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 1wsv_1_A DATA FIRST_RESID 4 DATA SEQUENCE VLRRTPLYDF HLAHGGKMVA FAGWSLPVQY RDSHTDSHLH TRQHCSLFDV DATA SEQUENCE SHMLQTKILG SDRVKLMESL VVGDIAELRP NQGTLSLFTN EAGGILDDLI DATA SEQUENCE VTNTSEGHLY VVSNAGCWEK DLALMQDKVR ELQNQGRDVG LEVLDNALLA DATA SEQUENCE LQGPTAAQVL QAGVADDLRK LPFMTSAVME VFGVSGCRVT RCGYTGEDGV DATA SEQUENCE EISVPVAGAV HLATAILKNP EVKLAGLAAR DSLRLEAGLC LYGNDIDEHT DATA SEQUENCE TPVEGSLSWT LGKRRRAAMD FPGAKVIVPQ LKGRVQRRRV GLMCEGAPMR DATA SEQUENCE AHSPILNMEG TKIGTVTSGC PSPSLKKNVA MGYVPCEYSR PGTMLLVEVR DATA SEQUENCE RKQQMAVVSK MPFVPTNYYT L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.050 176.094 -0.074 0.000 1.182 4 V CA 0.000 62.272 62.300 -0.048 0.000 1.235 4 V CB 0.000 31.789 31.823 -0.057 0.000 1.184 5 L N 3.984 125.165 121.223 -0.070 0.000 2.350 5 L HA 0.594 4.934 4.340 -0.001 0.000 0.275 5 L C 0.734 177.492 176.870 -0.186 0.000 1.099 5 L CA -0.461 54.324 54.840 -0.091 0.000 0.808 5 L CB 0.982 43.042 42.059 0.002 0.000 1.149 5 L HN 0.587 nan 8.230 nan 0.000 0.442 6 R N 2.443 122.732 120.500 -0.352 0.000 2.490 6 R HA 0.474 4.814 4.340 -0.001 0.000 0.278 6 R C -0.666 175.503 176.300 -0.218 0.000 1.069 6 R CA -0.563 55.207 56.100 -0.549 0.000 1.080 6 R CB 0.814 30.322 30.300 -1.320 0.000 1.030 6 R HN 0.538 nan 8.270 nan 0.000 0.491 7 R N 0.488 120.938 120.500 -0.083 0.000 2.637 7 R HA 0.250 4.590 4.340 -0.001 0.000 0.291 7 R C -0.056 176.500 176.300 0.427 0.000 0.963 7 R CA -0.683 55.524 56.100 0.178 0.000 0.901 7 R CB 1.940 32.127 30.300 -0.189 0.000 1.160 7 R HN 0.693 nan 8.270 nan 0.000 0.457 8 T N -1.136 113.736 114.554 0.530 0.000 2.788 8 T HA 0.208 4.557 4.350 -0.001 0.000 0.280 8 T C -1.748 173.121 174.700 0.282 0.000 0.984 8 T CA -1.561 60.781 62.100 0.403 0.000 0.972 8 T CB 0.931 69.969 68.868 0.284 0.000 1.039 8 T HN 0.246 nan 8.240 nan 0.000 0.530 9 P HA 0.147 nan 4.420 nan 0.000 0.228 9 P C 0.837 178.202 177.300 0.108 0.000 1.151 9 P CA 0.673 63.849 63.100 0.126 0.000 0.770 9 P CB -0.044 31.701 31.700 0.076 0.000 0.786 10 L N -3.237 118.047 121.223 0.101 0.000 2.653 10 L HA 0.107 4.446 4.340 -0.001 0.000 0.231 10 L C 1.858 178.743 176.870 0.026 0.000 1.153 10 L CA -0.208 54.611 54.840 -0.035 0.000 0.933 10 L CB -0.498 41.402 42.059 -0.265 0.000 1.175 10 L HN -0.054 nan 8.230 nan 0.000 0.473 11 Y N 1.723 122.107 120.300 0.140 0.000 2.014 11 Y HA -0.392 4.158 4.550 -0.000 0.000 0.272 11 Y C 2.226 178.233 175.900 0.178 0.000 1.164 11 Y CA 2.196 60.435 58.100 0.232 0.000 1.114 11 Y CB -0.032 38.537 38.460 0.182 0.000 0.961 11 Y HN 0.318 nan 8.280 nan 0.000 0.489 12 D N -0.686 119.820 120.400 0.176 0.000 2.178 12 D HA -0.219 4.421 4.640 -0.001 0.000 0.201 12 D C 2.087 178.390 176.300 0.004 0.000 0.980 12 D CA 1.498 55.526 54.000 0.047 0.000 0.842 12 D CB -0.700 40.174 40.800 0.125 0.000 0.948 12 D HN 0.436 nan 8.370 nan 0.000 0.472 13 F N 2.111 121.999 119.950 -0.104 0.000 2.134 13 F HA -0.235 4.291 4.527 -0.001 0.000 0.299 13 F C 2.436 178.220 175.800 -0.026 0.000 1.097 13 F CA 1.586 59.521 58.000 -0.108 0.000 1.264 13 F CB -0.165 38.751 39.000 -0.140 0.000 1.001 13 F HN -0.021 nan 8.300 nan 0.000 0.479 14 H N 0.462 119.638 119.070 0.177 0.000 2.293 14 H HA -0.129 4.426 4.556 -0.001 0.000 0.300 14 H C 2.569 177.851 175.328 -0.076 0.000 1.082 14 H CA 1.998 58.113 56.048 0.112 0.000 1.308 14 H CB -0.955 28.835 29.762 0.048 0.000 1.375 14 H HN 0.322 nan 8.280 nan 0.000 0.495 15 L N 0.240 121.413 121.223 -0.083 0.000 2.012 15 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 15 L C 2.816 179.602 176.870 -0.140 0.000 1.073 15 L CA 1.129 55.875 54.840 -0.156 0.000 0.748 15 L CB -0.590 41.327 42.059 -0.236 0.000 0.891 15 L HN 0.223 nan 8.230 nan 0.000 0.431 16 A N -1.497 121.193 122.820 -0.216 0.000 2.070 16 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 16 A C 1.694 179.024 177.584 -0.422 0.000 1.159 16 A CA 1.323 53.165 52.037 -0.325 0.000 0.656 16 A CB -0.595 18.151 19.000 -0.423 0.000 0.800 16 A HN 0.468 nan 8.150 nan 0.000 0.453 17 H N -1.544 117.413 119.070 -0.189 0.000 2.505 17 H HA 0.310 4.866 4.556 -0.001 0.000 0.289 17 H C 1.486 176.835 175.328 0.035 0.000 1.052 17 H CA 0.387 56.342 56.048 -0.156 0.000 1.156 17 H CB 0.032 29.593 29.762 -0.335 0.000 1.507 17 H HN 0.590 nan 8.280 nan 0.000 0.548 18 G N 0.460 109.317 108.800 0.094 0.000 2.157 18 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.239 18 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.239 18 G C 0.888 175.805 174.900 0.029 0.000 0.982 18 G CA -0.003 45.144 45.100 0.078 0.000 0.650 18 G HN 0.690 nan 8.290 nan 0.000 0.527 19 G N 0.141 108.922 108.800 -0.031 0.000 2.305 19 G HA2 0.398 4.358 3.960 -0.001 0.000 0.243 19 G HA3 0.398 4.358 3.960 -0.001 0.000 0.243 19 G C 0.212 174.950 174.900 -0.270 0.000 1.288 19 G CA 0.035 44.891 45.100 -0.407 0.000 0.901 19 G HN 0.462 nan 8.290 nan 0.000 0.516 20 K N 3.812 124.033 120.400 -0.299 0.000 2.290 20 K HA 0.158 4.478 4.320 -0.001 0.000 0.250 20 K C 0.265 176.777 176.600 -0.147 0.000 1.092 20 K CA -0.657 55.534 56.287 -0.160 0.000 1.006 20 K CB 0.802 33.237 32.500 -0.107 0.000 1.549 20 K HN 0.354 nan 8.250 nan 0.000 0.436 21 M N 2.460 121.993 119.600 -0.112 0.000 2.250 21 M HA 0.078 4.558 4.480 -0.001 0.000 0.337 21 M C 0.421 176.726 176.300 0.008 0.000 1.161 21 M CA 0.052 55.322 55.300 -0.050 0.000 1.088 21 M CB -0.190 32.421 32.600 0.019 0.000 1.639 21 M HN 0.363 nan 8.290 nan 0.000 0.447 22 V N -0.783 119.155 119.914 0.041 0.000 3.206 22 V HA 0.948 5.068 4.120 -0.001 0.000 0.305 22 V C -0.694 175.482 176.094 0.136 0.000 1.257 22 V CA -1.489 60.857 62.300 0.078 0.000 1.057 22 V CB 1.505 33.370 31.823 0.071 0.000 1.075 22 V HN 0.966 nan 8.190 nan 0.000 0.443 23 A N 1.675 124.583 122.820 0.145 0.000 2.309 23 A HA 0.811 5.131 4.320 -0.001 0.000 0.290 23 A C -1.005 176.734 177.584 0.258 0.000 1.206 23 A CA -0.114 52.028 52.037 0.175 0.000 0.850 23 A CB -0.110 18.959 19.000 0.116 0.000 1.118 23 A HN 1.556 nan 8.150 nan 0.000 0.523 24 F N 2.739 122.769 119.950 0.135 0.000 2.612 24 F HA 0.497 5.023 4.527 -0.001 0.000 0.332 24 F C 0.634 176.586 175.800 0.253 0.000 1.167 24 F CA 0.349 58.440 58.000 0.151 0.000 0.970 24 F CB 1.488 40.544 39.000 0.095 0.000 1.234 24 F HN 1.327 nan 8.300 nan 0.000 0.453 25 A N 3.820 126.464 122.820 -0.294 0.000 2.799 25 A HA 0.087 4.406 4.320 -0.001 0.000 0.287 25 A C 1.681 179.424 177.584 0.266 0.000 1.484 25 A CA 1.511 53.515 52.037 -0.055 0.000 0.813 25 A CB -2.174 16.787 19.000 -0.066 0.000 1.009 25 A HN 2.672 nan 8.150 nan 0.000 0.545 26 G N -4.654 104.248 108.800 0.169 0.000 2.159 26 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.256 26 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.256 26 G C -0.053 174.837 174.900 -0.016 0.000 0.977 26 G CA 0.726 45.870 45.100 0.074 0.000 0.652 26 G HN 1.463 nan 8.290 nan 0.000 0.531 27 W N -0.237 121.134 121.300 0.119 0.000 2.736 27 W HA 0.737 5.397 4.660 0.000 0.000 0.355 27 W C 0.424 177.011 176.519 0.113 0.000 1.102 27 W CA -0.500 56.912 57.345 0.112 0.000 1.164 27 W CB 1.711 31.243 29.460 0.120 0.000 1.422 27 W HN 0.206 nan 8.180 nan 0.000 0.572 28 S N 2.359 118.288 115.700 0.382 0.000 2.474 28 S HA 0.706 5.175 4.470 -0.001 0.000 0.320 28 S C -1.014 173.755 174.600 0.282 0.000 1.067 28 S CA -0.376 58.006 58.200 0.303 0.000 1.127 28 S CB -0.582 62.814 63.200 0.327 0.000 0.971 28 S HN 0.404 nan 8.310 nan 0.000 0.472 29 L N 5.698 126.997 121.223 0.127 0.000 2.350 29 L HA 0.655 4.994 4.340 -0.001 0.000 0.260 29 L C -2.313 174.449 176.870 -0.180 0.000 1.015 29 L CA -2.701 52.091 54.840 -0.080 0.000 0.821 29 L CB 2.783 44.715 42.059 -0.211 0.000 1.370 29 L HN 0.425 nan 8.230 nan 0.000 0.416 30 P HA 0.001 nan 4.420 nan 0.000 0.276 30 P C 0.328 177.450 177.300 -0.297 0.000 1.243 30 P CA 0.040 62.882 63.100 -0.431 0.000 0.768 30 P CB 1.949 33.153 31.700 -0.827 0.000 0.856 31 V N 2.904 122.698 119.914 -0.199 0.000 2.788 31 V HA -0.083 4.037 4.120 -0.001 0.000 0.251 31 V C 0.918 176.971 176.094 -0.068 0.000 1.068 31 V CA 2.039 64.280 62.300 -0.098 0.000 1.090 31 V CB -0.468 31.334 31.823 -0.035 0.000 0.710 31 V HN 0.856 nan 8.190 nan 0.000 0.467 32 Q N -3.165 116.543 119.800 -0.155 0.000 2.907 32 Q HA 0.322 4.662 4.340 -0.001 0.000 0.310 32 Q C -1.438 174.396 176.000 -0.276 0.000 0.861 32 Q CA -0.763 55.000 55.803 -0.066 0.000 0.769 32 Q CB 0.926 29.706 28.738 0.069 0.000 1.465 32 Q HN 0.098 nan 8.270 nan 0.000 0.449 33 Y N -0.511 119.776 120.300 -0.023 0.000 3.326 33 Y HA 0.493 5.043 4.550 -0.001 0.000 0.306 33 Y C 1.743 177.623 175.900 -0.034 0.000 1.652 33 Y CA -0.815 57.264 58.100 -0.035 0.000 0.810 33 Y CB 0.073 38.500 38.460 -0.054 0.000 1.269 33 Y HN 0.429 nan 8.280 nan 0.000 0.744 34 R N 0.668 121.271 120.500 0.172 0.000 2.075 34 R HA -0.030 4.310 4.340 -0.001 0.000 0.232 34 R C -0.667 175.653 176.300 0.032 0.000 1.126 34 R CA 1.126 57.262 56.100 0.061 0.000 0.963 34 R CB -0.807 29.509 30.300 0.027 0.000 0.858 34 R HN 0.572 nan 8.270 nan 0.000 0.435 35 D N 1.465 121.884 120.400 0.031 0.000 2.304 35 D HA 0.046 4.686 4.640 -0.001 0.000 0.247 35 D C 0.301 176.612 176.300 0.019 0.000 1.089 35 D CA -0.012 53.991 54.000 0.004 0.000 0.910 35 D CB 1.137 41.921 40.800 -0.026 0.000 1.199 35 D HN 0.064 nan 8.370 nan 0.000 0.426 36 S N 0.892 116.579 115.700 -0.022 0.000 2.560 36 S HA -0.102 4.368 4.470 -0.001 0.000 0.276 36 S C 1.236 175.815 174.600 -0.035 0.000 1.350 36 S CA -0.014 58.137 58.200 -0.081 0.000 1.024 36 S CB 0.308 63.411 63.200 -0.162 0.000 0.864 36 S HN 0.615 nan 8.310 nan 0.000 0.536 37 H N 0.323 119.428 119.070 0.059 0.000 2.491 37 H HA 0.048 4.604 4.556 -0.001 0.000 0.290 37 H C 1.616 177.011 175.328 0.111 0.000 1.050 37 H CA 1.705 57.807 56.048 0.089 0.000 1.309 37 H CB -1.288 28.522 29.762 0.080 0.000 1.392 37 H HN 0.568 nan 8.280 nan 0.000 0.554 38 T N 0.554 115.049 114.554 -0.098 0.000 2.737 38 T HA -0.125 4.225 4.350 -0.001 0.000 0.265 38 T C 1.332 176.086 174.700 0.089 0.000 1.038 38 T CA 1.432 63.541 62.100 0.015 0.000 1.144 38 T CB -0.232 68.558 68.868 -0.130 0.000 0.866 38 T HN 0.428 nan 8.240 nan 0.000 0.434 39 D N 0.702 121.128 120.400 0.042 0.000 2.144 39 D HA -0.028 4.612 4.640 -0.001 0.000 0.200 39 D C 2.337 178.722 176.300 0.141 0.000 0.978 39 D CA 0.778 54.825 54.000 0.078 0.000 0.833 39 D CB -0.448 40.371 40.800 0.030 0.000 0.961 39 D HN 0.257 nan 8.370 nan 0.000 0.470 40 S N -0.504 115.277 115.700 0.135 0.000 2.368 40 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 40 S C 1.911 176.643 174.600 0.220 0.000 1.030 40 S CA 1.587 59.873 58.200 0.145 0.000 0.999 40 S CB -0.229 63.047 63.200 0.126 0.000 0.844 40 S HN 0.410 nan 8.310 nan 0.000 0.459 41 H N 0.795 119.958 119.070 0.155 0.000 2.267 41 H HA -0.017 4.538 4.556 -0.001 0.000 0.297 41 H C 2.029 177.432 175.328 0.125 0.000 1.080 41 H CA 2.314 58.456 56.048 0.156 0.000 1.278 41 H CB -0.382 29.464 29.762 0.141 0.000 1.365 41 H HN 0.351 nan 8.280 nan 0.000 0.489 42 L N -0.636 120.798 121.223 0.352 0.000 2.042 42 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 42 L C 2.630 179.579 176.870 0.132 0.000 1.076 42 L CA 1.704 56.681 54.840 0.230 0.000 0.749 42 L CB -0.717 41.445 42.059 0.171 0.000 0.893 42 L HN 0.473 nan 8.230 nan 0.000 0.432 43 H N 0.013 119.144 119.070 0.102 0.000 2.387 43 H HA -0.169 4.387 4.556 -0.001 0.000 0.299 43 H C 2.120 177.505 175.328 0.095 0.000 1.099 43 H CA 2.128 58.250 56.048 0.122 0.000 1.315 43 H CB -0.050 29.762 29.762 0.084 0.000 1.380 43 H HN 0.151 nan 8.280 nan 0.000 0.513 44 T N 0.348 114.926 114.554 0.040 0.000 2.821 44 T HA -0.067 4.283 4.350 -0.001 0.000 0.267 44 T C 1.859 176.511 174.700 -0.080 0.000 1.046 44 T CA 1.280 63.379 62.100 -0.003 0.000 1.139 44 T CB -0.050 68.866 68.868 0.080 0.000 0.871 44 T HN 0.401 nan 8.240 nan 0.000 0.454 45 R N 0.255 120.700 120.500 -0.093 0.000 2.299 45 R HA 0.156 4.496 4.340 -0.001 0.000 0.197 45 R C 1.944 178.153 176.300 -0.151 0.000 0.971 45 R CA 0.550 56.589 56.100 -0.101 0.000 1.030 45 R CB 0.084 30.347 30.300 -0.061 0.000 0.932 45 R HN 0.243 nan 8.270 nan 0.000 0.477 46 Q N -1.568 118.086 119.800 -0.242 0.000 2.391 46 Q HA 0.118 4.458 4.340 -0.001 0.000 0.243 46 Q C 0.697 176.287 176.000 -0.684 0.000 0.874 46 Q CA 0.821 56.368 55.803 -0.426 0.000 0.950 46 Q CB 0.696 29.161 28.738 -0.455 0.000 1.103 46 Q HN 0.329 nan 8.270 nan 0.000 0.544 47 H N -2.287 116.604 119.070 -0.299 0.000 5.120 47 H HA 0.537 5.093 4.556 -0.001 0.000 0.090 47 H C -0.031 175.166 175.328 -0.218 0.000 1.292 47 H CA 0.597 56.473 56.048 -0.287 0.000 0.528 47 H CB 0.557 30.046 29.762 -0.455 0.000 1.593 47 H HN 0.254 nan 8.280 nan 0.000 0.138 48 C N 0.270 119.511 119.300 -0.099 0.000 3.249 48 C HA 0.731 5.191 4.460 -0.001 0.000 0.358 48 C C -0.821 174.247 174.990 0.130 0.000 1.187 48 C CA -0.866 58.167 59.018 0.025 0.000 1.170 48 C CB 1.172 28.951 27.740 0.065 0.000 1.478 48 C HN 0.539 nan 8.230 nan 0.000 0.508 49 S N 0.645 116.420 115.700 0.125 0.000 2.599 49 S HA 0.873 5.343 4.470 -0.001 0.000 0.294 49 S C -1.257 173.307 174.600 -0.059 0.000 1.094 49 S CA -0.577 57.624 58.200 0.002 0.000 0.931 49 S CB 1.669 64.777 63.200 -0.152 0.000 1.093 49 S HN 1.112 nan 8.310 nan 0.000 0.488 50 L N 2.377 123.467 121.223 -0.222 0.000 2.313 50 L HA 0.717 5.056 4.340 -0.001 0.000 0.283 50 L C -1.906 174.838 176.870 -0.209 0.000 1.013 50 L CA -0.180 54.607 54.840 -0.088 0.000 0.816 50 L CB 0.361 42.386 42.059 -0.057 0.000 1.236 50 L HN 0.538 nan 8.230 nan 0.000 0.419 51 F N 2.257 122.270 119.950 0.105 0.000 2.532 51 F HA 0.422 4.948 4.527 -0.001 0.000 0.321 51 F C -0.189 175.697 175.800 0.143 0.000 1.089 51 F CA -0.917 57.165 58.000 0.137 0.000 0.926 51 F CB 1.609 40.680 39.000 0.119 0.000 1.168 51 F HN 0.427 nan 8.300 nan 0.000 0.459 52 D N 1.573 122.198 120.400 0.375 0.000 2.329 52 D HA 0.409 5.048 4.640 -0.001 0.000 0.232 52 D C -0.182 176.282 176.300 0.273 0.000 1.088 52 D CA -0.382 53.797 54.000 0.299 0.000 0.835 52 D CB 1.418 42.469 40.800 0.419 0.000 1.078 52 D HN 0.341 nan 8.370 nan 0.000 0.495 53 V N 1.350 121.380 119.914 0.194 0.000 2.915 53 V HA 0.257 4.376 4.120 -0.001 0.000 0.364 53 V C 1.106 177.185 176.094 -0.024 0.000 1.354 53 V CA -0.421 61.946 62.300 0.112 0.000 1.213 53 V CB -0.039 31.762 31.823 -0.038 0.000 1.268 53 V HN 0.366 nan 8.190 nan 0.000 0.557 54 S N 1.841 117.581 115.700 0.066 0.000 2.500 54 S HA -0.121 4.348 4.470 -0.001 0.000 0.239 54 S C 1.744 176.199 174.600 -0.242 0.000 0.989 54 S CA 1.594 59.767 58.200 -0.044 0.000 0.951 54 S CB -0.535 62.674 63.200 0.016 0.000 0.759 54 S HN 1.007 nan 8.310 nan 0.000 0.523 55 H N 0.113 118.821 119.070 -0.604 0.000 2.548 55 H HA 0.272 4.828 4.556 -0.001 0.000 0.268 55 H C 0.576 175.572 175.328 -0.552 0.000 0.975 55 H CA -0.035 55.301 56.048 -1.187 0.000 1.195 55 H CB -0.528 28.186 29.762 -1.747 0.000 1.397 55 H HN 0.357 nan 8.280 nan 0.000 0.572 56 M N 1.164 120.403 119.600 -0.603 0.000 2.228 56 M HA 0.112 4.591 4.480 -0.001 0.000 0.326 56 M C -0.181 176.021 176.300 -0.163 0.000 1.122 56 M CA -0.889 54.195 55.300 -0.359 0.000 1.161 56 M CB 1.386 33.776 32.600 -0.351 0.000 1.437 56 M HN 0.068 nan 8.290 nan 0.000 0.465 57 L N 2.774 123.962 121.223 -0.058 0.000 2.281 57 L HA 0.196 4.536 4.340 -0.001 0.000 0.285 57 L C -0.755 176.098 176.870 -0.029 0.000 1.074 57 L CA 0.448 55.295 54.840 0.011 0.000 0.817 57 L CB 0.492 42.631 42.059 0.133 0.000 1.168 57 L HN 0.551 nan 8.230 nan 0.000 0.434 58 Q N 4.423 124.218 119.800 -0.009 0.000 2.347 58 Q HA 0.518 4.857 4.340 -0.001 0.000 0.262 58 Q C -0.541 175.485 176.000 0.043 0.000 0.980 58 Q CA -0.541 55.257 55.803 -0.008 0.000 0.867 58 Q CB 1.524 30.320 28.738 0.097 0.000 1.242 58 Q HN 0.785 nan 8.270 nan 0.000 0.453 59 T N -0.522 114.039 114.554 0.013 0.000 2.916 59 T HA 0.637 4.987 4.350 -0.001 0.000 0.292 59 T C -0.499 174.269 174.700 0.113 0.000 1.064 59 T CA -1.037 61.104 62.100 0.068 0.000 1.011 59 T CB 2.076 70.984 68.868 0.065 0.000 1.152 59 T HN 0.296 nan 8.240 nan 0.000 0.510 60 K N 0.991 121.465 120.400 0.122 0.000 2.324 60 K HA 0.564 4.883 4.320 -0.001 0.000 0.253 60 K C -1.024 175.649 176.600 0.122 0.000 0.932 60 K CA -0.992 55.396 56.287 0.168 0.000 0.799 60 K CB 1.710 34.252 32.500 0.071 0.000 1.154 60 K HN 0.474 nan 8.250 nan 0.000 0.425 61 I N 5.079 125.738 120.570 0.149 0.000 2.328 61 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 61 I C -0.266 175.925 176.117 0.123 0.000 1.012 61 I CA -0.695 60.669 61.300 0.107 0.000 1.195 61 I CB 0.631 38.684 38.000 0.088 0.000 1.350 61 I HN 0.370 nan 8.210 nan 0.000 0.464 62 L N 4.082 125.357 121.223 0.087 0.000 2.400 62 L HA 0.890 5.229 4.340 -0.001 0.000 0.264 62 L C 0.755 177.662 176.870 0.061 0.000 1.061 62 L CA -0.237 54.651 54.840 0.081 0.000 0.799 62 L CB 0.776 42.862 42.059 0.045 0.000 1.240 62 L HN 0.813 nan 8.230 nan 0.000 0.461 63 G N 0.235 109.067 108.800 0.054 0.000 2.619 63 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.686 63 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.686 63 G C 0.296 175.219 174.900 0.038 0.000 1.256 63 G CA -0.080 45.044 45.100 0.040 0.000 0.826 63 G HN 0.864 nan 8.290 nan 0.000 0.619 64 S N -1.346 114.372 115.700 0.029 0.000 2.527 64 S HA 0.128 4.598 4.470 -0.001 0.000 0.222 64 S C 0.971 175.584 174.600 0.023 0.000 0.985 64 S CA 1.556 59.771 58.200 0.024 0.000 0.921 64 S CB 0.276 63.488 63.200 0.019 0.000 0.772 64 S HN 0.536 nan 8.310 nan 0.000 0.529 65 D N 1.540 121.955 120.400 0.024 0.000 2.368 65 D HA 0.148 4.787 4.640 -0.001 0.000 0.218 65 D C 1.862 178.179 176.300 0.027 0.000 1.112 65 D CA -0.171 53.842 54.000 0.023 0.000 0.834 65 D CB 0.160 40.972 40.800 0.020 0.000 0.953 65 D HN 0.548 nan 8.370 nan 0.000 0.505 66 R N 0.126 120.646 120.500 0.033 0.000 2.091 66 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 66 R C 1.467 177.786 176.300 0.033 0.000 1.136 66 R CA 1.079 57.203 56.100 0.039 0.000 0.959 66 R CB -0.974 29.357 30.300 0.050 0.000 0.856 66 R HN 0.062 nan 8.270 nan 0.000 0.437 67 V N 1.740 121.668 119.914 0.024 0.000 2.407 67 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 67 V C 2.637 178.744 176.094 0.022 0.000 1.055 67 V CA 2.149 64.460 62.300 0.017 0.000 1.049 67 V CB -0.576 31.253 31.823 0.010 0.000 0.662 67 V HN 0.423 nan 8.190 nan 0.000 0.455 68 K N -0.008 120.406 120.400 0.023 0.000 2.097 68 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 68 K C 2.194 178.812 176.600 0.031 0.000 1.050 68 K CA 1.451 57.753 56.287 0.025 0.000 0.938 68 K CB -0.140 32.372 32.500 0.021 0.000 0.718 68 K HN 0.461 nan 8.250 nan 0.000 0.442 69 L N 0.349 121.592 121.223 0.033 0.000 2.005 69 L HA -0.162 4.178 4.340 -0.001 0.000 0.207 69 L C 2.448 179.352 176.870 0.056 0.000 1.072 69 L CA 1.298 56.161 54.840 0.039 0.000 0.744 69 L CB -0.274 41.809 42.059 0.039 0.000 0.895 69 L HN 0.253 nan 8.230 nan 0.000 0.433 70 M N 0.324 119.959 119.600 0.058 0.000 2.086 70 M HA -0.235 4.245 4.480 -0.001 0.000 0.261 70 M C 2.080 178.421 176.300 0.068 0.000 1.067 70 M CA 1.859 57.202 55.300 0.072 0.000 1.116 70 M CB -0.543 32.080 32.600 0.038 0.000 1.348 70 M HN 0.266 nan 8.290 nan 0.000 0.407 71 E N -0.717 119.510 120.200 0.045 0.000 2.209 71 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 71 E C 1.757 178.399 176.600 0.070 0.000 0.993 71 E CA 1.474 57.903 56.400 0.048 0.000 0.819 71 E CB -0.347 29.376 29.700 0.039 0.000 0.745 71 E HN 0.703 nan 8.360 nan 0.000 0.477 72 S N -0.155 115.585 115.700 0.066 0.000 2.561 72 S HA 0.032 4.502 4.470 -0.001 0.000 0.225 72 S C 1.744 176.393 174.600 0.082 0.000 0.977 72 S CA 0.300 58.537 58.200 0.062 0.000 0.926 72 S CB 0.036 63.260 63.200 0.039 0.000 0.769 72 S HN 0.168 nan 8.310 nan 0.000 0.533 73 L N 0.824 122.123 121.223 0.126 0.000 2.609 73 L HA 0.378 4.717 4.340 -0.001 0.000 0.230 73 L C 0.695 177.749 176.870 0.308 0.000 1.064 73 L CA -0.043 54.922 54.840 0.208 0.000 0.873 73 L CB 0.703 42.935 42.059 0.289 0.000 1.139 73 L HN 0.356 nan 8.230 nan 0.000 0.490 74 V N -3.055 116.963 119.914 0.172 0.000 3.177 74 V HA 0.386 4.506 4.120 -0.001 0.000 0.319 74 V C 1.070 177.184 176.094 0.033 0.000 1.125 74 V CA -0.324 62.007 62.300 0.050 0.000 1.029 74 V CB 1.634 33.387 31.823 -0.117 0.000 1.119 74 V HN -0.045 nan 8.190 nan 0.000 0.452 75 V N -1.799 118.086 119.914 -0.049 0.000 3.307 75 V HA 0.459 4.579 4.120 -0.001 0.000 0.253 75 V C 1.263 177.254 176.094 -0.171 0.000 1.149 75 V CA 0.792 63.025 62.300 -0.111 0.000 1.112 75 V CB -1.036 30.648 31.823 -0.232 0.000 0.777 75 V HN 1.203 nan 8.190 nan 0.000 0.464 76 G N 0.522 109.231 108.800 -0.153 0.000 2.636 76 G HA2 0.251 4.211 3.960 -0.001 0.000 0.246 76 G HA3 0.251 4.211 3.960 -0.001 0.000 0.246 76 G C -0.725 174.128 174.900 -0.080 0.000 1.216 76 G CA -0.229 44.791 45.100 -0.134 0.000 0.854 76 G HN 0.310 nan 8.290 nan 0.000 0.572 77 D N 1.088 121.450 120.400 -0.063 0.000 2.402 77 D HA 0.086 4.726 4.640 -0.001 0.000 0.235 77 D C 1.316 177.595 176.300 -0.033 0.000 1.226 77 D CA -0.317 53.662 54.000 -0.034 0.000 0.918 77 D CB 0.998 41.784 40.800 -0.024 0.000 1.043 77 D HN 0.038 nan 8.370 nan 0.000 0.506 78 I N 1.331 121.884 120.570 -0.028 0.000 2.584 78 I HA -0.103 4.067 4.170 -0.001 0.000 0.255 78 I C 2.327 178.432 176.117 -0.020 0.000 1.145 78 I CA 0.468 61.750 61.300 -0.030 0.000 1.462 78 I CB -1.045 36.939 38.000 -0.026 0.000 1.102 78 I HN 0.221 nan 8.210 nan 0.000 0.433 79 A N 0.769 123.583 122.820 -0.010 0.000 1.969 79 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 79 A C 2.060 179.638 177.584 -0.010 0.000 1.169 79 A CA 1.341 53.374 52.037 -0.006 0.000 0.635 79 A CB -0.413 18.588 19.000 0.001 0.000 0.810 79 A HN 0.324 nan 8.150 nan 0.000 0.445 80 E N -0.246 119.947 120.200 -0.012 0.000 2.358 80 E HA 0.112 4.461 4.350 -0.001 0.000 0.195 80 E C 0.163 176.751 176.600 -0.019 0.000 1.010 80 E CA -0.053 56.339 56.400 -0.013 0.000 0.856 80 E CB -0.327 29.367 29.700 -0.011 0.000 0.795 80 E HN 0.606 nan 8.360 nan 0.000 0.504 81 L N 2.656 123.864 121.223 -0.026 0.000 2.559 81 L HA -0.004 4.335 4.340 -0.001 0.000 0.274 81 L C 0.816 177.668 176.870 -0.031 0.000 1.205 81 L CA -0.108 54.712 54.840 -0.033 0.000 0.907 81 L CB 0.245 42.279 42.059 -0.042 0.000 1.153 81 L HN 0.009 nan 8.230 nan 0.000 0.490 82 R N 3.702 124.183 120.500 -0.032 0.000 2.774 82 R HA 0.224 4.564 4.340 -0.001 0.000 0.269 82 R C -2.224 174.056 176.300 -0.034 0.000 1.068 82 R CA -1.928 54.154 56.100 -0.029 0.000 1.180 82 R CB -0.391 29.892 30.300 -0.027 0.000 1.077 82 R HN 0.281 nan 8.270 nan 0.000 0.513 83 P HA -0.021 nan 4.420 nan 0.000 0.264 83 P C -0.318 176.956 177.300 -0.042 0.000 1.193 83 P CA 0.491 63.568 63.100 -0.038 0.000 0.763 83 P CB 0.294 31.976 31.700 -0.030 0.000 0.810 84 N N -0.163 118.505 118.700 -0.054 0.000 2.829 84 N HA -0.195 4.544 4.740 -0.001 0.000 0.250 84 N C -0.245 175.236 175.510 -0.050 0.000 1.090 84 N CA 0.914 53.932 53.050 -0.053 0.000 0.781 84 N CB -1.238 37.222 38.487 -0.045 0.000 1.124 84 N HN 0.626 nan 8.380 nan 0.000 0.559 85 Q N -0.144 119.624 119.800 -0.054 0.000 2.282 85 Q HA 0.650 4.990 4.340 -0.001 0.000 0.260 85 Q C 0.299 176.255 176.000 -0.073 0.000 0.964 85 Q CA -0.454 55.310 55.803 -0.065 0.000 0.880 85 Q CB 1.512 30.214 28.738 -0.059 0.000 1.286 85 Q HN 0.316 nan 8.270 nan 0.000 0.445 86 G N 0.405 109.144 108.800 -0.102 0.000 2.714 86 G HA2 0.687 4.647 3.960 -0.001 0.000 0.292 86 G HA3 0.687 4.647 3.960 -0.001 0.000 0.292 86 G C -1.338 173.476 174.900 -0.144 0.000 1.308 86 G CA -0.326 44.709 45.100 -0.109 0.000 0.964 86 G HN 0.485 nan 8.290 nan 0.000 0.484 87 T N -1.054 113.421 114.554 -0.133 0.000 2.886 87 T HA 0.438 4.787 4.350 -0.001 0.000 0.330 87 T C -1.391 173.242 174.700 -0.112 0.000 1.488 87 T CA -0.447 61.584 62.100 -0.115 0.000 1.054 87 T CB 1.467 70.292 68.868 -0.072 0.000 1.348 87 T HN 0.709 nan 8.240 nan 0.000 0.489 88 L N 3.096 124.284 121.223 -0.059 0.000 2.436 88 L HA 0.814 5.154 4.340 -0.001 0.000 0.265 88 L C 0.074 176.841 176.870 -0.172 0.000 1.168 88 L CA 0.847 55.638 54.840 -0.082 0.000 0.815 88 L CB 1.225 43.306 42.059 0.037 0.000 1.109 88 L HN 0.672 nan 8.230 nan 0.000 0.462 89 S N 2.631 118.193 115.700 -0.230 0.000 2.643 89 S HA 0.746 5.216 4.470 -0.001 0.000 0.270 89 S C -1.524 172.895 174.600 -0.301 0.000 1.166 89 S CA -0.752 57.282 58.200 -0.277 0.000 0.815 89 S CB 0.743 63.783 63.200 -0.265 0.000 1.139 89 S HN 0.597 nan 8.310 nan 0.000 0.472 90 L N 1.617 122.675 121.223 -0.274 0.000 2.354 90 L HA 0.626 4.966 4.340 -0.001 0.000 0.264 90 L C -1.170 175.611 176.870 -0.149 0.000 1.008 90 L CA -0.663 54.052 54.840 -0.209 0.000 0.819 90 L CB 1.706 43.692 42.059 -0.121 0.000 1.339 90 L HN 0.613 nan 8.230 nan 0.000 0.420 91 F N 0.963 120.862 119.950 -0.086 0.000 2.405 91 F HA 0.415 4.942 4.527 -0.000 0.000 0.355 91 F C 0.439 176.217 175.800 -0.036 0.000 1.121 91 F CA -0.550 57.409 58.000 -0.068 0.000 1.112 91 F CB 1.925 40.864 39.000 -0.102 0.000 1.126 91 F HN 0.439 nan 8.300 nan 0.000 0.481 92 T N 0.447 115.124 114.554 0.205 0.000 2.887 92 T HA 0.451 4.801 4.350 -0.001 0.000 0.288 92 T C -0.561 174.188 174.700 0.081 0.000 1.021 92 T CA -1.175 61.000 62.100 0.126 0.000 1.000 92 T CB 1.755 70.702 68.868 0.132 0.000 1.034 92 T HN 0.489 nan 8.240 nan 0.000 0.467 93 N N 0.730 119.459 118.700 0.048 0.000 2.447 93 N HA 0.259 4.998 4.740 -0.001 0.000 0.271 93 N C 0.727 176.250 175.510 0.021 0.000 1.226 93 N CA -0.953 52.106 53.050 0.016 0.000 0.980 93 N CB 0.266 38.751 38.487 -0.003 0.000 1.206 93 N HN 0.749 nan 8.380 nan 0.000 0.558 94 E N -0.915 119.287 120.200 0.002 0.000 2.267 94 E HA -0.160 4.190 4.350 -0.001 0.000 0.197 94 E C 1.008 177.608 176.600 -0.000 0.000 0.998 94 E CA 1.339 57.735 56.400 -0.006 0.000 0.830 94 E CB -0.252 29.439 29.700 -0.016 0.000 0.751 94 E HN 0.703 nan 8.360 nan 0.000 0.491 95 A N 0.266 123.093 122.820 0.011 0.000 2.238 95 A HA 0.250 4.570 4.320 -0.001 0.000 0.208 95 A C 1.769 179.376 177.584 0.037 0.000 1.177 95 A CA 0.774 52.823 52.037 0.021 0.000 0.804 95 A CB -0.236 18.780 19.000 0.026 0.000 0.823 95 A HN 0.330 nan 8.150 nan 0.000 0.482 96 G N -1.771 107.057 108.800 0.047 0.000 2.159 96 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.256 96 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.256 96 G C 0.715 175.662 174.900 0.079 0.000 0.977 96 G CA 0.283 45.430 45.100 0.078 0.000 0.652 96 G HN 1.416 nan 8.290 nan 0.000 0.531 97 G N -0.327 108.509 108.800 0.060 0.000 2.483 97 G HA2 0.527 4.487 3.960 -0.001 0.000 0.248 97 G HA3 0.527 4.487 3.960 -0.001 0.000 0.248 97 G C 0.278 175.226 174.900 0.080 0.000 1.248 97 G CA -0.508 44.626 45.100 0.057 0.000 0.838 97 G HN 0.675 nan 8.290 nan 0.000 0.566 98 I N 2.084 122.723 120.570 0.114 0.000 2.337 98 I HA 0.084 4.254 4.170 -0.001 0.000 0.291 98 I C 1.029 177.282 176.117 0.226 0.000 1.046 98 I CA -0.265 61.136 61.300 0.169 0.000 1.324 98 I CB 1.317 39.448 38.000 0.218 0.000 1.409 98 I HN 0.408 nan 8.210 nan 0.000 0.494 99 L N 4.210 125.509 121.223 0.126 0.000 2.375 99 L HA 0.222 4.561 4.340 -0.001 0.000 0.215 99 L C 0.059 176.778 176.870 -0.252 0.000 1.108 99 L CA 0.581 55.447 54.840 0.042 0.000 0.830 99 L CB -0.167 41.876 42.059 -0.026 0.000 0.959 99 L HN 0.678 nan 8.230 nan 0.000 0.457 100 D N -1.102 119.104 120.400 -0.323 0.000 2.951 100 D HA 0.087 4.727 4.640 -0.001 0.000 0.262 100 D C -1.980 174.151 176.300 -0.282 0.000 1.110 100 D CA -0.600 52.968 54.000 -0.720 0.000 0.724 100 D CB 1.111 41.689 40.800 -0.371 0.000 1.516 100 D HN 0.028 nan 8.370 nan 0.000 0.447 101 D N 1.636 121.875 120.400 -0.268 0.000 2.268 101 D HA 0.747 5.387 4.640 -0.001 0.000 0.249 101 D C 0.029 176.193 176.300 -0.226 0.000 1.008 101 D CA -0.523 53.369 54.000 -0.179 0.000 0.939 101 D CB 1.507 42.281 40.800 -0.044 0.000 1.170 101 D HN 0.594 nan 8.370 nan 0.000 0.468 102 L N -3.395 117.667 121.223 -0.268 0.000 2.892 102 L HA 0.624 4.963 4.340 -0.001 0.000 0.269 102 L C -1.350 175.374 176.870 -0.243 0.000 1.058 102 L CA -1.300 53.376 54.840 -0.273 0.000 0.923 102 L CB 1.635 43.467 42.059 -0.378 0.000 1.518 102 L HN 0.318 nan 8.230 nan 0.000 0.402 103 I N 1.727 122.156 120.570 -0.234 0.000 2.389 103 I HA 0.553 4.723 4.170 -0.001 0.000 0.288 103 I C -0.935 175.042 176.117 -0.233 0.000 0.999 103 I CA -0.973 60.205 61.300 -0.203 0.000 1.129 103 I CB 2.038 39.939 38.000 -0.165 0.000 1.288 103 I HN 0.301 nan 8.210 nan 0.000 0.444 104 V N 4.973 124.771 119.914 -0.193 0.000 2.409 104 V HA 0.432 4.551 4.120 -0.001 0.000 0.291 104 V C 0.033 176.067 176.094 -0.100 0.000 1.020 104 V CA -0.404 61.798 62.300 -0.164 0.000 0.848 104 V CB 1.717 33.447 31.823 -0.155 0.000 0.990 104 V HN 0.706 nan 8.190 nan 0.000 0.430 105 T N 3.418 117.946 114.554 -0.043 0.000 2.807 105 T HA 0.290 4.639 4.350 -0.001 0.000 0.279 105 T C 0.046 174.738 174.700 -0.013 0.000 0.993 105 T CA -0.409 61.694 62.100 0.004 0.000 0.970 105 T CB 1.082 70.022 68.868 0.119 0.000 0.950 105 T HN 0.707 nan 8.240 nan 0.000 0.441 106 N N 3.045 121.718 118.700 -0.045 0.000 2.868 106 N HA 0.142 4.882 4.740 -0.001 0.000 0.252 106 N C 0.423 175.874 175.510 -0.097 0.000 1.130 106 N CA -0.475 52.536 53.050 -0.065 0.000 1.026 106 N CB 0.148 38.604 38.487 -0.051 0.000 1.335 106 N HN 0.674 nan 8.380 nan 0.000 0.516 107 T N -0.404 114.047 114.554 -0.172 0.000 2.855 107 T HA 0.034 4.384 4.350 -0.001 0.000 0.314 107 T C 1.319 175.913 174.700 -0.176 0.000 1.077 107 T CA -0.055 61.910 62.100 -0.225 0.000 1.095 107 T CB 0.671 69.262 68.868 -0.462 0.000 0.987 107 T HN 0.420 nan 8.240 nan 0.000 0.546 108 S N -0.339 115.291 115.700 -0.116 0.000 2.603 108 S HA 0.088 4.558 4.470 -0.001 0.000 0.220 108 S C 0.715 175.292 174.600 -0.038 0.000 0.967 108 S CA -0.219 57.943 58.200 -0.063 0.000 0.920 108 S CB -0.336 62.840 63.200 -0.040 0.000 0.773 108 S HN 0.784 nan 8.310 nan 0.000 0.529 109 E N 1.418 121.585 120.200 -0.055 0.000 2.394 109 E HA 0.397 4.747 4.350 -0.001 0.000 0.191 109 E C 1.089 177.785 176.600 0.160 0.000 1.044 109 E CA 0.226 56.672 56.400 0.076 0.000 0.939 109 E CB -0.241 29.592 29.700 0.222 0.000 1.089 109 E HN 0.536 nan 8.360 nan 0.000 0.456 110 G N 2.169 110.998 108.800 0.049 0.000 2.198 110 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.260 110 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.260 110 G C -0.043 174.945 174.900 0.146 0.000 1.025 110 G CA 0.735 45.882 45.100 0.078 0.000 0.769 110 G HN 0.543 nan 8.290 nan 0.000 0.507 111 H N -2.394 116.691 119.070 0.025 0.000 3.012 111 H HA 0.619 5.175 4.556 -0.001 0.000 0.367 111 H C -0.798 174.563 175.328 0.054 0.000 1.211 111 H CA -1.430 54.641 56.048 0.039 0.000 1.139 111 H CB 0.923 30.712 29.762 0.046 0.000 1.838 111 H HN 0.125 nan 8.280 nan 0.000 0.550 112 L N 2.307 123.590 121.223 0.100 0.000 2.326 112 L HA 0.168 4.508 4.340 -0.001 0.000 0.278 112 L C -0.718 176.255 176.870 0.172 0.000 1.092 112 L CA -0.911 53.960 54.840 0.051 0.000 0.810 112 L CB 0.582 42.665 42.059 0.041 0.000 1.153 112 L HN 0.529 nan 8.230 nan 0.000 0.439 113 Y N 3.998 124.289 120.300 -0.015 0.000 2.385 113 Y HA 0.489 5.039 4.550 -0.001 0.000 0.341 113 Y C -0.685 175.214 175.900 -0.000 0.000 0.965 113 Y CA -0.796 57.328 58.100 0.040 0.000 1.180 113 Y CB 1.036 39.500 38.460 0.006 0.000 1.139 113 Y HN 0.194 nan 8.280 nan 0.000 0.502 114 V N 6.988 126.688 119.914 -0.356 0.000 2.513 114 V HA 0.572 4.691 4.120 -0.001 0.000 0.299 114 V C -0.817 174.994 176.094 -0.471 0.000 1.035 114 V CA -0.931 61.146 62.300 -0.373 0.000 0.889 114 V CB 1.717 33.452 31.823 -0.147 0.000 0.988 114 V HN 0.531 nan 8.190 nan 0.000 0.440 115 V N 3.601 123.266 119.914 -0.415 0.000 2.482 115 V HA 0.569 4.689 4.120 -0.001 0.000 0.295 115 V C -0.144 175.824 176.094 -0.211 0.000 1.026 115 V CA -0.249 61.862 62.300 -0.316 0.000 0.856 115 V CB 1.778 33.398 31.823 -0.340 0.000 1.001 115 V HN 0.939 nan 8.190 nan 0.000 0.424 116 S N 3.194 118.815 115.700 -0.132 0.000 2.689 116 S HA 0.526 4.996 4.470 -0.001 0.000 0.306 116 S C -0.288 174.265 174.600 -0.078 0.000 1.104 116 S CA -0.979 57.168 58.200 -0.088 0.000 0.973 116 S CB 1.255 64.464 63.200 0.015 0.000 1.121 116 S HN 0.711 nan 8.310 nan 0.000 0.523 117 N N 1.038 119.702 118.700 -0.060 0.000 2.454 117 N HA 0.140 4.879 4.740 -0.001 0.000 0.254 117 N C 1.117 176.668 175.510 0.068 0.000 1.228 117 N CA 0.134 53.170 53.050 -0.023 0.000 0.900 117 N CB 0.886 39.388 38.487 0.025 0.000 1.089 117 N HN 0.738 nan 8.380 nan 0.000 0.449 118 A N 2.735 125.592 122.820 0.062 0.000 1.902 118 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 118 A C 1.951 179.775 177.584 0.400 0.000 1.181 118 A CA 1.905 54.067 52.037 0.209 0.000 0.623 118 A CB -0.928 18.174 19.000 0.170 0.000 0.818 118 A HN 0.730 nan 8.150 nan 0.000 0.443 119 G N -2.059 106.905 108.800 0.274 0.000 2.625 119 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.214 119 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.214 119 G C 0.843 175.857 174.900 0.190 0.000 1.132 119 G CA 1.240 46.479 45.100 0.230 0.000 0.782 119 G HN 0.531 nan 8.290 nan 0.000 0.538 120 C N 0.489 119.896 119.300 0.179 0.000 3.255 120 C HA 0.242 4.702 4.460 -0.001 0.000 0.282 120 C C 2.039 177.063 174.990 0.056 0.000 1.441 120 C CA -1.223 57.834 59.018 0.064 0.000 1.785 120 C CB -1.270 26.463 27.740 -0.012 0.000 2.583 120 C HN 0.764 nan 8.230 nan 0.000 0.615 121 W N 2.158 123.494 121.300 0.060 0.000 2.374 121 W HA -0.090 4.570 4.660 -0.001 0.000 0.288 121 W C 1.089 177.629 176.519 0.037 0.000 1.218 121 W CA 1.383 58.763 57.345 0.058 0.000 1.245 121 W CB -0.827 28.698 29.460 0.108 0.000 1.126 121 W HN 0.336 nan 8.180 nan 0.000 0.545 122 E N 1.301 120.874 120.200 -1.045 0.000 2.028 122 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 122 E C 2.205 178.544 176.600 -0.435 0.000 0.988 122 E CA 1.985 57.784 56.400 -1.000 0.000 0.799 122 E CB -0.578 28.588 29.700 -0.891 0.000 0.755 122 E HN 0.181 nan 8.360 nan 0.000 0.447 123 K N 0.842 121.062 120.400 -0.300 0.000 1.978 123 K HA -0.230 4.090 4.320 -0.001 0.000 0.214 123 K C 1.488 177.971 176.600 -0.194 0.000 1.049 123 K CA 1.974 58.140 56.287 -0.203 0.000 0.939 123 K CB -0.183 32.229 32.500 -0.146 0.000 0.721 123 K HN 0.030 nan 8.250 nan 0.000 0.441 124 D N 1.075 121.385 120.400 -0.149 0.000 2.104 124 D HA -0.197 4.442 4.640 -0.001 0.000 0.194 124 D C 2.015 178.252 176.300 -0.105 0.000 0.994 124 D CA 0.918 54.829 54.000 -0.148 0.000 0.830 124 D CB -0.407 40.424 40.800 0.052 0.000 0.959 124 D HN 0.166 nan 8.370 nan 0.000 0.452 125 L N 1.092 122.303 121.223 -0.019 0.000 2.042 125 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 125 L C 2.222 179.068 176.870 -0.041 0.000 1.076 125 L CA 1.835 56.691 54.840 0.027 0.000 0.749 125 L CB -0.839 41.298 42.059 0.130 0.000 0.893 125 L HN -0.006 nan 8.230 nan 0.000 0.432 126 A N -0.973 121.787 122.820 -0.100 0.000 1.902 126 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 126 A C 2.244 179.756 177.584 -0.120 0.000 1.181 126 A CA 1.818 53.792 52.037 -0.106 0.000 0.623 126 A CB -0.981 17.939 19.000 -0.134 0.000 0.818 126 A HN 0.464 nan 8.150 nan 0.000 0.443 127 L N -0.537 120.578 121.223 -0.180 0.000 2.012 127 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 127 L C 2.556 179.312 176.870 -0.190 0.000 1.073 127 L CA 2.370 57.066 54.840 -0.239 0.000 0.748 127 L CB -0.412 41.384 42.059 -0.439 0.000 0.891 127 L HN 0.457 nan 8.230 nan 0.000 0.431 128 M N -1.743 117.765 119.600 -0.153 0.000 2.156 128 M HA -0.164 4.315 4.480 -0.001 0.000 0.264 128 M C 2.299 178.582 176.300 -0.029 0.000 1.067 128 M CA 1.470 56.733 55.300 -0.061 0.000 1.131 128 M CB -0.350 32.257 32.600 0.012 0.000 1.368 128 M HN 0.282 nan 8.290 nan 0.000 0.416 129 Q N 1.274 121.058 119.800 -0.026 0.000 2.061 129 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 129 Q C 1.304 177.291 176.000 -0.021 0.000 0.984 129 Q CA 2.068 57.864 55.803 -0.011 0.000 0.846 129 Q CB -0.280 28.454 28.738 -0.006 0.000 0.902 129 Q HN 0.382 nan 8.270 nan 0.000 0.421 130 D N -0.487 119.888 120.400 -0.041 0.000 2.149 130 D HA -0.142 4.497 4.640 -0.001 0.000 0.198 130 D C 1.609 177.888 176.300 -0.034 0.000 0.990 130 D CA 1.177 55.153 54.000 -0.041 0.000 0.839 130 D CB -0.112 40.653 40.800 -0.059 0.000 0.948 130 D HN 0.111 nan 8.370 nan 0.000 0.460 131 K N 0.335 120.713 120.400 -0.037 0.000 2.057 131 K HA -0.031 4.289 4.320 -0.001 0.000 0.206 131 K C 1.910 178.505 176.600 -0.007 0.000 1.050 131 K CA 0.461 56.734 56.287 -0.023 0.000 0.935 131 K CB -0.435 32.052 32.500 -0.021 0.000 0.715 131 K HN -0.042 nan 8.250 nan 0.000 0.439 132 V N 1.205 121.118 119.914 -0.002 0.000 2.332 132 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 132 V C 2.538 178.634 176.094 0.003 0.000 1.055 132 V CA 2.213 64.517 62.300 0.007 0.000 1.038 132 V CB -0.556 31.275 31.823 0.013 0.000 0.651 132 V HN 0.391 nan 8.190 nan 0.000 0.450 133 R N 0.254 120.753 120.500 -0.003 0.000 2.080 133 R HA -0.254 4.085 4.340 -0.001 0.000 0.236 133 R C 2.413 178.710 176.300 -0.004 0.000 1.137 133 R CA 2.334 58.431 56.100 -0.004 0.000 0.943 133 R CB -0.394 29.901 30.300 -0.009 0.000 0.846 133 R HN 0.666 nan 8.270 nan 0.000 0.431 134 E N 0.282 120.477 120.200 -0.008 0.000 2.118 134 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 134 E C 2.121 178.719 176.600 -0.003 0.000 0.992 134 E CA 1.220 57.616 56.400 -0.008 0.000 0.804 134 E CB -0.045 29.648 29.700 -0.012 0.000 0.741 134 E HN 0.430 nan 8.360 nan 0.000 0.458 135 L N 0.261 121.485 121.223 0.000 0.000 2.109 135 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 135 L C 2.585 179.458 176.870 0.005 0.000 1.086 135 L CA 0.990 55.832 54.840 0.004 0.000 0.760 135 L CB -0.184 41.880 42.059 0.009 0.000 0.910 135 L HN 0.220 nan 8.230 nan 0.000 0.437 136 Q N -0.591 119.212 119.800 0.005 0.000 2.167 136 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 136 Q C 1.534 177.536 176.000 0.003 0.000 0.970 136 Q CA 0.976 56.782 55.803 0.006 0.000 0.855 136 Q CB -0.161 28.581 28.738 0.006 0.000 0.911 136 Q HN 0.358 nan 8.270 nan 0.000 0.438 137 N N 0.683 119.383 118.700 0.001 0.000 2.575 137 N HA -0.087 4.653 4.740 -0.001 0.000 0.192 137 N C 0.126 175.637 175.510 0.000 0.000 1.200 137 N CA 0.612 53.662 53.050 0.000 0.000 0.897 137 N CB 0.315 38.800 38.487 -0.002 0.000 0.990 137 N HN 0.339 nan 8.380 nan 0.000 0.449 138 Q N -1.339 118.462 119.800 0.002 0.000 2.141 138 Q HA 0.236 4.576 4.340 -0.001 0.000 0.248 138 Q C 0.536 176.538 176.000 0.004 0.000 0.834 138 Q CA -0.050 55.754 55.803 0.002 0.000 1.096 138 Q CB 0.628 29.367 28.738 0.002 0.000 1.189 138 Q HN 0.261 nan 8.270 nan 0.000 0.471 139 G N 1.740 110.542 108.800 0.004 0.000 2.186 139 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.266 139 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.266 139 G C 0.257 175.161 174.900 0.007 0.000 0.982 139 G CA 0.227 45.330 45.100 0.005 0.000 0.670 139 G HN 0.164 nan 8.290 nan 0.000 0.533 140 R N 0.507 121.012 120.500 0.008 0.000 2.539 140 R HA 0.363 4.703 4.340 -0.001 0.000 0.275 140 R C -0.480 175.827 176.300 0.012 0.000 1.077 140 R CA -0.545 55.561 56.100 0.010 0.000 1.097 140 R CB 0.588 30.895 30.300 0.011 0.000 1.018 140 R HN 0.282 nan 8.270 nan 0.000 0.483 141 D N 1.648 122.056 120.400 0.014 0.000 2.380 141 D HA 0.304 4.944 4.640 -0.001 0.000 0.230 141 D C -1.209 175.103 176.300 0.020 0.000 1.154 141 D CA -0.259 53.751 54.000 0.016 0.000 0.859 141 D CB 0.577 41.387 40.800 0.016 0.000 1.045 141 D HN 0.145 nan 8.370 nan 0.000 0.495 142 V N 2.744 122.671 119.914 0.021 0.000 3.098 142 V HA 0.865 4.985 4.120 -0.001 0.000 0.294 142 V C -0.703 175.407 176.094 0.025 0.000 1.351 142 V CA -0.017 62.299 62.300 0.026 0.000 0.999 142 V CB 1.787 33.626 31.823 0.026 0.000 1.104 142 V HN 0.634 nan 8.190 nan 0.000 0.438 143 G N 3.699 112.517 108.800 0.031 0.000 2.704 143 G HA2 0.678 4.638 3.960 -0.001 0.000 0.293 143 G HA3 0.678 4.638 3.960 -0.001 0.000 0.293 143 G C -2.299 172.623 174.900 0.037 0.000 1.421 143 G CA -0.609 44.509 45.100 0.029 0.000 0.870 143 G HN 1.140 nan 8.290 nan 0.000 0.492 144 L N -0.139 121.105 121.223 0.035 0.000 2.333 144 L HA 0.962 5.301 4.340 -0.001 0.000 0.269 144 L C -0.406 176.488 176.870 0.040 0.000 1.010 144 L CA -0.852 54.014 54.840 0.044 0.000 0.818 144 L CB 2.127 44.214 42.059 0.046 0.000 1.306 144 L HN 0.727 nan 8.230 nan 0.000 0.430 145 E N 2.643 122.870 120.200 0.046 0.000 2.343 145 E HA 0.460 4.810 4.350 -0.001 0.000 0.286 145 E C -1.990 174.641 176.600 0.051 0.000 0.915 145 E CA -0.695 55.727 56.400 0.038 0.000 0.784 145 E CB 1.923 31.630 29.700 0.012 0.000 1.251 145 E HN 0.478 nan 8.360 nan 0.000 0.407 146 V N 5.292 125.239 119.914 0.055 0.000 2.465 146 V HA 0.286 4.406 4.120 -0.001 0.000 0.279 146 V C 0.478 176.601 176.094 0.050 0.000 1.045 146 V CA -0.516 61.822 62.300 0.062 0.000 0.938 146 V CB 0.978 32.842 31.823 0.070 0.000 0.986 146 V HN 0.666 nan 8.190 nan 0.000 0.467 147 L N 3.761 125.021 121.223 0.062 0.000 2.395 147 L HA 0.329 4.668 4.340 -0.001 0.000 0.269 147 L C 0.955 177.852 176.870 0.045 0.000 1.133 147 L CA -0.348 54.527 54.840 0.058 0.000 0.812 147 L CB 0.709 42.827 42.059 0.098 0.000 1.125 147 L HN 0.649 nan 8.230 nan 0.000 0.452 148 D N 0.261 120.682 120.400 0.035 0.000 2.305 148 D HA 0.002 4.642 4.640 -0.001 0.000 0.206 148 D C 0.424 176.747 176.300 0.037 0.000 0.974 148 D CA 0.270 54.289 54.000 0.032 0.000 0.871 148 D CB 0.117 40.932 40.800 0.025 0.000 0.947 148 D HN 0.543 nan 8.370 nan 0.000 0.516 149 N N 1.019 119.743 118.700 0.039 0.000 2.283 149 N HA 0.115 4.854 4.740 -0.001 0.000 0.236 149 N C 0.181 175.715 175.510 0.040 0.000 1.252 149 N CA 0.113 53.186 53.050 0.039 0.000 0.856 149 N CB 0.789 39.303 38.487 0.044 0.000 1.099 149 N HN 0.033 nan 8.380 nan 0.000 0.444 150 A N 1.023 123.863 122.820 0.033 0.000 2.242 150 A HA 0.624 4.944 4.320 -0.001 0.000 0.304 150 A C -0.645 176.958 177.584 0.032 0.000 1.100 150 A CA -0.339 51.715 52.037 0.029 0.000 0.860 150 A CB 0.748 19.761 19.000 0.021 0.000 1.168 150 A HN 0.501 nan 8.150 nan 0.000 0.503 151 L N 0.122 121.363 121.223 0.031 0.000 2.482 151 L HA 0.577 4.916 4.340 -0.001 0.000 0.269 151 L C -1.334 175.569 176.870 0.056 0.000 0.967 151 L CA 0.040 54.905 54.840 0.042 0.000 0.851 151 L CB 1.314 43.387 42.059 0.023 0.000 1.242 151 L HN 0.613 nan 8.230 nan 0.000 0.404 152 L N 4.140 125.400 121.223 0.062 0.000 2.334 152 L HA 0.956 5.295 4.340 -0.001 0.000 0.273 152 L C -0.207 176.730 176.870 0.112 0.000 1.013 152 L CA -0.879 54.012 54.840 0.084 0.000 0.816 152 L CB 1.947 44.031 42.059 0.041 0.000 1.278 152 L HN 0.728 nan 8.230 nan 0.000 0.431 153 A N 3.044 125.969 122.820 0.175 0.000 2.335 153 A HA 0.699 5.019 4.320 -0.001 0.000 0.304 153 A C -1.346 176.404 177.584 0.276 0.000 1.118 153 A CA -0.397 51.760 52.037 0.198 0.000 0.757 153 A CB 1.404 20.506 19.000 0.170 0.000 1.188 153 A HN 0.517 nan 8.150 nan 0.000 0.460 154 L N 2.716 124.062 121.223 0.205 0.000 2.294 154 L HA 0.519 4.859 4.340 -0.001 0.000 0.283 154 L C -0.696 176.294 176.870 0.200 0.000 1.015 154 L CA 0.175 55.131 54.840 0.194 0.000 0.831 154 L CB 1.285 43.421 42.059 0.128 0.000 1.217 154 L HN 0.692 nan 8.230 nan 0.000 0.420 155 Q N 4.032 123.986 119.800 0.257 0.000 2.356 155 Q HA 0.878 5.217 4.340 -0.001 0.000 0.270 155 Q C -0.312 175.780 176.000 0.153 0.000 1.058 155 Q CA -0.537 55.392 55.803 0.210 0.000 0.802 155 Q CB 2.440 31.324 28.738 0.243 0.000 1.303 155 Q HN 0.908 nan 8.270 nan 0.000 0.444 156 G N 1.932 110.784 108.800 0.087 0.000 2.347 156 G HA2 0.028 3.988 3.960 -0.001 0.000 0.321 156 G HA3 0.028 3.988 3.960 -0.001 0.000 0.321 156 G C -2.568 172.331 174.900 -0.001 0.000 1.412 156 G CA -0.731 44.383 45.100 0.025 0.000 0.990 156 G HN 0.293 nan 8.290 nan 0.000 0.637 157 P HA -0.068 nan 4.420 nan 0.000 0.220 157 P C 1.486 178.764 177.300 -0.037 0.000 1.148 157 P CA 2.358 65.427 63.100 -0.051 0.000 0.803 157 P CB 0.015 31.664 31.700 -0.086 0.000 0.782 158 T N -4.975 109.569 114.554 -0.016 0.000 3.105 158 T HA 0.491 4.840 4.350 -0.001 0.000 0.253 158 T C 1.771 176.486 174.700 0.025 0.000 1.047 158 T CA 0.335 62.440 62.100 0.008 0.000 0.944 158 T CB -0.373 68.522 68.868 0.044 0.000 1.016 158 T HN -0.051 nan 8.240 nan 0.000 0.544 159 A N 2.032 124.871 122.820 0.032 0.000 1.883 159 A HA 0.242 4.561 4.320 -0.001 0.000 0.217 159 A C 2.771 180.381 177.584 0.044 0.000 1.186 159 A CA 1.849 53.918 52.037 0.055 0.000 0.624 159 A CB -1.487 17.559 19.000 0.076 0.000 0.822 159 A HN 0.765 nan 8.150 nan 0.000 0.444 160 A N -0.425 122.403 122.820 0.013 0.000 1.873 160 A HA -0.300 4.019 4.320 -0.001 0.000 0.218 160 A C 2.280 179.857 177.584 -0.012 0.000 1.193 160 A CA 2.216 54.244 52.037 -0.014 0.000 0.629 160 A CB -0.825 18.126 19.000 -0.082 0.000 0.826 160 A HN 0.743 nan 8.150 nan 0.000 0.447 161 Q N -0.146 119.645 119.800 -0.016 0.000 2.030 161 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 161 Q C 1.964 177.979 176.000 0.025 0.000 0.986 161 Q CA 2.609 58.408 55.803 -0.007 0.000 0.843 161 Q CB -0.458 28.278 28.738 -0.004 0.000 0.904 161 Q HN 0.348 nan 8.270 nan 0.000 0.420 162 V N 1.235 121.179 119.914 0.050 0.000 2.324 162 V HA -0.277 3.843 4.120 -0.001 0.000 0.250 162 V C 2.425 178.613 176.094 0.157 0.000 1.060 162 V CA 1.803 64.160 62.300 0.094 0.000 1.042 162 V CB -0.653 31.223 31.823 0.087 0.000 0.650 162 V HN 0.444 nan 8.190 nan 0.000 0.450 163 L N -0.268 121.027 121.223 0.120 0.000 2.179 163 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 163 L C 2.346 179.200 176.870 -0.028 0.000 1.096 163 L CA 1.748 56.663 54.840 0.126 0.000 0.779 163 L CB -0.738 41.380 42.059 0.097 0.000 0.922 163 L HN 0.327 nan 8.230 nan 0.000 0.443 164 Q N 0.227 120.007 119.800 -0.032 0.000 2.197 164 Q HA -0.160 4.179 4.340 -0.001 0.000 0.207 164 Q C 2.076 177.994 176.000 -0.136 0.000 0.984 164 Q CA 1.907 57.663 55.803 -0.077 0.000 0.869 164 Q CB -0.441 28.267 28.738 -0.050 0.000 0.906 164 Q HN 0.579 nan 8.270 nan 0.000 0.426 165 A N -1.005 121.743 122.820 -0.119 0.000 2.121 165 A HA 0.079 4.399 4.320 -0.001 0.000 0.218 165 A C 1.875 179.202 177.584 -0.428 0.000 1.154 165 A CA 1.240 53.188 52.037 -0.149 0.000 0.679 165 A CB -0.557 18.447 19.000 0.006 0.000 0.795 165 A HN 0.463 nan 8.150 nan 0.000 0.458 166 G N -0.851 107.428 108.800 -0.869 0.000 3.277 166 G HA2 0.411 4.371 3.960 -0.001 0.000 0.243 166 G HA3 0.411 4.371 3.960 -0.001 0.000 0.243 166 G C 0.164 174.656 174.900 -0.680 0.000 1.107 166 G CA 0.753 44.942 45.100 -1.518 0.000 0.771 166 G HN 0.996 nan 8.290 nan 0.000 0.544 167 V N -3.555 116.130 119.914 -0.382 0.000 2.841 167 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 167 V C 0.755 176.768 176.094 -0.136 0.000 1.090 167 V CA -0.316 61.860 62.300 -0.207 0.000 0.930 167 V CB 1.256 32.994 31.823 -0.142 0.000 1.014 167 V HN 0.111 nan 8.190 nan 0.000 0.425 168 A N 1.865 124.629 122.820 -0.094 0.000 1.897 168 A HA 0.082 4.401 4.320 -0.001 0.000 0.215 168 A C 0.885 178.440 177.584 -0.048 0.000 1.181 168 A CA 1.072 53.070 52.037 -0.064 0.000 0.620 168 A CB -0.643 18.329 19.000 -0.047 0.000 0.821 168 A HN 0.955 nan 8.150 nan 0.000 0.443 169 D N 1.317 121.692 120.400 -0.043 0.000 2.423 169 D HA 0.058 4.698 4.640 -0.001 0.000 0.238 169 D C -0.629 175.656 176.300 -0.024 0.000 1.142 169 D CA 0.209 54.193 54.000 -0.026 0.000 0.884 169 D CB 0.486 41.275 40.800 -0.020 0.000 1.199 169 D HN 0.258 nan 8.370 nan 0.000 0.438 170 D N 1.726 122.120 120.400 -0.010 0.000 2.325 170 D HA 0.050 4.690 4.640 -0.001 0.000 0.251 170 D C 1.149 177.456 176.300 0.011 0.000 1.196 170 D CA -0.291 53.707 54.000 -0.004 0.000 0.866 170 D CB 0.900 41.703 40.800 0.006 0.000 1.101 170 D HN 0.286 nan 8.370 nan 0.000 0.476 171 L N 3.715 124.937 121.223 -0.001 0.000 2.456 171 L HA -0.046 4.293 4.340 -0.001 0.000 0.224 171 L C 2.366 179.272 176.870 0.060 0.000 1.148 171 L CA 0.454 55.305 54.840 0.018 0.000 0.825 171 L CB -0.101 41.950 42.059 -0.014 0.000 0.937 171 L HN 0.247 nan 8.230 nan 0.000 0.450 172 R N 0.294 120.823 120.500 0.049 0.000 2.237 172 R HA -0.101 4.239 4.340 -0.001 0.000 0.219 172 R C 1.596 178.053 176.300 0.262 0.000 1.080 172 R CA 0.751 56.943 56.100 0.153 0.000 0.995 172 R CB -0.074 30.285 30.300 0.098 0.000 0.875 172 R HN 0.338 nan 8.270 nan 0.000 0.462 173 K N 0.348 120.835 120.400 0.145 0.000 2.404 173 K HA 0.048 4.367 4.320 -0.001 0.000 0.194 173 K C -0.092 176.570 176.600 0.103 0.000 1.023 173 K CA 0.076 56.425 56.287 0.103 0.000 1.094 173 K CB 0.405 32.938 32.500 0.055 0.000 0.841 173 K HN -0.050 nan 8.250 nan 0.000 0.523 174 L N 2.002 123.320 121.223 0.157 0.000 2.506 174 L HA 0.325 4.664 4.340 -0.001 0.000 0.247 174 L C -2.783 174.214 176.870 0.212 0.000 1.141 174 L CA -2.428 52.493 54.840 0.135 0.000 0.973 174 L CB 0.594 42.717 42.059 0.107 0.000 1.319 174 L HN -0.180 nan 8.230 nan 0.000 0.455 175 P HA 0.002 nan 4.420 nan 0.000 0.271 175 P C -0.521 176.862 177.300 0.139 0.000 1.244 175 P CA -0.279 62.846 63.100 0.042 0.000 0.793 175 P CB 0.310 31.957 31.700 -0.087 0.000 0.984 176 F N 2.671 122.603 119.950 -0.030 0.000 2.629 176 F HA -0.026 4.501 4.527 -0.001 0.000 0.377 176 F C 1.044 176.809 175.800 -0.058 0.000 1.101 176 F CA 0.527 58.511 58.000 -0.027 0.000 1.301 176 F CB -0.387 38.579 39.000 -0.058 0.000 1.062 176 F HN 0.249 nan 8.300 nan 0.000 0.583 177 M N 2.993 122.252 119.600 -0.569 0.000 2.818 177 M HA -0.211 4.269 4.480 -0.001 0.000 0.204 177 M C 0.035 176.200 176.300 -0.224 0.000 0.552 177 M CA 1.306 56.283 55.300 -0.537 0.000 0.687 177 M CB -3.143 29.019 32.600 -0.730 0.000 2.512 177 M HN 0.751 nan 8.290 nan 0.000 0.563 178 T N -2.081 112.408 114.554 -0.108 0.000 2.916 178 T HA 0.888 5.237 4.350 -0.001 0.000 0.292 178 T C 0.205 174.892 174.700 -0.021 0.000 1.055 178 T CA 0.070 62.137 62.100 -0.055 0.000 1.009 178 T CB 3.176 72.027 68.868 -0.028 0.000 1.118 178 T HN 0.505 nan 8.240 nan 0.000 0.497 179 S N 0.117 115.804 115.700 -0.022 0.000 2.651 179 S HA 0.951 5.421 4.470 -0.001 0.000 0.279 179 S C -1.005 173.577 174.600 -0.031 0.000 1.148 179 S CA -0.642 57.547 58.200 -0.018 0.000 0.837 179 S CB 1.455 64.641 63.200 -0.024 0.000 1.138 179 S HN 1.868 nan 8.310 nan 0.000 0.478 180 A N 0.340 123.139 122.820 -0.036 0.000 2.606 180 A HA 0.718 5.037 4.320 -0.001 0.000 0.293 180 A C -1.410 176.146 177.584 -0.047 0.000 1.082 180 A CA -0.725 51.290 52.037 -0.037 0.000 0.685 180 A CB 1.366 20.355 19.000 -0.019 0.000 1.284 180 A HN 1.205 nan 8.150 nan 0.000 0.408 181 V N 2.787 122.675 119.914 -0.043 0.000 2.348 181 V HA 0.592 4.711 4.120 -0.001 0.000 0.270 181 V C 0.210 176.289 176.094 -0.026 0.000 1.037 181 V CA 0.260 62.536 62.300 -0.040 0.000 0.872 181 V CB 0.139 31.943 31.823 -0.031 0.000 1.002 181 V HN 0.939 nan 8.190 nan 0.000 0.464 182 M N 2.295 121.881 119.600 -0.024 0.000 2.664 182 M HA 0.671 5.150 4.480 -0.001 0.000 0.279 182 M C -0.681 175.611 176.300 -0.014 0.000 1.275 182 M CA -0.837 54.451 55.300 -0.020 0.000 0.829 182 M CB 2.493 35.078 32.600 -0.025 0.000 1.727 182 M HN 0.422 nan 8.290 nan 0.000 0.459 183 E N 1.834 122.024 120.200 -0.017 0.000 2.052 183 E HA 0.437 4.787 4.350 -0.001 0.000 0.283 183 E C -1.536 175.052 176.600 -0.020 0.000 1.071 183 E CA -0.521 55.875 56.400 -0.006 0.000 0.851 183 E CB 0.978 30.675 29.700 -0.006 0.000 1.066 183 E HN 0.555 nan 8.360 nan 0.000 0.396 184 V N 6.061 125.986 119.914 0.018 0.000 2.407 184 V HA 0.154 4.274 4.120 -0.001 0.000 0.278 184 V C 0.100 176.281 176.094 0.145 0.000 1.037 184 V CA -0.507 61.814 62.300 0.035 0.000 0.900 184 V CB 0.075 31.967 31.823 0.114 0.000 0.983 184 V HN 0.803 nan 8.190 nan 0.000 0.459 185 F N 4.486 124.426 119.950 -0.016 0.000 2.729 185 F HA -0.203 4.324 4.527 -0.001 0.000 0.208 185 F C 1.649 177.486 175.800 0.062 0.000 1.040 185 F CA 1.291 59.279 58.000 -0.020 0.000 0.844 185 F CB -1.388 37.537 39.000 -0.125 0.000 0.704 185 F HN 0.978 nan 8.300 nan 0.000 0.849 186 G N -1.891 107.015 108.800 0.177 0.000 2.320 186 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.242 186 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.242 186 G C 0.103 175.090 174.900 0.146 0.000 1.033 186 G CA -0.164 45.042 45.100 0.177 0.000 0.620 186 G HN 0.656 nan 8.290 nan 0.000 0.517 187 V N 2.499 122.517 119.914 0.172 0.000 2.488 187 V HA 0.572 4.692 4.120 -0.001 0.000 0.277 187 V C 0.726 176.861 176.094 0.068 0.000 1.046 187 V CA 0.281 62.654 62.300 0.120 0.000 0.986 187 V CB 1.408 33.310 31.823 0.132 0.000 0.989 187 V HN 0.429 nan 8.190 nan 0.000 0.475 188 S N 2.862 118.588 115.700 0.044 0.000 2.687 188 S HA 0.684 5.154 4.470 -0.001 0.000 0.283 188 S C 1.194 175.803 174.600 0.016 0.000 1.170 188 S CA 0.259 58.473 58.200 0.023 0.000 1.008 188 S CB 1.439 64.649 63.200 0.016 0.000 1.026 188 S HN 1.485 nan 8.310 nan 0.000 0.541 189 G N -0.287 108.516 108.800 0.004 0.000 2.179 189 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.260 189 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.260 189 G C 0.237 175.128 174.900 -0.014 0.000 0.977 189 G CA -0.023 45.074 45.100 -0.005 0.000 0.641 189 G HN 0.794 nan 8.290 nan 0.000 0.533 190 C N 0.819 120.115 119.300 -0.007 0.000 2.637 190 C HA 0.609 5.068 4.460 -0.001 0.000 0.418 190 C C 1.063 176.028 174.990 -0.042 0.000 1.319 190 C CA -0.452 58.558 59.018 -0.013 0.000 1.949 190 C CB 0.577 28.323 27.740 0.012 0.000 2.639 190 C HN 0.610 nan 8.230 nan 0.000 0.594 191 R N 2.073 122.526 120.500 -0.078 0.000 2.295 191 R HA 0.602 4.941 4.340 -0.001 0.000 0.324 191 R C -1.419 174.836 176.300 -0.075 0.000 0.968 191 R CA -0.265 55.760 56.100 -0.124 0.000 0.837 191 R CB 0.744 30.870 30.300 -0.290 0.000 1.133 191 R HN 0.653 nan 8.270 nan 0.000 0.450 192 V N 4.117 124.006 119.914 -0.041 0.000 2.427 192 V HA 0.398 4.518 4.120 -0.001 0.000 0.286 192 V C -0.249 175.849 176.094 0.007 0.000 1.034 192 V CA -0.378 61.923 62.300 0.001 0.000 0.893 192 V CB 1.882 33.712 31.823 0.013 0.000 0.982 192 V HN 0.855 nan 8.190 nan 0.000 0.452 193 T N 4.405 118.982 114.554 0.038 0.000 2.848 193 T HA 0.378 4.728 4.350 -0.001 0.000 0.285 193 T C -0.120 174.624 174.700 0.074 0.000 0.995 193 T CA -0.654 61.475 62.100 0.048 0.000 0.970 193 T CB 1.500 70.412 68.868 0.074 0.000 0.976 193 T HN 0.466 nan 8.240 nan 0.000 0.441 194 R N 2.608 123.155 120.500 0.079 0.000 3.268 194 R HA 0.433 4.772 4.340 -0.001 0.000 0.217 194 R C -0.341 176.057 176.300 0.164 0.000 1.568 194 R CA -0.436 55.755 56.100 0.153 0.000 1.322 194 R CB -1.643 28.777 30.300 0.200 0.000 1.280 194 R HN 0.838 nan 8.270 nan 0.000 0.667 195 C N -1.551 117.842 119.300 0.155 0.000 3.323 195 C HA 1.031 5.491 4.460 -0.001 0.000 0.324 195 C C 0.108 175.213 174.990 0.191 0.000 1.428 195 C CA -0.339 58.769 59.018 0.151 0.000 1.368 195 C CB 1.576 29.315 27.740 -0.002 0.000 1.731 195 C HN 0.653 nan 8.230 nan 0.000 0.455 196 G N -1.207 107.715 108.800 0.203 0.000 2.428 196 G HA2 0.537 4.496 3.960 -0.001 0.000 0.304 196 G HA3 0.537 4.496 3.960 -0.001 0.000 0.304 196 G C -2.048 173.007 174.900 0.258 0.000 1.303 196 G CA -0.092 45.123 45.100 0.193 0.000 0.825 196 G HN 1.401 nan 8.290 nan 0.000 0.484 197 Y N 0.651 120.961 120.300 0.016 0.000 2.734 197 Y HA 0.400 4.950 4.550 -0.001 0.000 0.251 197 Y C 1.460 177.345 175.900 -0.024 0.000 1.049 197 Y CA 0.362 58.462 58.100 0.001 0.000 1.103 197 Y CB 0.546 38.964 38.460 -0.070 0.000 1.201 197 Y HN 0.776 nan 8.280 nan 0.000 0.618 198 T N -5.247 109.337 114.554 0.052 0.000 2.992 198 T HA 0.377 4.727 4.350 -0.001 0.000 0.255 198 T C 1.572 176.269 174.700 -0.004 0.000 0.938 198 T CA 0.562 62.643 62.100 -0.032 0.000 0.895 198 T CB 0.369 69.225 68.868 -0.021 0.000 1.221 198 T HN 0.574 nan 8.240 nan 0.000 0.512 199 G N 1.235 110.095 108.800 0.100 0.000 2.195 199 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.246 199 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.246 199 G C -0.068 174.707 174.900 -0.207 0.000 0.984 199 G CA 0.198 45.263 45.100 -0.060 0.000 0.633 199 G HN 0.616 nan 8.290 nan 0.000 0.525 200 E N 0.641 120.822 120.200 -0.032 0.000 2.267 200 E HA 0.459 4.809 4.350 -0.001 0.000 0.258 200 E C -0.127 176.512 176.600 0.065 0.000 1.074 200 E CA -0.698 55.677 56.400 -0.041 0.000 0.915 200 E CB 0.767 30.460 29.700 -0.012 0.000 1.186 200 E HN 0.216 nan 8.360 nan 0.000 0.439 201 D N -0.761 119.666 120.400 0.045 0.000 2.368 201 D HA 0.439 5.079 4.640 -0.001 0.000 0.240 201 D C -0.220 176.156 176.300 0.126 0.000 1.169 201 D CA 0.449 54.514 54.000 0.108 0.000 0.906 201 D CB 0.749 41.584 40.800 0.059 0.000 1.187 201 D HN 0.483 nan 8.370 nan 0.000 0.435 202 G N -0.593 108.304 108.800 0.161 0.000 2.338 202 G HA2 0.489 4.448 3.960 -0.001 0.000 0.295 202 G HA3 0.489 4.448 3.960 -0.001 0.000 0.295 202 G C -1.222 173.775 174.900 0.162 0.000 1.461 202 G CA -0.208 44.983 45.100 0.152 0.000 0.817 202 G HN 0.871 nan 8.290 nan 0.000 0.556 203 V N -2.933 117.065 119.914 0.139 0.000 3.102 203 V HA 0.955 5.074 4.120 -0.001 0.000 0.312 203 V C -0.718 175.447 176.094 0.118 0.000 1.135 203 V CA -1.056 61.319 62.300 0.125 0.000 1.022 203 V CB 2.141 34.025 31.823 0.103 0.000 1.056 203 V HN 0.887 nan 8.190 nan 0.000 0.436 204 E N 1.039 121.300 120.200 0.102 0.000 2.246 204 E HA 0.651 5.000 4.350 -0.001 0.000 0.266 204 E C -1.851 174.797 176.600 0.081 0.000 0.880 204 E CA -0.700 55.757 56.400 0.095 0.000 0.762 204 E CB 2.272 32.027 29.700 0.091 0.000 1.180 204 E HN 0.698 nan 8.360 nan 0.000 0.416 205 I N 1.893 122.507 120.570 0.074 0.000 2.378 205 I HA 0.158 4.327 4.170 -0.001 0.000 0.291 205 I C 0.097 176.242 176.117 0.047 0.000 0.992 205 I CA -0.252 61.080 61.300 0.053 0.000 1.154 205 I CB 1.940 39.972 38.000 0.054 0.000 1.315 205 I HN 0.210 nan 8.210 nan 0.000 0.448 206 S N 5.983 121.698 115.700 0.025 0.000 2.415 206 S HA 0.545 5.015 4.470 -0.001 0.000 0.313 206 S C -0.695 173.909 174.600 0.007 0.000 1.067 206 S CA -0.490 57.727 58.200 0.027 0.000 1.099 206 S CB 0.319 63.513 63.200 -0.011 0.000 0.991 206 S HN 0.479 nan 8.310 nan 0.000 0.491 207 V N 7.188 127.114 119.914 0.019 0.000 2.513 207 V HA 0.649 4.769 4.120 -0.001 0.000 0.299 207 V C -2.593 173.512 176.094 0.018 0.000 1.035 207 V CA -2.486 59.824 62.300 0.017 0.000 0.889 207 V CB 1.767 33.601 31.823 0.018 0.000 0.988 207 V HN 0.638 nan 8.190 nan 0.000 0.440 208 P HA 0.067 nan 4.420 nan 0.000 0.264 208 P C 1.032 178.345 177.300 0.022 0.000 1.193 208 P CA 0.185 63.297 63.100 0.019 0.000 0.763 208 P CB 0.832 32.543 31.700 0.018 0.000 0.810 209 V N 4.007 123.934 119.914 0.023 0.000 2.277 209 V HA -0.366 3.753 4.120 -0.001 0.000 0.253 209 V C 2.361 178.468 176.094 0.022 0.000 1.067 209 V CA 2.718 65.032 62.300 0.023 0.000 1.047 209 V CB -1.765 30.075 31.823 0.030 0.000 0.649 209 V HN 0.692 nan 8.190 nan 0.000 0.447 210 A N 0.167 123.000 122.820 0.022 0.000 2.032 210 A HA -0.129 4.191 4.320 -0.001 0.000 0.221 210 A C 2.184 179.785 177.584 0.029 0.000 1.165 210 A CA 2.111 54.160 52.037 0.021 0.000 0.645 210 A CB -0.819 18.190 19.000 0.015 0.000 0.807 210 A HN 0.649 nan 8.150 nan 0.000 0.453 211 G N -2.219 106.606 108.800 0.042 0.000 3.159 211 G HA2 0.367 4.327 3.960 -0.001 0.000 0.232 211 G HA3 0.367 4.327 3.960 -0.001 0.000 0.232 211 G C 1.337 176.274 174.900 0.062 0.000 1.116 211 G CA 0.968 46.117 45.100 0.082 0.000 0.767 211 G HN 0.654 nan 8.290 nan 0.000 0.547 212 A N 0.830 123.658 122.820 0.013 0.000 1.859 212 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 212 A C 2.492 180.007 177.584 -0.115 0.000 1.209 212 A CA 2.168 54.180 52.037 -0.042 0.000 0.639 212 A CB -0.892 18.085 19.000 -0.037 0.000 0.835 212 A HN 0.318 nan 8.150 nan 0.000 0.450 213 V N -0.339 119.516 119.914 -0.099 0.000 2.594 213 V HA -0.265 3.855 4.120 -0.001 0.000 0.253 213 V C 2.457 178.497 176.094 -0.089 0.000 1.069 213 V CA 2.550 64.752 62.300 -0.164 0.000 1.082 213 V CB -1.146 30.654 31.823 -0.038 0.000 0.680 213 V HN 0.846 nan 8.190 nan 0.000 0.469 214 H N 0.132 119.145 119.070 -0.096 0.000 2.326 214 H HA -0.113 4.443 4.556 -0.001 0.000 0.301 214 H C 1.890 177.148 175.328 -0.116 0.000 1.081 214 H CA 1.963 57.971 56.048 -0.068 0.000 1.334 214 H CB -0.203 29.545 29.762 -0.024 0.000 1.385 214 H HN 0.287 nan 8.280 nan 0.000 0.504 215 L N 0.488 121.573 121.223 -0.229 0.000 2.083 215 L HA 0.011 4.350 4.340 -0.001 0.000 0.209 215 L C 2.376 179.028 176.870 -0.364 0.000 1.083 215 L CA 2.013 56.670 54.840 -0.305 0.000 0.752 215 L CB -1.393 40.601 42.059 -0.110 0.000 0.899 215 L HN 0.370 nan 8.230 nan 0.000 0.433 216 A N -1.443 121.167 122.820 -0.350 0.000 1.877 216 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 216 A C 2.258 179.671 177.584 -0.285 0.000 1.186 216 A CA 2.326 54.112 52.037 -0.419 0.000 0.620 216 A CB -1.238 17.242 19.000 -0.866 0.000 0.822 216 A HN 0.499 nan 8.150 nan 0.000 0.443 217 T N 0.239 114.678 114.554 -0.193 0.000 2.867 217 T HA 0.065 4.415 4.350 -0.001 0.000 0.268 217 T C 2.189 176.774 174.700 -0.193 0.000 1.057 217 T CA 1.298 63.398 62.100 -0.000 0.000 1.136 217 T CB -0.415 68.527 68.868 0.124 0.000 0.874 217 T HN 0.589 nan 8.240 nan 0.000 0.466 218 A N 1.518 124.089 122.820 -0.415 0.000 1.865 218 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 218 A C 2.269 179.408 177.584 -0.741 0.000 1.191 218 A CA 1.413 53.049 52.037 -0.669 0.000 0.623 218 A CB -0.847 17.496 19.000 -1.096 0.000 0.826 218 A HN 0.503 nan 8.150 nan 0.000 0.444 219 I N -1.002 119.131 120.570 -0.729 0.000 2.142 219 I HA -0.223 3.946 4.170 -0.001 0.000 0.240 219 I C 2.372 178.351 176.117 -0.231 0.000 1.078 219 I CA 1.253 62.281 61.300 -0.452 0.000 1.343 219 I CB -0.319 37.522 38.000 -0.266 0.000 1.046 219 I HN 0.360 nan 8.210 nan 0.000 0.405 220 L N 1.131 122.244 121.223 -0.184 0.000 2.261 220 L HA -0.210 4.129 4.340 -0.001 0.000 0.216 220 L C 2.276 179.068 176.870 -0.130 0.000 1.114 220 L CA 1.788 56.547 54.840 -0.136 0.000 0.777 220 L CB -0.722 41.279 42.059 -0.096 0.000 0.910 220 L HN 0.099 nan 8.230 nan 0.000 0.440 221 K N -0.418 119.904 120.400 -0.129 0.000 2.152 221 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 221 K C 0.851 177.410 176.600 -0.069 0.000 1.048 221 K CA 0.445 56.678 56.287 -0.090 0.000 0.933 221 K CB -0.314 32.136 32.500 -0.084 0.000 0.721 221 K HN 0.375 nan 8.250 nan 0.000 0.447 222 N N 0.980 119.641 118.700 -0.066 0.000 2.458 222 N HA -0.025 4.714 4.740 -0.001 0.000 0.258 222 N C -2.152 173.330 175.510 -0.047 0.000 1.219 222 N CA -1.118 51.913 53.050 -0.031 0.000 0.902 222 N CB 1.278 39.764 38.487 -0.002 0.000 1.076 222 N HN -0.159 nan 8.380 nan 0.000 0.455 223 P HA -0.040 nan 4.420 nan 0.000 0.225 223 P C 0.722 177.977 177.300 -0.074 0.000 1.148 223 P CA 0.783 63.843 63.100 -0.066 0.000 0.779 223 P CB 0.422 32.088 31.700 -0.057 0.000 0.780 224 E N -0.532 119.644 120.200 -0.040 0.000 2.106 224 E HA -0.027 4.322 4.350 -0.001 0.000 0.192 224 E C 0.713 177.360 176.600 0.079 0.000 0.984 224 E CA 0.619 57.010 56.400 -0.016 0.000 0.806 224 E CB -0.430 29.289 29.700 0.032 0.000 0.750 224 E HN 0.113 nan 8.360 nan 0.000 0.458 225 V N 1.293 121.228 119.914 0.035 0.000 2.732 225 V HA 0.212 4.332 4.120 -0.001 0.000 0.297 225 V C 0.214 176.265 176.094 -0.072 0.000 1.060 225 V CA -0.059 62.261 62.300 0.035 0.000 1.038 225 V CB 1.172 32.976 31.823 -0.032 0.000 1.003 225 V HN -0.011 nan 8.190 nan 0.000 0.481 226 K N 2.888 123.217 120.400 -0.118 0.000 2.543 226 K HA 0.518 4.838 4.320 -0.001 0.000 0.255 226 K C -1.264 175.124 176.600 -0.354 0.000 0.934 226 K CA -0.710 55.369 56.287 -0.346 0.000 0.810 226 K CB 1.691 33.770 32.500 -0.702 0.000 1.315 226 K HN 0.555 nan 8.250 nan 0.000 0.433 227 L N 2.476 123.395 121.223 -0.508 0.000 2.483 227 L HA 0.378 4.718 4.340 -0.001 0.000 0.276 227 L C 0.068 176.583 176.870 -0.592 0.000 1.213 227 L CA -0.047 54.397 54.840 -0.659 0.000 0.843 227 L CB 0.887 42.206 42.059 -1.233 0.000 1.107 227 L HN 0.722 nan 8.230 nan 0.000 0.487 228 A N 2.000 124.526 122.820 -0.489 0.000 2.393 228 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 228 A C -0.090 177.494 177.584 0.000 0.000 1.050 228 A CA -0.138 51.669 52.037 -0.383 0.000 0.724 228 A CB 1.556 19.904 19.000 -1.086 0.000 1.248 228 A HN 0.754 nan 8.150 nan 0.000 0.424 229 G N -0.243 108.688 108.800 0.217 0.000 2.642 229 G HA2 0.481 4.440 3.960 -0.001 0.000 0.291 229 G HA3 0.481 4.440 3.960 -0.001 0.000 0.291 229 G C 0.779 175.782 174.900 0.172 0.000 1.345 229 G CA -0.747 44.449 45.100 0.160 0.000 1.043 229 G HN 0.668 nan 8.290 nan 0.000 0.528 230 L N 0.124 121.356 121.223 0.016 0.000 2.013 230 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 230 L C 3.324 180.207 176.870 0.021 0.000 1.073 230 L CA 1.771 56.580 54.840 -0.053 0.000 0.753 230 L CB -0.504 41.420 42.059 -0.225 0.000 0.890 230 L HN 0.584 nan 8.230 nan 0.000 0.432 231 A N -0.145 122.686 122.820 0.019 0.000 1.933 231 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 231 A C 2.507 180.119 177.584 0.046 0.000 1.175 231 A CA 1.772 53.785 52.037 -0.041 0.000 0.628 231 A CB -0.666 18.234 19.000 -0.166 0.000 0.814 231 A HN 0.422 nan 8.150 nan 0.000 0.444 232 A N -0.510 122.423 122.820 0.189 0.000 1.968 232 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 232 A C 2.215 179.983 177.584 0.306 0.000 1.169 232 A CA 1.489 53.706 52.037 0.300 0.000 0.638 232 A CB -0.433 18.765 19.000 0.330 0.000 0.812 232 A HN 0.553 nan 8.150 nan 0.000 0.446 233 R N -0.272 120.418 120.500 0.317 0.000 2.092 233 R HA -0.181 4.159 4.340 -0.001 0.000 0.231 233 R C 1.785 178.134 176.300 0.082 0.000 1.119 233 R CA 1.895 58.090 56.100 0.158 0.000 0.970 233 R CB -0.352 30.019 30.300 0.118 0.000 0.864 233 R HN 0.528 nan 8.270 nan 0.000 0.440 234 D N -0.406 120.053 120.400 0.098 0.000 2.117 234 D HA -0.134 4.505 4.640 -0.001 0.000 0.198 234 D C 1.916 178.242 176.300 0.044 0.000 0.982 234 D CA 1.786 55.830 54.000 0.074 0.000 0.828 234 D CB 0.053 40.895 40.800 0.070 0.000 0.967 234 D HN 0.310 nan 8.370 nan 0.000 0.464 235 S N -0.673 115.081 115.700 0.090 0.000 2.428 235 S HA -0.056 4.414 4.470 -0.001 0.000 0.230 235 S C 2.165 176.897 174.600 0.220 0.000 1.014 235 S CA 0.367 58.646 58.200 0.132 0.000 0.957 235 S CB -0.526 62.773 63.200 0.165 0.000 0.784 235 S HN 0.314 nan 8.310 nan 0.000 0.499 236 L N 1.412 122.721 121.223 0.142 0.000 2.072 236 L HA -0.030 4.309 4.340 -0.001 0.000 0.205 236 L C 2.971 179.794 176.870 -0.079 0.000 1.079 236 L CA 1.526 56.357 54.840 -0.014 0.000 0.752 236 L CB -0.404 41.592 42.059 -0.105 0.000 0.906 236 L HN 0.423 nan 8.230 nan 0.000 0.436 237 R N -0.003 120.377 120.500 -0.200 0.000 2.090 237 R HA -0.140 4.200 4.340 -0.001 0.000 0.228 237 R C 2.028 178.228 176.300 -0.168 0.000 1.110 237 R CA 1.082 56.943 56.100 -0.399 0.000 0.973 237 R CB -1.168 28.494 30.300 -1.063 0.000 0.869 237 R HN 0.101 nan 8.270 nan 0.000 0.440 238 L N 1.560 122.743 121.223 -0.068 0.000 2.046 238 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 238 L C 1.763 178.704 176.870 0.117 0.000 1.077 238 L CA 1.855 56.709 54.840 0.023 0.000 0.747 238 L CB -0.592 41.456 42.059 -0.017 0.000 0.896 238 L HN 0.352 nan 8.230 nan 0.000 0.432 239 E N -0.664 119.586 120.200 0.084 0.000 2.150 239 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 239 E C 1.881 178.617 176.600 0.227 0.000 0.985 239 E CA 0.956 57.459 56.400 0.171 0.000 0.814 239 E CB -0.229 29.552 29.700 0.134 0.000 0.752 239 E HN 0.595 nan 8.360 nan 0.000 0.466 240 A N 0.529 123.406 122.820 0.096 0.000 2.235 240 A HA 0.207 4.527 4.320 -0.001 0.000 0.208 240 A C 1.607 179.231 177.584 0.067 0.000 1.172 240 A CA 0.721 52.785 52.037 0.045 0.000 0.786 240 A CB -0.489 18.509 19.000 -0.003 0.000 0.804 240 A HN 0.307 nan 8.150 nan 0.000 0.479 241 G N -0.777 108.103 108.800 0.134 0.000 2.221 241 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.265 241 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.265 241 G C -0.052 174.906 174.900 0.096 0.000 1.041 241 G CA 0.511 45.671 45.100 0.100 0.000 0.807 241 G HN 0.502 nan 8.290 nan 0.000 0.502 242 L N -0.411 120.850 121.223 0.064 0.000 2.325 242 L HA 0.450 4.789 4.340 -0.001 0.000 0.279 242 L C 1.088 178.024 176.870 0.109 0.000 1.054 242 L CA -1.213 53.677 54.840 0.083 0.000 0.804 242 L CB 1.441 43.476 42.059 -0.039 0.000 1.200 242 L HN 0.165 nan 8.230 nan 0.000 0.436 243 C N 3.188 122.610 119.300 0.202 0.000 2.644 243 C HA 0.264 4.724 4.460 -0.001 0.000 0.417 243 C C 0.410 175.587 174.990 0.312 0.000 1.304 243 C CA -0.450 58.699 59.018 0.219 0.000 2.035 243 C CB 0.420 28.285 27.740 0.209 0.000 2.673 243 C HN 0.478 nan 8.230 nan 0.000 0.602 244 L N 5.038 126.418 121.223 0.262 0.000 2.283 244 L HA 0.374 4.713 4.340 -0.001 0.000 0.281 244 L C -0.438 176.570 176.870 0.230 0.000 1.033 244 L CA -0.327 54.694 54.840 0.302 0.000 0.848 244 L CB -0.332 41.876 42.059 0.248 0.000 1.226 244 L HN 0.688 nan 8.230 nan 0.000 0.429 245 Y N 5.515 125.905 120.300 0.149 0.000 2.811 245 Y HA 0.351 4.901 4.550 -0.001 0.000 0.334 245 Y C 1.455 177.414 175.900 0.098 0.000 1.247 245 Y CA 1.642 59.806 58.100 0.107 0.000 1.526 245 Y CB 0.744 39.251 38.460 0.079 0.000 1.284 245 Y HN 0.920 nan 8.280 nan 0.000 0.586 246 G N 3.425 111.810 108.800 -0.691 0.000 2.308 246 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.221 246 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.221 246 G C 0.794 175.592 174.900 -0.171 0.000 1.032 246 G CA 0.597 45.468 45.100 -0.381 0.000 0.623 246 G HN 0.618 nan 8.290 nan 0.000 0.506 247 N N 0.494 119.144 118.700 -0.084 0.000 2.622 247 N HA 0.185 4.924 4.740 -0.001 0.000 0.213 247 N C 1.316 176.840 175.510 0.022 0.000 1.037 247 N CA 1.040 54.079 53.050 -0.019 0.000 0.999 247 N CB 0.046 38.548 38.487 0.025 0.000 1.342 247 N HN 0.219 nan 8.380 nan 0.000 0.465 248 D N 0.466 120.907 120.400 0.068 0.000 2.289 248 D HA 0.103 4.743 4.640 -0.001 0.000 0.207 248 D C 0.453 176.881 176.300 0.213 0.000 0.966 248 D CA 0.596 54.689 54.000 0.155 0.000 0.868 248 D CB 0.757 41.636 40.800 0.133 0.000 0.943 248 D HN 0.423 nan 8.370 nan 0.000 0.514 249 I N -1.366 119.248 120.570 0.073 0.000 2.827 249 I HA 0.506 4.675 4.170 -0.001 0.000 0.298 249 I C -1.699 174.284 176.117 -0.224 0.000 1.235 249 I CA -1.048 60.287 61.300 0.059 0.000 1.021 249 I CB 2.797 40.900 38.000 0.171 0.000 1.259 249 I HN -0.291 nan 8.210 nan 0.000 0.427 250 D N 1.606 121.922 120.400 -0.141 0.000 2.946 250 D HA 0.194 4.834 4.640 -0.001 0.000 0.337 250 D C -0.179 176.114 176.300 -0.013 0.000 1.332 250 D CA -0.656 53.193 54.000 -0.252 0.000 0.935 250 D CB 0.577 41.208 40.800 -0.283 0.000 1.440 250 D HN 0.587 nan 8.370 nan 0.000 0.540 251 E N -1.206 118.944 120.200 -0.084 0.000 2.515 251 E HA -0.105 4.245 4.350 -0.001 0.000 0.201 251 E C 0.329 176.782 176.600 -0.246 0.000 1.071 251 E CA 0.665 56.976 56.400 -0.149 0.000 0.880 251 E CB -0.181 29.378 29.700 -0.236 0.000 0.828 251 E HN 0.350 nan 8.360 nan 0.000 0.540 252 H N 0.131 119.194 119.070 -0.010 0.000 2.594 252 H HA 0.114 4.670 4.556 -0.001 0.000 0.279 252 H C 0.363 175.654 175.328 -0.062 0.000 1.042 252 H CA 0.442 56.467 56.048 -0.040 0.000 1.177 252 H CB 0.605 30.327 29.762 -0.068 0.000 1.524 252 H HN 0.047 nan 8.280 nan 0.000 0.537 253 T N -0.745 113.839 114.554 0.050 0.000 2.848 253 T HA 0.420 4.769 4.350 -0.001 0.000 0.285 253 T C 0.513 175.262 174.700 0.082 0.000 0.995 253 T CA -0.893 61.230 62.100 0.038 0.000 0.970 253 T CB 2.606 71.495 68.868 0.034 0.000 0.976 253 T HN 0.140 nan 8.240 nan 0.000 0.441 254 T N 0.422 115.029 114.554 0.089 0.000 2.847 254 T HA 0.470 4.819 4.350 -0.001 0.000 0.279 254 T C -1.904 172.848 174.700 0.088 0.000 0.984 254 T CA -1.891 60.263 62.100 0.090 0.000 0.988 254 T CB 0.673 69.594 68.868 0.088 0.000 1.040 254 T HN 0.279 nan 8.240 nan 0.000 0.528 255 P HA 0.012 nan 4.420 nan 0.000 0.222 255 P C 1.484 178.794 177.300 0.017 0.000 1.147 255 P CA 0.289 63.392 63.100 0.005 0.000 0.790 255 P CB -0.068 31.596 31.700 -0.060 0.000 0.780 256 V N 0.094 120.040 119.914 0.053 0.000 2.302 256 V HA -0.188 3.931 4.120 -0.001 0.000 0.243 256 V C 2.168 178.321 176.094 0.098 0.000 1.036 256 V CA 1.705 64.043 62.300 0.064 0.000 1.020 256 V CB -1.172 30.695 31.823 0.073 0.000 0.657 256 V HN 0.151 nan 8.190 nan 0.000 0.453 257 E N 0.805 121.086 120.200 0.135 0.000 2.153 257 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 257 E C 2.127 178.902 176.600 0.293 0.000 0.988 257 E CA 1.225 57.757 56.400 0.219 0.000 0.811 257 E CB -0.402 29.433 29.700 0.226 0.000 0.746 257 E HN 0.632 nan 8.360 nan 0.000 0.466 258 G N 0.311 109.246 108.800 0.225 0.000 2.848 258 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.208 258 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.208 258 G C 0.281 175.229 174.900 0.081 0.000 1.152 258 G CA 0.222 45.438 45.100 0.194 0.000 0.789 258 G HN 0.073 nan 8.290 nan 0.000 0.531 259 S N -1.405 114.336 115.700 0.068 0.000 3.706 259 S HA -0.139 4.330 4.470 -0.001 0.000 0.363 259 S C 0.697 175.358 174.600 0.102 0.000 0.999 259 S CA 0.684 58.927 58.200 0.072 0.000 1.143 259 S CB -1.519 61.706 63.200 0.042 0.000 0.902 259 S HN 0.464 nan 8.310 nan 0.000 0.476 260 L N -0.501 120.720 121.223 -0.004 0.000 3.358 260 L HA 0.227 4.566 4.340 -0.001 0.000 0.301 260 L C 1.596 178.235 176.870 -0.384 0.000 1.276 260 L CA -0.079 54.611 54.840 -0.251 0.000 1.028 260 L CB 0.502 42.407 42.059 -0.257 0.000 1.421 260 L HN 0.257 nan 8.230 nan 0.000 0.604 261 S N 0.982 116.614 115.700 -0.112 0.000 2.407 261 S HA -0.188 4.281 4.470 -0.001 0.000 0.235 261 S C 1.715 176.261 174.600 -0.090 0.000 1.036 261 S CA 1.936 60.090 58.200 -0.076 0.000 1.013 261 S CB -0.233 62.986 63.200 0.032 0.000 0.820 261 S HN 0.751 nan 8.310 nan 0.000 0.476 262 W N 2.356 123.637 121.300 -0.032 0.000 2.421 262 W HA -0.094 4.566 4.660 -0.001 0.000 0.270 262 W C 1.802 178.285 176.519 -0.060 0.000 1.233 262 W CA 1.448 58.770 57.345 -0.039 0.000 1.226 262 W CB -1.788 27.662 29.460 -0.018 0.000 1.121 262 W HN 0.422 nan 8.180 nan 0.000 0.579 263 T N -0.024 114.067 114.554 -0.771 0.000 3.007 263 T HA 0.023 4.373 4.350 -0.001 0.000 0.270 263 T C 1.113 175.594 174.700 -0.365 0.000 1.107 263 T CA 0.327 62.014 62.100 -0.689 0.000 1.118 263 T CB -0.730 67.634 68.868 -0.840 0.000 0.889 263 T HN 0.068 nan 8.240 nan 0.000 0.506 264 L N 2.439 123.463 121.223 -0.332 0.000 2.477 264 L HA 0.390 4.730 4.340 -0.001 0.000 0.272 264 L C 1.326 178.047 176.870 -0.247 0.000 1.157 264 L CA -0.633 53.975 54.840 -0.386 0.000 0.889 264 L CB -0.040 41.741 42.059 -0.464 0.000 1.158 264 L HN 0.291 nan 8.230 nan 0.000 0.473 265 G N 2.371 111.033 108.800 -0.230 0.000 2.321 265 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.237 265 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.237 265 G C 0.812 175.665 174.900 -0.080 0.000 1.282 265 G CA -0.282 44.749 45.100 -0.116 0.000 0.886 265 G HN 0.868 nan 8.290 nan 0.000 0.528 266 K N 1.561 121.943 120.400 -0.030 0.000 2.001 266 K HA -0.208 4.112 4.320 -0.001 0.000 0.214 266 K C 2.495 179.097 176.600 0.003 0.000 1.050 266 K CA 1.711 57.994 56.287 -0.007 0.000 0.934 266 K CB -0.134 32.370 32.500 0.007 0.000 0.718 266 K HN 0.600 nan 8.250 nan 0.000 0.443 267 R N 0.659 121.163 120.500 0.007 0.000 2.070 267 R HA -0.136 4.203 4.340 -0.001 0.000 0.233 267 R C 2.262 178.590 176.300 0.046 0.000 1.137 267 R CA 1.704 57.818 56.100 0.023 0.000 0.945 267 R CB -0.184 30.129 30.300 0.021 0.000 0.845 267 R HN 0.195 nan 8.270 nan 0.000 0.430 268 R N 0.078 120.606 120.500 0.047 0.000 2.096 268 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 268 R C 2.598 179.016 176.300 0.198 0.000 1.127 268 R CA 1.715 57.890 56.100 0.124 0.000 0.968 268 R CB -0.496 29.870 30.300 0.110 0.000 0.861 268 R HN 0.309 nan 8.270 nan 0.000 0.440 269 R N 1.106 121.632 120.500 0.045 0.000 2.083 269 R HA -0.134 4.206 4.340 -0.001 0.000 0.237 269 R C 2.162 178.555 176.300 0.155 0.000 1.137 269 R CA 1.757 57.900 56.100 0.071 0.000 0.951 269 R CB -0.299 29.972 30.300 -0.048 0.000 0.851 269 R HN 0.245 nan 8.270 nan 0.000 0.434 270 A N 0.120 122.994 122.820 0.091 0.000 2.015 270 A HA 0.030 4.350 4.320 -0.001 0.000 0.219 270 A C 2.100 179.733 177.584 0.082 0.000 1.163 270 A CA 1.416 53.499 52.037 0.076 0.000 0.646 270 A CB -0.367 18.662 19.000 0.049 0.000 0.806 270 A HN 0.551 nan 8.150 nan 0.000 0.448 271 A N -1.650 121.230 122.820 0.099 0.000 2.195 271 A HA 0.448 4.768 4.320 -0.001 0.000 0.210 271 A C 1.074 178.707 177.584 0.082 0.000 1.165 271 A CA 0.572 52.656 52.037 0.079 0.000 0.806 271 A CB -0.622 18.421 19.000 0.071 0.000 0.847 271 A HN 0.592 nan 8.150 nan 0.000 0.482 272 M N -0.352 119.339 119.600 0.153 0.000 2.360 272 M HA -0.194 4.286 4.480 -0.001 0.000 0.202 272 M C -0.522 175.727 176.300 -0.086 0.000 0.390 272 M CA 0.990 56.332 55.300 0.071 0.000 0.470 272 M CB -1.931 30.663 32.600 -0.011 0.000 1.637 272 M HN 0.494 nan 8.290 nan 0.000 0.885 273 D N 1.458 121.913 120.400 0.092 0.000 2.460 273 D HA 0.633 5.272 4.640 -0.001 0.000 0.268 273 D C -0.764 175.645 176.300 0.181 0.000 1.153 273 D CA -0.174 53.847 54.000 0.036 0.000 0.929 273 D CB 0.417 41.257 40.800 0.066 0.000 1.015 273 D HN 0.286 nan 8.370 nan 0.000 0.502 274 F N -0.089 119.862 119.950 0.002 0.000 2.744 274 F HA 0.543 5.069 4.527 -0.001 0.000 0.311 274 F C -2.922 172.881 175.800 0.005 0.000 1.144 274 F CA -2.083 55.918 58.000 0.002 0.000 0.938 274 F CB 0.238 39.235 39.000 -0.004 0.000 1.292 274 F HN -0.169 nan 8.300 nan 0.000 0.444 275 P HA 0.244 nan 4.420 nan 0.000 0.263 275 P C 0.691 178.036 177.300 0.075 0.000 1.195 275 P CA 1.499 64.638 63.100 0.066 0.000 0.762 275 P CB 0.779 32.544 31.700 0.108 0.000 0.799 276 G N 3.067 111.843 108.800 -0.039 0.000 2.157 276 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.248 276 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.248 276 G C 1.083 175.918 174.900 -0.108 0.000 0.979 276 G CA 0.450 45.541 45.100 -0.015 0.000 0.650 276 G HN 0.699 nan 8.290 nan 0.000 0.529 277 A N 1.028 123.581 122.820 -0.445 0.000 1.948 277 A HA -0.049 4.270 4.320 -0.001 0.000 0.220 277 A C 2.217 179.648 177.584 -0.255 0.000 1.177 277 A CA 2.534 54.155 52.037 -0.693 0.000 0.636 277 A CB -0.495 17.830 19.000 -1.125 0.000 0.815 277 A HN 1.226 nan 8.150 nan 0.000 0.449 278 K N -0.847 119.447 120.400 -0.175 0.000 2.280 278 K HA -0.014 4.306 4.320 -0.001 0.000 0.202 278 K C 1.331 177.908 176.600 -0.038 0.000 1.047 278 K CA 1.632 57.866 56.287 -0.089 0.000 0.942 278 K CB -0.299 32.158 32.500 -0.071 0.000 0.739 278 K HN 0.232 nan 8.250 nan 0.000 0.457 279 V N 1.174 121.076 119.914 -0.020 0.000 2.795 279 V HA -0.019 4.101 4.120 -0.001 0.000 0.243 279 V C 2.177 178.300 176.094 0.048 0.000 1.069 279 V CA 0.567 62.877 62.300 0.017 0.000 1.089 279 V CB -0.138 31.702 31.823 0.028 0.000 0.756 279 V HN 0.243 nan 8.190 nan 0.000 0.471 280 I N -0.055 120.562 120.570 0.078 0.000 2.202 280 I HA -0.177 3.993 4.170 -0.001 0.000 0.242 280 I C 2.430 178.632 176.117 0.142 0.000 1.091 280 I CA 1.188 62.576 61.300 0.148 0.000 1.368 280 I CB -0.468 37.717 38.000 0.308 0.000 1.058 280 I HN 0.125 nan 8.210 nan 0.000 0.410 281 V N 1.593 121.584 119.914 0.130 0.000 2.252 281 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 281 V C -0.223 175.915 176.094 0.073 0.000 1.056 281 V CA 2.373 64.740 62.300 0.113 0.000 1.022 281 V CB -2.072 29.789 31.823 0.064 0.000 0.641 281 V HN 0.312 nan 8.190 nan 0.000 0.445 282 P HA -0.180 nan 4.420 nan 0.000 0.217 282 P C 1.790 179.119 177.300 0.048 0.000 1.148 282 P CA 1.445 64.569 63.100 0.040 0.000 0.828 282 P CB -0.060 31.657 31.700 0.029 0.000 0.783 283 Q N -0.972 118.863 119.800 0.059 0.000 2.083 283 Q HA -0.065 4.275 4.340 -0.001 0.000 0.198 283 Q C 2.196 178.234 176.000 0.063 0.000 0.969 283 Q CA 1.004 56.844 55.803 0.062 0.000 0.838 283 Q CB -0.651 28.130 28.738 0.071 0.000 0.900 283 Q HN 0.280 nan 8.270 nan 0.000 0.436 284 L N 0.814 122.080 121.223 0.073 0.000 2.079 284 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 284 L C 2.016 178.919 176.870 0.055 0.000 1.081 284 L CA 0.916 55.796 54.840 0.067 0.000 0.752 284 L CB -0.268 41.840 42.059 0.080 0.000 0.896 284 L HN 0.116 nan 8.230 nan 0.000 0.433 285 K N -0.419 120.012 120.400 0.052 0.000 2.439 285 K HA 0.054 4.373 4.320 -0.001 0.000 0.197 285 K C 1.434 178.055 176.600 0.036 0.000 1.041 285 K CA 0.984 57.296 56.287 0.041 0.000 0.970 285 K CB 0.211 32.733 32.500 0.037 0.000 0.773 285 K HN 0.467 nan 8.250 nan 0.000 0.479 286 G N 0.852 109.676 108.800 0.039 0.000 2.545 286 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.195 286 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.195 286 G C 0.297 175.219 174.900 0.037 0.000 1.009 286 G CA -0.274 44.847 45.100 0.035 0.000 0.703 286 G HN 0.255 nan 8.290 nan 0.000 0.479 287 R N 1.060 121.582 120.500 0.036 0.000 3.688 287 R HA 0.499 4.839 4.340 -0.001 0.000 0.194 287 R C -0.677 175.649 176.300 0.043 0.000 1.677 287 R CA 0.292 56.413 56.100 0.035 0.000 1.351 287 R CB -0.143 30.175 30.300 0.030 0.000 1.338 287 R HN 0.275 nan 8.270 nan 0.000 0.731 288 V N 2.689 122.632 119.914 0.048 0.000 2.841 288 V HA 0.166 4.285 4.120 -0.001 0.000 0.310 288 V C 0.045 176.178 176.094 0.064 0.000 1.090 288 V CA -0.650 61.686 62.300 0.059 0.000 0.930 288 V CB 2.335 34.200 31.823 0.069 0.000 1.014 288 V HN 0.599 nan 8.190 nan 0.000 0.425 289 Q N 3.883 123.724 119.800 0.068 0.000 2.204 289 Q HA 0.166 4.506 4.340 -0.001 0.000 0.198 289 Q C 0.462 176.522 176.000 0.100 0.000 0.946 289 Q CA 0.969 56.815 55.803 0.072 0.000 0.859 289 Q CB 0.247 29.019 28.738 0.055 0.000 0.946 289 Q HN 0.817 nan 8.270 nan 0.000 0.474 290 R N -0.680 119.897 120.500 0.128 0.000 2.740 290 R HA 0.745 5.085 4.340 -0.001 0.000 0.273 290 R C -0.959 175.481 176.300 0.234 0.000 0.998 290 R CA -0.885 55.328 56.100 0.189 0.000 0.900 290 R CB 1.966 32.403 30.300 0.228 0.000 1.223 290 R HN -0.195 nan 8.270 nan 0.000 0.466 291 R N 0.918 121.530 120.500 0.187 0.000 2.750 291 R HA 0.366 4.706 4.340 -0.001 0.000 0.281 291 R C -0.979 175.237 176.300 -0.141 0.000 0.972 291 R CA -0.995 55.157 56.100 0.087 0.000 0.912 291 R CB 1.993 32.324 30.300 0.051 0.000 1.187 291 R HN 0.731 nan 8.270 nan 0.000 0.464 292 R N 3.095 123.386 120.500 -0.349 0.000 2.389 292 R HA 0.356 4.695 4.340 -0.001 0.000 0.295 292 R C -0.608 175.524 176.300 -0.279 0.000 1.075 292 R CA -0.254 55.451 56.100 -0.657 0.000 1.005 292 R CB 0.595 30.564 30.300 -0.552 0.000 0.987 292 R HN 0.483 nan 8.270 nan 0.000 0.452 293 V N 0.647 120.421 119.914 -0.233 0.000 3.167 293 V HA 0.857 4.976 4.120 -0.001 0.000 0.310 293 V C -0.281 175.777 176.094 -0.060 0.000 1.207 293 V CA -0.695 61.536 62.300 -0.114 0.000 1.059 293 V CB 1.734 33.520 31.823 -0.062 0.000 1.079 293 V HN 0.817 nan 8.190 nan 0.000 0.446 294 G N 0.551 109.314 108.800 -0.062 0.000 2.400 294 G HA2 0.731 4.691 3.960 -0.001 0.000 0.333 294 G HA3 0.731 4.691 3.960 -0.001 0.000 0.333 294 G C -1.285 173.719 174.900 0.174 0.000 1.143 294 G CA -0.814 44.316 45.100 0.050 0.000 0.914 294 G HN 0.867 nan 8.290 nan 0.000 0.480 295 L N 0.985 122.420 121.223 0.353 0.000 2.422 295 L HA 0.609 4.948 4.340 -0.001 0.000 0.264 295 L C -0.257 176.740 176.870 0.211 0.000 0.984 295 L CA -0.663 54.306 54.840 0.214 0.000 0.819 295 L CB 2.530 44.653 42.059 0.106 0.000 1.330 295 L HN 0.340 nan 8.230 nan 0.000 0.410 296 M N 2.771 122.457 119.600 0.142 0.000 2.518 296 M HA 0.726 5.205 4.480 -0.001 0.000 0.300 296 M C -0.782 175.536 176.300 0.031 0.000 1.175 296 M CA -0.564 54.776 55.300 0.067 0.000 0.890 296 M CB 2.485 35.150 32.600 0.109 0.000 1.710 296 M HN 0.865 nan 8.290 nan 0.000 0.453 297 C N -0.923 118.377 119.300 -0.000 0.000 3.272 297 C HA 0.713 5.173 4.460 -0.001 0.000 0.363 297 C C -0.880 174.104 174.990 -0.010 0.000 1.514 297 C CA -0.823 58.195 59.018 0.001 0.000 1.185 297 C CB 1.693 29.434 27.740 0.002 0.000 1.716 297 C HN 0.972 nan 8.230 nan 0.000 0.440 298 E N 0.328 120.525 120.200 -0.006 0.000 2.518 298 E HA 0.632 4.981 4.350 -0.001 0.000 0.248 298 E C 0.771 177.366 176.600 -0.009 0.000 1.028 298 E CA 0.229 56.624 56.400 -0.008 0.000 0.922 298 E CB 1.188 30.886 29.700 -0.003 0.000 1.299 298 E HN 1.698 nan 8.360 nan 0.000 0.457 299 G N 0.514 109.309 108.800 -0.008 0.000 2.564 299 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.273 299 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.273 299 G C -0.010 174.885 174.900 -0.008 0.000 1.242 299 G CA -0.308 44.788 45.100 -0.006 0.000 0.951 299 G HN 0.801 nan 8.290 nan 0.000 0.564 300 A N 2.551 125.368 122.820 -0.004 0.000 2.511 300 A HA 0.584 4.903 4.320 -0.001 0.000 0.242 300 A C -0.960 176.619 177.584 -0.008 0.000 1.069 300 A CA 0.227 52.263 52.037 -0.003 0.000 0.763 300 A CB -0.079 18.922 19.000 0.002 0.000 1.001 300 A HN 0.838 nan 8.150 nan 0.000 0.498 301 P HA 0.091 nan 4.420 nan 0.000 0.268 301 P C -0.504 176.787 177.300 -0.014 0.000 1.205 301 P CA 0.291 63.379 63.100 -0.021 0.000 0.771 301 P CB 0.442 32.128 31.700 -0.022 0.000 0.858 302 M N 3.218 122.805 119.600 -0.021 0.000 2.217 302 M HA 0.256 4.736 4.480 -0.001 0.000 0.354 302 M C 0.964 177.257 176.300 -0.012 0.000 1.225 302 M CA 0.260 55.553 55.300 -0.011 0.000 1.137 302 M CB 0.373 32.966 32.600 -0.011 0.000 1.576 302 M HN 0.164 nan 8.290 nan 0.000 0.461 303 R N 1.320 121.819 120.500 -0.000 0.000 2.873 303 R HA 0.720 5.060 4.340 -0.001 0.000 0.264 303 R C -0.626 175.665 176.300 -0.014 0.000 1.026 303 R CA -0.971 55.129 56.100 -0.001 0.000 1.002 303 R CB 1.305 31.617 30.300 0.020 0.000 1.174 303 R HN 0.838 nan 8.270 nan 0.000 0.488 304 A N 1.100 123.888 122.820 -0.053 0.000 2.520 304 A HA 0.123 4.443 4.320 -0.001 0.000 0.235 304 A C 0.036 177.526 177.584 -0.156 0.000 1.065 304 A CA 0.492 52.412 52.037 -0.194 0.000 0.764 304 A CB -0.295 18.513 19.000 -0.320 0.000 1.002 304 A HN 0.925 nan 8.150 nan 0.000 0.502 305 H N -0.619 118.472 119.070 0.035 0.000 3.642 305 H HA -0.136 4.420 4.556 -0.001 0.000 0.185 305 H C 0.260 175.600 175.328 0.021 0.000 0.992 305 H CA 0.847 56.910 56.048 0.026 0.000 1.216 305 H CB -2.044 27.729 29.762 0.019 0.000 1.055 305 H HN 0.584 nan 8.280 nan 0.000 0.351 306 S N 2.840 118.592 115.700 0.086 0.000 2.523 306 S HA 0.307 4.777 4.470 -0.001 0.000 0.275 306 S C -2.055 172.571 174.600 0.044 0.000 1.281 306 S CA -0.878 57.358 58.200 0.059 0.000 1.050 306 S CB 1.735 64.957 63.200 0.037 0.000 0.937 306 S HN 0.045 nan 8.310 nan 0.000 0.492 307 P HA 0.189 nan 4.420 nan 0.000 0.268 307 P C -0.783 176.521 177.300 0.006 0.000 1.205 307 P CA 0.083 63.196 63.100 0.021 0.000 0.771 307 P CB 0.319 32.027 31.700 0.013 0.000 0.858 308 I N 3.769 124.336 120.570 -0.005 0.000 2.378 308 I HA 0.348 4.518 4.170 -0.001 0.000 0.291 308 I C -0.370 175.709 176.117 -0.063 0.000 0.992 308 I CA -0.667 60.617 61.300 -0.027 0.000 1.154 308 I CB 1.057 39.042 38.000 -0.023 0.000 1.315 308 I HN 0.090 nan 8.210 nan 0.000 0.448 309 L N 5.495 126.673 121.223 -0.074 0.000 2.350 309 L HA 0.526 4.866 4.340 -0.001 0.000 0.260 309 L C -0.156 176.635 176.870 -0.131 0.000 1.015 309 L CA -0.762 54.018 54.840 -0.100 0.000 0.821 309 L CB 1.162 43.189 42.059 -0.054 0.000 1.370 309 L HN 0.566 nan 8.230 nan 0.000 0.416 310 N N 0.468 119.068 118.700 -0.167 0.000 2.374 310 N HA 0.236 4.976 4.740 -0.001 0.000 0.284 310 N C 0.445 175.942 175.510 -0.020 0.000 1.280 310 N CA -0.552 52.425 53.050 -0.122 0.000 0.963 310 N CB 0.194 38.618 38.487 -0.106 0.000 1.141 310 N HN 0.510 nan 8.380 nan 0.000 0.565 311 M N -0.799 118.820 119.600 0.032 0.000 2.630 311 M HA 0.046 4.525 4.480 -0.001 0.000 0.254 311 M C 0.094 176.411 176.300 0.028 0.000 1.092 311 M CA 0.911 56.230 55.300 0.031 0.000 1.087 311 M CB -0.913 31.715 32.600 0.046 0.000 1.453 311 M HN 0.527 nan 8.290 nan 0.000 0.509 312 E N 0.292 120.510 120.200 0.032 0.000 2.403 312 E HA 0.283 4.632 4.350 -0.001 0.000 0.188 312 E C 1.315 177.924 176.600 0.014 0.000 1.056 312 E CA 0.242 56.660 56.400 0.029 0.000 0.892 312 E CB -0.311 29.416 29.700 0.046 0.000 1.049 312 E HN 0.590 nan 8.360 nan 0.000 0.465 313 G N 1.603 110.405 108.800 0.004 0.000 2.166 313 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 313 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 313 G C 0.333 175.228 174.900 -0.008 0.000 0.986 313 G CA 0.941 46.039 45.100 -0.003 0.000 0.683 313 G HN 0.267 nan 8.290 nan 0.000 0.527 314 T N 0.634 115.179 114.554 -0.015 0.000 2.767 314 T HA 0.444 4.794 4.350 -0.001 0.000 0.288 314 T C 0.411 175.081 174.700 -0.050 0.000 0.963 314 T CA -0.310 61.778 62.100 -0.020 0.000 1.019 314 T CB 1.632 70.498 68.868 -0.004 0.000 0.923 314 T HN 0.436 nan 8.240 nan 0.000 0.468 315 K N 3.878 124.256 120.400 -0.037 0.000 2.412 315 K HA 0.190 4.510 4.320 -0.001 0.000 0.284 315 K C 0.911 177.475 176.600 -0.061 0.000 1.046 315 K CA -0.097 56.163 56.287 -0.045 0.000 0.999 315 K CB 0.085 32.572 32.500 -0.022 0.000 0.941 315 K HN 0.734 nan 8.250 nan 0.000 0.474 316 I N 0.548 121.056 120.570 -0.103 0.000 4.154 316 I HA 0.417 4.587 4.170 -0.001 0.000 0.334 316 I C 0.454 176.539 176.117 -0.053 0.000 1.371 316 I CA -0.510 60.720 61.300 -0.116 0.000 1.110 316 I CB 0.875 38.687 38.000 -0.314 0.000 1.085 316 I HN 0.671 nan 8.210 nan 0.000 0.398 317 G N 0.672 109.456 108.800 -0.025 0.000 2.341 317 G HA2 0.526 4.486 3.960 -0.001 0.000 0.299 317 G HA3 0.526 4.486 3.960 -0.001 0.000 0.299 317 G C -1.390 173.534 174.900 0.040 0.000 1.274 317 G CA -0.203 44.914 45.100 0.029 0.000 0.853 317 G HN 0.045 nan 8.290 nan 0.000 0.493 318 T N -0.677 113.926 114.554 0.081 0.000 2.894 318 T HA 0.556 4.905 4.350 -0.001 0.000 0.309 318 T C -0.775 173.978 174.700 0.088 0.000 1.208 318 T CA -0.489 61.657 62.100 0.076 0.000 1.016 318 T CB 1.983 70.900 68.868 0.081 0.000 1.192 318 T HN 0.701 nan 8.240 nan 0.000 0.491 319 V N 2.943 122.886 119.914 0.049 0.000 2.488 319 V HA 0.272 4.392 4.120 -0.001 0.000 0.277 319 V C 1.671 177.757 176.094 -0.013 0.000 1.046 319 V CA 0.158 62.473 62.300 0.026 0.000 0.986 319 V CB 0.958 32.785 31.823 0.007 0.000 0.989 319 V HN 1.220 nan 8.190 nan 0.000 0.475 320 T N 0.464 115.027 114.554 0.014 0.000 3.039 320 T HA 0.175 4.525 4.350 -0.001 0.000 0.250 320 T C 0.693 175.357 174.700 -0.060 0.000 1.052 320 T CA 0.144 62.228 62.100 -0.028 0.000 1.125 320 T CB 0.317 69.239 68.868 0.091 0.000 0.908 320 T HN 0.506 nan 8.240 nan 0.000 0.473 321 S N -0.794 114.897 115.700 -0.016 0.000 2.588 321 S HA 0.782 5.252 4.470 -0.001 0.000 0.275 321 S C -0.567 174.025 174.600 -0.013 0.000 1.130 321 S CA -0.473 57.722 58.200 -0.008 0.000 0.855 321 S CB 2.066 65.283 63.200 0.029 0.000 1.116 321 S HN 0.908 nan 8.310 nan 0.000 0.472 322 G N 0.044 108.830 108.800 -0.024 0.000 2.498 322 G HA2 0.555 4.514 3.960 -0.001 0.000 0.301 322 G HA3 0.555 4.514 3.960 -0.001 0.000 0.301 322 G C -1.010 173.860 174.900 -0.050 0.000 1.577 322 G CA 0.010 45.083 45.100 -0.045 0.000 0.868 322 G HN 1.707 nan 8.290 nan 0.000 0.599 323 C N -0.407 118.845 119.300 -0.080 0.000 3.197 323 C HA 0.802 5.261 4.460 -0.001 0.000 0.343 323 C C -3.149 171.781 174.990 -0.100 0.000 1.291 323 C CA -1.321 57.654 59.018 -0.072 0.000 1.191 323 C CB 0.964 28.664 27.740 -0.067 0.000 1.444 323 C HN 0.693 nan 8.230 nan 0.000 0.468 324 P HA 0.297 nan 4.420 nan 0.000 0.269 324 P C -0.544 176.675 177.300 -0.136 0.000 1.215 324 P CA 0.382 63.429 63.100 -0.088 0.000 0.780 324 P CB 0.695 32.370 31.700 -0.042 0.000 0.898 325 S N 2.772 118.376 115.700 -0.160 0.000 2.420 325 S HA 0.383 4.853 4.470 -0.001 0.000 0.313 325 S C -1.853 172.622 174.600 -0.208 0.000 1.079 325 S CA -1.806 56.272 58.200 -0.204 0.000 1.104 325 S CB 0.268 63.359 63.200 -0.181 0.000 0.969 325 S HN 0.172 nan 8.310 nan 0.000 0.471 326 P HA -0.007 nan 4.420 nan 0.000 0.217 326 P C 1.306 178.527 177.300 -0.131 0.000 1.151 326 P CA 0.803 63.738 63.100 -0.275 0.000 0.828 326 P CB 0.163 31.581 31.700 -0.469 0.000 0.788 327 S N -0.844 114.802 115.700 -0.089 0.000 2.402 327 S HA 0.002 4.472 4.470 -0.001 0.000 0.229 327 S C 1.559 176.160 174.600 0.002 0.000 1.021 327 S CA 1.021 59.240 58.200 0.031 0.000 0.974 327 S CB -0.679 62.597 63.200 0.126 0.000 0.800 327 S HN 0.126 nan 8.310 nan 0.000 0.484 328 L N 0.159 121.367 121.223 -0.025 0.000 2.664 328 L HA 0.303 4.643 4.340 -0.001 0.000 0.233 328 L C 0.151 177.004 176.870 -0.029 0.000 1.113 328 L CA -0.037 54.792 54.840 -0.017 0.000 0.896 328 L CB -0.096 41.957 42.059 -0.009 0.000 1.163 328 L HN 0.073 nan 8.230 nan 0.000 0.497 329 K N 1.081 121.453 120.400 -0.048 0.000 3.148 329 K HA -0.172 4.147 4.320 -0.001 0.000 0.267 329 K C -0.459 176.117 176.600 -0.042 0.000 0.996 329 K CA 0.674 56.935 56.287 -0.044 0.000 0.737 329 K CB -0.944 31.539 32.500 -0.028 0.000 1.308 329 K HN 0.175 nan 8.250 nan 0.000 0.470 330 K N 0.003 120.368 120.400 -0.059 0.000 2.466 330 K HA 0.375 4.694 4.320 -0.001 0.000 0.277 330 K C -0.622 175.923 176.600 -0.091 0.000 1.039 330 K CA -0.953 55.300 56.287 -0.057 0.000 0.904 330 K CB 0.978 33.453 32.500 -0.041 0.000 1.506 330 K HN -0.042 nan 8.250 nan 0.000 0.441 331 N N 1.158 119.804 118.700 -0.089 0.000 2.421 331 N HA 0.370 5.110 4.740 -0.001 0.000 0.285 331 N C -0.505 174.890 175.510 -0.191 0.000 1.027 331 N CA -0.377 52.602 53.050 -0.118 0.000 0.918 331 N CB 1.696 40.139 38.487 -0.073 0.000 1.152 331 N HN 0.346 nan 8.380 nan 0.000 0.485 332 V N -1.158 118.571 119.914 -0.309 0.000 2.815 332 V HA 1.057 5.177 4.120 -0.001 0.000 0.314 332 V C -0.122 175.768 176.094 -0.341 0.000 1.064 332 V CA -0.901 61.054 62.300 -0.574 0.000 0.952 332 V CB 1.333 32.427 31.823 -1.215 0.000 1.020 332 V HN 0.785 nan 8.190 nan 0.000 0.439 333 A N 3.603 126.296 122.820 -0.211 0.000 2.586 333 A HA 0.883 5.203 4.320 -0.001 0.000 0.290 333 A C -1.147 176.522 177.584 0.142 0.000 1.086 333 A CA -0.832 51.192 52.037 -0.022 0.000 0.665 333 A CB 1.884 20.876 19.000 -0.013 0.000 1.279 333 A HN 0.918 nan 8.150 nan 0.000 0.423 334 M N 0.253 119.909 119.600 0.093 0.000 2.530 334 M HA 0.675 5.154 4.480 -0.001 0.000 0.307 334 M C 0.181 176.495 176.300 0.024 0.000 1.161 334 M CA -0.212 55.135 55.300 0.077 0.000 0.903 334 M CB 2.602 35.243 32.600 0.069 0.000 1.711 334 M HN 1.262 nan 8.290 nan 0.000 0.451 335 G N 0.895 109.672 108.800 -0.037 0.000 2.559 335 G HA2 0.613 4.573 3.960 -0.001 0.000 0.291 335 G HA3 0.613 4.573 3.960 -0.001 0.000 0.291 335 G C -2.518 172.302 174.900 -0.132 0.000 1.424 335 G CA -0.476 44.623 45.100 -0.001 0.000 0.786 335 G HN 0.517 nan 8.290 nan 0.000 0.485 336 Y N -0.178 120.138 120.300 0.025 0.000 2.341 336 Y HA 0.618 5.167 4.550 -0.001 0.000 0.337 336 Y C 0.590 176.504 175.900 0.023 0.000 1.014 336 Y CA -0.547 57.571 58.100 0.030 0.000 1.111 336 Y CB 2.184 40.661 38.460 0.029 0.000 1.194 336 Y HN 0.569 nan 8.280 nan 0.000 0.462 337 V N 1.045 121.040 119.914 0.135 0.000 3.114 337 V HA 0.741 4.860 4.120 -0.001 0.000 0.308 337 V C -3.097 173.087 176.094 0.151 0.000 1.168 337 V CA -3.357 59.005 62.300 0.104 0.000 1.015 337 V CB 2.162 34.025 31.823 0.065 0.000 1.050 337 V HN 0.426 nan 8.190 nan 0.000 0.433 338 P HA 0.252 nan 4.420 nan 0.000 0.269 338 P C 0.774 178.195 177.300 0.202 0.000 1.215 338 P CA 0.010 63.235 63.100 0.209 0.000 0.780 338 P CB 0.565 32.434 31.700 0.283 0.000 0.898 339 C N 1.558 120.935 119.300 0.129 0.000 2.403 339 C HA -0.147 4.313 4.460 -0.001 0.000 0.277 339 C C 2.239 177.257 174.990 0.047 0.000 1.248 339 C CA 1.309 60.376 59.018 0.083 0.000 1.762 339 C CB -1.430 26.344 27.740 0.058 0.000 2.014 339 C HN 0.668 nan 8.230 nan 0.000 0.486 340 E N -0.400 119.802 120.200 0.004 0.000 2.516 340 E HA -0.145 4.205 4.350 -0.001 0.000 0.199 340 E C 0.553 177.007 176.600 -0.243 0.000 1.069 340 E CA 1.179 57.497 56.400 -0.136 0.000 0.876 340 E CB -0.457 29.107 29.700 -0.228 0.000 0.843 340 E HN 0.811 nan 8.360 nan 0.000 0.530 341 Y N 0.798 121.108 120.300 0.017 0.000 2.500 341 Y HA 0.128 4.678 4.550 -0.001 0.000 0.246 341 Y C 2.063 177.969 175.900 0.010 0.000 1.146 341 Y CA 0.332 58.441 58.100 0.015 0.000 1.230 341 Y CB 0.941 39.414 38.460 0.021 0.000 1.214 341 Y HN 0.139 nan 8.280 nan 0.000 0.526 342 S N -0.306 115.468 115.700 0.124 0.000 2.593 342 S HA 0.053 4.523 4.470 -0.001 0.000 0.217 342 S C 0.822 175.442 174.600 0.033 0.000 0.966 342 S CA -0.442 57.800 58.200 0.070 0.000 0.914 342 S CB -0.128 63.101 63.200 0.048 0.000 0.776 342 S HN 0.277 nan 8.310 nan 0.000 0.523 343 R N 2.515 123.031 120.500 0.027 0.000 2.401 343 R HA 0.248 4.588 4.340 -0.001 0.000 0.299 343 R C -2.851 173.455 176.300 0.010 0.000 1.064 343 R CA -1.803 54.301 56.100 0.008 0.000 1.000 343 R CB 0.052 30.350 30.300 -0.003 0.000 0.973 343 R HN 0.105 nan 8.270 nan 0.000 0.438 344 P HA -0.006 nan 4.420 nan 0.000 0.264 344 P C 0.157 177.459 177.300 0.004 0.000 1.183 344 P CA 1.108 64.204 63.100 -0.007 0.000 0.763 344 P CB 0.845 32.530 31.700 -0.025 0.000 0.807 345 G N 1.450 110.259 108.800 0.015 0.000 2.238 345 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 345 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 345 G C 0.273 175.191 174.900 0.031 0.000 0.996 345 G CA -0.173 44.939 45.100 0.019 0.000 0.632 345 G HN 0.573 nan 8.290 nan 0.000 0.503 346 T N 4.066 118.645 114.554 0.041 0.000 2.902 346 T HA 0.496 4.846 4.350 -0.001 0.000 0.301 346 T C 0.686 175.428 174.700 0.070 0.000 1.012 346 T CA 0.368 62.508 62.100 0.066 0.000 1.151 346 T CB 0.733 69.662 68.868 0.101 0.000 0.946 346 T HN 0.176 nan 8.240 nan 0.000 0.542 347 M N 4.189 123.832 119.600 0.072 0.000 2.233 347 M HA 0.510 4.989 4.480 -0.001 0.000 0.355 347 M C -0.288 176.051 176.300 0.065 0.000 1.191 347 M CA -0.372 54.963 55.300 0.059 0.000 1.101 347 M CB 0.408 33.036 32.600 0.047 0.000 1.592 347 M HN 0.504 nan 8.290 nan 0.000 0.461 348 L N 2.613 123.859 121.223 0.040 0.000 2.403 348 L HA 0.668 5.008 4.340 -0.001 0.000 0.253 348 L C -1.077 175.795 176.870 0.004 0.000 1.045 348 L CA -0.922 53.926 54.840 0.012 0.000 0.845 348 L CB 2.401 44.457 42.059 -0.005 0.000 1.447 348 L HN 0.516 nan 8.230 nan 0.000 0.411 349 L N 1.463 122.678 121.223 -0.013 0.000 2.322 349 L HA 0.673 5.012 4.340 -0.001 0.000 0.281 349 L C -1.053 175.811 176.870 -0.011 0.000 1.014 349 L CA -0.822 54.014 54.840 -0.008 0.000 0.815 349 L CB 2.067 44.121 42.059 -0.008 0.000 1.247 349 L HN 0.190 nan 8.230 nan 0.000 0.421 350 V N 2.055 121.967 119.914 -0.002 0.000 2.487 350 V HA 0.260 4.379 4.120 -0.001 0.000 0.298 350 V C -0.164 175.933 176.094 0.004 0.000 1.028 350 V CA -0.858 61.442 62.300 0.001 0.000 0.860 350 V CB 1.885 33.712 31.823 0.006 0.000 0.991 350 V HN 0.680 nan 8.190 nan 0.000 0.427 351 E N 2.950 123.154 120.200 0.007 0.000 2.265 351 E HA 0.355 4.705 4.350 -0.001 0.000 0.272 351 E C -1.046 175.561 176.600 0.013 0.000 1.067 351 E CA -0.064 56.342 56.400 0.010 0.000 0.900 351 E CB 1.442 31.150 29.700 0.012 0.000 1.017 351 E HN 0.442 nan 8.360 nan 0.000 0.431 352 V N 4.939 124.859 119.914 0.011 0.000 2.482 352 V HA 0.234 4.354 4.120 -0.001 0.000 0.295 352 V C 0.157 176.258 176.094 0.011 0.000 1.026 352 V CA -0.786 61.521 62.300 0.011 0.000 0.856 352 V CB 1.329 33.156 31.823 0.007 0.000 1.001 352 V HN 0.808 nan 8.190 nan 0.000 0.424 353 R N 4.219 124.728 120.500 0.015 0.000 3.333 353 R HA -0.169 4.170 4.340 -0.001 0.000 0.256 353 R C 0.501 176.808 176.300 0.012 0.000 1.010 353 R CA 0.198 56.307 56.100 0.014 0.000 0.680 353 R CB -0.936 29.371 30.300 0.012 0.000 1.102 353 R HN 0.717 nan 8.270 nan 0.000 0.440 354 R N -1.668 118.840 120.500 0.013 0.000 3.770 354 R HA -0.152 4.188 4.340 -0.001 0.000 0.305 354 R C -0.634 175.671 176.300 0.008 0.000 1.184 354 R CA 1.517 57.623 56.100 0.010 0.000 0.823 354 R CB -1.376 28.929 30.300 0.009 0.000 1.285 354 R HN 0.570 nan 8.270 nan 0.000 0.499 355 K N 0.404 120.809 120.400 0.008 0.000 2.543 355 K HA 0.272 4.591 4.320 -0.001 0.000 0.255 355 K C -0.173 176.431 176.600 0.006 0.000 0.934 355 K CA -0.718 55.573 56.287 0.006 0.000 0.810 355 K CB 2.193 34.697 32.500 0.006 0.000 1.315 355 K HN 0.013 nan 8.250 nan 0.000 0.433 356 Q N 1.844 121.647 119.800 0.005 0.000 2.421 356 Q HA 0.130 4.469 4.340 -0.001 0.000 0.255 356 Q C -0.526 175.476 176.000 0.005 0.000 1.013 356 Q CA 0.265 56.071 55.803 0.004 0.000 0.895 356 Q CB 0.914 29.654 28.738 0.003 0.000 1.271 356 Q HN 0.351 nan 8.270 nan 0.000 0.460 357 Q N 1.053 120.855 119.800 0.004 0.000 2.379 357 Q HA 0.373 4.712 4.340 -0.001 0.000 0.278 357 Q C -1.283 174.721 176.000 0.007 0.000 1.068 357 Q CA -0.929 54.877 55.803 0.005 0.000 0.816 357 Q CB 2.280 31.020 28.738 0.004 0.000 1.387 357 Q HN 0.487 nan 8.270 nan 0.000 0.413 358 M N 1.915 121.520 119.600 0.009 0.000 2.228 358 M HA 0.486 4.966 4.480 -0.001 0.000 0.351 358 M C -1.118 175.191 176.300 0.014 0.000 1.233 358 M CA 0.403 55.711 55.300 0.012 0.000 1.129 358 M CB 0.803 33.411 32.600 0.013 0.000 1.604 358 M HN 0.715 nan 8.290 nan 0.000 0.457 359 A N 3.862 126.693 122.820 0.019 0.000 2.556 359 A HA 0.845 5.165 4.320 -0.001 0.000 0.294 359 A C -1.709 175.896 177.584 0.036 0.000 1.091 359 A CA -0.784 51.269 52.037 0.026 0.000 0.704 359 A CB 1.716 20.731 19.000 0.025 0.000 1.300 359 A HN 0.804 nan 8.150 nan 0.000 0.406 360 V N 1.317 121.259 119.914 0.046 0.000 2.656 360 V HA 0.587 4.707 4.120 -0.001 0.000 0.307 360 V C -0.620 175.512 176.094 0.063 0.000 1.051 360 V CA -0.554 61.777 62.300 0.051 0.000 0.893 360 V CB 1.860 33.711 31.823 0.046 0.000 0.999 360 V HN 0.856 nan 8.190 nan 0.000 0.426 361 V N 5.863 125.809 119.914 0.054 0.000 2.521 361 V HA 0.371 4.491 4.120 -0.001 0.000 0.286 361 V C 0.523 176.634 176.094 0.028 0.000 1.034 361 V CA 0.562 62.889 62.300 0.046 0.000 1.045 361 V CB 1.215 33.062 31.823 0.040 0.000 0.974 361 V HN 0.951 nan 8.190 nan 0.000 0.480 362 S N 4.556 120.263 115.700 0.012 0.000 2.513 362 S HA 0.473 4.942 4.470 -0.001 0.000 0.299 362 S C -0.416 174.073 174.600 -0.186 0.000 1.087 362 S CA -0.889 57.284 58.200 -0.045 0.000 1.012 362 S CB 1.276 64.502 63.200 0.044 0.000 1.044 362 S HN 0.781 nan 8.310 nan 0.000 0.485 363 K N 3.566 123.864 120.400 -0.171 0.000 2.326 363 K HA 0.281 4.600 4.320 -0.001 0.000 0.275 363 K C -0.416 175.967 176.600 -0.361 0.000 1.018 363 K CA 0.064 56.229 56.287 -0.203 0.000 0.962 363 K CB 0.395 32.818 32.500 -0.129 0.000 0.953 363 K HN 0.670 nan 8.250 nan 0.000 0.475 364 M N 4.629 124.007 119.600 -0.370 0.000 2.537 364 M HA 0.354 4.834 4.480 -0.001 0.000 0.324 364 M C -1.918 174.244 176.300 -0.230 0.000 1.187 364 M CA -2.131 52.898 55.300 -0.452 0.000 0.993 364 M CB 1.541 33.886 32.600 -0.424 0.000 1.666 364 M HN 0.586 nan 8.290 nan 0.000 0.461 365 P HA 0.106 nan 4.420 nan 0.000 0.271 365 P C -0.311 176.890 177.300 -0.166 0.000 1.218 365 P CA 0.021 63.030 63.100 -0.150 0.000 0.780 365 P CB 0.497 32.158 31.700 -0.065 0.000 0.901 366 F N 0.316 120.248 119.950 -0.030 0.000 2.234 366 F HA -0.041 4.486 4.527 -0.001 0.000 0.299 366 F C 1.319 177.101 175.800 -0.031 0.000 1.087 366 F CA 0.766 58.751 58.000 -0.025 0.000 1.340 366 F CB -0.220 38.770 39.000 -0.016 0.000 1.031 366 F HN -0.033 nan 8.300 nan 0.000 0.500 367 V N 1.339 121.344 119.914 0.153 0.000 2.378 367 V HA 0.307 4.426 4.120 -0.001 0.000 0.288 367 V C -2.173 173.904 176.094 -0.029 0.000 1.016 367 V CA -2.348 59.984 62.300 0.054 0.000 0.840 367 V CB 1.282 33.139 31.823 0.057 0.000 0.994 367 V HN -0.186 nan 8.190 nan 0.000 0.431 368 P HA 0.063 nan 4.420 nan 0.000 0.264 368 P C 0.309 177.496 177.300 -0.188 0.000 1.179 368 P CA 0.372 63.400 63.100 -0.120 0.000 0.763 368 P CB 0.241 31.880 31.700 -0.101 0.000 0.806 369 T N -0.660 113.712 114.554 -0.302 0.000 2.816 369 T HA 0.301 4.650 4.350 -0.001 0.000 0.282 369 T C 0.431 174.831 174.700 -0.499 0.000 0.993 369 T CA -0.670 61.110 62.100 -0.533 0.000 0.994 369 T CB 0.535 68.805 68.868 -0.996 0.000 1.025 369 T HN 0.267 nan 8.240 nan 0.000 0.529 370 N N 0.387 118.744 118.700 -0.572 0.000 2.588 370 N HA 0.165 4.905 4.740 -0.001 0.000 0.298 370 N C -0.982 174.375 175.510 -0.255 0.000 1.718 370 N CA -0.285 52.572 53.050 -0.322 0.000 0.888 370 N CB 0.258 38.636 38.487 -0.183 0.000 1.389 370 N HN 0.665 nan 8.380 nan 0.000 0.491 371 Y N 0.213 120.338 120.300 -0.292 0.000 2.550 371 Y HA -0.056 4.493 4.550 -0.001 0.000 0.343 371 Y C 0.482 176.280 175.900 -0.170 0.000 1.245 371 Y CA -0.505 57.318 58.100 -0.461 0.000 1.462 371 Y CB 0.482 38.273 38.460 -1.114 0.000 1.340 371 Y HN 0.183 nan 8.280 nan 0.000 0.604 372 Y N 3.534 123.833 120.300 -0.000 0.000 2.518 372 Y HA 0.300 4.850 4.550 -0.001 0.000 0.344 372 Y C -0.189 175.771 175.900 0.100 0.000 0.982 372 Y CA -1.194 56.933 58.100 0.045 0.000 1.234 372 Y CB 0.013 38.512 38.460 0.065 0.000 1.114 372 Y HN 0.601 nan 8.280 nan 0.000 0.515 373 T N 4.344 118.739 114.554 -0.265 0.000 2.924 373 T HA 0.674 5.023 4.350 -0.001 0.000 0.291 373 T C -0.289 174.200 174.700 -0.351 0.000 1.045 373 T CA -0.952 60.987 62.100 -0.268 0.000 1.015 373 T CB 1.492 70.327 68.868 -0.054 0.000 1.103 373 T HN 0.548 nan 8.240 nan 0.000 0.496 374 L N 0.000 121.061 121.223 -0.270 0.000 2.949 374 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 374 L CA 0.000 54.731 54.840 -0.182 0.000 0.813 374 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 374 L HN 0.000 nan 8.230 nan 0.000 0.502