN 0.306 nan 8.250 nan 0.000 0.440 420 D N 0.468 120.761 120.400 -0.178 0.000 2.117 420 D HA -0.161 4.480 4.640 0.001 0.000 0.197 420 D C 1.917 178.172 176.300 -0.075 0.000 0.987 420 D CA 1.385 55.306 54.000 -0.133 0.000 0.829 420 D CB -0.066 40.649 40.800 -0.142 0.000 0.961 420 D HN 0.321 nan 8.370 nan 0.000 0.460 421 M N -0.116 119.440 119.600 -0.074 0.000 2.132 421 M HA -0.106 4.374 4.480 0.001 0.000 0.263 421 M C 2.297 178.618 176.300 0.035 0.000 1.065 421 M CA 0.726 56.005 55.300 -0.034 0.000 1.122 421 M CB -0.091 32.447 32.600 -0.102 0.000 1.365 421 M HN -0.127 nan 8.290 nan 0.000 0.411 422 V N 0.316 120.268 119.914 0.064 0.000 2.407 422 V HA -0.213 3.908 4.120 0.001 0.000 0.248 422 V C 2.132 178.215 176.094 -0.018 0.000 1.055 422 V CA 1.506 63.842 62.300 0.060 0.000 1.049 422 V CB -0.549 31.308 31.823 0.058 0.000 0.662 422 V HN 0.346 nan 8.190 nan 0.000 0.455 423 K N 0.097 120.488 120.400 -0.015 0.000 2.404 423 K HA 0.359 4.679 4.320 0.001 0.000 0.194 423 K C 0.787 177.400 176.600 0.022 0.000 1.023 423 K CA 0.240 56.527 56.287 -0.001 0.000 1.094 423 K CB -0.297 32.192 32.500 -0.018 0.000 0.841 423 K HN 0.440 nan 8.250 nan 0.000 0.523 424 A N 1.597 124.431 122.820 0.024 0.000 2.492 424 A HA 0.232 4.552 4.320 0.001 0.000 0.236 424 A C 0.469 178.154 177.584 0.168 0.000 1.078 424 A CA 0.547 52.626 52.037 0.070 0.000 0.773 424 A CB 0.351 19.386 19.000 0.059 0.000 1.023 424 A HN 0.023 nan 8.150 nan 0.000 0.504 425 K N 0.000 120.471 120.400 0.119 0.000 2.780 425 K HA 0.000 4.321 4.320 0.001 0.000 0.191 425 K CA 0.000 56.346 56.287 0.099 0.000 0.838 425 K CB 0.000 32.511 32.500 0.019 0.000 1.064 425 K HN 0.000 nan 8.250 nan 0.000 0.543