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 1hb9_1_D DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.869 176.870 -0.002 0.000 1.165 15 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 15 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 16 R N -0.604 119.894 120.500 -0.003 0.000 3.520 16 R HA -0.191 4.149 4.340 0.000 0.000 0.595 16 R C 1.240 177.536 176.300 -0.006 0.000 0.241 16 R CA 2.650 58.747 56.100 -0.004 0.000 1.835 16 R CB -2.427 27.871 30.300 -0.003 0.000 0.891 16 R HN 2.906 nan 8.270 nan 0.000 0.612 17 N N -2.121 116.575 118.700 -0.008 0.000 1.978 17 N HA -0.357 4.383 4.740 0.000 0.000 0.217 17 N C 1.666 177.167 175.510 -0.014 0.000 0.677 17 N CA 2.738 55.780 53.050 -0.012 0.000 4.021 17 N CB -1.336 37.144 38.487 -0.012 0.000 0.740 17 N HN 1.040 nan 8.380 nan 0.000 0.276 18 Q N 1.625 121.418 119.800 -0.011 0.000 2.133 18 Q HA -0.188 4.152 4.340 0.000 0.000 0.208 18 Q C 2.178 178.171 176.000 -0.011 0.000 0.991 18 Q CA 2.902 58.698 55.803 -0.012 0.000 0.867 18 Q CB -0.251 28.482 28.738 -0.008 0.000 0.911 18 Q HN 0.787 nan 8.270 nan 0.000 0.417 19 Q N -1.719 118.076 119.800 -0.009 0.000 2.212 19 Q HA 0.083 4.423 4.340 0.000 0.000 0.199 19 Q C 2.030 178.025 176.000 -0.010 0.000 0.950 19 Q CA 0.938 56.737 55.803 -0.008 0.000 0.863 19 Q CB -0.306 28.429 28.738 -0.005 0.000 0.944 19 Q HN 0.340 nan 8.270 nan 0.000 0.465 20 A N 1.828 124.641 122.820 -0.011 0.000 1.877 20 A HA -0.108 4.212 4.320 0.000 0.000 0.216 20 A C 2.231 179.804 177.584 -0.019 0.000 1.186 20 A CA 1.549 53.578 52.037 -0.013 0.000 0.620 20 A CB -0.526 18.465 19.000 -0.014 0.000 0.822 20 A HN 0.354 nan 8.150 nan 0.000 0.443 21 M N -0.621 118.964 119.600 -0.024 0.000 2.132 21 M HA -0.092 4.388 4.480 0.000 0.000 0.263 21 M C 2.537 178.822 176.300 -0.026 0.000 1.065 21 M CA 1.306 56.587 55.300 -0.032 0.000 1.122 21 M CB -0.416 32.163 32.600 -0.035 0.000 1.365 21 M HN 0.471 nan 8.290 nan 0.000 0.411 22 A N 0.517 123.326 122.820 -0.019 0.000 1.933 22 A HA -0.063 4.257 4.320 0.000 0.000 0.218 22 A C 2.360 179.937 177.584 -0.012 0.000 1.175 22 A CA 1.969 53.997 52.037 -0.014 0.000 0.628 22 A CB -0.848 18.146 19.000 -0.011 0.000 0.814 22 A HN 0.497 nan 8.150 nan 0.000 0.444 23 A N 0.137 122.951 122.820 -0.011 0.000 1.897 23 A HA -0.159 4.161 4.320 0.000 0.000 0.215 23 A C 1.941 179.520 177.584 -0.008 0.000 1.181 23 A CA 1.907 53.940 52.037 -0.006 0.000 0.620 23 A CB -0.737 18.260 19.000 -0.004 0.000 0.821 23 A HN 0.649 nan 8.150 nan 0.000 0.443 24 N N 0.190 118.881 118.700 -0.015 0.000 2.043 24 N HA -0.142 4.598 4.740 0.000 0.000 0.193 24 N C 1.583 177.082 175.510 -0.019 0.000 1.037 24 N CA 1.931 54.969 53.050 -0.019 0.000 0.851 24 N CB -0.409 38.057 38.487 -0.034 0.000 1.027 24 N HN 0.455 nan 8.380 nan 0.000 0.422 25 L N -0.074 121.135 121.223 -0.022 0.000 2.012 25 L HA -0.191 4.149 4.340 0.000 0.000 0.210 25 L C 2.676 179.540 176.870 -0.011 0.000 1.073 25 L CA 1.183 56.012 54.840 -0.020 0.000 0.748 25 L CB -0.717 41.330 42.059 -0.020 0.000 0.891 25 L HN 0.364 nan 8.230 nan 0.000 0.431 26 Q N 0.209 120.005 119.800 -0.007 0.000 2.084 26 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 26 Q C 2.314 178.315 176.000 0.002 0.000 0.978 26 Q CA 2.062 57.864 55.803 -0.003 0.000 0.844 26 Q CB -0.209 28.528 28.738 -0.002 0.000 0.898 26 Q HN 0.519 nan 8.270 nan 0.000 0.426 27 A N 0.885 123.707 122.820 0.004 0.000 1.902 27 A HA -0.192 4.128 4.320 0.000 0.000 0.217 27 A C 2.194 179.786 177.584 0.014 0.000 1.181 27 A CA 1.570 53.614 52.037 0.012 0.000 0.623 27 A CB -0.598 18.412 19.000 0.016 0.000 0.818 27 A HN 0.371 nan 8.150 nan 0.000 0.443 28 R N -0.325 120.178 120.500 0.005 0.000 2.083 28 R HA -0.212 4.128 4.340 0.000 0.000 0.237 28 R C 2.316 178.619 176.300 0.006 0.000 1.137 28 R CA 2.025 58.128 56.100 0.005 0.000 0.951 28 R CB -0.372 29.924 30.300 -0.006 0.000 0.851 28 R HN 0.695 nan 8.270 nan 0.000 0.434 29 Q N 0.114 119.915 119.800 0.002 0.000 2.096 29 Q HA -0.157 4.184 4.340 0.000 0.000 0.204 29 Q C 2.233 178.236 176.000 0.005 0.000 0.982 29 Q CA 1.862 57.666 55.803 0.001 0.000 0.850 29 Q CB -0.113 28.624 28.738 -0.002 0.000 0.901 29 Q HN 0.452 nan 8.270 nan 0.000 0.422 30 I N -0.183 120.392 120.570 0.009 0.000 2.226 30 I HA -0.253 3.917 4.170 0.000 0.000 0.245 30 I C 2.193 178.322 176.117 0.020 0.000 1.100 30 I CA 0.781 62.089 61.300 0.013 0.000 1.374 30 I CB -0.272 37.736 38.000 0.013 0.000 1.057 30 I HN 0.057 nan 8.210 nan 0.000 0.413 31 V N 1.195 121.125 119.914 0.027 0.000 2.295 31 V HA -0.282 3.838 4.120 0.000 0.000 0.246 31 V C 2.412 178.522 176.094 0.027 0.000 1.049 31 V CA 1.788 64.112 62.300 0.039 0.000 1.024 31 V CB -0.458 31.394 31.823 0.047 0.000 0.648 31 V HN 0.362 nan 8.190 nan 0.000 0.447 32 L N -0.382 120.848 121.223 0.011 0.000 2.083 32 L HA -0.246 4.094 4.340 0.000 0.000 0.209 32 L C 2.627 179.491 176.870 -0.010 0.000 1.083 32 L CA 2.019 56.855 54.840 -0.006 0.000 0.752 32 L CB -0.560 41.491 42.059 -0.013 0.000 0.899 32 L HN 0.442 nan 8.230 nan 0.000 0.433 33 Q N -0.618 119.182 119.800 0.001 0.000 2.083 33 Q HA -0.191 4.149 4.340 0.000 0.000 0.198 33 Q C 2.146 178.158 176.000 0.019 0.000 0.969 33 Q CA 1.129 56.935 55.803 0.004 0.000 0.838 33 Q CB 0.219 28.960 28.738 0.005 0.000 0.900 33 Q HN 0.469 nan 8.270 nan 0.000 0.436 34 Q N 0.267 120.084 119.800 0.027 0.000 2.297 34 Q HA 0.059 4.399 4.340 0.000 0.000 0.203 34 Q C 1.234 177.274 176.000 0.068 0.000 0.931 34 Q CA 0.706 56.534 55.803 0.042 0.000 0.885 34 Q CB 0.480 29.236 28.738 0.031 0.000 0.991 34 Q HN 0.333 nan 8.270 nan 0.000 0.498 35 S N -0.482 115.258 115.700 0.067 0.000 2.634 35 S HA 0.315 4.785 4.470 0.000 0.000 0.261 35 S C -0.596 174.072 174.600 0.113 0.000 1.271 35 S CA -0.621 57.637 58.200 0.097 0.000 0.985 35 S CB 0.775 64.026 63.200 0.085 0.000 0.968 35 S HN 0.209 nan 8.310 nan 0.000 0.568 36 Y N 1.667 121.971 120.300 0.007 0.000 2.361 36 Y HA 0.508 5.058 4.550 0.000 0.000 0.337 36 Y C -2.576 173.288 175.900 -0.061 0.000 0.965 36 Y CA -2.252 55.835 58.100 -0.021 0.000 1.091 36 Y CB 2.048 40.498 38.460 -0.017 0.000 1.182 36 Y HN 0.556 nan 8.280 nan 0.000 0.450 37 P HA 0.196 nan 4.420 nan 0.000 0.276 37 P C -1.284 175.873 177.300 -0.239 0.000 1.230 37 P CA 0.096 63.000 63.100 -0.327 0.000 0.776 37 P CB 1.954 33.443 31.700 -0.352 0.000 0.888 38 V N 4.841 124.549 119.914 -0.343 0.000 2.789 38 V HA 0.452 4.572 4.120 0.000 0.000 0.311 38 V C 0.086 175.998 176.094 -0.303 0.000 1.073 38 V CA -0.764 61.328 62.300 -0.346 0.000 0.921 38 V CB 2.442 33.873 31.823 -0.652 0.000 1.009 38 V HN 0.523 nan 8.190 nan 0.000 0.426 39 I N 3.569 124.099 120.570 -0.067 0.000 2.418 39 I HA 0.612 4.782 4.170 0.000 0.000 0.287 39 I C -0.721 175.520 176.117 0.206 0.000 1.008 39 I CA -0.079 61.272 61.300 0.085 0.000 1.104 39 I CB 1.471 39.512 38.000 0.070 0.000 1.264 39 I HN 0.828 nan 8.210 nan 0.000 0.438 40 Q N 6.573 126.580 119.800 0.344 0.000 2.331 40 Q HA 0.302 4.642 4.340 0.000 0.000 0.272 40 Q C -1.355 174.870 176.000 0.376 0.000 1.062 40 Q CA -0.758 55.267 55.803 0.371 0.000 0.806 40 Q CB 2.224 31.184 28.738 0.370 0.000 1.312 40 Q HN 0.722 nan 8.270 nan 0.000 0.431 41 Q N 2.099 122.056 119.800 0.261 0.000 2.311 41 Q HA 0.160 4.500 4.340 0.000 0.000 0.272 41 Q C 0.162 176.174 176.000 0.021 0.000 1.012 41 Q CA 0.144 55.896 55.803 -0.085 0.000 0.891 41 Q CB 0.951 29.562 28.738 -0.212 0.000 1.201 41 Q HN 0.646 nan 8.270 nan 0.000 0.391 42 V N 0.087 120.009 119.914 0.013 0.000 3.572 42 V HA 0.432 4.552 4.120 0.000 0.000 0.260 42 V C 0.078 176.187 176.094 0.026 0.000 1.324 42 V CA 0.407 62.744 62.300 0.062 0.000 1.068 42 V CB 0.404 32.305 31.823 0.130 0.000 0.837 42 V HN 0.832 nan 8.190 nan 0.000 0.450 43 E N -0.697 119.497 120.200 -0.009 0.000 2.400 43 E HA 0.492 4.842 4.350 0.000 0.000 0.285 43 E C -1.543 175.009 176.600 -0.081 0.000 1.005 43 E CA -0.139 56.255 56.400 -0.010 0.000 0.816 43 E CB 2.257 32.006 29.700 0.080 0.000 1.220 43 E HN 0.220 nan 8.360 nan 0.000 0.426 44 T N 2.385 116.825 114.554 -0.189 0.000 2.912 44 T HA 0.554 4.904 4.350 0.000 0.000 0.299 44 T C -1.738 172.664 174.700 -0.498 0.000 1.052 44 T CA -0.318 61.574 62.100 -0.348 0.000 0.996 44 T CB 1.665 70.401 68.868 -0.220 0.000 1.070 44 T HN 0.500 nan 8.240 nan 0.000 0.465 45 Q N 1.916 121.226 119.800 -0.817 0.000 2.386 45 Q HA 0.578 4.918 4.340 0.000 0.000 0.274 45 Q C -1.764 173.935 176.000 -0.502 0.000 1.011 45 Q CA -0.627 54.780 55.803 -0.660 0.000 0.867 45 Q CB 2.170 30.425 28.738 -0.804 0.000 1.409 45 Q HN 0.670 nan 8.270 nan 0.000 0.395 46 T N 3.491 117.909 114.554 -0.226 0.000 2.841 46 T HA 0.818 5.168 4.350 0.000 0.000 0.283 46 T C -1.168 173.541 174.700 0.016 0.000 1.000 46 T CA -0.392 61.611 62.100 -0.161 0.000 0.977 46 T CB 0.524 69.303 68.868 -0.149 0.000 0.979 46 T HN 0.474 nan 8.240 nan 0.000 0.446 47 F N -0.582 119.269 119.950 -0.165 0.000 2.779 47 F HA 0.735 5.263 4.527 0.000 0.000 0.316 47 F C -1.820 173.961 175.800 -0.032 0.000 1.164 47 F CA -1.334 56.635 58.000 -0.052 0.000 0.924 47 F CB 1.127 40.160 39.000 0.055 0.000 1.348 47 F HN 0.344 nan 8.300 nan 0.000 0.467 48 D N 2.253 122.736 120.400 0.138 0.000 2.425 48 D HA 0.371 5.011 4.640 0.000 0.000 0.240 48 D C -1.958 174.485 176.300 0.239 0.000 1.080 48 D CA -2.499 51.532 54.000 0.052 0.000 0.836 48 D CB 2.326 43.178 40.800 0.087 0.000 1.125 48 D HN 0.317 nan 8.370 nan 0.000 0.525 49 P HA -0.108 nan 4.420 nan 0.000 0.229 49 P C 0.945 178.373 177.300 0.213 0.000 1.150 49 P CA 0.458 63.718 63.100 0.267 0.000 0.765 49 P CB 0.268 31.999 31.700 0.052 0.000 0.783 50 A N 0.118 123.049 122.820 0.185 0.000 2.015 50 A HA -0.136 4.184 4.320 0.000 0.000 0.219 50 A C 2.123 179.781 177.584 0.123 0.000 1.163 50 A CA 1.308 53.435 52.037 0.151 0.000 0.646 50 A CB -0.757 18.321 19.000 0.131 0.000 0.806 50 A HN 0.156 nan 8.150 nan 0.000 0.448 51 N N -0.472 118.311 118.700 0.139 0.000 2.439 51 N HA 0.067 4.807 4.740 0.000 0.000 0.176 51 N C 0.449 176.001 175.510 0.069 0.000 1.029 51 N CA 0.874 53.986 53.050 0.103 0.000 0.886 51 N CB 0.169 38.724 38.487 0.113 0.000 1.057 51 N HN 0.748 nan 8.380 nan 0.000 0.437 52 R N -1.255 119.311 120.500 0.110 0.000 2.663 52 R HA 0.485 4.825 4.340 0.000 0.000 0.267 52 R C -0.625 175.670 176.300 -0.008 0.000 1.038 52 R CA -0.565 55.504 56.100 -0.053 0.000 0.886 52 R CB 0.948 31.116 30.300 -0.219 0.000 1.249 52 R HN -0.053 nan 8.270 nan 0.000 0.463 53 S N -0.694 114.918 115.700 -0.147 0.000 2.800 53 S HA 0.190 4.660 4.470 0.000 0.000 0.266 53 S C -0.306 174.299 174.600 0.008 0.000 1.029 53 S CA -0.261 57.982 58.200 0.072 0.000 1.302 53 S CB 0.815 64.135 63.200 0.200 0.000 1.212 53 S HN 0.235 nan 8.310 nan 0.000 0.683 54 V N 2.852 122.534 119.914 -0.387 0.000 2.448 54 V HA 0.677 4.797 4.120 0.000 0.000 0.295 54 V C -1.351 174.336 176.094 -0.680 0.000 1.025 54 V CA -0.437 61.671 62.300 -0.321 0.000 0.859 54 V CB 1.014 32.696 31.823 -0.236 0.000 0.988 54 V HN 0.424 nan 8.190 nan 0.000 0.431 55 F N 2.133 122.007 119.950 -0.126 0.000 2.565 55 F HA 0.504 5.031 4.527 0.000 0.000 0.313 55 F C -0.087 175.630 175.800 -0.140 0.000 1.091 55 F CA -0.825 57.104 58.000 -0.119 0.000 0.915 55 F CB 1.971 40.918 39.000 -0.088 0.000 1.208 55 F HN 0.383 nan 8.300 nan 0.000 0.453 56 D N 2.670 123.100 120.400 0.049 0.000 2.441 56 D HA 0.361 5.001 4.640 0.000 0.000 0.231 56 D C -1.163 175.140 176.300 0.005 0.000 1.073 56 D CA -0.094 53.892 54.000 -0.023 0.000 0.850 56 D CB 1.657 42.419 40.800 -0.063 0.000 1.062 56 D HN 0.219 nan 8.370 nan 0.000 0.524 57 V N 3.430 123.320 119.914 -0.040 0.000 2.546 57 V HA 0.271 4.391 4.120 0.000 0.000 0.284 57 V C 0.695 176.749 176.094 -0.067 0.000 1.050 57 V CA -0.238 62.043 62.300 -0.031 0.000 0.981 57 V CB 1.653 33.427 31.823 -0.081 0.000 0.990 57 V HN 0.529 nan 8.190 nan 0.000 0.474 58 T N 7.431 121.970 114.554 -0.025 0.000 2.853 58 T HA 0.363 4.713 4.350 0.000 0.000 0.317 58 T C -2.170 172.535 174.700 0.008 0.000 1.059 58 T CA -0.795 61.290 62.100 -0.025 0.000 0.954 58 T CB 1.030 69.890 68.868 -0.014 0.000 0.994 58 T HN 0.559 nan 8.240 nan 0.000 0.479 59 P HA 0.441 nan 4.420 nan 0.000 0.274 59 P C -0.653 176.700 177.300 0.089 0.000 1.256 59 P CA -0.658 62.522 63.100 0.133 0.000 0.795 59 P CB 0.676 32.575 31.700 0.331 0.000 1.038 60 A N 1.710 124.573 122.820 0.072 0.000 2.354 60 A HA 0.229 4.549 4.320 0.000 0.000 0.269 60 A C 0.311 177.864 177.584 -0.051 0.000 1.109 60 A CA -0.483 51.546 52.037 -0.013 0.000 0.800 60 A CB -0.449 18.512 19.000 -0.064 0.000 1.045 60 A HN 0.469 nan 8.150 nan 0.000 0.489 61 N N 1.415 120.084 118.700 -0.052 0.000 2.719 61 N HA 0.322 5.062 4.740 0.000 0.000 0.243 61 N C -1.165 174.282 175.510 -0.106 0.000 1.104 61 N CA 0.157 53.174 53.050 -0.056 0.000 0.981 61 N CB 1.118 39.588 38.487 -0.029 0.000 1.290 61 N HN 0.415 nan 8.380 nan 0.000 0.513 62 V N 0.511 120.307 119.914 -0.196 0.000 2.733 62 V HA 0.699 4.819 4.120 0.000 0.000 0.306 62 V C 0.730 176.721 176.094 -0.173 0.000 1.084 62 V CA 0.231 62.394 62.300 -0.227 0.000 0.905 62 V CB 1.033 32.617 31.823 -0.397 0.000 1.010 62 V HN 0.786 nan 8.190 nan 0.000 0.424 63 G N 6.245 115.032 108.800 -0.023 0.000 2.594 63 G HA2 -0.269 3.691 3.960 0.000 0.000 0.297 63 G HA3 -0.269 3.691 3.960 0.000 0.000 0.297 63 G C -0.082 174.851 174.900 0.055 0.000 1.273 63 G CA 0.580 45.723 45.100 0.073 0.000 0.974 63 G HN 1.235 nan 8.290 nan 0.000 0.552 64 I N 0.744 121.382 120.570 0.113 0.000 2.312 64 I HA 0.371 4.541 4.170 0.000 0.000 0.290 64 I C 0.386 176.564 176.117 0.100 0.000 1.008 64 I CA -0.719 60.629 61.300 0.080 0.000 1.226 64 I CB 1.572 39.618 38.000 0.076 0.000 1.371 64 I HN 0.316 nan 8.210 nan 0.000 0.468 65 V N 7.688 127.623 119.914 0.036 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.930 176.973 176.094 -0.085 0.000 1.047 65 V CA -0.296 61.987 62.300 -0.028 0.000 0.955 65 V CB 1.089 32.846 31.823 -0.110 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.948 123.300 120.400 -0.080 0.000 2.276 66 K HA 0.456 4.776 4.320 0.000 0.000 0.198 66 K C 0.814 177.331 176.600 -0.139 0.000 1.052 66 K CA 0.731 57.009 56.287 -0.015 0.000 0.984 66 K CB 0.753 33.330 32.500 0.128 0.000 0.836 66 K HN 0.902 nan 8.250 nan 0.000 0.490 67 G N 0.227 108.726 108.800 -0.501 0.000 2.315 67 G HA2 0.383 4.343 3.960 0.000 0.000 0.294 67 G HA3 0.383 4.343 3.960 0.000 0.000 0.294 67 G C -1.983 172.063 174.900 -1.423 0.000 1.300 67 G CA -0.995 43.453 45.100 -1.086 0.000 0.843 67 G HN -0.005 nan 8.290 nan 0.000 0.527 68 F N -0.490 118.869 119.950 -0.984 0.000 2.547 68 F HA 0.653 5.180 4.527 0.000 0.000 0.316 68 F C -0.233 175.434 175.800 -0.221 0.000 1.121 68 F CA -0.805 56.961 58.000 -0.389 0.000 0.911 68 F CB 2.385 41.255 39.000 -0.217 0.000 1.179 68 F HN 0.418 nan 8.300 nan 0.000 0.443 69 L N 4.510 125.992 121.223 0.431 0.000 2.265 69 L HA 0.710 5.050 4.340 0.000 0.000 0.289 69 L C -1.059 176.152 176.870 0.569 0.000 1.033 69 L CA -0.480 54.751 54.840 0.652 0.000 0.814 69 L CB 1.088 43.583 42.059 0.727 0.000 1.203 69 L HN 0.402 nan 8.230 nan 0.000 0.423 70 V N 5.652 125.866 119.914 0.499 0.000 2.347 70 V HA 0.399 4.519 4.120 0.000 0.000 0.280 70 V C 0.045 176.336 176.094 0.329 0.000 1.021 70 V CA -0.784 61.749 62.300 0.388 0.000 0.847 70 V CB 1.169 33.152 31.823 0.266 0.000 0.990 70 V HN 0.717 nan 8.190 nan 0.000 0.444 71 K N 4.277 124.786 120.400 0.181 0.000 2.183 71 K HA 0.707 5.027 4.320 0.000 0.000 0.274 71 K C -1.378 175.221 176.600 -0.002 0.000 1.009 71 K CA -0.389 55.747 56.287 -0.252 0.000 0.888 71 K CB 1.595 33.959 32.500 -0.228 0.000 1.078 71 K HN 0.500 nan 8.250 nan 0.000 0.459 72 V N 3.496 123.392 119.914 -0.030 0.000 2.531 72 V HA 0.355 4.475 4.120 0.000 0.000 0.301 72 V C -0.416 175.706 176.094 0.047 0.000 1.034 72 V CA -0.847 61.535 62.300 0.136 0.000 0.865 72 V CB 1.673 33.702 31.823 0.343 0.000 0.995 72 V HN 1.002 nan 8.190 nan 0.000 0.424 73 T N 1.310 115.881 114.554 0.028 0.000 2.887 73 T HA 0.958 5.308 4.350 0.000 0.000 0.288 73 T C -0.478 174.236 174.700 0.024 0.000 1.021 73 T CA -0.546 61.570 62.100 0.026 0.000 1.000 73 T CB 2.271 71.142 68.868 0.005 0.000 1.034 73 T HN 1.355 nan 8.240 nan 0.000 0.467 74 A N 0.858 123.727 122.820 0.082 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.954 176.721 177.584 0.151 0.000 1.071 74 A CA -0.816 51.299 52.037 0.131 0.000 0.685 74 A CB 1.278 20.459 19.000 0.302 0.000 1.285 74 A HN 1.648 nan 8.150 nan 0.000 0.405 75 A N 1.365 124.277 122.820 0.153 0.000 2.318 75 A HA 0.767 5.087 4.320 0.000 0.000 0.317 75 A C -0.832 176.821 177.584 0.115 0.000 1.159 75 A CA -0.291 51.806 52.037 0.100 0.000 0.799 75 A CB 0.378 19.407 19.000 0.047 0.000 1.194 75 A HN 0.748 nan 8.150 nan 0.000 0.479 76 I N 2.089 122.673 120.570 0.023 0.000 2.406 76 I HA 0.342 4.512 4.170 0.000 0.000 0.290 76 I C -0.256 175.768 176.117 -0.156 0.000 0.999 76 I CA -0.229 61.011 61.300 -0.099 0.000 1.124 76 I CB 2.410 40.327 38.000 -0.138 0.000 1.289 76 I HN 0.562 nan 8.210 nan 0.000 0.441 77 T N 4.431 118.877 114.554 -0.180 0.000 2.771 77 T HA 0.217 4.567 4.350 0.000 0.000 0.281 77 T C -0.063 174.482 174.700 -0.258 0.000 0.982 77 T CA -0.545 61.450 62.100 -0.175 0.000 0.978 77 T CB 0.826 69.630 68.868 -0.107 0.000 0.930 77 T HN 0.389 nan 8.240 nan 0.000 0.447 78 N N 3.197 121.757 118.700 -0.233 0.000 2.558 78 N HA 0.115 4.855 4.740 0.000 0.000 0.233 78 N C 0.194 175.624 175.510 -0.133 0.000 1.038 78 N CA -0.439 52.472 53.050 -0.232 0.000 0.934 78 N CB 0.200 38.562 38.487 -0.209 0.000 1.175 78 N HN 0.372 nan 8.380 nan 0.000 0.512 79 N N 1.528 120.152 118.700 -0.127 0.000 2.362 79 N HA -0.060 4.680 4.740 0.000 0.000 0.204 79 N C -0.236 175.241 175.510 -0.055 0.000 1.166 79 N CA 0.007 53.007 53.050 -0.083 0.000 0.831 79 N CB -0.185 38.250 38.487 -0.087 0.000 1.008 79 N HN 0.642 nan 8.380 nan 0.000 0.472 80 H N 0.031 119.034 119.070 -0.112 0.000 2.690 80 H HA 0.285 4.841 4.556 0.000 0.000 0.365 80 H C 1.205 176.493 175.328 -0.065 0.000 1.142 80 H CA 0.216 56.213 56.048 -0.084 0.000 1.417 80 H CB 1.179 30.889 29.762 -0.086 0.000 1.446 80 H HN 0.092 nan 8.280 nan 0.000 0.599 81 A N 2.170 124.789 122.820 -0.335 0.000 1.897 81 A HA -0.086 4.234 4.320 0.000 0.000 0.215 81 A C 1.812 179.421 177.584 0.042 0.000 1.181 81 A CA 1.932 53.888 52.037 -0.134 0.000 0.620 81 A CB -0.429 18.450 19.000 -0.202 0.000 0.821 81 A HN 0.856 nan 8.150 nan 0.000 0.443 82 T N -4.768 109.944 114.554 0.263 0.000 3.046 82 T HA 0.207 4.557 4.350 0.000 0.000 0.270 82 T C -0.055 174.726 174.700 0.135 0.000 0.920 82 T CA -0.294 61.914 62.100 0.179 0.000 0.874 82 T CB 0.210 69.147 68.868 0.114 0.000 1.214 82 T HN 0.167 nan 8.240 nan 0.000 0.536 83 E N 1.586 121.858 120.200 0.120 0.000 2.204 83 E HA 0.759 5.109 4.350 0.000 0.000 0.276 83 E C -0.298 176.191 176.600 -0.185 0.000 0.974 83 E CA -0.478 55.797 56.400 -0.208 0.000 0.815 83 E CB 2.036 31.398 29.700 -0.564 0.000 1.119 83 E HN 0.509 nan 8.360 nan 0.000 0.393 84 A N 1.883 124.630 122.820 -0.123 0.000 2.247 84 A HA 0.731 5.051 4.320 0.000 0.000 0.313 84 A C -0.107 177.422 177.584 -0.092 0.000 1.109 84 A CA -0.547 51.433 52.037 -0.095 0.000 0.890 84 A CB 0.793 19.762 19.000 -0.052 0.000 1.239 84 A HN 0.401 nan 8.150 nan 0.000 0.506 85 V N -4.036 115.841 119.914 -0.061 0.000 3.078 85 V HA 0.953 5.073 4.120 0.000 0.000 0.311 85 V C -0.238 175.937 176.094 0.136 0.000 1.138 85 V CA -0.328 61.985 62.300 0.022 0.000 1.007 85 V CB 1.142 32.980 31.823 0.024 0.000 1.045 85 V HN 1.912 nan 8.190 nan 0.000 0.432 86 A N 2.471 125.429 122.820 0.230 0.000 2.454 86 A HA 0.846 5.166 4.320 0.000 0.000 0.302 86 A C -0.553 177.162 177.584 0.217 0.000 1.079 86 A CA -0.992 51.199 52.037 0.256 0.000 0.731 86 A CB 1.462 20.526 19.000 0.108 0.000 1.299 86 A HN 1.109 nan 8.150 nan 0.000 0.413 87 L N 1.889 123.132 121.223 0.034 0.000 2.543 87 L HA 0.117 4.457 4.340 0.000 0.000 0.285 87 L C 1.477 178.249 176.870 -0.164 0.000 1.236 87 L CA 0.179 54.832 54.840 -0.312 0.000 0.871 87 L CB 0.381 42.292 42.059 -0.245 0.000 1.121 87 L HN 0.998 nan 8.230 nan 0.000 0.501 88 T N -1.870 112.558 114.554 -0.210 0.000 2.770 88 T HA 0.090 4.440 4.350 0.000 0.000 0.281 88 T C 0.751 175.366 174.700 -0.140 0.000 0.981 88 T CA -0.802 61.194 62.100 -0.174 0.000 0.955 88 T CB 0.798 69.529 68.868 -0.228 0.000 1.060 88 T HN 0.501 nan 8.240 nan 0.000 0.531 89 D N -0.257 120.035 120.400 -0.181 0.000 2.178 89 D HA -0.014 4.626 4.640 0.000 0.000 0.201 89 D C 1.497 177.941 176.300 0.239 0.000 0.980 89 D CA 1.046 55.029 54.000 -0.028 0.000 0.842 89 D CB -0.222 40.514 40.800 -0.106 0.000 0.948 89 D HN 0.466 nan 8.370 nan 0.000 0.472 90 F N 0.165 120.043 119.950 -0.121 0.000 2.473 90 F HA 0.246 4.773 4.527 0.000 0.000 0.294 90 F C 2.183 177.930 175.800 -0.087 0.000 1.103 90 F CA 0.414 58.378 58.000 -0.060 0.000 1.442 90 F CB -0.909 38.023 39.000 -0.112 0.000 1.097 90 F HN -0.026 nan 8.300 nan 0.000 0.547 91 G N 2.646 111.466 108.800 0.034 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.143 173.731 174.900 -0.044 0.000 1.286 91 G CA 0.546 45.585 45.100 -0.102 0.000 1.004 91 G HN 0.206 nan 8.290 nan 0.000 0.548 92 P HA 0.048 nan 4.420 nan 0.000 0.228 92 P C 1.608 178.921 177.300 0.021 0.000 1.151 92 P CA 2.265 65.375 63.100 0.018 0.000 0.770 92 P CB -0.378 31.326 31.700 0.007 0.000 0.786 93 A N 0.073 122.866 122.820 -0.045 0.000 2.172 93 A HA -0.097 4.223 4.320 0.000 0.000 0.216 93 A C 1.831 179.550 177.584 0.225 0.000 1.154 93 A CA 1.007 53.013 52.037 -0.052 0.000 0.701 93 A CB -0.984 17.876 19.000 -0.233 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.361 118.471 118.700 0.220 0.000 2.268 94 N HA 0.189 4.929 4.740 0.000 0.000 0.204 94 N C 1.032 176.687 175.510 0.242 0.000 1.124 94 N CA 0.074 53.277 53.050 0.255 0.000 0.838 94 N CB 0.123 38.741 38.487 0.219 0.000 0.994 94 N HN 0.469 nan 8.380 nan 0.000 0.489 95 L N -0.291 121.109 121.223 0.296 0.000 2.201 95 L HA 0.008 4.348 4.340 0.000 0.000 0.212 95 L C 0.298 177.352 176.870 0.307 0.000 1.105 95 L CA 0.775 55.818 54.840 0.338 0.000 0.775 95 L CB 0.248 42.527 42.059 0.367 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.333 119.688 119.914 0.178 0.000 2.384 96 V HA 0.112 4.232 4.120 0.000 0.000 0.287 96 V C 0.556 176.559 176.094 -0.151 0.000 1.020 96 V CA -0.416 61.757 62.300 -0.212 0.000 0.850 96 V CB 1.673 33.057 31.823 -0.732 0.000 0.987 96 V HN 0.219 nan 8.190 nan 0.000 0.436 97 Q N 3.631 123.350 119.800 -0.135 0.000 2.062 97 Q HA 0.152 4.492 4.340 0.000 0.000 0.196 97 Q C 0.322 176.227 176.000 -0.159 0.000 0.967 97 Q CA 1.009 56.773 55.803 -0.065 0.000 0.832 97 Q CB 0.380 29.104 28.738 -0.023 0.000 0.899 97 Q HN 0.603 nan 8.270 nan 0.000 0.442 98 R N -0.819 119.537 120.500 -0.240 0.000 2.739 98 R HA 0.620 4.960 4.340 0.000 0.000 0.271 98 R C -1.750 174.359 176.300 -0.318 0.000 1.010 98 R CA -0.516 55.432 56.100 -0.253 0.000 0.897 98 R CB 2.575 32.773 30.300 -0.170 0.000 1.236 98 R HN -0.059 nan 8.270 nan 0.000 0.466 99 V N 2.957 122.700 119.914 -0.284 0.000 2.971 99 V HA 0.696 4.816 4.120 0.000 0.000 0.309 99 V C -1.548 174.428 176.094 -0.197 0.000 1.130 99 V CA -0.598 61.534 62.300 -0.279 0.000 0.964 99 V CB 2.135 33.765 31.823 -0.321 0.000 1.029 99 V HN 0.633 nan 8.190 nan 0.000 0.427 100 I N 5.923 126.395 120.570 -0.163 0.000 2.607 100 I HA 0.420 4.590 4.170 0.000 0.000 0.290 100 I C -1.828 174.228 176.117 -0.101 0.000 1.129 100 I CA -0.659 60.554 61.300 -0.146 0.000 1.042 100 I CB 2.225 40.147 38.000 -0.131 0.000 1.242 100 I HN 0.747 nan 8.210 nan 0.000 0.421 101 Y N 6.265 126.413 120.300 -0.254 0.000 2.376 101 Y HA 0.596 5.146 4.550 0.000 0.000 0.340 101 Y C -1.715 174.056 175.900 -0.215 0.000 0.965 101 Y CA -0.694 57.293 58.100 -0.189 0.000 1.078 101 Y CB 1.293 39.650 38.460 -0.171 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.661 124.453 120.300 -0.846 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.090 175.279 175.900 -0.886 0.000 0.975 102 Y CA -1.022 56.742 58.100 -0.562 0.000 1.089 102 Y CB 1.170 39.441 38.460 -0.315 0.000 1.192 102 Y HN 0.719 nan 8.280 nan 0.000 0.454 103 D N 2.720 122.981 120.400 -0.232 0.000 2.451 103 D HA 0.234 4.874 4.640 0.000 0.000 0.259 103 D C -2.231 174.065 176.300 -0.007 0.000 1.201 103 D CA -2.299 51.659 54.000 -0.070 0.000 1.028 103 D CB 0.411 41.356 40.800 0.243 0.000 1.095 103 D HN 0.165 nan 8.370 nan 0.000 0.539 104 P HA -0.066 nan 4.420 nan 0.000 0.221 104 P C -0.009 177.305 177.300 0.023 0.000 1.145 104 P CA 1.046 64.157 63.100 0.018 0.000 0.795 104 P CB 0.102 31.819 31.700 0.028 0.000 0.775 105 D N -1.344 119.089 120.400 0.054 0.000 2.358 105 D HA 0.058 4.698 4.640 0.000 0.000 0.224 105 D C 0.260 176.595 176.300 0.059 0.000 1.123 105 D CA -0.006 54.024 54.000 0.051 0.000 0.833 105 D CB -0.510 40.328 40.800 0.063 0.000 0.946 105 D HN 0.026 nan 8.370 nan 0.000 0.505 106 N N 1.038 119.775 118.700 0.062 0.000 2.741 106 N HA -0.215 4.525 4.740 0.000 0.000 0.251 106 N C 0.121 175.745 175.510 0.189 0.000 1.112 106 N CA 0.676 53.784 53.050 0.097 0.000 0.750 106 N CB -1.046 37.458 38.487 0.028 0.000 1.119 106 N HN 0.365 nan 8.380 nan 0.000 0.561 107 Q N 1.199 121.098 119.800 0.164 0.000 2.256 107 Q HA 0.350 4.690 4.340 0.000 0.000 0.254 107 Q C -0.131 175.956 176.000 0.145 0.000 0.916 107 Q CA -0.197 55.685 55.803 0.132 0.000 0.932 107 Q CB 0.750 29.540 28.738 0.088 0.000 1.207 107 Q HN 0.116 nan 8.270 nan 0.000 0.426 108 R N 3.049 123.549 120.500 -0.001 0.000 2.490 108 R HA 0.266 4.606 4.340 0.000 0.000 0.280 108 R C 0.291 176.590 176.300 -0.002 0.000 1.077 108 R CA -0.137 55.867 56.100 -0.161 0.000 1.065 108 R CB 0.668 30.752 30.300 -0.360 0.000 1.003 108 R HN 0.820 nan 8.270 nan 0.000 0.470 109 H N 0.218 119.251 119.070 -0.061 0.000 5.067 109 H HA 0.144 4.700 4.556 0.000 0.000 0.118 109 H C 0.088 175.334 175.328 -0.137 0.000 1.355 109 H CA -0.344 55.680 56.048 -0.039 0.000 0.741 109 H CB 0.262 30.068 29.762 0.073 0.000 1.615 109 H HN 0.381 nan 8.280 nan 0.000 0.266 110 T N 1.526 116.081 114.554 0.003 0.000 2.916 110 T HA 0.085 4.435 4.350 0.000 0.000 0.303 110 T C 0.111 174.743 174.700 -0.114 0.000 1.025 110 T CA 0.471 62.495 62.100 -0.127 0.000 1.142 110 T CB 0.315 69.071 68.868 -0.187 0.000 0.947 110 T HN 0.390 nan 8.240 nan 0.000 0.544 111 E N 2.173 122.310 120.200 -0.105 0.000 2.642 111 E HA 0.433 4.783 4.350 0.000 0.000 0.284 111 E C -0.803 175.751 176.600 -0.076 0.000 1.039 111 E CA -0.466 55.872 56.400 -0.103 0.000 0.777 111 E CB 0.922 30.569 29.700 -0.088 0.000 1.473 111 E HN 0.592 nan 8.360 nan 0.000 0.388 112 T N 0.987 115.469 114.554 -0.119 0.000 2.731 112 T HA 0.447 4.797 4.350 0.000 0.000 0.300 112 T C -0.920 173.645 174.700 -0.225 0.000 1.283 112 T CA -0.221 61.805 62.100 -0.124 0.000 1.005 112 T CB 1.076 69.942 68.868 -0.002 0.000 1.420 112 T HN 0.416 nan 8.240 nan 0.000 0.503 113 S N 0.001 115.496 115.700 -0.342 0.000 2.617 113 S HA 0.486 4.956 4.470 0.000 0.000 0.269 113 S C 1.628 175.964 174.600 -0.440 0.000 1.292 113 S CA 0.056 57.979 58.200 -0.462 0.000 1.010 113 S CB 0.858 63.546 63.200 -0.853 0.000 0.944 113 S HN 1.073 nan 8.310 nan 0.000 0.536 114 G N 1.080 109.679 108.800 -0.335 0.000 2.418 114 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 114 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 114 G C 1.323 176.212 174.900 -0.019 0.000 1.158 114 G CA 0.756 45.712 45.100 -0.240 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.207 121.463 121.300 -0.074 0.000 2.388 115 W HA -0.028 4.632 4.660 0.000 0.000 0.294 115 W C 1.794 177.996 176.519 -0.528 0.000 1.212 115 W CA 0.844 57.955 57.345 -0.389 0.000 1.271 115 W CB -1.046 28.142 29.460 -0.454 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.261 119.965 119.070 -0.610 0.000 2.326 116 H HA -0.183 4.373 4.556 0.000 0.000 0.301 116 H C 2.354 177.575 175.328 -0.179 0.000 1.081 116 H CA 1.806 57.628 56.048 -0.376 0.000 1.334 116 H CB -0.131 29.244 29.762 -0.646 0.000 1.385 116 H HN 0.114 nan 8.280 nan 0.000 0.504 117 L N 1.072 122.070 121.223 -0.375 0.000 2.013 117 L HA -0.219 4.121 4.340 0.000 0.000 0.212 117 L C 2.594 179.367 176.870 -0.161 0.000 1.073 117 L CA 2.469 57.125 54.840 -0.307 0.000 0.753 117 L CB -1.137 40.811 42.059 -0.186 0.000 0.890 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 H N -1.318 117.679 119.070 -0.121 0.000 2.353 118 H HA -0.189 4.367 4.556 0.000 0.000 0.300 118 H C 1.847 177.158 175.328 -0.028 0.000 1.090 118 H CA 2.193 58.166 56.048 -0.126 0.000 1.327 118 H CB -0.353 29.306 29.762 -0.171 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.229 119.604 119.950 -0.195 0.000 2.216 119 F HA -0.104 4.423 4.527 0.000 0.000 0.300 119 F C 2.664 178.395 175.800 -0.114 0.000 1.085 119 F CA 0.860 58.793 58.000 -0.112 0.000 1.326 119 F CB -0.977 38.001 39.000 -0.038 0.000 1.027 119 F HN 0.103 nan 8.300 nan 0.000 0.497 120 V N 0.069 119.969 119.914 -0.023 0.000 2.427 120 V HA -0.270 3.850 4.120 0.000 0.000 0.248 120 V C 1.939 177.976 176.094 -0.094 0.000 1.051 120 V CA 1.799 64.071 62.300 -0.047 0.000 1.048 120 V CB -0.839 30.887 31.823 -0.161 0.000 0.666 120 V HN 0.363 nan 8.190 nan 0.000 0.456 121 N N -0.287 118.269 118.700 -0.240 0.000 2.104 121 N HA -0.187 4.553 4.740 0.000 0.000 0.190 121 N C 1.838 177.217 175.510 -0.219 0.000 1.024 121 N CA 1.817 54.606 53.050 -0.436 0.000 0.853 121 N CB -0.200 37.624 38.487 -1.105 0.000 1.008 121 N HN 0.416 nan 8.380 nan 0.000 0.424 122 T N 0.593 115.050 114.554 -0.162 0.000 2.708 122 T HA -0.093 4.257 4.350 0.000 0.000 0.266 122 T C 2.062 176.729 174.700 -0.056 0.000 1.037 122 T CA 1.197 63.273 62.100 -0.041 0.000 1.146 122 T CB -0.339 68.480 68.868 -0.082 0.000 0.865 122 T HN 0.330 nan 8.240 nan 0.000 0.435 123 A N 1.893 124.688 122.820 -0.042 0.000 1.908 123 A HA -0.156 4.164 4.320 0.000 0.000 0.218 123 A C 2.276 179.850 177.584 -0.016 0.000 1.181 123 A CA 1.407 53.383 52.037 -0.102 0.000 0.627 123 A CB -0.337 18.563 19.000 -0.167 0.000 0.818 123 A HN 0.295 nan 8.150 nan 0.000 0.445 124 K N -0.659 119.738 120.400 -0.005 0.000 2.155 124 K HA -0.133 4.187 4.320 0.000 0.000 0.203 124 K C 2.142 178.726 176.600 -0.027 0.000 1.052 124 K CA 1.415 57.689 56.287 -0.022 0.000 0.948 124 K CB -0.215 32.245 32.500 -0.067 0.000 0.728 124 K HN 0.762 nan 8.250 nan 0.000 0.448 125 Q N -0.054 119.748 119.800 0.003 0.000 2.187 125 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 125 Q C 0.641 176.629 176.000 -0.020 0.000 0.957 125 Q CA 1.262 57.073 55.803 0.013 0.000 0.857 125 Q CB 0.248 29.045 28.738 0.099 0.000 0.929 125 Q HN 0.440 nan 8.270 nan 0.000 0.453 126 G N -0.574 108.206 108.800 -0.032 0.000 2.141 126 G HA2 -0.165 3.795 3.960 0.000 0.000 0.242 126 G HA3 -0.165 3.795 3.960 0.000 0.000 0.242 126 G C -0.067 174.790 174.900 -0.072 0.000 0.982 126 G CA 0.201 45.272 45.100 -0.047 0.000 0.662 126 G HN 0.823 nan 8.290 nan 0.000 0.527 127 A N -1.301 121.473 122.820 -0.076 0.000 2.597 127 A HA 0.787 5.107 4.320 0.000 0.000 0.292 127 A C -3.133 174.414 177.584 -0.060 0.000 1.057 127 A CA -0.743 51.241 52.037 -0.088 0.000 0.674 127 A CB 0.715 19.674 19.000 -0.068 0.000 1.278 127 A HN 0.156 nan 8.150 nan 0.000 0.416 128 P HA 0.110 nan 4.420 nan 0.000 0.258 128 P C -0.348 177.017 177.300 0.108 0.000 1.172 128 P CA 0.563 63.677 63.100 0.023 0.000 0.762 128 P CB -0.144 31.570 31.700 0.024 0.000 0.764 129 F N 5.765 125.724 119.950 0.014 0.000 2.612 129 F HA -0.058 4.469 4.527 0.000 0.000 0.389 129 F C 1.172 176.995 175.800 0.038 0.000 1.055 129 F CA 0.362 58.379 58.000 0.029 0.000 1.232 129 F CB -0.403 38.641 39.000 0.073 0.000 1.044 129 F HN 0.274 nan 8.300 nan 0.000 0.560 130 L N 3.597 124.450 121.223 -0.617 0.000 3.976 130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 130 L C 0.622 177.339 176.870 -0.255 0.000 1.177 130 L CA 0.557 55.052 54.840 -0.576 0.000 0.968 130 L CB -2.350 39.211 42.059 -0.830 0.000 1.933 130 L HN 0.735 nan 8.230 nan 0.000 0.976 131 S N -1.846 113.769 115.700 -0.141 0.000 2.645 131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 131 S C 0.317 174.868 174.600 -0.082 0.000 1.258 131 S CA -0.032 58.124 58.200 -0.073 0.000 0.990 131 S CB 2.196 65.380 63.200 -0.027 0.000 0.967 131 S HN 0.274 nan 8.310 nan 0.000 0.556 132 S N 1.714 117.382 115.700 -0.053 0.000 2.498 132 S HA 0.449 4.919 4.470 0.000 0.000 0.324 132 S C -0.048 174.531 174.600 -0.036 0.000 1.071 132 S CA -1.020 57.153 58.200 -0.045 0.000 1.113 132 S CB -0.420 62.765 63.200 -0.025 0.000 0.976 132 S HN 0.779 nan 8.310 nan 0.000 0.462 133 M N 4.122 123.693 119.600 -0.048 0.000 2.240 133 M HA 0.544 5.024 4.480 0.000 0.000 0.333 133 M C -0.863 175.419 176.300 -0.031 0.000 1.110 133 M CA -0.409 54.865 55.300 -0.043 0.000 1.173 133 M CB 0.497 33.061 32.600 -0.059 0.000 1.458 133 M HN 0.247 nan 8.290 nan 0.000 0.458 134 V N 2.620 122.521 119.914 -0.022 0.000 2.439 134 V HA 0.603 4.723 4.120 0.000 0.000 0.282 134 V C 0.465 176.549 176.094 -0.017 0.000 1.039 134 V CA -0.165 62.129 62.300 -0.011 0.000 0.913 134 V CB 1.187 33.008 31.823 -0.004 0.000 0.983 134 V HN 1.107 nan 8.190 nan 0.000 0.460 135 T N -0.273 114.276 114.554 -0.009 0.000 2.838 135 T HA 0.350 4.700 4.350 0.000 0.000 0.292 135 T C 0.252 174.956 174.700 0.006 0.000 1.113 135 T CA -0.286 61.806 62.100 -0.014 0.000 1.008 135 T CB 1.905 70.750 68.868 -0.038 0.000 1.259 135 T HN 0.629 nan 8.240 nan 0.000 0.520 136 D N -0.073 120.330 120.400 0.004 0.000 2.336 136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 136 D C 0.666 176.983 176.300 0.029 0.000 1.061 136 D CA -0.174 53.834 54.000 0.014 0.000 0.875 136 D CB -0.387 40.417 40.800 0.007 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.791 117.517 115.700 0.045 0.000 2.544 137 S HA 0.078 4.548 4.470 0.000 0.000 0.290 137 S C -1.044 173.609 174.600 0.089 0.000 1.276 137 S CA -0.930 57.322 58.200 0.086 0.000 1.075 137 S CB 0.989 64.288 63.200 0.165 0.000 0.849 137 S HN 0.099 nan 8.310 nan 0.000 0.494 138 P HA 0.060 nan 4.420 nan 0.000 0.225 138 P C 0.120 177.436 177.300 0.027 0.000 1.156 138 P CA 0.337 63.459 63.100 0.038 0.000 0.787 138 P CB -0.044 31.671 31.700 0.024 0.000 0.802 139 I N 1.181 121.780 120.570 0.048 0.000 2.648 139 I HA -0.022 4.148 4.170 0.000 0.000 0.284 139 I C 1.350 177.409 176.117 -0.097 0.000 1.153 139 I CA 0.285 61.553 61.300 -0.054 0.000 1.426 139 I CB 0.171 38.129 38.000 -0.070 0.000 1.381 139 I HN -0.267 nan 8.210 nan 0.000 0.571 140 K N 6.534 126.828 120.400 -0.176 0.000 3.233 140 K HA 0.072 4.392 4.320 0.000 0.000 0.283 140 K C -0.708 175.803 176.600 -0.148 0.000 1.209 140 K CA -0.016 56.198 56.287 -0.121 0.000 1.197 140 K CB -0.587 31.861 32.500 -0.088 0.000 1.431 140 K HN 0.367 nan 8.250 nan 0.000 0.326 141 Y N 0.566 120.855 120.300 -0.018 0.000 2.296 141 Y HA 0.300 4.850 4.550 0.000 0.000 0.343 141 Y C 1.551 177.439 175.900 -0.021 0.000 1.292 141 Y CA 0.659 58.745 58.100 -0.023 0.000 1.490 141 Y CB 0.785 39.229 38.460 -0.026 0.000 1.359 141 Y HN 0.449 nan 8.280 nan 0.000 0.599 142 G N 0.071 108.966 108.800 0.158 0.000 2.332 142 G HA2 -0.028 3.932 3.960 0.000 0.000 0.265 142 G HA3 -0.028 3.932 3.960 0.000 0.000 0.265 142 G C -1.744 173.180 174.900 0.040 0.000 1.329 142 G CA -0.833 44.312 45.100 0.075 0.000 0.949 142 G HN 0.533 nan 8.290 nan 0.000 0.476 143 D N 0.541 120.955 120.400 0.024 0.000 2.508 143 D HA 0.442 5.082 4.640 0.000 0.000 0.224 143 D C 1.386 177.694 176.300 0.014 0.000 1.171 143 D CA 0.094 54.102 54.000 0.014 0.000 1.006 143 D CB 0.680 41.487 40.800 0.013 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.795 122.716 119.914 0.011 0.000 2.575 144 V HA -0.030 4.090 4.120 0.000 0.000 0.242 144 V C 1.881 177.979 176.094 0.007 0.000 1.045 144 V CA 0.781 63.085 62.300 0.006 0.000 1.065 144 V CB -0.117 31.706 31.823 -0.000 0.000 0.717 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.442 119.161 119.600 0.005 0.000 2.371 145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 145 M C 0.372 176.688 176.300 0.026 0.000 1.103 145 M CA 0.090 55.396 55.300 0.011 0.000 1.010 145 M CB -0.621 31.977 32.600 -0.003 0.000 1.457 145 M HN 0.380 nan 8.290 nan 0.000 0.486 146 N N 1.172 119.886 118.700 0.024 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.026 176.576 175.510 0.065 0.000 0.993 146 N CA 0.268 53.342 53.050 0.040 0.000 0.759 146 N CB -1.231 37.286 38.487 0.049 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.210 119.726 119.914 0.036 0.000 2.287 147 V HA -0.112 4.008 4.120 0.000 0.000 0.248 147 V C 1.415 177.611 176.094 0.169 0.000 1.053 147 V CA 1.562 63.895 62.300 0.055 0.000 1.027 147 V CB 0.018 31.762 31.823 -0.131 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 0.375 120.997 120.570 0.087 0.000 2.410 148 I HA 0.488 4.658 4.170 0.000 0.000 0.286 148 I C -1.120 175.035 176.117 0.063 0.000 1.009 148 I CA -0.296 61.065 61.300 0.102 0.000 1.111 148 I CB 1.761 39.801 38.000 0.068 0.000 1.262 148 I HN 0.228 nan 8.210 nan 0.000 0.443 149 D N 5.387 125.829 120.400 0.070 0.000 2.717 149 D HA 0.799 5.439 4.640 0.000 0.000 0.223 149 D C -1.613 174.731 176.300 0.074 0.000 1.240 149 D CA -0.298 53.740 54.000 0.063 0.000 0.801 149 D CB 2.295 43.135 40.800 0.068 0.000 1.556 149 D HN 0.679 nan 8.370 nan 0.000 0.462 150 A N 2.484 125.350 122.820 0.077 0.000 2.555 150 A HA 0.633 4.953 4.320 0.000 0.000 0.297 150 A C -2.819 174.845 177.584 0.133 0.000 1.060 150 A CA -1.153 50.954 52.037 0.117 0.000 0.710 150 A CB 1.424 20.478 19.000 0.090 0.000 1.282 150 A HN 0.425 nan 8.150 nan 0.000 0.399 151 P HA 0.306 nan 4.420 nan 0.000 0.268 151 P C 0.988 178.418 177.300 0.217 0.000 1.204 151 P CA 0.467 63.664 63.100 0.161 0.000 0.768 151 P CB 1.309 33.084 31.700 0.124 0.000 0.842 152 A N 3.545 126.448 122.820 0.138 0.000 1.978 152 A HA -0.039 4.281 4.320 0.000 0.000 0.220 152 A C 1.124 178.826 177.584 0.197 0.000 1.170 152 A CA 1.937 54.049 52.037 0.125 0.000 0.636 152 A CB -0.949 18.096 19.000 0.074 0.000 0.810 152 A HN 0.739 nan 8.150 nan 0.000 0.448 153 T N -3.828 110.832 114.554 0.178 0.000 2.883 153 T HA 0.673 5.023 4.350 0.000 0.000 0.301 153 T C -0.882 173.840 174.700 0.037 0.000 1.158 153 T CA -0.630 61.557 62.100 0.145 0.000 1.007 153 T CB 1.479 70.387 68.868 0.068 0.000 1.186 153 T HN 0.174 nan 8.240 nan 0.000 0.499 154 I N 1.828 122.342 120.570 -0.094 0.000 2.439 154 I HA 0.575 4.745 4.170 0.000 0.000 0.283 154 I C 0.618 176.655 176.117 -0.135 0.000 1.023 154 I CA -1.114 60.076 61.300 -0.184 0.000 1.100 154 I CB 1.454 39.209 38.000 -0.408 0.000 1.238 154 I HN 1.030 nan 8.210 nan 0.000 0.445 155 A N 4.738 127.508 122.820 -0.083 0.000 2.366 155 A HA 0.713 5.033 4.320 0.000 0.000 0.249 155 A C 0.632 178.176 177.584 -0.066 0.000 1.084 155 A CA -0.287 51.714 52.037 -0.061 0.000 0.794 155 A CB 0.461 19.439 19.000 -0.035 0.000 1.034 155 A HN 0.838 nan 8.150 nan 0.000 0.491 156 A N -0.012 122.784 122.820 -0.039 0.000 2.566 156 A HA 0.449 4.769 4.320 0.000 0.000 0.245 156 A C 1.629 179.198 177.584 -0.025 0.000 1.056 156 A CA 0.969 53.000 52.037 -0.010 0.000 0.757 156 A CB -1.096 17.930 19.000 0.043 0.000 0.979 156 A HN 2.755 nan 8.150 nan 0.000 0.508 157 G N 0.841 109.618 108.800 -0.038 0.000 2.199 157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 157 G C 0.554 175.422 174.900 -0.054 0.000 0.982 157 G CA 0.606 45.679 45.100 -0.044 0.000 0.632 157 G HN 2.193 nan 8.290 nan 0.000 0.529 158 A N -0.522 122.257 122.820 -0.068 0.000 2.269 158 A HA 0.854 5.174 4.320 0.000 0.000 0.319 158 A C 0.235 177.764 177.584 -0.092 0.000 1.110 158 A CA 0.630 52.625 52.037 -0.070 0.000 0.847 158 A CB 1.103 20.063 19.000 -0.066 0.000 1.161 158 A HN 0.704 nan 8.150 nan 0.000 0.497 159 T N 0.623 115.133 114.554 -0.073 0.000 2.812 159 T HA 0.606 4.956 4.350 0.000 0.000 0.282 159 T C 0.164 174.830 174.700 -0.058 0.000 0.990 159 T CA 0.043 62.099 62.100 -0.074 0.000 0.960 159 T CB 1.459 70.300 68.868 -0.046 0.000 0.948 159 T HN 1.037 nan 8.240 nan 0.000 0.438 160 G N 1.957 110.714 108.800 -0.071 0.000 2.400 160 G HA2 0.631 4.591 3.960 0.000 0.000 0.333 160 G HA3 0.631 4.591 3.960 0.000 0.000 0.333 160 G C -0.841 174.075 174.900 0.026 0.000 1.143 160 G CA -0.570 44.514 45.100 -0.025 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.620 120.851 120.200 0.052 0.000 2.171 161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 161 E C -0.913 175.747 176.600 0.100 0.000 0.916 161 E CA -0.515 55.927 56.400 0.070 0.000 0.774 161 E CB 2.387 32.117 29.700 0.050 0.000 1.128 161 E HN 0.135 nan 8.360 nan 0.000 0.403 162 L N 1.396 122.691 121.223 0.120 0.000 2.341 162 L HA 0.532 4.872 4.340 0.000 0.000 0.267 162 L C 0.031 176.965 176.870 0.106 0.000 1.009 162 L CA -0.467 54.453 54.840 0.133 0.000 0.819 162 L CB 2.121 44.291 42.059 0.186 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.277 116.889 114.554 0.096 0.000 2.921 163 T HA 0.739 5.089 4.350 0.000 0.000 0.297 163 T C -1.087 173.657 174.700 0.073 0.000 1.013 163 T CA -0.364 61.783 62.100 0.079 0.000 0.990 163 T CB 1.636 70.571 68.868 0.111 0.000 1.023 163 T HN 0.428 nan 8.240 nan 0.000 0.447 164 M N 3.187 122.797 119.600 0.017 0.000 2.501 164 M HA 0.678 5.158 4.480 0.000 0.000 0.293 164 M C -2.376 173.871 176.300 -0.089 0.000 1.192 164 M CA -0.850 54.436 55.300 -0.022 0.000 0.886 164 M CB 1.668 34.233 32.600 -0.058 0.000 1.710 164 M HN 0.618 nan 8.290 nan 0.000 0.457 165 Y N 2.733 123.003 120.300 -0.050 0.000 2.462 165 Y HA 0.707 5.257 4.550 0.000 0.000 0.346 165 Y C -1.518 174.431 175.900 0.081 0.000 0.976 165 Y CA -0.334 57.851 58.100 0.141 0.000 1.044 165 Y CB 2.068 40.666 38.460 0.230 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.172 121.769 120.300 0.495 0.000 2.477 166 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 166 Y C -1.017 175.105 175.900 0.370 0.000 0.981 166 Y CA -1.553 56.732 58.100 0.309 0.000 1.033 166 Y CB 2.038 40.565 38.460 0.113 0.000 1.245 166 Y HN 0.645 nan 8.280 nan 0.000 0.455 167 W N 4.990 126.380 121.300 0.149 0.000 2.361 167 W HA 0.668 5.328 4.660 0.000 0.000 0.314 167 W C -1.903 174.643 176.519 0.046 0.000 1.041 167 W CA -1.017 56.404 57.345 0.127 0.000 1.241 167 W CB 1.453 30.942 29.460 0.050 0.000 1.279 167 W HN 0.310 nan 8.180 nan 0.000 0.436 168 V N 9.361 128.986 119.914 -0.482 0.000 2.334 168 V HA 0.194 4.314 4.120 0.000 0.000 0.267 168 V C -1.610 173.989 176.094 -0.825 0.000 1.040 168 V CA -1.559 60.470 62.300 -0.450 0.000 0.866 168 V CB 0.966 32.655 31.823 -0.222 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.388 nan 4.420 nan 0.000 0.286 169 P C 0.044 177.243 177.300 -0.168 0.000 1.261 169 P CA -0.303 62.629 63.100 -0.280 0.000 0.821 169 P CB 2.499 34.358 31.700 0.266 0.000 1.013 170 L N 1.498 122.659 121.223 -0.102 0.000 2.675 170 L HA 0.321 4.661 4.340 0.000 0.000 0.178 170 L C 1.377 178.376 176.870 0.214 0.000 1.135 170 L CA 0.101 54.898 54.840 -0.071 0.000 0.855 170 L CB -0.831 41.055 42.059 -0.289 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.892 122.025 122.820 0.161 0.000 2.445 171 A HA -0.034 4.286 4.320 0.000 0.000 0.242 171 A C 0.550 178.289 177.584 0.257 0.000 1.075 171 A CA 0.046 52.202 52.037 0.197 0.000 0.777 171 A CB -0.050 19.032 19.000 0.136 0.000 1.013 171 A HN 0.367 nan 8.150 nan 0.000 0.493 172 Y N 2.287 122.577 120.300 -0.017 0.000 2.181 172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 172 Y C 1.288 177.145 175.900 -0.071 0.000 1.146 172 Y CA 1.806 59.721 58.100 -0.308 0.000 1.164 172 Y CB 0.015 38.317 38.460 -0.264 0.000 0.982 172 Y HN 0.883 nan 8.280 nan 0.000 0.515 173 S N -2.124 113.561 115.700 -0.025 0.000 2.790 173 S HA 0.230 4.700 4.470 0.000 0.000 0.292 173 S C 0.521 175.112 174.600 -0.016 0.000 1.197 173 S CA -0.285 57.857 58.200 -0.096 0.000 0.851 173 S CB 1.283 64.414 63.200 -0.115 0.000 1.217 173 S HN 0.090 nan 8.310 nan 0.000 0.526 174 E N 0.478 120.639 120.200 -0.065 0.000 2.208 174 E HA -0.023 4.327 4.350 0.000 0.000 0.193 174 E C 1.540 178.122 176.600 -0.030 0.000 0.988 174 E CA 2.039 58.402 56.400 -0.061 0.000 0.828 174 E CB -0.225 29.410 29.700 -0.108 0.000 0.763 174 E HN 0.789 nan 8.360 nan 0.000 0.478 175 T N -3.070 111.477 114.554 -0.011 0.000 2.985 175 T HA 0.099 4.449 4.350 0.000 0.000 0.254 175 T C 0.245 174.961 174.700 0.028 0.000 1.021 175 T CA -0.155 61.947 62.100 0.002 0.000 0.957 175 T CB 0.245 69.112 68.868 -0.001 0.000 1.047 175 T HN -0.060 nan 8.240 nan 0.000 0.511 176 D N 1.189 121.627 120.400 0.064 0.000 2.453 176 D HA 0.313 4.953 4.640 0.000 0.000 0.238 176 D C 0.631 176.975 176.300 0.074 0.000 1.088 176 D CA -0.686 53.362 54.000 0.079 0.000 0.854 176 D CB 1.062 41.970 40.800 0.180 0.000 1.076 176 D HN 0.206 nan 8.370 nan 0.000 0.533 177 L N 2.493 123.732 121.223 0.028 0.000 2.627 177 L HA 0.088 4.428 4.340 0.000 0.000 0.233 177 L C 0.762 177.637 176.870 0.009 0.000 1.144 177 L CA 0.157 55.016 54.840 0.031 0.000 0.892 177 L CB -0.326 41.746 42.059 0.022 0.000 1.039 177 L HN 0.261 nan 8.230 nan 0.000 0.442 178 T N 0.871 115.394 114.554 -0.052 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.258 175.950 174.700 -0.013 0.000 0.998 178 T CA 1.056 63.054 62.100 -0.170 0.000 1.162 178 T CB 0.837 69.391 68.868 -0.523 0.000 0.947 178 T HN 0.630 nan 8.240 nan 0.000 0.536 179 G N 2.043 110.864 108.800 0.036 0.000 2.213 179 G HA2 -0.090 3.870 3.960 0.000 0.000 0.236 179 G HA3 -0.090 3.870 3.960 0.000 0.000 0.236 179 G C 0.363 175.375 174.900 0.187 0.000 0.991 179 G CA -0.036 45.185 45.100 0.203 0.000 0.629 179 G HN 1.159 nan 8.290 nan 0.000 0.517 180 A N -0.462 122.423 122.820 0.108 0.000 2.386 180 A HA 0.651 4.971 4.320 0.000 0.000 0.246 180 A C 0.404 178.029 177.584 0.068 0.000 1.089 180 A CA 0.754 52.830 52.037 0.064 0.000 0.790 180 A CB 0.873 19.903 19.000 0.050 0.000 1.042 180 A HN 1.197 nan 8.150 nan 0.000 0.497 181 V N 1.821 121.751 119.914 0.027 0.000 2.448 181 V HA 0.310 4.430 4.120 0.000 0.000 0.295 181 V C -0.498 175.621 176.094 0.041 0.000 1.025 181 V CA -0.523 61.809 62.300 0.052 0.000 0.859 181 V CB 1.371 33.220 31.823 0.043 0.000 0.988 181 V HN 0.777 nan 8.190 nan 0.000 0.431 182 L N 5.184 126.432 121.223 0.042 0.000 2.278 182 L HA 0.665 5.005 4.340 0.000 0.000 0.287 182 L C 0.704 177.578 176.870 0.007 0.000 1.072 182 L CA 0.664 55.512 54.840 0.013 0.000 0.819 182 L CB 0.981 43.037 42.059 -0.004 0.000 1.176 182 L HN 0.753 nan 8.230 nan 0.000 0.435 183 A N 3.755 126.570 122.820 -0.009 0.000 2.624 183 A HA 0.167 4.487 4.320 0.000 0.000 0.287 183 A C 1.300 178.857 177.584 -0.045 0.000 1.087 183 A CA -0.058 51.971 52.037 -0.013 0.000 0.964 183 A CB -0.583 18.422 19.000 0.009 0.000 1.231 183 A HN 0.852 nan 8.150 nan 0.000 0.551 184 N N -0.010 118.650 118.700 -0.067 0.000 2.459 184 N HA -0.077 4.663 4.740 0.000 0.000 0.181 184 N C 1.213 176.672 175.510 -0.085 0.000 1.046 184 N CA 1.623 54.624 53.050 -0.081 0.000 0.904 184 N CB 0.249 38.669 38.487 -0.111 0.000 0.964 184 N HN 0.355 nan 8.380 nan 0.000 0.444 185 V N -2.323 117.540 119.914 -0.084 0.000 3.054 185 V HA 0.255 4.375 4.120 0.000 0.000 0.227 185 V C -1.161 174.910 176.094 -0.039 0.000 1.252 185 V CA -0.125 62.134 62.300 -0.069 0.000 1.279 185 V CB -1.361 30.407 31.823 -0.092 0.000 1.118 185 V HN -0.117 nan 8.190 nan 0.000 0.504 186 P HA -0.348 nan 4.420 nan 0.000 0.237 186 P C 1.058 178.350 177.300 -0.013 0.000 1.132 186 P CA 3.188 66.280 63.100 -0.014 0.000 0.939 186 P CB -0.135 31.564 31.700 -0.002 0.000 0.749 187 Q N -3.947 115.843 119.800 -0.016 0.000 2.540 187 Q HA -0.274 4.066 4.340 0.000 0.000 0.186 187 Q C 0.810 176.800 176.000 -0.016 0.000 2.876 187 Q CA 1.921 57.715 55.803 -0.015 0.000 0.213 187 Q CB -2.707 26.023 28.738 -0.014 0.000 0.199 187 Q HN 0.446 nan 8.270 nan 0.000 0.403 188 S N 2.719 118.409 115.700 -0.016 0.000 2.558 188 S HA 0.147 4.617 4.470 0.000 0.000 0.291 188 S C 0.375 174.960 174.600 -0.025 0.000 1.306 188 S CA 0.563 58.749 58.200 -0.022 0.000 1.056 188 S CB 0.460 63.648 63.200 -0.020 0.000 0.836 188 S HN 0.290 nan 8.310 nan 0.000 0.504 189 K N 3.697 124.075 120.400 -0.038 0.000 2.202 189 K HA 0.285 4.605 4.320 0.000 0.000 0.264 189 K C -0.163 176.400 176.600 -0.060 0.000 1.010 189 K CA -0.566 55.696 56.287 -0.042 0.000 0.940 189 K CB 0.484 32.954 32.500 -0.050 0.000 0.983 189 K HN 0.649 nan 8.250 nan 0.000 0.475 190 Q N 1.170 120.940 119.800 -0.050 0.000 2.221 190 Q HA 0.334 4.674 4.340 0.000 0.000 0.242 190 Q C -0.782 175.128 176.000 -0.151 0.000 0.940 190 Q CA -0.731 55.009 55.803 -0.104 0.000 0.896 190 Q CB 1.554 30.308 28.738 0.026 0.000 1.226 190 Q HN 0.465 nan 8.270 nan 0.000 0.463 191 R N 1.191 121.534 120.500 -0.262 0.000 2.502 191 R HA 0.393 4.733 4.340 0.000 0.000 0.300 191 R C -1.626 174.546 176.300 -0.214 0.000 0.984 191 R CA -0.751 55.235 56.100 -0.190 0.000 0.882 191 R CB 1.220 31.428 30.300 -0.152 0.000 1.180 191 R HN 0.339 nan 8.270 nan 0.000 0.444 192 L N 3.671 124.781 121.223 -0.189 0.000 2.301 192 L HA 0.394 4.734 4.340 0.000 0.000 0.278 192 L C -0.885 175.880 176.870 -0.176 0.000 1.022 192 L CA -0.249 54.466 54.840 -0.208 0.000 0.854 192 L CB 0.841 42.630 42.059 -0.450 0.000 1.226 192 L HN 0.400 nan 8.230 nan 0.000 0.429 193 K N 6.176 126.500 120.400 -0.126 0.000 2.201 193 K HA 0.601 4.921 4.320 0.000 0.000 0.278 193 K C -1.234 175.238 176.600 -0.214 0.000 1.027 193 K CA -0.418 55.792 56.287 -0.127 0.000 0.909 193 K CB 1.359 33.827 32.500 -0.052 0.000 1.062 193 K HN 0.545 nan 8.250 nan 0.000 0.465 194 L N 2.458 123.528 121.223 -0.255 0.000 2.381 194 L HA 0.360 4.700 4.340 0.000 0.000 0.274 194 L C -0.437 176.186 176.870 -0.412 0.000 0.988 194 L CA -0.625 53.945 54.840 -0.451 0.000 0.824 194 L CB 1.954 43.609 42.059 -0.674 0.000 1.263 194 L HN 0.646 nan 8.230 nan 0.000 0.410 195 E N 3.179 123.117 120.200 -0.436 0.000 2.129 195 E HA 0.451 4.801 4.350 0.000 0.000 0.268 195 E C -1.304 175.106 176.600 -0.316 0.000 0.900 195 E CA -0.606 55.642 56.400 -0.253 0.000 0.755 195 E CB 1.038 30.648 29.700 -0.150 0.000 1.117 195 E HN 0.301 nan 8.360 nan 0.000 0.410 196 F N 1.887 121.847 119.950 0.017 0.000 2.370 196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 196 F C 1.075 176.902 175.800 0.046 0.000 1.129 196 F CA -0.557 57.480 58.000 0.061 0.000 1.109 196 F CB 0.838 39.968 39.000 0.216 0.000 1.262 196 F HN 0.506 nan 8.300 nan 0.000 0.534 197 A N 1.646 124.615 122.820 0.249 0.000 2.448 197 A HA 0.392 4.712 4.320 0.000 0.000 0.239 197 A C -0.263 177.383 177.584 0.104 0.000 1.080 197 A CA -0.165 51.976 52.037 0.174 0.000 0.779 197 A CB -0.196 18.959 19.000 0.257 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.713 118.101 118.700 0.191 0.000 3.102 198 N HA 0.258 4.998 4.740 0.000 0.000 0.299 198 N C -0.126 175.625 175.510 0.402 0.000 1.482 198 N CA -0.826 52.364 53.050 0.233 0.000 0.785 198 N CB 0.363 38.958 38.487 0.181 0.000 1.680 198 N HN 0.296 nan 8.380 nan 0.000 0.594 199 N N -0.601 118.357 118.700 0.431 0.000 2.573 199 N HA -0.029 4.711 4.740 0.000 0.000 0.187 199 N C -0.042 175.671 175.510 0.339 0.000 1.107 199 N CA 0.647 53.989 53.050 0.486 0.000 0.918 199 N CB -0.540 38.197 38.487 0.417 0.000 0.966 199 N HN 0.579 nan 8.380 nan 0.000 0.448 200 N N -1.078 117.754 118.700 0.220 0.000 2.388 200 N HA -0.024 4.716 4.740 0.000 0.000 0.176 200 N C 1.506 177.082 175.510 0.110 0.000 1.062 200 N CA 0.800 53.946 53.050 0.160 0.000 0.895 200 N CB 0.392 38.955 38.487 0.127 0.000 1.018 200 N HN 0.238 nan 8.380 nan 0.000 0.456 201 T N -2.832 111.771 114.554 0.081 0.000 3.000 201 T HA 0.313 4.663 4.350 0.000 0.000 0.248 201 T C 1.851 176.517 174.700 -0.058 0.000 1.034 201 T CA 0.167 62.292 62.100 0.042 0.000 1.060 201 T CB 0.090 69.003 68.868 0.075 0.000 0.983 201 T HN 0.042 nan 8.240 nan 0.000 0.482 202 A N 0.811 123.486 122.820 -0.242 0.000 2.066 202 A HA 0.409 4.729 4.320 0.000 0.000 0.218 202 A C 0.140 177.241 177.584 -0.806 0.000 1.157 202 A CA 0.249 51.916 52.037 -0.618 0.000 0.670 202 A CB -0.573 17.826 19.000 -1.001 0.000 0.804 202 A HN 0.543 nan 8.150 nan 0.000 0.453 203 F N -0.814 119.194 119.950 0.096 0.000 2.477 203 F HA 0.672 5.199 4.527 0.000 0.000 0.335 203 F C 0.219 176.053 175.800 0.056 0.000 1.130 203 F CA -1.422 56.618 58.000 0.067 0.000 0.948 203 F CB 1.435 40.453 39.000 0.030 0.000 1.154 203 F HN 0.067 nan 8.300 nan 0.000 0.439 204 A N 1.999 124.932 122.820 0.189 0.000 2.304 204 A HA 0.878 5.198 4.320 0.000 0.000 0.323 204 A C -0.199 177.444 177.584 0.097 0.000 1.195 204 A CA -0.588 51.516 52.037 0.111 0.000 0.826 204 A CB 0.675 19.709 19.000 0.056 0.000 1.184 204 A HN 0.967 nan 8.150 nan 0.000 0.496 205 A N 1.671 124.536 122.820 0.075 0.000 2.332 205 A HA 0.535 4.855 4.320 0.000 0.000 0.258 205 A C 0.395 177.997 177.584 0.031 0.000 1.087 205 A CA -0.318 51.747 52.037 0.048 0.000 0.802 205 A CB 0.011 19.037 19.000 0.043 0.000 1.042 205 A HN 1.219 nan 8.150 nan 0.000 0.489 206 V N 1.379 121.302 119.914 0.014 0.000 2.617 206 V HA 0.354 4.474 4.120 0.000 0.000 0.304 206 V C 1.690 177.790 176.094 0.010 0.000 1.040 206 V CA 1.889 64.193 62.300 0.008 0.000 1.149 206 V CB -0.046 31.775 31.823 -0.003 0.000 0.914 206 V HN 1.966 nan 8.190 nan 0.000 0.487 207 G N 3.211 112.016 108.800 0.008 0.000 2.241 207 G HA2 -0.128 3.832 3.960 0.000 0.000 0.244 207 G HA3 -0.128 3.832 3.960 0.000 0.000 0.244 207 G C 0.414 175.319 174.900 0.009 0.000 0.998 207 G CA 0.262 45.365 45.100 0.005 0.000 0.621 207 G HN 1.513 nan 8.290 nan 0.000 0.519 208 A N -0.126 122.705 122.820 0.018 0.000 2.271 208 A HA 0.655 4.975 4.320 0.000 0.000 0.288 208 A C 0.501 178.102 177.584 0.028 0.000 1.094 208 A CA 0.111 52.162 52.037 0.025 0.000 0.828 208 A CB 0.385 19.406 19.000 0.036 0.000 1.091 208 A HN 0.518 nan 8.150 nan 0.000 0.493 209 N N 1.102 119.823 118.700 0.035 0.000 2.452 209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 209 N C -1.756 173.778 175.510 0.040 0.000 1.175 209 N CA -1.306 51.779 53.050 0.059 0.000 0.945 209 N CB 1.012 39.536 38.487 0.062 0.000 1.063 209 N HN 0.349 nan 8.380 nan 0.000 0.472 210 P HA -0.008 nan 4.420 nan 0.000 0.255 210 P C 1.520 178.655 177.300 -0.274 0.000 1.248 210 P CA -0.125 62.912 63.100 -0.106 0.000 0.807 210 P CB 0.476 32.094 31.700 -0.137 0.000 1.150 211 L N 1.566 122.645 121.223 -0.241 0.000 2.010 211 L HA -0.189 4.151 4.340 0.000 0.000 0.219 211 L C 1.744 178.414 176.870 -0.334 0.000 1.077 211 L CA 2.206 56.776 54.840 -0.451 0.000 0.773 211 L CB -0.903 41.126 42.059 -0.050 0.000 0.892 211 L HN -0.118 nan 8.230 nan 0.000 0.436 212 E N -0.013 120.151 120.200 -0.060 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.679 177.304 176.600 0.041 0.000 1.039 212 E CA 0.574 57.023 56.400 0.082 0.000 0.881 212 E CB -0.070 29.714 29.700 0.140 0.000 0.970 212 E HN 0.576 nan 8.360 nan 0.000 0.486 213 A N 0.733 123.526 122.820 -0.045 0.000 2.271 213 A HA 0.511 4.831 4.320 0.000 0.000 0.288 213 A C 1.098 178.641 177.584 -0.069 0.000 1.094 213 A CA -0.444 51.561 52.037 -0.053 0.000 0.828 213 A CB 0.532 19.507 19.000 -0.042 0.000 1.091 213 A HN 0.049 nan 8.150 nan 0.000 0.493 214 I N -1.582 118.939 120.570 -0.082 0.000 3.039 214 I HA 0.124 4.294 4.170 0.000 0.000 0.270 214 I C -0.376 175.557 176.117 -0.308 0.000 1.150 214 I CA 0.639 61.858 61.300 -0.134 0.000 1.448 214 I CB 0.003 37.984 38.000 -0.031 0.000 1.197 214 I HN 0.581 nan 8.210 nan 0.000 0.450 215 Y N 0.339 120.667 120.300 0.046 0.000 2.499 215 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 215 Y C -0.251 175.707 175.900 0.096 0.000 0.987 215 Y CA -0.769 57.390 58.100 0.099 0.000 1.044 215 Y CB 1.735 40.304 38.460 0.182 0.000 1.245 215 Y HN -0.068 nan 8.280 nan 0.000 0.461 216 Q N 1.263 121.188 119.800 0.208 0.000 2.359 216 Q HA 0.765 5.105 4.340 0.000 0.000 0.274 216 Q C -0.978 175.079 176.000 0.094 0.000 1.074 216 Q CA -0.627 55.248 55.803 0.121 0.000 0.810 216 Q CB 2.659 31.424 28.738 0.045 0.000 1.342 216 Q HN 0.972 nan 8.270 nan 0.000 0.427 217 G N 0.375 109.206 108.800 0.052 0.000 2.337 217 G HA2 0.358 4.318 3.960 0.000 0.000 0.298 217 G HA3 0.358 4.318 3.960 0.000 0.000 0.298 217 G C -0.267 174.605 174.900 -0.047 0.000 1.335 217 G CA -0.132 44.969 45.100 0.003 0.000 0.875 217 G HN 0.722 nan 8.290 nan 0.000 0.579 218 A N -0.868 121.895 122.820 -0.095 0.000 2.070 218 A HA 0.321 4.641 4.320 0.000 0.000 0.220 218 A C 2.236 179.622 177.584 -0.330 0.000 1.159 218 A CA 2.715 54.655 52.037 -0.162 0.000 0.656 218 A CB -0.434 18.471 19.000 -0.160 0.000 0.800 218 A HN 1.994 nan 8.150 nan 0.000 0.453 219 G N -1.731 106.858 108.800 -0.352 0.000 3.189 219 G HA2 0.343 4.303 3.960 0.000 0.000 0.225 219 G HA3 0.343 4.303 3.960 0.000 0.000 0.225 219 G C 1.287 176.085 174.900 -0.169 0.000 1.159 219 G CA 0.851 45.672 45.100 -0.464 0.000 0.763 219 G HN 0.606 nan 8.290 nan 0.000 0.549 220 A N 1.462 124.224 122.820 -0.097 0.000 1.917 220 A HA 0.105 4.425 4.320 0.000 0.000 0.219 220 A C 2.760 180.331 177.584 -0.022 0.000 1.182 220 A CA 2.243 54.263 52.037 -0.027 0.000 0.633 220 A CB -0.712 18.338 19.000 0.084 0.000 0.819 220 A HN 0.796 nan 8.150 nan 0.000 0.448 221 A N -0.687 122.149 122.820 0.025 0.000 2.024 221 A HA -0.164 4.156 4.320 0.000 0.000 0.220 221 A C 1.356 178.948 177.584 0.012 0.000 1.164 221 A CA 1.775 53.841 52.037 0.048 0.000 0.643 221 A CB -0.339 18.703 19.000 0.069 0.000 0.806 221 A HN 0.481 nan 8.150 nan 0.000 0.451 222 D N -1.196 119.203 120.400 -0.002 0.000 2.388 222 D HA 0.196 4.836 4.640 0.000 0.000 0.221 222 D C -0.352 175.832 176.300 -0.193 0.000 1.133 222 D CA -0.036 53.935 54.000 -0.049 0.000 0.831 222 D CB -0.091 40.721 40.800 0.020 0.000 0.962 222 D HN 0.290 nan 8.370 nan 0.000 0.502 223 C N 1.546 120.607 119.300 -0.399 0.000 2.398 223 C HA 0.568 5.028 4.460 0.000 0.000 0.364 223 C C 0.532 175.015 174.990 -0.845 0.000 1.219 223 C CA -0.503 58.029 59.018 -0.811 0.000 2.312 223 C CB 0.833 27.686 27.740 -1.478 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.610 120.406 120.200 -0.673 0.000 2.401 224 E HA 0.455 4.805 4.350 0.000 0.000 0.280 224 E C -1.765 174.801 176.600 -0.056 0.000 1.039 224 E CA -0.690 55.600 56.400 -0.183 0.000 0.814 224 E CB 0.587 30.270 29.700 -0.027 0.000 1.275 224 E HN 0.356 nan 8.360 nan 0.000 0.448 225 F N 1.527 121.604 119.950 0.211 0.000 2.427 225 F HA 0.164 4.691 4.527 0.000 0.000 0.352 225 F C 1.777 177.601 175.800 0.039 0.000 1.100 225 F CA 0.012 58.099 58.000 0.144 0.000 1.191 225 F CB 1.440 40.513 39.000 0.121 0.000 1.128 225 F HN 0.771 nan 8.300 nan 0.000 0.533 226 E N 1.565 121.877 120.200 0.187 0.000 2.076 226 E HA -0.059 4.291 4.350 0.000 0.000 0.190 226 E C -0.385 176.251 176.600 0.060 0.000 0.979 226 E CA 1.035 57.486 56.400 0.084 0.000 0.807 226 E CB 0.400 30.124 29.700 0.039 0.000 0.761 226 E HN 0.752 nan 8.360 nan 0.000 0.454 227 E N -0.944 119.291 120.200 0.058 0.000 2.398 227 E HA 0.390 4.740 4.350 0.000 0.000 0.280 227 E C -1.329 175.129 176.600 -0.237 0.000 1.122 227 E CA -0.581 55.743 56.400 -0.127 0.000 0.873 227 E CB 0.361 29.980 29.700 -0.135 0.000 1.294 227 E HN 0.081 nan 8.360 nan 0.000 0.435 228 I N 0.560 120.750 120.570 -0.632 0.000 2.686 228 I HA 0.680 4.850 4.170 0.000 0.000 0.295 228 I C -0.919 174.762 176.117 -0.727 0.000 1.114 228 I CA -0.878 59.989 61.300 -0.722 0.000 1.038 228 I CB 2.392 39.704 38.000 -1.146 0.000 1.238 228 I HN 0.544 nan 8.210 nan 0.000 0.420 229 S N 3.624 119.097 115.700 -0.378 0.000 2.548 229 S HA 0.741 5.211 4.470 0.000 0.000 0.286 229 S C -1.508 173.026 174.600 -0.111 0.000 1.098 229 S CA -0.622 57.417 58.200 -0.268 0.000 0.930 229 S CB 2.012 65.099 63.200 -0.188 0.000 1.070 229 S HN 0.531 nan 8.310 nan 0.000 0.480 230 Y N -1.256 118.959 120.300 -0.143 0.000 2.562 230 Y HA 0.858 5.408 4.550 0.000 0.000 0.345 230 Y C -0.942 174.932 175.900 -0.043 0.000 1.045 230 Y CA -0.862 57.213 58.100 -0.041 0.000 1.028 230 Y CB 1.152 39.653 38.460 0.069 0.000 1.297 230 Y HN 0.434 nan 8.280 nan 0.000 0.463 231 T N 2.905 117.578 114.554 0.199 0.000 2.928 231 T HA 0.530 4.880 4.350 0.000 0.000 0.296 231 T C -1.456 173.333 174.700 0.149 0.000 1.000 231 T CA -0.653 61.476 62.100 0.048 0.000 0.989 231 T CB 1.507 70.343 68.868 -0.054 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.115 124.093 119.914 0.106 0.000 2.398 232 V HA 0.478 4.598 4.120 0.000 0.000 0.286 232 V C -1.127 175.005 176.094 0.064 0.000 1.026 232 V CA -0.761 61.640 62.300 0.169 0.000 0.868 232 V CB 0.833 32.755 31.823 0.166 0.000 0.982 232 V HN 0.806 nan 8.190 nan 0.000 0.443 233 Y N 3.018 123.503 120.300 0.308 0.000 2.352 233 Y HA 0.497 5.047 4.550 0.000 0.000 0.339 233 Y C 0.312 176.409 175.900 0.328 0.000 0.992 233 Y CA -0.324 57.953 58.100 0.295 0.000 1.100 233 Y CB 1.685 40.316 38.460 0.286 0.000 1.192 233 Y HN 0.574 nan 8.280 nan 0.000 0.458 234 Q N 2.136 122.200 119.800 0.440 0.000 2.271 234 Q HA 0.456 4.796 4.340 0.000 0.000 0.258 234 Q C -0.887 175.279 176.000 0.276 0.000 0.936 234 Q CA -0.578 55.395 55.803 0.284 0.000 0.909 234 Q CB 1.315 30.245 28.738 0.321 0.000 1.253 234 Q HN 0.656 nan 8.270 nan 0.000 0.440 235 S N 4.287 120.055 115.700 0.113 0.000 2.433 235 S HA 0.626 5.096 4.470 0.000 0.000 0.310 235 S C -1.386 173.303 174.600 0.148 0.000 1.097 235 S CA -0.380 57.916 58.200 0.161 0.000 1.103 235 S CB 0.251 63.648 63.200 0.328 0.000 0.992 235 S HN 0.565 nan 8.310 nan 0.000 0.469 236 Y N 2.116 122.425 120.300 0.016 0.000 2.689 236 Y HA 0.721 5.271 4.550 0.000 0.000 0.333 236 Y C -1.860 174.057 175.900 0.028 0.000 1.190 236 Y CA -1.578 56.522 58.100 0.001 0.000 1.063 236 Y CB 0.817 39.275 38.460 -0.003 0.000 1.294 236 Y HN 0.425 nan 8.280 nan 0.000 0.466 237 L N 2.430 123.759 121.223 0.178 0.000 2.313 237 L HA 0.481 4.821 4.340 0.000 0.000 0.283 237 L C -0.852 176.160 176.870 0.238 0.000 1.013 237 L CA -0.567 54.331 54.840 0.097 0.000 0.816 237 L CB 1.448 43.555 42.059 0.079 0.000 1.236 237 L HN 0.686 nan 8.230 nan 0.000 0.419 238 D N 1.916 122.433 120.400 0.195 0.000 2.449 238 D HA 0.238 4.878 4.640 0.000 0.000 0.250 238 D C -0.366 176.053 176.300 0.198 0.000 1.050 238 D CA 0.002 54.158 54.000 0.260 0.000 1.024 238 D CB 1.397 42.370 40.800 0.289 0.000 1.218 238 D HN 0.369 nan 8.370 nan 0.000 0.566 239 Q N 0.214 120.127 119.800 0.188 0.000 2.460 239 Q HA -0.175 4.165 4.340 0.000 0.000 0.311 239 Q C -0.458 175.632 176.000 0.150 0.000 1.396 239 Q CA 0.371 56.264 55.803 0.150 0.000 0.838 239 Q CB -1.873 26.938 28.738 0.122 0.000 1.140 239 Q HN 0.469 nan 8.270 nan 0.000 0.415 240 L N 2.040 123.392 121.223 0.216 0.000 2.490 240 L HA 0.131 4.471 4.340 0.000 0.000 0.274 240 L C -1.053 175.881 176.870 0.106 0.000 1.201 240 L CA -1.167 53.812 54.840 0.230 0.000 0.869 240 L CB -0.206 42.101 42.059 0.414 0.000 1.123 240 L HN 0.019 nan 8.230 nan 0.000 0.484 241 P HA 0.117 nan 4.420 nan 0.000 0.271 241 P C -0.848 176.370 177.300 -0.136 0.000 1.216 241 P CA -0.152 62.931 63.100 -0.029 0.000 0.771 241 P CB 1.295 33.000 31.700 0.009 0.000 0.864 242 V N 2.658 122.443 119.914 -0.216 0.000 2.628 242 V HA 0.737 4.857 4.120 0.000 0.000 0.306 242 V C 0.909 176.922 176.094 -0.135 0.000 1.045 242 V CA -0.147 61.978 62.300 -0.292 0.000 0.905 242 V CB 1.641 33.216 31.823 -0.413 0.000 0.997 242 V HN 0.893 nan 8.190 nan 0.000 0.436 243 G N 1.603 110.348 108.800 -0.092 0.000 3.257 243 G HA2 0.558 4.518 3.960 0.000 0.000 0.205 243 G HA3 0.558 4.518 3.960 0.000 0.000 0.205 243 G C 0.567 175.447 174.900 -0.033 0.000 1.234 243 G CA 0.580 45.653 45.100 -0.046 0.000 0.918 243 G HN 0.731 nan 8.290 nan 0.000 0.602 244 Q N -1.432 118.359 119.800 -0.015 0.000 1.942 244 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 244 Q C 2.527 178.528 176.000 0.002 0.000 0.987 244 Q CA 2.712 58.511 55.803 -0.007 0.000 0.844 244 Q CB -1.964 26.773 28.738 -0.001 0.000 0.911 244 Q HN 1.294 nan 8.270 nan 0.000 0.423 245 N N -0.023 118.684 118.700 0.012 0.000 2.573 245 N HA 0.386 5.126 4.740 0.000 0.000 0.187 245 N C 1.402 176.937 175.510 0.041 0.000 1.107 245 N CA 1.574 54.639 53.050 0.025 0.000 0.918 245 N CB -0.177 38.326 38.487 0.028 0.000 0.966 245 N HN 1.559 nan 8.380 nan 0.000 0.448 246 G N -1.688 107.129 108.800 0.029 0.000 2.295 246 G HA2 0.031 3.991 3.960 0.000 0.000 0.195 246 G HA3 0.031 3.991 3.960 0.000 0.000 0.195 246 G C -1.051 173.870 174.900 0.036 0.000 1.269 246 G CA -0.371 44.759 45.100 0.049 0.000 1.170 246 G HN 0.419 nan 8.290 nan 0.000 0.511 247 Y N 0.905 121.215 120.300 0.017 0.000 2.717 247 Y HA 0.392 4.942 4.550 0.000 0.000 0.330 247 Y C 1.505 177.415 175.900 0.017 0.000 1.217 247 Y CA 0.529 58.641 58.100 0.020 0.000 1.506 247 Y CB 0.337 38.811 38.460 0.023 0.000 1.268 247 Y HN 0.369 nan 8.280 nan 0.000 0.561 248 I N 6.183 126.828 120.570 0.126 0.000 2.322 248 I HA 0.181 4.351 4.170 0.000 0.000 0.292 248 I C -0.585 175.592 176.117 0.101 0.000 1.060 248 I CA 0.153 61.502 61.300 0.082 0.000 1.309 248 I CB -0.041 37.982 38.000 0.040 0.000 1.415 248 I HN 0.351 nan 8.210 nan 0.000 0.492 249 L N 8.560 129.833 121.223 0.082 0.000 2.401 249 L HA 0.511 4.851 4.340 0.000 0.000 0.266 249 L C -2.455 174.437 176.870 0.036 0.000 0.991 249 L CA -1.873 53.006 54.840 0.066 0.000 0.818 249 L CB 2.555 44.655 42.059 0.069 0.000 1.321 249 L HN 0.345 nan 8.230 nan 0.000 0.413 250 P HA 0.174 nan 4.420 nan 0.000 0.273 250 P C 0.644 177.943 177.300 -0.001 0.000 1.428 250 P CA -0.249 62.854 63.100 0.005 0.000 0.995 250 P CB 0.667 32.365 31.700 -0.003 0.000 1.286 251 L N 2.717 123.940 121.223 0.000 0.000 2.131 251 L HA -0.160 4.180 4.340 0.000 0.000 0.210 251 L C 2.378 179.238 176.870 -0.016 0.000 1.092 251 L CA 1.315 56.154 54.840 -0.002 0.000 0.759 251 L CB -0.553 41.507 42.059 0.002 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.391 120.160 120.570 -0.033 0.000 2.233 252 I HA -0.235 3.935 4.170 0.000 0.000 0.243 252 I C 2.117 178.188 176.117 -0.078 0.000 1.093 252 I CA 1.037 62.302 61.300 -0.057 0.000 1.380 252 I CB -0.424 37.532 38.000 -0.073 0.000 1.067 252 I HN 0.206 nan 8.210 nan 0.000 0.413 253 D N 1.321 121.676 120.400 -0.075 0.000 2.106 253 D HA -0.172 4.468 4.640 0.000 0.000 0.191 253 D C 2.198 178.474 176.300 -0.039 0.000 0.997 253 D CA 1.456 55.407 54.000 -0.082 0.000 0.834 253 D CB -0.398 40.372 40.800 -0.050 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.055 121.273 121.223 -0.008 0.000 2.465 254 L HA -0.003 4.337 4.340 0.000 0.000 0.224 254 L C 1.507 178.394 176.870 0.029 0.000 1.145 254 L CA 0.547 55.400 54.840 0.023 0.000 0.834 254 L CB 0.024 42.098 42.059 0.026 0.000 0.944 254 L HN -0.119 nan 8.230 nan 0.000 0.451 255 S N -1.636 114.065 115.700 0.001 0.000 2.554 255 S HA 0.121 4.591 4.470 0.000 0.000 0.226 255 S C 0.557 175.148 174.600 -0.015 0.000 0.980 255 S CA -0.149 58.052 58.200 0.003 0.000 0.939 255 S CB 0.415 63.612 63.200 -0.004 0.000 0.832 255 S HN 0.229 nan 8.310 nan 0.000 0.486 256 T N 2.495 117.029 114.554 -0.033 0.000 2.855 256 T HA 0.575 4.925 4.350 0.000 0.000 0.281 256 T C -0.465 174.227 174.700 -0.014 0.000 1.007 256 T CA -0.444 61.620 62.100 -0.062 0.000 1.009 256 T CB 1.290 70.050 68.868 -0.180 0.000 0.983 256 T HN 0.091 nan 8.240 nan 0.000 0.455 257 L N 2.965 124.180 121.223 -0.015 0.000 2.295 257 L HA 0.499 4.839 4.340 0.000 0.000 0.285 257 L C -1.000 175.955 176.870 0.143 0.000 1.035 257 L CA -1.120 53.694 54.840 -0.044 0.000 0.806 257 L CB 0.844 42.757 42.059 -0.243 0.000 1.214 257 L HN 0.626 nan 8.230 nan 0.000 0.426 258 Y N 4.042 124.396 120.300 0.090 0.000 2.388 258 Y HA 0.489 5.039 4.550 0.000 0.000 0.328 258 Y C -0.929 174.926 175.900 -0.074 0.000 0.963 258 Y CA -1.128 57.074 58.100 0.171 0.000 1.240 258 Y CB 0.650 39.346 38.460 0.392 0.000 1.118 258 Y HN 0.530 nan 8.280 nan 0.000 0.484 259 N N 5.027 123.278 118.700 -0.747 0.000 2.265 259 N HA 0.539 5.279 4.740 0.000 0.000 0.300 259 N C -1.898 173.096 175.510 -0.860 0.000 1.148 259 N CA -0.634 51.919 53.050 -0.828 0.000 0.772 259 N CB 2.281 40.269 38.487 -0.831 0.000 1.434 259 N HN 0.477 nan 8.380 nan 0.000 0.481 260 L N 0.769 121.698 121.223 -0.490 0.000 2.346 260 L HA 0.507 4.847 4.340 0.000 0.000 0.276 260 L C 0.118 176.985 176.870 -0.005 0.000 1.006 260 L CA -0.186 54.542 54.840 -0.187 0.000 0.817 260 L CB 1.289 43.218 42.059 -0.216 0.000 1.272 260 L HN 0.452 nan 8.230 nan 0.000 0.421 261 E N 1.745 122.080 120.200 0.225 0.000 2.390 261 E HA 0.443 4.793 4.350 0.000 0.000 0.277 261 E C -1.415 175.284 176.600 0.165 0.000 0.939 261 E CA -0.891 55.641 56.400 0.219 0.000 0.769 261 E CB 2.784 32.696 29.700 0.352 0.000 1.251 261 E HN 0.643 nan 8.360 nan 0.000 0.450 262 N N 0.311 119.042 118.700 0.052 0.000 2.381 262 N HA 0.573 5.313 4.740 0.000 0.000 0.294 262 N C -1.141 174.401 175.510 0.054 0.000 1.216 262 N CA -0.620 52.388 53.050 -0.070 0.000 0.803 262 N CB 2.174 40.521 38.487 -0.233 0.000 1.372 262 N HN 0.355 nan 8.380 nan 0.000 0.500 263 S N -1.501 114.229 115.700 0.051 0.000 2.643 263 S HA 0.828 5.298 4.470 0.000 0.000 0.270 263 S C -2.035 172.623 174.600 0.098 0.000 1.166 263 S CA -0.530 57.731 58.200 0.101 0.000 0.815 263 S CB 0.911 64.212 63.200 0.169 0.000 1.139 263 S HN 1.077 nan 8.310 nan 0.000 0.472 264 A N 1.837 124.723 122.820 0.109 0.000 2.414 264 A HA 0.848 5.168 4.320 0.000 0.000 0.306 264 A C -1.459 176.204 177.584 0.132 0.000 1.054 264 A CA -0.580 51.533 52.037 0.127 0.000 0.724 264 A CB 1.695 20.771 19.000 0.125 0.000 1.267 264 A HN 0.652 nan 8.150 nan 0.000 0.418 265 Q N 0.076 119.978 119.800 0.171 0.000 2.359 265 Q HA 0.721 5.061 4.340 0.000 0.000 0.274 265 Q C -0.705 175.453 176.000 0.263 0.000 1.074 265 Q CA -0.602 55.348 55.803 0.245 0.000 0.810 265 Q CB 2.530 31.464 28.738 0.326 0.000 1.342 265 Q HN 1.103 nan 8.270 nan 0.000 0.427 266 A N -0.429 122.552 122.820 0.268 0.000 2.486 266 A HA 0.914 5.234 4.320 0.000 0.000 0.289 266 A C 0.222 177.915 177.584 0.181 0.000 1.176 266 A CA -0.138 51.957 52.037 0.097 0.000 0.757 266 A CB 1.598 20.630 19.000 0.054 0.000 1.337 266 A HN 1.020 nan 8.150 nan 0.000 0.423 267 G N -0.977 107.818 108.800 -0.008 0.000 2.155 267 G HA2 0.016 3.976 3.960 0.000 0.000 0.135 267 G HA3 0.016 3.976 3.960 0.000 0.000 0.135 267 G C -0.416 174.477 174.900 -0.012 0.000 1.023 267 G CA -0.068 45.091 45.100 0.099 0.000 0.688 267 G HN 0.777 nan 8.290 nan 0.000 0.499 268 L N 1.447 122.442 121.223 -0.380 0.000 2.371 268 L HA 0.710 5.050 4.340 0.000 0.000 0.272 268 L C 0.566 177.346 176.870 -0.150 0.000 1.124 268 L CA 0.218 54.805 54.840 -0.421 0.000 0.816 268 L CB 1.508 43.186 42.059 -0.635 0.000 1.129 268 L HN 0.180 nan 8.230 nan 0.000 0.448 269 T N 1.899 116.400 114.554 -0.088 0.000 2.916 269 T HA 0.378 4.728 4.350 0.000 0.000 0.298 269 T C -2.667 172.002 174.700 -0.053 0.000 1.031 269 T CA -1.468 60.603 62.100 -0.047 0.000 0.993 269 T CB 1.868 70.728 68.868 -0.014 0.000 1.045 269 T HN 0.205 nan 8.240 nan 0.000 0.454 270 P HA 0.049 nan 4.420 nan 0.000 0.261 270 P C 0.353 177.625 177.300 -0.046 0.000 1.173 270 P CA 0.481 63.556 63.100 -0.042 0.000 0.760 270 P CB 0.121 31.806 31.700 -0.025 0.000 0.783 271 N N -0.864 117.796 118.700 -0.068 0.000 2.753 271 N HA -0.145 4.595 4.740 0.000 0.000 0.251 271 N C -0.604 174.871 175.510 -0.058 0.000 1.097 271 N CA 0.762 53.773 53.050 -0.065 0.000 0.786 271 N CB -1.665 36.806 38.487 -0.028 0.000 1.137 271 N HN 0.181 nan 8.380 nan 0.000 0.566 272 V N 0.804 120.678 119.914 -0.066 0.000 2.555 272 V HA 0.239 4.359 4.120 0.000 0.000 0.302 272 V C 0.084 176.147 176.094 -0.052 0.000 1.038 272 V CA -0.865 61.414 62.300 -0.036 0.000 0.887 272 V CB 2.192 34.012 31.823 -0.005 0.000 0.991 272 V HN -0.057 nan 8.190 nan 0.000 0.434 273 D N 3.233 123.613 120.400 -0.035 0.000 2.434 273 D HA 0.131 4.771 4.640 0.000 0.000 0.252 273 D C -0.579 175.732 176.300 0.017 0.000 1.185 273 D CA 0.493 54.468 54.000 -0.042 0.000 0.886 273 D CB 0.422 41.219 40.800 -0.004 0.000 1.148 273 D HN 0.344 nan 8.370 nan 0.000 0.483 274 F N 3.627 123.481 119.950 -0.160 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.726 175.015 175.800 -0.098 0.000 1.122 274 F CA -0.792 57.131 58.000 -0.129 0.000 1.090 274 F CB 0.790 39.687 39.000 -0.173 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.890 126.518 119.914 -0.476 0.000 2.417 275 V HA 0.423 4.543 4.120 0.000 0.000 0.291 275 V C -0.581 175.252 176.094 -0.435 0.000 1.024 275 V CA -0.895 61.206 62.300 -0.331 0.000 0.861 275 V CB 1.446 33.153 31.823 -0.193 0.000 0.985 275 V HN 0.493 nan 8.190 nan 0.000 0.436 276 V N 5.302 125.069 119.914 -0.245 0.000 2.328 276 V HA 0.332 4.452 4.120 0.000 0.000 0.278 276 V C 0.150 176.122 176.094 -0.202 0.000 1.021 276 V CA -0.620 61.549 62.300 -0.219 0.000 0.838 276 V CB 1.168 32.929 31.823 -0.103 0.000 0.999 276 V HN 0.932 nan 8.190 nan 0.000 0.447 277 Q N 3.255 122.942 119.800 -0.189 0.000 2.352 277 Q HA 0.356 4.696 4.340 0.000 0.000 0.260 277 Q C -1.169 174.684 176.000 -0.244 0.000 0.976 277 Q CA -0.063 55.651 55.803 -0.147 0.000 0.881 277 Q CB 1.000 29.678 28.738 -0.100 0.000 1.235 277 Q HN 0.654 nan 8.270 nan 0.000 0.419 278 Y N 0.357 120.546 120.300 -0.185 0.000 2.310 278 Y HA 0.378 4.928 4.550 0.000 0.000 0.326 278 Y C 0.514 176.303 175.900 -0.185 0.000 1.151 278 Y CA -0.532 57.349 58.100 -0.365 0.000 1.195 278 Y CB 1.033 39.203 38.460 -0.484 0.000 1.210 278 Y HN 0.670 nan 8.280 nan 0.000 0.483 279 A N 2.686 125.525 122.820 0.032 0.000 2.296 279 A HA 0.366 4.686 4.320 0.000 0.000 0.264 279 A C -0.200 177.367 177.584 -0.028 0.000 1.097 279 A CA -0.767 51.224 52.037 -0.078 0.000 0.811 279 A CB 0.029 18.849 19.000 -0.300 0.000 1.072 279 A HN 0.870 nan 8.150 nan 0.000 0.495 280 N N -1.216 117.397 118.700 -0.145 0.000 2.413 280 N HA 0.460 5.200 4.740 0.000 0.000 0.266 280 N C 0.253 175.666 175.510 -0.162 0.000 1.238 280 N CA -0.039 52.929 53.050 -0.137 0.000 0.972 280 N CB 0.876 39.272 38.487 -0.151 0.000 1.210 280 N HN 1.347 nan 8.380 nan 0.000 0.547 281 L N -3.580 117.611 121.223 -0.052 0.000 3.121 281 L HA -0.223 4.117 4.340 0.000 0.000 0.404 281 L C -1.057 176.093 176.870 0.465 0.000 0.695 281 L CA 1.671 56.626 54.840 0.192 0.000 3.096 281 L CB -1.592 40.505 42.059 0.063 0.000 0.683 281 L HN 0.633 nan 8.230 nan 0.000 0.743 282 Y N 2.150 122.468 120.300 0.030 0.000 2.309 282 Y HA 0.547 5.097 4.550 0.000 0.000 0.327 282 Y C 1.064 176.973 175.900 0.014 0.000 1.172 282 Y CA -0.597 57.380 58.100 -0.204 0.000 1.280 282 Y CB 0.409 38.275 38.460 -0.990 0.000 1.234 282 Y HN 0.180 nan 8.280 nan 0.000 0.512 283 R N 3.674 124.271 120.500 0.162 0.000 2.233 283 R HA 0.241 4.581 4.340 0.000 0.000 0.334 283 R C -1.482 174.898 176.300 0.132 0.000 1.037 283 R CA -0.580 55.619 56.100 0.165 0.000 0.920 283 R CB 0.194 30.526 30.300 0.055 0.000 1.137 283 R HN 0.504 nan 8.270 nan 0.000 0.492 284 Y N 3.161 123.589 120.300 0.213 0.000 2.486 284 Y HA 0.041 4.591 4.550 0.000 0.000 0.348 284 Y C 1.453 177.434 175.900 0.136 0.000 1.000 284 Y CA -0.235 58.006 58.100 0.235 0.000 1.253 284 Y CB 0.641 39.259 38.460 0.264 0.000 1.140 284 Y HN 0.453 nan 8.280 nan 0.000 0.526 285 L N 1.905 123.266 121.223 0.229 0.000 2.209 285 L HA 0.032 4.372 4.340 0.000 0.000 0.207 285 L C 0.765 177.759 176.870 0.207 0.000 1.094 285 L CA 0.600 55.514 54.840 0.125 0.000 0.790 285 L CB -0.119 41.932 42.059 -0.013 0.000 0.932 285 L HN 0.621 nan 8.230 nan 0.000 0.447 286 S N -1.982 113.901 115.700 0.305 0.000 2.570 286 S HA 0.607 5.077 4.470 0.000 0.000 0.270 286 S C -0.612 174.187 174.600 0.333 0.000 1.149 286 S CA -0.680 57.670 58.200 0.250 0.000 0.837 286 S CB 2.374 65.772 63.200 0.329 0.000 1.124 286 S HN -0.074 nan 8.310 nan 0.000 0.465 287 T N 1.956 116.617 114.554 0.179 0.000 2.881 287 T HA 0.609 4.959 4.350 0.000 0.000 0.290 287 T C -0.947 173.739 174.700 -0.024 0.000 1.000 287 T CA -0.416 61.741 62.100 0.095 0.000 0.978 287 T CB 0.886 69.855 68.868 0.169 0.000 0.997 287 T HN 0.659 nan 8.240 nan 0.000 0.443 288 I N 2.290 122.777 120.570 -0.139 0.000 2.465 288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 288 I C -0.350 175.633 176.117 -0.224 0.000 1.014 288 I CA -0.967 60.302 61.300 -0.052 0.000 1.093 288 I CB 1.737 39.808 38.000 0.118 0.000 1.267 288 I HN 0.726 nan 8.210 nan 0.000 0.431 289 A N 6.364 129.111 122.820 -0.122 0.000 2.335 289 A HA 0.748 5.068 4.320 0.000 0.000 0.304 289 A C -1.083 176.606 177.584 0.176 0.000 1.118 289 A CA -0.476 51.503 52.037 -0.097 0.000 0.757 289 A CB 1.381 20.211 19.000 -0.284 0.000 1.188 289 A HN 0.397 nan 8.150 nan 0.000 0.460 290 V N 3.346 123.391 119.914 0.218 0.000 2.370 290 V HA 0.305 4.425 4.120 0.000 0.000 0.283 290 V C -0.654 175.656 176.094 0.361 0.000 1.023 290 V CA -0.381 62.095 62.300 0.293 0.000 0.857 290 V CB 1.169 33.132 31.823 0.233 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.324 125.393 119.950 0.198 0.000 2.451 291 F HA 0.360 4.887 4.527 0.000 0.000 0.356 291 F C 0.470 176.176 175.800 -0.157 0.000 1.178 291 F CA -1.821 56.206 58.000 0.046 0.000 1.210 291 F CB 0.140 39.184 39.000 0.073 0.000 1.504 291 F HN 0.604 nan 8.300 nan 0.000 0.598 292 D N 4.102 124.503 120.400 0.002 0.000 2.435 292 D HA -0.030 4.610 4.640 0.000 0.000 0.230 292 D C -0.059 175.916 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.779 54.000 -0.517 0.000 0.947 292 D CB -0.321 40.421 40.800 -0.097 0.000 1.048 292 D HN 0.255 nan 8.370 nan 0.000 0.512 293 N N 2.853 120.979 118.700 -0.958 0.000 3.178 293 N HA 0.199 4.939 4.740 0.000 0.000 0.300 293 N C 0.738 175.947 175.510 -0.501 0.000 1.242 293 N CA 0.451 52.985 53.050 -0.859 0.000 1.192 293 N CB -0.470 37.304 38.487 -1.188 0.000 1.463 293 N HN 0.612 nan 8.380 nan 0.000 0.539 294 G N 0.807 109.411 108.800 -0.328 0.000 2.295 294 G HA2 -0.208 3.752 3.960 0.000 0.000 0.287 294 G HA3 -0.208 3.752 3.960 0.000 0.000 0.287 294 G C 0.964 175.736 174.900 -0.214 0.000 1.055 294 G CA 0.505 45.479 45.100 -0.210 0.000 0.922 294 G HN 1.094 nan 8.290 nan 0.000 0.503 295 G N -2.327 106.302 108.800 -0.285 0.000 2.195 295 G HA2 -0.056 3.904 3.960 0.000 0.000 0.246 295 G HA3 -0.056 3.904 3.960 0.000 0.000 0.246 295 G C 0.464 175.232 174.900 -0.221 0.000 0.984 295 G CA 0.695 45.695 45.100 -0.167 0.000 0.633 295 G HN 1.747 nan 8.290 nan 0.000 0.525 296 S N 0.077 115.515 115.700 -0.436 0.000 2.489 296 S HA 0.768 5.238 4.470 0.000 0.000 0.291 296 S C -0.818 173.377 174.600 -0.676 0.000 1.151 296 S CA -0.332 57.660 58.200 -0.347 0.000 1.082 296 S CB 0.903 63.937 63.200 -0.277 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.979 122.827 119.950 -0.170 0.000 2.445 297 F HA 0.438 4.965 4.527 0.000 0.000 0.348 297 F C 0.461 176.203 175.800 -0.097 0.000 1.125 297 F CA -0.852 57.058 58.000 -0.150 0.000 0.983 297 F CB 1.158 40.070 39.000 -0.146 0.000 1.198 297 F HN 0.391 nan 8.300 nan 0.000 0.436 298 N N 1.426 120.128 118.700 0.002 0.000 2.430 298 N HA 0.512 5.252 4.740 0.000 0.000 0.298 298 N C -0.454 175.126 175.510 0.118 0.000 1.130 298 N CA -0.702 52.371 53.050 0.038 0.000 0.894 298 N CB 2.174 40.649 38.487 -0.020 0.000 1.209 298 N HN 0.556 nan 8.380 nan 0.000 0.503 299 A N 0.493 123.378 122.820 0.108 0.000 3.063 299 A HA 0.471 4.791 4.320 0.000 0.000 0.263 299 A C 1.327 179.022 177.584 0.186 0.000 1.736 299 A CA 0.278 52.397 52.037 0.135 0.000 1.408 299 A CB -1.397 17.662 19.000 0.097 0.000 1.108 299 A HN 0.907 nan 8.150 nan 0.000 0.621 300 G N 1.024 109.998 108.800 0.290 0.000 2.257 300 G HA2 -0.414 3.546 3.960 0.000 0.000 0.267 300 G HA3 -0.414 3.546 3.960 0.000 0.000 0.267 300 G C 1.285 176.274 174.900 0.147 0.000 0.984 300 G CA 1.564 46.827 45.100 0.272 0.000 0.626 300 G HN 1.505 nan 8.290 nan 0.000 0.540 301 T N -0.720 113.901 114.554 0.112 0.000 3.051 301 T HA 0.072 4.422 4.350 0.000 0.000 0.269 301 T C 1.488 176.219 174.700 0.053 0.000 1.127 301 T CA 1.796 63.937 62.100 0.068 0.000 1.107 301 T CB -0.186 68.710 68.868 0.047 0.000 0.898 301 T HN 0.613 nan 8.240 nan 0.000 0.517 302 D N 0.364 120.808 120.400 0.073 0.000 2.368 302 D HA 0.232 4.872 4.640 0.000 0.000 0.218 302 D C 0.204 176.590 176.300 0.144 0.000 1.112 302 D CA -0.490 53.561 54.000 0.084 0.000 0.834 302 D CB -0.248 40.563 40.800 0.018 0.000 0.953 302 D HN 0.470 nan 8.370 nan 0.000 0.505 303 I N 0.448 121.057 120.570 0.065 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.627 176.693 176.117 -0.085 0.000 1.040 303 I CA -0.875 60.388 61.300 -0.061 0.000 1.068 303 I CB 2.145 40.041 38.000 -0.173 0.000 1.251 303 I HN -0.271 nan 8.210 nan 0.000 0.424 304 N N 3.707 122.308 118.700 -0.165 0.000 2.197 304 N HA 0.012 4.752 4.740 0.000 0.000 0.184 304 N C -0.589 174.921 175.510 0.001 0.000 1.030 304 N CA 1.386 54.383 53.050 -0.089 0.000 0.851 304 N CB 0.276 38.669 38.487 -0.157 0.000 1.003 304 N HN 0.630 nan 8.380 nan 0.000 0.430 305 Y N -1.918 118.299 120.300 -0.138 0.000 2.713 305 Y HA 0.634 5.184 4.550 0.000 0.000 0.335 305 Y C -1.763 173.954 175.900 -0.306 0.000 1.222 305 Y CA -1.430 56.569 58.100 -0.167 0.000 1.061 305 Y CB 0.485 38.889 38.460 -0.093 0.000 1.314 305 Y HN -0.275 nan 8.280 nan 0.000 0.453 306 L N 1.702 122.834 121.223 -0.152 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.095 176.628 176.870 -0.246 0.000 1.014 306 L CA -0.556 53.952 54.840 -0.554 0.000 0.820 306 L CB 2.200 43.422 42.059 -1.395 0.000 1.352 306 L HN 0.898 nan 8.230 nan 0.000 0.421 307 S N -0.169 115.301 115.700 -0.384 0.000 2.636 307 S HA 0.567 5.037 4.470 0.000 0.000 0.266 307 S C -2.096 172.388 174.600 -0.194 0.000 1.147 307 S CA -0.634 57.537 58.200 -0.048 0.000 0.815 307 S CB 1.540 64.749 63.200 0.016 0.000 1.119 307 S HN 0.579 nan 8.310 nan 0.000 0.470 308 Q N 1.159 120.960 119.800 0.002 0.000 2.321 308 Q HA 0.540 4.880 4.340 0.000 0.000 0.270 308 Q C -0.994 175.020 176.000 0.024 0.000 1.032 308 Q CA -0.596 55.234 55.803 0.046 0.000 0.784 308 Q CB 2.334 31.154 28.738 0.136 0.000 1.264 308 Q HN 0.557 nan 8.270 nan 0.000 0.448 309 R N 1.251 121.771 120.500 0.033 0.000 2.686 309 R HA 0.570 4.910 4.340 0.000 0.000 0.283 309 R C -1.293 175.018 176.300 0.017 0.000 0.978 309 R CA -0.305 55.799 56.100 0.008 0.000 0.897 309 R CB 1.958 32.255 30.300 -0.004 0.000 1.192 309 R HN 0.503 nan 8.270 nan 0.000 0.457 310 T N 2.255 116.804 114.554 -0.009 0.000 2.794 310 T HA 0.420 4.770 4.350 0.000 0.000 0.280 310 T C -0.286 174.411 174.700 -0.004 0.000 0.987 310 T CA -0.455 61.643 62.100 -0.003 0.000 0.993 310 T CB 1.520 70.371 68.868 -0.028 0.000 0.939 310 T HN 0.696 nan 8.240 nan 0.000 0.449 311 A N 2.984 125.807 122.820 0.004 0.000 2.545 311 A HA 0.474 4.794 4.320 0.000 0.000 0.253 311 A C 1.330 178.912 177.584 -0.004 0.000 1.074 311 A CA 0.564 52.599 52.037 -0.003 0.000 0.760 311 A CB -1.631 17.367 19.000 -0.003 0.000 1.005 311 A HN 1.836 nan 8.150 nan 0.000 0.506 312 N N -1.078 117.617 118.700 -0.009 0.000 2.818 312 N HA 0.108 4.848 4.740 0.000 0.000 0.250 312 N C 0.438 175.941 175.510 -0.013 0.000 1.108 312 N CA 2.239 55.283 53.050 -0.009 0.000 0.745 312 N CB -2.248 36.237 38.487 -0.004 0.000 1.104 312 N HN 2.377 nan 8.380 nan 0.000 0.557 313 F N -1.644 118.292 119.950 -0.023 0.000 3.083 313 F HA 0.803 5.330 4.527 0.000 0.000 0.355 313 F C 1.466 177.237 175.800 -0.049 0.000 1.194 313 F CA 1.324 59.301 58.000 -0.038 0.000 1.027 313 F CB -0.439 38.531 39.000 -0.051 0.000 1.386 313 F HN 1.793 nan 8.300 nan 0.000 0.513 314 S N 0.106 115.783 115.700 -0.038 0.000 3.307 314 S HA -0.183 4.287 4.470 0.000 0.000 0.634 314 S C -0.546 174.027 174.600 -0.046 0.000 2.711 314 S CA 0.839 59.014 58.200 -0.041 0.000 2.940 314 S CB -1.276 61.896 63.200 -0.046 0.000 0.331 314 S HN 0.780 nan 8.310 nan 0.000 1.766 315 D N 1.309 121.679 120.400 -0.051 0.000 2.308 315 D HA 0.330 4.970 4.640 0.000 0.000 0.251 315 D C 1.216 177.485 176.300 -0.052 0.000 1.127 315 D CA 0.624 54.596 54.000 -0.048 0.000 0.876 315 D CB 1.250 42.012 40.800 -0.063 0.000 1.176 315 D HN 0.710 nan 8.370 nan 0.000 0.446 316 T N -0.715 113.813 114.554 -0.043 0.000 3.044 316 T HA 0.036 4.386 4.350 0.000 0.000 0.250 316 T C 0.945 175.626 174.700 -0.033 0.000 1.081 316 T CA -0.261 61.807 62.100 -0.053 0.000 1.040 316 T CB 0.179 69.004 68.868 -0.071 0.000 0.962 316 T HN 0.602 nan 8.240 nan 0.000 0.506 317 R N 0.295 120.794 120.500 -0.002 0.000 2.747 317 R HA 0.305 4.645 4.340 0.000 0.000 0.200 317 R C -0.913 175.453 176.300 0.109 0.000 1.438 317 R CA -0.657 55.459 56.100 0.027 0.000 1.334 317 R CB -0.335 29.960 30.300 -0.009 0.000 1.523 317 R HN 0.088 nan 8.270 nan 0.000 0.741 318 K N 2.950 123.368 120.400 0.030 0.000 2.310 318 K HA 0.320 4.640 4.320 0.000 0.000 0.290 318 K C -0.971 175.648 176.600 0.032 0.000 1.077 318 K CA -0.162 56.121 56.287 -0.008 0.000 0.922 318 K CB 0.524 32.906 32.500 -0.196 0.000 1.057 318 K HN 0.450 nan 8.250 nan 0.000 0.479 319 L N 3.357 124.687 121.223 0.178 0.000 2.388 319 L HA 0.330 4.670 4.340 0.000 0.000 0.264 319 L C -0.441 176.562 176.870 0.221 0.000 0.998 319 L CA -1.364 53.600 54.840 0.208 0.000 0.817 319 L CB 2.064 44.321 42.059 0.329 0.000 1.338 319 L HN 0.755 nan 8.230 nan 0.000 0.414 320 D N 0.593 121.095 120.400 0.171 0.000 2.368 320 D HA 0.129 4.769 4.640 0.000 0.000 0.240 320 D C -2.114 174.300 176.300 0.190 0.000 1.169 320 D CA -1.137 52.958 54.000 0.158 0.000 0.906 320 D CB 0.628 41.500 40.800 0.120 0.000 1.187 320 D HN 0.193 nan 8.370 nan 0.000 0.435 321 P HA -0.218 nan 4.420 nan 0.000 0.216 321 P C 1.168 178.644 177.300 0.293 0.000 1.153 321 P CA 1.518 64.727 63.100 0.182 0.000 0.858 321 P CB 0.076 31.852 31.700 0.127 0.000 0.789 322 K N -0.946 119.585 120.400 0.218 0.000 2.097 322 K HA -0.089 4.231 4.320 0.000 0.000 0.205 322 K C 1.740 178.465 176.600 0.208 0.000 1.050 322 K CA 1.649 58.057 56.287 0.201 0.000 0.938 322 K CB -0.429 32.155 32.500 0.139 0.000 0.718 322 K HN 0.057 nan 8.250 nan 0.000 0.442 323 T N 0.455 115.130 114.554 0.201 0.000 2.904 323 T HA -0.147 4.203 4.350 0.000 0.000 0.267 323 T C 1.143 175.976 174.700 0.222 0.000 1.059 323 T CA 0.815 63.018 62.100 0.172 0.000 1.137 323 T CB -0.205 68.745 68.868 0.136 0.000 0.879 323 T HN 0.445 nan 8.240 nan 0.000 0.467 324 W N 2.176 123.547 121.300 0.119 0.000 2.358 324 W HA -0.073 4.587 4.660 0.000 0.000 0.303 324 W C 2.447 179.086 176.519 0.200 0.000 1.208 324 W CA 1.245 58.681 57.345 0.153 0.000 1.274 324 W CB -0.569 28.991 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.882 123.995 122.820 0.489 0.000 1.972 325 A HA -0.062 4.258 4.320 0.000 0.000 0.219 325 A C 2.179 179.883 177.584 0.200 0.000 1.169 325 A CA 2.493 54.750 52.037 0.366 0.000 0.635 325 A CB -1.199 17.992 19.000 0.318 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.837 122.074 122.820 0.152 0.000 1.902 326 A HA -0.199 4.121 4.320 0.000 0.000 0.217 326 A C 2.115 179.731 177.584 0.054 0.000 1.181 326 A CA 1.606 53.696 52.037 0.088 0.000 0.623 326 A CB -0.480 18.564 19.000 0.074 0.000 0.818 326 A HN 0.533 nan 8.150 nan 0.000 0.443 327 Q N -0.632 119.178 119.800 0.016 0.000 2.124 327 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 327 Q C 2.146 178.163 176.000 0.028 0.000 0.977 327 Q CA 1.995 57.777 55.803 -0.034 0.000 0.850 327 Q CB -0.916 27.717 28.738 -0.174 0.000 0.901 327 Q HN 0.655 nan 8.270 nan 0.000 0.429 328 T N 1.010 115.618 114.554 0.089 0.000 2.821 328 T HA -0.073 4.277 4.350 0.000 0.000 0.267 328 T C 1.805 176.568 174.700 0.105 0.000 1.046 328 T CA 0.742 62.968 62.100 0.210 0.000 1.139 328 T CB -0.062 69.025 68.868 0.365 0.000 0.871 328 T HN 0.255 nan 8.240 nan 0.000 0.454 329 R N 0.728 121.269 120.500 0.068 0.000 2.159 329 R HA 0.018 4.358 4.340 0.000 0.000 0.237 329 R C 2.456 178.761 176.300 0.008 0.000 1.131 329 R CA 0.784 56.895 56.100 0.018 0.000 0.982 329 R CB -0.081 30.234 30.300 0.025 0.000 0.868 329 R HN 0.232 nan 8.270 nan 0.000 0.453 330 R N 0.172 120.688 120.500 0.026 0.000 2.189 330 R HA 0.007 4.347 4.340 0.000 0.000 0.218 330 R C 1.872 178.188 176.300 0.027 0.000 1.074 330 R CA 0.751 56.864 56.100 0.021 0.000 0.991 330 R CB 0.012 30.325 30.300 0.023 0.000 0.883 330 R HN 0.171 nan 8.270 nan 0.000 0.457 331 R N 0.429 120.958 120.500 0.049 0.000 2.146 331 R HA 0.151 4.491 4.340 0.000 0.000 0.206 331 R C 2.033 178.320 176.300 -0.022 0.000 1.049 331 R CA 0.770 56.907 56.100 0.062 0.000 1.029 331 R CB 0.018 30.435 30.300 0.195 0.000 0.949 331 R HN 0.319 nan 8.270 nan 0.000 0.471 332 I N -3.942 116.573 120.570 -0.091 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.479 176.502 176.117 -0.156 0.000 1.473 332 I CA 0.093 61.284 61.300 -0.182 0.000 1.124 332 I CB 0.883 38.639 38.000 -0.407 0.000 1.129 332 I HN -0.037 nan 8.210 nan 0.000 0.428 333 A N 0.250 123.012 122.820 -0.096 0.000 2.861 333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 333 A C 0.640 178.175 177.584 -0.082 0.000 1.351 333 A CA 1.681 53.674 52.037 -0.074 0.000 0.904 333 A CB -2.303 16.657 19.000 -0.067 0.000 1.076 333 A HN 0.814 nan 8.150 nan 0.000 0.729 334 T N -1.863 112.623 114.554 -0.113 0.000 2.654 334 T HA 0.492 4.842 4.350 0.000 0.000 0.303 334 T C -2.140 172.478 174.700 -0.136 0.000 1.656 334 T CA 0.130 62.166 62.100 -0.106 0.000 0.971 334 T CB 0.918 69.715 68.868 -0.118 0.000 1.811 334 T HN 0.286 nan 8.240 nan 0.000 0.483 335 D N 0.622 120.961 120.400 -0.101 0.000 2.181 335 D HA 0.530 5.170 4.640 0.000 0.000 0.248 335 D C -0.253 175.958 176.300 -0.148 0.000 1.020 335 D CA -0.114 53.847 54.000 -0.064 0.000 0.891 335 D CB 0.765 41.576 40.800 0.020 0.000 1.187 335 D HN 0.288 nan 8.370 nan 0.000 0.443 336 F N 0.728 120.609 119.950 -0.115 0.000 2.435 336 F HA 0.226 4.753 4.527 0.000 0.000 0.316 336 F C -1.333 174.360 175.800 -0.179 0.000 1.220 336 F CA -1.322 56.532 58.000 -0.243 0.000 1.241 336 F CB -0.215 38.535 39.000 -0.417 0.000 1.234 336 F HN 0.084 nan 8.300 nan 0.000 0.569 337 P HA 0.003 nan 4.420 nan 0.000 0.271 337 P C -1.111 176.215 177.300 0.044 0.000 1.238 337 P CA -0.290 62.867 63.100 0.096 0.000 0.794 337 P CB 0.311 32.163 31.700 0.252 0.000 0.959 338 K N 1.016 121.450 120.400 0.058 0.000 2.511 338 K HA 0.148 4.468 4.320 0.000 0.000 0.280 338 K C 1.270 177.929 176.600 0.097 0.000 1.008 338 K CA 1.233 57.556 56.287 0.060 0.000 1.050 338 K CB -0.732 31.825 32.500 0.094 0.000 0.889 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 G N 1.194 110.003 108.800 0.015 0.000 2.179 339 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 339 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 339 G C 0.009 174.862 174.900 -0.078 0.000 0.977 339 G CA 0.042 45.216 45.100 0.123 0.000 0.641 339 G HN 0.427 nan 8.290 nan 0.000 0.533 340 V N 1.059 120.756 119.914 -0.361 0.000 2.350 340 V HA 0.642 4.762 4.120 0.000 0.000 0.276 340 V C -0.320 175.416 176.094 -0.597 0.000 1.028 340 V CA -0.803 61.293 62.300 -0.341 0.000 0.860 340 V CB 0.795 32.396 31.823 -0.371 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.453 341 Y N 4.301 124.652 120.300 0.084 0.000 2.364 341 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 341 Y C -0.470 175.624 175.900 0.324 0.000 0.975 341 Y CA -0.826 57.429 58.100 0.259 0.000 1.089 341 Y CB 1.695 40.246 38.460 0.153 0.000 1.192 341 Y HN 0.639 nan 8.280 nan 0.000 0.454 342 Y N 2.392 122.990 120.300 0.495 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.137 175.051 175.900 0.481 0.000 1.021 342 Y CA -1.806 56.485 58.100 0.318 0.000 1.079 342 Y CB 1.700 40.264 38.460 0.173 0.000 1.226 342 Y HN 0.805 nan 8.280 nan 0.000 0.460 343 C N 6.565 125.599 119.300 -0.443 0.000 2.516 343 C HA 0.374 4.834 4.460 0.000 0.000 0.338 343 C C -1.380 173.205 174.990 -0.675 0.000 1.132 343 C CA -0.690 58.120 59.018 -0.347 0.000 1.310 343 C CB 0.006 27.932 27.740 0.310 0.000 1.898 343 C HN 0.890 nan 8.230 nan 0.000 0.452 344 D N 3.957 124.044 120.400 -0.522 0.000 2.274 344 D HA 0.326 4.966 4.640 0.000 0.000 0.239 344 D C 0.040 176.305 176.300 -0.058 0.000 1.104 344 D CA 0.232 54.102 54.000 -0.217 0.000 0.840 344 D CB 0.803 41.615 40.800 0.021 0.000 1.100 344 D HN 0.711 nan 8.370 nan 0.000 0.477 345 N N 3.381 122.093 118.700 0.019 0.000 2.451 345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 345 N C 1.067 176.617 175.510 0.065 0.000 1.410 345 N CA -0.149 52.929 53.050 0.046 0.000 0.884 345 N CB 0.710 39.236 38.487 0.066 0.000 1.332 345 N HN 0.361 nan 8.380 nan 0.000 0.498 346 R N 0.482 121.028 120.500 0.076 0.000 2.081 346 R HA -0.041 4.299 4.340 0.000 0.000 0.235 346 R C 0.762 177.088 176.300 0.043 0.000 1.131 346 R CA 1.134 57.275 56.100 0.068 0.000 0.960 346 R CB 0.090 30.464 30.300 0.124 0.000 0.856 346 R HN 0.111 nan 8.270 nan 0.000 0.436 347 D N 0.427 120.857 120.400 0.050 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.192 176.519 176.300 0.045 0.000 0.965 347 D CA 1.262 55.288 54.000 0.042 0.000 0.852 347 D CB 0.233 41.057 40.800 0.041 0.000 0.947 347 D HN 0.117 nan 8.370 nan 0.000 0.494 348 K N 0.792 121.225 120.400 0.056 0.000 2.814 348 K HA 0.288 4.608 4.320 0.000 0.000 0.205 348 K C -2.770 173.885 176.600 0.091 0.000 1.093 348 K CA -1.437 54.897 56.287 0.078 0.000 1.035 348 K CB 2.538 35.094 32.500 0.094 0.000 1.220 348 K HN -0.134 nan 8.250 nan 0.000 0.576 349 P HA -0.026 nan 4.420 nan 0.000 0.266 349 P C -0.090 177.307 177.300 0.163 0.000 1.195 349 P CA -0.205 62.964 63.100 0.114 0.000 0.768 349 P CB 0.450 32.205 31.700 0.090 0.000 0.838 350 I N 3.828 124.483 120.570 0.140 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.026 176.266 176.117 0.292 0.000 1.134 350 I CA 0.401 61.743 61.300 0.070 0.000 1.410 350 I CB -1.181 36.601 38.000 -0.362 0.000 1.392 350 I HN 0.422 nan 8.210 nan 0.000 0.545 351 Y N 5.952 126.310 120.300 0.097 0.000 2.317 351 Y HA 0.125 4.675 4.550 0.000 0.000 0.329 351 Y C 1.257 177.192 175.900 0.060 0.000 1.101 351 Y CA -0.961 57.200 58.100 0.101 0.000 1.228 351 Y CB 1.243 39.743 38.460 0.067 0.000 1.123 351 Y HN 0.737 nan 8.280 nan 0.000 0.457 352 T N -0.072 114.362 114.554 -0.199 0.000 2.778 352 T HA -0.233 4.117 4.350 0.000 0.000 0.269 352 T C 1.776 176.269 174.700 -0.345 0.000 1.050 352 T CA 1.862 63.839 62.100 -0.206 0.000 1.137 352 T CB -0.764 68.020 68.868 -0.140 0.000 0.860 352 T HN 0.707 nan 8.240 nan 0.000 0.468 353 L N 0.354 121.133 121.223 -0.741 0.000 2.713 353 L HA 0.489 4.829 4.340 0.000 0.000 0.245 353 L C 2.207 178.871 176.870 -0.343 0.000 1.169 353 L CA 1.345 55.852 54.840 -0.555 0.000 0.962 353 L CB -1.692 39.968 42.059 -0.666 0.000 1.161 353 L HN 0.704 nan 8.230 nan 0.000 0.427 354 Q N -2.339 117.285 119.800 -0.293 0.000 2.519 354 Q HA 0.116 4.455 4.340 0.000 0.000 0.248 354 Q C 0.080 175.802 176.000 -0.463 0.000 0.804 354 Q CA 0.245 55.859 55.803 -0.314 0.000 0.979 354 Q CB 0.970 29.567 28.738 -0.234 0.000 1.282 354 Q HN 0.662 nan 8.270 nan 0.000 0.558 355 Y N 0.263 120.547 120.300 -0.026 0.000 2.712 355 Y HA 0.438 4.988 4.550 0.000 0.000 0.250 355 Y C 0.498 176.377 175.900 -0.036 0.000 1.101 355 Y CA 0.022 58.110 58.100 -0.020 0.000 1.118 355 Y CB 1.213 39.669 38.460 -0.005 0.000 1.203 355 Y HN 0.334 nan 8.280 nan 0.000 0.587 356 G N 1.191 110.021 108.800 0.049 0.000 2.726 356 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 356 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 356 G C -0.046 174.865 174.900 0.018 0.000 1.352 356 G CA -0.289 44.818 45.100 0.012 0.000 0.906 356 G HN 0.554 nan 8.290 nan 0.000 0.566 357 N N -0.485 118.218 118.700 0.005 0.000 2.256 357 N HA 0.205 4.945 4.740 0.000 0.000 0.277 357 N C -0.042 175.491 175.510 0.039 0.000 1.362 357 N CA 0.140 53.198 53.050 0.012 0.000 0.861 357 N CB 0.384 38.870 38.487 -0.001 0.000 1.136 357 N HN 0.508 nan 8.380 nan 0.000 0.492 358 V N 1.206 121.164 119.914 0.073 0.000 2.628 358 V HA 0.740 4.860 4.120 0.000 0.000 0.306 358 V C 0.715 176.968 176.094 0.266 0.000 1.045 358 V CA -0.752 61.618 62.300 0.116 0.000 0.905 358 V CB 1.931 33.775 31.823 0.035 0.000 0.997 358 V HN 0.734 nan 8.190 nan 0.000 0.436 359 G N 1.805 110.750 108.800 0.241 0.000 2.574 359 G HA2 0.662 4.622 3.960 0.000 0.000 0.299 359 G HA3 0.662 4.622 3.960 0.000 0.000 0.299 359 G C -1.854 173.211 174.900 0.276 0.000 1.298 359 G CA -0.611 44.617 45.100 0.212 0.000 0.952 359 G HN 0.476 nan 8.290 nan 0.000 0.477 360 F N 1.781 121.750 119.950 0.031 0.000 2.408 360 F HA 0.645 5.172 4.527 0.000 0.000 0.344 360 F C -0.261 175.522 175.800 -0.029 0.000 1.112 360 F CA -0.513 57.527 58.000 0.066 0.000 1.096 360 F CB 1.703 40.681 39.000 -0.035 0.000 1.129 360 F HN 0.274 nan 8.300 nan 0.000 0.486 361 V N 6.500 126.102 119.914 -0.522 0.000 2.555 361 V HA 0.584 4.704 4.120 0.000 0.000 0.302 361 V C -0.859 174.991 176.094 -0.407 0.000 1.038 361 V CA -0.876 61.239 62.300 -0.308 0.000 0.887 361 V CB 1.653 33.378 31.823 -0.163 0.000 0.991 361 V HN 0.564 nan 8.190 nan 0.000 0.434 362 V N 3.945 123.727 119.914 -0.219 0.000 2.482 362 V HA 0.439 4.559 4.120 0.000 0.000 0.295 362 V C -0.365 175.513 176.094 -0.361 0.000 1.026 362 V CA -0.633 61.468 62.300 -0.331 0.000 0.856 362 V CB 1.932 33.584 31.823 -0.284 0.000 1.001 362 V HN 0.893 nan 8.190 nan 0.000 0.424 363 N N 7.144 125.485 118.700 -0.598 0.000 2.546 363 N HA 0.366 5.106 4.740 0.000 0.000 0.238 363 N C -2.722 172.493 175.510 -0.491 0.000 0.984 363 N CA -1.612 51.070 53.050 -0.612 0.000 0.935 363 N CB 2.467 40.273 38.487 -1.135 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.147 nan 4.420 nan 0.000 0.279 364 P C 0.131 177.359 177.300 -0.121 0.000 1.239 364 P CA -0.179 62.783 63.100 -0.231 0.000 0.789 364 P CB 2.069 33.629 31.700 -0.235 0.000 0.933 365 K N 1.473 121.847 120.400 -0.044 0.000 2.202 365 K HA 0.091 4.411 4.320 0.000 0.000 0.201 365 K C -0.007 176.593 176.600 -0.001 0.000 1.051 365 K CA 0.912 57.184 56.287 -0.025 0.000 0.977 365 K CB 0.311 32.806 32.500 -0.008 0.000 0.792 365 K HN 0.416 nan 8.250 nan 0.000 0.469 366 T N 0.915 115.490 114.554 0.035 0.000 2.881 366 T HA 0.415 4.765 4.350 0.000 0.000 0.290 366 T C -1.457 173.275 174.700 0.054 0.000 1.000 366 T CA -0.682 61.429 62.100 0.018 0.000 0.978 366 T CB 2.220 71.080 68.868 -0.013 0.000 0.997 366 T HN -0.181 nan 8.240 nan 0.000 0.443 367 V N 4.591 124.516 119.914 0.017 0.000 2.409 367 V HA 0.421 4.541 4.120 0.000 0.000 0.290 367 V C -0.226 175.845 176.094 -0.038 0.000 1.017 367 V CA -1.115 61.202 62.300 0.027 0.000 0.841 367 V CB 1.480 33.312 31.823 0.016 0.000 1.003 367 V HN 0.764 nan 8.190 nan 0.000 0.426 368 N N 2.370 121.017 118.700 -0.088 0.000 2.413 368 N HA 0.248 4.988 4.740 0.000 0.000 0.266 368 N C -0.012 175.451 175.510 -0.078 0.000 1.238 368 N CA -0.513 52.478 53.050 -0.098 0.000 0.972 368 N CB 0.735 39.133 38.487 -0.149 0.000 1.210 368 N HN 0.771 nan 8.380 nan 0.000 0.547 369 Q N 0.526 120.286 119.800 -0.067 0.000 2.364 369 Q HA 0.009 4.349 4.340 0.000 0.000 0.267 369 Q C -0.495 175.470 176.000 -0.058 0.000 0.999 369 Q CA 0.077 55.849 55.803 -0.051 0.000 0.886 369 Q CB 0.199 28.914 28.738 -0.039 0.000 1.243 369 Q HN 0.438 nan 8.270 nan 0.000 0.415 370 N N 0.222 118.896 118.700 -0.043 0.000 2.776 370 N HA -0.187 4.553 4.740 0.000 0.000 0.249 370 N C -1.236 174.243 175.510 -0.051 0.000 1.111 370 N CA 0.941 53.969 53.050 -0.037 0.000 0.711 370 N CB -1.671 36.796 38.487 -0.032 0.000 1.065 370 N HN 0.632 nan 8.380 nan 0.000 0.556 371 A N 0.805 123.592 122.820 -0.054 0.000 2.371 371 A HA 0.672 4.992 4.320 0.000 0.000 0.257 371 A C 0.879 178.453 177.584 -0.016 0.000 1.089 371 A CA 0.219 52.237 52.037 -0.032 0.000 0.794 371 A CB 0.628 19.646 19.000 0.030 0.000 1.029 371 A HN 0.472 nan 8.150 nan 0.000 0.488 372 R N 0.651 121.175 120.500 0.040 0.000 2.728 372 R HA 0.595 4.935 4.340 0.000 0.000 0.274 372 R C -2.136 174.221 176.300 0.095 0.000 1.032 372 R CA -0.934 55.173 56.100 0.012 0.000 0.866 372 R CB 0.812 31.140 30.300 0.047 0.000 1.263 372 R HN 0.452 nan 8.270 nan 0.000 0.475 373 L N 2.464 123.727 121.223 0.066 0.000 2.296 373 L HA 0.490 4.830 4.340 0.000 0.000 0.286 373 L C -0.691 176.275 176.870 0.160 0.000 1.023 373 L CA -1.054 53.860 54.840 0.123 0.000 0.812 373 L CB 1.677 43.807 42.059 0.118 0.000 1.223 373 L HN 0.442 nan 8.230 nan 0.000 0.421 374 L N 4.729 126.074 121.223 0.204 0.000 2.262 374 L HA 0.430 4.770 4.340 0.000 0.000 0.288 374 L C -0.125 176.845 176.870 0.166 0.000 1.035 374 L CA -0.284 54.709 54.840 0.256 0.000 0.820 374 L CB 1.151 43.483 42.059 0.454 0.000 1.204 374 L HN 0.484 nan 8.230 nan 0.000 0.424 375 M N 2.441 122.039 119.600 -0.004 0.000 2.367 375 M HA 0.545 5.025 4.480 0.000 0.000 0.339 375 M C 0.360 176.366 176.300 -0.490 0.000 1.177 375 M CA -0.386 54.731 55.300 -0.305 0.000 1.068 375 M CB 1.462 33.835 32.600 -0.378 0.000 1.602 375 M HN 0.568 nan 8.290 nan 0.000 0.457 376 G N 2.526 110.854 108.800 -0.785 0.000 2.643 376 G HA2 0.690 4.650 3.960 0.000 0.000 0.305 376 G HA3 0.690 4.650 3.960 0.000 0.000 0.305 376 G C -2.020 172.417 174.900 -0.771 0.000 1.387 376 G CA -0.257 44.163 45.100 -1.134 0.000 0.982 376 G HN 0.555 nan 8.290 nan 0.000 0.501 377 Y N 0.167 120.474 120.300 0.011 0.000 2.499 377 Y HA 0.580 5.130 4.550 0.000 0.000 0.347 377 Y C 0.277 176.419 175.900 0.404 0.000 0.987 377 Y CA -0.953 57.363 58.100 0.361 0.000 1.044 377 Y CB 2.709 41.506 38.460 0.561 0.000 1.245 377 Y HN 0.454 nan 8.280 nan 0.000 0.461 378 E N 2.446 122.970 120.200 0.539 0.000 2.176 378 E HA 0.436 4.786 4.350 0.000 0.000 0.267 378 E C -1.772 174.985 176.600 0.262 0.000 0.893 378 E CA -0.709 55.847 56.400 0.260 0.000 0.761 378 E CB 1.498 31.383 29.700 0.308 0.000 1.133 378 E HN 0.580 nan 8.360 nan 0.000 0.409 379 Y N 1.292 121.589 120.300 -0.005 0.000 2.670 379 Y HA 0.625 5.175 4.550 0.000 0.000 0.334 379 Y C -1.845 173.997 175.900 -0.097 0.000 1.185 379 Y CA -1.446 56.559 58.100 -0.157 0.000 1.053 379 Y CB 0.730 38.952 38.460 -0.397 0.000 1.298 379 Y HN 0.186 nan 8.280 nan 0.000 0.459 380 F N 0.636 120.688 119.950 0.171 0.000 2.522 380 F HA 0.811 5.338 4.527 0.000 0.000 0.324 380 F C 0.181 176.031 175.800 0.083 0.000 1.077 380 F CA -0.885 57.162 58.000 0.077 0.000 0.944 380 F CB 2.197 41.196 39.000 -0.003 0.000 1.175 380 F HN 0.760 nan 8.300 nan 0.000 0.468 381 T N 0.766 115.459 114.554 0.232 0.000 2.886 381 T HA 0.407 4.757 4.350 0.000 0.000 0.330 381 T C -1.070 173.670 174.700 0.067 0.000 1.488 381 T CA -0.529 61.651 62.100 0.133 0.000 1.054 381 T CB 1.007 69.903 68.868 0.046 0.000 1.348 381 T HN 0.487 nan 8.240 nan 0.000 0.489 382 S N 2.257 117.998 115.700 0.067 0.000 2.564 382 S HA 0.242 4.712 4.470 0.000 0.000 0.278 382 S C 1.481 176.099 174.600 0.030 0.000 1.333 382 S CA -0.571 57.648 58.200 0.031 0.000 1.048 382 S CB 0.933 64.155 63.200 0.037 0.000 0.900 382 S HN 0.660 nan 8.310 nan 0.000 0.505 383 R N 1.138 121.643 120.500 0.008 0.000 2.115 383 R HA -0.028 4.312 4.340 0.000 0.000 0.230 383 R C 1.302 177.616 176.300 0.023 0.000 1.111 383 R CA 1.455 57.558 56.100 0.005 0.000 0.976 383 R CB -0.454 29.849 30.300 0.006 0.000 0.870 383 R HN 0.833 nan 8.270 nan 0.000 0.445 384 T N 0.000 114.570 114.554 0.026 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.118 62.100 0.029 0.000 1.349 384 T CB 0.000 68.881 68.868 0.022 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658