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 2wcs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQIQTPDWVK HAVFYQIFPD RFARSKQPRK RLLQEARWED WDSMPTLQGY DATA SEQUENCE KGGDLWGIME DLDYIQNLGI NAIYFTPIFQ SASNHRYHTH DYYQVDPMLG DATA SEQUENCE GNEAFKELLD AAHQRNIKVV LDGVFNHSSR GFFFFHDVLE NGPHSPWVNW DATA SEQUENCE FKIEGWPLSP YNGEFPANYV GWAGNRALPE FNHDNPEVRE YIMEIAEYWL DATA SEQUENCE KFGIDGWRLD VPFEIKTPGF WQEFRDRTKA INPEAYIVGE VWGDSRQWLD DATA SEQUENCE GTQFDGVMNY LFAGPTIAFA AGDRVVLEQV QSRDYQPYPP LFAAEYATKI DATA SEQUENCE QEVLQLYPWE IQLTQLNLLA SHDTARLMTI AGGDIASVEL STLLLLTFPG DATA SEQUENCE APSIYYGDEV GLPGGIDPDS RRGFPLEANW NQEIFNTHRQ LITIRQTYPA DATA SEQUENCE LRTGDYQVLY AQGQLYLFAR TLGTEELIIA INAGTSSATA NVDVASLHTQ DATA SEQUENCE PNKLLYGTAE AEWNGEEGTQ QLSLTLPARS GCILGTG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 Q N 1.339 121.157 119.800 0.031 0.000 2.315 2 Q HA 0.510 4.853 4.340 0.005 0.000 0.289 2 Q C -0.006 176.017 176.000 0.039 0.000 1.044 2 Q CA 0.126 55.950 55.803 0.035 0.000 0.920 2 Q CB 0.518 29.277 28.738 0.036 0.000 1.214 2 Q HN 0.777 nan 8.270 nan 0.000 0.392 3 I N 4.252 124.847 120.570 0.042 0.000 2.668 3 I HA -0.102 4.071 4.170 0.005 0.000 0.285 3 I C 0.219 176.360 176.117 0.040 0.000 1.168 3 I CA 0.827 62.152 61.300 0.042 0.000 1.424 3 I CB 0.305 38.332 38.000 0.045 0.000 1.377 3 I HN 0.635 nan 8.210 nan 0.000 0.560 4 Q N 4.736 124.559 119.800 0.038 0.000 2.375 4 Q HA 0.547 4.890 4.340 0.005 0.000 0.271 4 Q C -0.840 175.176 176.000 0.027 0.000 1.074 4 Q CA -0.828 54.994 55.803 0.033 0.000 0.808 4 Q CB 2.784 31.547 28.738 0.041 0.000 1.327 4 Q HN 0.728 nan 8.270 nan 0.000 0.441 5 T N -1.573 112.979 114.554 -0.002 0.000 2.909 5 T HA 0.497 4.850 4.350 0.005 0.000 0.299 5 T C -2.845 171.808 174.700 -0.078 0.000 1.073 5 T CA -2.458 59.626 62.100 -0.028 0.000 0.999 5 T CB 1.533 70.363 68.868 -0.063 0.000 1.098 5 T HN 0.179 nan 8.240 nan 0.000 0.477 6 P HA 0.064 nan 4.420 nan 0.000 0.253 6 P C 0.160 177.273 177.300 -0.312 0.000 1.159 6 P CA 0.309 63.277 63.100 -0.219 0.000 0.779 6 P CB 0.168 31.608 31.700 -0.433 0.000 0.745 7 D N 2.781 123.123 120.400 -0.097 0.000 2.218 7 D HA -0.150 4.492 4.640 0.005 0.000 0.204 7 D C 1.707 178.031 176.300 0.039 0.000 0.976 7 D CA 0.967 54.954 54.000 -0.022 0.000 0.853 7 D CB -0.362 40.492 40.800 0.090 0.000 0.939 7 D HN 0.587 nan 8.370 nan 0.000 0.481 8 W N 0.802 122.109 121.300 0.012 0.000 2.402 8 W HA -0.098 4.566 4.660 0.006 0.000 0.286 8 W C 1.339 177.822 176.519 -0.060 0.000 1.221 8 W CA 0.306 57.654 57.345 0.005 0.000 1.257 8 W CB -1.094 28.340 29.460 -0.044 0.000 1.120 8 W HN -0.189 nan 8.180 nan 0.000 0.551 9 V N 2.633 121.939 119.914 -1.013 0.000 2.343 9 V HA -0.309 3.814 4.120 0.005 0.000 0.247 9 V C 2.559 178.365 176.094 -0.479 0.000 1.051 9 V CA 2.457 64.131 62.300 -1.044 0.000 1.036 9 V CB -0.949 30.005 31.823 -1.448 0.000 0.654 9 V HN 0.118 nan 8.190 nan 0.000 0.451 10 K N -0.626 119.495 120.400 -0.466 0.000 2.360 10 K HA -0.165 4.158 4.320 0.005 0.000 0.201 10 K C 1.104 177.271 176.600 -0.722 0.000 1.046 10 K CA 1.422 57.376 56.287 -0.556 0.000 0.940 10 K CB -0.174 31.963 32.500 -0.606 0.000 0.748 10 K HN 0.683 nan 8.250 nan 0.000 0.465 11 H N -1.765 117.261 119.070 -0.072 0.000 2.767 11 H HA 0.319 4.877 4.556 0.004 0.000 0.260 11 H C -0.352 174.975 175.328 -0.001 0.000 1.172 11 H CA -0.320 55.715 56.048 -0.021 0.000 1.048 11 H CB 0.877 30.637 29.762 -0.002 0.000 1.697 11 H HN 0.078 nan 8.280 nan 0.000 0.606 12 A N 0.863 123.710 122.820 0.044 0.000 2.279 12 A HA 0.609 4.932 4.320 0.005 0.000 0.303 12 A C -0.443 177.149 177.584 0.014 0.000 1.108 12 A CA -0.495 51.542 52.037 0.000 0.000 0.830 12 A CB 0.824 19.763 19.000 -0.101 0.000 1.106 12 A HN 0.143 nan 8.150 nan 0.000 0.493 13 V N 2.087 121.971 119.914 -0.050 0.000 2.349 13 V HA 0.350 4.472 4.120 0.005 0.000 0.284 13 V C -1.050 175.064 176.094 0.035 0.000 1.014 13 V CA -0.185 62.151 62.300 0.060 0.000 0.826 13 V CB 0.462 32.304 31.823 0.033 0.000 1.009 13 V HN 0.702 nan 8.190 nan 0.000 0.431 14 F N 3.938 123.971 119.950 0.139 0.000 2.371 14 F HA 0.524 5.054 4.527 0.004 0.000 0.329 14 F C -0.237 175.768 175.800 0.341 0.000 1.107 14 F CA -0.380 57.767 58.000 0.244 0.000 1.137 14 F CB 0.895 40.039 39.000 0.241 0.000 1.214 14 F HN 0.453 nan 8.300 nan 0.000 0.536 15 Y N 2.399 122.895 120.300 0.327 0.000 2.322 15 Y HA 0.262 4.815 4.550 0.004 0.000 0.324 15 Y C -0.608 175.224 175.900 -0.113 0.000 1.027 15 Y CA -1.072 57.099 58.100 0.119 0.000 1.179 15 Y CB 1.005 39.474 38.460 0.014 0.000 1.136 15 Y HN 0.603 nan 8.280 nan 0.000 0.449 16 Q N 6.370 125.889 119.800 -0.469 0.000 2.288 16 Q HA 0.551 4.894 4.340 0.005 0.000 0.258 16 Q C -1.240 174.249 176.000 -0.851 0.000 0.957 16 Q CA -0.175 55.042 55.803 -0.978 0.000 0.919 16 Q CB 0.679 29.026 28.738 -0.651 0.000 1.185 16 Q HN 0.768 nan 8.270 nan 0.000 0.408 17 I N 3.630 123.745 120.570 -0.757 0.000 2.530 17 I HA 0.281 4.454 4.170 0.005 0.000 0.297 17 I C -0.932 174.835 176.117 -0.583 0.000 1.011 17 I CA -0.963 59.859 61.300 -0.796 0.000 1.107 17 I CB 1.491 39.164 38.000 -0.545 0.000 1.285 17 I HN 0.643 nan 8.210 nan 0.000 0.436 18 F N 8.491 127.823 119.950 -1.030 0.000 2.291 18 F HA 0.447 4.976 4.527 0.004 0.000 0.368 18 F C -1.960 173.566 175.800 -0.457 0.000 1.085 18 F CA -2.360 55.322 58.000 -0.530 0.000 1.165 18 F CB 0.839 39.703 39.000 -0.228 0.000 1.429 18 F HN 0.229 nan 8.300 nan 0.000 0.503 19 P HA -0.150 nan 4.420 nan 0.000 0.218 19 P C 1.136 178.321 177.300 -0.191 0.000 1.148 19 P CA 1.240 64.073 63.100 -0.445 0.000 0.822 19 P CB 0.311 31.587 31.700 -0.707 0.000 0.784 20 D N -1.294 119.029 120.400 -0.129 0.000 2.264 20 D HA -0.056 4.587 4.640 0.005 0.000 0.208 20 D C 1.320 177.715 176.300 0.157 0.000 0.966 20 D CA 0.828 54.900 54.000 0.119 0.000 0.864 20 D CB 0.082 41.032 40.800 0.250 0.000 0.933 20 D HN 0.013 nan 8.370 nan 0.000 0.499 21 R N -0.913 119.659 120.500 0.119 0.000 2.600 21 R HA 0.117 4.459 4.340 0.005 0.000 0.392 21 R C 0.844 176.627 176.300 -0.861 0.000 1.032 21 R CA -0.285 55.571 56.100 -0.406 0.000 1.139 21 R CB -0.232 30.017 30.300 -0.085 0.000 1.400 21 R HN 0.177 nan 8.270 nan 0.000 0.566 22 F N 0.621 120.158 119.950 -0.688 0.000 2.243 22 F HA 0.424 4.954 4.527 0.005 0.000 0.287 22 F C 0.164 175.768 175.800 -0.326 0.000 1.067 22 F CA 0.437 58.163 58.000 -0.457 0.000 1.304 22 F CB 0.552 39.334 39.000 -0.365 0.000 1.087 22 F HN -0.080 nan 8.300 nan 0.000 0.513 23 A N 0.670 123.444 122.820 -0.077 0.000 2.547 23 A HA 0.557 4.879 4.320 0.005 0.000 0.298 23 A C -1.206 176.585 177.584 0.344 0.000 1.062 23 A CA -0.911 51.250 52.037 0.206 0.000 0.748 23 A CB 0.736 19.855 19.000 0.199 0.000 1.288 23 A HN 0.373 nan 8.150 nan 0.000 0.396 24 R N 1.287 122.036 120.500 0.415 0.000 2.460 24 R HA 0.732 5.074 4.340 0.005 0.000 0.303 24 R C 0.321 176.782 176.300 0.269 0.000 0.968 24 R CA 0.166 56.471 56.100 0.342 0.000 0.889 24 R CB 1.393 31.870 30.300 0.294 0.000 1.123 24 R HN 0.848 nan 8.270 nan 0.000 0.455 25 S N 2.016 117.889 115.700 0.287 0.000 2.617 25 S HA 0.137 4.610 4.470 0.005 0.000 0.255 25 S C 0.334 175.019 174.600 0.142 0.000 1.318 25 S CA -0.485 57.850 58.200 0.226 0.000 0.978 25 S CB 0.723 64.066 63.200 0.238 0.000 0.961 25 S HN 0.699 nan 8.310 nan 0.000 0.582 26 K N 0.374 120.832 120.400 0.095 0.000 2.312 26 K HA 0.145 4.468 4.320 0.005 0.000 0.230 26 K C 0.657 177.273 176.600 0.027 0.000 1.048 26 K CA 0.202 56.525 56.287 0.060 0.000 0.938 26 K CB -1.406 31.125 32.500 0.051 0.000 1.139 26 K HN 0.891 nan 8.250 nan 0.000 0.461 27 Q N 4.020 123.819 119.800 -0.001 0.000 2.352 27 Q HA -0.009 4.334 4.340 0.005 0.000 0.326 27 Q C -2.163 173.806 176.000 -0.051 0.000 1.135 27 Q CA -0.727 55.055 55.803 -0.035 0.000 1.000 27 Q CB -1.229 27.477 28.738 -0.054 0.000 1.237 27 Q HN 0.109 nan 8.270 nan 0.000 0.409 28 P HA 0.031 nan 4.420 nan 0.000 0.264 28 P C -0.821 176.388 177.300 -0.151 0.000 1.179 28 P CA 0.286 63.354 63.100 -0.053 0.000 0.763 28 P CB 0.359 32.098 31.700 0.067 0.000 0.806 29 R N 2.206 122.571 120.500 -0.224 0.000 2.483 29 R HA 0.226 4.569 4.340 0.005 0.000 0.303 29 R C 0.031 176.195 176.300 -0.227 0.000 0.987 29 R CA -0.551 55.367 56.100 -0.304 0.000 0.881 29 R CB 1.050 31.168 30.300 -0.305 0.000 1.177 29 R HN 0.170 nan 8.270 nan 0.000 0.451 30 K N 3.724 123.938 120.400 -0.310 0.000 2.360 30 K HA -0.017 4.306 4.320 0.005 0.000 0.225 30 K C 1.029 177.700 176.600 0.120 0.000 1.246 30 K CA 0.136 56.340 56.287 -0.138 0.000 1.198 30 K CB -0.088 32.258 32.500 -0.256 0.000 1.348 30 K HN 0.495 nan 8.250 nan 0.000 0.232 31 R N 0.480 121.136 120.500 0.259 0.000 2.097 31 R HA -0.214 4.129 4.340 0.005 0.000 0.236 31 R C 1.671 178.042 176.300 0.119 0.000 1.135 31 R CA 1.753 57.957 56.100 0.174 0.000 0.934 31 R CB 0.017 30.374 30.300 0.094 0.000 0.846 31 R HN 0.376 nan 8.270 nan 0.000 0.431 32 L N -1.002 120.270 121.223 0.081 0.000 2.590 32 L HA 0.246 4.589 4.340 0.005 0.000 0.181 32 L C -0.151 176.747 176.870 0.046 0.000 1.134 32 L CA 0.620 55.484 54.840 0.039 0.000 0.850 32 L CB -0.103 41.947 42.059 -0.015 0.000 1.172 32 L HN 0.035 nan 8.230 nan 0.000 0.498 33 L N 3.220 124.468 121.223 0.041 0.000 2.400 33 L HA 0.060 4.403 4.340 0.005 0.000 0.262 33 L C 1.711 178.606 176.870 0.041 0.000 1.309 33 L CA 0.569 55.430 54.840 0.035 0.000 1.186 33 L CB -1.039 41.032 42.059 0.019 0.000 1.375 33 L HN 0.621 nan 8.230 nan 0.000 0.433 34 Q N 1.033 120.852 119.800 0.032 0.000 2.077 34 Q HA -0.178 4.165 4.340 0.005 0.000 0.206 34 Q C -0.117 175.857 176.000 -0.044 0.000 0.989 34 Q CA 1.292 57.098 55.803 0.005 0.000 0.853 34 Q CB -0.085 28.677 28.738 0.041 0.000 0.907 34 Q HN 0.449 nan 8.270 nan 0.000 0.418 35 E N 1.343 121.531 120.200 -0.018 0.000 2.122 35 E HA 0.480 4.832 4.350 0.005 0.000 0.288 35 E C -0.857 175.726 176.600 -0.028 0.000 1.260 35 E CA 0.035 56.419 56.400 -0.026 0.000 1.344 35 E CB 0.550 30.249 29.700 -0.001 0.000 1.337 35 E HN 0.396 nan 8.360 nan 0.000 0.484 36 A N 1.997 124.779 122.820 -0.064 0.000 2.374 36 A HA 0.587 4.910 4.320 0.005 0.000 0.317 36 A C 0.035 177.583 177.584 -0.060 0.000 1.094 36 A CA -0.886 51.136 52.037 -0.024 0.000 0.765 36 A CB 1.279 20.308 19.000 0.049 0.000 1.268 36 A HN 0.109 nan 8.150 nan 0.000 0.438 37 R N 1.583 122.097 120.500 0.023 0.000 2.489 37 R HA -0.015 4.328 4.340 0.005 0.000 0.287 37 R C 0.386 176.765 176.300 0.132 0.000 1.053 37 R CA -0.265 55.881 56.100 0.077 0.000 1.036 37 R CB 0.236 30.594 30.300 0.096 0.000 0.966 37 R HN 0.917 nan 8.270 nan 0.000 0.432 38 W N 2.395 123.734 121.300 0.065 0.000 2.721 38 W HA -0.088 4.574 4.660 0.004 0.000 0.245 38 W C 0.853 177.439 176.519 0.111 0.000 1.276 38 W CA 0.831 58.202 57.345 0.044 0.000 1.342 38 W CB 0.259 29.680 29.460 -0.065 0.000 1.135 38 W HN 0.687 nan 8.180 nan 0.000 0.654 39 E N -0.618 119.755 120.200 0.290 0.000 2.140 39 E HA -0.115 4.237 4.350 0.005 0.000 0.191 39 E C 0.857 177.569 176.600 0.186 0.000 0.973 39 E CA 0.948 57.471 56.400 0.206 0.000 0.829 39 E CB -0.199 29.585 29.700 0.141 0.000 0.781 39 E HN 0.083 nan 8.360 nan 0.000 0.466 40 D N 0.154 120.657 120.400 0.172 0.000 2.340 40 D HA -0.073 4.569 4.640 0.005 0.000 0.220 40 D C 0.938 177.321 176.300 0.139 0.000 1.039 40 D CA -0.001 54.071 54.000 0.120 0.000 0.866 40 D CB -0.122 40.723 40.800 0.076 0.000 0.913 40 D HN 0.258 nan 8.370 nan 0.000 0.523 41 W N 1.712 123.025 121.300 0.021 0.000 2.338 41 W HA -0.178 4.485 4.660 0.004 0.000 0.304 41 W C 0.375 176.912 176.519 0.029 0.000 1.212 41 W CA 1.120 58.469 57.345 0.006 0.000 1.264 41 W CB 0.131 29.611 29.460 0.034 0.000 1.142 41 W HN -0.026 nan 8.180 nan 0.000 0.512 42 D N -0.255 120.242 120.400 0.162 0.000 2.350 42 D HA -0.107 4.535 4.640 0.005 0.000 0.216 42 D C 2.181 178.461 176.300 -0.033 0.000 0.968 42 D CA 1.188 55.223 54.000 0.060 0.000 0.894 42 D CB -0.318 40.550 40.800 0.113 0.000 0.909 42 D HN 0.040 nan 8.370 nan 0.000 0.520 43 S N -0.163 115.513 115.700 -0.040 0.000 2.470 43 S HA 0.091 4.563 4.470 0.005 0.000 0.225 43 S C 1.068 175.596 174.600 -0.120 0.000 1.006 43 S CA 0.275 58.443 58.200 -0.054 0.000 0.934 43 S CB 0.161 63.347 63.200 -0.022 0.000 0.778 43 S HN 0.239 nan 8.310 nan 0.000 0.517 44 M N 1.837 121.299 119.600 -0.230 0.000 2.385 44 M HA 0.287 4.769 4.480 0.005 0.000 0.346 44 M C -2.333 173.738 176.300 -0.382 0.000 1.180 44 M CA -2.186 52.927 55.300 -0.312 0.000 1.154 44 M CB 1.147 33.498 32.600 -0.414 0.000 1.251 44 M HN -0.112 nan 8.290 nan 0.000 0.430 45 P HA -0.177 nan 4.420 nan 0.000 0.213 45 P C 1.308 178.515 177.300 -0.155 0.000 1.176 45 P CA 1.731 64.736 63.100 -0.159 0.000 0.919 45 P CB -0.012 31.637 31.700 -0.085 0.000 0.791 46 T N -0.187 114.296 114.554 -0.118 0.000 2.624 46 T HA -0.216 4.137 4.350 0.005 0.000 0.266 46 T C 1.660 176.319 174.700 -0.068 0.000 1.050 46 T CA 1.772 63.837 62.100 -0.058 0.000 1.163 46 T CB -1.121 67.713 68.868 -0.058 0.000 0.861 46 T HN -0.007 nan 8.240 nan 0.000 0.443 47 L N 0.676 121.748 121.223 -0.252 0.000 2.179 47 L HA 0.066 4.408 4.340 0.005 0.000 0.208 47 L C 2.748 179.435 176.870 -0.306 0.000 1.096 47 L CA 1.051 55.706 54.840 -0.309 0.000 0.779 47 L CB -0.641 41.064 42.059 -0.590 0.000 0.922 47 L HN 0.153 nan 8.230 nan 0.000 0.443 48 Q N 0.790 120.235 119.800 -0.592 0.000 2.079 48 Q HA -0.072 4.271 4.340 0.005 0.000 0.200 48 Q C 1.074 177.176 176.000 0.169 0.000 0.974 48 Q CA 1.655 57.281 55.803 -0.296 0.000 0.840 48 Q CB -0.027 28.446 28.738 -0.442 0.000 0.898 48 Q HN 0.415 nan 8.270 nan 0.000 0.430 49 G N 0.676 109.523 108.800 0.078 0.000 4.975 49 G HA2 0.173 4.136 3.960 0.005 0.000 0.312 49 G HA3 0.173 4.136 3.960 0.005 0.000 0.312 49 G C -1.003 173.987 174.900 0.150 0.000 1.425 49 G CA -0.515 44.658 45.100 0.122 0.000 1.076 49 G HN 0.216 nan 8.290 nan 0.000 0.586 50 Y N 1.176 121.527 120.300 0.086 0.000 2.397 50 Y HA 0.304 4.857 4.550 0.004 0.000 0.335 50 Y C 1.324 177.290 175.900 0.110 0.000 1.213 50 Y CA -0.142 58.016 58.100 0.096 0.000 1.391 50 Y CB 1.455 39.992 38.460 0.128 0.000 1.293 50 Y HN 0.302 nan 8.280 nan 0.000 0.557 51 K N 3.110 123.065 120.400 -0.743 0.000 2.274 51 K HA 0.333 4.656 4.320 0.005 0.000 0.219 51 K C 0.934 177.211 176.600 -0.539 0.000 1.058 51 K CA 0.546 56.554 56.287 -0.465 0.000 0.920 51 K CB -0.377 31.983 32.500 -0.233 0.000 1.124 51 K HN 0.833 nan 8.250 nan 0.000 0.464 52 G N 0.422 108.823 108.800 -0.665 0.000 2.631 52 G HA2 0.345 4.307 3.960 0.005 0.000 0.271 52 G HA3 0.345 4.307 3.960 0.005 0.000 0.271 52 G C -0.042 174.914 174.900 0.095 0.000 1.302 52 G CA -0.290 44.782 45.100 -0.048 0.000 1.002 52 G HN 0.433 nan 8.290 nan 0.000 0.519 53 G N -1.111 107.847 108.800 0.263 0.000 2.539 53 G HA2 0.477 4.440 3.960 0.005 0.000 0.258 53 G HA3 0.477 4.440 3.960 0.005 0.000 0.258 53 G C -0.564 174.514 174.900 0.296 0.000 1.202 53 G CA 0.192 45.441 45.100 0.248 0.000 0.851 53 G HN 0.861 nan 8.290 nan 0.000 0.556 54 D N -1.021 119.548 120.400 0.282 0.000 2.592 54 D HA 0.318 4.961 4.640 0.005 0.000 0.263 54 D C 1.191 177.526 176.300 0.058 0.000 1.132 54 D CA -0.929 53.194 54.000 0.206 0.000 0.996 54 D CB 0.994 42.043 40.800 0.415 0.000 1.442 54 D HN 0.184 nan 8.370 nan 0.000 0.486 55 L N -0.940 120.201 121.223 -0.135 0.000 2.141 55 L HA 0.006 4.349 4.340 0.005 0.000 0.209 55 L C 1.695 178.495 176.870 -0.117 0.000 1.094 55 L CA 0.728 55.433 54.840 -0.226 0.000 0.763 55 L CB -0.541 41.324 42.059 -0.323 0.000 0.908 55 L HN 0.503 nan 8.230 nan 0.000 0.437 56 W N 0.769 122.120 121.300 0.086 0.000 2.290 56 W HA -0.233 4.430 4.660 0.005 0.000 0.328 56 W C 2.619 179.213 176.519 0.126 0.000 1.272 56 W CA 1.120 58.527 57.345 0.104 0.000 1.262 56 W CB -1.286 28.243 29.460 0.116 0.000 1.151 56 W HN 0.144 nan 8.180 nan 0.000 0.473 57 G N 0.680 109.716 108.800 0.393 0.000 2.586 57 G HA2 -0.332 3.630 3.960 0.005 0.000 0.218 57 G HA3 -0.332 3.630 3.960 0.005 0.000 0.218 57 G C 1.237 176.334 174.900 0.328 0.000 1.216 57 G CA 1.987 47.288 45.100 0.334 0.000 0.786 57 G HN 0.093 nan 8.290 nan 0.000 0.583 58 I N 0.789 121.538 120.570 0.298 0.000 2.113 58 I HA -0.296 3.876 4.170 0.005 0.000 0.242 58 I C 2.816 179.052 176.117 0.199 0.000 1.057 58 I CA 1.909 63.349 61.300 0.233 0.000 1.314 58 I CB -0.569 37.418 38.000 -0.021 0.000 1.022 58 I HN 0.286 nan 8.210 nan 0.000 0.408 59 M N -0.116 119.571 119.600 0.145 0.000 2.149 59 M HA -0.290 4.192 4.480 0.005 0.000 0.261 59 M C 2.206 178.608 176.300 0.170 0.000 1.064 59 M CA 1.906 57.283 55.300 0.128 0.000 1.102 59 M CB -0.211 32.455 32.600 0.110 0.000 1.369 59 M HN 0.259 nan 8.290 nan 0.000 0.408 60 E N -0.015 120.314 120.200 0.216 0.000 2.150 60 E HA -0.173 4.180 4.350 0.005 0.000 0.193 60 E C 0.658 177.382 176.600 0.207 0.000 0.985 60 E CA 1.148 57.669 56.400 0.201 0.000 0.814 60 E CB 0.055 29.880 29.700 0.208 0.000 0.752 60 E HN 0.542 nan 8.360 nan 0.000 0.466 61 D N 0.086 120.646 120.400 0.266 0.000 2.336 61 D HA 0.042 4.685 4.640 0.005 0.000 0.228 61 D C 1.317 177.802 176.300 0.309 0.000 1.120 61 D CA 0.071 54.259 54.000 0.314 0.000 0.839 61 D CB 0.117 41.172 40.800 0.424 0.000 0.932 61 D HN 0.147 nan 8.370 nan 0.000 0.509 62 L N 0.333 121.683 121.223 0.213 0.000 2.261 62 L HA -0.191 4.151 4.340 0.005 0.000 0.216 62 L C 1.725 178.674 176.870 0.131 0.000 1.114 62 L CA 0.935 55.863 54.840 0.147 0.000 0.777 62 L CB -0.049 42.065 42.059 0.091 0.000 0.910 62 L HN -0.041 nan 8.230 nan 0.000 0.440 63 D N -0.863 119.635 120.400 0.162 0.000 2.084 63 D HA -0.236 4.407 4.640 0.005 0.000 0.196 63 D C 1.814 178.218 176.300 0.172 0.000 0.985 63 D CA 1.239 55.326 54.000 0.144 0.000 0.826 63 D CB -0.222 40.670 40.800 0.153 0.000 0.978 63 D HN 0.281 nan 8.370 nan 0.000 0.456 64 Y N 2.145 122.522 120.300 0.129 0.000 2.053 64 Y HA -0.253 4.300 4.550 0.005 0.000 0.277 64 Y C 2.200 178.141 175.900 0.069 0.000 1.159 64 Y CA 1.497 59.684 58.100 0.144 0.000 1.125 64 Y CB -0.489 38.089 38.460 0.196 0.000 0.969 64 Y HN -0.116 nan 8.280 nan 0.000 0.492 65 I N 0.702 121.285 120.570 0.020 0.000 2.091 65 I HA -0.437 3.735 4.170 0.005 0.000 0.240 65 I C 2.500 178.458 176.117 -0.265 0.000 1.046 65 I CA 2.465 63.625 61.300 -0.233 0.000 1.306 65 I CB -1.696 36.267 38.000 -0.062 0.000 1.018 65 I HN 0.434 nan 8.210 nan 0.000 0.404 66 Q N 0.844 120.574 119.800 -0.116 0.000 2.224 66 Q HA -0.238 4.105 4.340 0.005 0.000 0.203 66 Q C 1.976 177.915 176.000 -0.101 0.000 0.970 66 Q CA 1.830 57.576 55.803 -0.096 0.000 0.865 66 Q CB -0.088 28.627 28.738 -0.038 0.000 0.922 66 Q HN 0.508 nan 8.270 nan 0.000 0.445 67 N N -0.214 118.429 118.700 -0.096 0.000 2.142 67 N HA -0.174 4.569 4.740 0.005 0.000 0.186 67 N C 1.565 177.002 175.510 -0.122 0.000 1.023 67 N CA 0.808 53.824 53.050 -0.057 0.000 0.852 67 N CB -0.226 38.279 38.487 0.030 0.000 0.998 67 N HN 0.250 nan 8.380 nan 0.000 0.424 68 L N -0.277 120.772 121.223 -0.290 0.000 2.127 68 L HA 0.048 4.391 4.340 0.005 0.000 0.211 68 L C 1.324 178.047 176.870 -0.245 0.000 1.089 68 L CA 2.024 56.642 54.840 -0.371 0.000 0.757 68 L CB -0.769 40.942 42.059 -0.581 0.000 0.899 68 L HN 0.485 nan 8.230 nan 0.000 0.434 69 G N -1.203 107.480 108.800 -0.195 0.000 2.154 69 G HA2 -0.221 3.742 3.960 0.005 0.000 0.186 69 G HA3 -0.221 3.742 3.960 0.005 0.000 0.186 69 G C 0.262 175.091 174.900 -0.117 0.000 1.000 69 G CA 0.032 45.057 45.100 -0.124 0.000 0.664 69 G HN 0.588 nan 8.290 nan 0.000 0.513 70 I N -0.144 120.325 120.570 -0.168 0.000 2.441 70 I HA 0.668 4.841 4.170 0.005 0.000 0.287 70 I C 0.545 176.586 176.117 -0.126 0.000 1.049 70 I CA -0.532 60.688 61.300 -0.133 0.000 1.381 70 I CB 1.039 38.936 38.000 -0.171 0.000 1.409 70 I HN 0.135 nan 8.210 nan 0.000 0.523 71 N N 4.305 122.931 118.700 -0.123 0.000 2.184 71 N HA 0.564 5.307 4.740 0.005 0.000 0.206 71 N C -0.302 175.098 175.510 -0.183 0.000 1.151 71 N CA 0.022 52.993 53.050 -0.131 0.000 0.878 71 N CB 1.006 39.431 38.487 -0.104 0.000 1.014 71 N HN 0.833 nan 8.380 nan 0.000 0.512 72 A N 1.154 123.841 122.820 -0.221 0.000 2.480 72 A HA 0.526 4.848 4.320 0.005 0.000 0.289 72 A C -1.224 176.292 177.584 -0.114 0.000 1.044 72 A CA -0.902 50.972 52.037 -0.272 0.000 0.761 72 A CB 0.868 19.523 19.000 -0.574 0.000 1.289 72 A HN 0.280 nan 8.150 nan 0.000 0.401 73 I N 0.569 121.092 120.570 -0.079 0.000 2.493 73 I HA 0.890 5.063 4.170 0.005 0.000 0.298 73 I C -1.048 174.903 176.117 -0.278 0.000 0.998 73 I CA -0.942 60.288 61.300 -0.117 0.000 1.137 73 I CB 1.229 39.097 38.000 -0.220 0.000 1.310 73 I HN 0.851 nan 8.210 nan 0.000 0.445 74 Y N 3.760 123.779 120.300 -0.468 0.000 2.433 74 Y HA 0.759 5.312 4.550 0.006 0.000 0.337 74 Y C -1.880 173.682 175.900 -0.564 0.000 1.026 74 Y CA -1.261 56.510 58.100 -0.548 0.000 1.037 74 Y CB 1.229 39.619 38.460 -0.117 0.000 1.245 74 Y HN 0.423 nan 8.280 nan 0.000 0.443 75 F N 1.004 120.794 119.950 -0.267 0.000 2.461 75 F HA 0.673 5.203 4.527 0.005 0.000 0.337 75 F C 1.199 176.740 175.800 -0.432 0.000 1.079 75 F CA -0.669 57.063 58.000 -0.447 0.000 1.032 75 F CB 0.940 39.659 39.000 -0.467 0.000 1.327 75 F HN 0.728 nan 8.300 nan 0.000 0.491 76 T N -1.525 112.843 114.554 -0.310 0.000 2.773 76 T HA 0.325 4.678 4.350 0.005 0.000 0.337 76 T C -2.582 171.772 174.700 -0.577 0.000 1.086 76 T CA -1.423 60.384 62.100 -0.489 0.000 0.998 76 T CB -0.057 68.446 68.868 -0.608 0.000 1.281 76 T HN 0.147 nan 8.240 nan 0.000 0.525 77 P HA 0.259 nan 4.420 nan 0.000 0.268 77 P C 0.225 177.092 177.300 -0.722 0.000 1.205 77 P CA -0.053 62.569 63.100 -0.795 0.000 0.771 77 P CB 0.140 31.305 31.700 -0.890 0.000 0.858 78 I N -2.367 117.727 120.570 -0.793 0.000 4.541 78 I HA 0.306 4.478 4.170 0.005 0.000 0.337 78 I C 0.071 175.959 176.117 -0.383 0.000 1.338 78 I CA -0.210 60.717 61.300 -0.622 0.000 1.244 78 I CB -0.024 37.542 38.000 -0.723 0.000 1.417 78 I HN 0.024 nan 8.210 nan 0.000 0.501 79 F N 2.341 122.084 119.950 -0.346 0.000 2.435 79 F HA 0.250 4.779 4.527 0.004 0.000 0.316 79 F C 1.122 176.847 175.800 -0.125 0.000 1.220 79 F CA -0.693 57.177 58.000 -0.216 0.000 1.241 79 F CB 0.320 39.219 39.000 -0.168 0.000 1.234 79 F HN 0.071 nan 8.300 nan 0.000 0.569 80 Q N 1.491 121.407 119.800 0.194 0.000 2.274 80 Q HA 0.171 4.513 4.340 0.005 0.000 0.280 80 Q C -0.797 175.297 176.000 0.156 0.000 1.047 80 Q CA -0.030 55.857 55.803 0.140 0.000 0.907 80 Q CB 0.559 29.407 28.738 0.184 0.000 1.171 80 Q HN 0.730 nan 8.270 nan 0.000 0.381 81 S N 1.767 117.528 115.700 0.101 0.000 2.615 81 S HA 0.746 5.219 4.470 0.005 0.000 0.269 81 S C -1.033 173.626 174.600 0.098 0.000 1.161 81 S CA -0.731 57.558 58.200 0.149 0.000 0.817 81 S CB 0.928 64.217 63.200 0.149 0.000 1.131 81 S HN 0.737 nan 8.310 nan 0.000 0.467 82 A N 1.453 124.345 122.820 0.119 0.000 2.425 82 A HA 0.650 4.973 4.320 0.005 0.000 0.242 82 A C 0.640 178.306 177.584 0.136 0.000 1.077 82 A CA -0.289 51.781 52.037 0.056 0.000 0.781 82 A CB -0.459 18.507 19.000 -0.056 0.000 1.020 82 A HN 1.103 nan 8.150 nan 0.000 0.494 83 S N 2.092 117.864 115.700 0.121 0.000 2.561 83 S HA 0.029 4.501 4.470 0.005 0.000 0.294 83 S C 1.067 175.869 174.600 0.336 0.000 1.294 83 S CA 0.655 58.970 58.200 0.192 0.000 1.055 83 S CB -0.100 63.200 63.200 0.167 0.000 0.819 83 S HN 1.324 nan 8.310 nan 0.000 0.503 84 N N 1.325 120.209 118.700 0.307 0.000 2.701 84 N HA -0.288 4.454 4.740 0.005 0.000 0.252 84 N C -0.620 175.080 175.510 0.316 0.000 1.002 84 N CA 1.326 54.566 53.050 0.317 0.000 0.758 84 N CB -1.572 37.075 38.487 0.266 0.000 0.937 84 N HN 0.844 nan 8.380 nan 0.000 0.538 85 H N -1.403 117.815 119.070 0.246 0.000 3.204 85 H HA 0.261 4.820 4.556 0.005 0.000 0.240 85 H C 0.814 176.339 175.328 0.328 0.000 1.259 85 H CA -0.588 55.693 56.048 0.389 0.000 0.991 85 H CB 0.447 30.391 29.762 0.303 0.000 2.583 85 H HN 0.118 nan 8.280 nan 0.000 0.638 86 R N -0.222 120.404 120.500 0.210 0.000 2.294 86 R HA -0.184 4.159 4.340 0.005 0.000 0.250 86 R C 0.340 176.529 176.300 -0.185 0.000 1.181 86 R CA 1.281 57.346 56.100 -0.058 0.000 1.016 86 R CB -0.387 29.737 30.300 -0.294 0.000 0.869 86 R HN 0.481 nan 8.270 nan 0.000 0.476 87 Y N -0.561 119.755 120.300 0.027 0.000 2.482 87 Y HA 0.061 4.613 4.550 0.004 0.000 0.270 87 Y C 0.929 176.789 175.900 -0.067 0.000 1.152 87 Y CA 0.278 58.330 58.100 -0.080 0.000 1.292 87 Y CB 0.200 38.580 38.460 -0.133 0.000 1.070 87 Y HN 0.062 nan 8.280 nan 0.000 0.528 88 H N 0.691 119.921 119.070 0.267 0.000 2.588 88 H HA 0.167 4.726 4.556 0.005 0.000 0.223 88 H C 0.159 175.610 175.328 0.205 0.000 1.804 88 H CA -0.246 55.964 56.048 0.270 0.000 1.269 88 H CB -0.395 29.550 29.762 0.304 0.000 1.670 88 H HN 0.043 nan 8.280 nan 0.000 0.539 89 T N 1.445 116.107 114.554 0.179 0.000 2.891 89 T HA -0.122 4.231 4.350 0.005 0.000 0.296 89 T C 1.420 176.249 174.700 0.215 0.000 1.025 89 T CA 0.450 62.562 62.100 0.020 0.000 1.149 89 T CB 1.069 69.658 68.868 -0.464 0.000 1.007 89 T HN 0.642 nan 8.240 nan 0.000 0.528 90 H N 1.500 120.666 119.070 0.160 0.000 2.615 90 H HA 0.174 4.732 4.556 0.004 0.000 0.275 90 H C -0.205 175.343 175.328 0.368 0.000 0.981 90 H CA 0.346 56.571 56.048 0.295 0.000 1.252 90 H CB 0.987 30.872 29.762 0.204 0.000 1.447 90 H HN 0.602 nan 8.280 nan 0.000 0.498 91 D N -0.745 119.863 120.400 0.345 0.000 2.591 91 D HA 0.058 4.701 4.640 0.005 0.000 0.222 91 D C -0.494 175.944 176.300 0.229 0.000 1.360 91 D CA -0.483 53.736 54.000 0.365 0.000 0.967 91 D CB 0.130 41.149 40.800 0.366 0.000 1.456 91 D HN -0.030 nan 8.370 nan 0.000 0.588 92 Y N 1.707 122.205 120.300 0.330 0.000 2.509 92 Y HA 0.028 4.581 4.550 0.005 0.000 0.293 92 Y C 1.002 176.682 175.900 -0.367 0.000 1.133 92 Y CA 0.722 58.803 58.100 -0.030 0.000 1.283 92 Y CB 0.067 38.522 38.460 -0.007 0.000 1.001 92 Y HN 0.500 nan 8.280 nan 0.000 0.555 93 Y N -0.469 119.877 120.300 0.076 0.000 2.493 93 Y HA 0.192 4.745 4.550 0.005 0.000 0.275 93 Y C 0.185 176.106 175.900 0.036 0.000 1.183 93 Y CA -0.199 57.833 58.100 -0.114 0.000 1.258 93 Y CB 0.341 38.625 38.460 -0.292 0.000 1.108 93 Y HN -0.075 nan 8.280 nan 0.000 0.521 94 Q N 0.390 120.321 119.800 0.219 0.000 2.285 94 Q HA 0.315 4.658 4.340 0.005 0.000 0.269 94 Q C -0.699 175.433 176.000 0.221 0.000 1.030 94 Q CA -0.716 55.231 55.803 0.239 0.000 0.788 94 Q CB 2.904 31.755 28.738 0.189 0.000 1.266 94 Q HN -0.086 nan 8.270 nan 0.000 0.438 95 V N 2.237 122.285 119.914 0.224 0.000 2.673 95 V HA -0.052 4.070 4.120 0.005 0.000 0.303 95 V C 0.817 176.947 176.094 0.061 0.000 1.046 95 V CA 0.131 62.483 62.300 0.088 0.000 1.126 95 V CB 0.480 32.283 31.823 -0.034 0.000 0.934 95 V HN 0.678 nan 8.190 nan 0.000 0.487 96 D N 6.086 126.488 120.400 0.003 0.000 2.493 96 D HA 0.016 4.659 4.640 0.005 0.000 0.240 96 D C -1.565 174.730 176.300 -0.008 0.000 1.142 96 D CA -1.093 52.906 54.000 -0.002 0.000 0.872 96 D CB 1.791 42.567 40.800 -0.039 0.000 1.173 96 D HN 0.260 nan 8.370 nan 0.000 0.467 97 P HA -0.146 nan 4.420 nan 0.000 0.216 97 P C 1.552 178.830 177.300 -0.038 0.000 1.150 97 P CA 1.123 64.226 63.100 0.005 0.000 0.837 97 P CB 0.135 31.833 31.700 -0.003 0.000 0.786 98 M N -1.889 117.657 119.600 -0.091 0.000 2.460 98 M HA -0.028 4.455 4.480 0.005 0.000 0.263 98 M C 1.768 177.992 176.300 -0.127 0.000 1.071 98 M CA 1.261 56.422 55.300 -0.231 0.000 1.096 98 M CB -1.230 31.269 32.600 -0.168 0.000 1.408 98 M HN 0.063 nan 8.290 nan 0.000 0.463 99 L N -1.402 119.797 121.223 -0.040 0.000 2.554 99 L HA 0.212 4.554 4.340 0.005 0.000 0.225 99 L C 1.365 178.210 176.870 -0.042 0.000 1.104 99 L CA 0.492 55.315 54.840 -0.028 0.000 0.866 99 L CB 0.046 42.025 42.059 -0.134 0.000 1.047 99 L HN 0.515 nan 8.230 nan 0.000 0.468 100 G N -0.853 107.957 108.800 0.016 0.000 2.205 100 G HA2 -0.056 3.907 3.960 0.005 0.000 0.180 100 G HA3 -0.056 3.907 3.960 0.005 0.000 0.180 100 G C 0.696 175.617 174.900 0.036 0.000 1.004 100 G CA -0.205 44.937 45.100 0.069 0.000 0.670 100 G HN 0.619 nan 8.290 nan 0.000 0.496 101 G N 0.427 109.244 108.800 0.029 0.000 2.668 101 G HA2 -0.233 3.730 3.960 0.005 0.000 0.266 101 G HA3 -0.233 3.730 3.960 0.005 0.000 0.266 101 G C 0.785 175.765 174.900 0.133 0.000 1.328 101 G CA 0.652 45.800 45.100 0.081 0.000 0.911 101 G HN 0.943 nan 8.290 nan 0.000 0.567 102 N N 0.257 119.093 118.700 0.226 0.000 2.205 102 N HA -0.081 4.662 4.740 0.005 0.000 0.186 102 N C 2.023 177.745 175.510 0.354 0.000 1.015 102 N CA 1.521 54.794 53.050 0.373 0.000 0.862 102 N CB -0.258 38.474 38.487 0.409 0.000 0.986 102 N HN 0.673 nan 8.380 nan 0.000 0.429 103 E N 0.632 120.969 120.200 0.229 0.000 2.077 103 E HA -0.103 4.250 4.350 0.005 0.000 0.193 103 E C 1.633 178.257 176.600 0.039 0.000 0.989 103 E CA 1.114 57.623 56.400 0.183 0.000 0.800 103 E CB 0.020 29.851 29.700 0.218 0.000 0.746 103 E HN 0.320 nan 8.360 nan 0.000 0.452 104 A N 0.653 123.370 122.820 -0.172 0.000 1.897 104 A HA -0.135 4.188 4.320 0.005 0.000 0.215 104 A C 1.991 179.326 177.584 -0.414 0.000 1.181 104 A CA 1.021 52.550 52.037 -0.847 0.000 0.620 104 A CB -0.859 17.286 19.000 -1.425 0.000 0.821 104 A HN 0.413 nan 8.150 nan 0.000 0.443 105 F N 1.254 121.051 119.950 -0.256 0.000 2.126 105 F HA -0.190 4.340 4.527 0.004 0.000 0.299 105 F C 2.099 177.930 175.800 0.052 0.000 1.096 105 F CA 2.206 60.142 58.000 -0.107 0.000 1.255 105 F CB -0.274 38.713 39.000 -0.022 0.000 0.997 105 F HN 0.204 nan 8.300 nan 0.000 0.479 106 K N 0.987 121.449 120.400 0.103 0.000 2.063 106 K HA -0.212 4.111 4.320 0.005 0.000 0.208 106 K C 1.928 178.429 176.600 -0.165 0.000 1.048 106 K CA 2.176 58.456 56.287 -0.012 0.000 0.928 106 K CB -0.586 31.964 32.500 0.083 0.000 0.713 106 K HN 0.487 nan 8.250 nan 0.000 0.442 107 E N -0.249 119.873 120.200 -0.130 0.000 2.150 107 E HA -0.163 4.190 4.350 0.005 0.000 0.193 107 E C 1.881 178.400 176.600 -0.136 0.000 0.985 107 E CA 1.051 57.394 56.400 -0.095 0.000 0.814 107 E CB -0.186 29.509 29.700 -0.009 0.000 0.752 107 E HN 0.217 nan 8.360 nan 0.000 0.466 108 L N 1.139 122.235 121.223 -0.212 0.000 2.027 108 L HA -0.114 4.229 4.340 0.005 0.000 0.206 108 L C 2.066 178.769 176.870 -0.279 0.000 1.074 108 L CA 1.389 56.118 54.840 -0.185 0.000 0.745 108 L CB -0.529 41.437 42.059 -0.156 0.000 0.898 108 L HN 0.123 nan 8.230 nan 0.000 0.433 109 L N -0.452 120.488 121.223 -0.472 0.000 1.971 109 L HA -0.306 4.037 4.340 0.005 0.000 0.215 109 L C 2.325 178.870 176.870 -0.541 0.000 1.072 109 L CA 2.086 56.553 54.840 -0.622 0.000 0.758 109 L CB -0.645 41.014 42.059 -0.667 0.000 0.889 109 L HN 0.346 nan 8.230 nan 0.000 0.433 110 D N -0.247 119.963 120.400 -0.318 0.000 2.116 110 D HA -0.196 4.447 4.640 0.005 0.000 0.193 110 D C 2.113 178.344 176.300 -0.115 0.000 0.998 110 D CA 1.558 55.457 54.000 -0.167 0.000 0.836 110 D CB -0.165 40.571 40.800 -0.107 0.000 0.951 110 D HN 0.427 nan 8.370 nan 0.000 0.449 111 A N 0.781 123.535 122.820 -0.110 0.000 1.902 111 A HA -0.061 4.262 4.320 0.005 0.000 0.217 111 A C 2.293 179.842 177.584 -0.060 0.000 1.181 111 A CA 2.385 54.389 52.037 -0.054 0.000 0.623 111 A CB -0.794 18.192 19.000 -0.023 0.000 0.818 111 A HN 0.248 nan 8.150 nan 0.000 0.443 112 A N -0.980 121.765 122.820 -0.124 0.000 1.898 112 A HA -0.155 4.168 4.320 0.005 0.000 0.216 112 A C 1.935 179.500 177.584 -0.031 0.000 1.181 112 A CA 1.591 53.566 52.037 -0.103 0.000 0.620 112 A CB -0.952 17.946 19.000 -0.171 0.000 0.819 112 A HN 0.763 nan 8.150 nan 0.000 0.442 113 H N -0.147 118.856 119.070 -0.111 0.000 2.389 113 H HA -0.137 4.421 4.556 0.005 0.000 0.299 113 H C 2.442 177.709 175.328 -0.101 0.000 1.081 113 H CA 1.227 57.200 56.048 -0.125 0.000 1.345 113 H CB 0.039 29.721 29.762 -0.133 0.000 1.393 113 H HN 0.810 nan 8.280 nan 0.000 0.520 114 Q N 1.217 121.046 119.800 0.047 0.000 2.226 114 Q HA -0.128 4.215 4.340 0.005 0.000 0.204 114 Q C 1.638 177.633 176.000 -0.007 0.000 0.975 114 Q CA 1.175 56.982 55.803 0.006 0.000 0.866 114 Q CB -0.105 28.633 28.738 0.000 0.000 0.915 114 Q HN 0.360 nan 8.270 nan 0.000 0.440 115 R N 0.475 120.971 120.500 -0.006 0.000 2.310 115 R HA 0.056 4.399 4.340 0.005 0.000 0.202 115 R C -0.185 176.094 176.300 -0.035 0.000 0.933 115 R CA 0.398 56.488 56.100 -0.017 0.000 1.054 115 R CB -0.012 30.280 30.300 -0.014 0.000 0.985 115 R HN 0.340 nan 8.270 nan 0.000 0.489 116 N N 0.589 119.266 118.700 -0.038 0.000 2.780 116 N HA -0.169 4.574 4.740 0.005 0.000 0.247 116 N C -1.415 174.036 175.510 -0.099 0.000 1.076 116 N CA 0.500 53.501 53.050 -0.081 0.000 0.688 116 N CB -0.832 37.603 38.487 -0.086 0.000 0.957 116 N HN 0.207 nan 8.380 nan 0.000 0.551 117 I N 0.563 121.096 120.570 -0.061 0.000 2.436 117 I HA 0.302 4.474 4.170 0.005 0.000 0.289 117 I C 0.340 176.414 176.117 -0.072 0.000 1.010 117 I CA -1.031 60.212 61.300 -0.095 0.000 1.098 117 I CB 1.509 39.464 38.000 -0.076 0.000 1.266 117 I HN -0.080 nan 8.210 nan 0.000 0.434 118 K N 4.951 125.223 120.400 -0.213 0.000 2.120 118 K HA 0.612 4.935 4.320 0.005 0.000 0.245 118 K C -0.591 175.945 176.600 -0.106 0.000 1.024 118 K CA -0.571 55.580 56.287 -0.227 0.000 0.906 118 K CB 1.573 33.688 32.500 -0.643 0.000 1.051 118 K HN 0.294 nan 8.250 nan 0.000 0.491 119 V N 0.961 120.856 119.914 -0.032 0.000 2.668 119 V HA 0.271 4.394 4.120 0.005 0.000 0.304 119 V C -0.575 175.523 176.094 0.006 0.000 1.071 119 V CA -1.016 61.249 62.300 -0.058 0.000 0.894 119 V CB 2.062 33.853 31.823 -0.053 0.000 1.008 119 V HN 0.414 nan 8.190 nan 0.000 0.425 120 V N 5.765 125.666 119.914 -0.021 0.000 2.628 120 V HA 0.585 4.708 4.120 0.005 0.000 0.306 120 V C -0.287 175.709 176.094 -0.164 0.000 1.045 120 V CA -0.560 61.731 62.300 -0.015 0.000 0.905 120 V CB 2.079 33.996 31.823 0.157 0.000 0.997 120 V HN 0.663 nan 8.190 nan 0.000 0.436 121 L N 2.317 123.356 121.223 -0.307 0.000 2.330 121 L HA 0.582 4.925 4.340 0.005 0.000 0.271 121 L C -0.553 176.172 176.870 -0.241 0.000 1.013 121 L CA -0.743 53.862 54.840 -0.392 0.000 0.816 121 L CB 1.876 43.505 42.059 -0.716 0.000 1.287 121 L HN 0.529 nan 8.230 nan 0.000 0.435 122 D N 1.283 121.517 120.400 -0.276 0.000 2.316 122 D HA 0.318 4.960 4.640 0.005 0.000 0.245 122 D C -0.045 176.133 176.300 -0.204 0.000 1.171 122 D CA 0.015 53.880 54.000 -0.225 0.000 0.856 122 D CB 1.541 42.147 40.800 -0.323 0.000 1.090 122 D HN 0.594 nan 8.370 nan 0.000 0.476 123 G N 2.423 111.145 108.800 -0.130 0.000 2.322 123 G HA2 0.446 4.409 3.960 0.005 0.000 0.309 123 G HA3 0.446 4.409 3.960 0.005 0.000 0.309 123 G C -0.454 173.802 174.900 -1.073 0.000 1.121 123 G CA -0.519 44.206 45.100 -0.625 0.000 0.886 123 G HN 0.373 nan 8.290 nan 0.000 0.447 124 V N 3.843 123.262 119.914 -0.825 0.000 2.257 124 V HA 0.240 4.362 4.120 0.005 0.000 0.269 124 V C -0.316 175.498 176.094 -0.465 0.000 1.040 124 V CA -0.490 61.455 62.300 -0.592 0.000 0.813 124 V CB 0.047 31.704 31.823 -0.276 0.000 1.065 124 V HN 0.699 nan 8.190 nan 0.000 0.457 125 F N 1.024 120.763 119.950 -0.351 0.000 2.678 125 F HA 0.236 4.765 4.527 0.004 0.000 0.305 125 F C 1.856 177.383 175.800 -0.455 0.000 1.090 125 F CA -0.423 57.283 58.000 -0.489 0.000 1.272 125 F CB -0.380 38.386 39.000 -0.390 0.000 1.060 125 F HN 0.475 nan 8.300 nan 0.000 0.576 126 N N 0.499 119.017 118.700 -0.303 0.000 2.376 126 N HA -0.088 4.655 4.740 0.005 0.000 0.177 126 N C -0.305 175.334 175.510 0.215 0.000 1.024 126 N CA 0.737 53.744 53.050 -0.071 0.000 0.893 126 N CB 0.176 38.536 38.487 -0.212 0.000 0.980 126 N HN 0.450 nan 8.380 nan 0.000 0.439 127 H N -2.769 116.416 119.070 0.191 0.000 3.003 127 H HA 0.432 4.991 4.556 0.005 0.000 0.327 127 H C -0.368 175.229 175.328 0.448 0.000 1.353 127 H CA -0.679 55.647 56.048 0.463 0.000 1.142 127 H CB 0.917 30.852 29.762 0.288 0.000 1.864 127 H HN -0.046 nan 8.280 nan 0.000 0.529 128 S N 0.720 116.824 115.700 0.673 0.000 4.422 128 S HA 0.790 5.263 4.470 0.005 0.000 0.210 128 S C -0.171 174.650 174.600 0.369 0.000 1.082 128 S CA 0.113 58.587 58.200 0.456 0.000 1.813 128 S CB 0.325 63.715 63.200 0.317 0.000 0.877 128 S HN 1.387 nan 8.310 nan 0.000 0.755 129 S N -0.740 115.160 115.700 0.333 0.000 2.685 129 S HA 0.585 5.058 4.470 0.005 0.000 0.282 129 S C 0.109 174.867 174.600 0.264 0.000 1.159 129 S CA -0.937 57.462 58.200 0.331 0.000 0.833 129 S CB 1.557 65.007 63.200 0.417 0.000 1.151 129 S HN 0.566 nan 8.310 nan 0.000 0.485 130 R N 0.394 121.058 120.500 0.273 0.000 2.120 130 R HA 0.122 4.464 4.340 0.005 0.000 0.234 130 R C 2.134 178.744 176.300 0.517 0.000 1.123 130 R CA 1.589 57.961 56.100 0.454 0.000 0.975 130 R CB -0.824 29.664 30.300 0.314 0.000 0.866 130 R HN 0.813 nan 8.270 nan 0.000 0.446 131 G N 0.134 109.202 108.800 0.447 0.000 2.650 131 G HA2 -0.156 3.806 3.960 0.005 0.000 0.214 131 G HA3 -0.156 3.806 3.960 0.005 0.000 0.214 131 G C 0.075 175.046 174.900 0.119 0.000 1.136 131 G CA -0.498 44.840 45.100 0.397 0.000 0.789 131 G HN 0.180 nan 8.290 nan 0.000 0.536 132 F N 1.987 122.015 119.950 0.129 0.000 2.590 132 F HA 0.218 4.748 4.527 0.005 0.000 0.389 132 F C 1.354 177.251 175.800 0.162 0.000 1.049 132 F CA -1.716 56.372 58.000 0.148 0.000 1.199 132 F CB 0.263 39.492 39.000 0.383 0.000 1.058 132 F HN 0.104 nan 8.300 nan 0.000 0.556 133 F N 6.444 125.978 119.950 -0.693 0.000 2.054 133 F HA -0.386 4.144 4.527 0.004 0.000 0.294 133 F C 1.565 176.978 175.800 -0.644 0.000 1.126 133 F CA 2.411 59.969 58.000 -0.737 0.000 1.226 133 F CB -1.064 37.320 39.000 -1.027 0.000 0.947 133 F HN 0.493 nan 8.300 nan 0.000 0.509 134 F N -0.918 118.399 119.950 -1.054 0.000 2.202 134 F HA -0.176 4.354 4.527 0.005 0.000 0.301 134 F C 2.270 177.905 175.800 -0.276 0.000 1.082 134 F CA 1.438 58.921 58.000 -0.860 0.000 1.313 134 F CB -1.320 37.241 39.000 -0.731 0.000 1.024 134 F HN 0.110 nan 8.300 nan 0.000 0.495 135 F N 0.517 120.434 119.950 -0.055 0.000 2.113 135 F HA -0.161 4.368 4.527 0.005 0.000 0.297 135 F C 2.772 178.376 175.800 -0.327 0.000 1.103 135 F CA 1.892 59.593 58.000 -0.499 0.000 1.248 135 F CB -1.050 37.751 39.000 -0.333 0.000 0.999 135 F HN 0.062 nan 8.300 nan 0.000 0.475 136 H N -0.103 118.802 119.070 -0.274 0.000 2.289 136 H HA -0.246 4.313 4.556 0.004 0.000 0.294 136 H C 2.282 177.384 175.328 -0.377 0.000 1.095 136 H CA 2.468 58.338 56.048 -0.295 0.000 1.256 136 H CB -0.812 28.831 29.762 -0.199 0.000 1.359 136 H HN 0.345 nan 8.280 nan 0.000 0.487 137 D N -0.340 119.790 120.400 -0.451 0.000 2.158 137 D HA -0.142 4.500 4.640 0.005 0.000 0.197 137 D C 2.283 178.411 176.300 -0.286 0.000 0.995 137 D CA 1.494 55.275 54.000 -0.365 0.000 0.846 137 D CB -0.057 40.560 40.800 -0.304 0.000 0.941 137 D HN 0.382 nan 8.370 nan 0.000 0.456 138 V N 1.044 120.767 119.914 -0.318 0.000 2.427 138 V HA -0.192 3.931 4.120 0.005 0.000 0.248 138 V C 2.711 178.581 176.094 -0.373 0.000 1.051 138 V CA 0.909 63.034 62.300 -0.291 0.000 1.048 138 V CB -0.331 31.266 31.823 -0.376 0.000 0.666 138 V HN 0.268 nan 8.190 nan 0.000 0.456 139 L N -0.485 120.399 121.223 -0.565 0.000 2.217 139 L HA -0.112 4.231 4.340 0.005 0.000 0.211 139 L C 2.417 179.087 176.870 -0.334 0.000 1.107 139 L CA 1.278 55.844 54.840 -0.457 0.000 0.783 139 L CB -0.363 41.401 42.059 -0.492 0.000 0.919 139 L HN 0.333 nan 8.230 nan 0.000 0.442 140 E N 0.044 119.995 120.200 -0.416 0.000 2.385 140 E HA -0.043 4.310 4.350 0.005 0.000 0.194 140 E C 1.186 177.664 176.600 -0.203 0.000 1.013 140 E CA 0.575 56.776 56.400 -0.332 0.000 0.866 140 E CB 0.266 29.692 29.700 -0.457 0.000 0.832 140 E HN 0.427 nan 8.360 nan 0.000 0.500 141 N N -0.963 117.623 118.700 -0.189 0.000 2.159 141 N HA 0.168 4.910 4.740 0.005 0.000 0.217 141 N C 0.573 176.002 175.510 -0.136 0.000 1.223 141 N CA 0.024 53.000 53.050 -0.122 0.000 0.896 141 N CB 1.166 39.593 38.487 -0.100 0.000 1.064 141 N HN 0.149 nan 8.380 nan 0.000 0.518 142 G N 2.448 111.151 108.800 -0.161 0.000 2.602 142 G HA2 -0.322 3.641 3.960 0.005 0.000 0.317 142 G HA3 -0.322 3.641 3.960 0.005 0.000 0.317 142 G C -1.590 173.086 174.900 -0.374 0.000 1.327 142 G CA 0.218 45.183 45.100 -0.225 0.000 0.971 142 G HN 0.087 nan 8.290 nan 0.000 0.540 143 P HA -0.107 nan 4.420 nan 0.000 0.217 143 P C 1.392 178.345 177.300 -0.579 0.000 1.151 143 P CA 1.905 64.328 63.100 -1.129 0.000 0.849 143 P CB -0.206 30.592 31.700 -1.504 0.000 0.787 144 H N -1.668 117.219 119.070 -0.305 0.000 2.559 144 H HA 0.107 4.666 4.556 0.004 0.000 0.273 144 H C 0.863 176.082 175.328 -0.182 0.000 1.000 144 H CA 0.485 56.407 56.048 -0.210 0.000 1.195 144 H CB -0.500 29.149 29.762 -0.188 0.000 1.368 144 H HN 0.130 nan 8.280 nan 0.000 0.592 145 S N 1.598 117.249 115.700 -0.082 0.000 2.562 145 S HA 0.041 4.514 4.470 0.005 0.000 0.281 145 S C -1.379 173.112 174.600 -0.182 0.000 1.333 145 S CA -1.221 56.913 58.200 -0.110 0.000 1.052 145 S CB 1.138 64.305 63.200 -0.056 0.000 0.884 145 S HN 0.050 nan 8.310 nan 0.000 0.506 146 P HA 0.082 nan 4.420 nan 0.000 0.233 146 P C 0.078 176.900 177.300 -0.796 0.000 1.167 146 P CA 0.717 63.365 63.100 -0.753 0.000 0.770 146 P CB 0.144 31.056 31.700 -1.313 0.000 0.837 147 W N -1.613 119.655 121.300 -0.053 0.000 2.599 147 W HA 0.237 4.899 4.660 0.004 0.000 0.396 147 W C 0.872 177.540 176.519 0.248 0.000 0.944 147 W CA -0.245 57.070 57.345 -0.049 0.000 2.042 147 W CB -0.140 29.119 29.460 -0.335 0.000 1.184 147 W HN -0.260 nan 8.180 nan 0.000 0.604 148 V N 1.133 121.251 119.914 0.340 0.000 2.380 148 V HA -0.315 3.808 4.120 0.005 0.000 0.251 148 V C 1.630 177.995 176.094 0.451 0.000 1.063 148 V CA 2.140 64.675 62.300 0.391 0.000 1.055 148 V CB -0.665 31.380 31.823 0.369 0.000 0.657 148 V HN 0.148 nan 8.190 nan 0.000 0.455 149 N N -1.331 117.609 118.700 0.401 0.000 2.509 149 N HA -0.039 4.703 4.740 0.005 0.000 0.239 149 N C 0.511 176.294 175.510 0.454 0.000 1.215 149 N CA 0.134 53.399 53.050 0.358 0.000 0.882 149 N CB -0.242 38.405 38.487 0.266 0.000 1.189 149 N HN 0.529 nan 8.380 nan 0.000 0.490 150 W N -0.912 120.517 121.300 0.214 0.000 2.868 150 W HA 0.404 5.068 4.660 0.006 0.000 0.320 150 W C -0.535 175.675 176.519 -0.515 0.000 1.076 150 W CA -0.160 57.122 57.345 -0.105 0.000 1.576 150 W CB 0.273 29.678 29.460 -0.091 0.000 1.030 150 W HN -0.093 nan 8.180 nan 0.000 0.558 151 F N -0.128 119.989 119.950 0.278 0.000 2.740 151 F HA 0.421 4.951 4.527 0.005 0.000 0.357 151 F C 0.313 176.216 175.800 0.172 0.000 1.141 151 F CA -1.564 56.543 58.000 0.178 0.000 1.044 151 F CB 0.551 39.683 39.000 0.219 0.000 1.430 151 F HN -0.600 nan 8.300 nan 0.000 0.518 152 K N 1.518 122.145 120.400 0.378 0.000 2.291 152 K HA 0.380 4.702 4.320 0.005 0.000 0.242 152 K C -1.102 175.645 176.600 0.245 0.000 1.098 152 K CA -0.280 56.162 56.287 0.258 0.000 1.036 152 K CB 0.547 33.184 32.500 0.229 0.000 1.655 152 K HN 0.314 nan 8.250 nan 0.000 0.432 153 I N 2.477 123.150 120.570 0.172 0.000 2.322 153 I HA 0.001 4.173 4.170 0.005 0.000 0.292 153 I C 0.987 177.026 176.117 -0.131 0.000 1.060 153 I CA 0.196 61.509 61.300 0.021 0.000 1.309 153 I CB 0.412 38.351 38.000 -0.100 0.000 1.415 153 I HN 0.506 nan 8.210 nan 0.000 0.492 154 E N 4.639 124.772 120.200 -0.111 0.000 2.001 154 E HA 0.099 4.452 4.350 0.005 0.000 0.193 154 E C 0.866 177.314 176.600 -0.254 0.000 0.994 154 E CA 1.002 57.325 56.400 -0.130 0.000 0.815 154 E CB -0.089 29.565 29.700 -0.077 0.000 0.770 154 E HN 0.815 nan 8.360 nan 0.000 0.453 155 G N -1.502 107.089 108.800 -0.349 0.000 2.896 155 G HA2 0.388 4.350 3.960 0.005 0.000 0.247 155 G HA3 0.388 4.350 3.960 0.005 0.000 0.247 155 G C -1.721 172.854 174.900 -0.541 0.000 1.187 155 G CA -0.705 44.167 45.100 -0.379 0.000 0.837 155 G HN 0.089 nan 8.290 nan 0.000 0.559 156 W N -0.061 121.269 121.300 0.050 0.000 3.213 156 W HA 0.509 5.171 4.660 0.005 0.000 0.318 156 W C -2.350 174.196 176.519 0.044 0.000 1.248 156 W CA -0.795 56.574 57.345 0.039 0.000 1.187 156 W CB 0.991 30.453 29.460 0.004 0.000 1.403 156 W HN 0.400 nan 8.180 nan 0.000 0.556 157 P HA 0.496 nan 4.420 nan 0.000 0.281 157 P C -0.733 176.712 177.300 0.241 0.000 1.264 157 P CA -0.550 62.737 63.100 0.312 0.000 0.824 157 P CB 0.963 32.773 31.700 0.184 0.000 1.092 158 L N 0.182 121.554 121.223 0.248 0.000 2.325 158 L HA 0.479 4.822 4.340 0.005 0.000 0.279 158 L C 0.552 177.526 176.870 0.173 0.000 1.054 158 L CA -0.353 54.620 54.840 0.222 0.000 0.804 158 L CB 1.370 43.592 42.059 0.272 0.000 1.200 158 L HN 0.341 nan 8.230 nan 0.000 0.436 159 S N 2.888 118.695 115.700 0.177 0.000 2.078 159 S HA 0.315 4.787 4.470 0.005 0.000 0.168 159 S C -1.312 173.394 174.600 0.178 0.000 1.542 159 S CA -1.357 56.916 58.200 0.121 0.000 1.223 159 S CB 0.328 63.579 63.200 0.086 0.000 1.152 159 S HN 0.481 nan 8.310 nan 0.000 0.452 160 P HA -0.110 nan 4.420 nan 0.000 0.221 160 P C 0.187 177.464 177.300 -0.038 0.000 1.145 160 P CA 1.205 64.451 63.100 0.242 0.000 0.795 160 P CB -0.029 31.822 31.700 0.252 0.000 0.775 161 Y N -1.737 118.639 120.300 0.126 0.000 2.572 161 Y HA 0.170 4.723 4.550 0.005 0.000 0.274 161 Y C 2.481 178.418 175.900 0.062 0.000 1.135 161 Y CA -0.118 58.036 58.100 0.091 0.000 1.230 161 Y CB -0.736 37.763 38.460 0.064 0.000 1.293 161 Y HN -0.138 nan 8.280 nan 0.000 0.501 162 N N -0.228 118.578 118.700 0.178 0.000 2.004 162 N HA -0.099 4.643 4.740 0.005 0.000 0.196 162 N C 1.671 177.264 175.510 0.138 0.000 1.080 162 N CA 2.475 55.586 53.050 0.101 0.000 0.881 162 N CB -0.330 38.133 38.487 -0.040 0.000 1.073 162 N HN 0.442 nan 8.380 nan 0.000 0.439 163 G N -0.498 108.399 108.800 0.161 0.000 2.905 163 G HA2 -0.220 3.743 3.960 0.005 0.000 0.199 163 G HA3 -0.220 3.743 3.960 0.005 0.000 0.199 163 G C 0.695 175.713 174.900 0.198 0.000 1.370 163 G CA 0.326 45.516 45.100 0.150 0.000 0.966 163 G HN 0.453 nan 8.290 nan 0.000 0.522 164 E N 0.201 120.562 120.200 0.269 0.000 2.333 164 E HA 0.011 4.363 4.350 0.005 0.000 0.200 164 E C 0.126 176.850 176.600 0.206 0.000 1.010 164 E CA 0.780 57.320 56.400 0.234 0.000 0.841 164 E CB -0.114 29.744 29.700 0.263 0.000 0.757 164 E HN 0.423 nan 8.360 nan 0.000 0.508 165 F N -0.080 119.887 119.950 0.028 0.000 2.470 165 F HA 0.329 4.859 4.527 0.004 0.000 0.329 165 F C -2.027 173.778 175.800 0.008 0.000 1.072 165 F CA -3.814 54.200 58.000 0.024 0.000 0.989 165 F CB -0.060 38.964 39.000 0.040 0.000 1.193 165 F HN -0.318 nan 8.300 nan 0.000 0.481 166 P HA 0.078 nan 4.420 nan 0.000 0.261 166 P C -0.941 176.417 177.300 0.097 0.000 1.173 166 P CA 0.073 63.221 63.100 0.080 0.000 0.760 166 P CB 0.198 31.932 31.700 0.056 0.000 0.783 167 A N 3.532 126.345 122.820 -0.012 0.000 2.309 167 A HA 0.227 4.550 4.320 0.005 0.000 0.290 167 A C 0.423 177.918 177.584 -0.149 0.000 1.206 167 A CA -0.412 51.582 52.037 -0.071 0.000 0.850 167 A CB -0.383 18.448 19.000 -0.283 0.000 1.118 167 A HN 0.476 nan 8.150 nan 0.000 0.523 168 N N 1.599 120.292 118.700 -0.012 0.000 2.878 168 N HA 0.324 5.067 4.740 0.005 0.000 0.282 168 N C -0.986 174.533 175.510 0.015 0.000 1.284 168 N CA 0.272 53.291 53.050 -0.051 0.000 1.053 168 N CB -0.352 38.074 38.487 -0.101 0.000 1.382 168 N HN 0.687 nan 8.380 nan 0.000 0.529 169 Y N -3.952 116.352 120.300 0.008 0.000 2.534 169 Y HA 0.609 5.161 4.550 0.004 0.000 0.345 169 Y C -0.695 175.254 175.900 0.081 0.000 1.031 169 Y CA -1.635 56.501 58.100 0.059 0.000 1.022 169 Y CB 0.532 39.086 38.460 0.156 0.000 1.292 169 Y HN -0.300 nan 8.280 nan 0.000 0.459 170 V N 2.963 123.019 119.914 0.237 0.000 2.508 170 V HA 0.571 4.694 4.120 0.005 0.000 0.281 170 V C 0.593 176.828 176.094 0.235 0.000 1.041 170 V CA 0.546 62.935 62.300 0.149 0.000 1.016 170 V CB 0.631 32.552 31.823 0.163 0.000 0.984 170 V HN 1.039 nan 8.190 nan 0.000 0.478 171 G N 4.474 113.338 108.800 0.106 0.000 2.530 171 G HA2 0.390 4.353 3.960 0.005 0.000 0.316 171 G HA3 0.390 4.353 3.960 0.005 0.000 0.316 171 G C -0.444 174.529 174.900 0.122 0.000 1.298 171 G CA -0.681 44.514 45.100 0.158 0.000 0.948 171 G HN 0.891 nan 8.290 nan 0.000 0.486 172 W N 2.741 124.025 121.300 -0.028 0.000 2.561 172 W HA 0.129 4.791 4.660 0.004 0.000 0.343 172 W C 0.686 177.164 176.519 -0.069 0.000 1.190 172 W CA 0.781 58.072 57.345 -0.091 0.000 1.232 172 W CB -0.248 28.965 29.460 -0.411 0.000 1.195 172 W HN 1.623 nan 8.180 nan 0.000 0.571 173 A N 4.838 127.191 122.820 -0.778 0.000 2.869 173 A HA -0.087 4.236 4.320 0.005 0.000 0.280 173 A C 1.372 178.751 177.584 -0.341 0.000 1.458 173 A CA 1.951 53.537 52.037 -0.752 0.000 0.776 173 A CB -1.945 16.380 19.000 -1.124 0.000 1.028 173 A HN 2.599 nan 8.150 nan 0.000 0.547 174 G N -1.551 107.127 108.800 -0.203 0.000 2.225 174 G HA2 -0.276 3.687 3.960 0.005 0.000 0.267 174 G HA3 -0.276 3.687 3.960 0.005 0.000 0.267 174 G C -0.110 174.739 174.900 -0.084 0.000 1.024 174 G CA 0.845 45.872 45.100 -0.121 0.000 0.784 174 G HN 1.773 nan 8.290 nan 0.000 0.507 175 N N 0.075 118.746 118.700 -0.050 0.000 2.399 175 N HA 0.347 5.089 4.740 0.005 0.000 0.295 175 N C 1.429 176.967 175.510 0.047 0.000 1.048 175 N CA -0.880 52.183 53.050 0.021 0.000 0.886 175 N CB 0.586 39.129 38.487 0.094 0.000 1.185 175 N HN 0.435 nan 8.380 nan 0.000 0.487 176 R N 2.127 122.648 120.500 0.035 0.000 2.449 176 R HA 0.289 4.632 4.340 0.005 0.000 0.262 176 R C 0.303 176.707 176.300 0.173 0.000 1.006 176 R CA -0.019 56.122 56.100 0.067 0.000 1.104 176 R CB -0.027 30.260 30.300 -0.022 0.000 1.206 176 R HN 0.368 nan 8.270 nan 0.000 0.538 177 A N 0.624 123.555 122.820 0.184 0.000 2.259 177 A HA 0.255 4.578 4.320 0.005 0.000 0.213 177 A C 0.635 178.422 177.584 0.338 0.000 1.209 177 A CA -0.135 52.035 52.037 0.220 0.000 0.910 177 A CB 0.655 19.816 19.000 0.268 0.000 0.946 177 A HN 0.174 nan 8.150 nan 0.000 0.497 178 L N 2.283 123.659 121.223 0.255 0.000 2.719 178 L HA 0.287 4.630 4.340 0.005 0.000 0.236 178 L C -2.698 174.280 176.870 0.180 0.000 1.221 178 L CA -1.858 53.084 54.840 0.170 0.000 1.048 178 L CB -0.183 41.818 42.059 -0.098 0.000 1.364 178 L HN 0.111 nan 8.230 nan 0.000 0.447 179 P HA -0.015 nan 4.420 nan 0.000 0.258 179 P C 0.082 177.516 177.300 0.223 0.000 1.187 179 P CA 0.278 63.332 63.100 -0.076 0.000 0.767 179 P CB 0.757 31.736 31.700 -1.202 0.000 0.770 180 E N 2.596 123.011 120.200 0.360 0.000 2.383 180 E HA 0.157 4.510 4.350 0.005 0.000 0.264 180 E C 0.034 176.851 176.600 0.362 0.000 1.050 180 E CA -0.198 56.479 56.400 0.462 0.000 0.896 180 E CB 0.279 30.227 29.700 0.413 0.000 0.982 180 E HN 0.340 nan 8.360 nan 0.000 0.424 181 F N 1.426 121.430 119.950 0.090 0.000 2.378 181 F HA 0.099 4.629 4.527 0.005 0.000 0.319 181 F C 1.132 176.820 175.800 -0.187 0.000 1.155 181 F CA -0.573 57.254 58.000 -0.288 0.000 1.157 181 F CB 0.381 38.963 39.000 -0.697 0.000 1.252 181 F HN 0.313 nan 8.300 nan 0.000 0.550 182 N N 0.168 118.784 118.700 -0.140 0.000 3.105 182 N HA 0.115 4.858 4.740 0.005 0.000 0.256 182 N C 0.408 175.855 175.510 -0.104 0.000 1.174 182 N CA -0.057 52.976 53.050 -0.029 0.000 1.030 182 N CB -0.416 38.058 38.487 -0.022 0.000 1.305 182 N HN 0.445 nan 8.380 nan 0.000 0.509 183 H N -0.105 118.968 119.070 0.004 0.000 2.492 183 H HA -0.090 4.469 4.556 0.005 0.000 0.296 183 H C 0.815 176.150 175.328 0.011 0.000 1.095 183 H CA 1.413 57.469 56.048 0.014 0.000 1.281 183 H CB 0.354 30.116 29.762 -0.000 0.000 1.374 183 H HN 0.511 nan 8.280 nan 0.000 0.545 184 D N 0.208 120.671 120.400 0.106 0.000 2.097 184 D HA -0.141 4.501 4.640 0.005 0.000 0.195 184 D C 0.892 177.188 176.300 -0.007 0.000 0.989 184 D CA 0.675 54.710 54.000 0.058 0.000 0.827 184 D CB -0.599 40.235 40.800 0.058 0.000 0.966 184 D HN 0.251 nan 8.370 nan 0.000 0.456 185 N N 1.908 120.578 118.700 -0.051 0.000 2.394 185 N HA -0.066 4.677 4.740 0.005 0.000 0.277 185 N C -1.586 173.825 175.510 -0.165 0.000 1.346 185 N CA -0.737 52.252 53.050 -0.103 0.000 0.910 185 N CB 1.296 39.678 38.487 -0.175 0.000 1.201 185 N HN 0.013 nan 8.380 nan 0.000 0.488 186 P HA -0.187 nan 4.420 nan 0.000 0.217 186 P C 0.567 177.774 177.300 -0.155 0.000 1.148 186 P CA 1.449 64.477 63.100 -0.120 0.000 0.828 186 P CB 0.375 32.038 31.700 -0.061 0.000 0.783 187 E N -0.222 119.897 120.200 -0.134 0.000 2.077 187 E HA -0.094 4.259 4.350 0.005 0.000 0.193 187 E C 2.189 178.559 176.600 -0.383 0.000 0.989 187 E CA 0.981 57.325 56.400 -0.094 0.000 0.800 187 E CB -0.542 29.263 29.700 0.175 0.000 0.746 187 E HN 0.121 nan 8.360 nan 0.000 0.452 188 V N 1.158 120.635 119.914 -0.728 0.000 2.358 188 V HA -0.244 3.878 4.120 0.005 0.000 0.246 188 V C 2.397 178.206 176.094 -0.475 0.000 1.047 188 V CA 1.827 63.591 62.300 -0.894 0.000 1.035 188 V CB -0.459 30.851 31.823 -0.855 0.000 0.658 188 V HN 0.114 nan 8.190 nan 0.000 0.452 189 R N 0.049 120.324 120.500 -0.376 0.000 2.096 189 R HA -0.178 4.164 4.340 0.005 0.000 0.240 189 R C 2.376 178.452 176.300 -0.374 0.000 1.139 189 R CA 1.628 57.483 56.100 -0.409 0.000 0.952 189 R CB -0.334 29.737 30.300 -0.381 0.000 0.854 189 R HN 0.415 nan 8.270 nan 0.000 0.436 190 E N -0.672 119.376 120.200 -0.254 0.000 2.051 190 E HA -0.222 4.130 4.350 0.005 0.000 0.192 190 E C 1.773 178.297 176.600 -0.127 0.000 0.991 190 E CA 1.375 57.675 56.400 -0.165 0.000 0.799 190 E CB -0.521 29.141 29.700 -0.065 0.000 0.748 190 E HN 0.458 nan 8.360 nan 0.000 0.449 191 Y N 0.927 121.094 120.300 -0.221 0.000 2.165 191 Y HA -0.217 4.336 4.550 0.005 0.000 0.286 191 Y C 2.275 178.018 175.900 -0.261 0.000 1.155 191 Y CA 1.659 59.673 58.100 -0.144 0.000 1.164 191 Y CB -0.157 38.237 38.460 -0.110 0.000 0.978 191 Y HN -0.016 nan 8.280 nan 0.000 0.513 192 I N -0.571 119.771 120.570 -0.379 0.000 2.142 192 I HA -0.357 3.815 4.170 0.005 0.000 0.240 192 I C 2.219 177.938 176.117 -0.663 0.000 1.078 192 I CA 1.217 62.106 61.300 -0.685 0.000 1.343 192 I CB -0.419 37.202 38.000 -0.632 0.000 1.046 192 I HN 0.287 nan 8.210 nan 0.000 0.405 193 M N 0.153 119.455 119.600 -0.496 0.000 2.195 193 M HA -0.249 4.234 4.480 0.005 0.000 0.260 193 M C 2.026 178.114 176.300 -0.353 0.000 1.066 193 M CA 1.771 56.803 55.300 -0.447 0.000 1.089 193 M CB -1.395 30.989 32.600 -0.360 0.000 1.377 193 M HN 0.294 nan 8.290 nan 0.000 0.411 194 E N 0.153 120.178 120.200 -0.291 0.000 2.152 194 E HA -0.060 4.293 4.350 0.005 0.000 0.192 194 E C 2.099 178.607 176.600 -0.153 0.000 0.983 194 E CA 0.700 57.003 56.400 -0.162 0.000 0.818 194 E CB -0.045 29.598 29.700 -0.095 0.000 0.758 194 E HN 0.487 nan 8.360 nan 0.000 0.467 195 I N 0.843 121.183 120.570 -0.383 0.000 2.252 195 I HA -0.239 3.933 4.170 0.005 0.000 0.245 195 I C 2.489 178.620 176.117 0.023 0.000 1.102 195 I CA 0.805 61.870 61.300 -0.391 0.000 1.385 195 I CB -0.277 37.329 38.000 -0.657 0.000 1.064 195 I HN 0.096 nan 8.210 nan 0.000 0.414 196 A N 0.675 123.369 122.820 -0.210 0.000 1.877 196 A HA -0.220 4.103 4.320 0.005 0.000 0.216 196 A C 2.213 179.996 177.584 0.331 0.000 1.186 196 A CA 1.672 53.688 52.037 -0.036 0.000 0.620 196 A CB -0.582 18.024 19.000 -0.657 0.000 0.822 196 A HN 0.415 nan 8.150 nan 0.000 0.443 197 E N -1.604 118.644 120.200 0.082 0.000 2.051 197 E HA -0.223 4.129 4.350 0.005 0.000 0.192 197 E C 1.888 178.604 176.600 0.194 0.000 0.991 197 E CA 1.478 57.948 56.400 0.117 0.000 0.799 197 E CB -0.374 29.341 29.700 0.025 0.000 0.748 197 E HN 0.746 nan 8.360 nan 0.000 0.449 198 Y N 0.171 120.500 120.300 0.048 0.000 2.053 198 Y HA -0.299 4.253 4.550 0.004 0.000 0.277 198 Y C 1.741 177.631 175.900 -0.017 0.000 1.159 198 Y CA 1.938 60.013 58.100 -0.042 0.000 1.125 198 Y CB -0.617 37.730 38.460 -0.188 0.000 0.969 198 Y HN 0.099 nan 8.280 nan 0.000 0.492 199 W N -0.000 121.458 121.300 0.264 0.000 2.402 199 W HA -0.121 4.541 4.660 0.004 0.000 0.286 199 W C 2.282 178.906 176.519 0.176 0.000 1.221 199 W CA 0.964 58.413 57.345 0.173 0.000 1.257 199 W CB -0.349 29.305 29.460 0.322 0.000 1.120 199 W HN 0.091 nan 8.180 nan 0.000 0.551 200 L N 0.234 121.700 121.223 0.406 0.000 2.056 200 L HA -0.185 4.157 4.340 0.005 0.000 0.207 200 L C 2.288 179.262 176.870 0.173 0.000 1.078 200 L CA 1.362 56.367 54.840 0.274 0.000 0.749 200 L CB -0.685 41.538 42.059 0.273 0.000 0.901 200 L HN -0.058 nan 8.230 nan 0.000 0.433 201 K N -0.553 119.909 120.400 0.105 0.000 2.097 201 K HA -0.186 4.136 4.320 0.005 0.000 0.205 201 K C 2.036 178.637 176.600 0.002 0.000 1.050 201 K CA 1.289 57.591 56.287 0.024 0.000 0.938 201 K CB -0.238 32.250 32.500 -0.021 0.000 0.718 201 K HN 0.080 nan 8.250 nan 0.000 0.442 202 F N 0.765 120.605 119.950 -0.183 0.000 2.202 202 F HA -0.180 4.350 4.527 0.004 0.000 0.301 202 F C 1.187 176.993 175.800 0.010 0.000 1.082 202 F CA 1.795 59.702 58.000 -0.155 0.000 1.313 202 F CB 0.204 39.111 39.000 -0.156 0.000 1.024 202 F HN 0.221 nan 8.300 nan 0.000 0.495 203 G N 0.426 109.379 108.800 0.255 0.000 2.148 203 G HA2 -0.144 3.819 3.960 0.005 0.000 0.120 203 G HA3 -0.144 3.819 3.960 0.005 0.000 0.120 203 G C 0.184 175.241 174.900 0.262 0.000 1.034 203 G CA -0.137 45.062 45.100 0.165 0.000 0.710 203 G HN 0.653 nan 8.290 nan 0.000 0.495 204 I N -2.529 118.226 120.570 0.308 0.000 2.764 204 I HA 0.658 4.830 4.170 0.005 0.000 0.294 204 I C 0.406 176.598 176.117 0.124 0.000 1.045 204 I CA -0.594 60.836 61.300 0.217 0.000 1.340 204 I CB 0.947 39.046 38.000 0.165 0.000 1.436 204 I HN -0.142 nan 8.210 nan 0.000 0.567 205 D N 2.742 123.200 120.400 0.096 0.000 2.379 205 D HA 0.312 4.955 4.640 0.005 0.000 0.208 205 D C 0.558 177.015 176.300 0.263 0.000 1.065 205 D CA 0.558 54.626 54.000 0.114 0.000 0.848 205 D CB 1.212 42.010 40.800 -0.003 0.000 0.949 205 D HN 0.900 nan 8.370 nan 0.000 0.509 206 G N -0.147 108.738 108.800 0.140 0.000 2.317 206 G HA2 0.272 4.234 3.960 0.005 0.000 0.293 206 G HA3 0.272 4.234 3.960 0.005 0.000 0.293 206 G C -2.121 172.725 174.900 -0.089 0.000 1.287 206 G CA -1.032 44.167 45.100 0.164 0.000 0.850 206 G HN 0.021 nan 8.290 nan 0.000 0.515 207 W N 0.737 122.111 121.300 0.124 0.000 2.656 207 W HA 0.711 5.373 4.660 0.003 0.000 0.327 207 W C 0.522 176.910 176.519 -0.218 0.000 1.041 207 W CA -0.794 56.575 57.345 0.039 0.000 1.229 207 W CB 1.869 31.479 29.460 0.250 0.000 1.397 207 W HN 0.446 nan 8.180 nan 0.000 0.479 208 R N 3.975 124.462 120.500 -0.021 0.000 2.357 208 R HA 0.460 4.802 4.340 0.005 0.000 0.296 208 R C -1.002 175.115 176.300 -0.304 0.000 1.052 208 R CA -0.335 55.615 56.100 -0.250 0.000 0.988 208 R CB 0.576 30.750 30.300 -0.210 0.000 1.025 208 R HN 0.651 nan 8.270 nan 0.000 0.469 209 L N 4.140 125.016 121.223 -0.578 0.000 2.276 209 L HA 0.239 4.582 4.340 0.005 0.000 0.286 209 L C -0.241 176.201 176.870 -0.713 0.000 1.024 209 L CA -0.795 53.595 54.840 -0.750 0.000 0.826 209 L CB 1.506 42.852 42.059 -1.189 0.000 1.211 209 L HN 0.617 nan 8.230 nan 0.000 0.422 210 D N 2.750 122.787 120.400 -0.605 0.000 2.371 210 D HA 0.188 4.831 4.640 0.005 0.000 0.256 210 D C 0.602 176.474 176.300 -0.714 0.000 1.193 210 D CA -0.092 53.590 54.000 -0.530 0.000 0.881 210 D CB 0.923 41.511 40.800 -0.353 0.000 1.143 210 D HN 0.305 nan 8.370 nan 0.000 0.473 211 V N 4.951 124.352 119.914 -0.854 0.000 5.578 211 V HA -0.177 3.946 4.120 0.005 0.000 0.275 211 V C -1.250 174.078 176.094 -1.276 0.000 0.642 211 V CA 0.739 62.266 62.300 -1.289 0.000 0.613 211 V CB -1.385 29.827 31.823 -1.018 0.000 0.301 211 V HN 0.805 nan 8.190 nan 0.000 0.782 212 P HA -0.110 nan 4.420 nan 0.000 0.234 212 P C 1.258 178.202 177.300 -0.593 0.000 1.167 212 P CA 1.225 63.828 63.100 -0.829 0.000 0.763 212 P CB -0.027 30.902 31.700 -1.285 0.000 0.835 213 F N -0.637 119.015 119.950 -0.497 0.000 2.780 213 F HA 0.255 4.784 4.527 0.004 0.000 0.299 213 F C 1.727 177.549 175.800 0.036 0.000 1.146 213 F CA 0.036 57.883 58.000 -0.256 0.000 1.428 213 F CB -1.235 37.547 39.000 -0.364 0.000 1.115 213 F HN -0.234 nan 8.300 nan 0.000 0.583 214 E N 1.482 121.593 120.200 -0.149 0.000 2.299 214 E HA 0.112 4.465 4.350 0.005 0.000 0.193 214 E C 0.778 177.342 176.600 -0.061 0.000 0.998 214 E CA 0.400 56.833 56.400 0.055 0.000 0.851 214 E CB 0.077 29.810 29.700 0.056 0.000 0.795 214 E HN 0.465 nan 8.360 nan 0.000 0.492 215 I N 3.219 123.653 120.570 -0.227 0.000 2.278 215 I HA 0.024 4.197 4.170 0.005 0.000 0.296 215 I C 1.191 177.191 176.117 -0.195 0.000 1.121 215 I CA 0.086 61.074 61.300 -0.521 0.000 1.267 215 I CB 0.334 37.703 38.000 -1.050 0.000 1.447 215 I HN -0.131 nan 8.210 nan 0.000 0.509 216 K N 2.611 122.970 120.400 -0.069 0.000 2.397 216 K HA 0.185 4.508 4.320 0.005 0.000 0.202 216 K C 0.161 176.788 176.600 0.046 0.000 1.022 216 K CA -0.170 56.154 56.287 0.063 0.000 1.141 216 K CB -0.250 32.316 32.500 0.110 0.000 0.857 216 K HN 0.307 nan 8.250 nan 0.000 0.514 217 T N 5.822 120.385 114.554 0.014 0.000 2.793 217 T HA 0.069 4.421 4.350 0.005 0.000 0.289 217 T C -2.237 172.518 174.700 0.093 0.000 0.956 217 T CA -0.841 61.309 62.100 0.083 0.000 1.177 217 T CB 0.355 69.324 68.868 0.168 0.000 0.897 217 T HN 0.225 nan 8.240 nan 0.000 0.533 218 P HA 0.126 nan 4.420 nan 0.000 0.265 218 P C 1.037 178.369 177.300 0.053 0.000 1.193 218 P CA 0.441 63.575 63.100 0.056 0.000 0.765 218 P CB 0.474 32.194 31.700 0.032 0.000 0.823 219 G N 2.221 111.057 108.800 0.060 0.000 2.225 219 G HA2 -0.373 3.590 3.960 0.005 0.000 0.254 219 G HA3 -0.373 3.590 3.960 0.005 0.000 0.254 219 G C 0.592 175.515 174.900 0.039 0.000 0.988 219 G CA 0.235 45.358 45.100 0.039 0.000 0.625 219 G HN 0.461 nan 8.290 nan 0.000 0.527 220 F N 0.639 120.512 119.950 -0.127 0.000 1.993 220 F HA 0.027 4.557 4.527 0.004 0.000 0.297 220 F C 2.529 178.209 175.800 -0.200 0.000 1.177 220 F CA 2.666 60.495 58.000 -0.284 0.000 1.182 220 F CB -0.706 37.949 39.000 -0.574 0.000 0.958 220 F HN 0.262 nan 8.300 nan 0.000 0.496 221 W N 0.903 122.529 121.300 0.543 0.000 2.387 221 W HA -0.200 4.462 4.660 0.004 0.000 0.272 221 W C 2.423 179.103 176.519 0.269 0.000 1.224 221 W CA 0.731 58.320 57.345 0.406 0.000 1.210 221 W CB -0.505 29.068 29.460 0.187 0.000 1.125 221 W HN 0.261 nan 8.180 nan 0.000 0.572 222 Q N 0.536 120.531 119.800 0.325 0.000 2.083 222 Q HA -0.179 4.164 4.340 0.005 0.000 0.198 222 Q C 1.802 177.901 176.000 0.165 0.000 0.969 222 Q CA 1.550 57.475 55.803 0.204 0.000 0.838 222 Q CB -1.050 27.754 28.738 0.111 0.000 0.900 222 Q HN 0.508 nan 8.270 nan 0.000 0.436 223 E N 0.562 120.816 120.200 0.090 0.000 2.077 223 E HA -0.163 4.189 4.350 0.005 0.000 0.193 223 E C 1.788 178.408 176.600 0.032 0.000 0.989 223 E CA 0.594 56.990 56.400 -0.006 0.000 0.800 223 E CB -0.184 29.430 29.700 -0.144 0.000 0.746 223 E HN 0.293 nan 8.360 nan 0.000 0.452 224 F N 1.531 121.476 119.950 -0.007 0.000 2.192 224 F HA -0.198 4.331 4.527 0.003 0.000 0.301 224 F C 2.487 178.395 175.800 0.179 0.000 1.079 224 F CA 1.772 59.829 58.000 0.095 0.000 1.303 224 F CB 0.029 39.262 39.000 0.389 0.000 1.024 224 F HN -0.084 nan 8.300 nan 0.000 0.494 225 R N 0.110 120.861 120.500 0.418 0.000 2.093 225 R HA -0.108 4.235 4.340 0.005 0.000 0.224 225 R C 1.837 178.228 176.300 0.151 0.000 1.101 225 R CA 1.637 57.930 56.100 0.322 0.000 0.979 225 R CB -0.339 30.146 30.300 0.309 0.000 0.877 225 R HN 0.266 nan 8.270 nan 0.000 0.441 226 D N 0.342 120.798 120.400 0.094 0.000 2.091 226 D HA -0.128 4.515 4.640 0.005 0.000 0.199 226 D C 1.962 178.265 176.300 0.006 0.000 0.980 226 D CA 1.119 55.146 54.000 0.046 0.000 0.831 226 D CB -0.157 40.658 40.800 0.026 0.000 0.987 226 D HN 0.203 nan 8.370 nan 0.000 0.460 227 R N 0.223 120.693 120.500 -0.049 0.000 2.152 227 R HA -0.040 4.303 4.340 0.005 0.000 0.232 227 R C 2.290 178.539 176.300 -0.086 0.000 1.117 227 R CA 1.110 57.155 56.100 -0.092 0.000 0.981 227 R CB -0.122 30.076 30.300 -0.170 0.000 0.870 227 R HN 0.099 nan 8.270 nan 0.000 0.451 228 T N 0.568 115.065 114.554 -0.096 0.000 2.735 228 T HA -0.032 4.321 4.350 0.005 0.000 0.256 228 T C 1.582 176.332 174.700 0.083 0.000 1.042 228 T CA 0.743 62.834 62.100 -0.016 0.000 1.147 228 T CB 0.082 68.955 68.868 0.009 0.000 0.865 228 T HN 0.040 nan 8.240 nan 0.000 0.421 229 K N 1.696 122.156 120.400 0.100 0.000 2.211 229 K HA 0.060 4.382 4.320 0.005 0.000 0.204 229 K C 2.410 179.058 176.600 0.079 0.000 1.047 229 K CA 1.061 57.415 56.287 0.111 0.000 0.935 229 K CB -0.690 31.878 32.500 0.112 0.000 0.728 229 K HN 0.349 nan 8.250 nan 0.000 0.452 230 A N 1.532 124.384 122.820 0.053 0.000 1.877 230 A HA -0.143 4.180 4.320 0.005 0.000 0.216 230 A C 2.276 179.886 177.584 0.043 0.000 1.186 230 A CA 1.348 53.407 52.037 0.038 0.000 0.620 230 A CB -0.538 18.472 19.000 0.017 0.000 0.822 230 A HN 0.204 nan 8.150 nan 0.000 0.443 231 I N -1.163 119.436 120.570 0.049 0.000 2.252 231 I HA -0.111 4.062 4.170 0.005 0.000 0.245 231 I C 0.608 176.767 176.117 0.070 0.000 1.102 231 I CA 0.985 62.320 61.300 0.057 0.000 1.385 231 I CB -0.106 37.937 38.000 0.072 0.000 1.064 231 I HN 0.307 nan 8.210 nan 0.000 0.414 232 N N 0.371 119.128 118.700 0.095 0.000 2.621 232 N HA 0.161 4.904 4.740 0.005 0.000 0.271 232 N C -2.053 173.534 175.510 0.129 0.000 1.181 232 N CA -1.813 51.300 53.050 0.106 0.000 0.805 232 N CB 1.401 39.963 38.487 0.125 0.000 1.351 232 N HN -0.174 nan 8.380 nan 0.000 0.539 233 P HA -0.092 nan 4.420 nan 0.000 0.223 233 P C 0.066 177.458 177.300 0.152 0.000 1.144 233 P CA 1.186 64.354 63.100 0.114 0.000 0.783 233 P CB 0.602 32.353 31.700 0.085 0.000 0.771 234 E N -0.665 119.647 120.200 0.187 0.000 2.499 234 E HA 0.297 4.650 4.350 0.005 0.000 0.199 234 E C 0.609 177.472 176.600 0.438 0.000 1.016 234 E CA -0.490 56.087 56.400 0.295 0.000 0.933 234 E CB 0.222 30.102 29.700 0.301 0.000 1.050 234 E HN 0.178 nan 8.360 nan 0.000 0.462 235 A N 0.975 123.996 122.820 0.334 0.000 2.388 235 A HA 0.220 4.543 4.320 0.005 0.000 0.257 235 A C -0.721 177.122 177.584 0.432 0.000 1.095 235 A CA -0.253 52.014 52.037 0.383 0.000 0.791 235 A CB 0.199 19.381 19.000 0.304 0.000 1.029 235 A HN 0.168 nan 8.150 nan 0.000 0.489 236 Y N 3.528 124.007 120.300 0.298 0.000 2.335 236 Y HA 0.488 5.040 4.550 0.003 0.000 0.339 236 Y C -0.634 175.344 175.900 0.130 0.000 0.987 236 Y CA -1.692 56.489 58.100 0.135 0.000 1.140 236 Y CB 0.805 39.312 38.460 0.079 0.000 1.173 236 Y HN 0.445 nan 8.280 nan 0.000 0.486 237 I N 8.332 128.843 120.570 -0.098 0.000 2.330 237 I HA 0.310 4.483 4.170 0.005 0.000 0.289 237 I C -0.825 174.882 176.117 -0.683 0.000 1.001 237 I CA -0.836 60.343 61.300 -0.202 0.000 1.193 237 I CB 0.784 38.860 38.000 0.127 0.000 1.345 237 I HN 0.317 nan 8.210 nan 0.000 0.461 238 V N 4.191 123.583 119.914 -0.870 0.000 2.483 238 V HA 0.727 4.850 4.120 0.005 0.000 0.297 238 V C 0.496 175.984 176.094 -1.011 0.000 1.027 238 V CA -0.737 60.986 62.300 -0.962 0.000 0.855 238 V CB 1.481 32.695 31.823 -1.014 0.000 0.995 238 V HN 0.832 nan 8.190 nan 0.000 0.424 239 G N 1.924 109.999 108.800 -1.207 0.000 2.356 239 G HA2 0.506 4.469 3.960 0.005 0.000 0.298 239 G HA3 0.506 4.469 3.960 0.005 0.000 0.298 239 G C -0.339 174.108 174.900 -0.755 0.000 1.145 239 G CA -0.389 43.913 45.100 -1.331 0.000 0.850 239 G HN 0.837 nan 8.290 nan 0.000 0.487 240 E N 1.779 121.568 120.200 -0.684 0.000 1.856 240 E HA 0.332 4.685 4.350 0.005 0.000 0.263 240 E C -0.619 175.603 176.600 -0.630 0.000 1.137 240 E CA -0.276 55.849 56.400 -0.459 0.000 1.007 240 E CB 0.384 29.867 29.700 -0.361 0.000 1.117 240 E HN 0.142 nan 8.360 nan 0.000 0.438 241 V N 5.017 124.671 119.914 -0.434 0.000 2.407 241 V HA 0.279 4.401 4.120 0.005 0.000 0.291 241 V C -0.831 175.136 176.094 -0.210 0.000 1.018 241 V CA -0.881 61.159 62.300 -0.433 0.000 0.842 241 V CB 0.452 32.089 31.823 -0.310 0.000 0.996 241 V HN 0.508 nan 8.190 nan 0.000 0.426 242 W N 3.651 124.921 121.300 -0.050 0.000 2.367 242 W HA 0.840 5.503 4.660 0.005 0.000 0.329 242 W C 0.576 177.064 176.519 -0.051 0.000 1.066 242 W CA -0.434 56.834 57.345 -0.128 0.000 1.435 242 W CB 0.294 29.435 29.460 -0.532 0.000 1.296 242 W HN 1.021 nan 8.180 nan 0.000 0.401 243 G N 1.978 110.925 108.800 0.244 0.000 2.343 243 G HA2 -0.069 3.894 3.960 0.005 0.000 0.465 243 G HA3 -0.069 3.894 3.960 0.005 0.000 0.465 243 G C -1.332 173.696 174.900 0.213 0.000 1.282 243 G CA -1.142 44.070 45.100 0.186 0.000 0.996 243 G HN 0.442 nan 8.290 nan 0.000 0.521 244 D N 0.045 120.557 120.400 0.186 0.000 2.479 244 D HA 0.345 4.988 4.640 0.005 0.000 0.257 244 D C 1.338 177.836 176.300 0.330 0.000 1.230 244 D CA 0.967 55.104 54.000 0.229 0.000 0.912 244 D CB 0.356 41.232 40.800 0.127 0.000 1.130 244 D HN 0.393 nan 8.370 nan 0.000 0.515 245 S N 3.453 119.427 115.700 0.457 0.000 2.582 245 S HA 0.107 4.579 4.470 0.005 0.000 0.234 245 S C 1.670 176.491 174.600 0.367 0.000 0.961 245 S CA -0.455 58.028 58.200 0.472 0.000 0.953 245 S CB 0.264 63.610 63.200 0.243 0.000 0.800 245 S HN 0.461 nan 8.310 nan 0.000 0.471 246 R N 1.567 122.286 120.500 0.365 0.000 2.170 246 R HA -0.188 4.155 4.340 0.005 0.000 0.242 246 R C 2.353 178.624 176.300 -0.050 0.000 1.145 246 R CA 1.302 57.531 56.100 0.216 0.000 0.984 246 R CB -0.218 30.178 30.300 0.160 0.000 0.869 246 R HN 0.518 nan 8.270 nan 0.000 0.455 247 Q N -0.055 119.579 119.800 -0.277 0.000 2.170 247 Q HA -0.170 4.172 4.340 0.005 0.000 0.203 247 Q C 0.859 176.394 176.000 -0.775 0.000 0.976 247 Q CA 1.258 56.635 55.803 -0.709 0.000 0.858 247 Q CB 0.154 28.055 28.738 -1.396 0.000 0.907 247 Q HN 0.483 nan 8.270 nan 0.000 0.433 248 W N -0.197 120.982 121.300 -0.202 0.000 3.132 248 W HA 0.284 4.947 4.660 0.005 0.000 0.364 248 W C -0.044 176.248 176.519 -0.377 0.000 1.129 248 W CA -0.192 56.876 57.345 -0.462 0.000 1.815 248 W CB 0.516 29.469 29.460 -0.846 0.000 1.099 248 W HN 0.060 nan 8.180 nan 0.000 0.605 249 L N 2.029 123.222 121.223 -0.051 0.000 2.999 249 L HA 0.109 4.452 4.340 0.005 0.000 0.263 249 L C 0.936 177.799 176.870 -0.013 0.000 1.320 249 L CA 0.008 54.815 54.840 -0.056 0.000 0.913 249 L CB -0.142 41.814 42.059 -0.172 0.000 1.296 249 L HN -0.176 nan 8.230 nan 0.000 0.546 250 D N -0.935 119.446 120.400 -0.032 0.000 2.360 250 D HA 0.097 4.740 4.640 0.005 0.000 0.210 250 D C 1.367 177.672 176.300 0.008 0.000 1.047 250 D CA 0.695 54.689 54.000 -0.009 0.000 0.854 250 D CB 0.795 41.574 40.800 -0.035 0.000 0.936 250 D HN 0.321 nan 8.370 nan 0.000 0.514 251 G N -0.044 108.761 108.800 0.008 0.000 2.184 251 G HA2 -0.265 3.697 3.960 0.005 0.000 0.206 251 G HA3 -0.265 3.697 3.960 0.005 0.000 0.206 251 G C 0.973 175.896 174.900 0.038 0.000 0.995 251 G CA 0.541 45.658 45.100 0.027 0.000 0.651 251 G HN 0.637 nan 8.290 nan 0.000 0.511 252 T N -2.780 111.791 114.554 0.028 0.000 3.044 252 T HA 0.547 4.899 4.350 0.005 0.000 0.260 252 T C 1.208 175.953 174.700 0.075 0.000 1.019 252 T CA 1.081 63.211 62.100 0.049 0.000 0.921 252 T CB 0.576 69.465 68.868 0.034 0.000 1.053 252 T HN 0.479 nan 8.240 nan 0.000 0.533 253 Q N -0.361 119.465 119.800 0.043 0.000 1.989 253 Q HA 0.474 4.816 4.340 0.005 0.000 0.166 253 Q C -0.684 175.403 176.000 0.146 0.000 0.536 253 Q CA -0.578 55.246 55.803 0.036 0.000 0.651 253 Q CB 0.554 29.154 28.738 -0.230 0.000 1.468 253 Q HN 0.347 nan 8.270 nan 0.000 0.350 254 F N 1.704 121.670 119.950 0.027 0.000 2.370 254 F HA 0.185 4.715 4.527 0.005 0.000 0.319 254 F C 0.956 176.717 175.800 -0.065 0.000 1.129 254 F CA -0.976 56.973 58.000 -0.085 0.000 1.109 254 F CB 0.224 39.078 39.000 -0.243 0.000 1.262 254 F HN 0.195 nan 8.300 nan 0.000 0.534 255 D N -0.045 120.434 120.400 0.131 0.000 2.348 255 D HA 0.294 4.936 4.640 0.005 0.000 0.211 255 D C 0.969 177.287 176.300 0.029 0.000 0.998 255 D CA 0.809 54.865 54.000 0.094 0.000 0.873 255 D CB 0.556 41.480 40.800 0.206 0.000 0.925 255 D HN 0.669 nan 8.370 nan 0.000 0.524 256 G N -0.524 108.250 108.800 -0.043 0.000 2.341 256 G HA2 0.354 4.316 3.960 0.005 0.000 0.293 256 G HA3 0.354 4.316 3.960 0.005 0.000 0.293 256 G C -1.292 173.467 174.900 -0.236 0.000 1.298 256 G CA -0.258 44.758 45.100 -0.141 0.000 0.868 256 G HN 0.179 nan 8.290 nan 0.000 0.540 257 V N -2.871 116.893 119.914 -0.250 0.000 3.156 257 V HA 0.877 4.999 4.120 0.005 0.000 0.311 257 V C 0.339 176.287 176.094 -0.242 0.000 1.208 257 V CA -1.375 60.756 62.300 -0.280 0.000 1.063 257 V CB 1.891 33.606 31.823 -0.181 0.000 1.098 257 V HN 0.890 nan 8.190 nan 0.000 0.452 258 M N 3.075 122.541 119.600 -0.223 0.000 2.193 258 M HA 0.322 4.805 4.480 0.005 0.000 0.342 258 M C 0.203 176.410 176.300 -0.154 0.000 1.413 258 M CA -0.028 55.127 55.300 -0.241 0.000 1.191 258 M CB -0.135 32.326 32.600 -0.231 0.000 1.633 258 M HN 0.703 nan 8.290 nan 0.000 0.458 259 N N 2.864 121.490 118.700 -0.124 0.000 2.543 259 N HA -0.029 4.713 4.740 0.005 0.000 0.289 259 N C -0.047 175.501 175.510 0.064 0.000 1.223 259 N CA 0.440 53.516 53.050 0.044 0.000 1.080 259 N CB 0.054 38.592 38.487 0.085 0.000 1.450 259 N HN 0.503 nan 8.380 nan 0.000 0.501 260 Y N 1.022 121.436 120.300 0.189 0.000 2.395 260 Y HA 0.044 4.596 4.550 0.004 0.000 0.293 260 Y C 1.954 177.982 175.900 0.214 0.000 1.123 260 Y CA 0.450 58.685 58.100 0.225 0.000 1.227 260 Y CB 0.198 38.801 38.460 0.238 0.000 1.012 260 Y HN 0.416 nan 8.280 nan 0.000 0.552 261 L N -1.092 120.328 121.223 0.329 0.000 2.549 261 L HA -0.201 4.142 4.340 0.005 0.000 0.230 261 L C 1.868 178.822 176.870 0.139 0.000 1.162 261 L CA 1.172 56.136 54.840 0.208 0.000 0.834 261 L CB -0.420 41.757 42.059 0.196 0.000 0.947 261 L HN 0.321 nan 8.230 nan 0.000 0.452 262 F N -0.091 119.862 119.950 0.005 0.000 2.559 262 F HA 0.215 4.745 4.527 0.004 0.000 0.286 262 F C 2.315 178.068 175.800 -0.079 0.000 1.108 262 F CA 0.620 58.528 58.000 -0.153 0.000 1.436 262 F CB -0.045 38.761 39.000 -0.323 0.000 1.130 262 F HN -0.086 nan 8.300 nan 0.000 0.584 263 A N 1.008 123.882 122.820 0.090 0.000 1.858 263 A HA 0.007 4.330 4.320 0.005 0.000 0.216 263 A C 2.448 180.010 177.584 -0.037 0.000 1.190 263 A CA 1.819 53.909 52.037 0.088 0.000 0.617 263 A CB -1.787 17.427 19.000 0.357 0.000 0.827 263 A HN 0.501 nan 8.150 nan 0.000 0.443 264 G N 0.165 108.980 108.800 0.025 0.000 2.545 264 G HA2 -0.194 3.768 3.960 0.005 0.000 0.217 264 G HA3 -0.194 3.768 3.960 0.005 0.000 0.217 264 G C -0.223 174.560 174.900 -0.195 0.000 1.218 264 G CA 1.418 46.429 45.100 -0.148 0.000 0.787 264 G HN 0.486 nan 8.290 nan 0.000 0.571 265 P HA -0.056 nan 4.420 nan 0.000 0.215 265 P C 2.111 179.322 177.300 -0.149 0.000 1.157 265 P CA 2.040 65.093 63.100 -0.079 0.000 0.868 265 P CB -0.306 31.388 31.700 -0.011 0.000 0.788 266 T N -0.230 114.153 114.554 -0.284 0.000 2.699 266 T HA -0.142 4.210 4.350 0.005 0.000 0.268 266 T C 1.687 176.191 174.700 -0.327 0.000 1.036 266 T CA 1.184 63.013 62.100 -0.452 0.000 1.147 266 T CB -0.727 67.711 68.868 -0.716 0.000 0.862 266 T HN -0.003 nan 8.240 nan 0.000 0.446 267 I N 1.414 121.836 120.570 -0.246 0.000 2.277 267 I HA -0.022 4.151 4.170 0.005 0.000 0.243 267 I C 3.042 179.041 176.117 -0.196 0.000 1.094 267 I CA 1.010 62.195 61.300 -0.191 0.000 1.393 267 I CB -1.649 36.247 38.000 -0.172 0.000 1.078 267 I HN 0.179 nan 8.210 nan 0.000 0.417 268 A N 1.036 123.744 122.820 -0.187 0.000 1.927 268 A HA -0.296 4.026 4.320 0.005 0.000 0.220 268 A C 2.273 179.766 177.584 -0.151 0.000 1.185 268 A CA 2.124 54.074 52.037 -0.145 0.000 0.639 268 A CB -1.022 17.906 19.000 -0.120 0.000 0.820 268 A HN 0.452 nan 8.150 nan 0.000 0.451 269 F N -0.005 119.710 119.950 -0.392 0.000 2.220 269 F HA 0.293 4.824 4.527 0.006 0.000 0.290 269 F C 2.459 178.028 175.800 -0.385 0.000 1.080 269 F CA 0.952 58.667 58.000 -0.475 0.000 1.318 269 F CB -0.497 37.952 39.000 -0.918 0.000 1.063 269 F HN 0.203 nan 8.300 nan 0.000 0.498 270 A N 0.005 122.562 122.820 -0.438 0.000 1.969 270 A HA 0.150 4.473 4.320 0.005 0.000 0.218 270 A C 2.126 179.512 177.584 -0.330 0.000 1.169 270 A CA 1.682 53.477 52.037 -0.405 0.000 0.635 270 A CB -1.205 17.686 19.000 -0.181 0.000 0.810 270 A HN 0.497 nan 8.150 nan 0.000 0.445 271 A N -2.221 120.441 122.820 -0.263 0.000 2.127 271 A HA 0.481 4.804 4.320 0.005 0.000 0.204 271 A C 1.924 179.385 177.584 -0.204 0.000 1.243 271 A CA 1.230 53.152 52.037 -0.193 0.000 0.887 271 A CB -0.859 18.064 19.000 -0.129 0.000 0.933 271 A HN 1.771 nan 8.150 nan 0.000 0.479 272 G N 1.439 110.100 108.800 -0.232 0.000 2.685 272 G HA2 -0.522 3.441 3.960 0.005 0.000 0.329 272 G HA3 -0.522 3.441 3.960 0.005 0.000 0.329 272 G C 0.656 175.468 174.900 -0.146 0.000 1.271 272 G CA 1.686 46.657 45.100 -0.213 0.000 1.003 272 G HN 0.901 nan 8.290 nan 0.000 0.549 273 D N 0.361 120.676 120.400 -0.142 0.000 2.310 273 D HA 0.013 4.655 4.640 0.005 0.000 0.212 273 D C 2.180 178.428 176.300 -0.086 0.000 0.965 273 D CA 1.417 55.356 54.000 -0.100 0.000 0.879 273 D CB -0.251 40.492 40.800 -0.094 0.000 0.921 273 D HN 0.621 nan 8.370 nan 0.000 0.510 274 R N 0.199 120.642 120.500 -0.095 0.000 2.280 274 R HA 0.113 4.455 4.340 0.005 0.000 0.207 274 R C 0.104 176.363 176.300 -0.067 0.000 1.043 274 R CA 0.020 56.074 56.100 -0.076 0.000 1.006 274 R CB 0.066 30.319 30.300 -0.078 0.000 0.885 274 R HN 0.132 nan 8.270 nan 0.000 0.467 275 V N 1.655 121.524 119.914 -0.074 0.000 2.450 275 V HA -0.086 4.037 4.120 0.005 0.000 0.281 275 V C 1.751 177.807 176.094 -0.064 0.000 1.019 275 V CA 0.229 62.488 62.300 -0.068 0.000 1.062 275 V CB 1.335 33.115 31.823 -0.070 0.000 0.979 275 V HN 0.047 nan 8.190 nan 0.000 0.477 276 V N 6.163 126.045 119.914 -0.054 0.000 2.282 276 V HA -0.195 3.928 4.120 0.005 0.000 0.249 276 V C 1.879 177.931 176.094 -0.070 0.000 1.057 276 V CA 1.791 64.060 62.300 -0.051 0.000 1.032 276 V CB -0.480 31.321 31.823 -0.037 0.000 0.645 276 V HN 0.832 nan 8.190 nan 0.000 0.447 277 L N -0.760 120.412 121.223 -0.085 0.000 4.351 277 L HA -0.247 4.095 4.340 0.005 0.000 0.410 277 L C 1.087 177.888 176.870 -0.114 0.000 1.150 277 L CA 1.687 56.448 54.840 -0.131 0.000 0.961 277 L CB -1.819 40.144 42.059 -0.159 0.000 2.130 277 L HN 0.600 nan 8.230 nan 0.000 0.787 278 E N -1.780 118.374 120.200 -0.077 0.000 2.485 278 E HA 0.108 4.461 4.350 0.005 0.000 0.213 278 E C 1.321 177.893 176.600 -0.047 0.000 0.923 278 E CA 0.037 56.399 56.400 -0.064 0.000 1.054 278 E CB 0.128 29.798 29.700 -0.050 0.000 1.077 278 E HN 0.401 nan 8.360 nan 0.000 0.509 279 Q N 0.507 120.287 119.800 -0.033 0.000 2.392 279 Q HA 0.102 4.444 4.340 0.005 0.000 0.203 279 Q C 0.344 176.358 176.000 0.023 0.000 0.917 279 Q CA 0.238 56.035 55.803 -0.010 0.000 0.939 279 Q CB 0.603 29.340 28.738 -0.000 0.000 1.063 279 Q HN 0.102 nan 8.270 nan 0.000 0.516 280 V N 3.051 122.974 119.914 0.016 0.000 2.420 280 V HA -0.108 4.015 4.120 0.005 0.000 0.274 280 V C 0.663 176.779 176.094 0.036 0.000 1.003 280 V CA 0.518 62.864 62.300 0.075 0.000 1.092 280 V CB -0.209 31.620 31.823 0.010 0.000 1.002 280 V HN 0.448 nan 8.190 nan 0.000 0.473 281 Q N 2.559 122.385 119.800 0.043 0.000 2.305 281 Q HA -0.219 4.124 4.340 0.005 0.000 0.203 281 Q C 1.298 177.400 176.000 0.170 0.000 0.663 281 Q CA 1.391 57.299 55.803 0.175 0.000 1.389 281 Q CB -1.585 27.086 28.738 -0.113 0.000 1.566 281 Q HN 1.028 nan 8.270 nan 0.000 0.755 282 S N -0.578 115.160 115.700 0.064 0.000 2.677 282 S HA 0.204 4.677 4.470 0.005 0.000 0.246 282 S C 1.078 175.650 174.600 -0.046 0.000 1.005 282 S CA -0.198 58.050 58.200 0.080 0.000 1.062 282 S CB 0.391 63.628 63.200 0.062 0.000 0.778 282 S HN 0.339 nan 8.310 nan 0.000 0.461 283 R N 0.179 120.570 120.500 -0.181 0.000 2.282 283 R HA 0.202 4.545 4.340 0.005 0.000 0.195 283 R C 0.097 176.039 176.300 -0.596 0.000 0.909 283 R CA 0.691 56.589 56.100 -0.336 0.000 1.039 283 R CB 0.030 30.096 30.300 -0.391 0.000 1.015 283 R HN 0.391 nan 8.270 nan 0.000 0.513 284 D N -0.737 119.337 120.400 -0.544 0.000 2.431 284 D HA 0.112 4.754 4.640 0.005 0.000 0.235 284 D C -0.035 176.071 176.300 -0.323 0.000 0.980 284 D CA 0.865 54.330 54.000 -0.891 0.000 0.912 284 D CB 0.557 40.766 40.800 -0.985 0.000 1.056 284 D HN 0.261 nan 8.370 nan 0.000 0.494 285 Y N -2.119 118.079 120.300 -0.170 0.000 2.656 285 Y HA 0.633 5.185 4.550 0.004 0.000 0.334 285 Y C -1.373 174.487 175.900 -0.066 0.000 1.179 285 Y CA -1.427 56.656 58.100 -0.028 0.000 1.050 285 Y CB 0.851 39.385 38.460 0.125 0.000 1.308 285 Y HN -0.449 nan 8.280 nan 0.000 0.456 286 Q N 2.847 122.578 119.800 -0.115 0.000 2.706 286 Q HA 0.304 4.646 4.340 0.005 0.000 0.250 286 Q C -2.442 173.215 176.000 -0.573 0.000 1.120 286 Q CA -2.263 53.213 55.803 -0.545 0.000 0.972 286 Q CB 1.169 29.564 28.738 -0.572 0.000 1.173 286 Q HN 0.365 nan 8.270 nan 0.000 0.522 287 P HA -0.016 nan 4.420 nan 0.000 0.249 287 P C -1.233 175.994 177.300 -0.122 0.000 1.593 287 P CA 0.174 63.068 63.100 -0.343 0.000 0.896 287 P CB -0.365 31.049 31.700 -0.477 0.000 1.581 288 Y N -2.363 117.839 120.300 -0.162 0.000 2.592 288 Y HA 0.716 5.269 4.550 0.005 0.000 0.334 288 Y C -2.935 172.922 175.900 -0.072 0.000 1.136 288 Y CA -2.963 55.069 58.100 -0.113 0.000 1.042 288 Y CB -0.077 38.318 38.460 -0.109 0.000 1.325 288 Y HN -0.283 nan 8.280 nan 0.000 0.457 289 P HA 0.387 nan 4.420 nan 0.000 0.279 289 P C -2.834 174.481 177.300 0.024 0.000 1.282 289 P CA -1.698 61.469 63.100 0.111 0.000 0.788 289 P CB 0.514 32.273 31.700 0.099 0.000 1.139 290 P HA 0.168 nan 4.420 nan 0.000 0.268 290 P C -0.519 176.755 177.300 -0.042 0.000 1.204 290 P CA 0.571 63.623 63.100 -0.080 0.000 0.768 290 P CB 0.257 31.869 31.700 -0.147 0.000 0.842 291 L N 2.893 124.096 121.223 -0.034 0.000 2.322 291 L HA 0.542 4.885 4.340 0.005 0.000 0.269 291 L C 0.049 177.005 176.870 0.143 0.000 1.012 291 L CA -0.796 54.117 54.840 0.121 0.000 0.815 291 L CB 0.742 42.885 42.059 0.139 0.000 1.295 291 L HN 0.235 nan 8.230 nan 0.000 0.438 292 F N -0.449 119.594 119.950 0.155 0.000 2.450 292 F HA 0.470 4.999 4.527 0.004 0.000 0.328 292 F C 1.261 177.181 175.800 0.199 0.000 1.068 292 F CA -0.276 57.847 58.000 0.206 0.000 1.007 292 F CB 1.318 40.379 39.000 0.100 0.000 1.251 292 F HN 0.544 nan 8.300 nan 0.000 0.492 293 A N 1.255 124.346 122.820 0.452 0.000 1.927 293 A HA -0.210 4.113 4.320 0.005 0.000 0.220 293 A C 2.155 179.744 177.584 0.009 0.000 1.185 293 A CA 2.477 54.572 52.037 0.098 0.000 0.639 293 A CB -1.392 17.783 19.000 0.291 0.000 0.820 293 A HN 0.841 nan 8.150 nan 0.000 0.451 294 A N -0.688 122.186 122.820 0.090 0.000 1.968 294 A HA -0.082 4.241 4.320 0.005 0.000 0.217 294 A C 1.904 179.492 177.584 0.006 0.000 1.169 294 A CA 1.429 53.483 52.037 0.027 0.000 0.638 294 A CB -0.385 18.614 19.000 -0.002 0.000 0.812 294 A HN 0.667 nan 8.150 nan 0.000 0.446 295 E N -1.656 118.578 120.200 0.057 0.000 2.107 295 E HA -0.152 4.200 4.350 0.005 0.000 0.191 295 E C 1.856 178.451 176.600 -0.008 0.000 0.982 295 E CA 1.169 57.594 56.400 0.041 0.000 0.809 295 E CB -0.293 29.481 29.700 0.123 0.000 0.756 295 E HN 0.739 nan 8.360 nan 0.000 0.459 296 Y N 1.716 121.873 120.300 -0.238 0.000 2.200 296 Y HA -0.175 4.379 4.550 0.006 0.000 0.290 296 Y C 2.238 177.880 175.900 -0.430 0.000 1.137 296 Y CA 1.179 59.014 58.100 -0.441 0.000 1.163 296 Y CB -0.560 37.358 38.460 -0.902 0.000 0.988 296 Y HN -0.020 nan 8.280 nan 0.000 0.518 297 A N -0.276 122.295 122.820 -0.414 0.000 1.865 297 A HA -0.249 4.074 4.320 0.005 0.000 0.217 297 A C 2.321 179.815 177.584 -0.151 0.000 1.191 297 A CA 3.006 54.917 52.037 -0.210 0.000 0.623 297 A CB -1.582 17.493 19.000 0.124 0.000 0.826 297 A HN 0.596 nan 8.150 nan 0.000 0.444 298 T N -2.172 112.319 114.554 -0.106 0.000 2.788 298 T HA -0.132 4.221 4.350 0.005 0.000 0.268 298 T C 1.856 176.487 174.700 -0.114 0.000 1.044 298 T CA 1.707 63.759 62.100 -0.080 0.000 1.139 298 T CB -0.171 68.666 68.868 -0.053 0.000 0.867 298 T HN 0.338 nan 8.240 nan 0.000 0.454 299 K N 0.711 121.018 120.400 -0.155 0.000 2.025 299 K HA 0.151 4.474 4.320 0.005 0.000 0.207 299 K C 2.157 178.629 176.600 -0.213 0.000 1.049 299 K CA 0.740 56.934 56.287 -0.156 0.000 0.933 299 K CB -0.595 31.826 32.500 -0.133 0.000 0.714 299 K HN 0.203 nan 8.250 nan 0.000 0.438 300 I N 1.492 121.836 120.570 -0.376 0.000 2.226 300 I HA -0.258 3.914 4.170 0.005 0.000 0.245 300 I C 1.955 177.951 176.117 -0.201 0.000 1.100 300 I CA 1.572 62.648 61.300 -0.374 0.000 1.374 300 I CB -0.873 36.729 38.000 -0.663 0.000 1.057 300 I HN 0.345 nan 8.210 nan 0.000 0.413 301 Q N -0.240 119.463 119.800 -0.161 0.000 2.224 301 Q HA -0.213 4.129 4.340 0.005 0.000 0.203 301 Q C 2.049 178.001 176.000 -0.080 0.000 0.970 301 Q CA 1.109 56.859 55.803 -0.088 0.000 0.865 301 Q CB -0.045 28.672 28.738 -0.035 0.000 0.922 301 Q HN 0.517 nan 8.270 nan 0.000 0.445 302 E N 0.014 120.159 120.200 -0.092 0.000 2.072 302 E HA -0.147 4.205 4.350 0.005 0.000 0.190 302 E C 1.899 178.435 176.600 -0.106 0.000 0.982 302 E CA 0.928 57.275 56.400 -0.088 0.000 0.803 302 E CB 0.269 29.919 29.700 -0.083 0.000 0.755 302 E HN 0.127 nan 8.360 nan 0.000 0.453 303 V N 1.252 121.111 119.914 -0.093 0.000 2.343 303 V HA -0.258 3.865 4.120 0.005 0.000 0.247 303 V C 2.354 178.402 176.094 -0.077 0.000 1.051 303 V CA 1.416 63.670 62.300 -0.076 0.000 1.036 303 V CB -0.391 31.447 31.823 0.025 0.000 0.654 303 V HN 0.336 nan 8.190 nan 0.000 0.451 304 L N -0.821 120.381 121.223 -0.035 0.000 2.217 304 L HA -0.088 4.255 4.340 0.005 0.000 0.211 304 L C 1.441 178.311 176.870 -0.000 0.000 1.107 304 L CA 1.024 55.855 54.840 -0.015 0.000 0.783 304 L CB -0.188 41.823 42.059 -0.079 0.000 0.919 304 L HN 0.355 nan 8.230 nan 0.000 0.442 305 Q N -0.441 119.330 119.800 -0.048 0.000 2.640 305 Q HA 0.147 4.490 4.340 0.005 0.000 0.389 305 Q C 0.451 176.393 176.000 -0.096 0.000 1.012 305 Q CA -0.101 55.680 55.803 -0.037 0.000 1.060 305 Q CB 0.968 29.686 28.738 -0.034 0.000 1.332 305 Q HN 0.157 nan 8.270 nan 0.000 0.418 306 L N -1.173 119.938 121.223 -0.187 0.000 2.806 306 L HA 0.342 4.685 4.340 0.005 0.000 0.242 306 L C -0.879 175.785 176.870 -0.344 0.000 1.068 306 L CA 0.734 55.352 54.840 -0.370 0.000 0.923 306 L CB 0.731 42.384 42.059 -0.676 0.000 1.364 306 L HN 0.177 nan 8.230 nan 0.000 0.511 307 Y N -0.143 120.190 120.300 0.056 0.000 2.562 307 Y HA 0.601 5.153 4.550 0.002 0.000 0.343 307 Y C -2.052 173.892 175.900 0.073 0.000 1.025 307 Y CA -2.880 55.250 58.100 0.050 0.000 1.082 307 Y CB 0.273 38.755 38.460 0.037 0.000 1.264 307 Y HN -0.130 nan 8.280 nan 0.000 0.478 308 P HA -0.095 nan 4.420 nan 0.000 0.267 308 P C -0.207 177.223 177.300 0.218 0.000 1.200 308 P CA 0.108 63.320 63.100 0.186 0.000 0.772 308 P CB 0.619 32.396 31.700 0.128 0.000 0.855 309 W N 2.125 123.445 121.300 0.034 0.000 2.374 309 W HA -0.108 4.555 4.660 0.004 0.000 0.288 309 W C 1.889 178.409 176.519 0.002 0.000 1.218 309 W CA 1.232 58.585 57.345 0.013 0.000 1.245 309 W CB -0.233 29.226 29.460 -0.002 0.000 1.126 309 W HN 0.419 nan 8.180 nan 0.000 0.545 310 E N -0.111 120.123 120.200 0.057 0.000 2.110 310 E HA -0.194 4.159 4.350 0.005 0.000 0.193 310 E C 1.998 178.508 176.600 -0.149 0.000 0.988 310 E CA 1.230 57.593 56.400 -0.061 0.000 0.804 310 E CB -0.346 29.362 29.700 0.012 0.000 0.745 310 E HN 0.226 nan 8.360 nan 0.000 0.458 311 I N 0.667 121.185 120.570 -0.087 0.000 2.439 311 I HA -0.189 3.984 4.170 0.005 0.000 0.251 311 I C 2.412 178.431 176.117 -0.162 0.000 1.139 311 I CA 0.825 62.066 61.300 -0.098 0.000 1.438 311 I CB -1.060 36.912 38.000 -0.048 0.000 1.085 311 I HN 0.101 nan 8.210 nan 0.000 0.427 312 Q N 1.313 120.992 119.800 -0.201 0.000 2.170 312 Q HA -0.101 4.242 4.340 0.005 0.000 0.203 312 Q C 2.130 177.865 176.000 -0.441 0.000 0.976 312 Q CA 1.465 57.108 55.803 -0.267 0.000 0.858 312 Q CB -0.352 28.168 28.738 -0.364 0.000 0.907 312 Q HN 0.516 nan 8.270 nan 0.000 0.433 313 L N -0.398 120.466 121.223 -0.598 0.000 2.376 313 L HA -0.001 4.342 4.340 0.005 0.000 0.219 313 L C 1.256 177.883 176.870 -0.405 0.000 1.133 313 L CA 1.356 55.849 54.840 -0.579 0.000 0.816 313 L CB -0.280 41.388 42.059 -0.653 0.000 0.933 313 L HN 0.281 nan 8.230 nan 0.000 0.449 314 T N -4.624 109.738 114.554 -0.319 0.000 3.266 314 T HA 0.204 4.556 4.350 0.005 0.000 0.278 314 T C 0.561 175.161 174.700 -0.167 0.000 1.010 314 T CA -0.517 61.410 62.100 -0.289 0.000 0.909 314 T CB 0.227 68.955 68.868 -0.233 0.000 1.122 314 T HN -0.035 nan 8.240 nan 0.000 0.536 315 Q N 1.229 120.919 119.800 -0.185 0.000 2.299 315 Q HA 0.378 4.720 4.340 0.005 0.000 0.246 315 Q C -0.789 175.106 176.000 -0.175 0.000 0.935 315 Q CA -0.615 55.103 55.803 -0.142 0.000 0.887 315 Q CB 1.890 30.576 28.738 -0.086 0.000 1.223 315 Q HN 0.347 nan 8.270 nan 0.000 0.439 316 L N 4.503 125.602 121.223 -0.207 0.000 2.314 316 L HA 0.250 4.593 4.340 0.005 0.000 0.275 316 L C -0.683 176.049 176.870 -0.230 0.000 1.068 316 L CA -0.274 54.386 54.840 -0.300 0.000 0.894 316 L CB 0.061 41.839 42.059 -0.469 0.000 1.275 316 L HN 0.381 nan 8.230 nan 0.000 0.432 317 N N 6.215 124.800 118.700 -0.190 0.000 2.518 317 N HA 0.538 5.281 4.740 0.005 0.000 0.266 317 N C -0.486 174.956 175.510 -0.113 0.000 1.196 317 N CA -0.027 52.892 53.050 -0.218 0.000 0.947 317 N CB 1.410 39.642 38.487 -0.424 0.000 1.098 317 N HN 0.674 nan 8.380 nan 0.000 0.450 318 L N -2.398 118.809 121.223 -0.028 0.000 2.765 318 L HA 0.525 4.868 4.340 0.005 0.000 0.263 318 L C -0.674 176.306 176.870 0.184 0.000 1.068 318 L CA -0.890 53.989 54.840 0.065 0.000 0.903 318 L CB 1.431 43.474 42.059 -0.027 0.000 1.512 318 L HN 0.333 nan 8.230 nan 0.000 0.404 319 L N 0.263 121.599 121.223 0.188 0.000 3.017 319 L HA 0.671 5.014 4.340 0.005 0.000 0.265 319 L C 0.442 177.431 176.870 0.199 0.000 1.128 319 L CA 0.678 55.649 54.840 0.219 0.000 0.984 319 L CB 1.245 43.434 42.059 0.217 0.000 1.464 319 L HN 0.847 nan 8.230 nan 0.000 0.556 320 A N -0.907 121.991 122.820 0.129 0.000 2.587 320 A HA 0.815 5.137 4.320 0.005 0.000 0.293 320 A C -0.984 176.558 177.584 -0.069 0.000 1.087 320 A CA -0.307 51.739 52.037 0.015 0.000 0.692 320 A CB 2.162 21.166 19.000 0.008 0.000 1.291 320 A HN -0.121 nan 8.150 nan 0.000 0.407 321 S N -1.534 113.980 115.700 -0.309 0.000 2.615 321 S HA 0.466 4.939 4.470 0.005 0.000 0.269 321 S C 0.825 175.093 174.600 -0.552 0.000 1.161 321 S CA 0.177 58.244 58.200 -0.221 0.000 0.817 321 S CB 0.580 63.868 63.200 0.146 0.000 1.131 321 S HN 1.412 nan 8.310 nan 0.000 0.467 322 H N 1.077 120.088 119.070 -0.098 0.000 2.457 322 H HA -0.043 4.516 4.556 0.004 0.000 0.297 322 H C 1.037 176.385 175.328 0.033 0.000 1.092 322 H CA 1.955 58.091 56.048 0.146 0.000 1.309 322 H CB -0.395 29.663 29.762 0.492 0.000 1.382 322 H HN 0.562 nan 8.280 nan 0.000 0.535 323 D N 1.456 121.364 120.400 -0.820 0.000 2.349 323 D HA -0.009 4.634 4.640 0.005 0.000 0.224 323 D C 0.342 176.422 176.300 -0.366 0.000 1.029 323 D CA 0.777 54.405 54.000 -0.620 0.000 0.879 323 D CB 0.235 40.671 40.800 -0.607 0.000 0.906 323 D HN 0.637 nan 8.370 nan 0.000 0.528 324 T N -3.317 111.045 114.554 -0.320 0.000 2.901 324 T HA 0.742 5.095 4.350 0.005 0.000 0.293 324 T C -0.136 174.461 174.700 -0.172 0.000 1.084 324 T CA -0.761 61.200 62.100 -0.232 0.000 1.008 324 T CB 1.716 70.421 68.868 -0.272 0.000 1.170 324 T HN -0.021 nan 8.240 nan 0.000 0.509 325 A N 1.701 124.484 122.820 -0.061 0.000 2.445 325 A HA 0.476 4.799 4.320 0.005 0.000 0.242 325 A C 0.887 178.449 177.584 -0.037 0.000 1.075 325 A CA -0.447 51.569 52.037 -0.036 0.000 0.777 325 A CB -0.189 18.817 19.000 0.010 0.000 1.013 325 A HN 0.874 nan 8.150 nan 0.000 0.493 326 R N 0.276 120.755 120.500 -0.035 0.000 2.893 326 R HA 0.050 4.393 4.340 0.005 0.000 0.279 326 R C 1.090 177.417 176.300 0.045 0.000 1.076 326 R CA -0.471 55.629 56.100 -0.000 0.000 1.203 326 R CB 0.021 30.340 30.300 0.033 0.000 1.137 326 R HN 0.700 nan 8.270 nan 0.000 0.541 327 L N 1.380 122.651 121.223 0.080 0.000 2.007 327 L HA -0.154 4.189 4.340 0.005 0.000 0.205 327 L C 2.296 179.211 176.870 0.075 0.000 1.073 327 L CA 1.725 56.622 54.840 0.095 0.000 0.744 327 L CB -0.558 41.584 42.059 0.138 0.000 0.898 327 L HN 0.657 nan 8.230 nan 0.000 0.435 328 M N -1.155 118.494 119.600 0.082 0.000 2.195 328 M HA -0.216 4.267 4.480 0.005 0.000 0.260 328 M C 1.955 178.282 176.300 0.046 0.000 1.066 328 M CA 2.247 57.589 55.300 0.070 0.000 1.089 328 M CB -0.847 31.799 32.600 0.076 0.000 1.377 328 M HN 0.270 nan 8.290 nan 0.000 0.411 329 T N -0.037 114.540 114.554 0.038 0.000 2.894 329 T HA 0.071 4.424 4.350 0.005 0.000 0.258 329 T C 1.789 176.498 174.700 0.015 0.000 1.043 329 T CA 1.276 63.390 62.100 0.023 0.000 1.141 329 T CB -0.263 68.615 68.868 0.017 0.000 0.873 329 T HN 0.487 nan 8.240 nan 0.000 0.449 330 I N 1.143 121.726 120.570 0.021 0.000 2.756 330 I HA -0.017 4.156 4.170 0.005 0.000 0.262 330 I C 1.734 177.847 176.117 -0.007 0.000 1.225 330 I CA 0.431 61.738 61.300 0.011 0.000 1.472 330 I CB -0.106 37.913 38.000 0.032 0.000 1.094 330 I HN 0.135 nan 8.210 nan 0.000 0.454 331 A N 0.131 122.951 122.820 0.001 0.000 2.462 331 A HA 0.387 4.709 4.320 0.005 0.000 0.261 331 A C 1.595 179.171 177.584 -0.013 0.000 1.323 331 A CA 0.387 52.417 52.037 -0.013 0.000 0.913 331 A CB -0.746 18.253 19.000 -0.002 0.000 1.028 331 A HN 0.562 nan 8.150 nan 0.000 0.511 332 G N -1.468 107.325 108.800 -0.011 0.000 2.225 332 G HA2 0.011 3.974 3.960 0.005 0.000 0.272 332 G HA3 0.011 3.974 3.960 0.005 0.000 0.272 332 G C 1.534 176.433 174.900 -0.001 0.000 0.996 332 G CA 1.191 46.284 45.100 -0.010 0.000 0.710 332 G HN 2.156 nan 8.290 nan 0.000 0.522 333 G N -0.999 107.806 108.800 0.010 0.000 2.195 333 G HA2 -0.161 3.802 3.960 0.005 0.000 0.224 333 G HA3 -0.161 3.802 3.960 0.005 0.000 0.224 333 G C 0.121 175.034 174.900 0.022 0.000 0.990 333 G CA 0.802 45.914 45.100 0.020 0.000 0.639 333 G HN 1.474 nan 8.290 nan 0.000 0.514 334 D N 0.767 121.173 120.400 0.010 0.000 2.349 334 D HA 0.378 5.020 4.640 0.005 0.000 0.266 334 D C 1.754 178.068 176.300 0.024 0.000 1.293 334 D CA -0.302 53.703 54.000 0.007 0.000 0.926 334 D CB 0.101 40.892 40.800 -0.016 0.000 1.090 334 D HN 0.077 nan 8.370 nan 0.000 0.502 335 I N 4.165 124.758 120.570 0.038 0.000 2.208 335 I HA -0.213 3.960 4.170 0.005 0.000 0.245 335 I C 2.386 178.534 176.117 0.052 0.000 1.097 335 I CA 1.338 62.674 61.300 0.059 0.000 1.363 335 I CB -0.747 37.294 38.000 0.069 0.000 1.051 335 I HN 0.606 nan 8.210 nan 0.000 0.413 336 A N -0.351 122.487 122.820 0.030 0.000 1.873 336 A HA -0.273 4.050 4.320 0.005 0.000 0.218 336 A C 2.532 180.121 177.584 0.008 0.000 1.193 336 A CA 2.531 54.579 52.037 0.019 0.000 0.629 336 A CB -1.191 17.805 19.000 -0.007 0.000 0.826 336 A HN 0.418 nan 8.150 nan 0.000 0.447 337 S N -0.783 114.909 115.700 -0.014 0.000 2.400 337 S HA -0.126 4.347 4.470 0.005 0.000 0.232 337 S C 1.820 176.426 174.600 0.010 0.000 1.025 337 S CA 1.417 59.598 58.200 -0.031 0.000 0.993 337 S CB -0.393 62.778 63.200 -0.048 0.000 0.808 337 S HN 0.358 nan 8.310 nan 0.000 0.478 338 V N 1.577 121.517 119.914 0.044 0.000 2.453 338 V HA -0.115 4.008 4.120 0.005 0.000 0.247 338 V C 2.204 178.346 176.094 0.079 0.000 1.048 338 V CA 1.472 63.821 62.300 0.082 0.000 1.049 338 V CB -0.533 31.361 31.823 0.118 0.000 0.672 338 V HN 0.493 nan 8.190 nan 0.000 0.457 339 E N -0.083 120.165 120.200 0.079 0.000 2.107 339 E HA -0.165 4.188 4.350 0.005 0.000 0.191 339 E C 2.118 178.777 176.600 0.098 0.000 0.982 339 E CA 0.880 57.333 56.400 0.089 0.000 0.809 339 E CB -0.129 29.644 29.700 0.122 0.000 0.756 339 E HN 0.332 nan 8.360 nan 0.000 0.459 340 L N 0.789 122.064 121.223 0.086 0.000 2.056 340 L HA -0.116 4.226 4.340 0.005 0.000 0.207 340 L C 2.334 179.273 176.870 0.115 0.000 1.078 340 L CA 1.464 56.368 54.840 0.107 0.000 0.749 340 L CB -0.524 41.564 42.059 0.049 0.000 0.901 340 L HN -0.031 nan 8.230 nan 0.000 0.433 341 S N -1.118 114.625 115.700 0.073 0.000 2.348 341 S HA -0.182 4.291 4.470 0.005 0.000 0.221 341 S C 1.934 176.618 174.600 0.140 0.000 1.033 341 S CA 1.798 60.051 58.200 0.088 0.000 1.010 341 S CB -0.488 62.747 63.200 0.059 0.000 0.891 341 S HN 0.488 nan 8.310 nan 0.000 0.442 342 T N 2.855 117.457 114.554 0.081 0.000 2.737 342 T HA -0.100 4.252 4.350 0.005 0.000 0.269 342 T C 1.728 176.457 174.700 0.049 0.000 1.040 342 T CA 1.137 63.248 62.100 0.018 0.000 1.142 342 T CB -0.460 68.273 68.868 -0.224 0.000 0.861 342 T HN 0.169 nan 8.240 nan 0.000 0.456 343 L N 0.734 122.005 121.223 0.079 0.000 2.046 343 L HA 0.066 4.409 4.340 0.005 0.000 0.208 343 L C 2.095 179.121 176.870 0.260 0.000 1.077 343 L CA 1.550 56.457 54.840 0.112 0.000 0.747 343 L CB -0.726 41.437 42.059 0.174 0.000 0.896 343 L HN 0.256 nan 8.230 nan 0.000 0.432 344 L N -1.319 120.113 121.223 0.348 0.000 2.072 344 L HA -0.168 4.175 4.340 0.005 0.000 0.205 344 L C 2.445 179.648 176.870 0.555 0.000 1.079 344 L CA 0.683 55.834 54.840 0.518 0.000 0.752 344 L CB -0.636 41.704 42.059 0.469 0.000 0.906 344 L HN 0.348 nan 8.230 nan 0.000 0.436 345 L N 0.329 121.827 121.223 0.458 0.000 2.017 345 L HA -0.196 4.147 4.340 0.005 0.000 0.208 345 L C 2.171 179.141 176.870 0.166 0.000 1.073 345 L CA 1.967 56.975 54.840 0.279 0.000 0.745 345 L CB -0.467 41.751 42.059 0.266 0.000 0.894 345 L HN 0.288 nan 8.230 nan 0.000 0.432 346 L N 0.015 121.334 121.223 0.161 0.000 2.610 346 L HA -0.042 4.300 4.340 0.005 0.000 0.232 346 L C 1.370 178.330 176.870 0.149 0.000 1.149 346 L CA 0.978 55.883 54.840 0.110 0.000 0.872 346 L CB -0.571 41.507 42.059 0.031 0.000 0.992 346 L HN 0.450 nan 8.230 nan 0.000 0.447 347 T N -4.780 109.936 114.554 0.270 0.000 3.288 347 T HA 0.201 4.554 4.350 0.005 0.000 0.293 347 T C -0.282 174.725 174.700 0.511 0.000 1.008 347 T CA -0.372 61.928 62.100 0.333 0.000 0.929 347 T CB -0.159 68.930 68.868 0.369 0.000 1.152 347 T HN -0.080 nan 8.240 nan 0.000 0.517 348 F N 3.512 123.587 119.950 0.209 0.000 2.458 348 F HA 0.609 5.140 4.527 0.007 0.000 0.330 348 F C -2.467 173.356 175.800 0.039 0.000 1.082 348 F CA -2.669 55.426 58.000 0.158 0.000 0.995 348 F CB 1.882 40.802 39.000 -0.132 0.000 1.170 348 F HN -0.129 nan 8.300 nan 0.000 0.478 349 P HA 0.386 nan 4.420 nan 0.000 0.271 349 P C -0.344 176.743 177.300 -0.355 0.000 1.233 349 P CA 0.393 63.271 63.100 -0.370 0.000 0.764 349 P CB 0.574 32.063 31.700 -0.351 0.000 0.825 350 G N 2.132 110.775 108.800 -0.262 0.000 2.353 350 G HA2 0.309 4.271 3.960 0.005 0.000 0.424 350 G HA3 0.309 4.271 3.960 0.005 0.000 0.424 350 G C -1.408 173.395 174.900 -0.162 0.000 1.320 350 G CA -0.362 44.599 45.100 -0.232 0.000 0.995 350 G HN 0.497 nan 8.290 nan 0.000 0.580 351 A N 1.740 124.464 122.820 -0.160 0.000 2.347 351 A HA 0.753 5.076 4.320 0.005 0.000 0.287 351 A C -1.702 175.878 177.584 -0.006 0.000 1.199 351 A CA -0.979 51.029 52.037 -0.049 0.000 0.851 351 A CB 0.218 19.204 19.000 -0.024 0.000 1.118 351 A HN 0.609 nan 8.150 nan 0.000 0.525 352 P HA 0.196 nan 4.420 nan 0.000 0.279 352 P C -0.389 177.028 177.300 0.195 0.000 1.239 352 P CA -0.033 63.115 63.100 0.081 0.000 0.789 352 P CB 1.517 33.270 31.700 0.088 0.000 0.933 353 S N 2.949 118.755 115.700 0.177 0.000 2.532 353 S HA 0.598 5.071 4.470 0.005 0.000 0.299 353 S C -0.633 174.153 174.600 0.310 0.000 1.105 353 S CA -0.822 57.558 58.200 0.301 0.000 1.018 353 S CB 0.178 63.539 63.200 0.268 0.000 1.021 353 S HN 0.241 nan 8.310 nan 0.000 0.483 354 I N 4.515 125.308 120.570 0.370 0.000 2.354 354 I HA 0.313 4.486 4.170 0.005 0.000 0.292 354 I C -0.898 175.394 176.117 0.291 0.000 0.989 354 I CA -0.872 60.646 61.300 0.363 0.000 1.188 354 I CB 1.298 39.548 38.000 0.417 0.000 1.342 354 I HN 0.660 nan 8.210 nan 0.000 0.457 355 Y N 7.858 128.239 120.300 0.135 0.000 2.436 355 Y HA 0.130 4.683 4.550 0.004 0.000 0.343 355 Y C 0.134 176.042 175.900 0.014 0.000 1.008 355 Y CA -0.670 57.467 58.100 0.061 0.000 1.241 355 Y CB 0.146 38.662 38.460 0.093 0.000 1.153 355 Y HN 0.462 nan 8.280 nan 0.000 0.521 356 Y N 4.611 124.482 120.300 -0.714 0.000 2.916 356 Y HA 0.240 4.792 4.550 0.004 0.000 0.344 356 Y C 0.978 176.831 175.900 -0.078 0.000 1.282 356 Y CA 0.380 58.206 58.100 -0.456 0.000 1.604 356 Y CB -0.073 38.082 38.460 -0.509 0.000 1.207 356 Y HN 0.896 nan 8.280 nan 0.000 0.561 357 G N 3.017 111.778 108.800 -0.065 0.000 2.436 357 G HA2 -0.302 3.660 3.960 0.005 0.000 0.204 357 G HA3 -0.302 3.660 3.960 0.005 0.000 0.204 357 G C 0.694 175.568 174.900 -0.043 0.000 1.026 357 G CA 0.204 45.216 45.100 -0.147 0.000 0.658 357 G HN 0.571 nan 8.290 nan 0.000 0.499 358 D N 1.479 121.886 120.400 0.011 0.000 2.224 358 D HA -0.008 4.635 4.640 0.005 0.000 0.205 358 D C 2.408 178.593 176.300 -0.192 0.000 0.965 358 D CA 1.287 55.304 54.000 0.028 0.000 0.852 358 D CB -0.102 40.790 40.800 0.153 0.000 0.947 358 D HN 0.707 nan 8.370 nan 0.000 0.494 359 E N 0.712 120.676 120.200 -0.394 0.000 2.472 359 E HA -0.084 4.269 4.350 0.005 0.000 0.200 359 E C 1.258 177.739 176.600 -0.197 0.000 1.046 359 E CA 0.471 56.380 56.400 -0.819 0.000 0.871 359 E CB 0.131 29.534 29.700 -0.494 0.000 0.806 359 E HN 0.107 nan 8.360 nan 0.000 0.533 360 V N -0.421 119.451 119.914 -0.069 0.000 3.398 360 V HA 0.251 4.374 4.120 0.005 0.000 0.298 360 V C 1.318 177.471 176.094 0.098 0.000 1.496 360 V CA 0.444 62.751 62.300 0.011 0.000 1.044 360 V CB 0.777 32.414 31.823 -0.309 0.000 0.880 360 V HN 0.466 nan 8.190 nan 0.000 0.443 361 G N 0.818 109.665 108.800 0.079 0.000 2.225 361 G HA2 -0.272 3.691 3.960 0.005 0.000 0.254 361 G HA3 -0.272 3.691 3.960 0.005 0.000 0.254 361 G C 0.323 175.271 174.900 0.080 0.000 0.988 361 G CA 0.281 45.445 45.100 0.107 0.000 0.625 361 G HN 0.476 nan 8.290 nan 0.000 0.527 362 L N 3.152 124.408 121.223 0.055 0.000 2.693 362 L HA 0.208 4.551 4.340 0.005 0.000 0.292 362 L C -1.113 175.775 176.870 0.029 0.000 1.243 362 L CA -0.249 54.612 54.840 0.035 0.000 0.903 362 L CB 0.482 42.531 42.059 -0.016 0.000 1.160 362 L HN 0.159 nan 8.230 nan 0.000 0.496 363 P HA 0.331 nan 4.420 nan 0.000 0.284 363 P C -0.950 176.358 177.300 0.014 0.000 1.258 363 P CA -0.416 62.701 63.100 0.027 0.000 0.824 363 P CB 1.616 33.333 31.700 0.029 0.000 1.038 364 G N 0.700 109.508 108.800 0.012 0.000 2.719 364 G HA2 0.532 4.494 3.960 0.005 0.000 0.284 364 G HA3 0.532 4.494 3.960 0.005 0.000 0.284 364 G C -0.057 174.839 174.900 -0.006 0.000 1.488 364 G CA -0.576 44.525 45.100 0.002 0.000 1.139 364 G HN 0.585 nan 8.290 nan 0.000 0.552 365 G N 0.690 109.485 108.800 -0.007 0.000 2.653 365 G HA2 0.400 4.363 3.960 0.005 0.000 0.265 365 G HA3 0.400 4.363 3.960 0.005 0.000 0.265 365 G C 0.850 175.735 174.900 -0.025 0.000 1.237 365 G CA -0.451 44.642 45.100 -0.012 0.000 0.946 365 G HN 0.611 nan 8.290 nan 0.000 0.522 366 I N -1.827 118.726 120.570 -0.028 0.000 2.499 366 I HA 0.140 4.313 4.170 0.005 0.000 0.243 366 I C 0.567 176.658 176.117 -0.043 0.000 1.085 366 I CA 0.578 61.853 61.300 -0.042 0.000 1.422 366 I CB 0.360 38.337 38.000 -0.039 0.000 1.165 366 I HN 0.350 nan 8.210 nan 0.000 0.440 367 D N -0.005 120.377 120.400 -0.030 0.000 2.666 367 D HA 0.468 5.111 4.640 0.005 0.000 0.252 367 D C -2.647 173.647 176.300 -0.010 0.000 1.143 367 D CA -1.630 52.358 54.000 -0.019 0.000 1.096 367 D CB 1.674 42.465 40.800 -0.015 0.000 1.260 367 D HN -0.030 nan 8.370 nan 0.000 0.633 368 P HA 0.329 nan 4.420 nan 0.000 0.307 368 P C -1.178 176.129 177.300 0.010 0.000 1.450 368 P CA -0.298 62.804 63.100 0.005 0.000 1.026 368 P CB 1.426 33.133 31.700 0.012 0.000 1.040 369 D N 1.278 121.682 120.400 0.006 0.000 2.811 369 D HA -0.151 4.492 4.640 0.005 0.000 0.231 369 D C 0.972 177.279 176.300 0.012 0.000 1.157 369 D CA 1.577 55.583 54.000 0.011 0.000 0.716 369 D CB -1.135 39.681 40.800 0.026 0.000 1.077 369 D HN 0.525 nan 8.370 nan 0.000 0.428 370 S N -0.804 114.899 115.700 0.005 0.000 2.496 370 S HA -0.056 4.417 4.470 0.005 0.000 0.224 370 S C 0.990 175.593 174.600 0.005 0.000 0.996 370 S CA -0.262 57.941 58.200 0.005 0.000 0.927 370 S CB 0.278 63.478 63.200 0.000 0.000 0.774 370 S HN 0.283 nan 8.310 nan 0.000 0.524 371 R N 2.502 123.000 120.500 -0.002 0.000 2.640 371 R HA 0.365 4.708 4.340 0.005 0.000 0.270 371 R C 0.323 176.633 176.300 0.017 0.000 1.024 371 R CA 0.052 56.151 56.100 -0.002 0.000 1.085 371 R CB -0.071 30.213 30.300 -0.028 0.000 0.963 371 R HN 0.550 nan 8.270 nan 0.000 0.426 372 R N 0.048 120.569 120.500 0.036 0.000 2.753 372 R HA 0.400 4.743 4.340 0.005 0.000 0.272 372 R C -1.948 174.412 176.300 0.100 0.000 1.034 372 R CA -0.337 55.806 56.100 0.072 0.000 0.869 372 R CB 1.734 32.110 30.300 0.127 0.000 1.264 372 R HN 0.847 nan 8.270 nan 0.000 0.481 373 G N 2.202 111.087 108.800 0.142 0.000 2.659 373 G HA2 0.454 4.417 3.960 0.005 0.000 0.291 373 G HA3 0.454 4.417 3.960 0.005 0.000 0.291 373 G C -1.567 173.477 174.900 0.239 0.000 1.379 373 G CA -0.553 44.645 45.100 0.165 0.000 1.254 373 G HN 0.228 nan 8.290 nan 0.000 0.590 374 F N 3.787 123.740 119.950 0.004 0.000 2.640 374 F HA 0.273 4.803 4.527 0.005 0.000 0.354 374 F C -1.287 174.393 175.800 -0.200 0.000 1.213 374 F CA -2.304 55.650 58.000 -0.078 0.000 1.314 374 F CB 0.287 39.243 39.000 -0.073 0.000 1.679 374 F HN 0.217 nan 8.300 nan 0.000 0.622 375 P HA 0.602 nan 4.420 nan 0.000 0.000 375 P C -0.174 177.088 177.300 -0.064 0.000 0.000 375 P CA -0.004 63.080 63.100 -0.027 0.000 0.000 375 P CB 1.477 33.149 31.700 -0.047 0.000 0.000 376 L N -2.533 nan 121.223 nan 0.000 0.000 376 L HA 0.732 5.075 4.340 0.005 0.000 0.000 376 L C -1.679 nan 176.870 nan 0.000 0.000 376 L CA -0.926 nan 54.840 nan 0.000 0.000 376 L CB 0.793 nan 42.059 nan 0.000 0.000 376 L HN 0.675 nan 8.230 nan 0.000 0.000 377 E N 0.150 120.493 120.200 0.238 0.000 0.000 377 E HA 0.559 4.912 4.350 0.005 0.000 0.000 377 E C -0.796 175.762 176.600 -0.070 0.000 0.000 377 E CA 0.188 56.603 56.400 0.025 0.000 0.000 377 E CB 0.726 30.432 29.700 0.009 0.000 0.000 377 E HN 2.593 nan 8.360 nan 0.000 0.000 378 A N 4.135 126.718 122.820 -0.395 0.000 2.969 378 A HA 0.527 4.849 4.320 0.005 0.000 0.328 378 A C 0.262 177.594 177.584 -0.420 0.000 1.355 378 A CA -0.067 51.425 52.037 -0.908 0.000 1.018 378 A CB -0.852 17.286 19.000 -1.437 0.000 1.159 378 A HN 0.827 nan 8.150 nan 0.000 0.505 379 N N -1.438 117.172 118.700 -0.151 0.000 2.937 379 N HA -0.134 4.608 4.740 0.005 0.000 0.248 379 N C -0.620 175.139 175.510 0.416 0.000 1.069 379 N CA 1.498 54.569 53.050 0.034 0.000 0.822 379 N CB -2.231 36.296 38.487 0.067 0.000 1.122 379 N HN 0.572 nan 8.380 nan 0.000 0.554 380 W N 0.271 121.569 121.300 -0.003 0.000 3.624 380 W HA 0.629 5.292 4.660 0.005 0.000 0.359 380 W C 0.036 176.587 176.519 0.052 0.000 1.122 380 W CA -0.751 56.609 57.345 0.026 0.000 1.009 380 W CB -0.261 29.196 29.460 -0.006 0.000 1.586 380 W HN -0.043 nan 8.180 nan 0.000 0.610 381 N N 1.380 120.302 118.700 0.370 0.000 2.727 381 N HA 0.041 4.783 4.740 0.005 0.000 0.252 381 N C 0.595 176.281 175.510 0.293 0.000 1.283 381 N CA -0.026 53.182 53.050 0.262 0.000 0.782 381 N CB 0.895 39.507 38.487 0.207 0.000 1.199 381 N HN 0.270 nan 8.380 nan 0.000 0.520 382 Q N 0.581 120.540 119.800 0.265 0.000 2.268 382 Q HA -0.225 4.118 4.340 0.005 0.000 0.210 382 Q C 1.190 177.371 176.000 0.301 0.000 0.988 382 Q CA 1.409 57.379 55.803 0.278 0.000 0.883 382 Q CB 0.276 29.116 28.738 0.170 0.000 0.911 382 Q HN 0.741 nan 8.270 nan 0.000 0.430 383 E N 0.650 120.992 120.200 0.236 0.000 2.007 383 E HA -0.200 4.153 4.350 0.005 0.000 0.194 383 E C 2.125 178.880 176.600 0.260 0.000 0.999 383 E CA 1.535 58.064 56.400 0.214 0.000 0.811 383 E CB -0.271 29.525 29.700 0.160 0.000 0.762 383 E HN 0.474 nan 8.360 nan 0.000 0.450 384 I N -1.106 119.628 120.570 0.272 0.000 2.394 384 I HA -0.125 4.048 4.170 0.005 0.000 0.251 384 I C 2.324 178.686 176.117 0.408 0.000 1.136 384 I CA 1.027 62.512 61.300 0.308 0.000 1.425 384 I CB -0.395 37.778 38.000 0.289 0.000 1.079 384 I HN 0.132 nan 8.210 nan 0.000 0.425 385 F N 3.023 123.109 119.950 0.227 0.000 2.095 385 F HA -0.217 4.313 4.527 0.005 0.000 0.298 385 F C 2.282 178.205 175.800 0.206 0.000 1.104 385 F CA 1.936 60.044 58.000 0.180 0.000 1.232 385 F CB -0.546 38.550 39.000 0.161 0.000 0.987 385 F HN 0.106 nan 8.300 nan 0.000 0.475 386 N N -0.163 118.788 118.700 0.418 0.000 2.223 386 N HA -0.135 4.607 4.740 0.005 0.000 0.185 386 N C 1.772 177.378 175.510 0.161 0.000 1.016 386 N CA 1.782 54.999 53.050 0.279 0.000 0.863 386 N CB -0.751 37.914 38.487 0.296 0.000 0.983 386 N HN 0.345 nan 8.380 nan 0.000 0.429 387 T N 0.932 115.598 114.554 0.186 0.000 2.674 387 T HA -0.112 4.240 4.350 0.005 0.000 0.265 387 T C 1.642 176.338 174.700 -0.008 0.000 1.039 387 T CA 0.979 63.165 62.100 0.143 0.000 1.150 387 T CB -0.371 68.583 68.868 0.143 0.000 0.864 387 T HN 0.362 nan 8.240 nan 0.000 0.427 388 H N 0.766 119.798 119.070 -0.064 0.000 2.289 388 H HA -0.055 4.503 4.556 0.005 0.000 0.296 388 H C 2.717 177.917 175.328 -0.213 0.000 1.091 388 H CA 1.935 57.895 56.048 -0.146 0.000 1.274 388 H CB -0.127 29.507 29.762 -0.214 0.000 1.364 388 H HN 0.200 nan 8.280 nan 0.000 0.490 389 R N 0.921 121.300 120.500 -0.201 0.000 2.096 389 R HA -0.133 4.209 4.340 0.005 0.000 0.235 389 R C 2.480 178.738 176.300 -0.071 0.000 1.127 389 R CA 1.468 57.444 56.100 -0.207 0.000 0.968 389 R CB -0.014 30.117 30.300 -0.282 0.000 0.861 389 R HN 0.363 nan 8.270 nan 0.000 0.440 390 Q N 0.310 120.098 119.800 -0.020 0.000 1.990 390 Q HA -0.144 4.199 4.340 0.005 0.000 0.200 390 Q C 2.159 178.135 176.000 -0.041 0.000 0.980 390 Q CA 1.659 57.477 55.803 0.024 0.000 0.832 390 Q CB -0.059 28.745 28.738 0.110 0.000 0.897 390 Q HN 0.399 nan 8.270 nan 0.000 0.427 391 L N 0.404 121.543 121.223 -0.139 0.000 2.127 391 L HA -0.226 4.117 4.340 0.005 0.000 0.211 391 L C 2.368 179.186 176.870 -0.087 0.000 1.089 391 L CA 0.940 55.656 54.840 -0.207 0.000 0.757 391 L CB -0.416 41.472 42.059 -0.285 0.000 0.899 391 L HN 0.353 nan 8.230 nan 0.000 0.434 392 I N -0.710 119.824 120.570 -0.060 0.000 2.286 392 I HA -0.225 3.947 4.170 0.005 0.000 0.245 392 I C 2.496 178.610 176.117 -0.004 0.000 1.104 392 I CA 1.284 62.568 61.300 -0.026 0.000 1.397 392 I CB -0.425 37.550 38.000 -0.041 0.000 1.072 392 I HN 0.254 nan 8.210 nan 0.000 0.417 393 T N 1.525 116.077 114.554 -0.004 0.000 2.652 393 T HA -0.146 4.206 4.350 0.005 0.000 0.267 393 T C 1.997 176.732 174.700 0.059 0.000 1.039 393 T CA 1.198 63.309 62.100 0.019 0.000 1.153 393 T CB -0.168 68.718 68.868 0.029 0.000 0.863 393 T HN 0.092 nan 8.240 nan 0.000 0.428 394 I N 1.441 122.063 120.570 0.088 0.000 2.118 394 I HA -0.184 3.989 4.170 0.005 0.000 0.241 394 I C 2.623 178.873 176.117 0.222 0.000 1.070 394 I CA 1.540 62.960 61.300 0.200 0.000 1.327 394 I CB -1.104 36.954 38.000 0.096 0.000 1.034 394 I HN 0.241 nan 8.210 nan 0.000 0.405 395 R N 0.511 121.077 120.500 0.109 0.000 2.159 395 R HA -0.190 4.153 4.340 0.005 0.000 0.237 395 R C 1.969 178.333 176.300 0.107 0.000 1.131 395 R CA 1.201 57.365 56.100 0.108 0.000 0.982 395 R CB 0.130 30.469 30.300 0.066 0.000 0.868 395 R HN 0.458 nan 8.270 nan 0.000 0.453 396 Q N -1.102 118.742 119.800 0.073 0.000 2.398 396 Q HA 0.022 4.365 4.340 0.005 0.000 0.204 396 Q C 1.505 177.505 176.000 0.001 0.000 0.932 396 Q CA 1.047 56.874 55.803 0.041 0.000 0.916 396 Q CB 0.746 29.493 28.738 0.015 0.000 1.024 396 Q HN 0.324 nan 8.270 nan 0.000 0.504 397 T N -0.359 114.191 114.554 -0.006 0.000 2.976 397 T HA 0.014 4.367 4.350 0.005 0.000 0.257 397 T C -0.064 174.399 174.700 -0.394 0.000 1.051 397 T CA 0.712 62.684 62.100 -0.213 0.000 1.141 397 T CB 0.009 68.713 68.868 -0.274 0.000 0.881 397 T HN 0.103 nan 8.240 nan 0.000 0.461 398 Y N 0.698 121.008 120.300 0.016 0.000 2.356 398 Y HA 0.371 4.923 4.550 0.004 0.000 0.334 398 Y C -2.083 173.838 175.900 0.035 0.000 0.958 398 Y CA -3.020 55.091 58.100 0.019 0.000 1.196 398 Y CB 1.386 39.852 38.460 0.010 0.000 1.137 398 Y HN -0.032 nan 8.280 nan 0.000 0.485 399 P HA -0.218 nan 4.420 nan 0.000 0.218 399 P C 1.314 178.701 177.300 0.145 0.000 1.148 399 P CA 1.985 65.167 63.100 0.136 0.000 0.822 399 P CB 0.351 32.108 31.700 0.095 0.000 0.784 400 A N -0.661 122.243 122.820 0.139 0.000 2.019 400 A HA -0.137 4.185 4.320 0.005 0.000 0.219 400 A C 2.029 179.678 177.584 0.108 0.000 1.164 400 A CA 1.219 53.324 52.037 0.112 0.000 0.644 400 A CB -1.551 17.494 19.000 0.075 0.000 0.805 400 A HN 0.166 nan 8.150 nan 0.000 0.449 401 L N -1.523 119.768 121.223 0.113 0.000 2.478 401 L HA -0.054 4.289 4.340 0.005 0.000 0.223 401 L C 2.612 179.536 176.870 0.091 0.000 1.140 401 L CA 0.618 55.520 54.840 0.105 0.000 0.842 401 L CB -0.246 41.874 42.059 0.101 0.000 0.953 401 L HN 0.387 nan 8.230 nan 0.000 0.452 402 R N -0.756 119.790 120.500 0.076 0.000 2.102 402 R HA 0.063 4.406 4.340 0.005 0.000 0.208 402 R C 1.688 177.949 176.300 -0.066 0.000 1.131 402 R CA 1.401 57.500 56.100 -0.003 0.000 1.054 402 R CB -0.094 30.219 30.300 0.022 0.000 0.954 402 R HN 0.281 nan 8.270 nan 0.000 0.465 403 T N -2.049 112.518 114.554 0.023 0.000 3.091 403 T HA 0.252 4.605 4.350 0.005 0.000 0.277 403 T C 0.892 175.771 174.700 0.299 0.000 0.996 403 T CA -0.195 61.937 62.100 0.053 0.000 0.897 403 T CB 0.787 69.687 68.868 0.053 0.000 1.109 403 T HN 0.192 nan 8.240 nan 0.000 0.534 404 G N 1.048 109.987 108.800 0.231 0.000 2.716 404 G HA2 0.352 4.314 3.960 0.005 0.000 0.251 404 G HA3 0.352 4.314 3.960 0.005 0.000 0.251 404 G C -0.402 174.693 174.900 0.325 0.000 1.224 404 G CA -0.289 44.945 45.100 0.223 0.000 0.891 404 G HN 0.318 nan 8.290 nan 0.000 0.561 405 D N -1.768 118.714 120.400 0.138 0.000 2.411 405 D HA 0.314 4.957 4.640 0.005 0.000 0.251 405 D C -1.173 175.230 176.300 0.173 0.000 1.201 405 D CA -0.277 53.768 54.000 0.075 0.000 0.996 405 D CB 0.848 41.574 40.800 -0.123 0.000 1.101 405 D HN 0.219 nan 8.370 nan 0.000 0.504 406 Y N 1.044 121.374 120.300 0.050 0.000 2.363 406 Y HA 0.288 4.839 4.550 0.003 0.000 0.325 406 Y C -1.017 174.924 175.900 0.069 0.000 0.984 406 Y CA -0.590 57.570 58.100 0.100 0.000 1.248 406 Y CB 0.908 39.407 38.460 0.066 0.000 1.116 406 Y HN 0.244 nan 8.280 nan 0.000 0.470 407 Q N 5.435 125.241 119.800 0.010 0.000 2.310 407 Q HA 0.520 4.862 4.340 0.005 0.000 0.270 407 Q C -1.597 174.402 176.000 -0.002 0.000 1.025 407 Q CA -0.903 54.926 55.803 0.044 0.000 0.772 407 Q CB 1.780 30.514 28.738 -0.007 0.000 1.253 407 Q HN 0.592 nan 8.270 nan 0.000 0.450 408 V N 5.594 125.558 119.914 0.083 0.000 2.508 408 V HA 0.012 4.134 4.120 0.005 0.000 0.281 408 V C 0.555 176.660 176.094 0.018 0.000 1.041 408 V CA -0.006 62.316 62.300 0.037 0.000 1.016 408 V CB 0.921 32.820 31.823 0.127 0.000 0.984 408 V HN 0.840 nan 8.190 nan 0.000 0.478 409 L N 4.547 125.767 121.223 -0.005 0.000 2.349 409 L HA 0.351 4.694 4.340 0.005 0.000 0.200 409 L C 0.119 177.076 176.870 0.145 0.000 1.064 409 L CA 1.096 55.966 54.840 0.049 0.000 0.821 409 L CB -0.530 41.542 42.059 0.023 0.000 1.027 409 L HN 0.687 nan 8.230 nan 0.000 0.476 410 Y N -0.685 119.606 120.300 -0.015 0.000 2.524 410 Y HA 0.678 5.230 4.550 0.004 0.000 0.347 410 Y C -1.087 174.877 175.900 0.107 0.000 1.005 410 Y CA -1.288 56.839 58.100 0.045 0.000 1.025 410 Y CB 1.898 40.387 38.460 0.048 0.000 1.275 410 Y HN -0.081 nan 8.280 nan 0.000 0.460 411 A N 5.056 127.585 122.820 -0.485 0.000 2.913 411 A HA 0.449 4.772 4.320 0.005 0.000 0.284 411 A C -1.658 175.731 177.584 -0.325 0.000 1.273 411 A CA -0.496 51.461 52.037 -0.135 0.000 0.899 411 A CB 0.114 19.214 19.000 0.166 0.000 1.444 411 A HN 0.675 nan 8.150 nan 0.000 0.586 412 Q N 0.065 119.582 119.800 -0.471 0.000 2.359 412 Q HA 0.632 4.975 4.340 0.005 0.000 0.274 412 Q C 0.816 176.869 176.000 0.089 0.000 1.074 412 Q CA -0.169 55.505 55.803 -0.215 0.000 0.810 412 Q CB 2.413 30.958 28.738 -0.322 0.000 1.342 412 Q HN 1.821 nan 8.270 nan 0.000 0.427 413 G N 1.720 110.616 108.800 0.161 0.000 2.574 413 G HA2 -0.376 3.587 3.960 0.005 0.000 0.301 413 G HA3 -0.376 3.587 3.960 0.005 0.000 0.301 413 G C 0.334 175.450 174.900 0.361 0.000 1.166 413 G CA 0.741 46.004 45.100 0.272 0.000 0.971 413 G HN 0.519 nan 8.290 nan 0.000 0.542 414 Q N -0.639 119.333 119.800 0.288 0.000 2.135 414 Q HA 0.641 4.984 4.340 0.005 0.000 0.231 414 Q C -0.363 175.844 176.000 0.345 0.000 0.817 414 Q CA -0.168 55.791 55.803 0.259 0.000 1.073 414 Q CB 0.638 29.415 28.738 0.064 0.000 1.176 414 Q HN 0.568 nan 8.270 nan 0.000 0.478 415 L N 0.956 122.421 121.223 0.402 0.000 2.313 415 L HA 0.512 4.855 4.340 0.005 0.000 0.283 415 L C -1.814 175.388 176.870 0.554 0.000 1.013 415 L CA -0.854 54.267 54.840 0.469 0.000 0.816 415 L CB 1.082 43.428 42.059 0.479 0.000 1.236 415 L HN 0.155 nan 8.230 nan 0.000 0.419 416 Y N 5.327 125.871 120.300 0.405 0.000 2.361 416 Y HA 0.719 5.271 4.550 0.004 0.000 0.337 416 Y C -1.679 174.453 175.900 0.387 0.000 0.965 416 Y CA -0.927 57.371 58.100 0.330 0.000 1.091 416 Y CB 1.528 40.116 38.460 0.213 0.000 1.182 416 Y HN 0.556 nan 8.280 nan 0.000 0.450 417 L N 7.878 129.077 121.223 -0.040 0.000 2.409 417 L HA 0.537 4.879 4.340 0.005 0.000 0.272 417 L C -1.080 175.690 176.870 -0.168 0.000 0.980 417 L CA -0.548 54.267 54.840 -0.041 0.000 0.826 417 L CB 1.427 43.521 42.059 0.059 0.000 1.268 417 L HN 0.568 nan 8.230 nan 0.000 0.407 418 F N 1.115 120.816 119.950 -0.415 0.000 2.664 418 F HA 1.028 5.557 4.527 0.003 0.000 0.329 418 F C -0.605 174.995 175.800 -0.334 0.000 1.090 418 F CA -1.675 56.051 58.000 -0.456 0.000 0.978 418 F CB 1.553 40.123 39.000 -0.716 0.000 1.378 418 F HN 0.478 nan 8.300 nan 0.000 0.495 419 A N 1.523 124.166 122.820 -0.296 0.000 2.393 419 A HA 0.859 5.182 4.320 0.005 0.000 0.306 419 A C -1.113 176.338 177.584 -0.221 0.000 1.050 419 A CA -0.970 50.887 52.037 -0.299 0.000 0.724 419 A CB 1.375 20.266 19.000 -0.182 0.000 1.248 419 A HN 0.653 nan 8.150 nan 0.000 0.424 420 R N 1.604 121.990 120.500 -0.190 0.000 2.343 420 R HA 0.653 4.996 4.340 0.005 0.000 0.320 420 R C -0.826 175.443 176.300 -0.051 0.000 0.956 420 R CA -0.207 55.858 56.100 -0.059 0.000 0.836 420 R CB 1.240 31.535 30.300 -0.010 0.000 1.151 420 R HN 0.903 nan 8.270 nan 0.000 0.450 421 T N 0.106 114.646 114.554 -0.023 0.000 2.928 421 T HA 0.560 4.913 4.350 0.005 0.000 0.296 421 T C -0.770 173.926 174.700 -0.006 0.000 1.000 421 T CA -0.836 61.239 62.100 -0.041 0.000 0.989 421 T CB 1.289 70.096 68.868 -0.102 0.000 1.005 421 T HN 0.250 nan 8.240 nan 0.000 0.442 422 L N 3.612 124.843 121.223 0.013 0.000 2.404 422 L HA 0.731 5.074 4.340 0.005 0.000 0.272 422 L C 0.754 177.636 176.870 0.021 0.000 0.980 422 L CA 1.364 56.227 54.840 0.039 0.000 0.836 422 L CB 0.888 42.997 42.059 0.083 0.000 1.238 422 L HN 1.312 nan 8.230 nan 0.000 0.408 423 G N 3.438 112.245 108.800 0.010 0.000 2.583 423 G HA2 -0.413 3.550 3.960 0.005 0.000 0.292 423 G HA3 -0.413 3.550 3.960 0.005 0.000 0.292 423 G C 0.691 175.590 174.900 -0.001 0.000 1.203 423 G CA 0.839 45.947 45.100 0.013 0.000 0.987 423 G HN 1.293 nan 8.290 nan 0.000 0.554 424 T N -1.112 113.452 114.554 0.016 0.000 3.081 424 T HA 0.360 4.713 4.350 0.005 0.000 0.250 424 T C 0.848 175.553 174.700 0.008 0.000 1.100 424 T CA 1.363 63.474 62.100 0.018 0.000 1.038 424 T CB 0.301 69.192 68.868 0.039 0.000 0.962 424 T HN 0.703 nan 8.240 nan 0.000 0.516 425 E N 1.741 121.950 120.200 0.016 0.000 2.129 425 E HA 0.187 4.540 4.350 0.005 0.000 0.283 425 E C -0.788 175.811 176.600 -0.001 0.000 1.080 425 E CA -0.225 56.193 56.400 0.031 0.000 0.867 425 E CB 0.417 30.159 29.700 0.070 0.000 1.056 425 E HN 0.558 nan 8.360 nan 0.000 0.404 426 E N 4.305 124.491 120.200 -0.024 0.000 2.238 426 E HA 0.501 4.854 4.350 0.005 0.000 0.267 426 E C -0.808 175.741 176.600 -0.085 0.000 0.887 426 E CA -0.753 55.608 56.400 -0.066 0.000 0.769 426 E CB 1.989 31.635 29.700 -0.090 0.000 1.187 426 E HN 0.388 nan 8.360 nan 0.000 0.416 427 L N 2.752 123.900 121.223 -0.125 0.000 2.409 427 L HA 0.596 4.938 4.340 0.005 0.000 0.262 427 L C -0.790 175.941 176.870 -0.233 0.000 0.992 427 L CA -0.852 53.881 54.840 -0.178 0.000 0.817 427 L CB 1.890 43.825 42.059 -0.207 0.000 1.350 427 L HN 0.430 nan 8.230 nan 0.000 0.411 428 I N 3.529 123.956 120.570 -0.238 0.000 2.404 428 I HA 0.454 4.626 4.170 0.005 0.000 0.293 428 I C -0.802 175.108 176.117 -0.344 0.000 0.992 428 I CA -0.726 60.402 61.300 -0.287 0.000 1.149 428 I CB 2.069 39.961 38.000 -0.180 0.000 1.315 428 I HN 0.279 nan 8.210 nan 0.000 0.446 429 I N 4.877 125.104 120.570 -0.573 0.000 2.436 429 I HA 0.650 4.823 4.170 0.005 0.000 0.289 429 I C 0.022 175.988 176.117 -0.251 0.000 1.010 429 I CA -0.668 60.325 61.300 -0.511 0.000 1.098 429 I CB 1.412 38.814 38.000 -0.996 0.000 1.266 429 I HN 0.565 nan 8.210 nan 0.000 0.434 430 A N 7.333 130.158 122.820 0.010 0.000 2.386 430 A HA 0.904 5.227 4.320 0.005 0.000 0.311 430 A C -0.960 176.787 177.584 0.272 0.000 1.068 430 A CA -0.490 51.638 52.037 0.151 0.000 0.743 430 A CB 1.786 20.844 19.000 0.097 0.000 1.258 430 A HN 0.500 nan 8.150 nan 0.000 0.429 431 I N 1.867 122.672 120.570 0.390 0.000 2.466 431 I HA 0.301 4.474 4.170 0.005 0.000 0.289 431 I C -0.274 176.058 176.117 0.358 0.000 1.026 431 I CA -0.334 61.211 61.300 0.407 0.000 1.078 431 I CB 1.610 39.973 38.000 0.605 0.000 1.249 431 I HN 0.874 nan 8.210 nan 0.000 0.429 432 N N 4.508 123.335 118.700 0.212 0.000 2.817 432 N HA 0.379 5.122 4.740 0.005 0.000 0.234 432 N C 0.658 176.188 175.510 0.034 0.000 1.066 432 N CA -0.128 53.009 53.050 0.146 0.000 0.926 432 N CB 1.065 39.613 38.487 0.101 0.000 1.176 432 N HN 0.750 nan 8.380 nan 0.000 0.506 433 A N 2.221 125.009 122.820 -0.055 0.000 2.235 433 A HA 0.192 4.515 4.320 0.005 0.000 0.208 433 A C 1.063 178.518 177.584 -0.214 0.000 1.172 433 A CA 0.023 51.872 52.037 -0.314 0.000 0.786 433 A CB -0.090 18.358 19.000 -0.920 0.000 0.804 433 A HN 0.579 nan 8.150 nan 0.000 0.479 434 G N -1.639 107.111 108.800 -0.083 0.000 2.502 434 G HA2 0.376 4.338 3.960 0.005 0.000 0.305 434 G HA3 0.376 4.338 3.960 0.005 0.000 0.305 434 G C 0.879 175.754 174.900 -0.042 0.000 1.190 434 G CA 0.486 45.552 45.100 -0.057 0.000 0.933 434 G HN 0.389 nan 8.290 nan 0.000 0.503 435 T N -2.515 112.019 114.554 -0.035 0.000 3.081 435 T HA 0.239 4.592 4.350 0.005 0.000 0.250 435 T C 0.852 175.549 174.700 -0.005 0.000 1.100 435 T CA 0.114 62.199 62.100 -0.024 0.000 1.038 435 T CB 0.149 69.000 68.868 -0.028 0.000 0.962 435 T HN 0.227 nan 8.240 nan 0.000 0.516 436 S N 1.704 117.408 115.700 0.007 0.000 2.482 436 S HA 0.569 5.041 4.470 0.005 0.000 0.303 436 S C -0.128 174.487 174.600 0.025 0.000 1.091 436 S CA -0.716 57.493 58.200 0.016 0.000 1.057 436 S CB 1.718 64.931 63.200 0.023 0.000 1.031 436 S HN 0.445 nan 8.310 nan 0.000 0.485 437 S N 2.370 118.083 115.700 0.021 0.000 2.626 437 S HA 0.322 4.795 4.470 0.005 0.000 0.303 437 S C 0.169 174.790 174.600 0.036 0.000 1.256 437 S CA -0.173 58.042 58.200 0.025 0.000 1.069 437 S CB -0.257 62.954 63.200 0.018 0.000 0.807 437 S HN 0.851 nan 8.310 nan 0.000 0.500 438 A N 3.913 126.761 122.820 0.047 0.000 2.350 438 A HA 0.846 5.169 4.320 0.005 0.000 0.318 438 A C 0.032 177.641 177.584 0.042 0.000 1.132 438 A CA -0.604 51.470 52.037 0.061 0.000 0.811 438 A CB 1.951 21.012 19.000 0.103 0.000 1.313 438 A HN 0.873 nan 8.150 nan 0.000 0.454 439 T N -0.779 113.793 114.554 0.030 0.000 2.993 439 T HA 0.646 4.999 4.350 0.005 0.000 0.312 439 T C -1.156 173.496 174.700 -0.079 0.000 1.115 439 T CA 0.330 62.419 62.100 -0.018 0.000 1.027 439 T CB 1.078 69.934 68.868 -0.020 0.000 1.116 439 T HN 1.949 nan 8.240 nan 0.000 0.464 440 A N 3.989 126.696 122.820 -0.189 0.000 2.414 440 A HA 0.800 5.122 4.320 0.005 0.000 0.306 440 A C -0.840 176.542 177.584 -0.336 0.000 1.054 440 A CA -0.879 50.889 52.037 -0.449 0.000 0.724 440 A CB 1.346 19.709 19.000 -1.063 0.000 1.267 440 A HN 0.755 nan 8.150 nan 0.000 0.418 441 N N 1.514 120.037 118.700 -0.293 0.000 2.558 441 N HA 0.435 5.178 4.740 0.005 0.000 0.242 441 N C -0.925 174.504 175.510 -0.136 0.000 0.979 441 N CA -0.031 52.930 53.050 -0.148 0.000 0.931 441 N CB 1.770 40.215 38.487 -0.070 0.000 1.122 441 N HN 0.377 nan 8.380 nan 0.000 0.508 442 V N 0.836 120.684 119.914 -0.110 0.000 2.630 442 V HA 0.221 4.343 4.120 0.005 0.000 0.305 442 V C 0.302 176.404 176.094 0.013 0.000 1.046 442 V CA -0.837 61.449 62.300 -0.023 0.000 0.934 442 V CB 2.168 33.984 31.823 -0.012 0.000 1.003 442 V HN 0.426 nan 8.190 nan 0.000 0.451 443 D N 2.995 123.421 120.400 0.042 0.000 2.500 443 D HA 0.169 4.811 4.640 0.005 0.000 0.219 443 D C 0.313 176.633 176.300 0.033 0.000 1.137 443 D CA -0.350 53.672 54.000 0.036 0.000 0.946 443 D CB 0.998 41.823 40.800 0.042 0.000 1.022 443 D HN 0.452 nan 8.370 nan 0.000 0.518 444 V N 2.149 122.077 119.914 0.023 0.000 2.052 444 V HA 0.455 4.578 4.120 0.005 0.000 0.281 444 V C 1.287 177.396 176.094 0.025 0.000 1.668 444 V CA -0.035 62.275 62.300 0.017 0.000 1.621 444 V CB -0.250 31.575 31.823 0.003 0.000 1.488 444 V HN 0.387 nan 8.190 nan 0.000 0.513 445 A N 1.557 124.396 122.820 0.031 0.000 2.169 445 A HA 0.100 4.423 4.320 0.005 0.000 0.212 445 A C 2.188 179.805 177.584 0.056 0.000 1.153 445 A CA 1.239 53.298 52.037 0.038 0.000 0.756 445 A CB -0.187 18.831 19.000 0.031 0.000 0.813 445 A HN 0.676 nan 8.150 nan 0.000 0.471 446 S N -0.219 115.509 115.700 0.046 0.000 2.387 446 S HA 0.076 4.549 4.470 0.005 0.000 0.226 446 S C 0.565 175.208 174.600 0.071 0.000 1.026 446 S CA 0.237 58.468 58.200 0.051 0.000 0.972 446 S CB -0.296 62.909 63.200 0.009 0.000 0.814 446 S HN 0.361 nan 8.310 nan 0.000 0.477 447 L N 1.612 122.860 121.223 0.043 0.000 2.452 447 L HA 0.191 4.533 4.340 0.005 0.000 0.267 447 L C 1.144 178.136 176.870 0.203 0.000 1.188 447 L CA 0.847 55.699 54.840 0.020 0.000 0.821 447 L CB -0.190 41.862 42.059 -0.011 0.000 1.102 447 L HN 0.279 nan 8.230 nan 0.000 0.470 448 H N -1.382 117.678 119.070 -0.016 0.000 2.705 448 H HA 0.154 4.712 4.556 0.003 0.000 0.269 448 H C 0.421 175.741 175.328 -0.013 0.000 0.998 448 H CA 0.436 56.476 56.048 -0.013 0.000 1.193 448 H CB 0.877 30.632 29.762 -0.011 0.000 1.485 448 H HN 0.751 nan 8.280 nan 0.000 0.521 449 T N -1.829 112.778 114.554 0.089 0.000 2.633 449 T HA 0.372 4.725 4.350 0.005 0.000 0.262 449 T C -0.540 174.167 174.700 0.012 0.000 0.920 449 T CA -0.927 61.196 62.100 0.039 0.000 1.062 449 T CB 2.443 71.323 68.868 0.020 0.000 1.390 449 T HN 0.081 nan 8.240 nan 0.000 0.549 450 Q N 1.168 120.965 119.800 -0.005 0.000 3.147 450 Q HA 0.323 4.666 4.340 0.005 0.000 0.224 450 Q C -2.915 173.067 176.000 -0.031 0.000 0.901 450 Q CA -1.682 54.110 55.803 -0.018 0.000 0.729 450 Q CB 1.989 30.716 28.738 -0.018 0.000 1.363 450 Q HN 0.443 nan 8.270 nan 0.000 0.467 451 P HA 0.018 nan 4.420 nan 0.000 0.261 451 P C -0.356 176.914 177.300 -0.050 0.000 1.203 451 P CA 0.429 63.498 63.100 -0.053 0.000 0.767 451 P CB 0.514 32.168 31.700 -0.077 0.000 0.785 452 N N 1.105 119.777 118.700 -0.047 0.000 2.143 452 N HA 0.092 4.834 4.740 0.005 0.000 0.229 452 N C -0.381 175.103 175.510 -0.044 0.000 1.294 452 N CA -0.045 52.975 53.050 -0.050 0.000 0.883 452 N CB 0.549 38.998 38.487 -0.062 0.000 1.148 452 N HN 0.221 nan 8.380 nan 0.000 0.511 453 K N 0.856 121.234 120.400 -0.037 0.000 2.244 453 K HA 0.346 4.669 4.320 0.005 0.000 0.260 453 K C -0.805 175.779 176.600 -0.027 0.000 0.951 453 K CA -0.805 55.467 56.287 -0.025 0.000 0.826 453 K CB 1.907 34.403 32.500 -0.008 0.000 1.108 453 K HN -0.138 nan 8.250 nan 0.000 0.433 454 L N 5.724 126.937 121.223 -0.017 0.000 2.454 454 L HA 0.093 4.436 4.340 0.005 0.000 0.284 454 L C 1.191 178.067 176.870 0.010 0.000 1.139 454 L CA 0.534 55.367 54.840 -0.013 0.000 0.911 454 L CB -0.207 41.840 42.059 -0.019 0.000 1.262 454 L HN 0.674 nan 8.230 nan 0.000 0.453 455 L N 4.636 125.864 121.223 0.008 0.000 2.478 455 L HA -0.013 4.330 4.340 0.005 0.000 0.223 455 L C 0.016 176.980 176.870 0.156 0.000 1.140 455 L CA 0.518 55.383 54.840 0.042 0.000 0.842 455 L CB -0.218 41.792 42.059 -0.083 0.000 0.953 455 L HN 0.546 nan 8.230 nan 0.000 0.452 456 Y N -1.410 118.875 120.300 -0.026 0.000 2.643 456 Y HA 0.421 4.974 4.550 0.005 0.000 0.347 456 Y C 0.277 176.177 175.900 -0.001 0.000 1.208 456 Y CA -0.480 57.618 58.100 -0.003 0.000 1.245 456 Y CB 0.431 38.891 38.460 0.000 0.000 1.369 456 Y HN -0.081 nan 8.280 nan 0.000 0.487 457 G N 2.077 110.348 108.800 -0.881 0.000 2.238 457 G HA2 -0.156 3.807 3.960 0.005 0.000 0.217 457 G HA3 -0.156 3.807 3.960 0.005 0.000 0.217 457 G C 0.469 175.209 174.900 -0.266 0.000 0.996 457 G CA 0.442 45.193 45.100 -0.582 0.000 0.632 457 G HN 2.059 nan 8.290 nan 0.000 0.503 458 T N 0.017 114.460 114.554 -0.184 0.000 2.835 458 T HA 0.223 4.575 4.350 0.005 0.000 0.469 458 T C 0.473 175.137 174.700 -0.059 0.000 0.780 458 T CA 1.921 63.964 62.100 -0.096 0.000 2.422 458 T CB -1.393 67.422 68.868 -0.088 0.000 1.640 458 T HN 2.264 nan 8.240 nan 0.000 0.525 459 A N 3.526 126.326 122.820 -0.035 0.000 2.344 459 A HA 0.925 5.247 4.320 0.005 0.000 0.307 459 A C 0.163 177.751 177.584 0.006 0.000 1.151 459 A CA -0.622 51.409 52.037 -0.009 0.000 0.842 459 A CB 1.411 20.411 19.000 0.000 0.000 1.350 459 A HN 0.719 nan 8.150 nan 0.000 0.459 460 E N -0.722 119.491 120.200 0.021 0.000 2.493 460 E HA 0.565 4.917 4.350 0.005 0.000 0.243 460 E C -0.263 176.374 176.600 0.060 0.000 0.875 460 E CA -0.102 56.323 56.400 0.042 0.000 0.872 460 E CB 1.791 31.515 29.700 0.040 0.000 1.476 460 E HN 1.872 nan 8.360 nan 0.000 0.394 461 A N 1.713 124.594 122.820 0.102 0.000 2.018 461 A HA -0.193 4.130 4.320 0.005 0.000 0.263 461 A C 0.272 177.939 177.584 0.138 0.000 1.361 461 A CA 1.572 53.694 52.037 0.140 0.000 0.737 461 A CB -1.876 17.159 19.000 0.058 0.000 1.189 461 A HN 0.484 nan 8.150 nan 0.000 0.304 462 E N -0.114 120.191 120.200 0.175 0.000 2.685 462 E HA 0.241 4.594 4.350 0.005 0.000 0.208 462 E C -0.437 176.208 176.600 0.074 0.000 0.996 462 E CA -0.722 55.723 56.400 0.076 0.000 1.054 462 E CB 0.235 29.941 29.700 0.010 0.000 1.075 462 E HN 0.684 nan 8.360 nan 0.000 0.460 463 W N 2.142 123.426 121.300 -0.026 0.000 2.356 463 W HA 0.227 4.890 4.660 0.004 0.000 0.311 463 W C 0.420 176.924 176.519 -0.024 0.000 1.328 463 W CA 0.070 57.401 57.345 -0.022 0.000 1.251 463 W CB 0.500 29.948 29.460 -0.020 0.000 1.280 463 W HN 0.111 nan 8.180 nan 0.000 0.524 464 N N 1.018 119.772 118.700 0.091 0.000 2.982 464 N HA 0.807 5.550 4.740 0.005 0.000 0.319 464 N C 0.485 176.058 175.510 0.104 0.000 1.372 464 N CA 0.111 53.202 53.050 0.067 0.000 0.735 464 N CB 0.495 38.981 38.487 -0.003 0.000 1.158 464 N HN 0.416 nan 8.380 nan 0.000 0.505 465 G N -0.863 107.968 108.800 0.053 0.000 2.623 465 G HA2 0.100 4.063 3.960 0.005 0.000 0.085 465 G HA3 0.100 4.063 3.960 0.005 0.000 0.085 465 G C -1.431 173.490 174.900 0.033 0.000 1.116 465 G CA -0.436 44.704 45.100 0.066 0.000 1.200 465 G HN 0.641 nan 8.290 nan 0.000 0.556 466 E N 0.104 120.326 120.200 0.037 0.000 2.428 466 E HA 0.387 4.740 4.350 0.005 0.000 0.257 466 E C 0.641 177.250 176.600 0.015 0.000 1.197 466 E CA 0.640 57.053 56.400 0.023 0.000 0.974 466 E CB 0.972 30.686 29.700 0.023 0.000 0.976 466 E HN 0.380 nan 8.360 nan 0.000 0.463 467 E N 0.640 120.845 120.200 0.009 0.000 2.372 467 E HA 0.123 4.476 4.350 0.005 0.000 0.201 467 E C 1.798 178.400 176.600 0.003 0.000 0.938 467 E CA 0.976 57.379 56.400 0.005 0.000 0.944 467 E CB -0.255 29.445 29.700 -0.000 0.000 0.937 467 E HN 0.700 nan 8.360 nan 0.000 0.495 468 G N -0.242 108.560 108.800 0.003 0.000 2.529 468 G HA2 -0.193 3.769 3.960 0.005 0.000 0.219 468 G HA3 -0.193 3.769 3.960 0.005 0.000 0.219 468 G C 0.544 175.446 174.900 0.003 0.000 1.177 468 G CA 1.428 46.529 45.100 0.001 0.000 0.773 468 G HN 0.304 nan 8.290 nan 0.000 0.573 469 T N 0.856 115.415 114.554 0.009 0.000 3.078 469 T HA 0.393 4.745 4.350 0.005 0.000 0.328 469 T C -0.559 174.152 174.700 0.018 0.000 0.987 469 T CA -0.444 61.664 62.100 0.013 0.000 1.049 469 T CB 1.658 70.534 68.868 0.014 0.000 1.011 469 T HN 0.302 nan 8.240 nan 0.000 0.463 470 Q N 2.371 122.183 119.800 0.020 0.000 2.386 470 Q HA 0.309 4.652 4.340 0.005 0.000 0.282 470 Q C -0.225 175.790 176.000 0.025 0.000 1.050 470 Q CA 0.046 55.862 55.803 0.022 0.000 0.918 470 Q CB 0.435 29.186 28.738 0.022 0.000 1.266 470 Q HN 0.540 nan 8.270 nan 0.000 0.423 471 Q N 1.390 121.207 119.800 0.029 0.000 2.331 471 Q HA 0.693 5.036 4.340 0.005 0.000 0.272 471 Q C -1.505 174.516 176.000 0.036 0.000 1.062 471 Q CA -0.506 55.315 55.803 0.030 0.000 0.806 471 Q CB 1.941 30.700 28.738 0.034 0.000 1.312 471 Q HN 0.537 nan 8.270 nan 0.000 0.431 472 L N 1.585 122.821 121.223 0.021 0.000 2.381 472 L HA 0.850 5.192 4.340 0.005 0.000 0.268 472 L C -1.233 175.639 176.870 0.003 0.000 0.997 472 L CA -0.608 54.245 54.840 0.022 0.000 0.818 472 L CB 2.312 44.372 42.059 0.000 0.000 1.310 472 L HN 0.973 nan 8.230 nan 0.000 0.416 473 S N 4.895 120.614 115.700 0.032 0.000 2.659 473 S HA 0.637 5.109 4.470 0.005 0.000 0.312 473 S C -1.014 173.592 174.600 0.011 0.000 1.114 473 S CA -0.726 57.473 58.200 -0.001 0.000 1.063 473 S CB 1.478 64.687 63.200 0.015 0.000 0.996 473 S HN 0.571 nan 8.310 nan 0.000 0.478 474 L N 2.706 123.904 121.223 -0.042 0.000 2.365 474 L HA 0.647 4.989 4.340 0.005 0.000 0.273 474 L C -0.656 176.201 176.870 -0.021 0.000 1.000 474 L CA -0.296 54.531 54.840 -0.021 0.000 0.819 474 L CB 2.458 44.496 42.059 -0.034 0.000 1.284 474 L HN 0.763 nan 8.230 nan 0.000 0.418 475 T N 4.406 118.965 114.554 0.008 0.000 2.840 475 T HA 0.627 4.979 4.350 0.005 0.000 0.287 475 T C -0.837 173.877 174.700 0.023 0.000 0.991 475 T CA -0.371 61.736 62.100 0.013 0.000 0.964 475 T CB 1.268 70.144 68.868 0.013 0.000 0.954 475 T HN 0.108 nan 8.240 nan 0.000 0.438 476 L N 5.402 126.645 121.223 0.032 0.000 2.362 476 L HA 0.589 4.931 4.340 0.005 0.000 0.271 476 L C -2.356 174.534 176.870 0.032 0.000 1.002 476 L CA -2.311 52.551 54.840 0.035 0.000 0.818 476 L CB 1.437 43.529 42.059 0.056 0.000 1.298 476 L HN 0.344 nan 8.230 nan 0.000 0.420 477 P HA 0.155 nan 4.420 nan 0.000 0.271 477 P C -0.786 176.527 177.300 0.021 0.000 1.233 477 P CA -0.382 62.728 63.100 0.016 0.000 0.789 477 P CB 0.470 32.173 31.700 0.006 0.000 0.951 478 A N 2.523 125.352 122.820 0.015 0.000 2.520 478 A HA 0.030 4.353 4.320 0.005 0.000 0.235 478 A C 0.386 177.973 177.584 0.004 0.000 1.065 478 A CA -0.051 51.991 52.037 0.010 0.000 0.764 478 A CB -0.571 18.430 19.000 0.002 0.000 1.002 478 A HN 0.640 nan 8.150 nan 0.000 0.502 479 R N 0.161 120.657 120.500 -0.007 0.000 3.092 479 R HA -0.142 4.201 4.340 0.005 0.000 0.245 479 R C -0.484 175.823 176.300 0.012 0.000 0.881 479 R CA 1.072 57.163 56.100 -0.015 0.000 0.614 479 R CB -2.370 27.915 30.300 -0.026 0.000 1.128 479 R HN 0.702 nan 8.270 nan 0.000 0.483 480 S N -1.564 114.157 115.700 0.035 0.000 2.638 480 S HA 0.886 5.359 4.470 0.005 0.000 0.274 480 S C 0.025 174.682 174.600 0.096 0.000 1.157 480 S CA -0.253 57.977 58.200 0.049 0.000 0.826 480 S CB 2.744 65.958 63.200 0.022 0.000 1.139 480 S HN 0.588 nan 8.310 nan 0.000 0.474 481 G N -0.328 108.537 108.800 0.108 0.000 2.690 481 G HA2 0.712 4.675 3.960 0.005 0.000 0.291 481 G HA3 0.712 4.675 3.960 0.005 0.000 0.291 481 G C -1.021 173.963 174.900 0.139 0.000 1.403 481 G CA -0.373 44.833 45.100 0.176 0.000 0.864 481 G HN 1.460 nan 8.290 nan 0.000 0.480 482 C N -0.931 118.468 119.300 0.164 0.000 3.239 482 C HA 0.815 5.277 4.460 0.005 0.000 0.329 482 C C -1.487 173.578 174.990 0.125 0.000 1.252 482 C CA -1.038 58.057 59.018 0.129 0.000 1.323 482 C CB 0.520 28.274 27.740 0.023 0.000 1.663 482 C HN 0.648 nan 8.230 nan 0.000 0.487 483 I N 2.140 122.790 120.570 0.134 0.000 2.406 483 I HA 0.624 4.796 4.170 0.005 0.000 0.290 483 I C -0.264 175.821 176.117 -0.054 0.000 0.999 483 I CA -0.527 60.773 61.300 -0.000 0.000 1.124 483 I CB 1.581 39.570 38.000 -0.020 0.000 1.289 483 I HN 0.670 nan 8.210 nan 0.000 0.441 484 L N 5.718 126.876 121.223 -0.107 0.000 2.307 484 L HA 0.867 5.209 4.340 0.005 0.000 0.284 484 L C 0.500 177.285 176.870 -0.141 0.000 1.023 484 L CA -0.200 54.578 54.840 -0.102 0.000 0.810 484 L CB 1.595 43.603 42.059 -0.084 0.000 1.231 484 L HN 0.775 nan 8.230 nan 0.000 0.423 485 G N -0.078 108.649 108.800 -0.122 0.000 3.085 485 G HA2 0.525 4.488 3.960 0.005 0.000 0.264 485 G HA3 0.525 4.488 3.960 0.005 0.000 0.264 485 G C 0.060 174.933 174.900 -0.044 0.000 1.206 485 G CA 0.502 45.530 45.100 -0.120 0.000 0.809 485 G HN 0.522 nan 8.290 nan 0.000 0.592 486 T N -1.683 112.875 114.554 0.006 0.000 12.892 486 T HA -0.171 4.182 4.350 0.005 0.000 0.418 486 T C 0.970 175.677 174.700 0.012 0.000 1.450 486 T CA 2.800 64.918 62.100 0.031 0.000 2.382 486 T CB -1.456 67.423 68.868 0.018 0.000 2.816 486 T HN 2.355 nan 8.240 nan 0.000 0.702 487 G N 0.000 108.795 108.800 -0.009 0.000 5.446 487 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 487 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 487 G CA 0.000 nan 45.100 nan 0.000 0.502 487 G HN 0.000 nan 8.290 nan 0.000 0.925