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 3czh_1_B DATA FIRST_RESID 39 DATA SEQUENCE FPPGPPGLPF IGNIYSLAAS SELPHVYMRK QSQVYGEIFS LDLGGISTVV DATA SEQUENCE LNGYDVVKEC LVHQSEIFAD RPCLPLFMKM TKMGGLLNSR YGRGWVDHRR DATA SEQUENCE LAVNSFRYFG YGQKSFESKI LEETKFFNDA IETYKGRPFD FKQLITNAVS DATA SEQUENCE NITNLIIFGE RFTYEDTDFQ HMIELFSENV ELAASASVFL YNAFPWIGIL DATA SEQUENCE PFGKHQQLFR NAAVVYDFLS RLIEKASVNR KPQLPQHFVD AYLDEMDQGK DATA SEQUENCE NDPSSTFSKE NLIFSVGELI IAGTETTTNV LRWAILFMAL YPNIQGQVQK DATA SEQUENCE EIDLIMGPNG KPSWDDKCKM PYTEAVLHEV LRFCNIVPLG IFHATSEDAV DATA SEQUENCE VRGYSIPKGT TVITNLYSVH FDEKYWRDPE VFHPERFLDS SGYFAKKEAL DATA SEQUENCE VPFSLGRRHC LGEHLARMEM FLFFTALLQR FHLHFPHELV PDLKPRLGMT DATA SEQUENCE LQPQPYLICA ERRHHHH 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 39 F HA 0.000 nan 4.527 nan 0.000 0.279 39 F C 0.000 175.769 175.800 -0.052 0.000 0.967 39 F CA 0.000 58.033 58.000 0.056 0.000 1.383 39 F CB 0.000 39.007 39.000 0.011 0.000 1.145 40 P HA 0.231 nan 4.420 nan 0.000 0.267 40 P C -2.660 174.384 177.300 -0.427 0.000 1.200 40 P CA -0.705 61.782 63.100 -1.022 0.000 0.772 40 P CB -0.168 30.900 31.700 -1.053 0.000 0.855 41 P HA 0.451 nan 4.420 nan 0.000 0.278 41 P C -0.326 176.841 177.300 -0.221 0.000 1.266 41 P CA -0.092 62.963 63.100 -0.076 0.000 0.807 41 P CB 1.361 33.126 31.700 0.108 0.000 1.094 42 G N -0.531 107.997 108.800 -0.453 0.000 2.550 42 G HA2 0.489 4.456 3.960 0.011 0.000 0.293 42 G HA3 0.489 4.456 3.960 0.011 0.000 0.293 42 G C -3.241 171.087 174.900 -0.953 0.000 1.402 42 G CA -0.988 43.567 45.100 -0.909 0.000 0.784 42 G HN 0.352 nan 8.290 nan 0.000 0.482 43 P HA 0.278 nan 4.420 nan 0.000 0.271 43 P C -2.532 174.720 177.300 -0.080 0.000 1.216 43 P CA -0.905 62.033 63.100 -0.269 0.000 0.771 43 P CB 0.597 32.227 31.700 -0.117 0.000 0.864 44 P HA 0.185 nan 4.420 nan 0.000 0.276 44 P C 0.236 177.553 177.300 0.028 0.000 1.230 44 P CA 0.300 63.409 63.100 0.016 0.000 0.776 44 P CB 0.937 32.657 31.700 0.033 0.000 0.888 45 G N 2.151 110.963 108.800 0.020 0.000 3.119 45 G HA2 0.588 4.555 3.960 0.011 0.000 0.206 45 G HA3 0.588 4.555 3.960 0.011 0.000 0.206 45 G C -0.687 174.216 174.900 0.004 0.000 1.313 45 G CA -0.945 44.172 45.100 0.028 0.000 1.010 45 G HN 0.414 nan 8.290 nan 0.000 0.578 46 L N 1.847 123.074 121.223 0.007 0.000 2.399 46 L HA 0.343 4.690 4.340 0.011 0.000 0.266 46 L C -1.719 175.101 176.870 -0.083 0.000 1.114 46 L CA -1.656 53.166 54.840 -0.030 0.000 0.804 46 L CB 1.445 43.502 42.059 -0.004 0.000 1.146 46 L HN 0.287 nan 8.230 nan 0.000 0.451 47 P HA 0.045 nan 4.420 nan 0.000 0.267 47 P C 0.145 177.210 177.300 -0.390 0.000 1.200 47 P CA 0.255 63.050 63.100 -0.508 0.000 0.772 47 P CB 0.463 31.601 31.700 -0.937 0.000 0.855 48 F N -0.782 119.238 119.950 0.117 0.000 2.542 48 F HA -0.366 4.167 4.527 0.010 0.000 0.713 48 F C 1.934 177.926 175.800 0.320 0.000 0.486 48 F CA 1.229 59.352 58.000 0.204 0.000 0.763 48 F CB -1.729 37.338 39.000 0.111 0.000 1.628 48 F HN 0.321 nan 8.300 nan 0.000 0.270 49 I N -0.163 120.665 120.570 0.430 0.000 3.059 49 I HA 0.476 4.652 4.170 0.011 0.000 0.270 49 I C 1.686 177.930 176.117 0.212 0.000 1.238 49 I CA 0.985 62.507 61.300 0.371 0.000 1.478 49 I CB -0.706 37.499 38.000 0.342 0.000 1.097 49 I HN 0.677 nan 8.210 nan 0.000 0.455 50 G N 3.064 111.949 108.800 0.142 0.000 2.611 50 G HA2 -0.414 3.553 3.960 0.011 0.000 0.301 50 G HA3 -0.414 3.553 3.960 0.011 0.000 0.301 50 G C 0.246 175.184 174.900 0.064 0.000 1.233 50 G CA 0.887 46.032 45.100 0.076 0.000 0.993 50 G HN 0.588 nan 8.290 nan 0.000 0.553 51 N N 0.763 119.482 118.700 0.032 0.000 2.398 51 N HA 0.332 5.079 4.740 0.011 0.000 0.188 51 N C 2.149 177.594 175.510 -0.109 0.000 1.122 51 N CA 0.444 53.495 53.050 0.002 0.000 0.866 51 N CB 0.152 38.667 38.487 0.046 0.000 0.970 51 N HN 0.521 nan 8.380 nan 0.000 0.462 52 I N 0.128 120.644 120.570 -0.089 0.000 2.113 52 I HA -0.387 3.790 4.170 0.011 0.000 0.242 52 I C 1.299 177.184 176.117 -0.386 0.000 1.057 52 I CA 1.670 62.810 61.300 -0.266 0.000 1.314 52 I CB -0.227 37.704 38.000 -0.115 0.000 1.022 52 I HN 0.250 nan 8.210 nan 0.000 0.408 53 Y N 0.040 120.246 120.300 -0.157 0.000 2.395 53 Y HA -0.096 4.460 4.550 0.011 0.000 0.293 53 Y C 2.765 178.544 175.900 -0.202 0.000 1.123 53 Y CA 0.943 58.960 58.100 -0.138 0.000 1.227 53 Y CB -0.305 38.118 38.460 -0.060 0.000 1.012 53 Y HN 0.081 nan 8.280 nan 0.000 0.552 54 S N -0.086 115.518 115.700 -0.159 0.000 2.387 54 S HA -0.125 4.352 4.470 0.011 0.000 0.226 54 S C 1.939 176.065 174.600 -0.790 0.000 1.026 54 S CA 0.919 58.922 58.200 -0.329 0.000 0.972 54 S CB -0.498 62.581 63.200 -0.203 0.000 0.814 54 S HN 0.325 nan 8.310 nan 0.000 0.477 55 L N 1.880 122.565 121.223 -0.896 0.000 1.961 55 L HA 0.067 4.413 4.340 0.011 0.000 0.210 55 L C 2.116 178.659 176.870 -0.545 0.000 1.072 55 L CA 2.213 56.503 54.840 -0.917 0.000 0.749 55 L CB -0.835 40.808 42.059 -0.693 0.000 0.889 55 L HN 0.245 nan 8.230 nan 0.000 0.432 56 A N -1.983 120.541 122.820 -0.493 0.000 2.267 56 A HA 0.597 4.923 4.320 0.011 0.000 0.213 56 A C 1.710 179.166 177.584 -0.214 0.000 1.192 56 A CA 0.594 52.442 52.037 -0.316 0.000 0.851 56 A CB -0.334 18.477 19.000 -0.315 0.000 0.881 56 A HN 0.511 nan 8.150 nan 0.000 0.494 57 A N -0.167 122.522 122.820 -0.217 0.000 2.585 57 A HA 0.498 4.825 4.320 0.011 0.000 0.266 57 A C 1.018 178.578 177.584 -0.040 0.000 1.178 57 A CA 0.636 52.619 52.037 -0.091 0.000 0.966 57 A CB -0.292 18.700 19.000 -0.014 0.000 1.170 57 A HN 0.534 nan 8.150 nan 0.000 0.558 58 S N -0.352 115.297 115.700 -0.085 0.000 2.694 58 S HA 0.425 4.902 4.470 0.011 0.000 0.278 58 S C 1.326 175.899 174.600 -0.045 0.000 1.152 58 S CA 0.288 58.456 58.200 -0.053 0.000 1.010 58 S CB 0.894 64.054 63.200 -0.068 0.000 1.104 58 S HN 0.624 nan 8.310 nan 0.000 0.547 59 S N -0.532 115.151 115.700 -0.028 0.000 2.387 59 S HA 0.143 4.619 4.470 0.011 0.000 0.226 59 S C 0.973 175.548 174.600 -0.042 0.000 1.026 59 S CA 0.621 58.806 58.200 -0.025 0.000 0.972 59 S CB -1.425 61.768 63.200 -0.012 0.000 0.814 59 S HN 1.191 nan 8.310 nan 0.000 0.477 60 E N 2.204 122.377 120.200 -0.045 0.000 2.324 60 E HA 0.517 4.873 4.350 0.011 0.000 0.271 60 E C -0.088 176.436 176.600 -0.126 0.000 1.028 60 E CA -0.371 55.985 56.400 -0.073 0.000 0.890 60 E CB -0.269 29.416 29.700 -0.025 0.000 1.004 60 E HN 0.521 nan 8.360 nan 0.000 0.431 61 L N 3.660 124.754 121.223 -0.214 0.000 2.467 61 L HA 0.151 4.498 4.340 0.011 0.000 0.270 61 L C -1.211 175.457 176.870 -0.338 0.000 1.205 61 L CA -1.431 53.245 54.840 -0.274 0.000 0.828 61 L CB 0.941 42.803 42.059 -0.328 0.000 1.101 61 L HN 0.471 nan 8.230 nan 0.000 0.479 62 P HA -0.249 nan 4.420 nan 0.000 0.217 62 P C 1.407 178.688 177.300 -0.032 0.000 1.162 62 P CA 1.750 64.810 63.100 -0.067 0.000 0.901 62 P CB -0.225 31.504 31.700 0.048 0.000 0.793 63 H N -1.588 117.453 119.070 -0.049 0.000 2.421 63 H HA -0.025 4.537 4.556 0.011 0.000 0.298 63 H C 1.689 176.927 175.328 -0.151 0.000 1.087 63 H CA 1.191 57.177 56.048 -0.104 0.000 1.330 63 H CB -1.395 28.192 29.762 -0.291 0.000 1.388 63 H HN -0.002 nan 8.280 nan 0.000 0.526 64 V N 1.221 120.729 119.914 -0.676 0.000 2.379 64 V HA -0.242 3.885 4.120 0.011 0.000 0.245 64 V C 2.573 178.625 176.094 -0.071 0.000 1.044 64 V CA 1.698 63.784 62.300 -0.357 0.000 1.036 64 V CB -1.111 30.447 31.823 -0.443 0.000 0.664 64 V HN 0.382 nan 8.190 nan 0.000 0.453 65 Y N 0.644 120.839 120.300 -0.174 0.000 2.165 65 Y HA -0.293 4.264 4.550 0.011 0.000 0.286 65 Y C 2.424 178.319 175.900 -0.008 0.000 1.155 65 Y CA 2.079 60.129 58.100 -0.084 0.000 1.164 65 Y CB -0.266 38.139 38.460 -0.092 0.000 0.978 65 Y HN 0.161 nan 8.280 nan 0.000 0.513 66 M N -0.317 119.357 119.600 0.124 0.000 2.229 66 M HA -0.156 4.330 4.480 0.011 0.000 0.264 66 M C 2.399 178.793 176.300 0.157 0.000 1.063 66 M CA 1.708 57.129 55.300 0.202 0.000 1.114 66 M CB -0.259 32.554 32.600 0.354 0.000 1.387 66 M HN 0.219 nan 8.290 nan 0.000 0.420 67 R N 0.826 121.406 120.500 0.134 0.000 2.119 67 R HA -0.071 4.276 4.340 0.011 0.000 0.222 67 R C 1.890 178.203 176.300 0.022 0.000 1.088 67 R CA 1.134 57.320 56.100 0.143 0.000 0.984 67 R CB 0.127 30.578 30.300 0.251 0.000 0.884 67 R HN 0.260 nan 8.270 nan 0.000 0.447 68 K N -0.104 120.261 120.400 -0.058 0.000 2.148 68 K HA -0.113 4.214 4.320 0.011 0.000 0.204 68 K C 2.021 178.490 176.600 -0.218 0.000 1.050 68 K CA 1.012 57.228 56.287 -0.118 0.000 0.942 68 K CB 0.103 32.532 32.500 -0.119 0.000 0.724 68 K HN 0.210 nan 8.250 nan 0.000 0.446 69 Q N 0.060 119.629 119.800 -0.385 0.000 2.311 69 Q HA -0.049 4.297 4.340 0.011 0.000 0.203 69 Q C 2.131 177.815 176.000 -0.526 0.000 0.954 69 Q CA 1.280 56.741 55.803 -0.570 0.000 0.885 69 Q CB 0.177 28.245 28.738 -1.116 0.000 0.963 69 Q HN 0.340 nan 8.270 nan 0.000 0.471 70 S N -0.025 115.510 115.700 -0.275 0.000 2.428 70 S HA -0.123 4.354 4.470 0.011 0.000 0.230 70 S C 1.786 176.377 174.600 -0.015 0.000 1.014 70 S CA 0.631 58.831 58.200 -0.001 0.000 0.957 70 S CB -0.046 63.269 63.200 0.191 0.000 0.784 70 S HN 0.292 nan 8.310 nan 0.000 0.499 71 Q N 0.420 120.185 119.800 -0.059 0.000 2.224 71 Q HA 0.059 4.406 4.340 0.011 0.000 0.203 71 Q C 2.065 177.997 176.000 -0.112 0.000 0.970 71 Q CA 1.368 57.137 55.803 -0.056 0.000 0.865 71 Q CB -0.146 28.563 28.738 -0.047 0.000 0.922 71 Q HN 0.533 nan 8.270 nan 0.000 0.445 72 V N -1.262 118.536 119.914 -0.193 0.000 2.492 72 V HA -0.119 4.008 4.120 0.011 0.000 0.241 72 V C 1.004 176.836 176.094 -0.437 0.000 1.041 72 V CA 1.309 63.390 62.300 -0.364 0.000 1.057 72 V CB -0.190 31.309 31.823 -0.540 0.000 0.711 72 V HN 0.303 nan 8.190 nan 0.000 0.468 73 Y N 0.432 120.631 120.300 -0.169 0.000 2.449 73 Y HA 0.557 5.114 4.550 0.012 0.000 0.254 73 Y C 1.310 177.207 175.900 -0.004 0.000 1.140 73 Y CA 0.537 58.576 58.100 -0.101 0.000 1.272 73 Y CB 0.507 38.865 38.460 -0.169 0.000 1.114 73 Y HN 0.368 nan 8.280 nan 0.000 0.525 74 G N 0.510 109.381 108.800 0.120 0.000 2.549 74 G HA2 -0.211 3.756 3.960 0.011 0.000 0.404 74 G HA3 -0.211 3.756 3.960 0.011 0.000 0.404 74 G C 0.265 175.282 174.900 0.195 0.000 1.292 74 G CA -0.230 44.953 45.100 0.139 0.000 0.935 74 G HN 0.207 nan 8.290 nan 0.000 0.512 75 E N -0.895 119.399 120.200 0.155 0.000 2.110 75 E HA -0.010 4.347 4.350 0.011 0.000 0.193 75 E C 1.379 178.045 176.600 0.109 0.000 0.988 75 E CA 1.266 57.747 56.400 0.134 0.000 0.804 75 E CB 0.413 30.169 29.700 0.093 0.000 0.745 75 E HN 0.487 nan 8.360 nan 0.000 0.458 76 I N 0.846 121.471 120.570 0.092 0.000 2.389 76 I HA 0.287 4.464 4.170 0.011 0.000 0.288 76 I C -1.136 174.945 176.117 -0.060 0.000 0.999 76 I CA -0.933 60.343 61.300 -0.041 0.000 1.129 76 I CB 0.506 38.469 38.000 -0.061 0.000 1.288 76 I HN -0.149 nan 8.210 nan 0.000 0.444 77 F N 5.023 124.847 119.950 -0.211 0.000 2.650 77 F HA 0.817 5.352 4.527 0.012 0.000 0.320 77 F C -0.947 174.670 175.800 -0.305 0.000 1.091 77 F CA -0.797 57.037 58.000 -0.277 0.000 0.962 77 F CB 1.061 39.954 39.000 -0.178 0.000 1.363 77 F HN 0.381 nan 8.300 nan 0.000 0.482 78 S N 1.540 117.175 115.700 -0.109 0.000 2.621 78 S HA 0.865 5.342 4.470 0.011 0.000 0.302 78 S C -1.250 173.383 174.600 0.056 0.000 1.093 78 S CA -0.732 57.383 58.200 -0.142 0.000 1.017 78 S CB 1.744 64.896 63.200 -0.081 0.000 1.077 78 S HN 0.839 nan 8.310 nan 0.000 0.517 79 L N 1.070 122.313 121.223 0.032 0.000 2.370 79 L HA 0.546 4.893 4.340 0.011 0.000 0.266 79 L C -1.318 175.587 176.870 0.058 0.000 1.002 79 L CA -0.766 54.117 54.840 0.071 0.000 0.818 79 L CB 2.225 44.321 42.059 0.062 0.000 1.325 79 L HN 0.795 nan 8.230 nan 0.000 0.418 80 D N 2.619 123.046 120.400 0.045 0.000 2.427 80 D HA 0.355 5.002 4.640 0.011 0.000 0.226 80 D C -0.822 175.484 176.300 0.010 0.000 1.076 80 D CA -0.167 53.851 54.000 0.030 0.000 0.849 80 D CB 0.828 41.647 40.800 0.032 0.000 1.052 80 D HN 0.295 nan 8.370 nan 0.000 0.515 81 L N 4.398 125.617 121.223 -0.005 0.000 2.475 81 L HA 0.415 4.762 4.340 0.011 0.000 0.253 81 L C 1.324 178.157 176.870 -0.061 0.000 1.137 81 L CA -0.726 54.103 54.840 -0.019 0.000 1.058 81 L CB 0.613 42.692 42.059 0.033 0.000 1.382 81 L HN 0.805 nan 8.230 nan 0.000 0.416 82 G N 1.092 109.869 108.800 -0.037 0.000 2.283 82 G HA2 -0.198 3.769 3.960 0.011 0.000 0.280 82 G HA3 -0.198 3.769 3.960 0.011 0.000 0.280 82 G C 0.928 175.723 174.900 -0.176 0.000 1.029 82 G CA 0.598 45.630 45.100 -0.114 0.000 0.840 82 G HN 1.037 nan 8.290 nan 0.000 0.505 83 G N -1.678 107.097 108.800 -0.041 0.000 2.218 83 G HA2 -0.198 3.769 3.960 0.011 0.000 0.216 83 G HA3 -0.198 3.769 3.960 0.011 0.000 0.216 83 G C 0.363 175.230 174.900 -0.055 0.000 0.994 83 G CA 0.062 45.151 45.100 -0.018 0.000 0.637 83 G HN 1.256 nan 8.290 nan 0.000 0.505 84 I N 2.375 122.898 120.570 -0.078 0.000 2.337 84 I HA 0.547 4.724 4.170 0.011 0.000 0.291 84 I C 1.146 177.249 176.117 -0.024 0.000 1.046 84 I CA 0.358 61.623 61.300 -0.058 0.000 1.324 84 I CB 1.328 39.290 38.000 -0.063 0.000 1.409 84 I HN 0.313 nan 8.210 nan 0.000 0.494 85 S N 5.253 120.937 115.700 -0.027 0.000 2.465 85 S HA 0.462 4.938 4.470 0.011 0.000 0.280 85 S C 0.311 174.972 174.600 0.102 0.000 1.232 85 S CA -0.100 58.110 58.200 0.017 0.000 1.066 85 S CB 0.022 63.146 63.200 -0.127 0.000 0.929 85 S HN 0.620 nan 8.310 nan 0.000 0.494 86 T N 2.813 117.440 114.554 0.121 0.000 2.881 86 T HA 0.617 4.973 4.350 0.011 0.000 0.290 86 T C -0.022 174.650 174.700 -0.045 0.000 1.000 86 T CA -0.533 61.577 62.100 0.017 0.000 0.978 86 T CB 1.182 70.012 68.868 -0.064 0.000 0.997 86 T HN 0.924 nan 8.240 nan 0.000 0.443 87 V N 0.753 120.586 119.914 -0.134 0.000 2.547 87 V HA 0.873 5.000 4.120 0.011 0.000 0.299 87 V C -0.377 175.488 176.094 -0.381 0.000 1.040 87 V CA -0.862 61.252 62.300 -0.310 0.000 0.913 87 V CB 1.472 33.112 31.823 -0.306 0.000 0.992 87 V HN 0.637 nan 8.190 nan 0.000 0.449 88 V N 5.627 125.153 119.914 -0.646 0.000 2.370 88 V HA 0.445 4.571 4.120 0.011 0.000 0.283 88 V C 0.025 175.836 176.094 -0.471 0.000 1.023 88 V CA -0.478 61.437 62.300 -0.643 0.000 0.857 88 V CB 1.209 32.399 31.823 -1.056 0.000 0.985 88 V HN 0.808 nan 8.190 nan 0.000 0.443 89 L N 5.770 126.842 121.223 -0.251 0.000 2.276 89 L HA 0.541 4.888 4.340 0.011 0.000 0.286 89 L C 0.117 176.943 176.870 -0.074 0.000 1.061 89 L CA -0.090 54.655 54.840 -0.159 0.000 0.807 89 L CB 0.473 42.432 42.059 -0.165 0.000 1.177 89 L HN 0.642 nan 8.230 nan 0.000 0.429 90 N N 2.442 121.136 118.700 -0.009 0.000 2.238 90 N HA 0.603 5.350 4.740 0.011 0.000 0.302 90 N C -0.121 175.437 175.510 0.079 0.000 1.072 90 N CA -0.223 52.868 53.050 0.069 0.000 0.792 90 N CB 2.522 41.100 38.487 0.152 0.000 1.425 90 N HN 0.771 nan 8.380 nan 0.000 0.478 91 G N 0.518 109.383 108.800 0.108 0.000 2.755 91 G HA2 -0.332 3.635 3.960 0.011 0.000 0.686 91 G HA3 -0.332 3.635 3.960 0.011 0.000 0.686 91 G C 0.167 175.158 174.900 0.152 0.000 1.427 91 G CA -0.142 45.054 45.100 0.161 0.000 0.873 91 G HN 0.648 nan 8.290 nan 0.000 0.580 92 Y N 0.771 121.111 120.300 0.067 0.000 2.181 92 Y HA -0.102 4.456 4.550 0.012 0.000 0.288 92 Y C 2.540 178.416 175.900 -0.039 0.000 1.146 92 Y CA 2.710 60.780 58.100 -0.050 0.000 1.164 92 Y CB -0.074 38.206 38.460 -0.301 0.000 0.982 92 Y HN 0.591 nan 8.280 nan 0.000 0.515 93 D N -0.539 119.836 120.400 -0.042 0.000 2.097 93 D HA -0.165 4.482 4.640 0.011 0.000 0.195 93 D C 2.349 178.548 176.300 -0.169 0.000 0.989 93 D CA 1.986 55.913 54.000 -0.121 0.000 0.827 93 D CB -0.520 40.324 40.800 0.073 0.000 0.966 93 D HN 0.349 nan 8.370 nan 0.000 0.456 94 V N 0.915 120.766 119.914 -0.104 0.000 2.488 94 V HA -0.140 3.987 4.120 0.011 0.000 0.246 94 V C 2.727 178.690 176.094 -0.219 0.000 1.046 94 V CA 0.699 62.923 62.300 -0.127 0.000 1.053 94 V CB -0.474 31.307 31.823 -0.069 0.000 0.679 94 V HN 0.016 nan 8.190 nan 0.000 0.458 95 V N 0.372 120.160 119.914 -0.212 0.000 2.332 95 V HA -0.316 3.811 4.120 0.011 0.000 0.248 95 V C 2.475 178.367 176.094 -0.337 0.000 1.055 95 V CA 2.512 64.663 62.300 -0.248 0.000 1.038 95 V CB -0.687 31.048 31.823 -0.147 0.000 0.651 95 V HN 0.569 nan 8.190 nan 0.000 0.450 96 K N 0.211 120.348 120.400 -0.438 0.000 2.002 96 K HA -0.274 4.053 4.320 0.011 0.000 0.209 96 K C 2.236 178.583 176.600 -0.422 0.000 1.048 96 K CA 1.954 57.933 56.287 -0.514 0.000 0.930 96 K CB -0.204 31.829 32.500 -0.778 0.000 0.714 96 K HN 0.422 nan 8.250 nan 0.000 0.438 97 E N 0.796 120.848 120.200 -0.247 0.000 2.086 97 E HA -0.233 4.124 4.350 0.011 0.000 0.200 97 E C 1.755 178.222 176.600 -0.222 0.000 1.012 97 E CA 2.269 58.636 56.400 -0.055 0.000 0.812 97 E CB -0.616 29.044 29.700 -0.067 0.000 0.743 97 E HN 0.455 nan 8.360 nan 0.000 0.453 98 C N -0.409 118.617 119.300 -0.456 0.000 2.518 98 C HA 0.140 4.607 4.460 0.011 0.000 0.279 98 C C 2.731 177.351 174.990 -0.616 0.000 1.279 98 C CA 0.409 58.906 59.018 -0.869 0.000 1.703 98 C CB -1.000 25.887 27.740 -1.423 0.000 2.072 98 C HN 0.437 nan 8.230 nan 0.000 0.487 99 L N 0.325 121.270 121.223 -0.462 0.000 2.179 99 L HA -0.026 4.320 4.340 0.011 0.000 0.208 99 L C 2.306 179.050 176.870 -0.209 0.000 1.096 99 L CA 1.046 55.705 54.840 -0.301 0.000 0.779 99 L CB -0.463 41.430 42.059 -0.277 0.000 0.922 99 L HN 0.246 nan 8.230 nan 0.000 0.443 100 V N -1.406 118.335 119.914 -0.289 0.000 2.599 100 V HA -0.113 4.014 4.120 0.011 0.000 0.237 100 V C 2.062 178.018 176.094 -0.229 0.000 1.081 100 V CA 0.955 63.081 62.300 -0.291 0.000 1.107 100 V CB -0.430 31.120 31.823 -0.455 0.000 0.808 100 V HN 0.351 nan 8.190 nan 0.000 0.486 101 H N 0.125 119.140 119.070 -0.092 0.000 2.436 101 H HA 0.051 4.614 4.556 0.010 0.000 0.294 101 H C 1.315 176.627 175.328 -0.026 0.000 1.048 101 H CA 0.951 56.965 56.048 -0.057 0.000 1.353 101 H CB 0.238 29.957 29.762 -0.072 0.000 1.414 101 H HN 0.411 nan 8.280 nan 0.000 0.536 102 Q N 0.825 120.661 119.800 0.059 0.000 2.241 102 Q HA 0.091 4.438 4.340 0.011 0.000 0.296 102 Q C 1.239 177.322 176.000 0.138 0.000 0.889 102 Q CA 0.068 55.946 55.803 0.125 0.000 1.089 102 Q CB 0.944 29.814 28.738 0.221 0.000 1.195 102 Q HN 0.428 nan 8.270 nan 0.000 0.451 103 S N 0.286 116.007 115.700 0.036 0.000 2.407 103 S HA -0.230 4.247 4.470 0.011 0.000 0.235 103 S C 1.524 176.087 174.600 -0.062 0.000 1.036 103 S CA 1.195 59.389 58.200 -0.011 0.000 1.013 103 S CB 0.007 63.198 63.200 -0.014 0.000 0.820 103 S HN 0.322 nan 8.310 nan 0.000 0.476 104 E N 1.239 121.428 120.200 -0.019 0.000 2.216 104 E HA 0.156 4.513 4.350 0.011 0.000 0.192 104 E C 2.039 178.577 176.600 -0.103 0.000 0.988 104 E CA 0.688 57.049 56.400 -0.064 0.000 0.834 104 E CB -0.390 29.351 29.700 0.068 0.000 0.772 104 E HN 0.681 nan 8.360 nan 0.000 0.479 105 I N -0.589 119.967 120.570 -0.024 0.000 2.400 105 I HA -0.122 4.054 4.170 0.011 0.000 0.248 105 I C 1.300 177.250 176.117 -0.278 0.000 1.109 105 I CA 0.687 61.913 61.300 -0.125 0.000 1.425 105 I CB -0.083 37.850 38.000 -0.113 0.000 1.094 105 I HN -0.086 nan 8.210 nan 0.000 0.425 106 F N 0.778 120.638 119.950 -0.150 0.000 2.692 106 F HA 0.277 4.813 4.527 0.016 0.000 0.303 106 F C 2.006 177.725 175.800 -0.136 0.000 1.114 106 F CA 0.005 57.921 58.000 -0.139 0.000 1.361 106 F CB -0.261 38.636 39.000 -0.171 0.000 1.063 106 F HN -0.063 nan 8.300 nan 0.000 0.550 107 A N -1.324 121.358 122.820 -0.229 0.000 2.251 107 A HA 0.029 4.355 4.320 0.011 0.000 0.209 107 A C 0.837 178.194 177.584 -0.379 0.000 1.187 107 A CA 0.151 51.917 52.037 -0.452 0.000 0.823 107 A CB -0.369 17.851 19.000 -1.300 0.000 0.846 107 A HN 0.117 nan 8.150 nan 0.000 0.486 108 D N 0.018 120.308 120.400 -0.183 0.000 2.432 108 D HA 0.377 5.023 4.640 0.011 0.000 0.258 108 D C -0.083 176.181 176.300 -0.059 0.000 1.146 108 D CA -0.227 53.720 54.000 -0.088 0.000 1.015 108 D CB 0.680 41.454 40.800 -0.043 0.000 1.107 108 D HN -0.018 nan 8.370 nan 0.000 0.529 109 R N 1.030 121.509 120.500 -0.036 0.000 2.637 109 R HA 0.451 4.797 4.340 0.011 0.000 0.291 109 R C -2.236 174.109 176.300 0.076 0.000 0.963 109 R CA -1.937 54.159 56.100 -0.007 0.000 0.901 109 R CB 1.359 31.627 30.300 -0.053 0.000 1.160 109 R HN 0.344 nan 8.270 nan 0.000 0.457 110 P HA 0.138 nan 4.420 nan 0.000 0.276 110 P C -0.215 177.206 177.300 0.202 0.000 1.230 110 P CA -0.309 62.892 63.100 0.168 0.000 0.776 110 P CB 0.603 32.434 31.700 0.218 0.000 0.888 111 C N 4.943 124.309 119.300 0.111 0.000 3.247 111 C HA 0.196 4.662 4.460 0.011 0.000 0.573 111 C C 1.194 176.202 174.990 0.030 0.000 1.106 111 C CA -0.369 58.703 59.018 0.089 0.000 1.209 111 C CB -2.490 25.279 27.740 0.047 0.000 1.460 111 C HN 0.419 nan 8.230 nan 0.000 0.634 112 L N 2.445 123.665 121.223 -0.006 0.000 2.397 112 L HA 0.191 4.538 4.340 0.011 0.000 0.271 112 L C -1.079 175.685 176.870 -0.177 0.000 1.148 112 L CA -1.328 53.396 54.840 -0.193 0.000 0.825 112 L CB 0.441 42.212 42.059 -0.481 0.000 1.117 112 L HN 0.129 nan 8.230 nan 0.000 0.456 113 P HA -0.228 nan 4.420 nan 0.000 0.217 113 P C 1.574 178.905 177.300 0.052 0.000 1.151 113 P CA 0.988 64.047 63.100 -0.070 0.000 0.849 113 P CB 0.206 31.791 31.700 -0.192 0.000 0.787 114 L N -1.357 119.867 121.223 0.002 0.000 2.012 114 L HA -0.144 4.202 4.340 0.011 0.000 0.210 114 L C 2.272 179.187 176.870 0.075 0.000 1.073 114 L CA 1.875 56.738 54.840 0.038 0.000 0.748 114 L CB -1.251 40.724 42.059 -0.140 0.000 0.891 114 L HN -0.085 nan 8.230 nan 0.000 0.431 115 F N -1.903 118.045 119.950 -0.004 0.000 2.186 115 F HA -0.236 4.296 4.527 0.009 0.000 0.299 115 F C 2.443 178.196 175.800 -0.079 0.000 1.090 115 F CA 0.691 58.658 58.000 -0.055 0.000 1.307 115 F CB -0.342 38.627 39.000 -0.052 0.000 1.019 115 F HN 0.183 nan 8.300 nan 0.000 0.489 116 M N 1.201 120.874 119.600 0.121 0.000 2.108 116 M HA -0.218 4.268 4.480 0.011 0.000 0.261 116 M C 2.111 178.405 176.300 -0.010 0.000 1.066 116 M CA 1.797 57.120 55.300 0.039 0.000 1.107 116 M CB -0.388 32.226 32.600 0.023 0.000 1.356 116 M HN -0.064 nan 8.290 nan 0.000 0.406 117 K N -1.016 119.378 120.400 -0.010 0.000 2.103 117 K HA -0.116 4.211 4.320 0.011 0.000 0.204 117 K C 1.755 178.294 176.600 -0.102 0.000 1.052 117 K CA 1.218 57.464 56.287 -0.069 0.000 0.945 117 K CB 0.076 32.510 32.500 -0.109 0.000 0.722 117 K HN 0.269 nan 8.250 nan 0.000 0.443 118 M N 0.187 119.743 119.600 -0.074 0.000 2.134 118 M HA -0.052 4.435 4.480 0.011 0.000 0.262 118 M C 1.940 177.952 176.300 -0.480 0.000 1.076 118 M CA 1.868 57.082 55.300 -0.142 0.000 1.143 118 M CB -0.488 32.096 32.600 -0.026 0.000 1.346 118 M HN 0.322 nan 8.290 nan 0.000 0.421 119 T N -4.282 109.947 114.554 -0.541 0.000 3.087 119 T HA 0.266 4.623 4.350 0.011 0.000 0.283 119 T C 0.373 174.832 174.700 -0.401 0.000 0.956 119 T CA -0.315 61.157 62.100 -1.047 0.000 0.894 119 T CB 0.225 68.594 68.868 -0.831 0.000 1.160 119 T HN 0.364 nan 8.240 nan 0.000 0.532 120 K N 2.440 122.742 120.400 -0.163 0.000 3.069 120 K HA -0.171 4.156 4.320 0.011 0.000 0.267 120 K C 0.159 176.760 176.600 0.001 0.000 1.082 120 K CA 0.531 56.803 56.287 -0.024 0.000 0.782 120 K CB -1.684 30.844 32.500 0.046 0.000 1.230 120 K HN 0.374 nan 8.250 nan 0.000 0.488 121 M N -3.132 116.458 119.600 -0.016 0.000 2.612 121 M HA -0.219 4.268 4.480 0.011 0.000 0.194 121 M C 0.826 177.135 176.300 0.015 0.000 0.530 121 M CA 1.780 57.083 55.300 0.005 0.000 0.548 121 M CB -2.792 29.831 32.600 0.039 0.000 2.013 121 M HN 0.566 nan 8.290 nan 0.000 0.711 122 G N -0.975 107.832 108.800 0.011 0.000 2.773 122 G HA2 0.701 4.667 3.960 0.011 0.000 0.186 122 G HA3 0.701 4.667 3.960 0.011 0.000 0.186 122 G C 0.886 175.792 174.900 0.010 0.000 1.411 122 G CA 0.505 45.635 45.100 0.050 0.000 1.054 122 G HN 1.084 nan 8.290 nan 0.000 0.579 123 G N -0.978 107.818 108.800 -0.006 0.000 2.583 123 G HA2 -0.075 3.892 3.960 0.011 0.000 0.292 123 G HA3 -0.075 3.892 3.960 0.011 0.000 0.292 123 G C 0.702 175.489 174.900 -0.188 0.000 1.203 123 G CA 1.255 46.320 45.100 -0.059 0.000 0.987 123 G HN 1.637 nan 8.290 nan 0.000 0.554 124 L N -1.420 119.810 121.223 0.012 0.000 2.920 124 L HA 0.568 4.915 4.340 0.011 0.000 0.168 124 L C 2.410 179.377 176.870 0.161 0.000 1.141 124 L CA 1.659 56.559 54.840 0.100 0.000 0.859 124 L CB -0.756 41.370 42.059 0.110 0.000 1.398 124 L HN 0.783 nan 8.230 nan 0.000 0.517 125 L N 0.331 121.594 121.223 0.067 0.000 2.046 125 L HA -0.085 4.262 4.340 0.011 0.000 0.208 125 L C 0.824 177.646 176.870 -0.080 0.000 1.077 125 L CA 1.633 56.477 54.840 0.007 0.000 0.747 125 L CB -0.164 41.863 42.059 -0.054 0.000 0.896 125 L HN 0.411 nan 8.230 nan 0.000 0.432 126 N N -0.241 118.378 118.700 -0.135 0.000 2.273 126 N HA 0.075 4.822 4.740 0.011 0.000 0.231 126 N C -0.123 175.337 175.510 -0.084 0.000 1.134 126 N CA 0.042 52.958 53.050 -0.224 0.000 0.856 126 N CB 0.400 38.613 38.487 -0.456 0.000 1.068 126 N HN 0.148 nan 8.380 nan 0.000 0.510 127 S N 1.013 116.728 115.700 0.024 0.000 2.568 127 S HA 0.144 4.621 4.470 0.011 0.000 0.282 127 S C 0.547 175.179 174.600 0.054 0.000 1.338 127 S CA -0.421 57.828 58.200 0.083 0.000 1.045 127 S CB 0.592 63.930 63.200 0.230 0.000 0.873 127 S HN 0.107 nan 8.310 nan 0.000 0.516 128 R N 2.066 122.602 120.500 0.060 0.000 2.734 128 R HA 0.019 4.366 4.340 0.011 0.000 0.266 128 R C -0.467 175.871 176.300 0.063 0.000 1.044 128 R CA -0.030 56.101 56.100 0.052 0.000 1.128 128 R CB -0.257 30.077 30.300 0.057 0.000 1.010 128 R HN 0.719 nan 8.270 nan 0.000 0.461 129 Y N 1.276 121.495 120.300 -0.136 0.000 2.674 129 Y HA 0.307 4.862 4.550 0.008 0.000 0.354 129 Y C 0.556 176.446 175.900 -0.016 0.000 1.089 129 Y CA 0.996 58.972 58.100 -0.207 0.000 1.444 129 Y CB -0.117 38.182 38.460 -0.268 0.000 1.187 129 Y HN 0.733 nan 8.280 nan 0.000 0.523 130 G N 4.772 113.467 108.800 -0.175 0.000 2.570 130 G HA2 0.110 4.076 3.960 0.011 0.000 0.310 130 G HA3 0.110 4.076 3.960 0.011 0.000 0.310 130 G C -0.104 174.792 174.900 -0.007 0.000 1.266 130 G CA -0.586 44.448 45.100 -0.111 0.000 0.825 130 G HN 0.457 nan 8.290 nan 0.000 0.483 131 R N -0.542 119.957 120.500 -0.001 0.000 2.096 131 R HA -0.004 4.343 4.340 0.011 0.000 0.235 131 R C 2.419 178.727 176.300 0.012 0.000 1.127 131 R CA 2.516 58.617 56.100 0.002 0.000 0.968 131 R CB -0.875 29.418 30.300 -0.012 0.000 0.861 131 R HN 0.604 nan 8.270 nan 0.000 0.440 132 G N 0.423 109.252 108.800 0.048 0.000 2.491 132 G HA2 -0.349 3.617 3.960 0.011 0.000 0.218 132 G HA3 -0.349 3.617 3.960 0.011 0.000 0.218 132 G C 1.140 176.162 174.900 0.203 0.000 1.180 132 G CA 0.872 46.029 45.100 0.094 0.000 0.774 132 G HN 0.629 nan 8.290 nan 0.000 0.562 133 W N 1.107 122.419 121.300 0.020 0.000 2.335 133 W HA -0.151 4.515 4.660 0.011 0.000 0.311 133 W C 2.545 179.095 176.519 0.052 0.000 1.213 133 W CA 2.208 59.578 57.345 0.042 0.000 1.274 133 W CB -0.533 28.937 29.460 0.018 0.000 1.148 133 W HN 0.055 nan 8.180 nan 0.000 0.498 134 V N 1.273 121.176 119.914 -0.019 0.000 2.287 134 V HA -0.344 3.783 4.120 0.011 0.000 0.248 134 V C 2.100 178.042 176.094 -0.253 0.000 1.053 134 V CA 2.479 64.629 62.300 -0.251 0.000 1.027 134 V CB -1.042 30.765 31.823 -0.028 0.000 0.646 134 V HN 0.095 nan 8.190 nan 0.000 0.447 135 D N -1.081 119.209 120.400 -0.183 0.000 2.144 135 D HA -0.151 4.496 4.640 0.011 0.000 0.199 135 D C 2.078 178.235 176.300 -0.238 0.000 0.984 135 D CA 1.543 55.404 54.000 -0.232 0.000 0.834 135 D CB -0.260 40.227 40.800 -0.521 0.000 0.955 135 D HN 0.602 nan 8.370 nan 0.000 0.465 136 H N -0.462 118.483 119.070 -0.208 0.000 2.372 136 H HA 0.076 4.638 4.556 0.010 0.000 0.301 136 H C 2.046 177.333 175.328 -0.067 0.000 1.065 136 H CA 1.108 57.142 56.048 -0.024 0.000 1.364 136 H CB 0.189 29.965 29.762 0.024 0.000 1.406 136 H HN -0.100 nan 8.280 nan 0.000 0.521 137 R N 1.230 121.574 120.500 -0.261 0.000 2.080 137 R HA -0.120 4.227 4.340 0.011 0.000 0.236 137 R C 2.303 178.480 176.300 -0.204 0.000 1.137 137 R CA 1.691 57.541 56.100 -0.417 0.000 0.943 137 R CB -0.212 29.421 30.300 -1.113 0.000 0.846 137 R HN 0.154 nan 8.270 nan 0.000 0.431 138 R N -0.330 120.051 120.500 -0.198 0.000 2.091 138 R HA -0.142 4.205 4.340 0.011 0.000 0.238 138 R C 2.175 178.480 176.300 0.009 0.000 1.136 138 R CA 1.774 57.822 56.100 -0.086 0.000 0.959 138 R CB -0.557 29.694 30.300 -0.083 0.000 0.856 138 R HN 0.330 nan 8.270 nan 0.000 0.437 139 L N 0.128 121.391 121.223 0.067 0.000 2.083 139 L HA -0.024 4.323 4.340 0.011 0.000 0.209 139 L C 2.068 179.150 176.870 0.354 0.000 1.083 139 L CA 2.087 57.017 54.840 0.149 0.000 0.752 139 L CB -0.566 41.578 42.059 0.143 0.000 0.899 139 L HN 0.244 nan 8.230 nan 0.000 0.433 140 A N -1.191 121.856 122.820 0.379 0.000 1.854 140 A HA -0.093 4.233 4.320 0.011 0.000 0.214 140 A C 2.236 179.959 177.584 0.231 0.000 1.192 140 A CA 1.748 54.007 52.037 0.370 0.000 0.611 140 A CB -1.076 17.985 19.000 0.100 0.000 0.832 140 A HN 0.253 nan 8.150 nan 0.000 0.442 141 V N 1.237 121.198 119.914 0.079 0.000 2.287 141 V HA -0.292 3.835 4.120 0.011 0.000 0.248 141 V C 2.320 178.482 176.094 0.114 0.000 1.053 141 V CA 2.282 64.619 62.300 0.062 0.000 1.027 141 V CB -1.044 30.789 31.823 0.017 0.000 0.646 141 V HN 0.551 nan 8.190 nan 0.000 0.447 142 N N 0.153 118.905 118.700 0.087 0.000 2.166 142 N HA -0.121 4.626 4.740 0.011 0.000 0.186 142 N C 2.060 177.587 175.510 0.029 0.000 1.019 142 N CA 1.775 54.841 53.050 0.026 0.000 0.856 142 N CB -0.393 38.070 38.487 -0.040 0.000 0.993 142 N HN 0.424 nan 8.380 nan 0.000 0.426 143 S N 0.098 115.912 115.700 0.189 0.000 2.395 143 S HA 0.066 4.543 4.470 0.011 0.000 0.225 143 S C 1.602 176.299 174.600 0.161 0.000 1.027 143 S CA 0.389 58.755 58.200 0.276 0.000 0.965 143 S CB -0.212 63.411 63.200 0.706 0.000 0.812 143 S HN 0.207 nan 8.310 nan 0.000 0.482 144 F N 1.851 121.771 119.950 -0.050 0.000 2.186 144 F HA 0.069 4.603 4.527 0.012 0.000 0.299 144 F C 2.438 177.748 175.800 -0.815 0.000 1.090 144 F CA 0.801 58.631 58.000 -0.283 0.000 1.307 144 F CB -0.330 38.602 39.000 -0.114 0.000 1.019 144 F HN 0.065 nan 8.300 nan 0.000 0.489 145 R N -1.140 119.088 120.500 -0.454 0.000 2.055 145 R HA -0.204 4.143 4.340 0.011 0.000 0.228 145 R C 2.302 178.358 176.300 -0.406 0.000 1.143 145 R CA 1.531 57.292 56.100 -0.565 0.000 0.945 145 R CB -0.860 29.379 30.300 -0.101 0.000 0.841 145 R HN 0.254 nan 8.270 nan 0.000 0.429 146 Y N 0.025 120.065 120.300 -0.434 0.000 2.163 146 Y HA -0.137 4.420 4.550 0.012 0.000 0.288 146 Y C 1.403 176.970 175.900 -0.555 0.000 1.136 146 Y CA 1.839 59.626 58.100 -0.523 0.000 1.147 146 Y CB -0.120 37.912 38.460 -0.713 0.000 0.987 146 Y HN 0.062 nan 8.280 nan 0.000 0.509 147 F N -1.034 118.811 119.950 -0.174 0.000 2.797 147 F HA 0.229 4.762 4.527 0.011 0.000 0.302 147 F C 1.704 177.242 175.800 -0.437 0.000 1.130 147 F CA 0.205 58.056 58.000 -0.249 0.000 1.387 147 F CB 0.029 38.959 39.000 -0.117 0.000 1.107 147 F HN 0.069 nan 8.300 nan 0.000 0.577 148 G N -0.398 108.041 108.800 -0.602 0.000 3.069 148 G HA2 0.029 3.996 3.960 0.011 0.000 0.205 148 G HA3 0.029 3.996 3.960 0.011 0.000 0.205 148 G C 0.463 174.608 174.900 -1.258 0.000 1.771 148 G CA 0.025 44.306 45.100 -1.366 0.000 0.739 148 G HN 0.241 nan 8.290 nan 0.000 0.784 149 Y N 0.883 120.715 120.300 -0.781 0.000 2.561 149 Y HA 0.272 4.829 4.550 0.011 0.000 0.291 149 Y C 2.309 178.184 175.900 -0.042 0.000 1.141 149 Y CA 0.128 58.097 58.100 -0.218 0.000 1.303 149 Y CB -0.919 37.550 38.460 0.014 0.000 1.015 149 Y HN 0.230 nan 8.280 nan 0.000 0.547 150 G N 0.180 108.911 108.800 -0.115 0.000 2.534 150 G HA2 -0.077 3.889 3.960 0.011 0.000 0.217 150 G HA3 -0.077 3.889 3.960 0.011 0.000 0.217 150 G C 0.544 175.416 174.900 -0.046 0.000 1.128 150 G CA -0.113 44.970 45.100 -0.028 0.000 0.784 150 G HN 0.432 nan 8.290 nan 0.000 0.542 151 Q N -0.738 119.017 119.800 -0.075 0.000 2.259 151 Q HA 0.492 4.839 4.340 0.011 0.000 0.249 151 Q C 1.462 177.512 176.000 0.084 0.000 0.914 151 Q CA 0.012 55.799 55.803 -0.027 0.000 0.904 151 Q CB 1.346 30.059 28.738 -0.041 0.000 1.213 151 Q HN 0.204 nan 8.270 nan 0.000 0.428 152 K N 0.669 121.107 120.400 0.063 0.000 2.148 152 K HA -0.113 4.213 4.320 0.011 0.000 0.204 152 K C 1.820 178.480 176.600 0.101 0.000 1.050 152 K CA 1.897 58.234 56.287 0.085 0.000 0.942 152 K CB -0.581 31.952 32.500 0.055 0.000 0.724 152 K HN 0.722 nan 8.250 nan 0.000 0.446 153 S N -0.945 114.812 115.700 0.095 0.000 2.562 153 S HA 0.069 4.546 4.470 0.011 0.000 0.221 153 S C 1.755 176.425 174.600 0.116 0.000 0.975 153 S CA 0.519 58.771 58.200 0.086 0.000 0.918 153 S CB -0.488 62.749 63.200 0.061 0.000 0.772 153 S HN 0.467 nan 8.310 nan 0.000 0.531 154 F N 2.932 122.895 119.950 0.022 0.000 2.113 154 F HA 0.020 4.554 4.527 0.012 0.000 0.297 154 F C 2.425 178.243 175.800 0.030 0.000 1.103 154 F CA 1.745 59.760 58.000 0.025 0.000 1.248 154 F CB -0.485 38.535 39.000 0.033 0.000 0.999 154 F HN 0.302 nan 8.300 nan 0.000 0.475 155 E N -0.090 120.146 120.200 0.060 0.000 2.160 155 E HA -0.249 4.108 4.350 0.011 0.000 0.195 155 E C 2.170 178.702 176.600 -0.113 0.000 0.991 155 E CA 1.547 57.921 56.400 -0.043 0.000 0.810 155 E CB -0.231 29.524 29.700 0.092 0.000 0.742 155 E HN 0.524 nan 8.360 nan 0.000 0.466 156 S N 0.098 115.757 115.700 -0.068 0.000 2.423 156 S HA -0.123 4.354 4.470 0.011 0.000 0.231 156 S C 1.753 176.285 174.600 -0.113 0.000 1.014 156 S CA 0.948 59.109 58.200 -0.065 0.000 0.965 156 S CB -0.113 63.074 63.200 -0.022 0.000 0.785 156 S HN 0.204 nan 8.310 nan 0.000 0.495 157 K N 1.019 121.309 120.400 -0.184 0.000 2.103 157 K HA 0.170 4.496 4.320 0.011 0.000 0.204 157 K C 2.007 178.460 176.600 -0.245 0.000 1.052 157 K CA 1.378 57.542 56.287 -0.205 0.000 0.945 157 K CB -0.405 31.939 32.500 -0.261 0.000 0.722 157 K HN 0.417 nan 8.250 nan 0.000 0.443 158 I N 0.795 121.134 120.570 -0.385 0.000 2.179 158 I HA -0.292 3.885 4.170 0.011 0.000 0.242 158 I C 1.949 177.902 176.117 -0.273 0.000 1.088 158 I CA 1.009 62.108 61.300 -0.335 0.000 1.357 158 I CB -0.284 37.497 38.000 -0.364 0.000 1.051 158 I HN 0.055 nan 8.210 nan 0.000 0.409 159 L N 0.652 121.755 121.223 -0.200 0.000 2.079 159 L HA -0.215 4.132 4.340 0.011 0.000 0.210 159 L C 2.449 179.263 176.870 -0.093 0.000 1.081 159 L CA 1.791 56.548 54.840 -0.138 0.000 0.752 159 L CB -0.773 41.236 42.059 -0.082 0.000 0.896 159 L HN 0.220 nan 8.230 nan 0.000 0.433 160 E N -0.926 119.226 120.200 -0.079 0.000 2.118 160 E HA -0.284 4.073 4.350 0.011 0.000 0.195 160 E C 2.075 178.708 176.600 0.056 0.000 0.992 160 E CA 1.243 57.597 56.400 -0.077 0.000 0.804 160 E CB -0.028 29.660 29.700 -0.019 0.000 0.741 160 E HN 0.387 nan 8.360 nan 0.000 0.458 161 E N 0.143 120.450 120.200 0.179 0.000 2.106 161 E HA -0.148 4.209 4.350 0.011 0.000 0.192 161 E C 2.118 178.988 176.600 0.449 0.000 0.984 161 E CA 1.805 58.453 56.400 0.415 0.000 0.806 161 E CB -0.228 29.691 29.700 0.365 0.000 0.750 161 E HN 0.337 nan 8.360 nan 0.000 0.458 162 T N -1.442 113.202 114.554 0.150 0.000 2.833 162 T HA -0.164 4.193 4.350 0.011 0.000 0.269 162 T C 1.909 176.811 174.700 0.337 0.000 1.054 162 T CA 1.467 63.713 62.100 0.244 0.000 1.135 162 T CB -0.186 68.653 68.868 -0.048 0.000 0.869 162 T HN 0.090 nan 8.240 nan 0.000 0.466 163 K N -0.138 120.350 120.400 0.146 0.000 2.044 163 K HA 0.054 4.381 4.320 0.011 0.000 0.204 163 K C 1.994 178.636 176.600 0.071 0.000 1.049 163 K CA 0.782 57.092 56.287 0.038 0.000 0.945 163 K CB -0.303 32.102 32.500 -0.157 0.000 0.724 163 K HN 0.438 nan 8.250 nan 0.000 0.440 164 F N 0.492 120.539 119.950 0.162 0.000 2.065 164 F HA -0.264 4.270 4.527 0.011 0.000 0.298 164 F C 2.292 178.312 175.800 0.367 0.000 1.112 164 F CA 1.336 59.411 58.000 0.125 0.000 1.212 164 F CB -0.504 38.460 39.000 -0.060 0.000 0.975 164 F HN 0.083 nan 8.300 nan 0.000 0.476 165 F N 1.625 121.916 119.950 0.569 0.000 2.046 165 F HA -0.270 4.264 4.527 0.012 0.000 0.297 165 F C 2.280 178.272 175.800 0.320 0.000 1.123 165 F CA 1.866 60.153 58.000 0.478 0.000 1.199 165 F CB -0.888 38.408 39.000 0.494 0.000 0.972 165 F HN -0.142 nan 8.300 nan 0.000 0.474 166 N N 0.773 119.620 118.700 0.245 0.000 2.120 166 N HA -0.173 4.573 4.740 0.011 0.000 0.188 166 N C 1.474 177.086 175.510 0.171 0.000 1.024 166 N CA 1.608 54.766 53.050 0.180 0.000 0.852 166 N CB -0.774 37.918 38.487 0.342 0.000 1.003 166 N HN 0.346 nan 8.380 nan 0.000 0.424 167 D N 0.772 121.262 120.400 0.149 0.000 2.123 167 D HA -0.088 4.559 4.640 0.011 0.000 0.196 167 D C 1.794 178.125 176.300 0.052 0.000 0.992 167 D CA 1.229 55.288 54.000 0.098 0.000 0.833 167 D CB -0.367 40.476 40.800 0.072 0.000 0.954 167 D HN 0.256 nan 8.370 nan 0.000 0.455 168 A N 0.460 123.321 122.820 0.069 0.000 1.933 168 A HA -0.127 4.199 4.320 0.011 0.000 0.218 168 A C 2.362 179.860 177.584 -0.143 0.000 1.175 168 A CA 0.853 52.890 52.037 0.000 0.000 0.628 168 A CB -0.663 18.424 19.000 0.147 0.000 0.814 168 A HN 0.211 nan 8.150 nan 0.000 0.444 169 I N -0.625 119.809 120.570 -0.226 0.000 2.226 169 I HA -0.232 3.945 4.170 0.011 0.000 0.245 169 I C 2.525 178.536 176.117 -0.176 0.000 1.100 169 I CA 1.738 62.831 61.300 -0.345 0.000 1.374 169 I CB -0.272 37.312 38.000 -0.693 0.000 1.057 169 I HN 0.368 nan 8.210 nan 0.000 0.413 170 E N 1.155 121.353 120.200 -0.005 0.000 2.153 170 E HA -0.224 4.133 4.350 0.011 0.000 0.194 170 E C 2.091 178.676 176.600 -0.025 0.000 0.988 170 E CA 2.022 58.487 56.400 0.108 0.000 0.811 170 E CB -0.450 29.362 29.700 0.187 0.000 0.746 170 E HN 0.547 nan 8.360 nan 0.000 0.466 171 T N -2.121 112.355 114.554 -0.130 0.000 2.918 171 T HA -0.221 4.135 4.350 0.011 0.000 0.271 171 T C 1.587 176.068 174.700 -0.365 0.000 1.104 171 T CA 1.326 63.277 62.100 -0.248 0.000 1.114 171 T CB -0.686 67.978 68.868 -0.341 0.000 0.855 171 T HN 0.297 nan 8.240 nan 0.000 0.518 172 Y N 1.424 121.560 120.300 -0.274 0.000 2.516 172 Y HA 0.222 4.778 4.550 0.011 0.000 0.291 172 Y C 1.059 176.882 175.900 -0.130 0.000 1.131 172 Y CA 0.020 57.950 58.100 -0.284 0.000 1.281 172 Y CB 0.133 38.270 38.460 -0.539 0.000 1.013 172 Y HN 0.019 nan 8.280 nan 0.000 0.554 173 K N -0.060 120.360 120.400 0.034 0.000 3.071 173 K HA -0.240 4.087 4.320 0.011 0.000 0.265 173 K C 1.055 177.701 176.600 0.077 0.000 1.060 173 K CA 0.888 57.199 56.287 0.041 0.000 0.767 173 K CB -2.184 30.320 32.500 0.008 0.000 1.241 173 K HN 0.705 nan 8.250 nan 0.000 0.486 174 G N -0.306 108.560 108.800 0.110 0.000 2.184 174 G HA2 -0.373 3.594 3.960 0.011 0.000 0.264 174 G HA3 -0.373 3.594 3.960 0.011 0.000 0.264 174 G C 0.183 175.142 174.900 0.099 0.000 0.975 174 G CA 0.643 45.812 45.100 0.116 0.000 0.642 174 G HN 0.410 nan 8.290 nan 0.000 0.536 175 R N 1.204 121.773 120.500 0.114 0.000 2.539 175 R HA 0.380 4.727 4.340 0.011 0.000 0.275 175 R C -2.153 174.222 176.300 0.125 0.000 1.077 175 R CA -1.246 54.916 56.100 0.103 0.000 1.097 175 R CB 0.482 30.853 30.300 0.118 0.000 1.018 175 R HN 0.172 nan 8.270 nan 0.000 0.483 176 P HA 0.071 nan 4.420 nan 0.000 0.271 176 P C -0.991 176.361 177.300 0.085 0.000 1.216 176 P CA 0.239 63.351 63.100 0.019 0.000 0.776 176 P CB 0.387 32.059 31.700 -0.047 0.000 0.881 177 F N -0.834 118.972 119.950 -0.240 0.000 2.773 177 F HA 0.506 5.040 4.527 0.011 0.000 0.314 177 F C -1.586 174.071 175.800 -0.238 0.000 1.160 177 F CA -1.234 56.566 58.000 -0.334 0.000 0.920 177 F CB 1.054 39.582 39.000 -0.786 0.000 1.323 177 F HN 0.049 nan 8.300 nan 0.000 0.457 178 D N 1.404 121.609 120.400 -0.325 0.000 2.313 178 D HA 0.256 4.903 4.640 0.011 0.000 0.239 178 D C 0.208 176.328 176.300 -0.300 0.000 1.142 178 D CA -0.141 53.635 54.000 -0.374 0.000 0.847 178 D CB 0.880 41.549 40.800 -0.218 0.000 1.082 178 D HN 0.598 nan 8.370 nan 0.000 0.480 179 F N 2.458 122.001 119.950 -0.677 0.000 2.502 179 F HA -0.053 4.481 4.527 0.011 0.000 0.298 179 F C 2.468 178.180 175.800 -0.146 0.000 1.111 179 F CA 0.265 58.040 58.000 -0.376 0.000 1.445 179 F CB 0.317 39.097 39.000 -0.366 0.000 1.081 179 F HN 0.367 nan 8.300 nan 0.000 0.558 180 K N 0.409 120.779 120.400 -0.049 0.000 2.034 180 K HA -0.332 3.995 4.320 0.011 0.000 0.214 180 K C 2.179 178.758 176.600 -0.034 0.000 1.051 180 K CA 2.017 58.268 56.287 -0.060 0.000 0.931 180 K CB -0.171 32.262 32.500 -0.111 0.000 0.715 180 K HN 0.127 nan 8.250 nan 0.000 0.446 181 Q N 0.841 120.624 119.800 -0.029 0.000 2.020 181 Q HA -0.095 4.252 4.340 0.011 0.000 0.202 181 Q C 2.053 178.014 176.000 -0.064 0.000 0.982 181 Q CA 1.661 57.443 55.803 -0.034 0.000 0.838 181 Q CB -0.262 28.467 28.738 -0.016 0.000 0.899 181 Q HN 0.403 nan 8.270 nan 0.000 0.423 182 L N -0.372 120.829 121.223 -0.036 0.000 2.012 182 L HA -0.206 4.141 4.340 0.011 0.000 0.210 182 L C 2.334 179.228 176.870 0.039 0.000 1.073 182 L CA 1.265 56.078 54.840 -0.045 0.000 0.748 182 L CB -0.458 41.613 42.059 0.019 0.000 0.891 182 L HN 0.310 nan 8.230 nan 0.000 0.431 183 I N -0.918 119.713 120.570 0.102 0.000 2.226 183 I HA -0.265 3.911 4.170 0.011 0.000 0.245 183 I C 2.481 178.454 176.117 -0.239 0.000 1.100 183 I CA 1.408 62.607 61.300 -0.169 0.000 1.374 183 I CB -0.587 37.371 38.000 -0.069 0.000 1.057 183 I HN 0.253 nan 8.210 nan 0.000 0.413 184 T N 0.909 115.389 114.554 -0.123 0.000 2.684 184 T HA -0.153 4.204 4.350 0.011 0.000 0.267 184 T C 1.713 176.379 174.700 -0.058 0.000 1.036 184 T CA 1.648 63.698 62.100 -0.084 0.000 1.148 184 T CB -0.370 68.470 68.868 -0.047 0.000 0.863 184 T HN 0.301 nan 8.240 nan 0.000 0.436 185 N N 1.720 120.360 118.700 -0.101 0.000 2.043 185 N HA -0.062 4.685 4.740 0.011 0.000 0.193 185 N C 2.148 177.643 175.510 -0.026 0.000 1.037 185 N CA 1.562 54.561 53.050 -0.085 0.000 0.851 185 N CB -0.861 37.363 38.487 -0.437 0.000 1.027 185 N HN 0.444 nan 8.380 nan 0.000 0.422 186 A N 0.770 123.501 122.820 -0.148 0.000 1.877 186 A HA -0.081 4.245 4.320 0.011 0.000 0.216 186 A C 2.550 180.075 177.584 -0.098 0.000 1.186 186 A CA 1.586 53.596 52.037 -0.046 0.000 0.620 186 A CB -0.887 17.888 19.000 -0.375 0.000 0.822 186 A HN 0.120 nan 8.150 nan 0.000 0.443 187 V N 1.074 120.805 119.914 -0.305 0.000 2.358 187 V HA -0.232 3.895 4.120 0.011 0.000 0.246 187 V C 2.954 179.068 176.094 0.034 0.000 1.047 187 V CA 2.339 64.535 62.300 -0.173 0.000 1.035 187 V CB -0.922 30.768 31.823 -0.221 0.000 0.658 187 V HN 0.787 nan 8.190 nan 0.000 0.452 188 S N 0.428 116.171 115.700 0.071 0.000 2.383 188 S HA -0.202 4.274 4.470 0.011 0.000 0.227 188 S C 1.816 176.512 174.600 0.160 0.000 1.026 188 S CA 1.354 59.662 58.200 0.179 0.000 0.981 188 S CB -0.661 62.733 63.200 0.324 0.000 0.818 188 S HN 0.555 nan 8.310 nan 0.000 0.472 189 N N 1.936 120.707 118.700 0.118 0.000 2.192 189 N HA -0.038 4.709 4.740 0.011 0.000 0.188 189 N C 1.495 177.036 175.510 0.052 0.000 1.013 189 N CA 1.196 54.273 53.050 0.045 0.000 0.863 189 N CB -0.498 38.038 38.487 0.082 0.000 0.990 189 N HN 0.359 nan 8.380 nan 0.000 0.430 190 I N 0.706 121.353 120.570 0.128 0.000 2.252 190 I HA -0.148 4.028 4.170 0.011 0.000 0.245 190 I C 2.074 178.292 176.117 0.169 0.000 1.102 190 I CA 1.134 62.526 61.300 0.154 0.000 1.385 190 I CB -1.624 36.510 38.000 0.223 0.000 1.064 190 I HN 0.078 nan 8.210 nan 0.000 0.414 191 T N 1.603 116.243 114.554 0.144 0.000 2.746 191 T HA -0.120 4.237 4.350 0.011 0.000 0.267 191 T C 1.704 176.388 174.700 -0.026 0.000 1.039 191 T CA 1.260 63.410 62.100 0.082 0.000 1.142 191 T CB -0.234 68.728 68.868 0.157 0.000 0.866 191 T HN 0.266 nan 8.240 nan 0.000 0.444 192 N N 1.331 120.044 118.700 0.021 0.000 2.272 192 N HA -0.000 4.747 4.740 0.011 0.000 0.185 192 N C 1.760 177.206 175.510 -0.106 0.000 1.014 192 N CA 0.714 53.756 53.050 -0.014 0.000 0.870 192 N CB -0.475 37.911 38.487 -0.169 0.000 0.975 192 N HN 0.382 nan 8.380 nan 0.000 0.433 193 L N 0.309 121.492 121.223 -0.067 0.000 2.093 193 L HA -0.053 4.294 4.340 0.011 0.000 0.208 193 L C 2.036 178.883 176.870 -0.037 0.000 1.085 193 L CA 0.833 55.665 54.840 -0.013 0.000 0.755 193 L CB -0.226 41.906 42.059 0.122 0.000 0.904 193 L HN 0.110 nan 8.230 nan 0.000 0.435 194 I N -0.846 119.644 120.570 -0.132 0.000 2.480 194 I HA -0.206 3.971 4.170 0.011 0.000 0.251 194 I C 2.241 178.186 176.117 -0.286 0.000 1.124 194 I CA 1.198 62.335 61.300 -0.271 0.000 1.444 194 I CB 0.025 37.622 38.000 -0.672 0.000 1.098 194 I HN 0.144 nan 8.210 nan 0.000 0.428 195 I N -0.311 120.028 120.570 -0.385 0.000 2.339 195 I HA -0.160 4.016 4.170 0.011 0.000 0.245 195 I C 1.549 177.252 176.117 -0.691 0.000 1.096 195 I CA 1.372 62.357 61.300 -0.525 0.000 1.408 195 I CB 0.046 37.555 38.000 -0.817 0.000 1.092 195 I HN 0.050 nan 8.210 nan 0.000 0.423 196 F N 0.166 119.973 119.950 -0.238 0.000 2.678 196 F HA 0.374 4.907 4.527 0.011 0.000 0.305 196 F C 1.745 177.365 175.800 -0.300 0.000 1.090 196 F CA 0.224 57.982 58.000 -0.403 0.000 1.272 196 F CB -0.172 38.736 39.000 -0.153 0.000 1.060 196 F HN 0.128 nan 8.300 nan 0.000 0.576 197 G N 0.951 109.741 108.800 -0.017 0.000 2.162 197 G HA2 -0.273 3.693 3.960 0.011 0.000 0.260 197 G HA3 -0.273 3.693 3.960 0.011 0.000 0.260 197 G C 0.062 174.967 174.900 0.007 0.000 0.976 197 G CA 0.491 45.635 45.100 0.074 0.000 0.655 197 G HN 0.512 nan 8.290 nan 0.000 0.533 198 E N -1.099 119.046 120.200 -0.091 0.000 2.390 198 E HA 0.580 4.937 4.350 0.011 0.000 0.280 198 E C 0.013 176.340 176.600 -0.455 0.000 0.992 198 E CA -1.220 55.063 56.400 -0.196 0.000 0.790 198 E CB 0.914 30.524 29.700 -0.151 0.000 1.248 198 E HN 0.536 nan 8.360 nan 0.000 0.447 199 R N 1.094 121.362 120.500 -0.386 0.000 2.577 199 R HA 0.504 4.851 4.340 0.011 0.000 0.269 199 R C -1.031 174.887 176.300 -0.637 0.000 1.084 199 R CA -0.479 55.331 56.100 -0.483 0.000 1.163 199 R CB 0.546 30.698 30.300 -0.247 0.000 1.100 199 R HN 0.399 nan 8.270 nan 0.000 0.547 200 F N -0.013 119.821 119.950 -0.194 0.000 2.492 200 F HA 0.283 4.817 4.527 0.011 0.000 0.327 200 F C 0.939 176.644 175.800 -0.158 0.000 1.079 200 F CA -1.006 56.870 58.000 -0.206 0.000 0.967 200 F CB 2.181 40.987 39.000 -0.323 0.000 1.169 200 F HN 0.691 nan 8.300 nan 0.000 0.472 201 T N -1.873 112.699 114.554 0.030 0.000 2.766 201 T HA 0.118 4.475 4.350 0.011 0.000 0.295 201 T C 0.587 175.356 174.700 0.116 0.000 1.024 201 T CA -0.292 61.739 62.100 -0.114 0.000 1.018 201 T CB 0.443 69.231 68.868 -0.133 0.000 1.002 201 T HN 0.616 nan 8.240 nan 0.000 0.532 202 Y N -0.473 119.798 120.300 -0.048 0.000 2.578 202 Y HA 0.074 4.630 4.550 0.011 0.000 0.297 202 Y C 1.885 177.797 175.900 0.019 0.000 1.176 202 Y CA -0.397 57.709 58.100 0.011 0.000 1.315 202 Y CB 0.021 38.495 38.460 0.022 0.000 1.031 202 Y HN 0.632 nan 8.280 nan 0.000 0.524 203 E N -0.290 119.992 120.200 0.137 0.000 2.474 203 E HA -0.047 4.310 4.350 0.011 0.000 0.195 203 E C 0.049 176.693 176.600 0.073 0.000 1.039 203 E CA 0.082 56.531 56.400 0.081 0.000 0.881 203 E CB 0.025 29.748 29.700 0.039 0.000 0.970 203 E HN 0.087 nan 8.360 nan 0.000 0.486 204 D N 0.817 121.278 120.400 0.101 0.000 2.608 204 D HA -0.029 4.618 4.640 0.011 0.000 0.224 204 D C 0.810 177.181 176.300 0.118 0.000 1.123 204 D CA 0.152 54.208 54.000 0.092 0.000 1.030 204 D CB 0.031 40.885 40.800 0.090 0.000 1.093 204 D HN 0.122 nan 8.370 nan 0.000 0.497 205 T N -1.082 113.519 114.554 0.078 0.000 2.929 205 T HA -0.170 4.187 4.350 0.011 0.000 0.271 205 T C 1.241 175.974 174.700 0.056 0.000 1.085 205 T CA 0.743 62.880 62.100 0.063 0.000 1.125 205 T CB 0.142 69.026 68.868 0.028 0.000 0.874 205 T HN 0.079 nan 8.240 nan 0.000 0.494 206 D N 0.643 121.083 120.400 0.067 0.000 2.097 206 D HA 0.015 4.661 4.640 0.011 0.000 0.197 206 D C 1.539 177.803 176.300 -0.061 0.000 0.984 206 D CA 0.690 54.733 54.000 0.072 0.000 0.826 206 D CB -0.634 40.292 40.800 0.210 0.000 0.973 206 D HN 0.441 nan 8.370 nan 0.000 0.460 207 F N 1.888 121.788 119.950 -0.083 0.000 2.134 207 F HA -0.192 4.342 4.527 0.011 0.000 0.299 207 F C 2.427 178.120 175.800 -0.178 0.000 1.097 207 F CA 1.557 59.449 58.000 -0.180 0.000 1.264 207 F CB -0.107 38.834 39.000 -0.099 0.000 1.001 207 F HN -0.011 nan 8.300 nan 0.000 0.479 208 Q N -1.561 118.270 119.800 0.053 0.000 2.245 208 Q HA -0.222 4.124 4.340 0.011 0.000 0.201 208 Q C 1.894 177.832 176.000 -0.103 0.000 0.955 208 Q CA 1.598 57.400 55.803 -0.001 0.000 0.870 208 Q CB -1.051 27.748 28.738 0.101 0.000 0.945 208 Q HN 0.593 nan 8.270 nan 0.000 0.461 209 H N 1.245 120.198 119.070 -0.195 0.000 2.321 209 H HA -0.091 4.471 4.556 0.011 0.000 0.300 209 H C 2.156 177.305 175.328 -0.299 0.000 1.087 209 H CA 2.181 58.106 56.048 -0.206 0.000 1.319 209 H CB -0.102 29.554 29.762 -0.177 0.000 1.379 209 H HN 0.202 nan 8.280 nan 0.000 0.501 210 M N 0.188 119.455 119.600 -0.555 0.000 2.065 210 M HA -0.177 4.309 4.480 0.011 0.000 0.259 210 M C 1.799 177.846 176.300 -0.421 0.000 1.069 210 M CA 1.597 56.503 55.300 -0.656 0.000 1.110 210 M CB -0.459 31.453 32.600 -1.147 0.000 1.328 210 M HN 0.403 nan 8.290 nan 0.000 0.405 211 I N 0.689 121.008 120.570 -0.418 0.000 2.208 211 I HA -0.298 3.879 4.170 0.011 0.000 0.245 211 I C 2.425 178.467 176.117 -0.126 0.000 1.097 211 I CA 1.663 62.834 61.300 -0.214 0.000 1.363 211 I CB -1.480 36.401 38.000 -0.198 0.000 1.051 211 I HN 0.501 nan 8.210 nan 0.000 0.413 212 E N 0.885 120.974 120.200 -0.185 0.000 2.077 212 E HA -0.212 4.145 4.350 0.011 0.000 0.193 212 E C 2.438 178.938 176.600 -0.166 0.000 0.989 212 E CA 1.064 57.367 56.400 -0.161 0.000 0.800 212 E CB 0.035 29.627 29.700 -0.180 0.000 0.746 212 E HN 0.444 nan 8.360 nan 0.000 0.452 213 L N -0.152 120.917 121.223 -0.257 0.000 2.056 213 L HA -0.117 4.230 4.340 0.011 0.000 0.207 213 L C 2.486 179.326 176.870 -0.050 0.000 1.078 213 L CA 0.946 55.665 54.840 -0.202 0.000 0.749 213 L CB -0.487 41.394 42.059 -0.297 0.000 0.901 213 L HN 0.236 nan 8.230 nan 0.000 0.433 214 F N -0.065 119.778 119.950 -0.177 0.000 2.161 214 F HA -0.304 4.229 4.527 0.010 0.000 0.300 214 F C 2.899 178.643 175.800 -0.093 0.000 1.089 214 F CA 1.244 59.176 58.000 -0.114 0.000 1.282 214 F CB 0.158 39.090 39.000 -0.115 0.000 1.010 214 F HN 0.065 nan 8.300 nan 0.000 0.485 215 S N -0.124 115.637 115.700 0.102 0.000 2.387 215 S HA -0.180 4.297 4.470 0.011 0.000 0.226 215 S C 1.771 176.371 174.600 -0.000 0.000 1.026 215 S CA 1.237 59.438 58.200 0.001 0.000 0.972 215 S CB -0.353 62.821 63.200 -0.043 0.000 0.814 215 S HN 0.455 nan 8.310 nan 0.000 0.477 216 E N 0.827 121.020 120.200 -0.012 0.000 2.070 216 E HA -0.169 4.188 4.350 0.011 0.000 0.197 216 E C 1.831 178.423 176.600 -0.014 0.000 1.004 216 E CA 1.392 57.775 56.400 -0.028 0.000 0.805 216 E CB -0.210 29.458 29.700 -0.054 0.000 0.744 216 E HN 0.470 nan 8.360 nan 0.000 0.451 217 N N 0.119 118.832 118.700 0.022 0.000 2.223 217 N HA -0.125 4.622 4.740 0.011 0.000 0.185 217 N C 1.789 177.320 175.510 0.035 0.000 1.016 217 N CA 0.742 53.811 53.050 0.032 0.000 0.863 217 N CB -0.227 38.312 38.487 0.086 0.000 0.983 217 N HN 0.017 nan 8.380 nan 0.000 0.429 218 V N 0.910 120.849 119.914 0.042 0.000 2.453 218 V HA -0.146 3.981 4.120 0.011 0.000 0.247 218 V C 2.288 178.373 176.094 -0.016 0.000 1.048 218 V CA 1.414 63.715 62.300 0.001 0.000 1.049 218 V CB -0.436 31.368 31.823 -0.032 0.000 0.672 218 V HN 0.358 nan 8.190 nan 0.000 0.457 219 E N 0.501 120.693 120.200 -0.013 0.000 2.028 219 E HA -0.183 4.173 4.350 0.011 0.000 0.191 219 E C 2.204 178.793 176.600 -0.019 0.000 0.988 219 E CA 1.258 57.651 56.400 -0.012 0.000 0.799 219 E CB -0.173 29.518 29.700 -0.014 0.000 0.755 219 E HN 0.548 nan 8.360 nan 0.000 0.447 220 L N 0.606 121.809 121.223 -0.034 0.000 2.187 220 L HA -0.139 4.207 4.340 0.011 0.000 0.213 220 L C 2.541 179.369 176.870 -0.070 0.000 1.100 220 L CA 0.849 55.657 54.840 -0.054 0.000 0.765 220 L CB -0.437 41.570 42.059 -0.086 0.000 0.904 220 L HN 0.239 nan 8.230 nan 0.000 0.437 221 A N -0.140 122.637 122.820 -0.071 0.000 2.178 221 A HA -0.002 4.324 4.320 0.011 0.000 0.218 221 A C 2.294 179.776 177.584 -0.169 0.000 1.157 221 A CA 1.444 53.411 52.037 -0.117 0.000 0.689 221 A CB -0.424 18.533 19.000 -0.070 0.000 0.787 221 A HN 0.406 nan 8.150 nan 0.000 0.465 222 A N -0.078 122.709 122.820 -0.056 0.000 2.220 222 A HA 0.359 4.686 4.320 0.011 0.000 0.211 222 A C 1.408 179.103 177.584 0.185 0.000 1.176 222 A CA 0.667 52.751 52.037 0.079 0.000 0.834 222 A CB -0.495 18.566 19.000 0.102 0.000 0.868 222 A HN 0.726 nan 8.150 nan 0.000 0.488 223 S N -0.666 115.074 115.700 0.067 0.000 2.585 223 S HA 0.484 4.961 4.470 0.011 0.000 0.273 223 S C 1.316 175.999 174.600 0.138 0.000 1.339 223 S CA -0.031 58.211 58.200 0.070 0.000 1.028 223 S CB 1.293 64.501 63.200 0.015 0.000 0.906 223 S HN 0.896 nan 8.310 nan 0.000 0.528 224 A N 2.793 125.619 122.820 0.010 0.000 1.892 224 A HA -0.082 4.244 4.320 0.011 0.000 0.218 224 A C 2.395 179.958 177.584 -0.036 0.000 1.188 224 A CA 2.159 54.085 52.037 -0.185 0.000 0.631 224 A CB -1.773 16.865 19.000 -0.604 0.000 0.822 224 A HN 0.981 nan 8.150 nan 0.000 0.447 225 S N -0.432 115.297 115.700 0.048 0.000 2.380 225 S HA -0.179 4.298 4.470 0.011 0.000 0.229 225 S C 1.804 176.432 174.600 0.046 0.000 1.043 225 S CA 1.648 59.910 58.200 0.104 0.000 1.038 225 S CB -0.621 62.673 63.200 0.157 0.000 0.872 225 S HN 0.361 nan 8.310 nan 0.000 0.456 226 V N 0.730 120.647 119.914 0.006 0.000 2.407 226 V HA -0.054 4.072 4.120 0.011 0.000 0.245 226 V C 1.884 177.913 176.094 -0.108 0.000 1.041 226 V CA 1.328 63.586 62.300 -0.071 0.000 1.040 226 V CB -0.843 30.877 31.823 -0.171 0.000 0.671 226 V HN 0.383 nan 8.190 nan 0.000 0.455 227 F N -0.369 119.536 119.950 -0.075 0.000 2.091 227 F HA -0.259 4.274 4.527 0.011 0.000 0.299 227 F C 2.204 177.922 175.800 -0.138 0.000 1.103 227 F CA 1.974 59.911 58.000 -0.105 0.000 1.228 227 F CB -0.605 38.318 39.000 -0.129 0.000 0.984 227 F HN 0.110 nan 8.300 nan 0.000 0.477 228 L N -0.814 120.466 121.223 0.095 0.000 2.046 228 L HA -0.256 4.090 4.340 0.011 0.000 0.208 228 L C 2.258 179.081 176.870 -0.078 0.000 1.077 228 L CA 1.676 56.555 54.840 0.065 0.000 0.747 228 L CB -1.064 41.118 42.059 0.205 0.000 0.896 228 L HN 0.257 nan 8.230 nan 0.000 0.432 229 Y N 0.086 120.259 120.300 -0.212 0.000 2.165 229 Y HA -0.285 4.272 4.550 0.011 0.000 0.286 229 Y C 2.397 178.141 175.900 -0.259 0.000 1.155 229 Y CA 2.079 60.006 58.100 -0.288 0.000 1.164 229 Y CB -0.283 37.990 38.460 -0.311 0.000 0.978 229 Y HN 0.329 nan 8.280 nan 0.000 0.513 230 N N 0.293 118.832 118.700 -0.269 0.000 2.188 230 N HA -0.122 4.625 4.740 0.011 0.000 0.184 230 N C 1.963 177.212 175.510 -0.435 0.000 1.018 230 N CA 1.323 54.165 53.050 -0.347 0.000 0.858 230 N CB -0.605 37.733 38.487 -0.248 0.000 0.989 230 N HN 0.522 nan 8.380 nan 0.000 0.426 231 A N 0.029 122.541 122.820 -0.512 0.000 1.898 231 A HA 0.015 4.342 4.320 0.011 0.000 0.216 231 A C 0.511 177.512 177.584 -0.972 0.000 1.181 231 A CA 0.928 52.473 52.037 -0.821 0.000 0.620 231 A CB -0.286 18.000 19.000 -1.191 0.000 0.819 231 A HN 0.263 nan 8.150 nan 0.000 0.442 232 F N -1.459 118.176 119.950 -0.524 0.000 2.622 232 F HA 0.319 4.853 4.527 0.011 0.000 0.338 232 F C -2.064 172.984 175.800 -1.254 0.000 1.334 232 F CA -1.799 55.594 58.000 -1.011 0.000 1.179 232 F CB 1.449 39.784 39.000 -1.109 0.000 1.471 232 F HN 0.039 nan 8.300 nan 0.000 0.576 233 P HA -0.197 nan 4.420 nan 0.000 0.218 233 P C 1.484 178.539 177.300 -0.407 0.000 1.146 233 P CA 1.488 64.049 63.100 -0.898 0.000 0.813 233 P CB -0.068 31.306 31.700 -0.543 0.000 0.778 234 W N 0.524 121.805 121.300 -0.032 0.000 2.825 234 W HA 0.085 4.750 4.660 0.010 0.000 0.243 234 W C 1.419 177.987 176.519 0.081 0.000 1.293 234 W CA 0.144 57.510 57.345 0.035 0.000 1.403 234 W CB -1.619 27.849 29.460 0.013 0.000 1.134 234 W HN 0.056 nan 8.180 nan 0.000 0.666 235 I N -0.016 120.498 120.570 -0.093 0.000 2.756 235 I HA 0.129 4.306 4.170 0.011 0.000 0.262 235 I C 2.253 178.500 176.117 0.217 0.000 1.225 235 I CA 1.775 63.113 61.300 0.063 0.000 1.472 235 I CB -1.100 36.847 38.000 -0.087 0.000 1.094 235 I HN -0.122 nan 8.210 nan 0.000 0.454 236 G N 1.882 110.870 108.800 0.314 0.000 2.499 236 G HA2 -0.206 3.761 3.960 0.011 0.000 0.221 236 G HA3 -0.206 3.761 3.960 0.011 0.000 0.221 236 G C 1.568 176.673 174.900 0.342 0.000 1.109 236 G CA 1.126 46.533 45.100 0.511 0.000 0.749 236 G HN 0.550 nan 8.290 nan 0.000 0.568 237 I N 0.359 121.073 120.570 0.239 0.000 2.118 237 I HA -0.128 4.049 4.170 0.011 0.000 0.241 237 I C 1.141 177.306 176.117 0.079 0.000 1.070 237 I CA 0.532 61.917 61.300 0.142 0.000 1.327 237 I CB -0.298 37.781 38.000 0.131 0.000 1.034 237 I HN 0.054 nan 8.210 nan 0.000 0.405 238 L N 2.705 123.990 121.223 0.103 0.000 2.455 238 L HA 0.022 4.369 4.340 0.011 0.000 0.272 238 L C -1.133 175.641 176.870 -0.161 0.000 1.174 238 L CA -1.029 53.775 54.840 -0.061 0.000 0.869 238 L CB -0.085 42.038 42.059 0.106 0.000 1.130 238 L HN 0.007 nan 8.230 nan 0.000 0.474 239 P HA -0.127 nan 4.420 nan 0.000 0.226 239 P C 0.219 177.353 177.300 -0.276 0.000 1.153 239 P CA 0.786 63.663 63.100 -0.371 0.000 0.777 239 P CB 0.046 31.504 31.700 -0.403 0.000 0.794 240 F N 1.042 121.023 119.950 0.051 0.000 2.459 240 F HA 0.445 4.979 4.527 0.011 0.000 0.346 240 F C 1.710 177.568 175.800 0.097 0.000 1.128 240 F CA 0.530 58.565 58.000 0.060 0.000 1.268 240 F CB -0.002 39.047 39.000 0.083 0.000 1.161 240 F HN 0.084 nan 8.300 nan 0.000 0.583 241 G N 2.203 111.154 108.800 0.253 0.000 2.663 241 G HA2 -0.194 3.772 3.960 0.011 0.000 0.686 241 G HA3 -0.194 3.772 3.960 0.011 0.000 0.686 241 G C -0.201 174.704 174.900 0.008 0.000 1.288 241 G CA -0.785 44.438 45.100 0.205 0.000 0.836 241 G HN 0.684 nan 8.290 nan 0.000 0.584 242 K N 0.018 120.433 120.400 0.025 0.000 2.426 242 K HA 0.045 4.371 4.320 0.011 0.000 0.193 242 K C 2.048 178.494 176.600 -0.257 0.000 1.028 242 K CA 0.785 57.010 56.287 -0.103 0.000 1.047 242 K CB -0.061 32.408 32.500 -0.051 0.000 0.821 242 K HN 0.726 nan 8.250 nan 0.000 0.513 243 H N 0.413 119.267 119.070 -0.360 0.000 2.457 243 H HA -0.005 4.558 4.556 0.011 0.000 0.294 243 H C 1.269 175.893 175.328 -1.173 0.000 1.064 243 H CA 0.678 56.256 56.048 -0.784 0.000 1.330 243 H CB 0.123 29.444 29.762 -0.736 0.000 1.395 243 H HN 0.132 nan 8.280 nan 0.000 0.541 244 Q N 1.073 120.175 119.800 -1.162 0.000 2.046 244 Q HA -0.150 4.196 4.340 0.011 0.000 0.200 244 Q C 2.418 178.171 176.000 -0.410 0.000 0.975 244 Q CA 1.198 56.600 55.803 -0.668 0.000 0.836 244 Q CB -0.295 28.167 28.738 -0.460 0.000 0.896 244 Q HN 0.639 nan 8.270 nan 0.000 0.428 245 Q N 0.570 120.161 119.800 -0.349 0.000 2.112 245 Q HA -0.163 4.183 4.340 0.011 0.000 0.206 245 Q C 2.210 178.079 176.000 -0.218 0.000 0.987 245 Q CA 1.084 56.757 55.803 -0.218 0.000 0.858 245 Q CB -0.166 28.470 28.738 -0.170 0.000 0.905 245 Q HN 0.337 nan 8.270 nan 0.000 0.420 246 L N -0.178 120.845 121.223 -0.334 0.000 2.046 246 L HA -0.193 4.154 4.340 0.011 0.000 0.208 246 L C 1.919 178.718 176.870 -0.119 0.000 1.077 246 L CA 1.099 55.781 54.840 -0.263 0.000 0.747 246 L CB -0.183 41.661 42.059 -0.359 0.000 0.896 246 L HN 0.245 nan 8.230 nan 0.000 0.432 247 F N -0.160 119.707 119.950 -0.140 0.000 2.163 247 F HA -0.092 4.442 4.527 0.011 0.000 0.297 247 F C 2.674 178.412 175.800 -0.102 0.000 1.094 247 F CA 0.875 58.798 58.000 -0.129 0.000 1.290 247 F CB -1.052 37.859 39.000 -0.149 0.000 1.017 247 F HN -0.038 nan 8.300 nan 0.000 0.483 248 R N 0.473 121.017 120.500 0.074 0.000 2.097 248 R HA -0.192 4.154 4.340 0.011 0.000 0.236 248 R C 2.070 178.368 176.300 -0.005 0.000 1.135 248 R CA 1.772 57.882 56.100 0.017 0.000 0.934 248 R CB -0.549 29.739 30.300 -0.019 0.000 0.846 248 R HN 0.207 nan 8.270 nan 0.000 0.431 249 N N 0.475 119.152 118.700 -0.038 0.000 2.061 249 N HA -0.196 4.550 4.740 0.011 0.000 0.193 249 N C 1.601 177.064 175.510 -0.079 0.000 1.030 249 N CA 1.741 54.748 53.050 -0.072 0.000 0.856 249 N CB -0.504 37.927 38.487 -0.093 0.000 1.023 249 N HN 0.279 nan 8.380 nan 0.000 0.424 250 A N 0.559 123.352 122.820 -0.044 0.000 1.933 250 A HA 0.053 4.380 4.320 0.011 0.000 0.218 250 A C 2.325 179.913 177.584 0.007 0.000 1.175 250 A CA 1.887 53.896 52.037 -0.047 0.000 0.628 250 A CB -0.744 18.268 19.000 0.019 0.000 0.814 250 A HN 0.340 nan 8.150 nan 0.000 0.444 251 A N -0.608 122.224 122.820 0.020 0.000 1.897 251 A HA 0.065 4.392 4.320 0.011 0.000 0.215 251 A C 2.212 179.842 177.584 0.077 0.000 1.181 251 A CA 1.609 53.670 52.037 0.039 0.000 0.620 251 A CB -0.835 18.172 19.000 0.011 0.000 0.821 251 A HN 0.352 nan 8.150 nan 0.000 0.443 252 V N -0.340 119.596 119.914 0.036 0.000 2.295 252 V HA -0.225 3.902 4.120 0.011 0.000 0.246 252 V C 2.566 178.693 176.094 0.055 0.000 1.049 252 V CA 1.994 64.322 62.300 0.047 0.000 1.024 252 V CB -0.817 31.017 31.823 0.018 0.000 0.648 252 V HN 0.354 nan 8.190 nan 0.000 0.447 253 V N -0.929 118.964 119.914 -0.036 0.000 2.407 253 V HA -0.312 3.815 4.120 0.011 0.000 0.248 253 V C 2.190 178.297 176.094 0.022 0.000 1.055 253 V CA 2.497 64.735 62.300 -0.103 0.000 1.049 253 V CB -0.764 30.818 31.823 -0.402 0.000 0.662 253 V HN 0.679 nan 8.190 nan 0.000 0.455 254 Y N 1.142 121.414 120.300 -0.047 0.000 2.200 254 Y HA -0.264 4.293 4.550 0.011 0.000 0.290 254 Y C 2.344 178.262 175.900 0.029 0.000 1.137 254 Y CA 2.219 60.326 58.100 0.012 0.000 1.163 254 Y CB -0.215 38.270 38.460 0.043 0.000 0.988 254 Y HN 0.410 nan 8.280 nan 0.000 0.518 255 D N -0.630 119.909 120.400 0.232 0.000 2.097 255 D HA -0.262 4.385 4.640 0.011 0.000 0.195 255 D C 2.031 178.357 176.300 0.042 0.000 0.989 255 D CA 1.543 55.624 54.000 0.135 0.000 0.827 255 D CB -0.523 40.359 40.800 0.137 0.000 0.966 255 D HN 0.367 nan 8.370 nan 0.000 0.456 256 F N 0.575 120.499 119.950 -0.043 0.000 2.095 256 F HA -0.120 4.413 4.527 0.011 0.000 0.298 256 F C 1.973 177.724 175.800 -0.083 0.000 1.104 256 F CA 1.302 59.264 58.000 -0.064 0.000 1.232 256 F CB -0.157 38.802 39.000 -0.069 0.000 0.987 256 F HN 0.002 nan 8.300 nan 0.000 0.475 257 L N -0.241 121.056 121.223 0.123 0.000 2.046 257 L HA -0.245 4.101 4.340 0.011 0.000 0.208 257 L C 2.759 179.559 176.870 -0.117 0.000 1.077 257 L CA 1.593 56.462 54.840 0.047 0.000 0.747 257 L CB -1.052 41.042 42.059 0.060 0.000 0.896 257 L HN 0.312 nan 8.230 nan 0.000 0.432 258 S N -0.250 115.305 115.700 -0.242 0.000 2.382 258 S HA -0.173 4.304 4.470 0.011 0.000 0.228 258 S C 2.061 176.555 174.600 -0.176 0.000 1.027 258 S CA 0.658 58.710 58.200 -0.246 0.000 0.991 258 S CB -0.383 62.626 63.200 -0.319 0.000 0.823 258 S HN 0.356 nan 8.310 nan 0.000 0.469 259 R N 0.259 120.635 120.500 -0.206 0.000 2.096 259 R HA 0.061 4.408 4.340 0.011 0.000 0.235 259 R C 2.302 178.444 176.300 -0.265 0.000 1.127 259 R CA 1.263 57.225 56.100 -0.229 0.000 0.968 259 R CB -0.740 29.389 30.300 -0.284 0.000 0.861 259 R HN 0.387 nan 8.270 nan 0.000 0.440 260 L N 1.106 122.124 121.223 -0.343 0.000 2.109 260 L HA -0.054 4.293 4.340 0.011 0.000 0.207 260 L C 2.027 178.806 176.870 -0.152 0.000 1.086 260 L CA 1.446 56.079 54.840 -0.345 0.000 0.760 260 L CB -0.236 41.564 42.059 -0.431 0.000 0.910 260 L HN 0.069 nan 8.230 nan 0.000 0.437 261 I N -0.204 120.350 120.570 -0.027 0.000 2.252 261 I HA -0.242 3.934 4.170 0.011 0.000 0.245 261 I C 2.836 178.962 176.117 0.015 0.000 1.102 261 I CA 1.321 62.667 61.300 0.077 0.000 1.385 261 I CB -0.840 37.192 38.000 0.053 0.000 1.064 261 I HN 0.414 nan 8.210 nan 0.000 0.414 262 E N 1.705 121.880 120.200 -0.042 0.000 2.058 262 E HA -0.286 4.070 4.350 0.011 0.000 0.194 262 E C 2.108 178.692 176.600 -0.028 0.000 0.997 262 E CA 1.809 58.187 56.400 -0.037 0.000 0.801 262 E CB -0.699 28.965 29.700 -0.061 0.000 0.746 262 E HN 0.529 nan 8.360 nan 0.000 0.450 263 K N -0.263 120.100 120.400 -0.061 0.000 2.057 263 K HA 0.058 4.385 4.320 0.011 0.000 0.207 263 K C 2.535 179.134 176.600 -0.002 0.000 1.049 263 K CA 1.027 57.282 56.287 -0.053 0.000 0.931 263 K CB -0.182 32.254 32.500 -0.107 0.000 0.714 263 K HN 0.357 nan 8.250 nan 0.000 0.440 264 A N 1.112 123.943 122.820 0.018 0.000 2.172 264 A HA -0.105 4.222 4.320 0.011 0.000 0.216 264 A C 1.933 179.617 177.584 0.167 0.000 1.154 264 A CA 1.699 53.790 52.037 0.090 0.000 0.701 264 A CB -0.360 18.709 19.000 0.116 0.000 0.789 264 A HN 0.367 nan 8.150 nan 0.000 0.465 265 S N -1.784 113.982 115.700 0.110 0.000 2.524 265 S HA 0.108 4.585 4.470 0.011 0.000 0.215 265 S C 1.419 176.054 174.600 0.059 0.000 0.986 265 S CA 0.614 58.878 58.200 0.106 0.000 0.911 265 S CB -0.132 63.112 63.200 0.074 0.000 0.805 265 S HN 0.116 nan 8.310 nan 0.000 0.501 266 V N 3.302 123.242 119.914 0.043 0.000 2.324 266 V HA -0.159 3.967 4.120 0.011 0.000 0.250 266 V C 1.389 177.495 176.094 0.020 0.000 1.060 266 V CA 1.912 64.225 62.300 0.021 0.000 1.042 266 V CB -0.667 31.162 31.823 0.011 0.000 0.650 266 V HN 0.602 nan 8.190 nan 0.000 0.450 267 N N -0.014 118.705 118.700 0.030 0.000 2.295 267 N HA 0.083 4.830 4.740 0.011 0.000 0.221 267 N C 0.601 176.111 175.510 0.000 0.000 1.129 267 N CA -0.046 53.014 53.050 0.016 0.000 0.836 267 N CB -0.192 38.307 38.487 0.019 0.000 1.040 267 N HN 0.490 nan 8.380 nan 0.000 0.494 268 R N 1.505 122.006 120.500 0.001 0.000 2.623 268 R HA 0.045 4.392 4.340 0.011 0.000 0.271 268 R C -0.358 175.925 176.300 -0.028 0.000 1.043 268 R CA 0.342 56.427 56.100 -0.025 0.000 1.083 268 R CB 0.474 30.768 30.300 -0.010 0.000 0.974 268 R HN -0.117 nan 8.270 nan 0.000 0.436 269 K N 6.414 126.788 120.400 -0.043 0.000 2.473 269 K HA 0.289 4.616 4.320 0.011 0.000 0.246 269 K C -2.377 174.202 176.600 -0.035 0.000 1.011 269 K CA -1.962 54.306 56.287 -0.032 0.000 0.984 269 K CB 1.852 34.336 32.500 -0.027 0.000 1.250 269 K HN 0.532 nan 8.250 nan 0.000 0.454 270 P HA -0.142 nan 4.420 nan 0.000 0.263 270 P C 0.639 177.915 177.300 -0.040 0.000 1.175 270 P CA 1.030 64.106 63.100 -0.039 0.000 0.761 270 P CB 0.660 32.339 31.700 -0.035 0.000 0.794 271 Q N -1.082 118.687 119.800 -0.051 0.000 2.301 271 Q HA -0.242 4.105 4.340 0.011 0.000 0.163 271 Q C 0.458 176.439 176.000 -0.032 0.000 0.576 271 Q CA 1.891 57.664 55.803 -0.051 0.000 1.368 271 Q CB -2.804 25.906 28.738 -0.045 0.000 1.325 271 Q HN 0.738 nan 8.270 nan 0.000 0.946 272 L N 0.505 121.716 121.223 -0.019 0.000 2.679 272 L HA 0.742 5.088 4.340 0.011 0.000 0.238 272 L C -1.822 175.056 176.870 0.014 0.000 1.330 272 L CA -1.079 53.766 54.840 0.008 0.000 0.935 272 L CB 0.551 42.611 42.059 0.003 0.000 1.243 272 L HN 0.471 nan 8.230 nan 0.000 0.484 273 P HA 0.271 nan 4.420 nan 0.000 0.276 273 P C -0.172 177.129 177.300 0.003 0.000 1.230 273 P CA 0.025 63.130 63.100 0.009 0.000 0.776 273 P CB 1.623 33.404 31.700 0.135 0.000 0.888 274 Q N 1.297 120.874 119.800 -0.372 0.000 2.356 274 Q HA 0.060 4.407 4.340 0.011 0.000 0.205 274 Q C 0.178 175.693 176.000 -0.808 0.000 0.901 274 Q CA 0.873 56.419 55.803 -0.428 0.000 0.938 274 Q CB -0.010 28.489 28.738 -0.398 0.000 1.081 274 Q HN 0.772 nan 8.270 nan 0.000 0.517 275 H N -5.772 112.670 119.070 -1.047 0.000 2.876 275 H HA 0.088 4.651 4.556 0.011 0.000 0.284 275 H C 0.093 174.871 175.328 -0.917 0.000 1.445 275 H CA -0.940 54.306 56.048 -1.336 0.000 1.141 275 H CB -0.541 28.913 29.762 -0.514 0.000 1.816 275 H HN -0.175 nan 8.280 nan 0.000 0.511 276 F N 0.947 120.706 119.950 -0.320 0.000 2.091 276 F HA -0.200 4.334 4.527 0.010 0.000 0.299 276 F C 1.696 177.572 175.800 0.127 0.000 1.103 276 F CA 2.381 60.401 58.000 0.033 0.000 1.228 276 F CB -0.360 38.652 39.000 0.020 0.000 0.984 276 F HN 0.292 nan 8.300 nan 0.000 0.477 277 V N 0.543 120.572 119.914 0.191 0.000 2.255 277 V HA -0.345 3.782 4.120 0.011 0.000 0.247 277 V C 2.168 178.329 176.094 0.112 0.000 1.051 277 V CA 2.298 64.675 62.300 0.128 0.000 1.018 277 V CB -0.801 31.094 31.823 0.120 0.000 0.641 277 V HN 0.283 nan 8.190 nan 0.000 0.445 278 D N 0.390 120.897 120.400 0.178 0.000 2.116 278 D HA -0.174 4.473 4.640 0.011 0.000 0.193 278 D C 2.202 178.466 176.300 -0.060 0.000 0.998 278 D CA 1.813 55.796 54.000 -0.029 0.000 0.836 278 D CB -0.446 40.193 40.800 -0.269 0.000 0.951 278 D HN 0.452 nan 8.370 nan 0.000 0.449 279 A N -0.317 122.468 122.820 -0.058 0.000 1.933 279 A HA -0.215 4.112 4.320 0.011 0.000 0.218 279 A C 2.198 179.636 177.584 -0.243 0.000 1.175 279 A CA 1.214 53.205 52.037 -0.076 0.000 0.628 279 A CB -0.984 18.068 19.000 0.087 0.000 0.814 279 A HN 0.350 nan 8.150 nan 0.000 0.444 280 Y N 0.282 120.332 120.300 -0.416 0.000 2.163 280 Y HA -0.139 4.418 4.550 0.011 0.000 0.288 280 Y C 2.088 177.798 175.900 -0.316 0.000 1.136 280 Y CA 1.861 59.697 58.100 -0.440 0.000 1.147 280 Y CB -0.164 38.052 38.460 -0.407 0.000 0.987 280 Y HN 0.225 nan 8.280 nan 0.000 0.509 281 L N -0.315 120.926 121.223 0.030 0.000 2.046 281 L HA -0.264 4.082 4.340 0.011 0.000 0.208 281 L C 2.048 178.850 176.870 -0.112 0.000 1.077 281 L CA 1.425 56.267 54.840 0.003 0.000 0.747 281 L CB -0.692 41.380 42.059 0.022 0.000 0.896 281 L HN 0.209 nan 8.230 nan 0.000 0.432 282 D N 0.082 120.392 120.400 -0.151 0.000 2.126 282 D HA -0.211 4.436 4.640 0.011 0.000 0.190 282 D C 2.180 178.309 176.300 -0.285 0.000 1.001 282 D CA 1.274 55.164 54.000 -0.184 0.000 0.841 282 D CB -0.149 40.545 40.800 -0.176 0.000 0.949 282 D HN 0.324 nan 8.370 nan 0.000 0.446 283 E N -0.142 119.764 120.200 -0.488 0.000 2.110 283 E HA -0.123 4.234 4.350 0.011 0.000 0.193 283 E C 2.283 178.516 176.600 -0.612 0.000 0.988 283 E CA 0.549 56.477 56.400 -0.787 0.000 0.804 283 E CB -0.222 28.471 29.700 -1.679 0.000 0.745 283 E HN 0.429 nan 8.360 nan 0.000 0.458 284 M N 0.731 120.079 119.600 -0.419 0.000 2.132 284 M HA -0.157 4.329 4.480 0.011 0.000 0.263 284 M C 1.617 177.863 176.300 -0.091 0.000 1.065 284 M CA 1.267 56.482 55.300 -0.142 0.000 1.122 284 M CB -0.154 32.447 32.600 0.001 0.000 1.365 284 M HN -0.107 nan 8.290 nan 0.000 0.411 285 D N 0.185 120.522 120.400 -0.106 0.000 2.178 285 D HA -0.144 4.503 4.640 0.011 0.000 0.202 285 D C 1.827 178.079 176.300 -0.080 0.000 0.974 285 D CA 1.127 55.083 54.000 -0.074 0.000 0.841 285 D CB -0.275 40.483 40.800 -0.070 0.000 0.953 285 D HN 0.454 nan 8.370 nan 0.000 0.478 286 Q N -0.601 119.126 119.800 -0.122 0.000 2.488 286 Q HA 0.093 4.440 4.340 0.011 0.000 0.211 286 Q C 1.171 177.128 176.000 -0.070 0.000 0.967 286 Q CA 0.770 56.510 55.803 -0.105 0.000 0.926 286 Q CB 0.392 29.042 28.738 -0.146 0.000 0.992 286 Q HN 0.184 nan 8.270 nan 0.000 0.506 287 G N -0.761 108.006 108.800 -0.055 0.000 3.969 287 G HA2 0.119 4.086 3.960 0.011 0.000 0.291 287 G HA3 0.119 4.086 3.960 0.011 0.000 0.291 287 G C 1.059 175.968 174.900 0.016 0.000 1.016 287 G CA 0.176 45.276 45.100 -0.001 0.000 0.819 287 G HN 0.180 nan 8.290 nan 0.000 0.493 288 K N 0.752 121.153 120.400 0.001 0.000 2.211 288 K HA -0.032 4.295 4.320 0.011 0.000 0.203 288 K C 1.953 178.561 176.600 0.014 0.000 1.050 288 K CA 1.412 57.706 56.287 0.012 0.000 0.945 288 K CB -0.581 31.921 32.500 0.003 0.000 0.732 288 K HN 0.288 nan 8.250 nan 0.000 0.451 289 N N 1.026 119.731 118.700 0.008 0.000 2.216 289 N HA -0.074 4.672 4.740 0.011 0.000 0.183 289 N C 0.137 175.656 175.510 0.015 0.000 1.017 289 N CA 0.674 53.729 53.050 0.009 0.000 0.861 289 N CB -0.216 38.273 38.487 0.003 0.000 0.986 289 N HN 0.536 nan 8.380 nan 0.000 0.428 290 D N 1.497 121.909 120.400 0.019 0.000 2.339 290 D HA 0.075 4.722 4.640 0.011 0.000 0.256 290 D C -1.665 174.655 176.300 0.034 0.000 1.214 290 D CA -1.693 52.322 54.000 0.025 0.000 0.877 290 D CB 1.405 42.222 40.800 0.030 0.000 1.111 290 D HN 0.139 nan 8.370 nan 0.000 0.478 291 P HA 0.005 nan 4.420 nan 0.000 0.249 291 P C 0.591 177.914 177.300 0.038 0.000 1.229 291 P CA 0.223 63.344 63.100 0.035 0.000 0.788 291 P CB 0.207 31.925 31.700 0.029 0.000 1.072 292 S N -2.328 113.393 115.700 0.035 0.000 2.557 292 S HA 0.119 4.596 4.470 0.011 0.000 0.223 292 S C 0.899 175.519 174.600 0.034 0.000 0.969 292 S CA -0.349 57.871 58.200 0.033 0.000 0.927 292 S CB -0.768 62.447 63.200 0.024 0.000 0.806 292 S HN 0.032 nan 8.310 nan 0.000 0.489 293 S N 2.655 118.385 115.700 0.050 0.000 2.544 293 S HA 0.117 4.594 4.470 0.011 0.000 0.290 293 S C 1.524 176.153 174.600 0.048 0.000 1.276 293 S CA 0.425 58.667 58.200 0.070 0.000 1.075 293 S CB 0.445 63.718 63.200 0.123 0.000 0.849 293 S HN 0.637 nan 8.310 nan 0.000 0.494 294 T N 3.286 117.801 114.554 -0.065 0.000 3.023 294 T HA 0.133 4.489 4.350 0.011 0.000 0.266 294 T C 0.460 175.148 174.700 -0.019 0.000 1.093 294 T CA 0.213 62.266 62.100 -0.080 0.000 1.129 294 T CB -0.467 68.304 68.868 -0.160 0.000 0.899 294 T HN 0.484 nan 8.240 nan 0.000 0.491 295 F N 3.492 123.469 119.950 0.045 0.000 2.495 295 F HA 0.491 5.026 4.527 0.013 0.000 0.365 295 F C 1.067 176.997 175.800 0.217 0.000 1.090 295 F CA -0.372 57.663 58.000 0.058 0.000 1.235 295 F CB 0.617 39.411 39.000 -0.343 0.000 1.119 295 F HN 0.284 nan 8.300 nan 0.000 0.562 296 S N 0.681 116.717 115.700 0.561 0.000 2.615 296 S HA 0.624 5.100 4.470 0.011 0.000 0.269 296 S C 0.420 175.171 174.600 0.253 0.000 1.161 296 S CA -0.484 57.917 58.200 0.336 0.000 0.817 296 S CB 1.490 64.821 63.200 0.219 0.000 1.131 296 S HN 0.608 nan 8.310 nan 0.000 0.467 297 K N 0.015 120.484 120.400 0.115 0.000 2.063 297 K HA 0.066 4.393 4.320 0.011 0.000 0.208 297 K C 2.443 178.971 176.600 -0.119 0.000 1.048 297 K CA 2.577 58.861 56.287 -0.005 0.000 0.928 297 K CB -2.160 30.339 32.500 -0.000 0.000 0.713 297 K HN 1.042 nan 8.250 nan 0.000 0.442 298 E N 1.810 121.952 120.200 -0.096 0.000 2.051 298 E HA -0.218 4.139 4.350 0.011 0.000 0.192 298 E C 2.109 178.395 176.600 -0.524 0.000 0.991 298 E CA 1.466 57.683 56.400 -0.306 0.000 0.799 298 E CB -0.774 28.874 29.700 -0.086 0.000 0.748 298 E HN 0.672 nan 8.360 nan 0.000 0.449 299 N N -0.143 118.510 118.700 -0.078 0.000 2.396 299 N HA -0.047 4.699 4.740 0.011 0.000 0.180 299 N C 1.755 177.291 175.510 0.043 0.000 1.028 299 N CA 1.122 54.247 53.050 0.125 0.000 0.893 299 N CB -0.018 38.688 38.487 0.364 0.000 0.967 299 N HN 0.389 nan 8.380 nan 0.000 0.440 300 L N 1.099 122.156 121.223 -0.276 0.000 2.027 300 L HA 0.057 4.404 4.340 0.011 0.000 0.206 300 L C 1.864 178.577 176.870 -0.261 0.000 1.074 300 L CA 1.239 55.671 54.840 -0.681 0.000 0.745 300 L CB -0.689 40.852 42.059 -0.864 0.000 0.898 300 L HN 0.024 nan 8.230 nan 0.000 0.433 301 I N -1.041 119.347 120.570 -0.304 0.000 2.163 301 I HA -0.326 3.850 4.170 0.011 0.000 0.243 301 I C 2.185 178.272 176.117 -0.050 0.000 1.085 301 I CA 1.417 62.551 61.300 -0.277 0.000 1.347 301 I CB -0.399 37.246 38.000 -0.591 0.000 1.044 301 I HN 0.175 nan 8.210 nan 0.000 0.408 302 F N 0.893 120.888 119.950 0.074 0.000 2.163 302 F HA -0.179 4.355 4.527 0.011 0.000 0.297 302 F C 2.978 178.845 175.800 0.113 0.000 1.094 302 F CA 1.233 59.300 58.000 0.111 0.000 1.290 302 F CB -1.573 37.487 39.000 0.099 0.000 1.017 302 F HN 0.139 nan 8.300 nan 0.000 0.483 303 S N 0.011 115.880 115.700 0.281 0.000 2.368 303 S HA -0.142 4.334 4.470 0.011 0.000 0.225 303 S C 2.140 176.839 174.600 0.165 0.000 1.030 303 S CA 1.370 59.725 58.200 0.258 0.000 0.999 303 S CB -1.222 62.258 63.200 0.467 0.000 0.844 303 S HN 0.138 nan 8.310 nan 0.000 0.459 304 V N 2.585 122.604 119.914 0.174 0.000 2.287 304 V HA -0.086 4.041 4.120 0.011 0.000 0.248 304 V C 2.956 179.151 176.094 0.168 0.000 1.053 304 V CA 1.996 64.358 62.300 0.102 0.000 1.027 304 V CB -1.714 30.199 31.823 0.149 0.000 0.646 304 V HN 0.668 nan 8.190 nan 0.000 0.447 305 G N -0.880 108.084 108.800 0.275 0.000 2.418 305 G HA2 -0.247 3.720 3.960 0.011 0.000 0.217 305 G HA3 -0.247 3.720 3.960 0.011 0.000 0.217 305 G C 1.468 176.568 174.900 0.333 0.000 1.158 305 G CA 0.936 46.317 45.100 0.468 0.000 0.771 305 G HN 0.572 nan 8.290 nan 0.000 0.545 306 E N -0.066 120.271 120.200 0.228 0.000 2.077 306 E HA -0.047 4.309 4.350 0.011 0.000 0.193 306 E C 2.594 179.180 176.600 -0.023 0.000 0.989 306 E CA 0.617 57.062 56.400 0.074 0.000 0.800 306 E CB -0.181 29.567 29.700 0.079 0.000 0.746 306 E HN 0.396 nan 8.360 nan 0.000 0.452 307 L N 0.639 121.856 121.223 -0.010 0.000 2.046 307 L HA -0.192 4.155 4.340 0.011 0.000 0.208 307 L C 2.448 179.328 176.870 0.017 0.000 1.077 307 L CA 0.923 55.746 54.840 -0.028 0.000 0.747 307 L CB -0.371 41.651 42.059 -0.060 0.000 0.896 307 L HN 0.172 nan 8.230 nan 0.000 0.432 308 I N -0.470 120.126 120.570 0.043 0.000 2.127 308 I HA -0.330 3.846 4.170 0.011 0.000 0.241 308 I C 2.489 178.566 176.117 -0.067 0.000 1.075 308 I CA 1.508 62.859 61.300 0.084 0.000 1.334 308 I CB -0.164 37.971 38.000 0.224 0.000 1.040 308 I HN 0.197 nan 8.210 nan 0.000 0.405 309 I N 0.707 121.088 120.570 -0.315 0.000 2.353 309 I HA -0.152 4.025 4.170 0.011 0.000 0.248 309 I C 2.499 178.456 176.117 -0.267 0.000 1.119 309 I CA 1.287 62.281 61.300 -0.510 0.000 1.417 309 I CB -0.402 36.826 38.000 -1.286 0.000 1.078 309 I HN 0.123 nan 8.210 nan 0.000 0.421 310 A N 0.046 122.757 122.820 -0.182 0.000 1.908 310 A HA -0.109 4.218 4.320 0.011 0.000 0.218 310 A C 2.396 179.957 177.584 -0.039 0.000 1.181 310 A CA 1.817 53.796 52.037 -0.098 0.000 0.627 310 A CB -1.593 17.363 19.000 -0.073 0.000 0.818 310 A HN 0.470 nan 8.150 nan 0.000 0.445 311 G N -1.612 107.184 108.800 -0.006 0.000 2.396 311 G HA2 -0.028 3.939 3.960 0.011 0.000 0.214 311 G HA3 -0.028 3.939 3.960 0.011 0.000 0.214 311 G C 1.574 176.493 174.900 0.032 0.000 1.166 311 G CA 1.511 46.642 45.100 0.052 0.000 0.793 311 G HN 0.427 nan 8.290 nan 0.000 0.533 312 T N 0.714 115.271 114.554 0.005 0.000 2.701 312 T HA -0.033 4.323 4.350 0.011 0.000 0.263 312 T C 2.208 176.885 174.700 -0.038 0.000 1.040 312 T CA 1.162 63.258 62.100 -0.006 0.000 1.147 312 T CB -0.109 68.763 68.868 0.006 0.000 0.865 312 T HN 0.121 nan 8.240 nan 0.000 0.426 313 E N 0.849 121.008 120.200 -0.068 0.000 2.077 313 E HA -0.117 4.239 4.350 0.011 0.000 0.193 313 E C 2.699 179.282 176.600 -0.027 0.000 0.989 313 E CA 1.744 58.108 56.400 -0.061 0.000 0.800 313 E CB -0.381 29.268 29.700 -0.085 0.000 0.746 313 E HN 0.703 nan 8.360 nan 0.000 0.452 314 T N -1.459 113.086 114.554 -0.016 0.000 2.639 314 T HA -0.091 4.266 4.350 0.011 0.000 0.261 314 T C 2.124 176.840 174.700 0.027 0.000 1.053 314 T CA 1.874 63.979 62.100 0.009 0.000 1.158 314 T CB -0.917 67.960 68.868 0.016 0.000 0.863 314 T HN -0.041 nan 8.240 nan 0.000 0.413 315 T N 1.899 116.473 114.554 0.034 0.000 2.720 315 T HA -0.104 4.253 4.350 0.011 0.000 0.268 315 T C 2.246 176.945 174.700 -0.003 0.000 1.037 315 T CA 1.819 63.941 62.100 0.037 0.000 1.144 315 T CB -1.101 67.799 68.868 0.053 0.000 0.864 315 T HN 0.509 nan 8.240 nan 0.000 0.444 316 T N 2.553 117.087 114.554 -0.034 0.000 2.665 316 T HA -0.137 4.219 4.350 0.011 0.000 0.268 316 T C 2.022 176.708 174.700 -0.022 0.000 1.035 316 T CA 1.196 63.259 62.100 -0.061 0.000 1.151 316 T CB -0.344 68.483 68.868 -0.069 0.000 0.862 316 T HN 0.355 nan 8.240 nan 0.000 0.438 317 N N 0.647 119.351 118.700 0.007 0.000 2.250 317 N HA -0.004 4.742 4.740 0.011 0.000 0.181 317 N C 2.030 177.636 175.510 0.160 0.000 1.017 317 N CA 0.564 53.633 53.050 0.033 0.000 0.866 317 N CB -0.621 37.911 38.487 0.075 0.000 0.985 317 N HN 0.201 nan 8.380 nan 0.000 0.429 318 V N 2.048 122.054 119.914 0.153 0.000 2.282 318 V HA -0.225 3.902 4.120 0.011 0.000 0.249 318 V C 2.374 178.552 176.094 0.140 0.000 1.057 318 V CA 1.442 63.834 62.300 0.153 0.000 1.032 318 V CB -0.547 31.311 31.823 0.059 0.000 0.645 318 V HN 0.238 nan 8.190 nan 0.000 0.447 319 L N -0.967 120.311 121.223 0.091 0.000 2.109 319 L HA -0.099 4.247 4.340 0.011 0.000 0.207 319 L C 2.762 179.712 176.870 0.134 0.000 1.086 319 L CA 1.358 56.264 54.840 0.110 0.000 0.760 319 L CB -0.529 41.569 42.059 0.065 0.000 0.910 319 L HN 0.223 nan 8.230 nan 0.000 0.437 320 R N -0.857 119.689 120.500 0.076 0.000 2.081 320 R HA -0.181 4.166 4.340 0.011 0.000 0.235 320 R C 2.139 178.495 176.300 0.093 0.000 1.131 320 R CA 1.878 58.010 56.100 0.054 0.000 0.960 320 R CB -0.422 29.829 30.300 -0.082 0.000 0.856 320 R HN 0.370 nan 8.270 nan 0.000 0.436 321 W N 0.683 122.064 121.300 0.136 0.000 2.379 321 W HA -0.121 4.546 4.660 0.011 0.000 0.307 321 W C 2.629 179.257 176.519 0.183 0.000 1.200 321 W CA 0.813 58.252 57.345 0.156 0.000 1.297 321 W CB -0.258 29.263 29.460 0.102 0.000 1.140 321 W HN 0.176 nan 8.180 nan 0.000 0.507 322 A N 0.417 123.432 122.820 0.325 0.000 1.877 322 A HA -0.203 4.123 4.320 0.011 0.000 0.216 322 A C 1.818 179.588 177.584 0.309 0.000 1.186 322 A CA 1.773 53.938 52.037 0.214 0.000 0.620 322 A CB -1.017 17.965 19.000 -0.030 0.000 0.822 322 A HN 0.302 nan 8.150 nan 0.000 0.443 323 I N -0.901 119.819 120.570 0.251 0.000 2.208 323 I HA -0.241 3.935 4.170 0.011 0.000 0.245 323 I C 2.426 178.554 176.117 0.019 0.000 1.097 323 I CA 1.160 62.532 61.300 0.120 0.000 1.363 323 I CB -0.293 37.685 38.000 -0.036 0.000 1.051 323 I HN 0.365 nan 8.210 nan 0.000 0.413 324 L N 0.382 121.625 121.223 0.034 0.000 2.046 324 L HA -0.192 4.154 4.340 0.011 0.000 0.208 324 L C 2.169 178.962 176.870 -0.128 0.000 1.077 324 L CA 1.998 56.734 54.840 -0.174 0.000 0.747 324 L CB -0.751 41.105 42.059 -0.339 0.000 0.896 324 L HN 0.056 nan 8.230 nan 0.000 0.432 325 F N -1.744 118.169 119.950 -0.061 0.000 2.259 325 F HA -0.178 4.356 4.527 0.011 0.000 0.298 325 F C 2.254 178.058 175.800 0.007 0.000 1.088 325 F CA 0.726 58.664 58.000 -0.103 0.000 1.358 325 F CB -0.237 38.603 39.000 -0.267 0.000 1.040 325 F HN 0.076 nan 8.300 nan 0.000 0.505 326 M N -0.338 119.382 119.600 0.200 0.000 2.175 326 M HA -0.072 4.415 4.480 0.011 0.000 0.264 326 M C 2.514 178.770 176.300 -0.074 0.000 1.063 326 M CA 1.399 56.792 55.300 0.155 0.000 1.119 326 M CB -1.725 30.985 32.600 0.184 0.000 1.377 326 M HN 0.141 nan 8.290 nan 0.000 0.415 327 A N -0.288 122.340 122.820 -0.320 0.000 1.969 327 A HA -0.104 4.223 4.320 0.011 0.000 0.218 327 A C 2.205 179.366 177.584 -0.704 0.000 1.169 327 A CA 1.144 52.760 52.037 -0.702 0.000 0.635 327 A CB -0.697 17.521 19.000 -1.304 0.000 0.810 327 A HN 0.411 nan 8.150 nan 0.000 0.445 328 L N -2.009 118.905 121.223 -0.514 0.000 2.131 328 L HA 0.113 4.460 4.340 0.011 0.000 0.206 328 L C 0.201 176.798 176.870 -0.455 0.000 1.087 328 L CA 1.298 55.883 54.840 -0.425 0.000 0.767 328 L CB -0.256 41.399 42.059 -0.673 0.000 0.917 328 L HN 0.421 nan 8.230 nan 0.000 0.441 329 Y N 0.440 120.761 120.300 0.036 0.000 2.915 329 Y HA 0.345 4.902 4.550 0.011 0.000 0.350 329 Y C -1.528 174.441 175.900 0.115 0.000 1.061 329 Y CA -2.097 56.071 58.100 0.113 0.000 1.179 329 Y CB 0.244 38.831 38.460 0.212 0.000 1.180 329 Y HN 0.105 nan 8.280 nan 0.000 0.605 330 P HA -0.166 nan 4.420 nan 0.000 0.221 330 P C 0.598 178.014 177.300 0.193 0.000 1.145 330 P CA 1.391 64.599 63.100 0.180 0.000 0.795 330 P CB 0.517 32.321 31.700 0.173 0.000 0.775 331 N N -0.090 118.728 118.700 0.197 0.000 2.270 331 N HA -0.029 4.718 4.740 0.011 0.000 0.181 331 N C 1.930 177.549 175.510 0.181 0.000 1.016 331 N CA 0.818 53.961 53.050 0.155 0.000 0.870 331 N CB -0.588 37.977 38.487 0.131 0.000 0.979 331 N HN 0.273 nan 8.380 nan 0.000 0.431 332 I N 0.962 121.692 120.570 0.267 0.000 2.286 332 I HA -0.214 3.963 4.170 0.011 0.000 0.245 332 I C 2.549 178.876 176.117 0.350 0.000 1.104 332 I CA 0.819 62.333 61.300 0.357 0.000 1.397 332 I CB -0.286 37.964 38.000 0.416 0.000 1.072 332 I HN 0.166 nan 8.210 nan 0.000 0.417 333 Q N 1.215 121.185 119.800 0.283 0.000 2.096 333 Q HA -0.191 4.155 4.340 0.011 0.000 0.204 333 Q C 2.232 178.333 176.000 0.168 0.000 0.982 333 Q CA 2.070 58.003 55.803 0.217 0.000 0.850 333 Q CB -0.266 28.568 28.738 0.160 0.000 0.901 333 Q HN 0.562 nan 8.270 nan 0.000 0.422 334 G N 0.156 109.046 108.800 0.149 0.000 2.422 334 G HA2 -0.315 3.651 3.960 0.011 0.000 0.218 334 G HA3 -0.315 3.651 3.960 0.011 0.000 0.218 334 G C 1.307 176.242 174.900 0.057 0.000 1.146 334 G CA 0.927 46.083 45.100 0.094 0.000 0.769 334 G HN 0.327 nan 8.290 nan 0.000 0.547 335 Q N 0.349 120.175 119.800 0.044 0.000 2.079 335 Q HA -0.031 4.315 4.340 0.011 0.000 0.200 335 Q C 2.644 178.657 176.000 0.021 0.000 0.974 335 Q CA 1.419 57.171 55.803 -0.086 0.000 0.840 335 Q CB -0.578 27.949 28.738 -0.353 0.000 0.898 335 Q HN 0.255 nan 8.270 nan 0.000 0.430 336 V N 0.763 120.811 119.914 0.223 0.000 2.287 336 V HA -0.331 3.795 4.120 0.011 0.000 0.248 336 V C 2.277 178.429 176.094 0.097 0.000 1.053 336 V CA 2.365 64.811 62.300 0.244 0.000 1.027 336 V CB -0.641 31.333 31.823 0.250 0.000 0.646 336 V HN 0.473 nan 8.190 nan 0.000 0.447 337 Q N -0.404 119.434 119.800 0.063 0.000 2.119 337 Q HA -0.225 4.122 4.340 0.011 0.000 0.201 337 Q C 2.340 178.369 176.000 0.048 0.000 0.972 337 Q CA 1.618 57.444 55.803 0.038 0.000 0.847 337 Q CB -0.235 28.527 28.738 0.040 0.000 0.903 337 Q HN 0.631 nan 8.270 nan 0.000 0.433 338 K N 1.340 121.763 120.400 0.037 0.000 2.032 338 K HA -0.261 4.066 4.320 0.011 0.000 0.209 338 K C 1.897 178.512 176.600 0.024 0.000 1.048 338 K CA 1.677 57.977 56.287 0.022 0.000 0.927 338 K CB -0.002 32.490 32.500 -0.012 0.000 0.712 338 K HN 0.140 nan 8.250 nan 0.000 0.441 339 E N 0.296 120.517 120.200 0.034 0.000 2.110 339 E HA -0.172 4.185 4.350 0.011 0.000 0.193 339 E C 1.983 178.619 176.600 0.059 0.000 0.988 339 E CA 1.281 57.712 56.400 0.053 0.000 0.804 339 E CB -0.031 29.731 29.700 0.103 0.000 0.745 339 E HN 0.379 nan 8.360 nan 0.000 0.458 340 I N 1.185 121.788 120.570 0.054 0.000 2.142 340 I HA -0.274 3.903 4.170 0.011 0.000 0.240 340 I C 1.993 178.136 176.117 0.044 0.000 1.078 340 I CA 1.185 62.510 61.300 0.042 0.000 1.343 340 I CB -0.286 37.721 38.000 0.010 0.000 1.046 340 I HN 0.076 nan 8.210 nan 0.000 0.405 341 D N 0.905 121.336 120.400 0.051 0.000 2.116 341 D HA -0.176 4.471 4.640 0.011 0.000 0.193 341 D C 2.294 178.608 176.300 0.022 0.000 0.998 341 D CA 1.478 55.507 54.000 0.048 0.000 0.836 341 D CB -0.323 40.515 40.800 0.063 0.000 0.951 341 D HN 0.291 nan 8.370 nan 0.000 0.449 342 L N -0.021 121.214 121.223 0.020 0.000 2.095 342 L HA -0.071 4.276 4.340 0.011 0.000 0.204 342 L C 2.150 179.030 176.870 0.017 0.000 1.080 342 L CA 0.510 55.357 54.840 0.010 0.000 0.759 342 L CB -0.080 41.982 42.059 0.004 0.000 0.914 342 L HN 0.043 nan 8.230 nan 0.000 0.439 343 I N -1.070 119.519 120.570 0.031 0.000 2.867 343 I HA -0.064 4.112 4.170 0.011 0.000 0.265 343 I C 2.177 178.322 176.117 0.046 0.000 1.162 343 I CA 1.379 62.702 61.300 0.039 0.000 1.471 343 I CB -0.468 37.565 38.000 0.055 0.000 1.123 343 I HN 0.284 nan 8.210 nan 0.000 0.440 344 M N -0.283 119.347 119.600 0.050 0.000 2.545 344 M HA 0.300 4.786 4.480 0.011 0.000 0.264 344 M C 0.676 176.997 176.300 0.035 0.000 1.155 344 M CA 0.486 55.818 55.300 0.052 0.000 1.162 344 M CB 0.657 33.291 32.600 0.058 0.000 1.330 344 M HN 0.278 nan 8.290 nan 0.000 0.479 345 G N 0.570 109.387 108.800 0.027 0.000 2.784 345 G HA2 -0.094 3.872 3.960 0.011 0.000 0.686 345 G HA3 -0.094 3.872 3.960 0.011 0.000 0.686 345 G C -2.655 172.260 174.900 0.026 0.000 1.156 345 G CA -1.184 43.925 45.100 0.015 0.000 0.757 345 G HN 0.008 nan 8.290 nan 0.000 0.642 346 P HA -0.090 nan 4.420 nan 0.000 0.217 346 P C 1.153 178.501 177.300 0.079 0.000 1.148 346 P CA 1.753 64.889 63.100 0.060 0.000 0.834 346 P CB 0.070 31.739 31.700 -0.052 0.000 0.783 347 N N -2.313 116.414 118.700 0.044 0.000 2.238 347 N HA 0.204 4.950 4.740 0.011 0.000 0.235 347 N C 0.390 175.916 175.510 0.026 0.000 1.209 347 N CA -0.103 52.971 53.050 0.041 0.000 0.879 347 N CB 0.379 38.895 38.487 0.048 0.000 1.136 347 N HN -0.021 nan 8.380 nan 0.000 0.517 348 G N -0.209 108.606 108.800 0.026 0.000 2.476 348 G HA2 0.153 4.120 3.960 0.011 0.000 0.269 348 G HA3 0.153 4.120 3.960 0.011 0.000 0.269 348 G C -0.248 174.669 174.900 0.028 0.000 1.195 348 G CA -0.390 44.725 45.100 0.025 0.000 0.843 348 G HN -0.012 nan 8.290 nan 0.000 0.545 349 K N 2.466 122.883 120.400 0.029 0.000 2.349 349 K HA 0.266 4.592 4.320 0.011 0.000 0.289 349 K C -2.106 174.526 176.600 0.054 0.000 1.064 349 K CA -0.971 55.334 56.287 0.030 0.000 0.947 349 K CB 0.909 33.424 32.500 0.025 0.000 1.007 349 K HN 0.507 nan 8.250 nan 0.000 0.478 350 P HA 0.050 nan 4.420 nan 0.000 0.265 350 P C -0.449 176.946 177.300 0.159 0.000 1.187 350 P CA 0.228 63.389 63.100 0.101 0.000 0.766 350 P CB 0.574 32.305 31.700 0.051 0.000 0.820 351 S N 1.940 117.790 115.700 0.251 0.000 2.549 351 S HA 0.250 4.727 4.470 0.011 0.000 0.280 351 S C 0.278 175.105 174.600 0.379 0.000 1.109 351 S CA -0.833 57.524 58.200 0.261 0.000 0.905 351 S CB 0.504 63.803 63.200 0.164 0.000 1.081 351 S HN 0.678 nan 8.310 nan 0.000 0.477 352 W N 3.221 124.585 121.300 0.106 0.000 2.374 352 W HA -0.112 4.554 4.660 0.011 0.000 0.288 352 W C 0.229 176.681 176.519 -0.111 0.000 1.218 352 W CA 1.461 58.793 57.345 -0.022 0.000 1.245 352 W CB -0.037 29.421 29.460 -0.005 0.000 1.126 352 W HN 0.786 nan 8.180 nan 0.000 0.545 353 D N 0.503 120.881 120.400 -0.038 0.000 2.264 353 D HA -0.164 4.482 4.640 0.011 0.000 0.208 353 D C 1.309 177.507 176.300 -0.169 0.000 0.966 353 D CA 1.278 55.188 54.000 -0.150 0.000 0.864 353 D CB -0.741 40.051 40.800 -0.013 0.000 0.933 353 D HN 0.137 nan 8.370 nan 0.000 0.499 354 D N 0.417 120.775 120.400 -0.069 0.000 2.392 354 D HA -0.103 4.544 4.640 0.011 0.000 0.228 354 D C 1.770 178.004 176.300 -0.110 0.000 1.003 354 D CA 0.288 54.284 54.000 -0.006 0.000 0.917 354 D CB 0.049 40.956 40.800 0.179 0.000 0.890 354 D HN 0.320 nan 8.370 nan 0.000 0.532 355 K N 0.892 121.017 120.400 -0.458 0.000 2.002 355 K HA -0.156 4.171 4.320 0.011 0.000 0.209 355 K C 1.979 178.359 176.600 -0.367 0.000 1.048 355 K CA 1.602 57.460 56.287 -0.715 0.000 0.930 355 K CB -0.063 31.679 32.500 -1.264 0.000 0.714 355 K HN 0.291 nan 8.250 nan 0.000 0.438 356 C N 0.489 119.607 119.300 -0.304 0.000 2.472 356 C HA 0.175 4.642 4.460 0.011 0.000 0.278 356 C C 1.657 176.602 174.990 -0.076 0.000 1.447 356 C CA -0.159 58.762 59.018 -0.162 0.000 1.773 356 C CB -0.834 26.832 27.740 -0.123 0.000 1.793 356 C HN 0.309 nan 8.230 nan 0.000 0.544 357 K N 0.498 120.858 120.400 -0.067 0.000 2.404 357 K HA 0.274 4.601 4.320 0.011 0.000 0.194 357 K C 0.494 177.096 176.600 0.003 0.000 1.023 357 K CA 0.462 56.732 56.287 -0.029 0.000 1.094 357 K CB 0.040 32.533 32.500 -0.012 0.000 0.841 357 K HN 0.539 nan 8.250 nan 0.000 0.523 358 M N 1.610 121.227 119.600 0.028 0.000 2.746 358 M HA 0.155 4.641 4.480 0.011 0.000 0.209 358 M C -2.101 174.265 176.300 0.110 0.000 1.077 358 M CA -1.537 53.829 55.300 0.111 0.000 0.695 358 M CB 1.299 34.038 32.600 0.231 0.000 1.416 358 M HN -0.172 nan 8.290 nan 0.000 0.459 359 P HA -0.190 nan 4.420 nan 0.000 0.218 359 P C 1.102 178.531 177.300 0.215 0.000 1.149 359 P CA 1.416 64.596 63.100 0.132 0.000 0.817 359 P CB 0.095 31.870 31.700 0.126 0.000 0.785 360 Y N 1.134 121.497 120.300 0.104 0.000 2.263 360 Y HA -0.102 4.455 4.550 0.011 0.000 0.292 360 Y C 2.377 178.368 175.900 0.151 0.000 1.130 360 Y CA 1.905 60.074 58.100 0.116 0.000 1.179 360 Y CB -0.900 37.607 38.460 0.079 0.000 0.998 360 Y HN -0.127 nan 8.280 nan 0.000 0.532 361 T N 0.325 115.041 114.554 0.271 0.000 2.708 361 T HA -0.199 4.158 4.350 0.011 0.000 0.266 361 T C 1.658 176.476 174.700 0.197 0.000 1.037 361 T CA 1.822 64.091 62.100 0.283 0.000 1.146 361 T CB -0.231 68.856 68.868 0.365 0.000 0.865 361 T HN 0.436 nan 8.240 nan 0.000 0.435 362 E N 0.730 121.006 120.200 0.127 0.000 2.085 362 E HA -0.140 4.216 4.350 0.011 0.000 0.194 362 E C 2.530 179.131 176.600 0.001 0.000 0.994 362 E CA 1.098 57.472 56.400 -0.044 0.000 0.801 362 E CB -0.201 29.169 29.700 -0.551 0.000 0.743 362 E HN 0.484 nan 8.360 nan 0.000 0.453 363 A N 0.743 123.586 122.820 0.038 0.000 1.898 363 A HA -0.127 4.200 4.320 0.011 0.000 0.216 363 A C 2.472 179.944 177.584 -0.187 0.000 1.181 363 A CA 1.055 53.117 52.037 0.042 0.000 0.620 363 A CB -0.543 18.496 19.000 0.064 0.000 0.819 363 A HN 0.115 nan 8.150 nan 0.000 0.442 364 V N 0.044 119.808 119.914 -0.250 0.000 2.343 364 V HA -0.250 3.877 4.120 0.011 0.000 0.247 364 V C 2.543 178.546 176.094 -0.151 0.000 1.051 364 V CA 1.991 64.165 62.300 -0.210 0.000 1.036 364 V CB -0.699 31.082 31.823 -0.071 0.000 0.654 364 V HN 0.566 nan 8.190 nan 0.000 0.451 365 L N -1.123 120.007 121.223 -0.154 0.000 2.156 365 L HA -0.134 4.213 4.340 0.011 0.000 0.208 365 L C 2.506 179.236 176.870 -0.234 0.000 1.095 365 L CA 1.368 56.075 54.840 -0.221 0.000 0.770 365 L CB -0.640 41.315 42.059 -0.173 0.000 0.914 365 L HN 0.387 nan 8.230 nan 0.000 0.439 366 H N -1.069 117.791 119.070 -0.350 0.000 2.423 366 H HA -0.161 4.402 4.556 0.011 0.000 0.297 366 H C 2.115 177.126 175.328 -0.529 0.000 1.075 366 H CA 1.227 56.954 56.048 -0.534 0.000 1.342 366 H CB 0.172 29.339 29.762 -0.992 0.000 1.395 366 H HN 0.187 nan 8.280 nan 0.000 0.530 367 E N 0.333 120.341 120.200 -0.320 0.000 2.152 367 E HA -0.084 4.272 4.350 0.011 0.000 0.192 367 E C 2.087 178.681 176.600 -0.010 0.000 0.983 367 E CA 0.609 56.928 56.400 -0.136 0.000 0.818 367 E CB -0.221 29.270 29.700 -0.348 0.000 0.758 367 E HN 0.215 nan 8.360 nan 0.000 0.467 368 V N 0.730 120.647 119.914 0.005 0.000 2.343 368 V HA -0.247 3.880 4.120 0.011 0.000 0.247 368 V C 2.404 178.441 176.094 -0.096 0.000 1.051 368 V CA 1.633 63.928 62.300 -0.010 0.000 1.036 368 V CB -0.476 31.309 31.823 -0.063 0.000 0.654 368 V HN 0.321 nan 8.190 nan 0.000 0.451 369 L N -0.425 120.710 121.223 -0.147 0.000 2.012 369 L HA -0.213 4.134 4.340 0.011 0.000 0.210 369 L C 2.752 179.483 176.870 -0.231 0.000 1.073 369 L CA 2.000 56.724 54.840 -0.192 0.000 0.748 369 L CB -0.666 41.250 42.059 -0.239 0.000 0.891 369 L HN 0.267 nan 8.230 nan 0.000 0.431 370 R N -0.473 119.861 120.500 -0.277 0.000 2.073 370 R HA -0.178 4.168 4.340 0.011 0.000 0.229 370 R C 2.380 178.601 176.300 -0.131 0.000 1.120 370 R CA 1.552 57.367 56.100 -0.475 0.000 0.967 370 R CB -0.211 29.781 30.300 -0.513 0.000 0.862 370 R HN 0.196 nan 8.270 nan 0.000 0.436 371 F N 0.275 120.122 119.950 -0.171 0.000 2.149 371 F HA -0.079 4.455 4.527 0.011 0.000 0.294 371 F C 2.037 177.818 175.800 -0.032 0.000 1.095 371 F CA 1.106 59.095 58.000 -0.018 0.000 1.276 371 F CB -0.204 38.795 39.000 -0.001 0.000 1.023 371 F HN 0.036 nan 8.300 nan 0.000 0.480 372 C N 0.516 119.684 119.300 -0.220 0.000 2.563 372 C HA 0.114 4.580 4.460 0.011 0.000 0.268 372 C C 0.432 175.163 174.990 -0.432 0.000 1.365 372 C CA -0.102 58.550 59.018 -0.611 0.000 1.754 372 C CB -1.708 25.478 27.740 -0.924 0.000 1.932 372 C HN 0.518 nan 8.230 nan 0.000 0.536 373 N N 1.029 119.621 118.700 -0.179 0.000 2.669 373 N HA -0.175 4.572 4.740 0.011 0.000 0.266 373 N C 0.433 175.875 175.510 -0.113 0.000 1.024 373 N CA 0.378 53.386 53.050 -0.069 0.000 0.766 373 N CB -0.721 37.758 38.487 -0.015 0.000 0.898 373 N HN 0.410 nan 8.380 nan 0.000 0.548 374 I N -0.110 120.419 120.570 -0.069 0.000 2.236 374 I HA -0.228 3.949 4.170 0.011 0.000 0.249 374 I C 1.262 177.373 176.117 -0.010 0.000 1.102 374 I CA 1.497 62.806 61.300 0.016 0.000 1.365 374 I CB 0.057 38.084 38.000 0.046 0.000 1.051 374 I HN 0.225 nan 8.210 nan 0.000 0.420 375 V N 2.875 122.767 119.914 -0.037 0.000 2.250 375 V HA 0.213 4.340 4.120 0.011 0.000 0.268 375 V C -1.453 174.629 176.094 -0.019 0.000 1.043 375 V CA -0.889 61.398 62.300 -0.023 0.000 0.814 375 V CB 0.656 32.468 31.823 -0.017 0.000 1.072 375 V HN 0.151 nan 8.190 nan 0.000 0.451 376 P HA 0.018 nan 4.420 nan 0.000 0.224 376 P C 0.830 178.154 177.300 0.040 0.000 1.157 376 P CA 0.859 63.900 63.100 -0.100 0.000 0.799 376 P CB 0.663 32.105 31.700 -0.429 0.000 0.809 377 L N -1.515 119.773 121.223 0.108 0.000 3.014 377 L HA 0.385 4.732 4.340 0.011 0.000 0.263 377 L C 1.275 178.292 176.870 0.245 0.000 1.207 377 L CA -0.120 54.848 54.840 0.215 0.000 1.017 377 L CB -0.203 42.064 42.059 0.348 0.000 1.360 377 L HN 0.047 nan 8.230 nan 0.000 0.560 378 G N 1.463 110.355 108.800 0.153 0.000 2.578 378 G HA2 -0.303 3.664 3.960 0.011 0.000 0.275 378 G HA3 -0.303 3.664 3.960 0.011 0.000 0.275 378 G C -0.242 174.733 174.900 0.125 0.000 1.271 378 G CA -0.212 44.978 45.100 0.150 0.000 0.941 378 G HN 0.128 nan 8.290 nan 0.000 0.564 379 I N 0.677 121.312 120.570 0.108 0.000 2.377 379 I HA 0.382 4.559 4.170 0.011 0.000 0.293 379 I C 0.614 176.828 176.117 0.162 0.000 0.987 379 I CA -0.625 60.673 61.300 -0.002 0.000 1.185 379 I CB 1.241 39.172 38.000 -0.115 0.000 1.341 379 I HN 0.388 nan 8.210 nan 0.000 0.455 380 F N 4.772 124.739 119.950 0.028 0.000 2.607 380 F HA 0.071 4.604 4.527 0.010 0.000 0.374 380 F C 1.155 176.943 175.800 -0.020 0.000 1.104 380 F CA -0.102 57.953 58.000 0.092 0.000 1.296 380 F CB 0.247 39.343 39.000 0.159 0.000 1.085 380 F HN 0.473 nan 8.300 nan 0.000 0.584 381 H N 1.242 120.446 119.070 0.223 0.000 2.570 381 H HA 0.765 5.327 4.556 0.010 0.000 0.342 381 H C -0.532 174.849 175.328 0.089 0.000 1.245 381 H CA -0.865 55.254 56.048 0.119 0.000 1.318 381 H CB 1.859 31.685 29.762 0.108 0.000 1.694 381 H HN 0.669 nan 8.280 nan 0.000 0.592 382 A N 0.501 123.410 122.820 0.149 0.000 2.556 382 A HA 0.388 4.714 4.320 0.011 0.000 0.294 382 A C -0.365 177.165 177.584 -0.090 0.000 1.091 382 A CA -0.768 51.292 52.037 0.038 0.000 0.704 382 A CB 1.018 20.037 19.000 0.033 0.000 1.300 382 A HN 0.679 nan 8.150 nan 0.000 0.406 383 T N -0.208 114.220 114.554 -0.210 0.000 2.851 383 T HA 0.403 4.760 4.350 0.011 0.000 0.298 383 T C 1.099 175.679 174.700 -0.200 0.000 0.977 383 T CA 0.226 62.095 62.100 -0.385 0.000 1.126 383 T CB 0.927 69.518 68.868 -0.461 0.000 0.916 383 T HN 1.262 nan 8.240 nan 0.000 0.529 384 S N 0.550 116.141 115.700 -0.182 0.000 2.496 384 S HA 0.380 4.857 4.470 0.011 0.000 0.224 384 S C 0.709 175.272 174.600 -0.061 0.000 0.996 384 S CA 0.241 58.396 58.200 -0.075 0.000 0.927 384 S CB -0.495 62.694 63.200 -0.018 0.000 0.774 384 S HN 1.253 nan 8.310 nan 0.000 0.524 385 E N 0.702 120.841 120.200 -0.101 0.000 2.433 385 E HA 0.520 4.877 4.350 0.011 0.000 0.278 385 E C -1.647 174.901 176.600 -0.087 0.000 0.976 385 E CA -0.955 55.407 56.400 -0.065 0.000 0.793 385 E CB -0.180 29.499 29.700 -0.035 0.000 1.311 385 E HN 0.172 nan 8.360 nan 0.000 0.460 386 D N 0.053 120.428 120.400 -0.042 0.000 2.548 386 D HA 0.461 5.108 4.640 0.011 0.000 0.231 386 D C -0.041 176.242 176.300 -0.028 0.000 1.142 386 D CA 1.663 55.649 54.000 -0.023 0.000 0.866 386 D CB 1.130 41.934 40.800 0.005 0.000 1.190 386 D HN 0.911 nan 8.370 nan 0.000 0.469 387 A N 1.251 124.066 122.820 -0.007 0.000 2.587 387 A HA 0.655 4.982 4.320 0.011 0.000 0.293 387 A C -1.394 176.248 177.584 0.096 0.000 1.087 387 A CA -0.688 51.370 52.037 0.035 0.000 0.692 387 A CB 1.646 20.635 19.000 -0.018 0.000 1.291 387 A HN 0.274 nan 8.150 nan 0.000 0.407 388 V N 1.108 121.094 119.914 0.120 0.000 2.443 388 V HA 0.575 4.701 4.120 0.011 0.000 0.293 388 V C -0.838 175.329 176.094 0.122 0.000 1.021 388 V CA -0.481 61.885 62.300 0.111 0.000 0.848 388 V CB 1.373 33.238 31.823 0.069 0.000 0.998 388 V HN 0.716 nan 8.190 nan 0.000 0.424 389 V N 5.524 125.518 119.914 0.133 0.000 2.482 389 V HA 0.574 4.700 4.120 0.011 0.000 0.295 389 V C 0.437 176.595 176.094 0.106 0.000 1.026 389 V CA -0.910 61.451 62.300 0.102 0.000 0.856 389 V CB 1.484 33.365 31.823 0.096 0.000 1.001 389 V HN 0.901 nan 8.190 nan 0.000 0.424 390 R N 3.266 123.787 120.500 0.034 0.000 3.422 390 R HA -0.211 4.135 4.340 0.011 0.000 0.267 390 R C 1.174 177.360 176.300 -0.190 0.000 1.074 390 R CA 0.719 56.806 56.100 -0.021 0.000 0.718 390 R CB -1.730 28.607 30.300 0.061 0.000 1.157 390 R HN 1.757 nan 8.270 nan 0.000 0.440 391 G N -1.320 107.391 108.800 -0.149 0.000 2.168 391 G HA2 -0.376 3.590 3.960 0.011 0.000 0.263 391 G HA3 -0.376 3.590 3.960 0.011 0.000 0.263 391 G C -0.038 174.691 174.900 -0.285 0.000 0.977 391 G CA 0.895 45.861 45.100 -0.224 0.000 0.659 391 G HN 0.524 nan 8.290 nan 0.000 0.533 392 Y N 0.152 120.456 120.300 0.006 0.000 2.457 392 Y HA 0.665 5.221 4.550 0.010 0.000 0.333 392 Y C 0.766 176.681 175.900 0.024 0.000 1.119 392 Y CA -0.362 57.739 58.100 0.002 0.000 1.143 392 Y CB 2.003 40.431 38.460 -0.054 0.000 1.230 392 Y HN 0.113 nan 8.280 nan 0.000 0.469 393 S N 2.668 118.514 115.700 0.243 0.000 2.508 393 S HA 0.646 5.123 4.470 0.011 0.000 0.284 393 S C -0.902 173.837 174.600 0.232 0.000 1.192 393 S CA -0.494 57.822 58.200 0.194 0.000 1.070 393 S CB 0.067 63.372 63.200 0.176 0.000 1.004 393 S HN 0.521 nan 8.310 nan 0.000 0.493 394 I N 6.183 126.862 120.570 0.181 0.000 2.493 394 I HA 0.326 4.503 4.170 0.011 0.000 0.279 394 I C -2.432 173.760 176.117 0.124 0.000 1.045 394 I CA -2.231 59.182 61.300 0.188 0.000 1.106 394 I CB 2.040 40.101 38.000 0.102 0.000 1.216 394 I HN 0.431 nan 8.210 nan 0.000 0.459 395 P HA 0.052 nan 4.420 nan 0.000 0.272 395 P C -0.422 176.879 177.300 0.002 0.000 1.230 395 P CA -0.518 62.613 63.100 0.052 0.000 0.788 395 P CB 0.636 32.352 31.700 0.027 0.000 0.949 396 K N 1.303 121.689 120.400 -0.024 0.000 2.561 396 K HA 0.104 4.431 4.320 0.011 0.000 0.280 396 K C 1.046 177.626 176.600 -0.034 0.000 0.975 396 K CA 1.055 57.315 56.287 -0.046 0.000 1.024 396 K CB -0.874 31.607 32.500 -0.031 0.000 0.883 396 K HN 0.782 nan 8.250 nan 0.000 0.496 397 G N 2.448 111.222 108.800 -0.043 0.000 2.148 397 G HA2 -0.246 3.721 3.960 0.011 0.000 0.254 397 G HA3 -0.246 3.721 3.960 0.011 0.000 0.254 397 G C 0.042 174.938 174.900 -0.007 0.000 0.981 397 G CA 0.539 45.627 45.100 -0.020 0.000 0.670 397 G HN 0.692 nan 8.290 nan 0.000 0.528 398 T N 1.863 116.414 114.554 -0.005 0.000 2.884 398 T HA 0.468 4.824 4.350 0.011 0.000 0.298 398 T C 0.772 175.489 174.700 0.027 0.000 0.998 398 T CA 0.586 62.709 62.100 0.037 0.000 1.124 398 T CB 1.174 70.109 68.868 0.111 0.000 0.931 398 T HN 0.231 nan 8.240 nan 0.000 0.531 399 T N 3.560 118.134 114.554 0.034 0.000 2.834 399 T HA 0.332 4.688 4.350 0.011 0.000 0.298 399 T C 0.068 174.760 174.700 -0.014 0.000 0.966 399 T CA -0.384 61.727 62.100 0.020 0.000 1.141 399 T CB 0.242 69.107 68.868 -0.005 0.000 0.905 399 T HN 0.330 nan 8.240 nan 0.000 0.535 400 V N 5.591 125.518 119.914 0.022 0.000 2.409 400 V HA 0.453 4.580 4.120 0.011 0.000 0.291 400 V C -0.011 176.070 176.094 -0.022 0.000 1.020 400 V CA -0.813 61.501 62.300 0.022 0.000 0.848 400 V CB 1.460 33.393 31.823 0.184 0.000 0.990 400 V HN 0.786 nan 8.190 nan 0.000 0.430 401 I N 4.420 124.896 120.570 -0.156 0.000 2.330 401 I HA 0.317 4.494 4.170 0.011 0.000 0.289 401 I C 0.553 176.637 176.117 -0.054 0.000 1.001 401 I CA -0.265 60.935 61.300 -0.167 0.000 1.193 401 I CB 2.002 39.793 38.000 -0.349 0.000 1.345 401 I HN 0.721 nan 8.210 nan 0.000 0.461 402 T N 1.803 116.392 114.554 0.059 0.000 2.723 402 T HA 0.180 4.537 4.350 0.011 0.000 0.297 402 T C 0.171 174.909 174.700 0.064 0.000 0.925 402 T CA -0.766 61.348 62.100 0.023 0.000 1.030 402 T CB 0.477 69.358 68.868 0.022 0.000 0.905 402 T HN 0.405 nan 8.240 nan 0.000 0.502 403 N N 4.256 122.981 118.700 0.042 0.000 2.807 403 N HA 0.152 4.899 4.740 0.011 0.000 0.259 403 N C 1.114 176.662 175.510 0.063 0.000 1.149 403 N CA -0.608 52.502 53.050 0.099 0.000 1.042 403 N CB -0.437 38.130 38.487 0.133 0.000 1.367 403 N HN 0.712 nan 8.380 nan 0.000 0.516 404 L N 1.780 123.020 121.223 0.027 0.000 2.079 404 L HA -0.219 4.128 4.340 0.011 0.000 0.210 404 L C 1.850 178.581 176.870 -0.232 0.000 1.081 404 L CA 1.180 55.947 54.840 -0.122 0.000 0.752 404 L CB -0.615 41.387 42.059 -0.095 0.000 0.896 404 L HN 0.517 nan 8.230 nan 0.000 0.433 405 Y N 1.332 121.539 120.300 -0.156 0.000 2.151 405 Y HA -0.348 4.208 4.550 0.011 0.000 0.284 405 Y C 2.886 178.797 175.900 0.019 0.000 1.166 405 Y CA 1.844 59.886 58.100 -0.097 0.000 1.163 405 Y CB -0.356 38.019 38.460 -0.142 0.000 0.974 405 Y HN 0.266 nan 8.280 nan 0.000 0.511 406 S N -0.958 114.708 115.700 -0.056 0.000 2.423 406 S HA -0.133 4.343 4.470 0.011 0.000 0.231 406 S C 1.848 176.468 174.600 0.034 0.000 1.014 406 S CA 1.208 59.371 58.200 -0.063 0.000 0.965 406 S CB -1.061 62.205 63.200 0.109 0.000 0.785 406 S HN 0.271 nan 8.310 nan 0.000 0.495 407 V N 1.888 121.811 119.914 0.017 0.000 2.427 407 V HA -0.132 3.995 4.120 0.011 0.000 0.248 407 V C 2.260 178.516 176.094 0.270 0.000 1.051 407 V CA 2.007 64.383 62.300 0.127 0.000 1.048 407 V CB -1.133 30.724 31.823 0.056 0.000 0.666 407 V HN 0.681 nan 8.190 nan 0.000 0.456 408 H N -2.102 117.038 119.070 0.117 0.000 2.555 408 H HA 0.095 4.657 4.556 0.012 0.000 0.269 408 H C 1.047 176.190 175.328 -0.308 0.000 0.988 408 H CA 0.558 56.527 56.048 -0.132 0.000 1.178 408 H CB 0.179 29.890 29.762 -0.086 0.000 1.373 408 H HN 0.399 nan 8.280 nan 0.000 0.588 409 F N 0.379 120.208 119.950 -0.201 0.000 2.698 409 F HA 0.109 4.643 4.527 0.011 0.000 0.304 409 F C 0.418 176.252 175.800 0.056 0.000 1.108 409 F CA -0.730 57.170 58.000 -0.167 0.000 1.263 409 F CB 0.499 39.254 39.000 -0.408 0.000 1.013 409 F HN -0.030 nan 8.300 nan 0.000 0.532 410 D N 1.465 122.085 120.400 0.367 0.000 2.344 410 D HA 0.005 4.652 4.640 0.011 0.000 0.253 410 D C 1.077 177.589 176.300 0.354 0.000 1.255 410 D CA 0.451 54.670 54.000 0.366 0.000 0.894 410 D CB 0.619 41.687 40.800 0.446 0.000 1.067 410 D HN 0.393 nan 8.370 nan 0.000 0.492 411 E N 2.722 123.046 120.200 0.206 0.000 2.478 411 E HA -0.143 4.213 4.350 0.011 0.000 0.198 411 E C 1.464 178.076 176.600 0.020 0.000 1.046 411 E CA 0.204 56.677 56.400 0.121 0.000 0.870 411 E CB 0.338 30.088 29.700 0.082 0.000 0.818 411 E HN 0.463 nan 8.360 nan 0.000 0.527 412 K N 0.141 120.534 120.400 -0.012 0.000 2.147 412 K HA -0.157 4.170 4.320 0.011 0.000 0.205 412 K C 0.809 177.110 176.600 -0.498 0.000 1.049 412 K CA 1.261 57.391 56.287 -0.263 0.000 0.936 412 K CB 0.136 32.437 32.500 -0.333 0.000 0.722 412 K HN 0.174 nan 8.250 nan 0.000 0.446 413 Y N -2.377 117.844 120.300 -0.132 0.000 2.453 413 Y HA 0.203 4.760 4.550 0.011 0.000 0.247 413 Y C -0.613 174.863 175.900 -0.706 0.000 1.124 413 Y CA -0.719 57.123 58.100 -0.429 0.000 1.243 413 Y CB 0.754 38.894 38.460 -0.534 0.000 1.213 413 Y HN -0.013 nan 8.280 nan 0.000 0.523 414 W N 1.992 123.291 121.300 -0.002 0.000 3.042 414 W HA 0.461 5.128 4.660 0.011 0.000 0.337 414 W C -0.654 175.806 176.519 -0.098 0.000 1.086 414 W CA -1.239 56.056 57.345 -0.084 0.000 1.236 414 W CB 0.873 30.266 29.460 -0.112 0.000 1.381 414 W HN -0.321 nan 8.180 nan 0.000 0.472 415 R N 2.002 122.559 120.500 0.095 0.000 2.312 415 R HA 0.365 4.711 4.340 0.011 0.000 0.311 415 R C -0.666 175.636 176.300 0.004 0.000 1.004 415 R CA -0.472 55.641 56.100 0.021 0.000 0.902 415 R CB 1.131 31.411 30.300 -0.033 0.000 1.073 415 R HN 0.601 nan 8.270 nan 0.000 0.457 416 D N 2.877 123.273 120.400 -0.006 0.000 2.697 416 D HA -0.095 4.552 4.640 0.011 0.000 0.238 416 D C -1.579 174.689 176.300 -0.052 0.000 1.152 416 D CA 0.637 54.623 54.000 -0.023 0.000 0.666 416 D CB -0.533 40.229 40.800 -0.064 0.000 1.037 416 D HN 0.547 nan 8.370 nan 0.000 0.423 417 P HA -0.181 nan 4.420 nan 0.000 0.222 417 P C 1.358 178.426 177.300 -0.385 0.000 1.147 417 P CA 1.123 63.992 63.100 -0.386 0.000 0.790 417 P CB 0.235 31.598 31.700 -0.562 0.000 0.780 418 E N 0.334 120.542 120.200 0.013 0.000 2.472 418 E HA -0.026 4.330 4.350 0.011 0.000 0.200 418 E C 0.216 177.068 176.600 0.421 0.000 1.046 418 E CA 0.404 57.027 56.400 0.371 0.000 0.871 418 E CB -0.654 29.244 29.700 0.331 0.000 0.806 418 E HN 0.083 nan 8.360 nan 0.000 0.533 419 V N 2.290 122.301 119.914 0.161 0.000 2.427 419 V HA 0.194 4.321 4.120 0.011 0.000 0.286 419 V C -0.385 175.604 176.094 -0.174 0.000 1.034 419 V CA -0.874 61.451 62.300 0.042 0.000 0.893 419 V CB 0.827 32.638 31.823 -0.020 0.000 0.982 419 V HN 0.129 nan 8.190 nan 0.000 0.452 420 F N 5.398 124.993 119.950 -0.591 0.000 2.487 420 F HA 0.358 4.891 4.527 0.011 0.000 0.364 420 F C 0.136 175.781 175.800 -0.258 0.000 1.126 420 F CA 0.149 57.715 58.000 -0.723 0.000 1.135 420 F CB -0.131 38.445 39.000 -0.706 0.000 1.127 420 F HN 0.644 nan 8.300 nan 0.000 0.559 421 H N 7.697 126.344 119.070 -0.706 0.000 2.699 421 H HA 0.338 4.901 4.556 0.011 0.000 0.256 421 H C -2.293 172.779 175.328 -0.427 0.000 1.376 421 H CA -1.961 53.810 56.048 -0.460 0.000 1.549 421 H CB 1.006 30.620 29.762 -0.246 0.000 1.686 421 H HN 0.274 nan 8.280 nan 0.000 0.550 422 P HA -0.172 nan 4.420 nan 0.000 0.217 422 P C 0.876 178.015 177.300 -0.268 0.000 1.148 422 P CA 1.170 63.985 63.100 -0.475 0.000 0.828 422 P CB 0.462 31.804 31.700 -0.596 0.000 0.783 423 E N -0.743 119.180 120.200 -0.461 0.000 2.409 423 E HA -0.150 4.207 4.350 0.011 0.000 0.198 423 E C 1.921 178.464 176.600 -0.095 0.000 1.024 423 E CA 0.430 56.680 56.400 -0.250 0.000 0.861 423 E CB -0.675 28.838 29.700 -0.311 0.000 0.788 423 E HN 0.402 nan 8.360 nan 0.000 0.521 424 R N -0.214 120.257 120.500 -0.048 0.000 2.241 424 R HA -0.083 4.263 4.340 0.011 0.000 0.224 424 R C 0.896 177.024 176.300 -0.286 0.000 1.101 424 R CA 1.078 57.136 56.100 -0.071 0.000 0.995 424 R CB -0.344 29.923 30.300 -0.055 0.000 0.870 424 R HN 0.140 nan 8.270 nan 0.000 0.463 425 F N 0.990 120.870 119.950 -0.116 0.000 2.727 425 F HA 0.345 4.878 4.527 0.011 0.000 0.302 425 F C 0.284 175.891 175.800 -0.321 0.000 1.097 425 F CA -0.284 57.556 58.000 -0.268 0.000 1.330 425 F CB 0.529 39.403 39.000 -0.209 0.000 1.084 425 F HN -0.127 nan 8.300 nan 0.000 0.578 426 L N 0.636 121.844 121.223 -0.024 0.000 2.329 426 L HA 0.342 4.688 4.340 0.011 0.000 0.279 426 L C -0.221 176.642 176.870 -0.011 0.000 1.014 426 L CA -1.211 53.639 54.840 0.017 0.000 0.814 426 L CB 1.119 43.233 42.059 0.091 0.000 1.257 426 L HN 0.001 nan 8.230 nan 0.000 0.424 427 D N 1.335 121.743 120.400 0.013 0.000 2.414 427 D HA 0.197 4.844 4.640 0.011 0.000 0.259 427 D C 1.224 177.550 176.300 0.044 0.000 1.269 427 D CA 0.089 54.095 54.000 0.009 0.000 1.028 427 D CB 0.601 41.403 40.800 0.003 0.000 1.093 427 D HN 0.595 nan 8.370 nan 0.000 0.545 428 S N -0.732 114.986 115.700 0.029 0.000 2.382 428 S HA -0.062 4.415 4.470 0.011 0.000 0.228 428 S C 2.182 176.823 174.600 0.070 0.000 1.027 428 S CA 1.999 60.220 58.200 0.036 0.000 0.991 428 S CB -1.334 61.875 63.200 0.015 0.000 0.823 428 S HN 0.754 nan 8.310 nan 0.000 0.469 429 S N 0.026 115.791 115.700 0.107 0.000 2.603 429 S HA 0.405 4.881 4.470 0.011 0.000 0.229 429 S C 1.806 176.565 174.600 0.265 0.000 0.972 429 S CA 0.988 59.306 58.200 0.196 0.000 0.935 429 S CB -0.707 62.622 63.200 0.216 0.000 0.769 429 S HN 1.847 nan 8.310 nan 0.000 0.536 430 G N -0.995 107.915 108.800 0.184 0.000 2.176 430 G HA2 -0.231 3.735 3.960 0.011 0.000 0.253 430 G HA3 -0.231 3.735 3.960 0.011 0.000 0.253 430 G C 0.096 175.049 174.900 0.089 0.000 0.979 430 G CA 0.310 45.473 45.100 0.105 0.000 0.641 430 G HN 0.475 nan 8.290 nan 0.000 0.530 431 Y N -0.765 119.571 120.300 0.061 0.000 2.295 431 Y HA 0.610 5.167 4.550 0.011 0.000 0.331 431 Y C 0.668 176.636 175.900 0.113 0.000 1.311 431 Y CA -1.103 57.050 58.100 0.089 0.000 1.430 431 Y CB 0.368 38.863 38.460 0.058 0.000 1.339 431 Y HN 0.131 nan 8.280 nan 0.000 0.552 432 F N 1.869 121.922 119.950 0.172 0.000 2.444 432 F HA 0.550 5.083 4.527 0.011 0.000 0.360 432 F C -0.072 175.777 175.800 0.082 0.000 1.106 432 F CA -1.027 57.026 58.000 0.088 0.000 1.170 432 F CB -0.104 38.904 39.000 0.013 0.000 1.113 432 F HN 0.411 nan 8.300 nan 0.000 0.521 433 A N 5.768 128.233 122.820 -0.591 0.000 2.252 433 A HA 0.633 4.960 4.320 0.011 0.000 0.309 433 A C -0.025 177.202 177.584 -0.595 0.000 1.285 433 A CA -0.466 51.313 52.037 -0.430 0.000 0.900 433 A CB -0.116 18.723 19.000 -0.270 0.000 1.157 433 A HN 0.991 nan 8.150 nan 0.000 0.536 434 K N 2.918 123.137 120.400 -0.302 0.000 2.401 434 K HA 0.429 4.755 4.320 0.011 0.000 0.278 434 K C -0.182 176.349 176.600 -0.115 0.000 1.018 434 K CA -0.060 56.163 56.287 -0.107 0.000 0.981 434 K CB 0.141 32.671 32.500 0.051 0.000 0.933 434 K HN 0.691 nan 8.250 nan 0.000 0.477 435 K N 1.837 122.222 120.400 -0.026 0.000 2.270 435 K HA 0.165 4.491 4.320 0.011 0.000 0.255 435 K C 0.848 177.378 176.600 -0.117 0.000 0.936 435 K CA -0.290 55.895 56.287 -0.171 0.000 0.809 435 K CB 1.924 34.262 32.500 -0.269 0.000 1.131 435 K HN 0.901 nan 8.250 nan 0.000 0.427 436 E N 1.220 121.256 120.200 -0.273 0.000 2.158 436 E HA -0.036 4.321 4.350 0.011 0.000 0.191 436 E C 0.741 176.990 176.600 -0.585 0.000 0.982 436 E CA 0.710 56.924 56.400 -0.309 0.000 0.823 436 E CB 0.111 29.634 29.700 -0.295 0.000 0.766 436 E HN 0.469 nan 8.360 nan 0.000 0.468 437 A N 1.314 123.680 122.820 -0.755 0.000 2.416 437 A HA 0.256 4.582 4.320 0.011 0.000 0.252 437 A C 0.100 177.824 177.584 0.235 0.000 1.353 437 A CA -0.244 51.356 52.037 -0.728 0.000 0.996 437 A CB -0.396 18.153 19.000 -0.752 0.000 0.961 437 A HN 0.270 nan 8.150 nan 0.000 0.523 438 L N 0.683 122.073 121.223 0.278 0.000 2.294 438 L HA 0.534 4.881 4.340 0.011 0.000 0.283 438 L C -0.031 177.090 176.870 0.418 0.000 1.015 438 L CA -0.222 54.901 54.840 0.472 0.000 0.831 438 L CB 1.829 44.188 42.059 0.500 0.000 1.217 438 L HN 0.266 nan 8.230 nan 0.000 0.420 439 V N 3.556 123.838 119.914 0.614 0.000 2.724 439 V HA 0.435 4.562 4.120 0.011 0.000 0.341 439 V C -2.088 174.225 176.094 0.365 0.000 1.254 439 V CA -0.536 62.016 62.300 0.419 0.000 1.261 439 V CB 0.398 32.398 31.823 0.295 0.000 1.445 439 V HN 0.634 nan 8.190 nan 0.000 0.652 440 P HA 0.062 nan 4.420 nan 0.000 0.233 440 P C 0.735 177.881 177.300 -0.257 0.000 1.167 440 P CA 0.988 64.099 63.100 0.019 0.000 0.770 440 P CB 0.025 31.577 31.700 -0.246 0.000 0.837 441 F N -0.978 119.075 119.950 0.172 0.000 2.639 441 F HA 0.309 4.843 4.527 0.011 0.000 0.302 441 F C 1.330 177.236 175.800 0.176 0.000 1.097 441 F CA -0.100 57.991 58.000 0.152 0.000 1.294 441 F CB -0.015 39.076 39.000 0.152 0.000 1.027 441 F HN -0.137 nan 8.300 nan 0.000 0.550 442 S N 0.144 116.018 115.700 0.290 0.000 3.740 442 S HA -0.136 4.341 4.470 0.011 0.000 0.637 442 S C -0.790 173.961 174.600 0.251 0.000 2.126 442 S CA 0.099 58.443 58.200 0.239 0.000 2.309 442 S CB -0.771 62.574 63.200 0.243 0.000 0.330 442 S HN 0.220 nan 8.310 nan 0.000 1.786 443 L N 0.447 121.785 121.223 0.191 0.000 2.491 443 L HA 0.750 5.096 4.340 0.011 0.000 0.254 443 L C 0.738 177.687 176.870 0.133 0.000 1.048 443 L CA -0.259 54.661 54.840 0.135 0.000 0.855 443 L CB 1.459 43.540 42.059 0.036 0.000 1.466 443 L HN 1.763 nan 8.230 nan 0.000 0.409 444 G N 0.269 109.122 108.800 0.088 0.000 2.660 444 G HA2 -0.176 3.791 3.960 0.011 0.000 0.215 444 G HA3 -0.176 3.791 3.960 0.011 0.000 0.215 444 G C 0.304 175.356 174.900 0.253 0.000 1.345 444 G CA -0.198 44.956 45.100 0.090 0.000 0.877 444 G HN 0.566 nan 8.290 nan 0.000 0.549 445 R N 0.022 120.634 120.500 0.187 0.000 2.159 445 R HA -0.044 4.303 4.340 0.011 0.000 0.237 445 R C 2.213 178.741 176.300 0.379 0.000 1.131 445 R CA 1.496 57.769 56.100 0.288 0.000 0.982 445 R CB -0.253 30.083 30.300 0.059 0.000 0.868 445 R HN 0.446 nan 8.270 nan 0.000 0.453 446 R N 1.125 121.782 120.500 0.261 0.000 2.393 446 R HA 0.041 4.388 4.340 0.011 0.000 0.244 446 R C 0.345 176.770 176.300 0.209 0.000 0.920 446 R CA -0.152 56.095 56.100 0.245 0.000 1.076 446 R CB -0.395 29.987 30.300 0.135 0.000 1.119 446 R HN 0.442 nan 8.270 nan 0.000 0.524 447 H N -0.489 118.710 119.070 0.215 0.000 3.134 447 H HA -0.089 4.473 4.556 0.011 0.000 0.326 447 H C 0.087 175.527 175.328 0.188 0.000 1.017 447 H CA -0.048 56.117 56.048 0.195 0.000 1.359 447 H CB 0.370 30.232 29.762 0.166 0.000 1.300 447 H HN -0.035 nan 8.280 nan 0.000 0.596 448 C N 5.468 124.860 119.300 0.155 0.000 2.298 448 C HA -0.094 4.373 4.460 0.011 0.000 0.395 448 C C 2.239 177.174 174.990 -0.092 0.000 1.526 448 C CA 0.329 59.404 59.018 0.094 0.000 1.458 448 C CB -2.124 25.816 27.740 0.333 0.000 2.506 448 C HN 0.895 nan 8.230 nan 0.000 0.604 449 L N 5.466 126.605 121.223 -0.140 0.000 2.313 449 L HA 0.218 4.565 4.340 0.011 0.000 0.214 449 L C 1.923 178.692 176.870 -0.169 0.000 1.119 449 L CA 1.774 56.499 54.840 -0.192 0.000 0.809 449 L CB -0.238 41.687 42.059 -0.223 0.000 0.933 449 L HN 0.874 nan 8.230 nan 0.000 0.449 450 G N -0.968 107.756 108.800 -0.127 0.000 3.434 450 G HA2 -0.018 3.948 3.960 0.011 0.000 0.258 450 G HA3 -0.018 3.948 3.960 0.011 0.000 0.258 450 G C 1.008 175.881 174.900 -0.044 0.000 1.128 450 G CA 0.130 45.181 45.100 -0.081 0.000 0.792 450 G HN 0.456 nan 8.290 nan 0.000 0.539 451 E N 0.358 120.463 120.200 -0.157 0.000 2.038 451 E HA -0.291 4.065 4.350 0.011 0.000 0.195 451 E C 1.936 178.308 176.600 -0.379 0.000 1.000 451 E CA 1.350 57.420 56.400 -0.549 0.000 0.803 451 E CB -0.154 29.119 29.700 -0.711 0.000 0.750 451 E HN 0.519 nan 8.360 nan 0.000 0.448 452 H N 0.089 118.968 119.070 -0.319 0.000 2.290 452 H HA -0.155 4.407 4.556 0.011 0.000 0.298 452 H C 2.017 177.102 175.328 -0.404 0.000 1.087 452 H CA 1.891 57.715 56.048 -0.374 0.000 1.291 452 H CB -0.432 29.022 29.762 -0.514 0.000 1.369 452 H HN 0.253 nan 8.280 nan 0.000 0.492 453 L N 0.371 121.420 121.223 -0.290 0.000 2.012 453 L HA -0.106 4.241 4.340 0.011 0.000 0.210 453 L C 2.485 179.298 176.870 -0.094 0.000 1.073 453 L CA 2.113 56.889 54.840 -0.107 0.000 0.748 453 L CB -1.313 40.936 42.059 0.317 0.000 0.891 453 L HN 0.410 nan 8.230 nan 0.000 0.431 454 A N -0.456 122.350 122.820 -0.024 0.000 1.902 454 A HA -0.209 4.117 4.320 0.011 0.000 0.217 454 A C 2.359 179.958 177.584 0.026 0.000 1.181 454 A CA 1.733 53.813 52.037 0.070 0.000 0.623 454 A CB -0.527 18.601 19.000 0.212 0.000 0.818 454 A HN 0.526 nan 8.150 nan 0.000 0.443 455 R N -0.895 119.552 120.500 -0.088 0.000 2.091 455 R HA -0.108 4.238 4.340 0.011 0.000 0.238 455 R C 2.280 178.447 176.300 -0.222 0.000 1.136 455 R CA 1.722 57.788 56.100 -0.057 0.000 0.959 455 R CB -0.515 29.773 30.300 -0.019 0.000 0.856 455 R HN 0.540 nan 8.270 nan 0.000 0.437 456 M N 0.655 119.804 119.600 -0.751 0.000 2.080 456 M HA -0.191 4.296 4.480 0.011 0.000 0.260 456 M C 2.092 178.292 176.300 -0.167 0.000 1.068 456 M CA 1.794 56.561 55.300 -0.888 0.000 1.109 456 M CB -0.320 31.676 32.600 -1.008 0.000 1.342 456 M HN 0.178 nan 8.290 nan 0.000 0.405 457 E N 0.118 120.299 120.200 -0.032 0.000 2.051 457 E HA -0.187 4.170 4.350 0.011 0.000 0.192 457 E C 2.002 178.802 176.600 0.333 0.000 0.991 457 E CA 1.385 57.907 56.400 0.204 0.000 0.799 457 E CB -0.201 29.672 29.700 0.288 0.000 0.748 457 E HN 0.511 nan 8.360 nan 0.000 0.449 458 M N 0.038 119.785 119.600 0.245 0.000 2.065 458 M HA -0.194 4.293 4.480 0.011 0.000 0.259 458 M C 2.220 178.720 176.300 0.333 0.000 1.069 458 M CA 1.562 57.010 55.300 0.246 0.000 1.110 458 M CB -0.359 32.334 32.600 0.155 0.000 1.328 458 M HN 0.100 nan 8.290 nan 0.000 0.405 459 F N 0.905 120.993 119.950 0.231 0.000 2.102 459 F HA -0.189 4.345 4.527 0.011 0.000 0.298 459 F C 1.893 177.872 175.800 0.298 0.000 1.105 459 F CA 1.648 59.839 58.000 0.317 0.000 1.239 459 F CB -0.200 39.066 39.000 0.443 0.000 0.991 459 F HN -0.037 nan 8.300 nan 0.000 0.474 460 L N -1.353 120.037 121.223 0.278 0.000 2.056 460 L HA -0.190 4.157 4.340 0.011 0.000 0.207 460 L C 2.443 179.289 176.870 -0.040 0.000 1.078 460 L CA 1.233 56.107 54.840 0.057 0.000 0.749 460 L CB -0.827 41.219 42.059 -0.020 0.000 0.901 460 L HN 0.111 nan 8.230 nan 0.000 0.433 461 F N -0.953 119.067 119.950 0.116 0.000 2.113 461 F HA -0.259 4.274 4.527 0.011 0.000 0.297 461 F C 2.390 178.317 175.800 0.211 0.000 1.103 461 F CA 1.443 59.518 58.000 0.124 0.000 1.248 461 F CB -0.394 38.617 39.000 0.017 0.000 0.999 461 F HN -0.052 nan 8.300 nan 0.000 0.475 462 F N 1.371 121.455 119.950 0.223 0.000 2.102 462 F HA -0.235 4.299 4.527 0.012 0.000 0.298 462 F C 2.771 178.601 175.800 0.050 0.000 1.105 462 F CA 2.051 60.136 58.000 0.141 0.000 1.239 462 F CB -1.023 38.029 39.000 0.087 0.000 0.991 462 F HN 0.017 nan 8.300 nan 0.000 0.474 463 T N -1.244 113.232 114.554 -0.129 0.000 2.737 463 T HA -0.087 4.269 4.350 0.011 0.000 0.265 463 T C 2.215 176.848 174.700 -0.111 0.000 1.038 463 T CA 1.100 63.036 62.100 -0.273 0.000 1.144 463 T CB -1.309 67.290 68.868 -0.448 0.000 0.866 463 T HN 0.257 nan 8.240 nan 0.000 0.434 464 A N 1.373 124.185 122.820 -0.012 0.000 1.986 464 A HA 0.062 4.389 4.320 0.011 0.000 0.220 464 A C 2.331 180.006 177.584 0.151 0.000 1.171 464 A CA 1.762 53.839 52.037 0.068 0.000 0.640 464 A CB -0.874 18.183 19.000 0.095 0.000 0.811 464 A HN 0.521 nan 8.150 nan 0.000 0.451 465 L N -0.683 120.676 121.223 0.228 0.000 2.049 465 L HA 0.062 4.409 4.340 0.011 0.000 0.203 465 L C 2.183 179.190 176.870 0.228 0.000 1.074 465 L CA 1.459 56.514 54.840 0.360 0.000 0.749 465 L CB -0.340 42.000 42.059 0.469 0.000 0.907 465 L HN 0.347 nan 8.230 nan 0.000 0.439 466 L N -0.457 120.765 121.223 -0.001 0.000 2.275 466 L HA -0.178 4.168 4.340 0.011 0.000 0.215 466 L C 2.583 179.428 176.870 -0.041 0.000 1.119 466 L CA 1.277 56.076 54.840 -0.068 0.000 0.790 466 L CB -0.563 41.323 42.059 -0.288 0.000 0.919 466 L HN 0.551 nan 8.230 nan 0.000 0.443 467 Q N 0.620 120.394 119.800 -0.045 0.000 2.050 467 Q HA -0.261 4.086 4.340 0.011 0.000 0.202 467 Q C 2.336 178.283 176.000 -0.089 0.000 0.980 467 Q CA 1.794 57.575 55.803 -0.038 0.000 0.840 467 Q CB 0.092 28.818 28.738 -0.020 0.000 0.898 467 Q HN 0.341 nan 8.270 nan 0.000 0.424 468 R N -1.562 118.853 120.500 -0.142 0.000 2.140 468 R HA 0.107 4.454 4.340 0.011 0.000 0.213 468 R C -0.400 175.514 176.300 -0.644 0.000 1.059 468 R CA 0.313 56.150 56.100 -0.438 0.000 1.000 468 R CB 0.400 30.336 30.300 -0.608 0.000 0.910 468 R HN 0.056 nan 8.270 nan 0.000 0.455 469 F N -1.092 118.866 119.950 0.013 0.000 2.563 469 F HA 0.274 4.808 4.527 0.011 0.000 0.316 469 F C -0.361 175.470 175.800 0.052 0.000 1.076 469 F CA -1.321 56.701 58.000 0.037 0.000 0.921 469 F CB 1.411 40.454 39.000 0.071 0.000 1.209 469 F HN -0.050 nan 8.300 nan 0.000 0.462 470 H N 2.864 122.042 119.070 0.179 0.000 2.604 470 H HA 0.569 5.132 4.556 0.011 0.000 0.306 470 H C -1.237 174.181 175.328 0.150 0.000 1.075 470 H CA -0.333 55.786 56.048 0.118 0.000 1.357 470 H CB 0.567 30.376 29.762 0.078 0.000 1.426 470 H HN 0.526 nan 8.280 nan 0.000 0.470 471 L N 6.731 127.704 121.223 -0.416 0.000 2.289 471 L HA 0.401 4.747 4.340 0.011 0.000 0.285 471 L C -0.313 176.228 176.870 -0.547 0.000 1.049 471 L CA -0.701 53.900 54.840 -0.397 0.000 0.804 471 L CB 0.851 42.727 42.059 -0.305 0.000 1.195 471 L HN 0.891 nan 8.230 nan 0.000 0.428 472 H N 0.522 119.300 119.070 -0.486 0.000 3.017 472 H HA 0.547 5.110 4.556 0.011 0.000 0.346 472 H C -1.380 173.756 175.328 -0.321 0.000 1.286 472 H CA -0.998 54.771 56.048 -0.464 0.000 1.120 472 H CB 0.909 30.523 29.762 -0.248 0.000 1.860 472 H HN 0.170 nan 8.280 nan 0.000 0.542 473 F N 1.733 121.642 119.950 -0.069 0.000 2.429 473 F HA 0.306 4.839 4.527 0.011 0.000 0.348 473 F C -1.988 173.791 175.800 -0.036 0.000 1.109 473 F CA -2.707 55.234 58.000 -0.098 0.000 1.232 473 F CB 0.284 39.252 39.000 -0.053 0.000 1.157 473 F HN 0.387 nan 8.300 nan 0.000 0.564 474 P HA -0.022 nan 4.420 nan 0.000 0.268 474 P C -0.239 177.054 177.300 -0.012 0.000 1.204 474 P CA 0.405 63.456 63.100 -0.081 0.000 0.768 474 P CB 0.259 31.839 31.700 -0.200 0.000 0.842 475 H N 1.295 120.470 119.070 0.176 0.000 2.921 475 H HA -0.167 4.396 4.556 0.011 0.000 0.281 475 H C 0.390 175.798 175.328 0.134 0.000 1.165 475 H CA 1.178 57.302 56.048 0.126 0.000 1.151 475 H CB -2.065 27.744 29.762 0.079 0.000 1.311 475 H HN 0.586 nan 8.280 nan 0.000 0.361 476 E N -2.462 117.902 120.200 0.272 0.000 2.494 476 E HA -0.243 4.114 4.350 0.011 0.000 0.249 476 E C 0.412 177.142 176.600 0.216 0.000 1.184 476 E CA 0.849 57.407 56.400 0.263 0.000 0.727 476 E CB -1.519 28.288 29.700 0.178 0.000 1.281 476 E HN 0.442 nan 8.360 nan 0.000 0.405 477 L N 0.538 121.860 121.223 0.164 0.000 2.313 477 L HA 0.154 4.500 4.340 0.011 0.000 0.282 477 L C 0.053 176.807 176.870 -0.194 0.000 1.092 477 L CA -0.375 54.476 54.840 0.019 0.000 0.831 477 L CB 1.274 43.340 42.059 0.012 0.000 1.159 477 L HN -0.072 nan 8.230 nan 0.000 0.442 478 V N 8.436 128.210 119.914 -0.233 0.000 2.521 478 V HA 0.272 4.399 4.120 0.011 0.000 0.286 478 V C -1.501 174.274 176.094 -0.531 0.000 1.034 478 V CA -0.906 61.089 62.300 -0.508 0.000 1.045 478 V CB 0.361 32.035 31.823 -0.248 0.000 0.974 478 V HN 0.838 nan 8.190 nan 0.000 0.480 479 P HA 0.221 nan 4.420 nan 0.000 0.282 479 P C -0.745 176.373 177.300 -0.303 0.000 1.287 479 P CA -0.648 62.174 63.100 -0.463 0.000 0.792 479 P CB 0.555 31.954 31.700 -0.502 0.000 1.163 480 D N -0.132 120.157 120.400 -0.185 0.000 2.434 480 D HA 0.014 4.661 4.640 0.011 0.000 0.252 480 D C 0.628 176.879 176.300 -0.082 0.000 1.185 480 D CA 0.331 54.269 54.000 -0.104 0.000 0.886 480 D CB 0.013 40.778 40.800 -0.058 0.000 1.148 480 D HN 0.197 nan 8.370 nan 0.000 0.483 481 L N 3.051 124.261 121.223 -0.022 0.000 2.640 481 L HA 0.167 4.513 4.340 0.011 0.000 0.230 481 L C 1.295 178.304 176.870 0.231 0.000 1.123 481 L CA -0.221 54.678 54.840 0.099 0.000 0.900 481 L CB -0.123 41.958 42.059 0.035 0.000 1.146 481 L HN 0.241 nan 8.230 nan 0.000 0.484 482 K N 2.349 122.835 120.400 0.144 0.000 2.276 482 K HA 0.277 4.604 4.320 0.011 0.000 0.283 482 K C -2.281 174.448 176.600 0.216 0.000 1.044 482 K CA -1.714 54.663 56.287 0.150 0.000 0.944 482 K CB 1.127 33.671 32.500 0.073 0.000 1.012 482 K HN -0.184 nan 8.250 nan 0.000 0.472 483 P HA 0.099 nan 4.420 nan 0.000 0.272 483 P C -0.838 176.556 177.300 0.157 0.000 1.240 483 P CA -0.232 63.057 63.100 0.315 0.000 0.791 483 P CB 0.547 32.461 31.700 0.357 0.000 0.978 484 R N 0.301 120.874 120.500 0.123 0.000 2.577 484 R HA 0.384 4.731 4.340 0.011 0.000 0.269 484 R C -0.039 176.307 176.300 0.077 0.000 1.084 484 R CA -0.993 55.148 56.100 0.069 0.000 1.163 484 R CB -0.131 30.191 30.300 0.036 0.000 1.100 484 R HN 0.333 nan 8.270 nan 0.000 0.547 485 L N 0.751 122.004 121.223 0.050 0.000 2.410 485 L HA 0.353 4.699 4.340 0.011 0.000 0.273 485 L C 0.124 177.025 176.870 0.052 0.000 1.144 485 L CA 1.206 56.077 54.840 0.052 0.000 0.863 485 L CB 0.654 42.731 42.059 0.031 0.000 1.140 485 L HN 0.813 nan 8.230 nan 0.000 0.463 486 G N 4.185 113.025 108.800 0.066 0.000 2.451 486 G HA2 0.242 4.209 3.960 0.011 0.000 0.292 486 G HA3 0.242 4.209 3.960 0.011 0.000 0.292 486 G C -0.040 174.889 174.900 0.049 0.000 1.427 486 G CA -0.605 44.522 45.100 0.045 0.000 0.792 486 G HN 0.355 nan 8.290 nan 0.000 0.498 487 M N 0.593 120.201 119.600 0.013 0.000 2.476 487 M HA 0.108 4.595 4.480 0.011 0.000 0.262 487 M C 1.341 177.640 176.300 -0.003 0.000 1.079 487 M CA 1.177 56.472 55.300 -0.009 0.000 1.104 487 M CB -1.018 31.540 32.600 -0.070 0.000 1.409 487 M HN 0.755 nan 8.290 nan 0.000 0.467 488 T N -1.437 113.122 114.554 0.008 0.000 2.908 488 T HA 0.676 5.033 4.350 0.011 0.000 0.290 488 T C -0.324 174.414 174.700 0.064 0.000 1.034 488 T CA -0.874 61.240 62.100 0.023 0.000 1.010 488 T CB 2.115 70.993 68.868 0.017 0.000 1.068 488 T HN 0.092 nan 8.240 nan 0.000 0.481 489 L N 2.948 124.234 121.223 0.104 0.000 2.260 489 L HA 0.451 4.798 4.340 0.011 0.000 0.289 489 L C 0.464 177.571 176.870 0.395 0.000 1.057 489 L CA -0.676 54.296 54.840 0.220 0.000 0.811 489 L CB 0.855 43.011 42.059 0.160 0.000 1.184 489 L HN 0.779 nan 8.230 nan 0.000 0.429 490 Q N 3.678 123.622 119.800 0.241 0.000 2.399 490 Q HA 0.694 5.040 4.340 0.011 0.000 0.276 490 Q C -2.815 173.089 176.000 -0.159 0.000 1.098 490 Q CA -2.391 53.411 55.803 -0.001 0.000 0.827 490 Q CB 2.058 30.752 28.738 -0.073 0.000 1.386 490 Q HN 0.212 nan 8.270 nan 0.000 0.443 491 P HA 0.037 nan 4.420 nan 0.000 0.274 491 P C -0.664 176.524 177.300 -0.187 0.000 1.246 491 P CA -0.356 62.404 63.100 -0.567 0.000 0.795 491 P CB 0.536 31.759 31.700 -0.795 0.000 1.006 492 Q N 0.948 120.694 119.800 -0.090 0.000 2.454 492 Q HA 0.181 4.528 4.340 0.011 0.000 0.247 492 Q C -1.980 174.010 176.000 -0.017 0.000 1.028 492 Q CA -1.348 54.430 55.803 -0.042 0.000 0.910 492 Q CB -1.015 27.707 28.738 -0.027 0.000 1.276 492 Q HN 0.330 nan 8.270 nan 0.000 0.489 493 P HA -0.042 nan 4.420 nan 0.000 0.262 493 P C -1.207 176.078 177.300 -0.024 0.000 1.182 493 P CA 0.649 63.700 63.100 -0.082 0.000 0.761 493 P CB -0.053 31.595 31.700 -0.086 0.000 0.795 494 Y N 0.866 121.068 120.300 -0.164 0.000 2.534 494 Y HA 0.663 5.219 4.550 0.011 0.000 0.345 494 Y C -1.579 174.225 175.900 -0.161 0.000 1.031 494 Y CA -1.569 56.426 58.100 -0.174 0.000 1.022 494 Y CB 0.915 39.250 38.460 -0.208 0.000 1.292 494 Y HN 0.065 nan 8.280 nan 0.000 0.459 495 L N 4.411 125.592 121.223 -0.071 0.000 2.360 495 L HA 0.649 4.995 4.340 0.011 0.000 0.271 495 L C -0.452 176.386 176.870 -0.054 0.000 1.057 495 L CA -0.903 53.843 54.840 -0.157 0.000 0.803 495 L CB 1.648 43.650 42.059 -0.096 0.000 1.207 495 L HN 0.692 nan 8.230 nan 0.000 0.445 496 I N 0.568 120.988 120.570 -0.250 0.000 2.656 496 I HA 0.256 4.433 4.170 0.011 0.000 0.292 496 I C -0.985 174.975 176.117 -0.262 0.000 1.144 496 I CA -0.468 60.676 61.300 -0.260 0.000 1.038 496 I CB 2.665 40.399 38.000 -0.444 0.000 1.244 496 I HN 0.596 nan 8.210 nan 0.000 0.420 497 C N 5.057 124.152 119.300 -0.341 0.000 2.325 497 C HA 0.676 5.142 4.460 0.011 0.000 0.347 497 C C 0.745 175.625 174.990 -0.184 0.000 1.263 497 C CA -0.520 58.337 59.018 -0.268 0.000 1.806 497 C CB 0.043 27.492 27.740 -0.485 0.000 2.405 497 C HN 0.738 nan 8.230 nan 0.000 0.537 498 A N 3.757 126.585 122.820 0.013 0.000 2.249 498 A HA 0.618 4.945 4.320 0.011 0.000 0.314 498 A C -0.311 177.391 177.584 0.197 0.000 1.290 498 A CA -0.329 51.730 52.037 0.036 0.000 0.893 498 A CB 0.327 19.198 19.000 -0.215 0.000 1.165 498 A HN 0.893 nan 8.150 nan 0.000 0.530 499 E N 1.911 122.305 120.200 0.324 0.000 2.165 499 E HA 0.335 4.692 4.350 0.011 0.000 0.266 499 E C -0.427 176.376 176.600 0.337 0.000 0.889 499 E CA -0.749 55.844 56.400 0.322 0.000 0.756 499 E CB 1.474 31.344 29.700 0.284 0.000 1.131 499 E HN 0.780 nan 8.360 nan 0.000 0.411 500 R N 2.549 123.190 120.500 0.236 0.000 2.570 500 R HA 0.166 4.513 4.340 0.011 0.000 0.277 500 R C 0.399 176.661 176.300 -0.063 0.000 1.039 500 R CA -0.011 56.056 56.100 -0.054 0.000 1.065 500 R CB 0.958 31.157 30.300 -0.168 0.000 0.964 500 R HN 0.470 nan 8.270 nan 0.000 0.428 501 R N 1.882 122.279 120.500 -0.171 0.000 2.062 501 R HA -0.024 4.322 4.340 0.011 0.000 0.213 501 R C 0.469 176.664 176.300 -0.174 0.000 1.214 501 R CA 1.052 57.005 56.100 -0.245 0.000 0.951 501 R CB -0.356 29.636 30.300 -0.513 0.000 0.804 501 R HN 0.715 nan 8.270 nan 0.000 0.473 502 H N 0.643 119.719 119.070 0.011 0.000 2.768 502 H HA 0.071 4.634 4.556 0.011 0.000 0.228 502 H C -0.638 174.734 175.328 0.074 0.000 1.812 502 H CA -0.464 55.616 56.048 0.054 0.000 1.273 502 H CB -0.531 29.272 29.762 0.069 0.000 1.631 502 H HN 0.228 nan 8.280 nan 0.000 0.526 503 H N 3.192 122.259 119.070 -0.004 0.000 2.886 503 H HA 0.040 4.602 4.556 0.011 0.000 0.329 503 H C 0.087 175.332 175.328 -0.138 0.000 1.044 503 H CA -0.152 55.809 56.048 -0.145 0.000 1.456 503 H CB 0.134 29.821 29.762 -0.125 0.000 1.464 503 H HN 0.621 nan 8.280 nan 0.000 0.573 504 H N 2.865 121.575 119.070 -0.600 0.000 3.016 504 H HA 0.320 4.883 4.556 0.011 0.000 0.362 504 H C -0.688 174.254 175.328 -0.642 0.000 1.233 504 H CA -1.019 54.658 56.048 -0.618 0.000 1.124 504 H CB 1.098 30.709 29.762 -0.252 0.000 1.850 504 H HN 0.599 nan 8.280 nan 0.000 0.549 505 H N 0.000 119.014 119.070 -0.094 0.000 2.539 505 H HA 0.000 4.563 4.556 0.011 0.000 0.296 505 H CA 0.000 56.023 56.048 -0.041 0.000 1.023 505 H CB 0.000 29.732 29.762 -0.050 0.000 1.292 505 H HN 0.000 nan 8.280 nan 0.000 0.496