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 1b26_1_A DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMNLPFGGG DATA SEQUENCE KGGVRVDPKK LSRNELERLS RRFFSEIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDTYSMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKGAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKRG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.613 174.600 0.021 0.000 1.055 4 S CA 0.000 58.212 58.200 0.019 0.000 1.107 4 S CB 0.000 63.219 63.200 0.031 0.000 0.593 5 L N 0.777 122.026 121.223 0.043 0.000 2.042 5 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 5 L C 2.088 178.983 176.870 0.040 0.000 1.076 5 L CA 2.322 57.200 54.840 0.062 0.000 0.749 5 L CB -1.286 40.823 42.059 0.083 0.000 0.893 5 L HN 0.857 nan 8.230 nan 0.000 0.432 6 Y N 0.654 120.879 120.300 -0.124 0.000 2.133 6 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 6 Y C 2.421 178.143 175.900 -0.295 0.000 1.134 6 Y CA 2.135 60.083 58.100 -0.254 0.000 1.133 6 Y CB -0.385 37.922 38.460 -0.255 0.000 0.987 6 Y HN 0.370 nan 8.280 nan 0.000 0.502 7 E N -0.220 119.823 120.200 -0.261 0.000 2.160 7 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 7 E C 2.171 178.606 176.600 -0.274 0.000 0.991 7 E CA 1.737 57.943 56.400 -0.324 0.000 0.810 7 E CB -0.264 29.363 29.700 -0.121 0.000 0.742 7 E HN 0.576 nan 8.360 nan 0.000 0.466 8 M N 0.157 119.663 119.600 -0.156 0.000 2.132 8 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 8 M C 2.515 178.775 176.300 -0.067 0.000 1.065 8 M CA 1.362 56.623 55.300 -0.064 0.000 1.122 8 M CB -0.202 32.413 32.600 0.025 0.000 1.365 8 M HN 0.138 nan 8.290 nan 0.000 0.411 9 A N -0.064 122.653 122.820 -0.172 0.000 1.877 9 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 9 A C 2.240 179.612 177.584 -0.354 0.000 1.186 9 A CA 1.617 53.487 52.037 -0.278 0.000 0.620 9 A CB -1.042 17.494 19.000 -0.772 0.000 0.822 9 A HN 0.286 nan 8.150 nan 0.000 0.443 10 V N 0.041 119.532 119.914 -0.706 0.000 2.332 10 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 10 V C 2.525 178.572 176.094 -0.078 0.000 1.055 10 V CA 2.438 64.402 62.300 -0.561 0.000 1.038 10 V CB -0.729 30.637 31.823 -0.763 0.000 0.651 10 V HN 0.768 nan 8.190 nan 0.000 0.450 11 E N -0.331 119.800 120.200 -0.116 0.000 2.058 11 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 11 E C 2.316 178.901 176.600 -0.025 0.000 0.997 11 E CA 1.695 58.066 56.400 -0.048 0.000 0.801 11 E CB -0.098 29.570 29.700 -0.052 0.000 0.746 11 E HN 0.685 nan 8.360 nan 0.000 0.450 12 Q N -0.550 119.249 119.800 -0.001 0.000 2.124 12 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 12 Q C 2.082 178.011 176.000 -0.118 0.000 0.977 12 Q CA 1.451 57.217 55.803 -0.062 0.000 0.850 12 Q CB -0.271 28.459 28.738 -0.014 0.000 0.901 12 Q HN 0.369 nan 8.270 nan 0.000 0.429 13 F N 2.333 122.202 119.950 -0.136 0.000 2.102 13 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 13 F C 1.726 177.444 175.800 -0.136 0.000 1.105 13 F CA 1.379 59.290 58.000 -0.149 0.000 1.239 13 F CB -0.345 38.714 39.000 0.100 0.000 0.991 13 F HN 0.004 nan 8.300 nan 0.000 0.474 14 N N 1.054 119.588 118.700 -0.276 0.000 2.137 14 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 14 N C 1.900 177.217 175.510 -0.322 0.000 1.017 14 N CA 1.663 54.496 53.050 -0.362 0.000 0.859 14 N CB -0.469 37.955 38.487 -0.105 0.000 1.002 14 N HN 0.451 nan 8.380 nan 0.000 0.428 15 R N 0.912 121.275 120.500 -0.228 0.000 2.103 15 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 15 R C 2.293 178.465 176.300 -0.213 0.000 1.132 15 R CA 1.714 57.708 56.100 -0.177 0.000 0.925 15 R CB -0.623 29.595 30.300 -0.137 0.000 0.842 15 R HN 0.200 nan 8.270 nan 0.000 0.430 16 A N 1.227 123.889 122.820 -0.263 0.000 1.972 16 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 16 A C 2.364 179.750 177.584 -0.330 0.000 1.169 16 A CA 1.664 53.542 52.037 -0.265 0.000 0.635 16 A CB -0.613 18.248 19.000 -0.232 0.000 0.810 16 A HN 0.461 nan 8.150 nan 0.000 0.446 17 A N -0.678 121.850 122.820 -0.488 0.000 2.015 17 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 17 A C 2.346 179.774 177.584 -0.259 0.000 1.163 17 A CA 1.890 53.634 52.037 -0.488 0.000 0.646 17 A CB -0.554 17.937 19.000 -0.848 0.000 0.806 17 A HN 0.450 nan 8.150 nan 0.000 0.448 18 S N -0.170 115.404 115.700 -0.210 0.000 2.425 18 S HA 0.079 4.549 4.470 -0.000 0.000 0.225 18 S C 1.639 176.207 174.600 -0.053 0.000 1.024 18 S CA 0.511 58.644 58.200 -0.111 0.000 0.951 18 S CB -0.178 62.965 63.200 -0.096 0.000 0.796 18 S HN 0.463 nan 8.310 nan 0.000 0.498 19 L N 1.528 122.717 121.223 -0.057 0.000 2.275 19 L HA 0.080 4.420 4.340 -0.000 0.000 0.215 19 L C 0.985 177.959 176.870 0.174 0.000 1.119 19 L CA 1.019 55.887 54.840 0.047 0.000 0.790 19 L CB -0.790 41.270 42.059 0.002 0.000 0.919 19 L HN 0.505 nan 8.230 nan 0.000 0.443 20 M N -2.281 117.355 119.600 0.060 0.000 2.528 20 M HA 0.371 4.851 4.480 -0.000 0.000 0.321 20 M C -0.779 175.551 176.300 0.050 0.000 1.153 20 M CA -0.598 54.779 55.300 0.130 0.000 0.951 20 M CB 2.017 34.633 32.600 0.026 0.000 1.705 20 M HN -0.169 nan 8.290 nan 0.000 0.451 21 D N 3.639 124.078 120.400 0.066 0.000 2.541 21 D HA 0.223 4.863 4.640 -0.000 0.000 0.231 21 D C -0.926 175.393 176.300 0.032 0.000 1.163 21 D CA 0.175 54.197 54.000 0.036 0.000 1.077 21 D CB 0.372 41.193 40.800 0.035 0.000 1.110 21 D HN 0.387 nan 8.370 nan 0.000 0.499 22 L N 2.104 123.335 121.223 0.012 0.000 2.276 22 L HA 0.174 4.514 4.340 -0.000 0.000 0.286 22 L C 0.022 176.911 176.870 0.032 0.000 1.061 22 L CA -0.562 54.292 54.840 0.023 0.000 0.807 22 L CB 1.031 43.087 42.059 -0.004 0.000 1.177 22 L HN -0.007 nan 8.230 nan 0.000 0.429 23 E N 2.694 122.922 120.200 0.047 0.000 2.493 23 E HA -0.029 4.321 4.350 -0.000 0.000 0.255 23 E C 1.205 177.838 176.600 0.055 0.000 0.999 23 E CA 0.658 57.085 56.400 0.046 0.000 0.934 23 E CB 0.700 30.429 29.700 0.048 0.000 0.940 23 E HN 0.713 nan 8.360 nan 0.000 0.473 24 S N 3.629 119.355 115.700 0.044 0.000 2.369 24 S HA -0.268 4.202 4.470 -0.000 0.000 0.225 24 S C 1.530 176.170 174.600 0.067 0.000 1.043 24 S CA 1.994 60.225 58.200 0.051 0.000 1.074 24 S CB -0.241 62.981 63.200 0.036 0.000 0.962 24 S HN 0.792 nan 8.310 nan 0.000 0.433 25 D N 0.823 121.256 120.400 0.055 0.000 2.158 25 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 25 D C 2.040 178.382 176.300 0.070 0.000 0.995 25 D CA 1.138 55.170 54.000 0.055 0.000 0.846 25 D CB -0.714 40.110 40.800 0.041 0.000 0.941 25 D HN 0.472 nan 8.370 nan 0.000 0.456 26 L N 1.078 122.348 121.223 0.078 0.000 2.072 26 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 26 L C 2.587 179.543 176.870 0.142 0.000 1.079 26 L CA 1.781 56.677 54.840 0.094 0.000 0.752 26 L CB -0.971 41.142 42.059 0.090 0.000 0.906 26 L HN 0.098 nan 8.230 nan 0.000 0.436 27 A N -0.752 122.171 122.820 0.171 0.000 1.927 27 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 27 A C 2.202 179.947 177.584 0.268 0.000 1.185 27 A CA 1.920 54.130 52.037 0.288 0.000 0.639 27 A CB -0.672 18.481 19.000 0.254 0.000 0.820 27 A HN 0.531 nan 8.150 nan 0.000 0.451 28 E N -0.321 119.982 120.200 0.173 0.000 2.070 28 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 28 E C 2.339 179.008 176.600 0.115 0.000 1.004 28 E CA 1.826 58.305 56.400 0.132 0.000 0.805 28 E CB -0.674 29.080 29.700 0.091 0.000 0.744 28 E HN 0.688 nan 8.360 nan 0.000 0.451 29 V N -0.795 119.179 119.914 0.100 0.000 2.515 29 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 29 V C 2.252 178.390 176.094 0.073 0.000 1.058 29 V CA 1.298 63.639 62.300 0.067 0.000 1.064 29 V CB -0.662 31.188 31.823 0.045 0.000 0.675 29 V HN 0.130 nan 8.190 nan 0.000 0.461 30 L N -0.602 120.706 121.223 0.142 0.000 2.240 30 L HA 0.043 4.383 4.340 -0.000 0.000 0.211 30 L C 3.013 180.041 176.870 0.263 0.000 1.106 30 L CA 1.252 56.214 54.840 0.202 0.000 0.793 30 L CB -0.518 41.742 42.059 0.335 0.000 0.927 30 L HN 0.271 nan 8.230 nan 0.000 0.446 31 R N 0.185 120.772 120.500 0.145 0.000 2.052 31 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 31 R C 0.748 177.258 176.300 0.350 0.000 1.145 31 R CA 0.488 56.664 56.100 0.127 0.000 0.952 31 R CB -0.146 30.162 30.300 0.014 0.000 0.847 31 R HN 0.249 nan 8.270 nan 0.000 0.431 32 R N 1.942 122.580 120.500 0.230 0.000 2.537 32 R HA 0.107 4.447 4.340 -0.000 0.000 0.280 32 R C -2.345 174.067 176.300 0.187 0.000 1.058 32 R CA -1.510 54.706 56.100 0.193 0.000 1.057 32 R CB 0.111 30.465 30.300 0.090 0.000 0.973 32 R HN 0.046 nan 8.270 nan 0.000 0.438 33 P HA 0.045 nan 4.420 nan 0.000 0.279 33 P C -0.025 177.264 177.300 -0.019 0.000 1.239 33 P CA -0.371 62.822 63.100 0.156 0.000 0.789 33 P CB 0.972 32.740 31.700 0.113 0.000 0.933 34 K N 2.906 123.254 120.400 -0.087 0.000 1.985 34 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 34 K C 0.258 176.829 176.600 -0.049 0.000 1.047 34 K CA 1.365 57.606 56.287 -0.076 0.000 0.932 34 K CB 0.161 32.603 32.500 -0.098 0.000 0.716 34 K HN 0.396 nan 8.250 nan 0.000 0.439 35 R N -0.344 120.129 120.500 -0.046 0.000 2.744 35 R HA 0.461 4.801 4.340 -0.000 0.000 0.279 35 R C -1.615 174.665 176.300 -0.032 0.000 0.977 35 R CA -0.843 55.235 56.100 -0.037 0.000 0.906 35 R CB 2.722 32.998 30.300 -0.041 0.000 1.197 35 R HN -0.108 nan 8.270 nan 0.000 0.463 36 V N 3.436 123.336 119.914 -0.023 0.000 2.532 36 V HA 0.292 4.412 4.120 -0.000 0.000 0.294 36 V C -1.310 174.798 176.094 0.023 0.000 1.036 36 V CA -0.711 61.583 62.300 -0.010 0.000 0.876 36 V CB 1.894 33.695 31.823 -0.037 0.000 1.012 36 V HN 0.486 nan 8.190 nan 0.000 0.432 37 L N 7.016 128.269 121.223 0.050 0.000 2.305 37 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 37 L C -0.673 176.285 176.870 0.147 0.000 1.013 37 L CA 0.130 55.007 54.840 0.062 0.000 0.819 37 L CB 1.296 43.361 42.059 0.010 0.000 1.227 37 L HN 0.546 nan 8.230 nan 0.000 0.417 38 I N 6.234 126.894 120.570 0.150 0.000 2.389 38 I HA 0.494 4.664 4.170 -0.000 0.000 0.288 38 I C -0.682 175.506 176.117 0.119 0.000 0.999 38 I CA -0.942 60.477 61.300 0.199 0.000 1.129 38 I CB 1.785 39.929 38.000 0.240 0.000 1.288 38 I HN 0.414 nan 8.210 nan 0.000 0.444 39 V N 2.440 122.424 119.914 0.117 0.000 2.604 39 V HA 0.595 4.715 4.120 -0.000 0.000 0.305 39 V C -0.560 175.690 176.094 0.259 0.000 1.043 39 V CA -0.614 61.784 62.300 0.165 0.000 0.888 39 V CB 2.134 34.050 31.823 0.155 0.000 0.995 39 V HN 0.573 nan 8.190 nan 0.000 0.429 40 E N 4.694 125.033 120.200 0.232 0.000 2.149 40 E HA 0.455 4.805 4.350 -0.000 0.000 0.255 40 E C -1.195 175.561 176.600 0.260 0.000 0.888 40 E CA 0.005 56.513 56.400 0.179 0.000 0.742 40 E CB 1.858 31.595 29.700 0.062 0.000 1.164 40 E HN 0.809 nan 8.360 nan 0.000 0.422 41 F N 0.739 120.738 119.950 0.081 0.000 2.495 41 F HA 0.723 5.250 4.527 -0.000 0.000 0.327 41 F C -2.728 173.137 175.800 0.108 0.000 1.103 41 F CA -3.061 54.996 58.000 0.096 0.000 0.949 41 F CB 1.483 40.564 39.000 0.136 0.000 1.142 41 F HN 0.002 nan 8.300 nan 0.000 0.457 42 P HA 0.380 nan 4.420 nan 0.000 0.278 42 P C -1.147 176.198 177.300 0.075 0.000 1.238 42 P CA -0.472 62.629 63.100 0.001 0.000 0.794 42 P CB 1.789 33.498 31.700 0.016 0.000 0.955 43 V N 2.802 122.736 119.914 0.034 0.000 2.733 43 V HA 0.376 4.496 4.120 -0.000 0.000 0.306 43 V C 0.030 176.112 176.094 -0.020 0.000 1.084 43 V CA -0.791 61.553 62.300 0.073 0.000 0.905 43 V CB 2.028 33.942 31.823 0.151 0.000 1.010 43 V HN 0.434 nan 8.190 nan 0.000 0.424 44 R N 5.072 125.553 120.500 -0.031 0.000 2.248 44 R HA 0.430 4.770 4.340 -0.000 0.000 0.328 44 R C -0.106 176.142 176.300 -0.088 0.000 1.067 44 R CA -0.506 55.549 56.100 -0.076 0.000 0.924 44 R CB 0.459 30.733 30.300 -0.043 0.000 1.013 44 R HN 0.587 nan 8.270 nan 0.000 0.454 45 M N 2.939 122.441 119.600 -0.163 0.000 2.228 45 M HA 0.018 4.498 4.480 -0.000 0.000 0.326 45 M C 1.024 177.306 176.300 -0.031 0.000 1.122 45 M CA 0.132 55.366 55.300 -0.109 0.000 1.161 45 M CB 0.607 33.089 32.600 -0.197 0.000 1.437 45 M HN 0.642 nan 8.290 nan 0.000 0.465 46 D N 1.296 121.695 120.400 -0.002 0.000 2.172 46 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 46 D C 0.718 177.035 176.300 0.029 0.000 0.999 46 D CA 1.555 55.559 54.000 0.007 0.000 0.856 46 D CB -0.052 40.753 40.800 0.008 0.000 0.934 46 D HN 0.642 nan 8.370 nan 0.000 0.453 47 D N -0.621 119.822 120.400 0.071 0.000 2.504 47 D HA 0.079 4.719 4.640 -0.000 0.000 0.243 47 D C 1.311 177.668 176.300 0.096 0.000 1.203 47 D CA 0.551 54.600 54.000 0.082 0.000 0.847 47 D CB -0.226 40.631 40.800 0.094 0.000 0.973 47 D HN 0.207 nan 8.370 nan 0.000 0.490 48 G N 1.756 110.590 108.800 0.056 0.000 2.205 48 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.269 48 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.269 48 G C 0.403 175.340 174.900 0.062 0.000 0.977 48 G CA 0.908 46.033 45.100 0.041 0.000 0.652 48 G HN 0.847 nan 8.290 nan 0.000 0.539 49 H N 0.068 119.128 119.070 -0.017 0.000 2.502 49 H HA 0.626 5.182 4.556 -0.000 0.000 0.327 49 H C -0.037 175.275 175.328 -0.028 0.000 1.099 49 H CA -0.368 55.665 56.048 -0.025 0.000 1.323 49 H CB 1.438 31.180 29.762 -0.033 0.000 1.450 49 H HN 0.084 nan 8.280 nan 0.000 0.502 50 V N 3.686 123.490 119.914 -0.183 0.000 2.649 50 V HA 0.154 4.274 4.120 -0.000 0.000 0.292 50 V C 0.483 176.391 176.094 -0.309 0.000 1.055 50 V CA -0.215 61.949 62.300 -0.228 0.000 1.023 50 V CB 1.021 32.788 31.823 -0.093 0.000 0.992 50 V HN 0.891 nan 8.190 nan 0.000 0.480 51 E N 2.428 122.433 120.200 -0.325 0.000 2.263 51 E HA 0.543 4.893 4.350 -0.000 0.000 0.268 51 E C -1.665 174.665 176.600 -0.450 0.000 0.884 51 E CA -0.568 55.601 56.400 -0.385 0.000 0.766 51 E CB 2.211 31.633 29.700 -0.464 0.000 1.196 51 E HN 0.469 nan 8.360 nan 0.000 0.416 52 V N 4.734 124.363 119.914 -0.475 0.000 2.509 52 V HA 0.433 4.552 4.120 -0.000 0.000 0.284 52 V C -0.415 175.248 176.094 -0.718 0.000 1.047 52 V CA -0.218 61.811 62.300 -0.450 0.000 0.952 52 V CB 0.394 32.064 31.823 -0.256 0.000 0.988 52 V HN 0.530 nan 8.190 nan 0.000 0.469 53 F N 1.026 120.601 119.950 -0.625 0.000 2.556 53 F HA 0.585 5.112 4.527 -0.000 0.000 0.327 53 F C 0.622 176.140 175.800 -0.471 0.000 1.059 53 F CA -0.629 57.006 58.000 -0.609 0.000 0.953 53 F CB 2.110 40.625 39.000 -0.809 0.000 1.227 53 F HN 0.329 nan 8.300 nan 0.000 0.478 54 T N 1.174 115.700 114.554 -0.046 0.000 2.767 54 T HA 0.652 5.002 4.350 -0.000 0.000 0.284 54 T C 0.023 174.649 174.700 -0.123 0.000 0.973 54 T CA -0.734 61.318 62.100 -0.081 0.000 0.996 54 T CB 1.166 69.936 68.868 -0.163 0.000 0.927 54 T HN 0.845 nan 8.240 nan 0.000 0.456 55 G N 1.879 110.648 108.800 -0.052 0.000 2.563 55 G HA2 0.719 4.679 3.960 -0.000 0.000 0.302 55 G HA3 0.719 4.679 3.960 -0.000 0.000 0.302 55 G C -1.925 172.870 174.900 -0.175 0.000 1.301 55 G CA -0.742 44.312 45.100 -0.077 0.000 0.965 55 G HN 0.616 nan 8.290 nan 0.000 0.480 56 Y N -0.466 120.007 120.300 0.288 0.000 2.581 56 Y HA 0.830 5.380 4.550 -0.000 0.000 0.345 56 Y C 0.069 176.107 175.900 0.230 0.000 1.036 56 Y CA -1.274 56.952 58.100 0.209 0.000 1.042 56 Y CB 2.892 41.424 38.460 0.119 0.000 1.289 56 Y HN 0.605 nan 8.280 nan 0.000 0.471 57 R N 0.781 121.451 120.500 0.284 0.000 2.508 57 R HA 0.718 5.058 4.340 -0.000 0.000 0.283 57 R C -2.634 173.703 176.300 0.062 0.000 1.120 57 R CA -0.537 55.645 56.100 0.137 0.000 0.958 57 R CB 1.498 31.808 30.300 0.017 0.000 1.215 57 R HN 0.549 nan 8.270 nan 0.000 0.427 58 V N 5.053 124.984 119.914 0.029 0.000 2.487 58 V HA 0.481 4.601 4.120 -0.000 0.000 0.298 58 V C -0.556 175.524 176.094 -0.023 0.000 1.028 58 V CA -0.707 61.588 62.300 -0.008 0.000 0.860 58 V CB 1.954 33.759 31.823 -0.030 0.000 0.991 58 V HN 0.685 nan 8.190 nan 0.000 0.427 59 Q N 3.204 122.984 119.800 -0.033 0.000 2.425 59 Q HA 0.340 4.680 4.340 -0.000 0.000 0.254 59 Q C 0.710 176.695 176.000 -0.026 0.000 1.032 59 Q CA -0.448 55.327 55.803 -0.047 0.000 0.798 59 Q CB 1.348 30.044 28.738 -0.071 0.000 1.210 59 Q HN 0.848 nan 8.270 nan 0.000 0.491 60 H N 2.912 121.917 119.070 -0.108 0.000 2.284 60 H HA 0.002 4.558 4.556 0.000 0.000 0.304 60 H C -0.197 175.063 175.328 -0.114 0.000 1.069 60 H CA 1.222 57.206 56.048 -0.105 0.000 1.327 60 H CB 0.772 30.457 29.762 -0.128 0.000 1.387 60 H HN 0.493 nan 8.280 nan 0.000 0.498 61 N N -0.815 117.680 118.700 -0.342 0.000 2.336 61 N HA 0.152 4.892 4.740 -0.000 0.000 0.290 61 N C -0.511 174.890 175.510 -0.180 0.000 1.058 61 N CA -0.396 52.442 53.050 -0.354 0.000 0.865 61 N CB 2.281 40.488 38.487 -0.467 0.000 1.581 61 N HN -0.031 nan 8.380 nan 0.000 0.480 62 V N 2.195 122.032 119.914 -0.128 0.000 3.477 62 V HA 0.309 4.429 4.120 -0.000 0.000 0.297 62 V C 1.807 177.875 176.094 -0.043 0.000 1.433 62 V CA 0.600 62.857 62.300 -0.071 0.000 1.052 62 V CB -0.163 31.627 31.823 -0.055 0.000 0.895 62 V HN 0.783 nan 8.190 nan 0.000 0.438 63 A N 1.440 124.228 122.820 -0.053 0.000 1.903 63 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 63 A C 2.315 179.897 177.584 -0.004 0.000 1.191 63 A CA 2.086 54.108 52.037 -0.025 0.000 0.638 63 A CB -0.377 18.613 19.000 -0.017 0.000 0.823 63 A HN 0.478 nan 8.150 nan 0.000 0.451 64 R N -1.017 119.484 120.500 0.000 0.000 2.240 64 R HA 0.236 4.576 4.340 -0.000 0.000 0.203 64 R C 0.936 177.243 176.300 0.010 0.000 1.011 64 R CA 0.762 56.869 56.100 0.012 0.000 1.007 64 R CB -0.045 30.263 30.300 0.013 0.000 0.911 64 R HN 0.631 nan 8.270 nan 0.000 0.468 65 G N 0.714 109.525 108.800 0.019 0.000 2.327 65 G HA2 0.028 3.988 3.960 -0.000 0.000 0.291 65 G HA3 0.028 3.988 3.960 -0.000 0.000 0.291 65 G C -3.074 171.861 174.900 0.059 0.000 1.290 65 G CA -1.110 44.021 45.100 0.052 0.000 0.857 65 G HN -0.232 nan 8.290 nan 0.000 0.520 66 P HA 0.394 nan 4.420 nan 0.000 0.265 66 P C 0.354 177.617 177.300 -0.061 0.000 1.193 66 P CA 0.712 63.820 63.100 0.014 0.000 0.765 66 P CB 0.837 32.529 31.700 -0.013 0.000 0.823 67 A N 3.430 126.181 122.820 -0.115 0.000 2.546 67 A HA 0.165 4.485 4.320 -0.000 0.000 0.243 67 A C 0.455 177.867 177.584 -0.286 0.000 1.063 67 A CA 0.518 52.459 52.037 -0.160 0.000 0.757 67 A CB -0.443 18.475 19.000 -0.136 0.000 0.991 67 A HN 0.471 nan 8.150 nan 0.000 0.503 68 K N 1.126 121.337 120.400 -0.316 0.000 2.324 68 K HA 0.705 5.025 4.320 -0.000 0.000 0.253 68 K C -0.323 176.114 176.600 -0.272 0.000 0.932 68 K CA 0.419 56.429 56.287 -0.461 0.000 0.799 68 K CB 1.809 33.870 32.500 -0.733 0.000 1.154 68 K HN 1.433 nan 8.250 nan 0.000 0.425 69 G N 1.139 109.796 108.800 -0.238 0.000 2.443 69 G HA2 0.424 4.384 3.960 -0.000 0.000 0.303 69 G HA3 0.424 4.384 3.960 -0.000 0.000 0.303 69 G C -0.595 174.243 174.900 -0.103 0.000 1.613 69 G CA -0.397 44.621 45.100 -0.136 0.000 0.879 69 G HN 0.725 nan 8.290 nan 0.000 0.632 70 G N -0.754 108.007 108.800 -0.065 0.000 2.651 70 G HA2 0.579 4.539 3.960 -0.000 0.000 0.260 70 G HA3 0.579 4.539 3.960 -0.000 0.000 0.260 70 G C -0.113 174.782 174.900 -0.007 0.000 1.216 70 G CA -0.584 44.489 45.100 -0.044 0.000 0.913 70 G HN 0.749 nan 8.290 nan 0.000 0.535 71 I N -0.125 120.442 120.570 -0.004 0.000 2.509 71 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 71 I C 0.028 176.118 176.117 -0.045 0.000 1.020 71 I CA -0.641 60.675 61.300 0.027 0.000 1.088 71 I CB 2.242 40.294 38.000 0.085 0.000 1.267 71 I HN 0.335 nan 8.210 nan 0.000 0.430 72 R N 5.083 125.590 120.500 0.012 0.000 2.589 72 R HA 0.518 4.858 4.340 -0.000 0.000 0.293 72 R C -1.457 174.951 176.300 0.179 0.000 0.963 72 R CA -0.693 55.433 56.100 0.044 0.000 0.905 72 R CB 2.022 32.380 30.300 0.097 0.000 1.144 72 R HN 0.558 nan 8.270 nan 0.000 0.459 73 Y N 2.798 123.147 120.300 0.082 0.000 2.464 73 Y HA 0.292 4.842 4.550 -0.000 0.000 0.326 73 Y C -0.135 175.864 175.900 0.164 0.000 0.969 73 Y CA -0.683 57.458 58.100 0.068 0.000 1.270 73 Y CB 1.138 39.621 38.460 0.038 0.000 1.103 73 Y HN 0.457 nan 8.280 nan 0.000 0.491 74 H N 5.250 124.424 119.070 0.173 0.000 3.086 74 H HA 0.117 4.673 4.556 -0.000 0.000 0.353 74 H C -2.406 172.980 175.328 0.097 0.000 1.134 74 H CA -1.817 54.301 56.048 0.116 0.000 1.248 74 H CB 3.319 33.147 29.762 0.110 0.000 1.878 74 H HN 0.277 nan 8.280 nan 0.000 0.527 75 P HA -0.088 nan 4.420 nan 0.000 0.220 75 P C -0.225 177.018 177.300 -0.094 0.000 1.148 75 P CA 0.949 63.949 63.100 -0.168 0.000 0.803 75 P CB 0.583 32.157 31.700 -0.209 0.000 0.782 76 D N 0.521 120.834 120.400 -0.145 0.000 2.493 76 D HA 0.306 4.946 4.640 -0.000 0.000 0.235 76 D C -0.661 175.812 176.300 0.289 0.000 1.117 76 D CA -0.213 53.849 54.000 0.103 0.000 0.930 76 D CB 1.356 42.229 40.800 0.122 0.000 1.010 76 D HN -0.096 nan 8.370 nan 0.000 0.514 77 V N 2.033 122.082 119.914 0.226 0.000 2.488 77 V HA 0.239 4.358 4.120 -0.000 0.000 0.293 77 V C 0.073 176.287 176.094 0.201 0.000 1.027 77 V CA -0.495 61.946 62.300 0.234 0.000 0.862 77 V CB 2.114 34.109 31.823 0.287 0.000 1.008 77 V HN 0.289 nan 8.190 nan 0.000 0.428 78 T N 4.741 119.344 114.554 0.083 0.000 2.902 78 T HA 0.342 4.692 4.350 -0.000 0.000 0.283 78 T C 1.004 175.555 174.700 -0.249 0.000 1.009 78 T CA -0.429 61.656 62.100 -0.026 0.000 1.051 78 T CB 1.962 70.824 68.868 -0.011 0.000 0.999 78 T HN 0.468 nan 8.240 nan 0.000 0.474 79 L N 1.983 122.886 121.223 -0.533 0.000 2.043 79 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 79 L C 1.987 178.640 176.870 -0.362 0.000 1.075 79 L CA 2.101 56.504 54.840 -0.728 0.000 0.752 79 L CB -0.817 40.871 42.059 -0.618 0.000 0.891 79 L HN 0.858 nan 8.230 nan 0.000 0.432 80 D N -0.943 119.318 120.400 -0.233 0.000 2.123 80 D HA -0.291 4.349 4.640 -0.000 0.000 0.196 80 D C 2.136 178.383 176.300 -0.089 0.000 0.992 80 D CA 1.556 55.464 54.000 -0.153 0.000 0.833 80 D CB -0.111 40.646 40.800 -0.071 0.000 0.954 80 D HN 0.623 nan 8.370 nan 0.000 0.455 81 E N -0.573 119.592 120.200 -0.058 0.000 2.051 81 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 81 E C 2.118 178.719 176.600 0.002 0.000 0.991 81 E CA 1.107 57.512 56.400 0.009 0.000 0.799 81 E CB 0.091 29.811 29.700 0.034 0.000 0.748 81 E HN 0.189 nan 8.360 nan 0.000 0.449 82 V N 1.473 121.352 119.914 -0.058 0.000 2.261 82 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 82 V C 2.362 178.417 176.094 -0.064 0.000 1.047 82 V CA 2.143 64.418 62.300 -0.043 0.000 1.015 82 V CB -0.519 31.258 31.823 -0.077 0.000 0.642 82 V HN 0.250 nan 8.190 nan 0.000 0.446 83 K N 0.107 120.412 120.400 -0.157 0.000 2.044 83 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 83 K C 2.316 178.859 176.600 -0.094 0.000 1.049 83 K CA 1.719 57.866 56.287 -0.233 0.000 0.927 83 K CB -0.516 31.650 32.500 -0.556 0.000 0.713 83 K HN 0.493 nan 8.250 nan 0.000 0.443 84 A N 1.502 124.321 122.820 -0.002 0.000 1.865 84 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 84 A C 2.163 179.739 177.584 -0.014 0.000 1.191 84 A CA 1.432 53.478 52.037 0.015 0.000 0.623 84 A CB -0.776 18.269 19.000 0.074 0.000 0.826 84 A HN 0.189 nan 8.150 nan 0.000 0.444 85 L N -0.823 120.480 121.223 0.134 0.000 2.083 85 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 85 L C 3.052 180.004 176.870 0.137 0.000 1.083 85 L CA 1.042 56.028 54.840 0.243 0.000 0.752 85 L CB -0.642 41.519 42.059 0.171 0.000 0.899 85 L HN 0.456 nan 8.230 nan 0.000 0.433 86 A N -0.061 122.779 122.820 0.034 0.000 1.898 86 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 86 A C 2.172 179.689 177.584 -0.111 0.000 1.181 86 A CA 1.271 53.297 52.037 -0.018 0.000 0.620 86 A CB -0.781 18.210 19.000 -0.016 0.000 0.819 86 A HN 0.362 nan 8.150 nan 0.000 0.442 87 F N -0.562 119.147 119.950 -0.402 0.000 2.091 87 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 87 F C 2.057 177.513 175.800 -0.574 0.000 1.103 87 F CA 1.793 59.339 58.000 -0.756 0.000 1.228 87 F CB -0.585 37.998 39.000 -0.695 0.000 0.984 87 F HN 0.441 nan 8.300 nan 0.000 0.477 88 W N -0.482 120.784 121.300 -0.056 0.000 2.358 88 W HA -0.276 4.384 4.660 0.000 0.000 0.303 88 W C 2.429 178.849 176.519 -0.164 0.000 1.208 88 W CA 0.459 57.800 57.345 -0.007 0.000 1.274 88 W CB -0.484 29.058 29.460 0.135 0.000 1.138 88 W HN -0.037 nan 8.180 nan 0.000 0.515 89 M N 0.216 119.853 119.600 0.061 0.000 2.106 89 M HA -0.207 4.273 4.480 -0.000 0.000 0.259 89 M C 1.870 178.079 176.300 -0.151 0.000 1.068 89 M CA 2.007 57.288 55.300 -0.033 0.000 1.100 89 M CB -1.987 30.581 32.600 -0.054 0.000 1.351 89 M HN -0.031 nan 8.290 nan 0.000 0.404 90 T N -0.603 113.718 114.554 -0.388 0.000 2.665 90 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 90 T C 1.565 176.043 174.700 -0.370 0.000 1.035 90 T CA 1.881 63.660 62.100 -0.534 0.000 1.151 90 T CB -0.535 67.736 68.868 -0.996 0.000 0.862 90 T HN 0.576 nan 8.240 nan 0.000 0.438 91 W N 1.257 122.555 121.300 -0.004 0.000 2.436 91 W HA 0.149 4.809 4.660 -0.000 0.000 0.284 91 W C 2.593 179.109 176.519 -0.006 0.000 1.225 91 W CA -0.047 57.309 57.345 0.017 0.000 1.271 91 W CB -0.091 29.432 29.460 0.105 0.000 1.114 91 W HN 0.146 nan 8.180 nan 0.000 0.559 92 K N 0.774 121.270 120.400 0.160 0.000 2.057 92 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 92 K C 2.195 178.817 176.600 0.036 0.000 1.050 92 K CA 2.133 58.462 56.287 0.070 0.000 0.935 92 K CB -0.338 32.194 32.500 0.054 0.000 0.715 92 K HN 0.134 nan 8.250 nan 0.000 0.439 93 T N -1.315 113.256 114.554 0.028 0.000 2.737 93 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 93 T C 2.052 176.759 174.700 0.012 0.000 1.038 93 T CA 0.954 63.068 62.100 0.024 0.000 1.144 93 T CB -0.462 68.438 68.868 0.053 0.000 0.866 93 T HN 0.204 nan 8.240 nan 0.000 0.434 94 A N 1.256 124.105 122.820 0.048 0.000 1.883 94 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 94 A C 2.670 180.283 177.584 0.049 0.000 1.186 94 A CA 1.814 53.895 52.037 0.072 0.000 0.624 94 A CB -1.388 17.719 19.000 0.177 0.000 0.822 94 A HN 0.448 nan 8.150 nan 0.000 0.444 95 V N -0.468 119.475 119.914 0.049 0.000 2.407 95 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 95 V C 2.211 178.300 176.094 -0.007 0.000 1.055 95 V CA 2.325 64.627 62.300 0.003 0.000 1.049 95 V CB -0.445 31.354 31.823 -0.040 0.000 0.662 95 V HN 0.535 nan 8.190 nan 0.000 0.455 96 M N -0.360 119.234 119.600 -0.009 0.000 2.562 96 M HA 0.096 4.576 4.480 -0.000 0.000 0.257 96 M C 1.156 177.435 176.300 -0.034 0.000 1.099 96 M CA 0.717 56.009 55.300 -0.014 0.000 1.099 96 M CB -1.784 30.802 32.600 -0.023 0.000 1.427 96 M HN 0.704 nan 8.290 nan 0.000 0.489 97 N N 1.417 120.091 118.700 -0.043 0.000 2.780 97 N HA -0.161 4.579 4.740 -0.000 0.000 0.247 97 N C -1.308 174.104 175.510 -0.163 0.000 1.076 97 N CA -0.089 52.923 53.050 -0.063 0.000 0.688 97 N CB -0.799 37.672 38.487 -0.027 0.000 0.957 97 N HN 0.283 nan 8.380 nan 0.000 0.551 98 L N 0.972 122.051 121.223 -0.239 0.000 2.322 98 L HA 0.506 4.846 4.340 -0.000 0.000 0.279 98 L C -1.531 175.036 176.870 -0.505 0.000 1.036 98 L CA -1.753 52.765 54.840 -0.538 0.000 0.807 98 L CB 1.269 43.018 42.059 -0.517 0.000 1.226 98 L HN 0.012 nan 8.230 nan 0.000 0.433 99 P HA 0.127 nan 4.420 nan 0.000 0.225 99 P C -0.873 176.137 177.300 -0.483 0.000 1.768 99 P CA 0.494 63.339 63.100 -0.426 0.000 0.943 99 P CB -0.458 31.092 31.700 -0.251 0.000 1.936 100 F N -0.553 119.302 119.950 -0.160 0.000 2.611 100 F HA 0.650 5.177 4.527 -0.000 0.000 0.324 100 F C 1.305 177.014 175.800 -0.151 0.000 1.061 100 F CA -1.117 56.769 58.000 -0.189 0.000 0.954 100 F CB 2.076 40.940 39.000 -0.228 0.000 1.301 100 F HN -0.017 nan 8.300 nan 0.000 0.482 101 G N -0.344 108.500 108.800 0.073 0.000 2.857 101 G HA2 0.581 4.541 3.960 -0.000 0.000 0.217 101 G HA3 0.581 4.541 3.960 -0.000 0.000 0.217 101 G C -1.035 173.809 174.900 -0.094 0.000 1.357 101 G CA -0.822 44.252 45.100 -0.044 0.000 1.033 101 G HN 0.853 nan 8.290 nan 0.000 0.571 102 G N -1.473 107.251 108.800 -0.127 0.000 2.544 102 G HA2 0.668 4.628 3.960 -0.000 0.000 0.313 102 G HA3 0.668 4.628 3.960 -0.000 0.000 0.313 102 G C -0.446 174.401 174.900 -0.089 0.000 1.316 102 G CA 0.173 45.198 45.100 -0.126 0.000 0.944 102 G HN 1.092 nan 8.290 nan 0.000 0.489 103 G N 0.689 109.432 108.800 -0.094 0.000 2.692 103 G HA2 0.727 4.687 3.960 -0.000 0.000 0.291 103 G HA3 0.727 4.687 3.960 -0.000 0.000 0.291 103 G C -1.650 173.217 174.900 -0.055 0.000 1.423 103 G CA -0.650 44.404 45.100 -0.077 0.000 0.843 103 G HN 0.552 nan 8.290 nan 0.000 0.486 104 K N -1.202 119.183 120.400 -0.025 0.000 2.625 104 K HA 0.737 5.057 4.320 -0.000 0.000 0.284 104 K C -0.600 176.034 176.600 0.056 0.000 0.984 104 K CA -0.279 56.014 56.287 0.011 0.000 0.865 104 K CB 2.030 34.546 32.500 0.026 0.000 1.468 104 K HN 1.290 nan 8.250 nan 0.000 0.407 105 G N -0.788 108.076 108.800 0.106 0.000 2.660 105 G HA2 0.771 4.731 3.960 -0.000 0.000 0.290 105 G HA3 0.771 4.731 3.960 -0.000 0.000 0.290 105 G C -1.117 173.917 174.900 0.223 0.000 1.432 105 G CA -0.180 45.049 45.100 0.216 0.000 0.807 105 G HN 0.699 nan 8.290 nan 0.000 0.485 106 G N -1.828 107.136 108.800 0.273 0.000 2.519 106 G HA2 0.616 4.576 3.960 -0.000 0.000 0.292 106 G HA3 0.616 4.576 3.960 -0.000 0.000 0.292 106 G C -1.959 172.975 174.900 0.057 0.000 1.507 106 G CA -0.297 44.909 45.100 0.177 0.000 0.806 106 G HN 1.246 nan 8.290 nan 0.000 0.523 107 V N 0.776 120.712 119.914 0.036 0.000 2.487 107 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 107 V C 0.512 176.638 176.094 0.055 0.000 1.028 107 V CA -0.914 61.347 62.300 -0.065 0.000 0.860 107 V CB 1.753 33.454 31.823 -0.204 0.000 0.991 107 V HN 0.797 nan 8.190 nan 0.000 0.427 108 R N 3.329 123.861 120.500 0.053 0.000 2.441 108 R HA 0.519 4.859 4.340 -0.000 0.000 0.300 108 R C -1.049 175.306 176.300 0.091 0.000 1.284 108 R CA 0.199 56.356 56.100 0.096 0.000 1.069 108 R CB 0.367 30.725 30.300 0.097 0.000 1.087 108 R HN 0.556 nan 8.270 nan 0.000 0.519 109 V N 3.218 123.150 119.914 0.029 0.000 3.077 109 V HA 0.174 4.294 4.120 -0.000 0.000 0.299 109 V C -1.817 174.249 176.094 -0.047 0.000 1.276 109 V CA -0.979 61.313 62.300 -0.014 0.000 0.993 109 V CB 2.361 34.003 31.823 -0.301 0.000 1.076 109 V HN 0.657 nan 8.190 nan 0.000 0.434 110 D N 7.332 127.716 120.400 -0.027 0.000 2.467 110 D HA 0.456 5.096 4.640 -0.000 0.000 0.220 110 D C -1.270 175.012 176.300 -0.030 0.000 1.103 110 D CA -2.055 51.927 54.000 -0.029 0.000 0.886 110 D CB 2.028 42.813 40.800 -0.024 0.000 1.025 110 D HN 0.428 nan 8.370 nan 0.000 0.514 111 P HA -0.192 nan 4.420 nan 0.000 0.217 111 P C 0.879 178.181 177.300 0.004 0.000 1.148 111 P CA 0.931 64.014 63.100 -0.028 0.000 0.828 111 P CB 0.425 32.157 31.700 0.053 0.000 0.783 112 K N -0.330 120.082 120.400 0.020 0.000 2.362 112 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 112 K C 1.681 178.290 176.600 0.015 0.000 1.046 112 K CA 0.780 57.081 56.287 0.023 0.000 0.952 112 K CB -0.023 32.494 32.500 0.027 0.000 0.753 112 K HN 0.102 nan 8.250 nan 0.000 0.466 113 K N 0.363 120.769 120.400 0.010 0.000 2.393 113 K HA 0.182 4.502 4.320 -0.000 0.000 0.193 113 K C 0.584 177.194 176.600 0.018 0.000 1.026 113 K CA 0.253 56.550 56.287 0.016 0.000 1.064 113 K CB 0.361 32.874 32.500 0.023 0.000 0.833 113 K HN 0.107 nan 8.250 nan 0.000 0.521 114 L N 1.405 122.628 121.223 0.001 0.000 2.334 114 L HA 0.272 4.612 4.340 -0.000 0.000 0.273 114 L C 0.422 177.288 176.870 -0.006 0.000 1.013 114 L CA -0.785 54.048 54.840 -0.012 0.000 0.816 114 L CB 1.814 43.832 42.059 -0.069 0.000 1.278 114 L HN -0.065 nan 8.230 nan 0.000 0.431 115 S N 0.747 116.442 115.700 -0.008 0.000 2.646 115 S HA 0.309 4.779 4.470 -0.000 0.000 0.276 115 S C 0.794 175.389 174.600 -0.008 0.000 1.222 115 S CA -0.759 57.441 58.200 -0.001 0.000 1.014 115 S CB 1.977 65.176 63.200 -0.002 0.000 0.991 115 S HN 0.659 nan 8.310 nan 0.000 0.533 116 R N 2.112 122.623 120.500 0.019 0.000 2.159 116 R HA -0.250 4.090 4.340 -0.000 0.000 0.249 116 R C 1.576 177.839 176.300 -0.061 0.000 1.136 116 R CA 2.742 58.868 56.100 0.043 0.000 0.951 116 R CB -1.538 28.805 30.300 0.071 0.000 0.876 116 R HN 0.860 nan 8.270 nan 0.000 0.440 117 N N 0.040 118.693 118.700 -0.079 0.000 2.043 117 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 117 N C 1.599 177.004 175.510 -0.174 0.000 1.037 117 N CA 1.966 54.932 53.050 -0.140 0.000 0.851 117 N CB -0.202 38.233 38.487 -0.086 0.000 1.027 117 N HN 0.456 nan 8.380 nan 0.000 0.422 118 E N 0.034 120.164 120.200 -0.116 0.000 2.085 118 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 118 E C 1.859 178.354 176.600 -0.175 0.000 0.994 118 E CA 0.689 57.019 56.400 -0.117 0.000 0.801 118 E CB -0.191 29.468 29.700 -0.069 0.000 0.743 118 E HN 0.205 nan 8.360 nan 0.000 0.453 119 L N 1.608 122.730 121.223 -0.168 0.000 1.989 119 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 119 L C 2.377 179.084 176.870 -0.272 0.000 1.071 119 L CA 2.007 56.749 54.840 -0.163 0.000 0.749 119 L CB -0.365 41.699 42.059 0.008 0.000 0.890 119 L HN 0.091 nan 8.230 nan 0.000 0.431 120 E N -0.633 119.204 120.200 -0.604 0.000 2.049 120 E HA -0.306 4.044 4.350 -0.000 0.000 0.198 120 E C 2.362 178.638 176.600 -0.541 0.000 1.007 120 E CA 1.649 57.352 56.400 -1.162 0.000 0.809 120 E CB -0.139 28.730 29.700 -1.386 0.000 0.749 120 E HN 0.449 nan 8.360 nan 0.000 0.450 121 R N 0.192 120.492 120.500 -0.334 0.000 2.091 121 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 121 R C 2.690 178.968 176.300 -0.036 0.000 1.136 121 R CA 1.433 57.440 56.100 -0.154 0.000 0.959 121 R CB -0.457 29.779 30.300 -0.107 0.000 0.856 121 R HN 0.311 nan 8.270 nan 0.000 0.437 122 L N 0.368 121.553 121.223 -0.064 0.000 2.017 122 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 122 L C 2.094 179.089 176.870 0.208 0.000 1.073 122 L CA 1.649 56.512 54.840 0.038 0.000 0.745 122 L CB -0.225 41.661 42.059 -0.287 0.000 0.894 122 L HN 0.067 nan 8.230 nan 0.000 0.432 123 S N -0.247 115.545 115.700 0.152 0.000 2.359 123 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 123 S C 1.948 176.790 174.600 0.402 0.000 1.035 123 S CA 1.479 59.895 58.200 0.360 0.000 1.018 123 S CB -0.319 63.010 63.200 0.216 0.000 0.876 123 S HN 0.444 nan 8.310 nan 0.000 0.448 124 R N 0.654 121.267 120.500 0.188 0.000 2.073 124 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 124 R C 2.572 179.001 176.300 0.215 0.000 1.134 124 R CA 1.361 57.580 56.100 0.198 0.000 0.952 124 R CB -0.301 30.033 30.300 0.056 0.000 0.850 124 R HN 0.132 nan 8.270 nan 0.000 0.433 125 R N 0.834 121.444 120.500 0.184 0.000 2.096 125 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 125 R C 1.883 178.174 176.300 -0.014 0.000 1.127 125 R CA 1.398 57.589 56.100 0.152 0.000 0.968 125 R CB -0.848 29.638 30.300 0.310 0.000 0.861 125 R HN 0.167 nan 8.270 nan 0.000 0.440 126 F N -0.107 119.712 119.950 -0.220 0.000 2.051 126 F HA -0.125 4.402 4.527 0.000 0.000 0.296 126 F C 1.798 177.535 175.800 -0.106 0.000 1.122 126 F CA 1.442 59.157 58.000 -0.475 0.000 1.201 126 F CB -0.931 37.992 39.000 -0.130 0.000 0.978 126 F HN 0.063 nan 8.300 nan 0.000 0.472 127 F N 0.731 120.575 119.950 -0.177 0.000 2.269 127 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 127 F C 2.600 178.276 175.800 -0.206 0.000 1.082 127 F CA 1.541 59.362 58.000 -0.298 0.000 1.360 127 F CB -0.844 38.180 39.000 0.040 0.000 1.041 127 F HN -0.043 nan 8.300 nan 0.000 0.512 128 S N -0.676 115.017 115.700 -0.011 0.000 2.406 128 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 128 S C 1.915 176.429 174.600 -0.145 0.000 1.020 128 S CA 0.779 58.954 58.200 -0.042 0.000 0.965 128 S CB -0.118 63.097 63.200 0.024 0.000 0.798 128 S HN 0.349 nan 8.310 nan 0.000 0.488 129 E N 1.619 121.682 120.200 -0.229 0.000 2.051 129 E HA -0.015 4.335 4.350 -0.000 0.000 0.189 129 E C 2.036 178.458 176.600 -0.297 0.000 0.979 129 E CA 0.851 57.112 56.400 -0.232 0.000 0.803 129 E CB -0.305 29.242 29.700 -0.255 0.000 0.761 129 E HN 0.707 nan 8.360 nan 0.000 0.451 130 I N -0.917 119.351 120.570 -0.503 0.000 3.564 130 I HA 0.006 4.176 4.170 -0.000 0.000 0.294 130 I C 2.266 178.089 176.117 -0.490 0.000 1.289 130 I CA 0.449 61.444 61.300 -0.509 0.000 1.325 130 I CB -0.158 37.408 38.000 -0.723 0.000 1.039 130 I HN -0.041 nan 8.210 nan 0.000 0.474 131 Q N 1.789 121.317 119.800 -0.454 0.000 2.152 131 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 131 Q C 2.175 178.061 176.000 -0.190 0.000 0.985 131 Q CA 2.612 58.211 55.803 -0.339 0.000 0.863 131 Q CB -0.041 28.602 28.738 -0.158 0.000 0.904 131 Q HN 0.573 nan 8.270 nan 0.000 0.422 132 V N 0.639 120.459 119.914 -0.157 0.000 2.439 132 V HA -0.286 3.834 4.120 -0.000 0.000 0.253 132 V C 2.050 178.084 176.094 -0.100 0.000 1.074 132 V CA 1.845 64.086 62.300 -0.099 0.000 1.076 132 V CB -0.432 31.339 31.823 -0.086 0.000 0.664 132 V HN 0.444 nan 8.190 nan 0.000 0.461 133 I N -0.917 119.562 120.570 -0.152 0.000 3.708 133 I HA 0.172 4.342 4.170 -0.000 0.000 0.302 133 I C 1.146 177.160 176.117 -0.172 0.000 1.255 133 I CA 0.100 61.317 61.300 -0.139 0.000 1.362 133 I CB 0.370 38.290 38.000 -0.133 0.000 1.100 133 I HN 0.295 nan 8.210 nan 0.000 0.434 134 I N -0.724 119.686 120.570 -0.267 0.000 3.432 134 I HA 0.757 4.927 4.170 -0.000 0.000 0.291 134 I C 0.324 176.293 176.117 -0.246 0.000 1.127 134 I CA -0.374 60.729 61.300 -0.328 0.000 0.962 134 I CB 0.606 38.258 38.000 -0.581 0.000 1.550 134 I HN 0.035 nan 8.210 nan 0.000 0.736 135 G N 0.958 109.583 108.800 -0.292 0.000 2.368 135 G HA2 0.192 4.152 3.960 -0.000 0.000 0.303 135 G HA3 0.192 4.152 3.960 -0.000 0.000 0.303 135 G C -2.633 172.196 174.900 -0.119 0.000 1.590 135 G CA -0.327 44.682 45.100 -0.152 0.000 0.938 135 G HN 0.470 nan 8.290 nan 0.000 0.675 136 P HA -0.102 nan 4.420 nan 0.000 0.221 136 P C 0.423 177.658 177.300 -0.108 0.000 1.145 136 P CA 1.365 64.424 63.100 -0.069 0.000 0.795 136 P CB 0.066 31.668 31.700 -0.162 0.000 0.775 137 Y N -1.878 118.558 120.300 0.227 0.000 2.612 137 Y HA 0.254 4.804 4.550 -0.000 0.000 0.250 137 Y C 1.767 177.721 175.900 0.090 0.000 1.175 137 Y CA -0.509 57.723 58.100 0.219 0.000 1.205 137 Y CB 0.262 38.846 38.460 0.206 0.000 1.201 137 Y HN -0.083 nan 8.280 nan 0.000 0.532 138 N N -0.672 118.091 118.700 0.104 0.000 2.909 138 N HA 0.043 4.783 4.740 -0.000 0.000 0.243 138 N C -0.777 174.686 175.510 -0.078 0.000 1.018 138 N CA 0.643 53.704 53.050 0.018 0.000 1.068 138 N CB 0.683 39.170 38.487 -0.000 0.000 1.651 138 N HN 0.002 nan 8.380 nan 0.000 0.509 139 D N 0.195 120.506 120.400 -0.148 0.000 2.890 139 D HA 0.378 5.018 4.640 -0.000 0.000 0.233 139 D C -1.336 174.801 176.300 -0.272 0.000 1.306 139 D CA -0.283 53.588 54.000 -0.215 0.000 0.929 139 D CB 1.410 42.087 40.800 -0.205 0.000 1.512 139 D HN 0.002 nan 8.370 nan 0.000 0.568 140 I N 4.880 125.250 120.570 -0.334 0.000 2.388 140 I HA 0.309 4.479 4.170 -0.000 0.000 0.281 140 I C -2.177 173.772 176.117 -0.281 0.000 1.046 140 I CA -1.846 59.254 61.300 -0.334 0.000 1.187 140 I CB 1.596 39.287 38.000 -0.515 0.000 1.351 140 I HN 0.035 nan 8.210 nan 0.000 0.472 141 P HA 0.388 nan 4.420 nan 0.000 0.275 141 P C -0.576 176.649 177.300 -0.124 0.000 1.270 141 P CA -0.232 62.792 63.100 -0.126 0.000 0.791 141 P CB 0.818 32.488 31.700 -0.050 0.000 1.089 142 A N -0.496 122.268 122.820 -0.094 0.000 2.586 142 A HA 0.664 4.984 4.320 -0.000 0.000 0.290 142 A C -2.904 174.651 177.584 -0.049 0.000 1.086 142 A CA -1.279 50.712 52.037 -0.077 0.000 0.665 142 A CB 0.601 19.538 19.000 -0.105 0.000 1.279 142 A HN 0.306 nan 8.150 nan 0.000 0.423 143 P HA 0.453 nan 4.420 nan 0.000 0.274 143 P C -0.944 176.324 177.300 -0.054 0.000 1.246 143 P CA 0.599 63.665 63.100 -0.057 0.000 0.795 143 P CB 1.386 33.045 31.700 -0.069 0.000 1.006 144 D N -0.617 119.747 120.400 -0.059 0.000 4.243 144 D HA 0.094 4.734 4.640 -0.000 0.000 0.333 144 D C -0.957 175.321 176.300 -0.036 0.000 1.611 144 D CA -0.292 53.684 54.000 -0.040 0.000 0.979 144 D CB 0.323 41.107 40.800 -0.028 0.000 1.457 144 D HN -0.015 nan 8.370 nan 0.000 0.646 145 V N 2.852 122.752 119.914 -0.023 0.000 2.485 145 V HA 0.179 4.299 4.120 -0.000 0.000 0.287 145 V C 0.225 176.337 176.094 0.030 0.000 1.022 145 V CA 0.398 62.694 62.300 -0.006 0.000 1.067 145 V CB -0.021 31.780 31.823 -0.036 0.000 0.967 145 V HN 0.613 nan 8.190 nan 0.000 0.479 146 N N 1.973 120.701 118.700 0.047 0.000 2.800 146 N HA -0.151 4.589 4.740 -0.000 0.000 0.250 146 N C 0.265 175.809 175.510 0.057 0.000 1.078 146 N CA 1.512 54.620 53.050 0.096 0.000 0.804 146 N CB -1.327 37.282 38.487 0.203 0.000 1.135 146 N HN 0.999 nan 8.380 nan 0.000 0.565 147 T N -1.817 112.703 114.554 -0.058 0.000 2.886 147 T HA 0.701 5.051 4.350 -0.000 0.000 0.292 147 T C -0.058 174.571 174.700 -0.118 0.000 1.012 147 T CA -0.943 61.065 62.100 -0.154 0.000 0.982 147 T CB 2.865 71.550 68.868 -0.303 0.000 1.018 147 T HN 0.263 nan 8.240 nan 0.000 0.451 148 N N 1.274 119.885 118.700 -0.149 0.000 3.038 148 N HA 0.609 5.349 4.740 -0.000 0.000 0.307 148 N C 1.435 176.823 175.510 -0.203 0.000 1.441 148 N CA -0.588 52.375 53.050 -0.145 0.000 0.772 148 N CB 0.569 38.983 38.487 -0.123 0.000 1.651 148 N HN 0.636 nan 8.380 nan 0.000 0.593 149 A N -0.043 122.670 122.820 -0.178 0.000 1.927 149 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 149 A C 1.262 178.657 177.584 -0.316 0.000 1.185 149 A CA 2.393 54.312 52.037 -0.197 0.000 0.639 149 A CB -1.259 17.652 19.000 -0.149 0.000 0.820 149 A HN 0.777 nan 8.150 nan 0.000 0.451 150 D N -0.597 119.563 120.400 -0.401 0.000 2.097 150 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 150 D C 1.942 177.568 176.300 -1.124 0.000 0.989 150 D CA 1.459 55.053 54.000 -0.677 0.000 0.827 150 D CB -0.342 40.089 40.800 -0.614 0.000 0.966 150 D HN 0.237 nan 8.370 nan 0.000 0.456 151 V N 1.052 120.439 119.914 -0.879 0.000 2.358 151 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 151 V C 2.314 177.981 176.094 -0.711 0.000 1.047 151 V CA 0.942 62.766 62.300 -0.793 0.000 1.035 151 V CB -0.331 31.253 31.823 -0.397 0.000 0.658 151 V HN 0.231 nan 8.190 nan 0.000 0.452 152 I N 0.759 121.060 120.570 -0.448 0.000 2.286 152 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 152 I C 2.695 178.681 176.117 -0.217 0.000 1.115 152 I CA 1.919 63.094 61.300 -0.208 0.000 1.392 152 I CB -1.540 36.394 38.000 -0.111 0.000 1.065 152 I HN 0.323 nan 8.210 nan 0.000 0.418 153 A N 0.387 123.018 122.820 -0.315 0.000 1.902 153 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 153 A C 2.093 179.609 177.584 -0.113 0.000 1.181 153 A CA 1.262 53.164 52.037 -0.224 0.000 0.623 153 A CB -0.876 17.946 19.000 -0.296 0.000 0.818 153 A HN 0.453 nan 8.150 nan 0.000 0.443 154 W N -0.812 120.380 121.300 -0.180 0.000 2.338 154 W HA -0.158 4.502 4.660 -0.000 0.000 0.304 154 W C 2.235 178.677 176.519 -0.128 0.000 1.212 154 W CA 0.757 58.006 57.345 -0.161 0.000 1.264 154 W CB -1.548 27.777 29.460 -0.225 0.000 1.142 154 W HN 0.573 nan 8.180 nan 0.000 0.512 155 Y N -0.393 119.861 120.300 -0.077 0.000 2.070 155 Y HA -0.369 4.181 4.550 -0.000 0.000 0.280 155 Y C 2.894 178.660 175.900 -0.224 0.000 1.148 155 Y CA 1.339 59.115 58.100 -0.539 0.000 1.125 155 Y CB -0.910 36.831 38.460 -1.199 0.000 0.975 155 Y HN -0.231 nan 8.280 nan 0.000 0.492 156 M N 0.776 120.404 119.600 0.047 0.000 2.082 156 M HA -0.291 4.189 4.480 -0.000 0.000 0.258 156 M C 1.531 177.946 176.300 0.191 0.000 1.069 156 M CA 2.300 57.682 55.300 0.137 0.000 1.102 156 M CB -0.813 31.832 32.600 0.075 0.000 1.336 156 M HN 0.279 nan 8.290 nan 0.000 0.404 157 D N -0.639 119.853 120.400 0.154 0.000 2.097 157 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 157 D C 1.604 178.005 176.300 0.168 0.000 0.989 157 D CA 2.196 56.285 54.000 0.149 0.000 0.827 157 D CB -0.012 40.879 40.800 0.152 0.000 0.966 157 D HN 0.399 nan 8.370 nan 0.000 0.456 158 T N -0.970 113.717 114.554 0.221 0.000 2.746 158 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 158 T C 1.636 176.497 174.700 0.269 0.000 1.039 158 T CA 1.274 63.516 62.100 0.237 0.000 1.142 158 T CB -0.661 68.394 68.868 0.312 0.000 0.866 158 T HN 0.315 nan 8.240 nan 0.000 0.444 159 Y N 1.747 122.188 120.300 0.235 0.000 2.133 159 Y HA -0.193 4.357 4.550 0.000 0.000 0.287 159 Y C 2.807 178.732 175.900 0.041 0.000 1.134 159 Y CA 1.479 59.678 58.100 0.164 0.000 1.133 159 Y CB -0.238 38.373 38.460 0.251 0.000 0.987 159 Y HN 0.108 nan 8.280 nan 0.000 0.502 160 S N 0.275 116.023 115.700 0.079 0.000 2.365 160 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 160 S C 1.867 176.394 174.600 -0.122 0.000 1.039 160 S CA 1.714 59.872 58.200 -0.070 0.000 1.033 160 S CB -0.351 62.878 63.200 0.049 0.000 0.887 160 S HN 0.431 nan 8.310 nan 0.000 0.447 161 M N 1.387 120.968 119.600 -0.032 0.000 2.229 161 M HA 0.002 4.482 4.480 -0.000 0.000 0.264 161 M C 1.585 177.843 176.300 -0.070 0.000 1.063 161 M CA 1.124 56.406 55.300 -0.031 0.000 1.114 161 M CB -1.630 30.979 32.600 0.015 0.000 1.387 161 M HN 0.221 nan 8.290 nan 0.000 0.420 162 N N 0.111 118.754 118.700 -0.096 0.000 2.135 162 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 162 N C 1.793 177.180 175.510 -0.205 0.000 1.027 162 N CA 1.062 54.041 53.050 -0.118 0.000 0.849 162 N CB -0.346 38.087 38.487 -0.090 0.000 1.002 162 N HN 0.088 nan 8.380 nan 0.000 0.425 163 V N -0.813 118.870 119.914 -0.384 0.000 2.427 163 V HA 0.029 4.149 4.120 -0.000 0.000 0.248 163 V C 1.443 177.348 176.094 -0.314 0.000 1.051 163 V CA 1.625 63.652 62.300 -0.455 0.000 1.048 163 V CB -0.897 30.437 31.823 -0.814 0.000 0.666 163 V HN 0.566 nan 8.190 nan 0.000 0.456 164 G N 0.316 108.947 108.800 -0.281 0.000 2.155 164 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.135 164 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.135 164 G C 0.087 174.997 174.900 0.015 0.000 1.023 164 G CA -0.052 44.991 45.100 -0.095 0.000 0.688 164 G HN 1.127 nan 8.290 nan 0.000 0.499 165 H N -2.940 116.108 119.070 -0.037 0.000 2.961 165 H HA 0.452 5.008 4.556 -0.000 0.000 0.278 165 H C -0.658 174.676 175.328 0.010 0.000 1.338 165 H CA -0.187 55.857 56.048 -0.007 0.000 1.373 165 H CB 0.582 30.345 29.762 0.001 0.000 1.915 165 H HN 0.482 nan 8.280 nan 0.000 0.500 166 T N 1.357 116.019 114.554 0.179 0.000 2.829 166 T HA 0.222 4.572 4.350 -0.000 0.000 0.293 166 T C 0.726 175.548 174.700 0.203 0.000 0.970 166 T CA 0.353 62.537 62.100 0.141 0.000 1.168 166 T CB -0.041 68.899 68.868 0.119 0.000 0.911 166 T HN 0.423 nan 8.240 nan 0.000 0.535 167 V N 5.861 125.878 119.914 0.171 0.000 2.735 167 V HA 0.090 4.210 4.120 -0.000 0.000 0.234 167 V C 1.808 178.005 176.094 0.172 0.000 1.121 167 V CA 0.892 63.322 62.300 0.216 0.000 1.160 167 V CB -0.590 31.422 31.823 0.314 0.000 0.908 167 V HN 1.064 nan 8.190 nan 0.000 0.495 168 L N 0.271 121.595 121.223 0.169 0.000 4.914 168 L HA -0.220 4.120 4.340 -0.000 0.000 0.443 168 L C 0.916 177.855 176.870 0.116 0.000 1.095 168 L CA 1.823 56.742 54.840 0.133 0.000 0.975 168 L CB -2.651 39.484 42.059 0.126 0.000 1.914 168 L HN 0.312 nan 8.230 nan 0.000 0.837 169 G N -1.343 107.531 108.800 0.123 0.000 3.377 169 G HA2 0.330 4.290 3.960 -0.000 0.000 0.257 169 G HA3 0.330 4.290 3.960 -0.000 0.000 0.257 169 G C 0.994 176.004 174.900 0.182 0.000 1.038 169 G CA 0.402 45.591 45.100 0.149 0.000 0.809 169 G HN 0.385 nan 8.290 nan 0.000 0.526 170 I N 1.337 121.965 120.570 0.096 0.000 2.761 170 I HA 0.182 4.352 4.170 -0.000 0.000 0.261 170 I C 0.501 176.607 176.117 -0.018 0.000 1.198 170 I CA 0.520 61.792 61.300 -0.046 0.000 1.482 170 I CB 0.410 38.297 38.000 -0.188 0.000 1.100 170 I HN 0.012 nan 8.210 nan 0.000 0.445 171 V N -2.573 117.356 119.914 0.026 0.000 3.120 171 V HA 0.700 4.820 4.120 -0.000 0.000 0.303 171 V C -0.243 175.852 176.094 0.002 0.000 1.238 171 V CA -0.096 62.195 62.300 -0.015 0.000 1.008 171 V CB 0.902 32.703 31.823 -0.038 0.000 1.064 171 V HN 0.201 nan 8.190 nan 0.000 0.434 172 T N -1.735 112.799 114.554 -0.033 0.000 2.938 172 T HA 0.780 5.130 4.350 -0.000 0.000 0.285 172 T C 0.962 175.644 174.700 -0.030 0.000 1.028 172 T CA -0.115 61.976 62.100 -0.015 0.000 1.005 172 T CB 1.154 70.004 68.868 -0.031 0.000 1.157 172 T HN 2.759 nan 8.240 nan 0.000 0.550 173 G N 0.723 109.508 108.800 -0.024 0.000 2.160 173 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 173 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 173 G C -0.133 174.734 174.900 -0.055 0.000 1.022 173 G CA 0.251 45.327 45.100 -0.040 0.000 0.741 173 G HN 0.880 nan 8.290 nan 0.000 0.508 174 K N 0.136 120.511 120.400 -0.041 0.000 2.090 174 K HA 0.469 4.789 4.320 -0.000 0.000 0.250 174 K C -2.330 174.231 176.600 -0.065 0.000 1.004 174 K CA -1.968 54.284 56.287 -0.059 0.000 0.919 174 K CB 0.698 33.181 32.500 -0.028 0.000 1.045 174 K HN -0.007 nan 8.250 nan 0.000 0.471 175 P HA -0.086 nan 4.420 nan 0.000 0.266 175 P C 0.751 178.001 177.300 -0.083 0.000 1.195 175 P CA -0.058 62.989 63.100 -0.088 0.000 0.768 175 P CB 0.536 32.174 31.700 -0.102 0.000 0.838 176 V N 2.078 121.942 119.914 -0.083 0.000 2.250 176 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 176 V C 1.590 177.583 176.094 -0.168 0.000 1.060 176 V CA 2.074 64.312 62.300 -0.104 0.000 1.030 176 V CB -1.055 30.714 31.823 -0.090 0.000 0.643 176 V HN 0.603 nan 8.190 nan 0.000 0.445 177 E N -0.226 119.886 120.200 -0.147 0.000 2.528 177 E HA 0.127 4.477 4.350 -0.000 0.000 0.237 177 E C 0.154 176.665 176.600 -0.148 0.000 1.408 177 E CA 0.170 56.470 56.400 -0.168 0.000 1.571 177 E CB -0.223 29.405 29.700 -0.121 0.000 1.395 177 E HN 0.382 nan 8.360 nan 0.000 0.438 178 L N -1.199 119.933 121.223 -0.152 0.000 3.859 178 L HA 0.312 4.652 4.340 -0.000 0.000 0.385 178 L C 0.714 177.559 176.870 -0.041 0.000 1.296 178 L CA 0.901 55.687 54.840 -0.090 0.000 1.178 178 L CB 0.494 42.514 42.059 -0.066 0.000 1.409 178 L HN 0.224 nan 8.230 nan 0.000 0.600 179 G N -1.318 107.440 108.800 -0.070 0.000 2.211 179 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.201 179 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.201 179 G C 0.721 175.746 174.900 0.208 0.000 0.997 179 G CA 0.066 45.271 45.100 0.174 0.000 0.652 179 G HN 0.850 nan 8.290 nan 0.000 0.500 180 G N -0.050 108.777 108.800 0.045 0.000 2.683 180 G HA2 0.531 4.491 3.960 -0.000 0.000 0.260 180 G HA3 0.531 4.491 3.960 -0.000 0.000 0.260 180 G C 0.094 175.040 174.900 0.076 0.000 1.238 180 G CA 0.836 45.960 45.100 0.040 0.000 0.934 180 G HN 0.941 nan 8.290 nan 0.000 0.534 181 S N -0.816 114.912 115.700 0.046 0.000 2.566 181 S HA 0.430 4.900 4.470 -0.000 0.000 0.298 181 S C -0.244 174.375 174.600 0.032 0.000 1.083 181 S CA -0.778 57.453 58.200 0.052 0.000 0.978 181 S CB 1.942 65.168 63.200 0.043 0.000 1.073 181 S HN 0.539 nan 8.310 nan 0.000 0.491 182 K N 0.555 120.980 120.400 0.041 0.000 2.202 182 K HA 0.482 4.802 4.320 -0.000 0.000 0.264 182 K C 1.121 177.741 176.600 0.033 0.000 1.010 182 K CA 0.317 56.619 56.287 0.024 0.000 0.940 182 K CB 0.394 32.912 32.500 0.030 0.000 0.983 182 K HN 0.963 nan 8.250 nan 0.000 0.475 183 G N 1.276 110.070 108.800 -0.009 0.000 2.176 183 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.253 183 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.253 183 G C 0.984 175.846 174.900 -0.063 0.000 0.979 183 G CA 0.625 45.705 45.100 -0.034 0.000 0.641 183 G HN 0.729 nan 8.290 nan 0.000 0.530 184 R N 0.711 121.185 120.500 -0.043 0.000 2.094 184 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 184 R C 2.287 178.523 176.300 -0.107 0.000 1.137 184 R CA 2.299 58.371 56.100 -0.047 0.000 0.943 184 R CB -0.394 29.887 30.300 -0.031 0.000 0.850 184 R HN 0.662 nan 8.270 nan 0.000 0.433 185 E N 0.136 120.239 120.200 -0.160 0.000 2.017 185 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 185 E C 1.898 178.140 176.600 -0.597 0.000 0.997 185 E CA 1.850 58.108 56.400 -0.236 0.000 0.804 185 E CB -0.140 29.470 29.700 -0.151 0.000 0.757 185 E HN 0.651 nan 8.360 nan 0.000 0.448 186 E N 1.170 120.813 120.200 -0.929 0.000 2.347 186 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 186 E C 1.946 178.321 176.600 -0.375 0.000 1.008 186 E CA 0.679 56.439 56.400 -1.068 0.000 0.852 186 E CB -0.148 29.071 29.700 -0.802 0.000 0.783 186 E HN 0.191 nan 8.360 nan 0.000 0.505 187 A N 1.975 124.666 122.820 -0.215 0.000 1.883 187 A HA -0.351 3.969 4.320 -0.000 0.000 0.222 187 A C 2.496 180.062 177.584 -0.030 0.000 1.339 187 A CA 2.997 54.994 52.037 -0.067 0.000 0.692 187 A CB -1.706 17.276 19.000 -0.030 0.000 0.845 187 A HN 0.414 nan 8.150 nan 0.000 0.467 188 T N -0.434 114.106 114.554 -0.022 0.000 2.665 188 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 188 T C 1.954 176.679 174.700 0.042 0.000 1.035 188 T CA 1.910 64.021 62.100 0.018 0.000 1.151 188 T CB -0.959 67.929 68.868 0.033 0.000 0.862 188 T HN 0.721 nan 8.240 nan 0.000 0.438 189 G N 1.047 109.884 108.800 0.062 0.000 2.418 189 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 189 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 189 G C 1.564 176.510 174.900 0.075 0.000 1.158 189 G CA 0.895 46.062 45.100 0.112 0.000 0.771 189 G HN 0.460 nan 8.290 nan 0.000 0.545 190 R N 0.304 120.825 120.500 0.035 0.000 2.096 190 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 190 R C 2.721 179.050 176.300 0.049 0.000 1.127 190 R CA 1.658 57.780 56.100 0.037 0.000 0.968 190 R CB -0.718 29.593 30.300 0.019 0.000 0.861 190 R HN 0.308 nan 8.270 nan 0.000 0.440 191 G N 0.083 108.914 108.800 0.051 0.000 2.459 191 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 191 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 191 G C 1.395 176.334 174.900 0.065 0.000 1.183 191 G CA 1.033 46.169 45.100 0.061 0.000 0.776 191 G HN 0.237 nan 8.290 nan 0.000 0.552 192 V N 1.373 121.326 119.914 0.064 0.000 2.392 192 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 192 V C 2.756 178.888 176.094 0.064 0.000 1.059 192 V CA 2.175 64.516 62.300 0.069 0.000 1.051 192 V CB -0.393 31.473 31.823 0.070 0.000 0.658 192 V HN 0.405 nan 8.190 nan 0.000 0.455 193 K N 0.462 120.897 120.400 0.058 0.000 2.026 193 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 193 K C 2.102 178.716 176.600 0.023 0.000 1.048 193 K CA 1.867 58.182 56.287 0.046 0.000 0.929 193 K CB -0.374 32.156 32.500 0.050 0.000 0.713 193 K HN 0.375 nan 8.250 nan 0.000 0.439 194 V N 1.436 121.362 119.914 0.020 0.000 2.261 194 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 194 V C 2.783 178.842 176.094 -0.058 0.000 1.047 194 V CA 1.945 64.236 62.300 -0.016 0.000 1.015 194 V CB -0.751 31.076 31.823 0.007 0.000 0.642 194 V HN 0.430 nan 8.190 nan 0.000 0.446 195 C N 0.340 119.650 119.300 0.018 0.000 2.413 195 C HA -0.130 4.330 4.460 -0.000 0.000 0.276 195 C C 3.132 178.145 174.990 0.037 0.000 1.248 195 C CA 0.826 59.891 59.018 0.079 0.000 1.742 195 C CB -1.448 26.421 27.740 0.215 0.000 2.017 195 C HN 0.650 nan 8.230 nan 0.000 0.481 196 A N 0.751 123.594 122.820 0.039 0.000 1.908 196 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 196 A C 2.391 179.970 177.584 -0.009 0.000 1.181 196 A CA 2.214 54.272 52.037 0.036 0.000 0.627 196 A CB -1.274 17.752 19.000 0.043 0.000 0.818 196 A HN 0.557 nan 8.150 nan 0.000 0.445 197 G N -0.095 108.678 108.800 -0.045 0.000 2.433 197 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 197 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 197 G C 1.548 176.368 174.900 -0.133 0.000 1.186 197 G CA 1.052 46.110 45.100 -0.070 0.000 0.779 197 G HN 0.433 nan 8.290 nan 0.000 0.543 198 L N 0.795 121.850 121.223 -0.281 0.000 2.079 198 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 198 L C 3.415 180.119 176.870 -0.276 0.000 1.081 198 L CA 0.987 55.532 54.840 -0.491 0.000 0.752 198 L CB -0.465 40.831 42.059 -1.272 0.000 0.896 198 L HN 0.326 nan 8.230 nan 0.000 0.433 199 A N -0.056 122.709 122.820 -0.091 0.000 1.902 199 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 199 A C 2.324 179.940 177.584 0.053 0.000 1.181 199 A CA 1.730 53.837 52.037 0.117 0.000 0.623 199 A CB -0.458 18.632 19.000 0.150 0.000 0.818 199 A HN 0.333 nan 8.150 nan 0.000 0.443 200 M N -0.519 119.087 119.600 0.010 0.000 2.159 200 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 200 M C 1.604 177.906 176.300 0.002 0.000 1.063 200 M CA 1.667 56.973 55.300 0.009 0.000 1.110 200 M CB -0.632 31.968 32.600 0.000 0.000 1.374 200 M HN 0.431 nan 8.290 nan 0.000 0.411 201 D N 0.241 120.627 120.400 -0.023 0.000 2.097 201 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 201 D C 1.983 178.290 176.300 0.011 0.000 0.989 201 D CA 2.018 56.006 54.000 -0.020 0.000 0.827 201 D CB -0.160 40.605 40.800 -0.057 0.000 0.966 201 D HN 0.381 nan 8.370 nan 0.000 0.456 202 V N -0.542 119.396 119.914 0.039 0.000 2.626 202 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 202 V C 2.127 178.255 176.094 0.056 0.000 1.067 202 V CA 1.117 63.461 62.300 0.072 0.000 1.081 202 V CB -0.735 31.173 31.823 0.141 0.000 0.686 202 V HN 0.083 nan 8.190 nan 0.000 0.468 203 L N 1.154 122.406 121.223 0.048 0.000 2.592 203 L HA 0.478 4.818 4.340 -0.000 0.000 0.227 203 L C 1.922 178.807 176.870 0.025 0.000 1.127 203 L CA 0.657 55.519 54.840 0.038 0.000 0.884 203 L CB -0.396 41.687 42.059 0.040 0.000 1.065 203 L HN 0.594 nan 8.230 nan 0.000 0.457 204 G N 1.076 109.889 108.800 0.021 0.000 2.187 204 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.261 204 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.261 204 G C 0.292 175.199 174.900 0.011 0.000 1.000 204 G CA 0.077 45.185 45.100 0.014 0.000 0.718 204 G HN 0.341 nan 8.290 nan 0.000 0.519 205 I N 0.699 121.276 120.570 0.013 0.000 2.395 205 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 205 I C 0.362 176.483 176.117 0.007 0.000 1.023 205 I CA -0.554 60.753 61.300 0.012 0.000 1.350 205 I CB 1.052 39.061 38.000 0.016 0.000 1.409 205 I HN 0.105 nan 8.210 nan 0.000 0.507 206 D N 9.323 129.727 120.400 0.006 0.000 2.325 206 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 206 D C -1.286 175.018 176.300 0.006 0.000 1.196 206 D CA -1.858 52.144 54.000 0.004 0.000 0.866 206 D CB 1.180 41.982 40.800 0.004 0.000 1.101 206 D HN 0.233 nan 8.370 nan 0.000 0.476 207 P HA -0.268 nan 4.420 nan 0.000 0.216 207 P C 1.195 178.501 177.300 0.009 0.000 1.154 207 P CA 1.244 64.349 63.100 0.007 0.000 0.865 207 P CB 0.208 31.910 31.700 0.003 0.000 0.789 208 K N 0.498 120.902 120.400 0.007 0.000 2.152 208 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 208 K C 2.231 178.835 176.600 0.006 0.000 1.048 208 K CA 1.450 57.741 56.287 0.007 0.000 0.933 208 K CB -0.122 32.381 32.500 0.004 0.000 0.721 208 K HN 0.032 nan 8.250 nan 0.000 0.447 209 K N -0.134 120.270 120.400 0.007 0.000 2.354 209 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 209 K C -0.192 176.414 176.600 0.011 0.000 1.045 209 K CA 0.160 56.451 56.287 0.007 0.000 1.026 209 K CB 0.348 32.852 32.500 0.006 0.000 0.866 209 K HN 0.132 nan 8.250 nan 0.000 0.530 210 A N 1.871 124.700 122.820 0.014 0.000 2.546 210 A HA 0.073 4.393 4.320 -0.000 0.000 0.243 210 A C 0.058 177.657 177.584 0.025 0.000 1.063 210 A CA 0.395 52.444 52.037 0.020 0.000 0.757 210 A CB -0.086 18.927 19.000 0.021 0.000 0.991 210 A HN 0.421 nan 8.150 nan 0.000 0.503 211 T N 0.234 114.807 114.554 0.032 0.000 2.794 211 T HA 0.622 4.972 4.350 -0.000 0.000 0.280 211 T C -0.387 174.344 174.700 0.052 0.000 0.987 211 T CA -0.732 61.393 62.100 0.042 0.000 0.993 211 T CB 1.235 70.132 68.868 0.048 0.000 0.939 211 T HN 0.533 nan 8.240 nan 0.000 0.449 212 V N 1.678 121.631 119.914 0.064 0.000 2.735 212 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 212 V C -0.181 175.969 176.094 0.094 0.000 1.061 212 V CA -1.069 61.275 62.300 0.073 0.000 0.913 212 V CB 1.862 33.729 31.823 0.072 0.000 1.005 212 V HN 1.290 nan 8.190 nan 0.000 0.428 213 A N 3.842 126.715 122.820 0.088 0.000 2.335 213 A HA 0.846 5.166 4.320 -0.000 0.000 0.304 213 A C -1.089 176.548 177.584 0.087 0.000 1.118 213 A CA -0.499 51.597 52.037 0.098 0.000 0.757 213 A CB 1.544 20.592 19.000 0.079 0.000 1.188 213 A HN 0.679 nan 8.150 nan 0.000 0.460 214 V N 2.881 122.855 119.914 0.099 0.000 2.384 214 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 214 V C 0.145 176.293 176.094 0.090 0.000 1.020 214 V CA -0.522 61.840 62.300 0.103 0.000 0.850 214 V CB 1.473 33.383 31.823 0.145 0.000 0.987 214 V HN 0.938 nan 8.190 nan 0.000 0.436 215 Q N 3.165 123.012 119.800 0.079 0.000 2.296 215 Q HA 0.580 4.920 4.340 -0.000 0.000 0.257 215 Q C 0.169 176.222 176.000 0.088 0.000 0.942 215 Q CA 0.484 56.328 55.803 0.067 0.000 0.939 215 Q CB 1.343 30.112 28.738 0.052 0.000 1.198 215 Q HN 1.205 nan 8.270 nan 0.000 0.429 216 G N 2.771 111.631 108.800 0.100 0.000 2.650 216 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 216 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 216 G C -1.182 173.873 174.900 0.258 0.000 1.205 216 G CA -0.669 44.509 45.100 0.130 0.000 0.781 216 G HN 0.543 nan 8.290 nan 0.000 0.648 217 F N 2.407 122.343 119.950 -0.022 0.000 2.733 217 F HA 0.522 5.050 4.527 0.000 0.000 0.380 217 F C 1.210 176.980 175.800 -0.050 0.000 1.324 217 F CA 0.114 58.086 58.000 -0.047 0.000 1.178 217 F CB 0.326 39.287 39.000 -0.065 0.000 1.093 217 F HN 0.874 nan 8.300 nan 0.000 0.512 218 G N 0.437 109.223 108.800 -0.023 0.000 2.546 218 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.239 218 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.239 218 G C 0.945 175.748 174.900 -0.162 0.000 1.476 218 G CA 0.152 45.209 45.100 -0.071 0.000 1.064 218 G HN 0.267 nan 8.290 nan 0.000 0.561 219 N N -1.505 117.152 118.700 -0.071 0.000 2.043 219 N HA -0.169 4.571 4.740 -0.000 0.000 0.193 219 N C 2.285 177.836 175.510 0.070 0.000 1.037 219 N CA 1.937 54.988 53.050 0.002 0.000 0.851 219 N CB -0.255 38.298 38.487 0.111 0.000 1.027 219 N HN 0.155 nan 8.380 nan 0.000 0.422 220 V N 0.082 120.033 119.914 0.061 0.000 2.261 220 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 220 V C 2.431 178.547 176.094 0.037 0.000 1.047 220 V CA 2.081 64.429 62.300 0.079 0.000 1.015 220 V CB -1.533 30.324 31.823 0.056 0.000 0.642 220 V HN 0.526 nan 8.190 nan 0.000 0.446 221 G N -0.991 107.803 108.800 -0.010 0.000 2.491 221 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 221 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 221 G C 1.512 176.324 174.900 -0.147 0.000 1.180 221 G CA 1.129 46.233 45.100 0.005 0.000 0.774 221 G HN 0.565 nan 8.290 nan 0.000 0.562 222 Q N -0.481 118.991 119.800 -0.547 0.000 1.993 222 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 222 Q C 2.445 178.197 176.000 -0.413 0.000 0.984 222 Q CA 1.479 56.763 55.803 -0.866 0.000 0.837 222 Q CB -0.354 27.702 28.738 -1.137 0.000 0.902 222 Q HN 0.581 nan 8.270 nan 0.000 0.423 223 F N 0.543 120.395 119.950 -0.164 0.000 2.161 223 F HA -0.250 4.277 4.527 0.000 0.000 0.300 223 F C 2.422 178.206 175.800 -0.027 0.000 1.089 223 F CA 0.594 58.550 58.000 -0.074 0.000 1.282 223 F CB -0.278 38.689 39.000 -0.054 0.000 1.010 223 F HN 0.137 nan 8.300 nan 0.000 0.485 224 A N 0.349 123.261 122.820 0.153 0.000 1.835 224 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 224 A C 2.415 180.062 177.584 0.105 0.000 1.199 224 A CA 1.791 53.899 52.037 0.117 0.000 0.615 224 A CB -1.444 17.615 19.000 0.098 0.000 0.838 224 A HN 0.301 nan 8.150 nan 0.000 0.444 225 A N -0.515 122.368 122.820 0.105 0.000 1.927 225 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 225 A C 2.276 179.927 177.584 0.112 0.000 1.185 225 A CA 1.889 54.005 52.037 0.133 0.000 0.639 225 A CB -0.773 18.364 19.000 0.227 0.000 0.820 225 A HN 0.707 nan 8.150 nan 0.000 0.451 226 L N -0.614 120.662 121.223 0.088 0.000 1.994 226 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 226 L C 2.469 179.395 176.870 0.094 0.000 1.071 226 L CA 1.574 56.465 54.840 0.085 0.000 0.745 226 L CB -0.232 41.864 42.059 0.062 0.000 0.892 226 L HN 0.437 nan 8.230 nan 0.000 0.431 227 L N -0.564 120.724 121.223 0.110 0.000 2.083 227 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 227 L C 2.511 179.423 176.870 0.070 0.000 1.083 227 L CA 1.315 56.210 54.840 0.091 0.000 0.752 227 L CB -0.524 41.592 42.059 0.095 0.000 0.899 227 L HN 0.322 nan 8.230 nan 0.000 0.433 228 I N -0.896 119.718 120.570 0.073 0.000 2.127 228 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 228 I C 2.858 179.009 176.117 0.056 0.000 1.075 228 I CA 1.371 62.708 61.300 0.060 0.000 1.334 228 I CB -0.360 37.680 38.000 0.067 0.000 1.040 228 I HN 0.222 nan 8.210 nan 0.000 0.405 229 S N 0.245 115.985 115.700 0.066 0.000 2.363 229 S HA -0.278 4.192 4.470 -0.000 0.000 0.218 229 S C 2.030 176.660 174.600 0.051 0.000 1.035 229 S CA 1.837 60.074 58.200 0.061 0.000 1.043 229 S CB -0.255 62.990 63.200 0.075 0.000 0.986 229 S HN 0.408 nan 8.310 nan 0.000 0.423 230 Q N 0.155 119.987 119.800 0.055 0.000 2.002 230 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 230 Q C 2.349 178.372 176.000 0.038 0.000 0.988 230 Q CA 1.866 57.698 55.803 0.047 0.000 0.843 230 Q CB -0.243 28.527 28.738 0.053 0.000 0.908 230 Q HN 0.662 nan 8.270 nan 0.000 0.420 231 E N 0.102 120.325 120.200 0.039 0.000 2.112 231 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 231 E C 1.906 178.519 176.600 0.022 0.000 0.979 231 E CA 0.633 57.051 56.400 0.029 0.000 0.814 231 E CB 0.185 29.902 29.700 0.030 0.000 0.762 231 E HN 0.280 nan 8.360 nan 0.000 0.460 232 L N -0.899 120.339 121.223 0.025 0.000 2.463 232 L HA 0.205 4.545 4.340 -0.000 0.000 0.219 232 L C 1.630 178.511 176.870 0.019 0.000 1.088 232 L CA 0.468 55.319 54.840 0.018 0.000 0.849 232 L CB 0.202 42.272 42.059 0.019 0.000 1.012 232 L HN 0.320 nan 8.230 nan 0.000 0.468 233 G N -0.205 108.610 108.800 0.024 0.000 2.179 233 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 233 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 233 G C 0.388 175.302 174.900 0.022 0.000 0.977 233 G CA 0.379 45.492 45.100 0.022 0.000 0.641 233 G HN 0.318 nan 8.290 nan 0.000 0.533 234 S N 0.764 116.480 115.700 0.027 0.000 2.560 234 S HA 0.344 4.814 4.470 -0.000 0.000 0.284 234 S C 0.574 175.193 174.600 0.032 0.000 1.327 234 S CA 0.121 58.339 58.200 0.028 0.000 1.055 234 S CB 0.885 64.106 63.200 0.034 0.000 0.868 234 S HN 0.464 nan 8.310 nan 0.000 0.506 235 K N 2.078 122.493 120.400 0.024 0.000 2.292 235 K HA 0.201 4.521 4.320 -0.000 0.000 0.290 235 K C -0.858 175.762 176.600 0.033 0.000 1.083 235 K CA -0.291 56.005 56.287 0.015 0.000 0.918 235 K CB 0.381 32.875 32.500 -0.011 0.000 1.089 235 K HN 0.286 nan 8.250 nan 0.000 0.473 236 V N 5.106 125.054 119.914 0.057 0.000 2.381 236 V HA -0.055 4.065 4.120 -0.000 0.000 0.257 236 V C 1.391 177.541 176.094 0.094 0.000 1.057 236 V CA -0.043 62.318 62.300 0.103 0.000 1.013 236 V CB 0.280 32.190 31.823 0.145 0.000 1.069 236 V HN 0.690 nan 8.190 nan 0.000 0.484 237 V N 2.119 122.080 119.914 0.078 0.000 3.235 237 V HA 0.597 4.717 4.120 -0.000 0.000 0.259 237 V C 0.771 176.970 176.094 0.175 0.000 1.133 237 V CA 0.901 63.201 62.300 0.001 0.000 1.128 237 V CB -0.282 31.600 31.823 0.098 0.000 0.757 237 V HN 0.864 nan 8.190 nan 0.000 0.469 238 A N 0.082 123.086 122.820 0.307 0.000 2.577 238 A HA 0.775 5.095 4.320 -0.000 0.000 0.297 238 A C -0.884 176.797 177.584 0.162 0.000 1.060 238 A CA 0.073 52.321 52.037 0.352 0.000 0.697 238 A CB 1.767 20.985 19.000 0.362 0.000 1.281 238 A HN 1.393 nan 8.150 nan 0.000 0.402 239 V N -0.854 119.064 119.914 0.007 0.000 3.130 239 V HA 1.015 5.135 4.120 -0.000 0.000 0.310 239 V C -0.307 175.674 176.094 -0.188 0.000 1.158 239 V CA -0.281 61.922 62.300 -0.162 0.000 1.029 239 V CB 1.668 33.168 31.823 -0.538 0.000 1.057 239 V HN 1.878 nan 8.190 nan 0.000 0.436 240 S N 0.206 115.820 115.700 -0.142 0.000 2.540 240 S HA 0.609 5.079 4.470 -0.000 0.000 0.275 240 S C -1.051 173.522 174.600 -0.046 0.000 1.123 240 S CA -0.654 57.492 58.200 -0.089 0.000 0.907 240 S CB 1.998 65.189 63.200 -0.014 0.000 1.081 240 S HN 1.018 nan 8.310 nan 0.000 0.476 241 D N 0.665 121.040 120.400 -0.041 0.000 2.478 241 D HA 0.330 4.970 4.640 -0.000 0.000 0.263 241 D C 0.464 176.786 176.300 0.036 0.000 1.153 241 D CA -0.452 53.562 54.000 0.023 0.000 1.038 241 D CB 1.852 42.663 40.800 0.017 0.000 1.120 241 D HN 0.665 nan 8.370 nan 0.000 0.564 242 S N 0.478 116.208 115.700 0.050 0.000 3.033 242 S HA 0.135 4.604 4.470 -0.000 0.000 0.258 242 S C 0.940 175.563 174.600 0.037 0.000 1.207 242 S CA -0.115 58.112 58.200 0.044 0.000 1.248 242 S CB 0.131 63.359 63.200 0.046 0.000 0.932 242 S HN 0.512 nan 8.310 nan 0.000 0.472 243 R N -0.309 120.210 120.500 0.032 0.000 2.658 243 R HA 0.344 4.684 4.340 -0.000 0.000 0.223 243 R C 0.478 176.793 176.300 0.024 0.000 0.985 243 R CA 0.631 56.749 56.100 0.030 0.000 1.290 243 R CB 0.597 30.918 30.300 0.035 0.000 1.723 243 R HN 0.545 nan 8.270 nan 0.000 0.527 244 G N -0.654 108.156 108.800 0.016 0.000 2.324 244 G HA2 0.368 4.328 3.960 -0.000 0.000 0.293 244 G HA3 0.368 4.328 3.960 -0.000 0.000 0.293 244 G C -1.361 173.534 174.900 -0.008 0.000 1.297 244 G CA -0.393 44.714 45.100 0.011 0.000 0.853 244 G HN 0.286 nan 8.290 nan 0.000 0.535 245 G N -1.198 107.600 108.800 -0.004 0.000 2.730 245 G HA2 0.878 4.838 3.960 -0.000 0.000 0.289 245 G HA3 0.878 4.838 3.960 -0.000 0.000 0.289 245 G C -0.628 174.275 174.900 0.006 0.000 1.341 245 G CA -0.338 44.748 45.100 -0.023 0.000 0.932 245 G HN 1.484 nan 8.290 nan 0.000 0.481 246 I N -2.051 118.522 120.570 0.005 0.000 2.608 246 I HA 0.742 4.912 4.170 -0.000 0.000 0.295 246 I C -1.638 174.690 176.117 0.352 0.000 1.049 246 I CA -1.239 60.131 61.300 0.117 0.000 1.063 246 I CB 2.498 40.486 38.000 -0.020 0.000 1.248 246 I HN 0.459 nan 8.210 nan 0.000 0.424 247 Y N 4.735 125.178 120.300 0.238 0.000 2.499 247 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 247 Y C -1.301 174.616 175.900 0.029 0.000 0.987 247 Y CA -1.053 57.147 58.100 0.167 0.000 1.044 247 Y CB 1.933 40.428 38.460 0.058 0.000 1.245 247 Y HN 0.784 nan 8.280 nan 0.000 0.461 248 N N 6.726 124.753 118.700 -1.122 0.000 2.905 248 N HA 0.232 4.972 4.740 -0.000 0.000 0.255 248 N C -2.705 172.163 175.510 -1.070 0.000 1.199 248 N CA -1.607 50.766 53.050 -1.128 0.000 0.911 248 N CB 2.119 39.886 38.487 -1.200 0.000 1.550 248 N HN 0.393 nan 8.380 nan 0.000 0.599 249 P HA -0.095 nan 4.420 nan 0.000 0.222 249 P C 0.426 177.547 177.300 -0.299 0.000 1.147 249 P CA 1.136 63.973 63.100 -0.438 0.000 0.790 249 P CB 0.584 32.151 31.700 -0.222 0.000 0.780 250 E N -0.222 119.777 120.200 -0.335 0.000 2.347 250 E HA 0.157 4.507 4.350 -0.000 0.000 0.196 250 E C 0.846 177.306 176.600 -0.233 0.000 1.008 250 E CA 0.403 56.663 56.400 -0.234 0.000 0.852 250 E CB -0.316 29.259 29.700 -0.208 0.000 0.783 250 E HN 0.279 nan 8.360 nan 0.000 0.505 251 G N 0.540 109.123 108.800 -0.361 0.000 2.788 251 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 251 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 251 G C -0.753 173.972 174.900 -0.290 0.000 1.147 251 G CA -0.898 44.037 45.100 -0.275 0.000 0.755 251 G HN 0.104 nan 8.290 nan 0.000 0.634 252 F N 0.880 120.807 119.950 -0.039 0.000 2.399 252 F HA 0.432 4.959 4.527 0.000 0.000 0.328 252 F C 0.958 176.751 175.800 -0.012 0.000 1.084 252 F CA -0.549 57.432 58.000 -0.031 0.000 1.053 252 F CB 1.761 40.704 39.000 -0.095 0.000 1.209 252 F HN 0.468 nan 8.300 nan 0.000 0.502 253 D N 2.682 123.233 120.400 0.251 0.000 2.494 253 D HA 0.118 4.758 4.640 -0.000 0.000 0.217 253 D C 1.108 177.467 176.300 0.099 0.000 1.153 253 D CA -0.005 54.082 54.000 0.144 0.000 0.954 253 D CB 0.928 41.811 40.800 0.138 0.000 1.034 253 D HN 0.336 nan 8.370 nan 0.000 0.518 254 V N 3.907 123.880 119.914 0.100 0.000 2.357 254 V HA -0.320 3.800 4.120 -0.000 0.000 0.257 254 V C 2.294 178.429 176.094 0.068 0.000 1.082 254 V CA 1.827 64.181 62.300 0.090 0.000 1.078 254 V CB -0.499 31.394 31.823 0.115 0.000 0.663 254 V HN 0.586 nan 8.190 nan 0.000 0.455 255 E N -0.263 119.974 120.200 0.062 0.000 2.058 255 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 255 E C 2.314 178.952 176.600 0.062 0.000 0.997 255 E CA 1.616 58.048 56.400 0.053 0.000 0.801 255 E CB -0.213 29.522 29.700 0.058 0.000 0.746 255 E HN 0.713 nan 8.360 nan 0.000 0.450 256 E N 0.620 120.864 120.200 0.074 0.000 2.085 256 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 256 E C 2.274 178.902 176.600 0.047 0.000 0.994 256 E CA 0.700 57.166 56.400 0.110 0.000 0.801 256 E CB -0.077 29.733 29.700 0.182 0.000 0.743 256 E HN 0.234 nan 8.360 nan 0.000 0.453 257 L N 0.694 121.840 121.223 -0.128 0.000 2.017 257 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 257 L C 2.458 179.385 176.870 0.096 0.000 1.073 257 L CA 1.007 55.681 54.840 -0.276 0.000 0.745 257 L CB -0.343 41.459 42.059 -0.428 0.000 0.894 257 L HN 0.194 nan 8.230 nan 0.000 0.432 258 I N -0.735 119.930 120.570 0.158 0.000 2.142 258 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 258 I C 2.725 178.902 176.117 0.100 0.000 1.078 258 I CA 1.090 62.459 61.300 0.115 0.000 1.343 258 I CB -0.287 37.684 38.000 -0.049 0.000 1.046 258 I HN 0.185 nan 8.210 nan 0.000 0.405 259 R N 0.122 120.681 120.500 0.098 0.000 2.091 259 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 259 R C 2.163 178.565 176.300 0.170 0.000 1.136 259 R CA 1.475 57.639 56.100 0.107 0.000 0.959 259 R CB -1.128 29.238 30.300 0.110 0.000 0.856 259 R HN 0.407 nan 8.270 nan 0.000 0.437 260 Y N 1.214 121.578 120.300 0.105 0.000 2.145 260 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 260 Y C 2.214 178.248 175.900 0.223 0.000 1.145 260 Y CA 1.997 60.208 58.100 0.186 0.000 1.148 260 Y CB -0.072 38.425 38.460 0.062 0.000 0.981 260 Y HN -0.007 nan 8.280 nan 0.000 0.507 261 K N 0.370 120.944 120.400 0.289 0.000 2.147 261 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 261 K C 1.920 178.572 176.600 0.087 0.000 1.049 261 K CA 1.525 57.936 56.287 0.205 0.000 0.936 261 K CB -0.073 32.584 32.500 0.262 0.000 0.722 261 K HN 0.301 nan 8.250 nan 0.000 0.446 262 K N 0.212 120.646 120.400 0.057 0.000 2.155 262 K HA -0.143 4.177 4.320 -0.000 0.000 0.203 262 K C 1.852 178.417 176.600 -0.059 0.000 1.052 262 K CA 1.290 57.576 56.287 -0.003 0.000 0.948 262 K CB 0.093 32.590 32.500 -0.006 0.000 0.728 262 K HN 0.263 nan 8.250 nan 0.000 0.448 263 E N 0.059 120.199 120.200 -0.099 0.000 2.415 263 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 263 E C -0.662 175.570 176.600 -0.615 0.000 1.007 263 E CA 0.190 56.403 56.400 -0.312 0.000 0.890 263 E CB 0.434 29.937 29.700 -0.328 0.000 0.891 263 E HN 0.307 nan 8.360 nan 0.000 0.496 264 H N -1.864 117.050 119.070 -0.259 0.000 3.013 264 H HA 0.268 4.824 4.556 0.000 0.000 0.326 264 H C 0.731 175.992 175.328 -0.112 0.000 0.973 264 H CA -0.124 55.767 56.048 -0.261 0.000 1.369 264 H CB 1.696 31.113 29.762 -0.574 0.000 1.598 264 H HN 0.104 nan 8.280 nan 0.000 0.518 265 G N 2.795 111.615 108.800 0.033 0.000 2.785 265 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.225 265 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.225 265 G C 0.633 175.585 174.900 0.087 0.000 1.093 265 G CA 1.796 46.926 45.100 0.049 0.000 0.740 265 G HN 0.711 nan 8.290 nan 0.000 0.629 266 T N -4.110 110.520 114.554 0.125 0.000 2.901 266 T HA 0.474 4.824 4.350 -0.000 0.000 0.293 266 T C 0.916 175.748 174.700 0.219 0.000 1.084 266 T CA -0.045 62.136 62.100 0.134 0.000 1.008 266 T CB 1.934 70.862 68.868 0.100 0.000 1.170 266 T HN 0.554 nan 8.240 nan 0.000 0.509 267 V N -0.554 119.413 119.914 0.088 0.000 3.461 267 V HA 0.266 4.386 4.120 -0.000 0.000 0.267 267 V C 0.838 176.874 176.094 -0.096 0.000 1.186 267 V CA -0.077 62.191 62.300 -0.054 0.000 1.154 267 V CB -1.092 30.462 31.823 -0.448 0.000 0.802 267 V HN 0.702 nan 8.190 nan 0.000 0.474 268 V N 1.526 121.451 119.914 0.017 0.000 3.096 268 V HA 0.296 4.416 4.120 -0.000 0.000 0.306 268 V C 1.627 177.768 176.094 0.078 0.000 1.088 268 V CA 1.110 63.419 62.300 0.016 0.000 1.129 268 V CB 0.277 32.122 31.823 0.037 0.000 1.014 268 V HN 0.744 nan 8.190 nan 0.000 0.486 269 T N 0.827 115.402 114.554 0.034 0.000 7.880 269 T HA -0.287 4.063 4.350 -0.000 0.000 0.303 269 T C 0.102 174.776 174.700 -0.044 0.000 2.087 269 T CA 1.419 63.546 62.100 0.044 0.000 3.396 269 T CB -1.775 67.167 68.868 0.124 0.000 1.703 269 T HN 0.927 nan 8.240 nan 0.000 0.997 270 Y N 5.874 125.923 120.300 -0.418 0.000 2.805 270 Y HA 0.309 4.859 4.550 -0.000 0.000 0.331 270 Y C -1.672 174.005 175.900 -0.372 0.000 1.241 270 Y CA -1.654 55.937 58.100 -0.849 0.000 1.546 270 Y CB 0.465 38.236 38.460 -1.148 0.000 1.248 270 Y HN 0.146 nan 8.280 nan 0.000 0.559 271 P HA -0.046 nan 4.420 nan 0.000 0.268 271 P C -0.746 176.220 177.300 -0.557 0.000 1.208 271 P CA 0.033 62.817 63.100 -0.527 0.000 0.777 271 P CB 0.687 32.132 31.700 -0.425 0.000 0.875 272 K N -0.355 119.906 120.400 -0.230 0.000 3.117 272 K HA -0.137 4.183 4.320 -0.000 0.000 0.269 272 K C -0.392 176.266 176.600 0.097 0.000 1.098 272 K CA 0.786 57.017 56.287 -0.093 0.000 0.785 272 K CB -1.795 30.645 32.500 -0.100 0.000 1.242 272 K HN 0.930 nan 8.250 nan 0.000 0.491 273 G N 1.361 110.228 108.800 0.111 0.000 2.704 273 G HA2 0.250 4.210 3.960 -0.000 0.000 0.280 273 G HA3 0.250 4.210 3.960 -0.000 0.000 0.280 273 G C -1.261 173.727 174.900 0.147 0.000 1.499 273 G CA -0.567 44.706 45.100 0.289 0.000 1.146 273 G HN 0.259 nan 8.290 nan 0.000 0.558 274 E N 2.448 122.725 120.200 0.127 0.000 2.265 274 E HA 0.114 4.464 4.350 -0.000 0.000 0.272 274 E C 0.373 177.060 176.600 0.145 0.000 1.067 274 E CA -0.311 56.160 56.400 0.118 0.000 0.900 274 E CB 0.499 30.286 29.700 0.144 0.000 1.017 274 E HN 0.371 nan 8.360 nan 0.000 0.431 275 R N 4.682 125.236 120.500 0.091 0.000 2.484 275 R HA 0.204 4.544 4.340 -0.000 0.000 0.293 275 R C 0.184 176.526 176.300 0.069 0.000 1.023 275 R CA 0.297 56.440 56.100 0.072 0.000 1.037 275 R CB -0.042 30.284 30.300 0.043 0.000 0.951 275 R HN 0.493 nan 8.270 nan 0.000 0.418 276 I N -2.177 118.432 120.570 0.065 0.000 2.769 276 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 276 I C -0.023 176.110 176.117 0.025 0.000 1.128 276 I CA -1.038 60.286 61.300 0.040 0.000 1.031 276 I CB 2.257 40.277 38.000 0.033 0.000 1.235 276 I HN 0.316 nan 8.210 nan 0.000 0.423 277 T N 1.991 116.553 114.554 0.014 0.000 2.813 277 T HA 0.190 4.540 4.350 -0.000 0.000 0.297 277 T C 0.967 175.674 174.700 0.012 0.000 1.036 277 T CA 0.293 62.402 62.100 0.014 0.000 1.044 277 T CB 0.592 69.469 68.868 0.014 0.000 0.993 277 T HN 0.816 nan 8.240 nan 0.000 0.535 278 N N 1.493 120.203 118.700 0.018 0.000 2.104 278 N HA -0.082 4.658 4.740 -0.000 0.000 0.190 278 N C 1.853 177.374 175.510 0.017 0.000 1.024 278 N CA 1.208 54.270 53.050 0.021 0.000 0.853 278 N CB -0.074 38.431 38.487 0.030 0.000 1.008 278 N HN 0.591 nan 8.380 nan 0.000 0.424 279 E N 0.687 120.899 120.200 0.020 0.000 2.118 279 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 279 E C 1.706 178.299 176.600 -0.013 0.000 0.992 279 E CA 0.785 57.192 56.400 0.012 0.000 0.804 279 E CB -0.138 29.575 29.700 0.023 0.000 0.741 279 E HN 0.551 nan 8.360 nan 0.000 0.458 280 E N 0.703 120.894 120.200 -0.016 0.000 2.072 280 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 280 E C 2.322 178.890 176.600 -0.054 0.000 0.985 280 E CA 0.383 56.760 56.400 -0.038 0.000 0.801 280 E CB -0.064 29.614 29.700 -0.036 0.000 0.750 280 E HN 0.131 nan 8.360 nan 0.000 0.452 281 L N 0.741 121.945 121.223 -0.032 0.000 2.042 281 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 281 L C 2.215 179.068 176.870 -0.027 0.000 1.076 281 L CA 1.194 56.017 54.840 -0.027 0.000 0.749 281 L CB -0.138 41.927 42.059 0.009 0.000 0.893 281 L HN 0.227 nan 8.230 nan 0.000 0.432 282 L N -0.557 120.654 121.223 -0.020 0.000 2.191 282 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 282 L C 1.915 178.762 176.870 -0.038 0.000 1.103 282 L CA 1.222 56.049 54.840 -0.021 0.000 0.769 282 L CB -0.453 41.592 42.059 -0.024 0.000 0.908 282 L HN 0.366 nan 8.230 nan 0.000 0.438 283 E N -0.141 120.028 120.200 -0.052 0.000 2.465 283 E HA 0.131 4.480 4.350 -0.000 0.000 0.191 283 E C 0.298 176.852 176.600 -0.077 0.000 1.053 283 E CA -0.308 56.056 56.400 -0.060 0.000 0.869 283 E CB 0.280 29.943 29.700 -0.061 0.000 0.977 283 E HN 0.408 nan 8.360 nan 0.000 0.483 284 L N 1.461 122.630 121.223 -0.090 0.000 2.461 284 L HA 0.005 4.345 4.340 -0.000 0.000 0.272 284 L C 0.533 177.355 176.870 -0.080 0.000 1.197 284 L CA -0.036 54.724 54.840 -0.133 0.000 0.836 284 L CB 0.329 42.298 42.059 -0.151 0.000 1.105 284 L HN -0.042 nan 8.230 nan 0.000 0.477 285 D N 2.592 122.941 120.400 -0.084 0.000 2.551 285 D HA 0.291 4.931 4.640 -0.000 0.000 0.223 285 D C -0.599 175.698 176.300 -0.005 0.000 1.144 285 D CA -0.183 53.795 54.000 -0.037 0.000 1.025 285 D CB 0.156 40.937 40.800 -0.032 0.000 1.085 285 D HN 0.217 nan 8.370 nan 0.000 0.506 286 V N -0.220 119.697 119.914 0.005 0.000 3.001 286 V HA 0.480 4.600 4.120 -0.000 0.000 0.314 286 V C 0.806 176.915 176.094 0.025 0.000 1.099 286 V CA -0.765 61.552 62.300 0.029 0.000 0.989 286 V CB 2.121 33.971 31.823 0.045 0.000 1.040 286 V HN 0.018 nan 8.190 nan 0.000 0.434 287 D N 1.096 121.515 120.400 0.031 0.000 2.097 287 D HA 0.129 4.769 4.640 -0.000 0.000 0.197 287 D C 0.570 176.890 176.300 0.032 0.000 0.984 287 D CA 1.979 55.996 54.000 0.029 0.000 0.826 287 D CB 0.278 41.095 40.800 0.029 0.000 0.973 287 D HN 0.560 nan 8.370 nan 0.000 0.460 288 I N 0.954 121.547 120.570 0.039 0.000 2.465 288 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 288 I C -0.969 175.176 176.117 0.047 0.000 1.014 288 I CA -0.965 60.361 61.300 0.044 0.000 1.093 288 I CB 2.706 40.736 38.000 0.049 0.000 1.267 288 I HN -0.180 nan 8.210 nan 0.000 0.431 289 L N 8.045 129.293 121.223 0.042 0.000 2.298 289 L HA 0.491 4.830 4.340 -0.000 0.000 0.284 289 L C -0.789 176.109 176.870 0.047 0.000 1.013 289 L CA -0.338 54.527 54.840 0.042 0.000 0.824 289 L CB 1.520 43.596 42.059 0.027 0.000 1.221 289 L HN 0.317 nan 8.230 nan 0.000 0.418 290 V N 7.668 127.616 119.914 0.057 0.000 2.259 290 V HA 0.367 4.487 4.120 -0.000 0.000 0.267 290 V C -2.080 174.050 176.094 0.060 0.000 1.051 290 V CA -1.181 61.156 62.300 0.061 0.000 0.830 290 V CB 0.849 32.716 31.823 0.072 0.000 1.080 290 V HN 0.675 nan 8.190 nan 0.000 0.467 291 P HA 0.279 nan 4.420 nan 0.000 0.273 291 P C -0.133 177.196 177.300 0.047 0.000 1.428 291 P CA 0.012 63.140 63.100 0.047 0.000 0.995 291 P CB 1.213 32.936 31.700 0.037 0.000 1.286 292 A N 2.969 125.823 122.820 0.058 0.000 3.154 292 A HA 0.626 4.946 4.320 -0.000 0.000 0.310 292 A C 0.736 178.353 177.584 0.055 0.000 1.093 292 A CA -0.070 52.000 52.037 0.054 0.000 1.006 292 A CB 0.005 19.042 19.000 0.063 0.000 1.084 292 A HN 0.486 nan 8.150 nan 0.000 0.549 293 A N 0.093 122.942 122.820 0.049 0.000 2.017 293 A HA 0.796 5.116 4.320 -0.000 0.000 0.194 293 A C -0.049 177.557 177.584 0.037 0.000 1.985 293 A CA 0.040 52.106 52.037 0.048 0.000 1.584 293 A CB 0.130 19.163 19.000 0.054 0.000 1.244 293 A HN 0.428 nan 8.150 nan 0.000 0.587 294 L N 0.520 121.766 121.223 0.038 0.000 2.298 294 L HA 0.454 4.794 4.340 -0.000 0.000 0.268 294 L C -0.204 176.686 176.870 0.033 0.000 1.010 294 L CA -0.826 54.034 54.840 0.033 0.000 0.812 294 L CB 1.243 43.323 42.059 0.034 0.000 1.331 294 L HN 0.546 nan 8.230 nan 0.000 0.450 295 E N 0.039 120.255 120.200 0.027 0.000 2.392 295 E HA 0.208 4.558 4.350 -0.000 0.000 0.259 295 E C 0.686 177.309 176.600 0.037 0.000 1.108 295 E CA 0.428 56.844 56.400 0.027 0.000 0.916 295 E CB 0.428 30.141 29.700 0.022 0.000 0.989 295 E HN 0.832 nan 8.360 nan 0.000 0.432 296 G N 1.160 109.987 108.800 0.046 0.000 2.212 296 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.267 296 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.267 296 G C 0.981 175.974 174.900 0.154 0.000 1.002 296 G CA 0.765 45.907 45.100 0.071 0.000 0.729 296 G HN 0.650 nan 8.290 nan 0.000 0.517 297 A N -0.351 122.545 122.820 0.126 0.000 1.859 297 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 297 A C 1.461 179.156 177.584 0.185 0.000 1.198 297 A CA 1.436 53.561 52.037 0.148 0.000 0.629 297 A CB -0.131 18.916 19.000 0.079 0.000 0.830 297 A HN 0.879 nan 8.150 nan 0.000 0.446 298 I N 2.050 122.679 120.570 0.098 0.000 2.294 298 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 298 I C 0.227 176.381 176.117 0.060 0.000 1.098 298 I CA -0.386 60.921 61.300 0.012 0.000 1.277 298 I CB 0.047 38.049 38.000 0.003 0.000 1.434 298 I HN 0.568 nan 8.210 nan 0.000 0.498 299 H N 4.427 123.502 119.070 0.008 0.000 2.869 299 H HA 0.541 5.097 4.556 0.000 0.000 0.342 299 H C 0.890 176.222 175.328 0.007 0.000 1.250 299 H CA -0.623 55.430 56.048 0.008 0.000 1.217 299 H CB 0.728 30.495 29.762 0.010 0.000 1.917 299 H HN 0.409 nan 8.280 nan 0.000 0.586 300 A N 0.522 123.430 122.820 0.147 0.000 1.906 300 A HA -0.309 4.011 4.320 -0.000 0.000 0.222 300 A C 2.410 179.996 177.584 0.004 0.000 1.282 300 A CA 3.375 55.454 52.037 0.070 0.000 0.675 300 A CB -1.908 17.150 19.000 0.097 0.000 0.838 300 A HN 0.916 nan 8.150 nan 0.000 0.469 301 G N -0.851 107.966 108.800 0.027 0.000 2.440 301 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 301 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 301 G C 1.351 176.164 174.900 -0.146 0.000 1.154 301 G CA 1.440 46.516 45.100 -0.040 0.000 0.767 301 G HN 0.679 nan 8.290 nan 0.000 0.552 302 N N 1.204 119.709 118.700 -0.326 0.000 2.135 302 N HA 0.094 4.834 4.740 -0.000 0.000 0.186 302 N C 2.467 177.894 175.510 -0.137 0.000 1.027 302 N CA 1.254 54.154 53.050 -0.249 0.000 0.849 302 N CB -0.474 37.811 38.487 -0.337 0.000 1.002 302 N HN 0.321 nan 8.380 nan 0.000 0.425 303 A N 1.885 124.633 122.820 -0.120 0.000 1.900 303 A HA -0.339 3.981 4.320 -0.000 0.000 0.225 303 A C 1.955 179.512 177.584 -0.044 0.000 1.414 303 A CA 2.176 54.177 52.037 -0.061 0.000 0.702 303 A CB -0.909 18.070 19.000 -0.036 0.000 0.845 303 A HN 0.293 nan 8.150 nan 0.000 0.478 304 E N -0.507 119.670 120.200 -0.039 0.000 2.160 304 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 304 E C 1.753 178.335 176.600 -0.031 0.000 0.991 304 E CA 1.318 57.701 56.400 -0.028 0.000 0.810 304 E CB -0.269 29.418 29.700 -0.022 0.000 0.742 304 E HN 0.728 nan 8.360 nan 0.000 0.466 305 R N 0.312 120.787 120.500 -0.042 0.000 2.466 305 R HA 0.300 4.640 4.340 -0.000 0.000 0.279 305 R C 0.340 176.614 176.300 -0.043 0.000 0.976 305 R CA -0.157 55.919 56.100 -0.041 0.000 1.081 305 R CB 0.327 30.601 30.300 -0.044 0.000 1.215 305 R HN 0.045 nan 8.270 nan 0.000 0.546 306 I N 1.727 122.273 120.570 -0.040 0.000 2.322 306 I HA 0.048 4.218 4.170 -0.000 0.000 0.292 306 I C 0.881 176.983 176.117 -0.024 0.000 1.060 306 I CA 0.091 61.370 61.300 -0.035 0.000 1.309 306 I CB 1.165 39.146 38.000 -0.032 0.000 1.415 306 I HN 0.024 nan 8.210 nan 0.000 0.492 307 K N 4.766 125.151 120.400 -0.025 0.000 2.444 307 K HA 0.204 4.524 4.320 -0.000 0.000 0.193 307 K C 0.737 177.332 176.600 -0.009 0.000 1.024 307 K CA -0.128 56.148 56.287 -0.018 0.000 1.077 307 K CB 0.299 32.784 32.500 -0.024 0.000 0.833 307 K HN 0.689 nan 8.250 nan 0.000 0.517 308 A N 1.591 124.407 122.820 -0.006 0.000 2.440 308 A HA 0.068 4.388 4.320 -0.000 0.000 0.251 308 A C 0.655 178.245 177.584 0.010 0.000 1.089 308 A CA -0.130 51.910 52.037 0.005 0.000 0.779 308 A CB 0.417 19.422 19.000 0.009 0.000 1.022 308 A HN 0.184 nan 8.150 nan 0.000 0.492 309 K N 1.003 121.413 120.400 0.016 0.000 2.228 309 K HA 0.183 4.503 4.320 -0.000 0.000 0.202 309 K C 0.564 177.180 176.600 0.026 0.000 1.051 309 K CA 1.342 57.641 56.287 0.020 0.000 0.960 309 K CB 0.037 32.550 32.500 0.022 0.000 0.743 309 K HN 0.783 nan 8.250 nan 0.000 0.458 310 A N 0.599 123.438 122.820 0.031 0.000 2.549 310 A HA 0.532 4.852 4.320 -0.000 0.000 0.297 310 A C -1.320 176.287 177.584 0.039 0.000 1.061 310 A CA -0.700 51.361 52.037 0.040 0.000 0.690 310 A CB 1.858 20.892 19.000 0.056 0.000 1.287 310 A HN -0.096 nan 8.150 nan 0.000 0.402 311 V N 1.939 121.876 119.914 0.038 0.000 2.407 311 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 311 V C -0.496 175.624 176.094 0.043 0.000 1.018 311 V CA -0.514 61.807 62.300 0.035 0.000 0.842 311 V CB 1.499 33.336 31.823 0.023 0.000 0.996 311 V HN 0.659 nan 8.190 nan 0.000 0.426 312 V N 4.400 124.344 119.914 0.051 0.000 2.270 312 V HA 0.249 4.369 4.120 -0.000 0.000 0.263 312 V C 0.607 176.728 176.094 0.046 0.000 1.066 312 V CA -0.578 61.757 62.300 0.059 0.000 0.857 312 V CB 0.529 32.396 31.823 0.074 0.000 1.099 312 V HN 0.915 nan 8.190 nan 0.000 0.476 313 E N 3.455 123.673 120.200 0.030 0.000 2.175 313 E HA 0.011 4.361 4.350 -0.000 0.000 0.247 313 E C 1.446 178.059 176.600 0.021 0.000 1.259 313 E CA 0.315 56.726 56.400 0.019 0.000 0.969 313 E CB 0.588 30.288 29.700 0.000 0.000 1.051 313 E HN 0.827 nan 8.360 nan 0.000 0.448 314 G N 2.847 111.667 108.800 0.033 0.000 2.448 314 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.218 314 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.218 314 G C 0.642 175.556 174.900 0.024 0.000 1.135 314 G CA 0.610 45.731 45.100 0.036 0.000 0.784 314 G HN 0.529 nan 8.290 nan 0.000 0.543 315 A N -0.175 122.656 122.820 0.018 0.000 2.352 315 A HA 0.669 4.989 4.320 -0.000 0.000 0.299 315 A C -0.396 177.180 177.584 -0.013 0.000 1.160 315 A CA -0.759 51.282 52.037 0.008 0.000 0.933 315 A CB 0.631 19.641 19.000 0.017 0.000 1.387 315 A HN 0.121 nan 8.150 nan 0.000 0.487 316 N N 0.141 118.828 118.700 -0.022 0.000 2.434 316 N HA 0.421 5.161 4.740 -0.000 0.000 0.272 316 N C 0.572 176.055 175.510 -0.043 0.000 1.040 316 N CA 0.980 53.998 53.050 -0.053 0.000 0.956 316 N CB 1.150 39.602 38.487 -0.058 0.000 1.108 316 N HN 1.315 nan 8.380 nan 0.000 0.481 317 G N 3.242 112.003 108.800 -0.064 0.000 2.356 317 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.296 317 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.296 317 G C -1.595 173.304 174.900 -0.000 0.000 1.022 317 G CA -0.315 44.763 45.100 -0.037 0.000 0.961 317 G HN 0.482 nan 8.290 nan 0.000 0.510 318 P HA 0.009 nan 4.420 nan 0.000 0.219 318 P C 1.381 178.705 177.300 0.040 0.000 1.150 318 P CA 1.894 65.010 63.100 0.027 0.000 0.814 318 P CB 0.153 31.868 31.700 0.025 0.000 0.787 319 T N -2.314 112.257 114.554 0.028 0.000 2.744 319 T HA 0.427 4.777 4.350 -0.000 0.000 0.291 319 T C 0.257 174.980 174.700 0.037 0.000 0.957 319 T CA -0.697 61.424 62.100 0.034 0.000 1.002 319 T CB 0.410 69.290 68.868 0.021 0.000 0.919 319 T HN -0.015 nan 8.240 nan 0.000 0.468 320 T N 1.765 116.352 114.554 0.056 0.000 2.860 320 T HA 0.299 4.649 4.350 -0.000 0.000 0.299 320 T C -1.237 173.487 174.700 0.040 0.000 1.045 320 T CA -1.600 60.532 62.100 0.054 0.000 1.071 320 T CB 0.576 69.490 68.868 0.077 0.000 0.985 320 T HN 0.387 nan 8.240 nan 0.000 0.537 321 P HA -0.148 nan 4.420 nan 0.000 0.216 321 P C 1.270 178.584 177.300 0.023 0.000 1.150 321 P CA 1.187 64.302 63.100 0.025 0.000 0.837 321 P CB 0.157 31.870 31.700 0.022 0.000 0.786 322 E N 0.494 120.712 120.200 0.030 0.000 2.058 322 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 322 E C 2.274 178.889 176.600 0.025 0.000 0.997 322 E CA 1.571 57.988 56.400 0.028 0.000 0.801 322 E CB -1.181 28.543 29.700 0.039 0.000 0.746 322 E HN 0.249 nan 8.360 nan 0.000 0.450 323 A N 1.894 124.733 122.820 0.032 0.000 1.933 323 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 323 A C 1.916 179.508 177.584 0.013 0.000 1.175 323 A CA 1.716 53.765 52.037 0.019 0.000 0.628 323 A CB -0.418 18.596 19.000 0.023 0.000 0.814 323 A HN 0.081 nan 8.150 nan 0.000 0.444 324 D N -0.147 120.263 120.400 0.016 0.000 2.103 324 D HA -0.176 4.464 4.640 -0.000 0.000 0.190 324 D C 1.944 178.249 176.300 0.009 0.000 0.997 324 D CA 1.672 55.680 54.000 0.013 0.000 0.833 324 D CB -0.408 40.402 40.800 0.016 0.000 0.961 324 D HN 0.632 nan 8.370 nan 0.000 0.447 325 E N 0.143 120.349 120.200 0.009 0.000 2.070 325 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 325 E C 2.443 179.045 176.600 0.005 0.000 1.004 325 E CA 0.743 57.147 56.400 0.006 0.000 0.805 325 E CB -0.131 29.572 29.700 0.006 0.000 0.744 325 E HN 0.366 nan 8.360 nan 0.000 0.451 326 I N 0.941 121.514 120.570 0.004 0.000 2.142 326 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 326 I C 2.473 178.590 176.117 -0.000 0.000 1.078 326 I CA 1.026 62.327 61.300 0.001 0.000 1.343 326 I CB -0.335 37.664 38.000 -0.002 0.000 1.046 326 I HN 0.112 nan 8.210 nan 0.000 0.405 327 L N 0.078 121.301 121.223 0.000 0.000 2.042 327 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 327 L C 2.712 179.583 176.870 0.003 0.000 1.076 327 L CA 1.391 56.231 54.840 0.000 0.000 0.749 327 L CB -0.626 41.434 42.059 0.002 0.000 0.893 327 L HN 0.212 nan 8.230 nan 0.000 0.432 328 S N -0.737 114.966 115.700 0.004 0.000 2.368 328 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 328 S C 2.040 176.642 174.600 0.004 0.000 1.029 328 S CA 1.003 59.206 58.200 0.005 0.000 0.988 328 S CB -0.288 62.915 63.200 0.005 0.000 0.838 328 S HN 0.332 nan 8.310 nan 0.000 0.462 329 R N 1.348 121.850 120.500 0.003 0.000 2.096 329 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 329 R C 1.820 178.121 176.300 0.002 0.000 1.127 329 R CA 1.149 57.251 56.100 0.003 0.000 0.968 329 R CB -0.066 30.235 30.300 0.002 0.000 0.861 329 R HN 0.284 nan 8.270 nan 0.000 0.440 330 R N -0.893 119.608 120.500 0.001 0.000 2.313 330 R HA 0.073 4.413 4.340 -0.000 0.000 0.199 330 R C 0.930 177.232 176.300 0.003 0.000 0.958 330 R CA 0.538 56.639 56.100 0.001 0.000 1.047 330 R CB 0.371 30.670 30.300 -0.002 0.000 0.955 330 R HN 0.514 nan 8.270 nan 0.000 0.481 331 G N 1.548 110.351 108.800 0.005 0.000 2.148 331 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 331 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 331 G C 0.184 175.090 174.900 0.010 0.000 0.981 331 G CA -0.143 44.961 45.100 0.008 0.000 0.670 331 G HN 0.281 nan 8.290 nan 0.000 0.528 332 I N 0.940 121.515 120.570 0.008 0.000 2.379 332 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 332 I C 0.815 176.940 176.117 0.013 0.000 1.063 332 I CA -0.924 60.382 61.300 0.011 0.000 1.351 332 I CB 0.964 38.968 38.000 0.007 0.000 1.410 332 I HN 0.095 nan 8.210 nan 0.000 0.505 333 L N 9.092 130.327 121.223 0.020 0.000 2.410 333 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 333 L C -0.292 176.590 176.870 0.020 0.000 1.144 333 L CA 0.430 55.282 54.840 0.021 0.000 0.863 333 L CB 0.846 42.928 42.059 0.039 0.000 1.140 333 L HN 0.330 nan 8.230 nan 0.000 0.463 334 V N 6.550 126.468 119.914 0.007 0.000 2.325 334 V HA 0.254 4.374 4.120 -0.000 0.000 0.280 334 V C -0.230 175.857 176.094 -0.012 0.000 1.016 334 V CA -0.816 61.487 62.300 0.005 0.000 0.818 334 V CB 1.485 33.310 31.823 0.004 0.000 1.019 334 V HN 0.521 nan 8.190 nan 0.000 0.434 335 V N 8.439 128.353 119.914 0.000 0.000 2.446 335 V HA 0.161 4.281 4.120 -0.000 0.000 0.276 335 V C -1.580 174.493 176.094 -0.034 0.000 1.030 335 V CA -1.290 60.995 62.300 -0.025 0.000 1.033 335 V CB 0.710 32.564 31.823 0.051 0.000 0.993 335 V HN 0.680 nan 8.190 nan 0.000 0.477 336 P HA 0.030 nan 4.420 nan 0.000 0.265 336 P C 0.158 177.408 177.300 -0.082 0.000 1.193 336 P CA -0.043 63.007 63.100 -0.082 0.000 0.765 336 P CB 0.766 32.382 31.700 -0.141 0.000 0.823 337 D N 4.177 124.532 120.400 -0.076 0.000 2.133 337 D HA -0.263 4.377 4.640 -0.000 0.000 0.195 337 D C 1.784 178.031 176.300 -0.088 0.000 0.997 337 D CA 1.375 55.332 54.000 -0.072 0.000 0.840 337 D CB -1.115 39.634 40.800 -0.085 0.000 0.947 337 D HN 0.514 nan 8.370 nan 0.000 0.452 338 I N -1.914 118.572 120.570 -0.141 0.000 2.399 338 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 338 I C 1.993 178.055 176.117 -0.092 0.000 1.146 338 I CA 1.111 62.331 61.300 -0.133 0.000 1.412 338 I CB -0.310 37.558 38.000 -0.220 0.000 1.076 338 I HN 0.086 nan 8.210 nan 0.000 0.432 339 L N 1.417 122.586 121.223 -0.091 0.000 2.269 339 L HA 0.369 4.709 4.340 -0.000 0.000 0.200 339 L C 2.621 179.494 176.870 0.005 0.000 1.069 339 L CA 1.701 56.513 54.840 -0.046 0.000 0.804 339 L CB -0.845 41.169 42.059 -0.074 0.000 0.987 339 L HN 0.150 nan 8.230 nan 0.000 0.468 340 A N 1.172 123.996 122.820 0.006 0.000 1.859 340 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 340 A C 1.798 179.402 177.584 0.032 0.000 1.198 340 A CA 2.181 54.241 52.037 0.039 0.000 0.629 340 A CB -1.291 17.729 19.000 0.033 0.000 0.830 340 A HN 0.745 nan 8.150 nan 0.000 0.446 341 N N -0.052 118.655 118.700 0.011 0.000 2.383 341 N HA 0.323 5.063 4.740 -0.000 0.000 0.192 341 N C 0.998 176.511 175.510 0.005 0.000 1.141 341 N CA 1.005 54.062 53.050 0.012 0.000 0.851 341 N CB -0.390 38.100 38.487 0.005 0.000 0.976 341 N HN 0.359 nan 8.380 nan 0.000 0.465 342 A N 0.292 123.114 122.820 0.003 0.000 2.186 342 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 342 A C 2.217 179.802 177.584 0.002 0.000 1.159 342 A CA 1.137 53.173 52.037 -0.001 0.000 0.680 342 A CB -1.362 17.636 19.000 -0.002 0.000 0.787 342 A HN 0.430 nan 8.150 nan 0.000 0.467 343 G N -0.039 108.771 108.800 0.016 0.000 2.503 343 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.221 343 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.221 343 G C 1.492 176.393 174.900 0.000 0.000 1.131 343 G CA 1.303 46.416 45.100 0.021 0.000 0.756 343 G HN 0.684 nan 8.290 nan 0.000 0.572 344 G N 0.364 109.161 108.800 -0.006 0.000 2.421 344 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 344 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 344 G C 1.788 176.670 174.900 -0.029 0.000 1.171 344 G CA 1.372 46.462 45.100 -0.017 0.000 0.775 344 G HN 0.355 nan 8.290 nan 0.000 0.543 345 V N 1.308 121.205 119.914 -0.029 0.000 2.358 345 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 345 V C 3.149 179.225 176.094 -0.030 0.000 1.047 345 V CA 2.285 64.569 62.300 -0.027 0.000 1.035 345 V CB -1.193 30.621 31.823 -0.014 0.000 0.658 345 V HN 0.421 nan 8.190 nan 0.000 0.452 346 T N 0.341 114.846 114.554 -0.083 0.000 2.699 346 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 346 T C 1.917 176.273 174.700 -0.573 0.000 1.036 346 T CA 1.768 63.722 62.100 -0.243 0.000 1.147 346 T CB -0.402 68.372 68.868 -0.157 0.000 0.862 346 T HN 0.324 nan 8.240 nan 0.000 0.446 347 V N 2.185 121.935 119.914 -0.274 0.000 2.453 347 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 347 V C 2.892 178.958 176.094 -0.046 0.000 1.048 347 V CA 1.753 63.982 62.300 -0.118 0.000 1.049 347 V CB -0.919 30.953 31.823 0.082 0.000 0.672 347 V HN 0.697 nan 8.190 nan 0.000 0.457 348 S N 0.036 115.723 115.700 -0.022 0.000 2.382 348 S HA -0.304 4.166 4.470 -0.000 0.000 0.228 348 S C 2.038 176.727 174.600 0.148 0.000 1.027 348 S CA 1.805 60.022 58.200 0.028 0.000 0.991 348 S CB -0.786 62.396 63.200 -0.030 0.000 0.823 348 S HN 0.641 nan 8.310 nan 0.000 0.469 349 Y N 2.284 122.625 120.300 0.068 0.000 2.114 349 Y HA -0.074 4.476 4.550 -0.000 0.000 0.284 349 Y C 1.784 177.849 175.900 0.275 0.000 1.143 349 Y CA 1.179 59.469 58.100 0.316 0.000 1.135 349 Y CB -0.959 37.565 38.460 0.106 0.000 0.980 349 Y HN 0.226 nan 8.280 nan 0.000 0.499 350 F N 1.074 120.985 119.950 -0.065 0.000 2.161 350 F HA -0.174 4.352 4.527 -0.000 0.000 0.300 350 F C 2.619 178.146 175.800 -0.456 0.000 1.089 350 F CA 1.546 59.325 58.000 -0.367 0.000 1.282 350 F CB -1.317 37.591 39.000 -0.155 0.000 1.010 350 F HN 0.244 nan 8.300 nan 0.000 0.485 351 E N -0.748 119.442 120.200 -0.017 0.000 2.031 351 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 351 E C 2.221 178.792 176.600 -0.048 0.000 0.994 351 E CA 1.508 57.876 56.400 -0.053 0.000 0.800 351 E CB -0.524 29.198 29.700 0.038 0.000 0.752 351 E HN 0.407 nan 8.360 nan 0.000 0.447 352 W N 0.999 122.231 121.300 -0.113 0.000 2.318 352 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 352 W C 1.966 178.395 176.519 -0.150 0.000 1.221 352 W CA 1.871 59.174 57.345 -0.069 0.000 1.266 352 W CB -0.694 28.837 29.460 0.118 0.000 1.150 352 W HN -0.043 nan 8.180 nan 0.000 0.496 353 V N 0.781 120.532 119.914 -0.273 0.000 2.220 353 V HA -0.405 3.715 4.120 -0.000 0.000 0.246 353 V C 2.394 178.193 176.094 -0.493 0.000 1.049 353 V CA 2.605 64.628 62.300 -0.462 0.000 1.003 353 V CB -1.357 30.226 31.823 -0.401 0.000 0.634 353 V HN 0.245 nan 8.190 nan 0.000 0.444 354 Q N -0.422 118.995 119.800 -0.638 0.000 2.133 354 Q HA -0.281 4.059 4.340 -0.000 0.000 0.208 354 Q C 2.070 177.628 176.000 -0.737 0.000 0.991 354 Q CA 2.107 57.445 55.803 -0.775 0.000 0.867 354 Q CB -0.312 27.842 28.738 -0.973 0.000 0.911 354 Q HN 0.661 nan 8.270 nan 0.000 0.417 355 D N 0.133 120.201 120.400 -0.553 0.000 2.097 355 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 355 D C 1.869 177.974 176.300 -0.325 0.000 0.989 355 D CA 0.882 54.653 54.000 -0.382 0.000 0.827 355 D CB -0.151 40.546 40.800 -0.172 0.000 0.966 355 D HN 0.115 nan 8.370 nan 0.000 0.456 356 L N 0.816 121.791 121.223 -0.413 0.000 2.043 356 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 356 L C 2.227 178.977 176.870 -0.200 0.000 1.075 356 L CA 1.638 56.273 54.840 -0.341 0.000 0.752 356 L CB -0.693 41.067 42.059 -0.499 0.000 0.891 356 L HN 0.214 nan 8.230 nan 0.000 0.432 357 Q N -2.391 117.284 119.800 -0.207 0.000 2.280 357 Q HA 0.153 4.493 4.340 -0.000 0.000 0.201 357 Q C 0.725 176.679 176.000 -0.076 0.000 0.890 357 Q CA 0.598 56.338 55.803 -0.105 0.000 0.947 357 Q CB 0.292 28.994 28.738 -0.059 0.000 1.081 357 Q HN 0.220 nan 8.270 nan 0.000 0.502 358 S N -0.321 115.269 115.700 -0.184 0.000 3.225 358 S HA -0.224 4.246 4.470 -0.000 0.000 0.308 358 S C -0.370 174.157 174.600 -0.122 0.000 1.270 358 S CA 1.047 59.152 58.200 -0.160 0.000 1.011 358 S CB -1.351 61.870 63.200 0.035 0.000 1.138 358 S HN 0.672 nan 8.310 nan 0.000 0.661 359 F N 1.125 120.861 119.950 -0.356 0.000 2.458 359 F HA 0.659 5.186 4.527 -0.000 0.000 0.336 359 F C -0.435 175.160 175.800 -0.342 0.000 1.114 359 F CA -1.137 56.785 58.000 -0.130 0.000 0.987 359 F CB 0.758 39.762 39.000 0.006 0.000 1.130 359 F HN -0.045 nan 8.300 nan 0.000 0.458 360 F N 4.466 124.185 119.950 -0.386 0.000 2.443 360 F HA 0.381 4.908 4.527 -0.000 0.000 0.335 360 F C -0.789 174.968 175.800 -0.072 0.000 1.104 360 F CA -0.995 56.851 58.000 -0.257 0.000 1.013 360 F CB 0.727 39.584 39.000 -0.238 0.000 1.136 360 F HN 0.297 nan 8.300 nan 0.000 0.470 361 W N 1.660 122.991 121.300 0.053 0.000 2.237 361 W HA 0.319 4.979 4.660 -0.000 0.000 0.335 361 W C -0.093 176.436 176.519 0.017 0.000 1.230 361 W CA -1.518 55.846 57.345 0.032 0.000 1.253 361 W CB 0.170 29.629 29.460 -0.003 0.000 1.129 361 W HN 0.525 nan 8.180 nan 0.000 0.590 362 D N -0.150 120.390 120.400 0.234 0.000 2.312 362 D HA 0.213 4.853 4.640 -0.000 0.000 0.248 362 D C 1.163 177.533 176.300 0.116 0.000 1.086 362 D CA -0.664 53.410 54.000 0.124 0.000 0.948 362 D CB 0.941 41.784 40.800 0.071 0.000 1.162 362 D HN 0.116 nan 8.370 nan 0.000 0.446 363 L N 0.841 122.108 121.223 0.073 0.000 2.040 363 L HA -0.320 4.020 4.340 -0.000 0.000 0.228 363 L C 1.409 178.311 176.870 0.054 0.000 1.092 363 L CA 2.217 57.092 54.840 0.058 0.000 0.805 363 L CB -0.887 41.191 42.059 0.031 0.000 0.905 363 L HN 0.565 nan 8.230 nan 0.000 0.443 364 D N -1.197 119.224 120.400 0.036 0.000 2.126 364 D HA -0.281 4.359 4.640 -0.000 0.000 0.190 364 D C 2.015 178.319 176.300 0.007 0.000 1.001 364 D CA 2.041 56.051 54.000 0.018 0.000 0.841 364 D CB -0.153 40.651 40.800 0.006 0.000 0.949 364 D HN 0.616 nan 8.370 nan 0.000 0.446 365 Q N 0.396 120.199 119.800 0.005 0.000 2.077 365 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 365 Q C 2.581 178.561 176.000 -0.033 0.000 0.989 365 Q CA 1.138 56.907 55.803 -0.057 0.000 0.853 365 Q CB -0.148 28.543 28.738 -0.078 0.000 0.907 365 Q HN 0.175 nan 8.270 nan 0.000 0.418 366 V N 0.948 120.919 119.914 0.096 0.000 2.287 366 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 366 V C 2.221 178.363 176.094 0.080 0.000 1.053 366 V CA 1.991 64.357 62.300 0.109 0.000 1.027 366 V CB -0.587 31.351 31.823 0.192 0.000 0.646 366 V HN 0.310 nan 8.190 nan 0.000 0.447 367 R N 0.349 120.890 120.500 0.068 0.000 2.080 367 R HA -0.186 4.154 4.340 -0.000 0.000 0.236 367 R C 2.198 178.528 176.300 0.050 0.000 1.137 367 R CA 2.171 58.309 56.100 0.064 0.000 0.943 367 R CB -0.592 29.730 30.300 0.037 0.000 0.846 367 R HN 0.659 nan 8.270 nan 0.000 0.431 368 N N 0.395 119.098 118.700 0.005 0.000 2.069 368 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 368 N C 1.857 177.362 175.510 -0.007 0.000 1.031 368 N CA 1.179 54.221 53.050 -0.013 0.000 0.852 368 N CB -0.194 38.262 38.487 -0.052 0.000 1.018 368 N HN 0.236 nan 8.380 nan 0.000 0.423 369 A N 0.994 123.772 122.820 -0.069 0.000 1.933 369 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 369 A C 2.138 179.854 177.584 0.221 0.000 1.175 369 A CA 0.972 52.961 52.037 -0.080 0.000 0.628 369 A CB -0.655 18.034 19.000 -0.519 0.000 0.814 369 A HN 0.252 nan 8.150 nan 0.000 0.444 370 L N 0.147 121.559 121.223 0.316 0.000 2.017 370 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 370 L C 2.210 179.221 176.870 0.235 0.000 1.073 370 L CA 2.413 57.516 54.840 0.437 0.000 0.745 370 L CB -0.682 41.592 42.059 0.359 0.000 0.894 370 L HN 0.511 nan 8.230 nan 0.000 0.432 371 E N -0.535 119.753 120.200 0.146 0.000 2.106 371 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 371 E C 2.112 178.765 176.600 0.087 0.000 0.984 371 E CA 1.154 57.609 56.400 0.092 0.000 0.806 371 E CB -0.155 29.577 29.700 0.054 0.000 0.750 371 E HN 0.481 nan 8.360 nan 0.000 0.458 372 K N 1.007 121.461 120.400 0.091 0.000 2.020 372 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 372 K C 2.131 178.794 176.600 0.105 0.000 1.050 372 K CA 1.610 57.944 56.287 0.078 0.000 0.929 372 K CB -0.056 32.482 32.500 0.064 0.000 0.714 372 K HN 0.062 nan 8.250 nan 0.000 0.443 373 M N -0.055 119.641 119.600 0.161 0.000 2.296 373 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 373 M C 2.201 178.576 176.300 0.126 0.000 1.064 373 M CA 0.922 56.317 55.300 0.158 0.000 1.109 373 M CB -0.085 32.649 32.600 0.222 0.000 1.396 373 M HN 0.218 nan 8.290 nan 0.000 0.430 374 M N 0.441 120.117 119.600 0.127 0.000 2.099 374 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 374 M C 1.982 178.359 176.300 0.127 0.000 1.067 374 M CA 1.842 57.212 55.300 0.118 0.000 1.124 374 M CB -1.002 31.660 32.600 0.103 0.000 1.353 374 M HN 0.175 nan 8.290 nan 0.000 0.410 375 K N -0.471 119.979 120.400 0.082 0.000 2.063 375 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 375 K C 2.054 178.723 176.600 0.115 0.000 1.048 375 K CA 1.393 57.713 56.287 0.056 0.000 0.928 375 K CB -0.560 31.944 32.500 0.007 0.000 0.713 375 K HN 0.469 nan 8.250 nan 0.000 0.442 376 G N 1.298 110.158 108.800 0.099 0.000 2.480 376 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 376 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 376 G C 1.653 176.617 174.900 0.106 0.000 1.200 376 G CA 1.096 46.252 45.100 0.092 0.000 0.782 376 G HN 0.368 nan 8.290 nan 0.000 0.554 377 A N 0.209 123.092 122.820 0.105 0.000 1.908 377 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 377 A C 2.189 179.834 177.584 0.101 0.000 1.181 377 A CA 1.728 53.812 52.037 0.079 0.000 0.627 377 A CB -0.608 18.429 19.000 0.062 0.000 0.818 377 A HN 0.388 nan 8.150 nan 0.000 0.445 378 F N 1.515 121.467 119.950 0.004 0.000 2.026 378 F HA -0.257 4.270 4.527 -0.000 0.000 0.296 378 F C 2.214 178.015 175.800 0.002 0.000 1.133 378 F CA 2.325 60.326 58.000 0.002 0.000 1.188 378 F CB -0.353 38.652 39.000 0.009 0.000 0.968 378 F HN 0.228 nan 8.300 nan 0.000 0.476 379 N N 0.707 119.626 118.700 0.365 0.000 2.094 379 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 379 N C 1.460 177.023 175.510 0.088 0.000 1.023 379 N CA 1.759 54.943 53.050 0.223 0.000 0.857 379 N CB -0.776 37.807 38.487 0.160 0.000 1.013 379 N HN 0.376 nan 8.380 nan 0.000 0.426 380 D N 0.405 120.841 120.400 0.060 0.000 2.149 380 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 380 D C 2.097 178.385 176.300 -0.019 0.000 0.990 380 D CA 0.515 54.526 54.000 0.018 0.000 0.839 380 D CB -0.269 40.539 40.800 0.014 0.000 0.948 380 D HN 0.057 nan 8.370 nan 0.000 0.460 381 V N 0.929 120.805 119.914 -0.063 0.000 2.358 381 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 381 V C 2.475 178.497 176.094 -0.119 0.000 1.047 381 V CA 1.068 63.295 62.300 -0.123 0.000 1.035 381 V CB -0.315 31.380 31.823 -0.213 0.000 0.658 381 V HN 0.183 nan 8.190 nan 0.000 0.452 382 M N -0.041 119.482 119.600 -0.128 0.000 2.108 382 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 382 M C 2.163 178.456 176.300 -0.011 0.000 1.066 382 M CA 1.815 57.069 55.300 -0.076 0.000 1.107 382 M CB -1.142 31.457 32.600 -0.002 0.000 1.356 382 M HN 0.344 nan 8.290 nan 0.000 0.406 383 K N -0.478 119.927 120.400 0.009 0.000 2.032 383 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 383 K C 1.988 178.613 176.600 0.043 0.000 1.048 383 K CA 1.455 57.758 56.287 0.027 0.000 0.927 383 K CB -0.433 32.084 32.500 0.027 0.000 0.712 383 K HN 0.152 nan 8.250 nan 0.000 0.441 384 V N 1.957 121.892 119.914 0.034 0.000 2.407 384 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 384 V C 2.385 178.538 176.094 0.099 0.000 1.055 384 V CA 1.615 63.961 62.300 0.077 0.000 1.049 384 V CB -0.438 31.378 31.823 -0.011 0.000 0.662 384 V HN 0.356 nan 8.190 nan 0.000 0.455 385 K N 0.420 120.834 120.400 0.024 0.000 2.009 385 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 385 K C 2.109 178.744 176.600 0.059 0.000 1.049 385 K CA 2.264 58.563 56.287 0.021 0.000 0.929 385 K CB -0.195 32.288 32.500 -0.028 0.000 0.714 385 K HN 0.580 nan 8.250 nan 0.000 0.440 386 E N 0.412 120.639 120.200 0.045 0.000 2.077 386 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 386 E C 2.127 178.753 176.600 0.043 0.000 0.989 386 E CA 1.239 57.662 56.400 0.038 0.000 0.800 386 E CB -0.032 29.683 29.700 0.026 0.000 0.746 386 E HN 0.302 nan 8.360 nan 0.000 0.452 387 K N 0.171 120.613 120.400 0.070 0.000 2.097 387 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 387 K C 1.278 177.847 176.600 -0.052 0.000 1.049 387 K CA 1.379 57.680 56.287 0.024 0.000 0.933 387 K CB 0.008 32.558 32.500 0.083 0.000 0.717 387 K HN 0.183 nan 8.250 nan 0.000 0.442 388 Y N -0.411 119.876 120.300 -0.022 0.000 2.449 388 Y HA 0.122 4.672 4.550 -0.000 0.000 0.254 388 Y C 0.125 176.013 175.900 -0.020 0.000 1.140 388 Y CA -0.089 57.998 58.100 -0.023 0.000 1.272 388 Y CB 0.380 38.824 38.460 -0.027 0.000 1.114 388 Y HN 0.185 nan 8.280 nan 0.000 0.525 389 N N 0.751 119.516 118.700 0.108 0.000 2.696 389 N HA -0.163 4.577 4.740 -0.000 0.000 0.256 389 N C -1.026 174.518 175.510 0.058 0.000 1.031 389 N CA 0.756 53.840 53.050 0.056 0.000 0.730 389 N CB -0.908 37.594 38.487 0.025 0.000 0.894 389 N HN 0.204 nan 8.380 nan 0.000 0.544 390 V N -2.831 117.119 119.914 0.060 0.000 3.119 390 V HA 0.675 4.795 4.120 -0.000 0.000 0.311 390 V C 0.351 176.454 176.094 0.014 0.000 1.259 390 V CA -0.927 61.395 62.300 0.036 0.000 1.067 390 V CB 1.349 33.194 31.823 0.037 0.000 1.123 390 V HN 0.196 nan 8.190 nan 0.000 0.463 391 D N 0.049 120.453 120.400 0.007 0.000 2.424 391 D HA 0.139 4.779 4.640 -0.000 0.000 0.244 391 D C 1.056 177.347 176.300 -0.014 0.000 1.134 391 D CA 0.381 54.381 54.000 -0.001 0.000 0.881 391 D CB 1.171 41.976 40.800 0.008 0.000 1.191 391 D HN 0.729 nan 8.370 nan 0.000 0.445 392 M N 3.721 123.298 119.600 -0.038 0.000 2.143 392 M HA -0.256 4.224 4.480 -0.000 0.000 0.258 392 M C 1.994 178.248 176.300 -0.076 0.000 1.071 392 M CA 1.605 56.856 55.300 -0.082 0.000 1.088 392 M CB 0.034 32.558 32.600 -0.125 0.000 1.360 392 M HN 0.511 nan 8.290 nan 0.000 0.404 393 R N -0.706 119.779 120.500 -0.025 0.000 2.080 393 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 393 R C 1.806 178.191 176.300 0.143 0.000 1.137 393 R CA 2.430 58.549 56.100 0.032 0.000 0.943 393 R CB -0.578 29.789 30.300 0.112 0.000 0.846 393 R HN 0.407 nan 8.270 nan 0.000 0.431 394 T N 0.827 115.458 114.554 0.128 0.000 2.720 394 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 394 T C 1.876 176.588 174.700 0.021 0.000 1.037 394 T CA 1.420 63.587 62.100 0.113 0.000 1.144 394 T CB -0.394 68.482 68.868 0.013 0.000 0.864 394 T HN 0.470 nan 8.240 nan 0.000 0.444 395 A N 1.734 124.527 122.820 -0.045 0.000 1.883 395 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 395 A C 2.730 180.237 177.584 -0.128 0.000 1.186 395 A CA 2.033 54.004 52.037 -0.109 0.000 0.624 395 A CB -1.318 17.629 19.000 -0.089 0.000 0.822 395 A HN 0.533 nan 8.150 nan 0.000 0.444 396 A N -1.309 121.422 122.820 -0.148 0.000 1.892 396 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 396 A C 2.098 179.539 177.584 -0.238 0.000 1.188 396 A CA 1.812 53.715 52.037 -0.224 0.000 0.631 396 A CB -0.913 17.889 19.000 -0.330 0.000 0.822 396 A HN 0.612 nan 8.150 nan 0.000 0.447 397 Y N -0.150 120.088 120.300 -0.104 0.000 2.181 397 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 397 Y C 2.263 178.026 175.900 -0.229 0.000 1.146 397 Y CA 1.324 59.332 58.100 -0.153 0.000 1.164 397 Y CB -0.442 37.932 38.460 -0.144 0.000 0.982 397 Y HN 0.225 nan 8.280 nan 0.000 0.515 398 I N -0.856 119.652 120.570 -0.105 0.000 2.163 398 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 398 I C 2.361 178.380 176.117 -0.164 0.000 1.085 398 I CA 1.108 62.273 61.300 -0.224 0.000 1.347 398 I CB -0.511 37.241 38.000 -0.413 0.000 1.044 398 I HN 0.227 nan 8.210 nan 0.000 0.408 399 L N 1.447 122.592 121.223 -0.130 0.000 1.989 399 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 399 L C 2.571 179.433 176.870 -0.015 0.000 1.071 399 L CA 2.317 57.114 54.840 -0.071 0.000 0.749 399 L CB -1.045 40.973 42.059 -0.068 0.000 0.890 399 L HN 0.210 nan 8.230 nan 0.000 0.431 400 A N -0.114 122.706 122.820 0.001 0.000 1.865 400 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 400 A C 2.283 179.967 177.584 0.168 0.000 1.191 400 A CA 2.317 54.432 52.037 0.131 0.000 0.623 400 A CB -1.018 18.115 19.000 0.221 0.000 0.826 400 A HN 0.555 nan 8.150 nan 0.000 0.444 401 I N -0.311 120.233 120.570 -0.045 0.000 2.264 401 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 401 I C 2.277 178.439 176.117 0.075 0.000 1.111 401 I CA 1.809 63.065 61.300 -0.074 0.000 1.382 401 I CB -0.493 37.379 38.000 -0.213 0.000 1.060 401 I HN 0.390 nan 8.210 nan 0.000 0.418 402 D N 1.053 121.472 120.400 0.031 0.000 2.078 402 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 402 D C 2.361 178.735 176.300 0.123 0.000 0.990 402 D CA 1.591 55.626 54.000 0.059 0.000 0.827 402 D CB 0.009 40.816 40.800 0.011 0.000 0.975 402 D HN 0.094 nan 8.370 nan 0.000 0.451 403 R N -0.294 120.276 120.500 0.116 0.000 2.096 403 R HA -0.116 4.224 4.340 -0.000 0.000 0.240 403 R C 2.451 178.873 176.300 0.204 0.000 1.139 403 R CA 1.341 57.530 56.100 0.148 0.000 0.952 403 R CB -0.498 29.867 30.300 0.109 0.000 0.854 403 R HN 0.177 nan 8.270 nan 0.000 0.436 404 V N 0.841 120.890 119.914 0.226 0.000 2.343 404 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 404 V C 2.441 178.652 176.094 0.195 0.000 1.051 404 V CA 1.964 64.402 62.300 0.231 0.000 1.036 404 V CB -0.755 31.301 31.823 0.389 0.000 0.654 404 V HN 0.425 nan 8.190 nan 0.000 0.451 405 A N -0.906 122.038 122.820 0.207 0.000 1.902 405 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 405 A C 2.167 179.846 177.584 0.158 0.000 1.181 405 A CA 1.978 54.116 52.037 0.169 0.000 0.623 405 A CB -0.757 18.339 19.000 0.160 0.000 0.818 405 A HN 0.612 nan 8.150 nan 0.000 0.443 406 Y N 0.771 121.110 120.300 0.065 0.000 2.097 406 Y HA -0.158 4.392 4.550 0.000 0.000 0.282 406 Y C 2.704 178.630 175.900 0.043 0.000 1.152 406 Y CA 1.373 59.503 58.100 0.049 0.000 1.136 406 Y CB -0.767 37.719 38.460 0.043 0.000 0.975 406 Y HN 0.312 nan 8.280 nan 0.000 0.498 407 A N -0.300 122.533 122.820 0.023 0.000 1.892 407 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 407 A C 2.299 179.827 177.584 -0.093 0.000 1.188 407 A CA 3.092 55.089 52.037 -0.067 0.000 0.631 407 A CB -1.613 17.408 19.000 0.036 0.000 0.822 407 A HN 0.629 nan 8.150 nan 0.000 0.447 408 T N -1.212 113.326 114.554 -0.027 0.000 2.746 408 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 408 T C 1.840 176.509 174.700 -0.052 0.000 1.039 408 T CA 1.601 63.687 62.100 -0.023 0.000 1.142 408 T CB -0.319 68.560 68.868 0.019 0.000 0.866 408 T HN 0.551 nan 8.240 nan 0.000 0.444 409 K N 0.824 121.182 120.400 -0.070 0.000 2.002 409 K HA -0.021 4.299 4.320 -0.000 0.000 0.209 409 K C 2.666 179.184 176.600 -0.137 0.000 1.048 409 K CA 1.017 57.256 56.287 -0.080 0.000 0.930 409 K CB -0.102 32.363 32.500 -0.057 0.000 0.714 409 K HN 0.123 nan 8.250 nan 0.000 0.438 410 K N 0.922 121.159 120.400 -0.272 0.000 2.152 410 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 410 K C 2.153 178.664 176.600 -0.149 0.000 1.048 410 K CA 1.230 57.354 56.287 -0.272 0.000 0.933 410 K CB -0.102 32.110 32.500 -0.480 0.000 0.721 410 K HN 0.167 nan 8.250 nan 0.000 0.447 411 R N -0.507 119.920 120.500 -0.122 0.000 2.055 411 R HA -0.014 4.326 4.340 -0.000 0.000 0.228 411 R C 0.951 177.221 176.300 -0.050 0.000 1.143 411 R CA 1.021 57.079 56.100 -0.071 0.000 0.945 411 R CB -0.082 30.185 30.300 -0.055 0.000 0.841 411 R HN 0.340 nan 8.270 nan 0.000 0.429 412 G N 0.000 108.773 108.800 -0.044 0.000 5.446 412 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 412 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 412 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925