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 1hb7_1_G 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 E 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 0.000 176.872 176.870 0.003 0.000 1.165 15 L CA 0.000 54.843 54.840 0.005 0.000 0.813 15 L CB 0.000 42.062 42.059 0.005 0.000 0.961 16 R N 0.144 120.646 120.500 0.003 0.000 2.366 16 R HA 0.246 4.586 4.340 0.000 0.000 0.201 16 R C 1.589 177.888 176.300 -0.001 0.000 1.057 16 R CA 2.223 58.324 56.100 0.001 0.000 1.086 16 R CB -1.965 28.336 30.300 0.003 0.000 0.914 16 R HN 1.969 nan 8.270 nan 0.000 0.476 17 N N -0.454 118.245 118.700 -0.002 0.000 2.135 17 N HA -0.173 4.567 4.740 0.000 0.000 0.186 17 N C 2.488 177.993 175.510 -0.009 0.000 1.027 17 N CA 1.919 54.965 53.050 -0.006 0.000 0.849 17 N CB -0.758 37.726 38.487 -0.005 0.000 1.002 17 N HN 0.745 nan 8.380 nan 0.000 0.425 18 Q N 0.240 120.036 119.800 -0.007 0.000 2.133 18 Q HA -0.327 4.013 4.340 0.000 0.000 0.208 18 Q C 2.140 178.135 176.000 -0.009 0.000 0.991 18 Q CA 2.251 58.048 55.803 -0.009 0.000 0.867 18 Q CB -1.080 27.655 28.738 -0.006 0.000 0.911 18 Q HN 0.954 nan 8.270 nan 0.000 0.417 19 Q N -0.545 119.251 119.800 -0.006 0.000 2.079 19 Q HA 0.060 4.400 4.340 0.000 0.000 0.200 19 Q C 2.568 178.564 176.000 -0.007 0.000 0.974 19 Q CA 1.203 57.004 55.803 -0.005 0.000 0.840 19 Q CB -0.241 28.496 28.738 -0.002 0.000 0.898 19 Q HN 0.724 nan 8.270 nan 0.000 0.430 20 A N 1.266 124.081 122.820 -0.008 0.000 1.877 20 A HA -0.173 4.147 4.320 0.000 0.000 0.216 20 A C 2.141 179.715 177.584 -0.018 0.000 1.186 20 A CA 1.469 53.500 52.037 -0.011 0.000 0.620 20 A CB -0.514 18.480 19.000 -0.011 0.000 0.822 20 A HN 0.269 nan 8.150 nan 0.000 0.443 21 M N -0.605 118.981 119.600 -0.022 0.000 2.132 21 M HA -0.108 4.372 4.480 0.000 0.000 0.263 21 M C 2.558 178.842 176.300 -0.026 0.000 1.065 21 M CA 1.344 56.625 55.300 -0.031 0.000 1.122 21 M CB -0.515 32.064 32.600 -0.034 0.000 1.365 21 M HN 0.479 nan 8.290 nan 0.000 0.411 22 A N 0.666 123.475 122.820 -0.018 0.000 1.902 22 A HA -0.065 4.255 4.320 0.000 0.000 0.217 22 A C 2.399 179.976 177.584 -0.012 0.000 1.181 22 A CA 2.040 54.068 52.037 -0.014 0.000 0.623 22 A CB -0.896 18.098 19.000 -0.010 0.000 0.818 22 A HN 0.491 nan 8.150 nan 0.000 0.443 23 A N 0.217 123.031 122.820 -0.010 0.000 1.873 23 A HA -0.195 4.125 4.320 0.000 0.000 0.215 23 A C 1.959 179.537 177.584 -0.009 0.000 1.186 23 A CA 2.049 54.082 52.037 -0.006 0.000 0.616 23 A CB -0.849 18.150 19.000 -0.003 0.000 0.823 23 A HN 0.656 nan 8.150 nan 0.000 0.442 24 N N -0.273 118.418 118.700 -0.016 0.000 2.036 24 N HA -0.199 4.541 4.740 0.000 0.000 0.195 24 N C 1.582 177.077 175.510 -0.025 0.000 1.037 24 N CA 1.898 54.935 53.050 -0.023 0.000 0.855 24 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 24 N HN 0.294 nan 8.380 nan 0.000 0.423 25 L N 1.089 122.295 121.223 -0.028 0.000 2.079 25 L HA -0.134 4.206 4.340 0.000 0.000 0.210 25 L C 2.338 179.197 176.870 -0.018 0.000 1.081 25 L CA 1.784 56.608 54.840 -0.027 0.000 0.752 25 L CB -1.154 40.889 42.059 -0.027 0.000 0.896 25 L HN 0.432 nan 8.230 nan 0.000 0.433 26 Q N -0.914 118.879 119.800 -0.013 0.000 2.079 26 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 26 Q C 2.118 178.115 176.000 -0.005 0.000 0.974 26 Q CA 1.712 57.510 55.803 -0.007 0.000 0.840 26 Q CB -0.179 28.557 28.738 -0.003 0.000 0.898 26 Q HN 0.624 nan 8.270 nan 0.000 0.430 27 A N 1.349 124.167 122.820 -0.004 0.000 1.933 27 A HA -0.209 4.111 4.320 0.000 0.000 0.218 27 A C 2.134 179.714 177.584 -0.006 0.000 1.175 27 A CA 1.462 53.499 52.037 0.000 0.000 0.628 27 A CB -0.680 18.322 19.000 0.004 0.000 0.814 27 A HN 0.436 nan 8.150 nan 0.000 0.444 28 R N -0.277 120.215 120.500 -0.013 0.000 2.083 28 R HA -0.187 4.153 4.340 0.000 0.000 0.237 28 R C 2.286 178.576 176.300 -0.016 0.000 1.137 28 R CA 1.881 57.971 56.100 -0.018 0.000 0.951 28 R CB -0.357 29.928 30.300 -0.024 0.000 0.851 28 R HN 0.695 nan 8.270 nan 0.000 0.434 29 Q N 0.101 119.892 119.800 -0.014 0.000 2.124 29 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 29 Q C 2.276 178.270 176.000 -0.010 0.000 0.977 29 Q CA 1.528 57.323 55.803 -0.013 0.000 0.850 29 Q CB -0.092 28.639 28.738 -0.011 0.000 0.901 29 Q HN 0.475 nan 8.270 nan 0.000 0.429 30 I N 0.171 120.738 120.570 -0.005 0.000 2.252 30 I HA -0.233 3.937 4.170 0.000 0.000 0.245 30 I C 2.309 178.424 176.117 -0.002 0.000 1.102 30 I CA 0.751 62.051 61.300 0.001 0.000 1.385 30 I CB -0.270 37.736 38.000 0.009 0.000 1.064 30 I HN 0.008 nan 8.210 nan 0.000 0.414 31 V N 1.202 121.110 119.914 -0.009 0.000 2.295 31 V HA -0.275 3.845 4.120 0.000 0.000 0.246 31 V C 2.406 178.487 176.094 -0.022 0.000 1.049 31 V CA 1.760 64.049 62.300 -0.018 0.000 1.024 31 V CB -0.437 31.370 31.823 -0.027 0.000 0.648 31 V HN 0.360 nan 8.190 nan 0.000 0.447 32 L N -0.370 120.838 121.223 -0.025 0.000 2.083 32 L HA -0.239 4.101 4.340 0.000 0.000 0.209 32 L C 2.623 179.472 176.870 -0.034 0.000 1.083 32 L CA 1.988 56.807 54.840 -0.036 0.000 0.752 32 L CB -0.563 41.474 42.059 -0.036 0.000 0.899 32 L HN 0.439 nan 8.230 nan 0.000 0.433 33 Q N -0.606 119.182 119.800 -0.019 0.000 2.083 33 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 33 Q C 2.165 178.169 176.000 0.006 0.000 0.969 33 Q CA 1.136 56.934 55.803 -0.009 0.000 0.838 33 Q CB 0.214 28.950 28.738 -0.003 0.000 0.900 33 Q HN 0.457 nan 8.270 nan 0.000 0.436 34 Q N 0.298 120.104 119.800 0.010 0.000 2.250 34 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 34 Q C 1.238 177.264 176.000 0.043 0.000 0.941 34 Q CA 0.748 56.568 55.803 0.028 0.000 0.872 34 Q CB 0.428 29.181 28.738 0.026 0.000 0.965 34 Q HN 0.346 nan 8.270 nan 0.000 0.480 35 S N -0.563 115.152 115.700 0.025 0.000 2.634 35 S HA 0.319 4.789 4.470 0.000 0.000 0.261 35 S C -0.579 174.066 174.600 0.075 0.000 1.271 35 S CA -0.631 57.594 58.200 0.042 0.000 0.985 35 S CB 0.780 63.982 63.200 0.004 0.000 0.968 35 S HN 0.205 nan 8.310 nan 0.000 0.568 36 Y N 0.840 121.120 120.300 -0.034 0.000 2.391 36 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 36 Y C -2.829 173.015 175.900 -0.093 0.000 0.965 36 Y CA -2.284 55.785 58.100 -0.051 0.000 1.067 36 Y CB 1.909 40.344 38.460 -0.041 0.000 1.199 36 Y HN 0.517 nan 8.280 nan 0.000 0.450 37 P HA 0.234 nan 4.420 nan 0.000 0.276 37 P C -1.401 175.743 177.300 -0.261 0.000 1.230 37 P CA 0.030 62.913 63.100 -0.362 0.000 0.776 37 P CB 1.059 32.519 31.700 -0.400 0.000 0.888 38 V N 4.742 124.442 119.914 -0.357 0.000 2.760 38 V HA 0.466 4.586 4.120 0.000 0.000 0.309 38 V C -0.273 175.630 176.094 -0.317 0.000 1.077 38 V CA -0.634 61.448 62.300 -0.364 0.000 0.910 38 V CB 2.344 33.753 31.823 -0.690 0.000 1.008 38 V HN 0.472 nan 8.190 nan 0.000 0.424 39 I N 3.703 124.225 120.570 -0.080 0.000 2.418 39 I HA 0.627 4.797 4.170 0.000 0.000 0.287 39 I C -0.745 175.489 176.117 0.195 0.000 1.008 39 I CA -0.094 61.250 61.300 0.074 0.000 1.104 39 I CB 1.520 39.556 38.000 0.060 0.000 1.264 39 I HN 0.843 nan 8.210 nan 0.000 0.438 40 Q N 6.678 126.682 119.800 0.340 0.000 2.331 40 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 40 Q C -1.445 174.780 176.000 0.376 0.000 1.062 40 Q CA -0.755 55.269 55.803 0.368 0.000 0.806 40 Q CB 2.244 31.198 28.738 0.360 0.000 1.312 40 Q HN 0.728 nan 8.270 nan 0.000 0.431 41 Q N 2.048 122.002 119.800 0.257 0.000 2.311 41 Q HA 0.166 4.506 4.340 0.000 0.000 0.272 41 Q C 0.203 176.214 176.000 0.019 0.000 1.012 41 Q CA 0.177 55.925 55.803 -0.092 0.000 0.891 41 Q CB 0.979 29.586 28.738 -0.217 0.000 1.201 41 Q HN 0.644 nan 8.270 nan 0.000 0.391 42 V N 0.089 120.010 119.914 0.011 0.000 3.572 42 V HA 0.430 4.550 4.120 0.000 0.000 0.260 42 V C 0.075 176.182 176.094 0.023 0.000 1.324 42 V CA 0.425 62.761 62.300 0.060 0.000 1.068 42 V CB 0.401 32.301 31.823 0.128 0.000 0.837 42 V HN 0.834 nan 8.190 nan 0.000 0.450 43 E N -0.620 119.572 120.200 -0.014 0.000 2.400 43 E HA 0.520 4.870 4.350 0.000 0.000 0.285 43 E C -1.582 174.962 176.600 -0.095 0.000 1.005 43 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 43 E CB 2.195 31.937 29.700 0.071 0.000 1.220 43 E HN 0.270 nan 8.360 nan 0.000 0.426 44 T N 2.557 116.992 114.554 -0.198 0.000 2.909 44 T HA 0.559 4.909 4.350 0.000 0.000 0.299 44 T C -1.391 173.006 174.700 -0.504 0.000 1.073 44 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 44 T CB 1.779 70.513 68.868 -0.223 0.000 1.098 44 T HN 0.475 nan 8.240 nan 0.000 0.477 45 Q N 0.792 120.109 119.800 -0.805 0.000 2.438 45 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 45 Q C -1.824 173.880 176.000 -0.493 0.000 0.994 45 Q CA -0.583 54.825 55.803 -0.659 0.000 0.887 45 Q CB 1.928 30.168 28.738 -0.831 0.000 1.432 45 Q HN 0.657 nan 8.270 nan 0.000 0.392 46 T N 3.627 118.051 114.554 -0.217 0.000 2.841 46 T HA 0.815 5.165 4.350 0.000 0.000 0.283 46 T C -1.157 173.562 174.700 0.031 0.000 1.000 46 T CA -0.400 61.612 62.100 -0.147 0.000 0.977 46 T CB 0.469 69.254 68.868 -0.138 0.000 0.979 46 T HN 0.475 nan 8.240 nan 0.000 0.446 47 F N -0.496 119.358 119.950 -0.158 0.000 2.745 47 F HA 0.740 5.267 4.527 0.000 0.000 0.316 47 F C -1.729 174.054 175.800 -0.028 0.000 1.155 47 F CA -1.262 56.710 58.000 -0.046 0.000 0.937 47 F CB 1.243 40.282 39.000 0.065 0.000 1.361 47 F HN 0.330 nan 8.300 nan 0.000 0.472 48 D N 1.381 121.862 120.400 0.136 0.000 2.381 48 D HA 0.426 5.066 4.640 0.000 0.000 0.235 48 D C -2.168 174.269 176.300 0.228 0.000 1.068 48 D CA -2.406 51.625 54.000 0.053 0.000 0.832 48 D CB 2.288 43.141 40.800 0.087 0.000 1.101 48 D HN 0.205 nan 8.370 nan 0.000 0.515 49 P HA -0.118 nan 4.420 nan 0.000 0.220 49 P C 0.906 178.332 177.300 0.210 0.000 1.144 49 P CA 1.006 64.243 63.100 0.230 0.000 0.800 49 P CB 0.312 32.020 31.700 0.014 0.000 0.772 50 A N -0.734 122.196 122.820 0.183 0.000 2.015 50 A HA -0.174 4.146 4.320 0.000 0.000 0.219 50 A C 2.057 179.714 177.584 0.122 0.000 1.163 50 A CA 1.586 53.712 52.037 0.149 0.000 0.646 50 A CB -0.827 18.250 19.000 0.129 0.000 0.806 50 A HN 0.163 nan 8.150 nan 0.000 0.448 51 N N -1.418 117.364 118.700 0.137 0.000 2.387 51 N HA 0.102 4.842 4.740 0.000 0.000 0.176 51 N C 0.750 176.300 175.510 0.067 0.000 1.022 51 N CA 0.577 53.687 53.050 0.100 0.000 0.883 51 N CB 0.204 38.757 38.487 0.110 0.000 1.019 51 N HN 0.559 nan 8.380 nan 0.000 0.435 52 R N -0.741 119.823 120.500 0.107 0.000 2.664 52 R HA 0.263 4.603 4.340 0.000 0.000 0.266 52 R C -0.927 175.372 176.300 -0.001 0.000 1.046 52 R CA -0.071 56.000 56.100 -0.049 0.000 0.885 52 R CB 0.731 30.890 30.300 -0.234 0.000 1.254 52 R HN 0.059 nan 8.270 nan 0.000 0.465 53 S N 0.100 115.720 115.700 -0.133 0.000 2.800 53 S HA 0.214 4.684 4.470 0.000 0.000 0.266 53 S C -0.679 173.935 174.600 0.024 0.000 1.029 53 S CA -0.319 57.932 58.200 0.086 0.000 1.302 53 S CB 0.857 64.183 63.200 0.210 0.000 1.212 53 S HN 0.146 nan 8.310 nan 0.000 0.683 54 V N 2.882 122.578 119.914 -0.362 0.000 2.448 54 V HA 0.677 4.797 4.120 0.000 0.000 0.295 54 V C -1.343 174.365 176.094 -0.644 0.000 1.025 54 V CA -0.422 61.700 62.300 -0.298 0.000 0.859 54 V CB 0.997 32.686 31.823 -0.223 0.000 0.988 54 V HN 0.426 nan 8.190 nan 0.000 0.431 55 F N 2.147 122.025 119.950 -0.121 0.000 2.576 55 F HA 0.509 5.036 4.527 0.000 0.000 0.313 55 F C -0.072 175.647 175.800 -0.135 0.000 1.078 55 F CA -0.844 57.086 58.000 -0.117 0.000 0.921 55 F CB 1.966 40.912 39.000 -0.091 0.000 1.232 55 F HN 0.382 nan 8.300 nan 0.000 0.459 56 D N 2.597 123.033 120.400 0.059 0.000 2.453 56 D HA 0.361 5.001 4.640 0.000 0.000 0.238 56 D C -1.177 175.129 176.300 0.010 0.000 1.088 56 D CA -0.086 53.905 54.000 -0.016 0.000 0.854 56 D CB 1.650 42.416 40.800 -0.056 0.000 1.076 56 D HN 0.219 nan 8.370 nan 0.000 0.533 57 V N 3.361 123.254 119.914 -0.035 0.000 2.546 57 V HA 0.277 4.397 4.120 0.000 0.000 0.284 57 V C 0.687 176.742 176.094 -0.064 0.000 1.050 57 V CA -0.227 62.057 62.300 -0.027 0.000 0.981 57 V CB 1.684 33.461 31.823 -0.077 0.000 0.990 57 V HN 0.531 nan 8.190 nan 0.000 0.474 58 T N 7.260 121.801 114.554 -0.023 0.000 2.801 58 T HA 0.385 4.735 4.350 0.000 0.000 0.306 58 T C -2.333 172.372 174.700 0.009 0.000 1.020 58 T CA -0.868 61.219 62.100 -0.022 0.000 0.948 58 T CB 1.201 70.064 68.868 -0.010 0.000 0.962 58 T HN 0.474 nan 8.240 nan 0.000 0.465 59 P HA 0.387 nan 4.420 nan 0.000 0.273 59 P C -0.712 176.646 177.300 0.098 0.000 1.250 59 P CA -0.563 62.622 63.100 0.142 0.000 0.793 59 P CB 0.473 32.360 31.700 0.311 0.000 1.011 60 A N 1.167 124.038 122.820 0.084 0.000 2.327 60 A HA 0.229 4.549 4.320 0.000 0.000 0.283 60 A C 0.012 177.572 177.584 -0.040 0.000 1.127 60 A CA -0.475 51.560 52.037 -0.004 0.000 0.810 60 A CB -0.379 18.585 19.000 -0.059 0.000 1.066 60 A HN 0.572 nan 8.150 nan 0.000 0.492 61 N N 0.918 119.596 118.700 -0.037 0.000 2.868 61 N HA 0.362 5.102 4.740 0.000 0.000 0.252 61 N C -1.164 174.299 175.510 -0.080 0.000 1.130 61 N CA -0.029 53.002 53.050 -0.033 0.000 1.026 61 N CB 0.933 39.420 38.487 0.000 0.000 1.335 61 N HN 0.390 nan 8.380 nan 0.000 0.516 62 V N 1.561 121.369 119.914 -0.176 0.000 2.733 62 V HA 0.675 4.795 4.120 0.000 0.000 0.306 62 V C 0.636 176.625 176.094 -0.176 0.000 1.084 62 V CA 0.174 62.347 62.300 -0.211 0.000 0.905 62 V CB 0.943 32.539 31.823 -0.379 0.000 1.010 62 V HN 0.759 nan 8.190 nan 0.000 0.424 63 G N 6.258 115.039 108.800 -0.032 0.000 2.594 63 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 63 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 63 G C -0.096 174.811 174.900 0.012 0.000 1.273 63 G CA 0.542 45.653 45.100 0.017 0.000 0.974 63 G HN 1.247 nan 8.290 nan 0.000 0.552 64 I N 0.765 121.363 120.570 0.047 0.000 2.312 64 I HA 0.373 4.543 4.170 0.000 0.000 0.290 64 I C 0.393 176.550 176.117 0.067 0.000 1.008 64 I CA -0.721 60.598 61.300 0.032 0.000 1.226 64 I CB 1.566 39.571 38.000 0.008 0.000 1.371 64 I HN 0.320 nan 8.210 nan 0.000 0.468 65 V N 7.705 127.630 119.914 0.017 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.924 176.957 176.094 -0.101 0.000 1.047 65 V CA -0.282 61.992 62.300 -0.044 0.000 0.955 65 V CB 1.117 32.868 31.823 -0.121 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.926 123.267 120.400 -0.097 0.000 2.276 66 K HA 0.458 4.778 4.320 0.000 0.000 0.198 66 K C 0.808 177.316 176.600 -0.152 0.000 1.052 66 K CA 0.723 56.992 56.287 -0.030 0.000 0.984 66 K CB 0.763 33.331 32.500 0.112 0.000 0.836 66 K HN 0.899 nan 8.250 nan 0.000 0.490 67 G N 0.220 108.713 108.800 -0.513 0.000 2.320 67 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 67 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 67 G C -1.975 172.059 174.900 -1.444 0.000 1.306 67 G CA -0.995 43.439 45.100 -1.110 0.000 0.836 67 G HN -0.002 nan 8.290 nan 0.000 0.517 68 F N -0.453 118.894 119.950 -1.004 0.000 2.547 68 F HA 0.642 5.169 4.527 0.000 0.000 0.316 68 F C -0.225 175.437 175.800 -0.229 0.000 1.121 68 F CA -0.806 56.951 58.000 -0.405 0.000 0.911 68 F CB 2.396 41.259 39.000 -0.228 0.000 1.179 68 F HN 0.413 nan 8.300 nan 0.000 0.443 69 L N 4.622 126.100 121.223 0.425 0.000 2.265 69 L HA 0.698 5.038 4.340 0.000 0.000 0.289 69 L C -1.033 176.175 176.870 0.563 0.000 1.033 69 L CA -0.479 54.749 54.840 0.647 0.000 0.814 69 L CB 1.075 43.566 42.059 0.720 0.000 1.203 69 L HN 0.400 nan 8.230 nan 0.000 0.423 70 V N 5.645 125.855 119.914 0.493 0.000 2.347 70 V HA 0.400 4.520 4.120 0.000 0.000 0.280 70 V C 0.041 176.330 176.094 0.325 0.000 1.021 70 V CA -0.789 61.741 62.300 0.383 0.000 0.847 70 V CB 1.182 33.163 31.823 0.263 0.000 0.990 70 V HN 0.714 nan 8.190 nan 0.000 0.444 71 K N 4.280 124.787 120.400 0.179 0.000 2.211 71 K HA 0.703 5.023 4.320 0.000 0.000 0.275 71 K C -1.389 175.209 176.600 -0.003 0.000 1.024 71 K CA -0.388 55.749 56.287 -0.251 0.000 0.887 71 K CB 1.595 33.956 32.500 -0.230 0.000 1.084 71 K HN 0.504 nan 8.250 nan 0.000 0.463 72 V N 3.531 123.428 119.914 -0.028 0.000 2.531 72 V HA 0.359 4.479 4.120 0.000 0.000 0.301 72 V C -0.380 175.745 176.094 0.052 0.000 1.034 72 V CA -0.833 61.551 62.300 0.141 0.000 0.865 72 V CB 1.671 33.704 31.823 0.350 0.000 0.995 72 V HN 1.000 nan 8.190 nan 0.000 0.424 73 T N 1.326 115.900 114.554 0.033 0.000 2.908 73 T HA 0.957 5.307 4.350 0.000 0.000 0.290 73 T C -0.489 174.228 174.700 0.028 0.000 1.034 73 T CA -0.541 61.578 62.100 0.030 0.000 1.010 73 T CB 2.272 71.144 68.868 0.008 0.000 1.068 73 T HN 1.352 nan 8.240 nan 0.000 0.481 74 A N 0.835 123.706 122.820 0.086 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.953 176.723 177.584 0.152 0.000 1.071 74 A CA -0.808 51.310 52.037 0.135 0.000 0.685 74 A CB 1.272 20.457 19.000 0.308 0.000 1.285 74 A HN 1.657 nan 8.150 nan 0.000 0.405 75 A N 1.366 124.278 122.820 0.154 0.000 2.318 75 A HA 0.765 5.085 4.320 0.000 0.000 0.317 75 A C -0.832 176.818 177.584 0.110 0.000 1.159 75 A CA -0.287 51.809 52.037 0.099 0.000 0.799 75 A CB 0.365 19.394 19.000 0.047 0.000 1.194 75 A HN 0.746 nan 8.150 nan 0.000 0.479 76 I N 2.100 122.681 120.570 0.017 0.000 2.406 76 I HA 0.340 4.510 4.170 0.000 0.000 0.290 76 I C -0.259 175.761 176.117 -0.161 0.000 0.999 76 I CA -0.227 61.009 61.300 -0.107 0.000 1.124 76 I CB 2.408 40.322 38.000 -0.143 0.000 1.289 76 I HN 0.559 nan 8.210 nan 0.000 0.441 77 T N 4.462 118.904 114.554 -0.186 0.000 2.771 77 T HA 0.214 4.564 4.350 0.000 0.000 0.281 77 T C -0.054 174.491 174.700 -0.260 0.000 0.982 77 T CA -0.536 61.457 62.100 -0.179 0.000 0.978 77 T CB 0.799 69.601 68.868 -0.110 0.000 0.930 77 T HN 0.384 nan 8.240 nan 0.000 0.447 78 N N 2.957 121.517 118.700 -0.233 0.000 2.521 78 N HA 0.073 4.813 4.740 0.000 0.000 0.236 78 N C 0.651 176.082 175.510 -0.132 0.000 1.067 78 N CA -0.246 52.667 53.050 -0.228 0.000 0.939 78 N CB 0.190 38.554 38.487 -0.205 0.000 1.201 78 N HN 0.665 nan 8.380 nan 0.000 0.511 79 N N 2.275 120.900 118.700 -0.125 0.000 2.383 79 N HA -0.109 4.631 4.740 0.000 0.000 0.192 79 N C -0.195 175.283 175.510 -0.054 0.000 1.141 79 N CA -0.205 52.796 53.050 -0.083 0.000 0.851 79 N CB 0.104 38.538 38.487 -0.088 0.000 0.976 79 N HN 0.566 nan 8.380 nan 0.000 0.465 80 H N -0.309 118.694 119.070 -0.112 0.000 2.852 80 H HA 0.169 4.725 4.556 0.000 0.000 0.362 80 H C 1.240 176.530 175.328 -0.065 0.000 1.122 80 H CA 0.739 56.736 56.048 -0.084 0.000 1.419 80 H CB 1.347 31.058 29.762 -0.085 0.000 1.401 80 H HN 0.177 nan 8.280 nan 0.000 0.609 81 A N 2.404 125.018 122.820 -0.344 0.000 1.898 81 A HA -0.112 4.208 4.320 0.000 0.000 0.216 81 A C 1.880 179.492 177.584 0.047 0.000 1.181 81 A CA 2.079 54.035 52.037 -0.135 0.000 0.620 81 A CB -0.465 18.413 19.000 -0.204 0.000 0.819 81 A HN 0.870 nan 8.150 nan 0.000 0.442 82 T N -4.824 109.893 114.554 0.273 0.000 3.046 82 T HA 0.205 4.555 4.350 0.000 0.000 0.270 82 T C -0.075 174.702 174.700 0.129 0.000 0.920 82 T CA -0.296 61.911 62.100 0.178 0.000 0.874 82 T CB 0.203 69.138 68.868 0.111 0.000 1.214 82 T HN 0.177 nan 8.240 nan 0.000 0.536 83 E N 1.607 121.870 120.200 0.106 0.000 2.204 83 E HA 0.754 5.104 4.350 0.000 0.000 0.276 83 E C -0.249 176.239 176.600 -0.186 0.000 0.974 83 E CA -0.447 55.822 56.400 -0.218 0.000 0.815 83 E CB 2.013 31.361 29.700 -0.586 0.000 1.119 83 E HN 0.517 nan 8.360 nan 0.000 0.393 84 A N 1.919 124.665 122.820 -0.123 0.000 2.247 84 A HA 0.728 5.048 4.320 0.000 0.000 0.313 84 A C -0.114 177.416 177.584 -0.091 0.000 1.109 84 A CA -0.543 51.437 52.037 -0.095 0.000 0.890 84 A CB 0.786 19.755 19.000 -0.052 0.000 1.239 84 A HN 0.400 nan 8.150 nan 0.000 0.506 85 V N -4.078 115.801 119.914 -0.059 0.000 3.078 85 V HA 0.950 5.070 4.120 0.000 0.000 0.311 85 V C -0.244 175.933 176.094 0.139 0.000 1.138 85 V CA -0.330 61.985 62.300 0.025 0.000 1.007 85 V CB 1.125 32.965 31.823 0.027 0.000 1.045 85 V HN 1.912 nan 8.190 nan 0.000 0.432 86 A N 2.448 125.406 122.820 0.231 0.000 2.454 86 A HA 0.852 5.172 4.320 0.000 0.000 0.302 86 A C -0.560 177.155 177.584 0.218 0.000 1.079 86 A CA -0.995 51.197 52.037 0.257 0.000 0.731 86 A CB 1.465 20.529 19.000 0.107 0.000 1.299 86 A HN 1.106 nan 8.150 nan 0.000 0.413 87 L N 1.881 123.122 121.223 0.029 0.000 2.543 87 L HA 0.123 4.463 4.340 0.000 0.000 0.285 87 L C 1.490 178.260 176.870 -0.167 0.000 1.236 87 L CA 0.164 54.813 54.840 -0.318 0.000 0.871 87 L CB 0.369 42.275 42.059 -0.255 0.000 1.121 87 L HN 0.996 nan 8.230 nan 0.000 0.501 88 T N -1.881 112.545 114.554 -0.213 0.000 2.770 88 T HA 0.084 4.434 4.350 0.000 0.000 0.281 88 T C 0.757 175.369 174.700 -0.147 0.000 0.981 88 T CA -0.787 61.206 62.100 -0.180 0.000 0.955 88 T CB 0.786 69.512 68.868 -0.236 0.000 1.060 88 T HN 0.504 nan 8.240 nan 0.000 0.531 89 D N -0.225 120.061 120.400 -0.190 0.000 2.178 89 D HA -0.016 4.624 4.640 0.000 0.000 0.201 89 D C 1.524 177.966 176.300 0.237 0.000 0.980 89 D CA 1.062 55.042 54.000 -0.033 0.000 0.842 89 D CB -0.227 40.506 40.800 -0.112 0.000 0.948 89 D HN 0.472 nan 8.370 nan 0.000 0.472 90 F N 0.186 120.062 119.950 -0.124 0.000 2.473 90 F HA 0.245 4.772 4.527 0.000 0.000 0.294 90 F C 2.185 177.931 175.800 -0.090 0.000 1.103 90 F CA 0.409 58.373 58.000 -0.061 0.000 1.442 90 F CB -0.946 37.986 39.000 -0.113 0.000 1.097 90 F HN -0.028 nan 8.300 nan 0.000 0.547 91 G N 2.684 111.501 108.800 0.028 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 -1.116 173.756 174.900 -0.047 0.000 1.286 91 G CA 0.559 45.596 45.100 -0.106 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.037 nan 4.420 nan 0.000 0.228 92 P C 1.604 178.916 177.300 0.019 0.000 1.151 92 P CA 2.279 65.388 63.100 0.015 0.000 0.770 92 P CB -0.380 31.322 31.700 0.004 0.000 0.786 93 A N 0.056 122.848 122.820 -0.046 0.000 2.172 93 A HA -0.095 4.225 4.320 0.000 0.000 0.216 93 A C 1.841 179.559 177.584 0.224 0.000 1.154 93 A CA 0.999 53.003 52.037 -0.054 0.000 0.701 93 A CB -0.973 17.886 19.000 -0.235 0.000 0.789 93 A HN 0.126 nan 8.150 nan 0.000 0.465 94 N N -0.384 118.447 118.700 0.217 0.000 2.268 94 N HA 0.183 4.923 4.740 0.000 0.000 0.204 94 N C 1.055 176.708 175.510 0.238 0.000 1.124 94 N CA 0.078 53.278 53.050 0.251 0.000 0.838 94 N CB 0.104 38.719 38.487 0.213 0.000 0.994 94 N HN 0.468 nan 8.380 nan 0.000 0.489 95 L N -0.249 121.149 121.223 0.291 0.000 2.201 95 L HA -0.004 4.336 4.340 0.000 0.000 0.212 95 L C 0.300 177.348 176.870 0.297 0.000 1.105 95 L CA 0.783 55.823 54.840 0.333 0.000 0.775 95 L CB 0.227 42.505 42.059 0.365 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.104 119.909 119.914 0.164 0.000 2.384 96 V HA 0.131 4.251 4.120 0.000 0.000 0.287 96 V C 0.531 176.531 176.094 -0.157 0.000 1.020 96 V CA -0.551 61.614 62.300 -0.226 0.000 0.850 96 V CB 1.711 33.084 31.823 -0.750 0.000 0.987 96 V HN 0.161 nan 8.190 nan 0.000 0.436 97 Q N 3.502 123.221 119.800 -0.136 0.000 2.123 97 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 97 Q C 0.468 176.375 176.000 -0.155 0.000 0.958 97 Q CA 1.017 56.783 55.803 -0.062 0.000 0.841 97 Q CB 0.465 29.200 28.738 -0.005 0.000 0.915 97 Q HN 0.627 nan 8.270 nan 0.000 0.455 98 R N -1.056 119.302 120.500 -0.237 0.000 2.710 98 R HA 0.632 4.972 4.340 0.000 0.000 0.270 98 R C -1.379 174.733 176.300 -0.313 0.000 1.021 98 R CA -0.519 55.432 56.100 -0.249 0.000 0.889 98 R CB 2.249 32.450 30.300 -0.165 0.000 1.243 98 R HN -0.187 nan 8.270 nan 0.000 0.464 99 V N 2.563 122.309 119.914 -0.280 0.000 2.841 99 V HA 0.621 4.741 4.120 0.000 0.000 0.310 99 V C -0.770 175.211 176.094 -0.189 0.000 1.090 99 V CA -0.679 61.457 62.300 -0.273 0.000 0.930 99 V CB 2.331 33.968 31.823 -0.310 0.000 1.014 99 V HN 0.566 nan 8.190 nan 0.000 0.425 100 I N 3.679 124.157 120.570 -0.152 0.000 2.607 100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 100 I C -1.741 174.325 176.117 -0.085 0.000 1.129 100 I CA -0.703 60.518 61.300 -0.132 0.000 1.042 100 I CB 2.373 40.306 38.000 -0.113 0.000 1.242 100 I HN 0.688 nan 8.210 nan 0.000 0.421 101 Y N 6.253 126.409 120.300 -0.241 0.000 2.376 101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 101 Y C -1.709 174.066 175.900 -0.208 0.000 0.965 101 Y CA -0.697 57.297 58.100 -0.178 0.000 1.078 101 Y CB 1.285 39.648 38.460 -0.162 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.655 124.447 120.300 -0.848 0.000 2.364 102 Y HA 0.293 4.843 4.550 0.000 0.000 0.340 102 Y C -0.105 175.257 175.900 -0.897 0.000 0.975 102 Y CA -1.032 56.727 58.100 -0.567 0.000 1.089 102 Y CB 1.165 39.439 38.460 -0.311 0.000 1.192 102 Y HN 0.715 nan 8.280 nan 0.000 0.454 103 D N 2.696 122.948 120.400 -0.247 0.000 2.451 103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 103 D C -2.206 174.095 176.300 0.001 0.000 1.201 103 D CA -2.286 51.667 54.000 -0.078 0.000 1.028 103 D CB 0.384 41.325 40.800 0.236 0.000 1.095 103 D HN 0.169 nan 8.370 nan 0.000 0.539 104 P HA -0.063 nan 4.420 nan 0.000 0.221 104 P C -0.039 177.287 177.300 0.043 0.000 1.145 104 P CA 1.018 64.140 63.100 0.037 0.000 0.795 104 P CB 0.103 31.835 31.700 0.054 0.000 0.775 105 D N -1.680 118.764 120.400 0.073 0.000 2.358 105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 105 D C 0.464 176.809 176.300 0.075 0.000 1.123 105 D CA 0.051 54.093 54.000 0.070 0.000 0.833 105 D CB -1.065 39.786 40.800 0.085 0.000 0.946 105 D HN 0.208 nan 8.370 nan 0.000 0.505 106 N N 0.636 119.382 118.700 0.076 0.000 2.800 106 N HA -0.261 4.479 4.740 0.000 0.000 0.250 106 N C -0.163 175.461 175.510 0.191 0.000 1.078 106 N CA 0.189 53.302 53.050 0.106 0.000 0.804 106 N CB -0.424 38.092 38.487 0.049 0.000 1.135 106 N HN 0.158 nan 8.380 nan 0.000 0.565 107 Q N 1.614 121.517 119.800 0.173 0.000 2.256 107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 107 Q C -0.519 175.573 176.000 0.153 0.000 0.916 107 Q CA -0.246 55.644 55.803 0.144 0.000 0.932 107 Q CB 0.879 29.679 28.738 0.104 0.000 1.207 107 Q HN 0.182 nan 8.270 nan 0.000 0.426 108 R N 2.949 123.451 120.500 0.003 0.000 2.441 108 R HA 0.284 4.624 4.340 0.000 0.000 0.284 108 R C 0.260 176.568 176.300 0.013 0.000 1.070 108 R CA -0.144 55.859 56.100 -0.162 0.000 1.047 108 R CB 0.690 30.776 30.300 -0.355 0.000 1.016 108 R HN 0.821 nan 8.270 nan 0.000 0.477 109 H N 0.201 119.234 119.070 -0.062 0.000 5.067 109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 109 H C 0.077 175.325 175.328 -0.133 0.000 1.355 109 H CA -0.365 55.662 56.048 -0.036 0.000 0.741 109 H CB 0.276 30.086 29.762 0.081 0.000 1.615 109 H HN 0.380 nan 8.280 nan 0.000 0.266 110 T N 1.531 116.090 114.554 0.008 0.000 2.916 110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 110 T C 0.111 174.746 174.700 -0.108 0.000 1.025 110 T CA 0.464 62.490 62.100 -0.123 0.000 1.142 110 T CB 0.319 69.077 68.868 -0.184 0.000 0.947 110 T HN 0.394 nan 8.240 nan 0.000 0.544 111 E N 2.204 122.344 120.200 -0.100 0.000 2.642 111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 111 E C -0.777 175.780 176.600 -0.071 0.000 1.039 111 E CA -0.474 55.869 56.400 -0.096 0.000 0.777 111 E CB 0.910 30.562 29.700 -0.079 0.000 1.473 111 E HN 0.589 nan 8.360 nan 0.000 0.388 112 T N 0.977 115.462 114.554 -0.114 0.000 2.671 112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 112 T C -0.912 173.654 174.700 -0.223 0.000 1.238 112 T CA -0.194 61.834 62.100 -0.121 0.000 1.020 112 T CB 1.049 69.915 68.868 -0.003 0.000 1.503 112 T HN 0.419 nan 8.240 nan 0.000 0.497 113 S N -0.048 115.447 115.700 -0.342 0.000 2.617 113 S HA 0.490 4.960 4.470 0.000 0.000 0.269 113 S C 1.619 175.955 174.600 -0.440 0.000 1.292 113 S CA 0.053 57.975 58.200 -0.463 0.000 1.010 113 S CB 0.862 63.546 63.200 -0.860 0.000 0.944 113 S HN 1.071 nan 8.310 nan 0.000 0.536 114 G N 1.075 109.675 108.800 -0.333 0.000 2.418 114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 114 G C 1.321 176.210 174.900 -0.018 0.000 1.158 114 G CA 0.751 45.706 45.100 -0.241 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.191 121.449 121.300 -0.071 0.000 2.388 115 W HA -0.021 4.639 4.660 0.000 0.000 0.294 115 W C 1.783 177.991 176.519 -0.519 0.000 1.212 115 W CA 0.834 57.950 57.345 -0.381 0.000 1.271 115 W CB -1.032 28.168 29.460 -0.435 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.266 119.974 119.070 -0.603 0.000 2.357 116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 116 H C 2.351 177.573 175.328 -0.176 0.000 1.082 116 H CA 1.788 57.614 56.048 -0.370 0.000 1.342 116 H CB -0.124 29.255 29.762 -0.640 0.000 1.389 116 H HN 0.118 nan 8.280 nan 0.000 0.511 117 L N 1.058 122.059 121.223 -0.370 0.000 2.042 117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 117 L C 2.588 179.360 176.870 -0.163 0.000 1.076 117 L CA 2.453 57.111 54.840 -0.304 0.000 0.749 117 L CB -1.109 40.840 42.059 -0.183 0.000 0.893 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 H N -1.038 117.958 119.070 -0.125 0.000 2.353 118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 118 H C 1.929 177.238 175.328 -0.033 0.000 1.090 118 H CA 2.229 58.198 56.048 -0.131 0.000 1.327 118 H CB -0.586 29.070 29.762 -0.177 0.000 1.383 118 H HN 0.473 nan 8.280 nan 0.000 0.508 119 F N -0.733 119.102 119.950 -0.192 0.000 2.216 119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 119 F C 2.538 178.272 175.800 -0.109 0.000 1.085 119 F CA 0.559 58.497 58.000 -0.102 0.000 1.326 119 F CB -0.055 38.932 39.000 -0.023 0.000 1.027 119 F HN 0.087 nan 8.300 nan 0.000 0.497 120 V N 0.254 120.154 119.914 -0.023 0.000 2.427 120 V HA -0.286 3.834 4.120 0.000 0.000 0.248 120 V C 1.667 177.701 176.094 -0.100 0.000 1.051 120 V CA 1.953 64.222 62.300 -0.051 0.000 1.048 120 V CB -0.772 30.950 31.823 -0.169 0.000 0.666 120 V HN 0.377 nan 8.190 nan 0.000 0.456 121 N N -0.301 118.252 118.700 -0.245 0.000 2.104 121 N HA -0.191 4.549 4.740 0.000 0.000 0.190 121 N C 1.836 177.211 175.510 -0.225 0.000 1.024 121 N CA 1.830 54.615 53.050 -0.442 0.000 0.853 121 N CB -0.200 37.625 38.487 -1.103 0.000 1.008 121 N HN 0.418 nan 8.380 nan 0.000 0.424 122 T N 0.574 115.027 114.554 -0.170 0.000 2.708 122 T HA -0.091 4.259 4.350 0.000 0.000 0.266 122 T C 2.057 176.717 174.700 -0.066 0.000 1.037 122 T CA 1.193 63.262 62.100 -0.052 0.000 1.146 122 T CB -0.334 68.476 68.868 -0.096 0.000 0.865 122 T HN 0.332 nan 8.240 nan 0.000 0.435 123 A N 1.895 124.684 122.820 -0.052 0.000 1.908 123 A HA -0.153 4.167 4.320 0.000 0.000 0.218 123 A C 2.278 179.846 177.584 -0.027 0.000 1.181 123 A CA 1.394 53.363 52.037 -0.113 0.000 0.627 123 A CB -0.332 18.562 19.000 -0.177 0.000 0.818 123 A HN 0.290 nan 8.150 nan 0.000 0.445 124 K N -0.628 119.763 120.400 -0.015 0.000 2.155 124 K HA -0.139 4.181 4.320 0.000 0.000 0.203 124 K C 2.147 178.726 176.600 -0.035 0.000 1.052 124 K CA 1.447 57.716 56.287 -0.031 0.000 0.948 124 K CB -0.239 32.216 32.500 -0.075 0.000 0.728 124 K HN 0.766 nan 8.250 nan 0.000 0.448 125 Q N -0.064 119.733 119.800 -0.005 0.000 2.187 125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 125 Q C 0.651 176.634 176.000 -0.028 0.000 0.957 125 Q CA 1.312 57.118 55.803 0.005 0.000 0.857 125 Q CB 0.240 29.032 28.738 0.090 0.000 0.929 125 Q HN 0.442 nan 8.270 nan 0.000 0.453 126 G N -0.621 108.155 108.800 -0.040 0.000 2.141 126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 126 G C -0.060 174.792 174.900 -0.079 0.000 0.984 126 G CA 0.188 45.255 45.100 -0.055 0.000 0.660 126 G HN 0.826 nan 8.290 nan 0.000 0.525 127 A N -1.281 121.489 122.820 -0.083 0.000 2.586 127 A HA 0.794 5.114 4.320 0.000 0.000 0.291 127 A C -3.143 174.399 177.584 -0.069 0.000 1.062 127 A CA -0.760 51.220 52.037 -0.095 0.000 0.666 127 A CB 0.703 19.659 19.000 -0.074 0.000 1.281 127 A HN 0.152 nan 8.150 nan 0.000 0.421 128 P HA 0.119 nan 4.420 nan 0.000 0.258 128 P C -0.349 177.010 177.300 0.100 0.000 1.172 128 P CA 0.550 63.659 63.100 0.015 0.000 0.762 128 P CB -0.159 31.552 31.700 0.018 0.000 0.764 129 F N 5.760 125.712 119.950 0.002 0.000 2.604 129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 129 F C 1.176 176.994 175.800 0.030 0.000 1.043 129 F CA 0.379 58.390 58.000 0.018 0.000 1.227 129 F CB -0.400 38.636 39.000 0.061 0.000 1.016 129 F HN 0.274 nan 8.300 nan 0.000 0.556 130 L N 3.587 124.438 121.223 -0.619 0.000 3.839 130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 130 L C 0.623 177.339 176.870 -0.257 0.000 1.195 130 L CA 0.557 55.052 54.840 -0.575 0.000 0.946 130 L CB -2.342 39.222 42.059 -0.825 0.000 1.891 130 L HN 0.734 nan 8.230 nan 0.000 0.963 131 S N -1.831 113.782 115.700 -0.145 0.000 2.645 131 S HA 0.529 4.999 4.470 0.000 0.000 0.266 131 S C 0.318 174.867 174.600 -0.086 0.000 1.258 131 S CA -0.028 58.126 58.200 -0.076 0.000 0.990 131 S CB 2.193 65.374 63.200 -0.032 0.000 0.967 131 S HN 0.278 nan 8.310 nan 0.000 0.556 132 S N 1.562 117.228 115.700 -0.056 0.000 2.498 132 S HA 0.402 4.872 4.470 0.000 0.000 0.324 132 S C -0.356 174.221 174.600 -0.038 0.000 1.071 132 S CA -0.836 57.335 58.200 -0.048 0.000 1.113 132 S CB -0.045 63.139 63.200 -0.027 0.000 0.976 132 S HN 0.786 nan 8.310 nan 0.000 0.462 133 M N 5.978 125.548 119.600 -0.050 0.000 2.238 133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 133 M C -1.088 175.192 176.300 -0.034 0.000 1.173 133 M CA -0.229 55.044 55.300 -0.047 0.000 1.147 133 M CB 0.637 33.199 32.600 -0.063 0.000 1.547 133 M HN 0.424 nan 8.290 nan 0.000 0.455 134 V N 4.648 124.548 119.914 -0.024 0.000 2.465 134 V HA 0.503 4.623 4.120 0.000 0.000 0.279 134 V C 0.425 176.508 176.094 -0.018 0.000 1.045 134 V CA -0.242 62.050 62.300 -0.013 0.000 0.938 134 V CB 1.072 32.892 31.823 -0.006 0.000 0.986 134 V HN 1.023 nan 8.190 nan 0.000 0.467 135 T N -0.232 114.315 114.554 -0.011 0.000 2.838 135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 135 T C 0.257 174.959 174.700 0.004 0.000 1.113 135 T CA -0.277 61.814 62.100 -0.015 0.000 1.008 135 T CB 1.904 70.748 68.868 -0.040 0.000 1.259 135 T HN 0.632 nan 8.240 nan 0.000 0.520 136 D N -0.061 120.341 120.400 0.003 0.000 2.336 136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 136 D C 0.657 176.973 176.300 0.028 0.000 1.061 136 D CA -0.179 53.829 54.000 0.012 0.000 0.875 136 D CB -0.379 40.425 40.800 0.006 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.788 117.514 115.700 0.043 0.000 2.544 137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 137 S C -1.049 173.604 174.600 0.088 0.000 1.276 137 S CA -0.927 57.324 58.200 0.085 0.000 1.075 137 S CB 0.995 64.294 63.200 0.164 0.000 0.849 137 S HN 0.100 nan 8.310 nan 0.000 0.494 138 P HA 0.068 nan 4.420 nan 0.000 0.225 138 P C 0.113 177.429 177.300 0.026 0.000 1.156 138 P CA 0.320 63.442 63.100 0.037 0.000 0.787 138 P CB -0.039 31.675 31.700 0.023 0.000 0.802 139 I N 1.174 121.772 120.570 0.047 0.000 2.648 139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 139 I C 1.320 177.377 176.117 -0.100 0.000 1.153 139 I CA 0.275 61.541 61.300 -0.055 0.000 1.426 139 I CB 0.180 38.138 38.000 -0.071 0.000 1.381 139 I HN -0.270 nan 8.210 nan 0.000 0.571 140 K N 6.646 126.940 120.400 -0.177 0.000 3.233 140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 140 K C -0.706 175.803 176.600 -0.151 0.000 1.209 140 K CA -0.003 56.210 56.287 -0.123 0.000 1.197 140 K CB -0.568 31.879 32.500 -0.088 0.000 1.431 140 K HN 0.388 nan 8.250 nan 0.000 0.326 141 Y N 0.426 120.714 120.300 -0.019 0.000 2.296 141 Y HA 0.304 4.854 4.550 0.000 0.000 0.343 141 Y C 1.547 177.433 175.900 -0.023 0.000 1.292 141 Y CA 0.571 58.657 58.100 -0.024 0.000 1.490 141 Y CB 0.916 39.359 38.460 -0.028 0.000 1.359 141 Y HN 0.448 nan 8.280 nan 0.000 0.599 142 G N 0.159 109.053 108.800 0.155 0.000 2.332 142 G HA2 -0.044 3.916 3.960 0.000 0.000 0.265 142 G HA3 -0.044 3.916 3.960 0.000 0.000 0.265 142 G C -1.791 173.132 174.900 0.039 0.000 1.329 142 G CA -0.862 44.282 45.100 0.073 0.000 0.949 142 G HN 0.526 nan 8.290 nan 0.000 0.476 143 D N 0.521 120.934 120.400 0.022 0.000 2.508 143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 143 D C 1.374 177.681 176.300 0.012 0.000 1.171 143 D CA 0.097 54.104 54.000 0.012 0.000 1.006 143 D CB 0.698 41.505 40.800 0.011 0.000 1.073 143 D HN 0.245 nan 8.370 nan 0.000 0.513 144 V N 2.849 122.769 119.914 0.009 0.000 2.575 144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 144 V C 1.878 177.975 176.094 0.006 0.000 1.045 144 V CA 0.781 63.084 62.300 0.004 0.000 1.065 144 V CB -0.123 31.699 31.823 -0.002 0.000 0.717 144 V HN 0.555 nan 8.190 nan 0.000 0.467 145 M N -0.416 119.186 119.600 0.003 0.000 2.371 145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 145 M C 0.369 176.683 176.300 0.024 0.000 1.103 145 M CA 0.092 55.397 55.300 0.009 0.000 1.010 145 M CB -0.649 31.948 32.600 -0.005 0.000 1.457 145 M HN 0.386 nan 8.290 nan 0.000 0.486 146 N N 1.150 119.863 118.700 0.022 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.021 176.569 175.510 0.063 0.000 0.993 146 N CA 0.263 53.336 53.050 0.038 0.000 0.759 146 N CB -1.232 37.283 38.487 0.047 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.196 119.737 119.914 0.033 0.000 2.287 147 V HA -0.109 4.011 4.120 0.000 0.000 0.248 147 V C 1.409 177.601 176.094 0.163 0.000 1.053 147 V CA 1.558 63.888 62.300 0.050 0.000 1.027 147 V CB 0.021 31.762 31.823 -0.137 0.000 0.646 147 V HN 0.410 nan 8.190 nan 0.000 0.447 148 I N 0.425 121.045 120.570 0.084 0.000 2.410 148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 148 I C -1.139 175.015 176.117 0.062 0.000 1.009 148 I CA -0.304 61.056 61.300 0.101 0.000 1.111 148 I CB 1.758 39.798 38.000 0.066 0.000 1.262 148 I HN 0.223 nan 8.210 nan 0.000 0.443 149 D N 5.446 125.887 120.400 0.069 0.000 2.717 149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 149 D C -1.613 174.731 176.300 0.073 0.000 1.240 149 D CA -0.303 53.735 54.000 0.062 0.000 0.801 149 D CB 2.313 43.153 40.800 0.067 0.000 1.556 149 D HN 0.680 nan 8.370 nan 0.000 0.462 150 A N 2.627 125.492 122.820 0.076 0.000 2.555 150 A HA 0.633 4.953 4.320 0.000 0.000 0.297 150 A C -2.847 174.816 177.584 0.131 0.000 1.060 150 A CA -1.207 50.899 52.037 0.114 0.000 0.710 150 A CB 1.160 20.211 19.000 0.084 0.000 1.282 150 A HN 0.433 nan 8.150 nan 0.000 0.399 151 P HA 0.339 nan 4.420 nan 0.000 0.268 151 P C 1.073 178.504 177.300 0.218 0.000 1.204 151 P CA 0.531 63.730 63.100 0.165 0.000 0.768 151 P CB 1.119 32.903 31.700 0.139 0.000 0.842 152 A N 3.032 125.935 122.820 0.138 0.000 1.978 152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 152 A C 1.006 178.708 177.584 0.196 0.000 1.170 152 A CA 1.996 54.108 52.037 0.124 0.000 0.636 152 A CB -0.903 18.141 19.000 0.073 0.000 0.810 152 A HN 0.643 nan 8.150 nan 0.000 0.448 153 T N -3.862 110.799 114.554 0.178 0.000 2.883 153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 153 T C -0.874 173.849 174.700 0.038 0.000 1.158 153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 153 T CB 1.492 70.401 68.868 0.068 0.000 1.186 153 T HN 0.167 nan 8.240 nan 0.000 0.499 154 I N 1.732 122.246 120.570 -0.093 0.000 2.439 154 I HA 0.571 4.741 4.170 0.000 0.000 0.283 154 I C 0.615 176.652 176.117 -0.133 0.000 1.023 154 I CA -1.105 60.085 61.300 -0.182 0.000 1.100 154 I CB 1.443 39.198 38.000 -0.409 0.000 1.238 154 I HN 1.033 nan 8.210 nan 0.000 0.445 155 A N 4.726 127.497 122.820 -0.082 0.000 2.346 155 A HA 0.703 5.023 4.320 0.000 0.000 0.252 155 A C 0.644 178.189 177.584 -0.066 0.000 1.089 155 A CA -0.270 51.731 52.037 -0.060 0.000 0.797 155 A CB 0.439 19.418 19.000 -0.035 0.000 1.047 155 A HN 0.838 nan 8.150 nan 0.000 0.494 156 A N -0.024 122.773 122.820 -0.039 0.000 2.566 156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 156 A C 1.623 179.192 177.584 -0.025 0.000 1.056 156 A CA 0.962 52.992 52.037 -0.011 0.000 0.757 156 A CB -1.116 17.909 19.000 0.042 0.000 0.979 156 A HN 2.751 nan 8.150 nan 0.000 0.508 157 G N 0.885 109.662 108.800 -0.039 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 0.565 175.432 174.900 -0.055 0.000 0.982 157 G CA 0.569 45.642 45.100 -0.045 0.000 0.632 157 G HN 2.180 nan 8.290 nan 0.000 0.529 158 A N -0.481 122.299 122.820 -0.068 0.000 2.264 158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 158 A C 0.258 177.787 177.584 -0.092 0.000 1.100 158 A CA 0.685 52.681 52.037 -0.070 0.000 0.839 158 A CB 1.051 20.012 19.000 -0.066 0.000 1.121 158 A HN 0.710 nan 8.150 nan 0.000 0.496 159 T N 0.534 115.044 114.554 -0.073 0.000 2.812 159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 159 T C 0.153 174.819 174.700 -0.058 0.000 0.990 159 T CA 0.056 62.112 62.100 -0.074 0.000 0.960 159 T CB 1.499 70.339 68.868 -0.047 0.000 0.948 159 T HN 1.045 nan 8.240 nan 0.000 0.438 160 G N 1.904 110.662 108.800 -0.070 0.000 2.400 160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 160 G C -0.883 174.033 174.900 0.027 0.000 1.143 160 G CA -0.576 44.510 45.100 -0.024 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.626 120.858 120.200 0.053 0.000 2.158 161 E HA 0.479 4.830 4.350 0.000 0.000 0.271 161 E C -0.912 175.748 176.600 0.100 0.000 0.911 161 E CA -0.517 55.925 56.400 0.070 0.000 0.767 161 E CB 2.384 32.114 29.700 0.050 0.000 1.120 161 E HN 0.133 nan 8.360 nan 0.000 0.405 162 L N 1.401 122.697 121.223 0.121 0.000 2.341 162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 162 L C 0.051 176.986 176.870 0.108 0.000 1.009 162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 162 L CB 2.105 44.275 42.059 0.185 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.228 116.840 114.554 0.097 0.000 2.921 163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 163 T C -1.092 173.653 174.700 0.076 0.000 1.013 163 T CA -0.364 61.784 62.100 0.081 0.000 0.990 163 T CB 1.640 70.576 68.868 0.113 0.000 1.023 163 T HN 0.439 nan 8.240 nan 0.000 0.447 164 M N 3.170 122.784 119.600 0.022 0.000 2.501 164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 164 M C -2.375 173.878 176.300 -0.078 0.000 1.192 164 M CA -0.761 54.529 55.300 -0.017 0.000 0.886 164 M CB 1.696 34.262 32.600 -0.056 0.000 1.710 164 M HN 0.619 nan 8.290 nan 0.000 0.457 165 Y N 2.711 122.979 120.300 -0.053 0.000 2.462 165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 165 Y C -1.530 174.414 175.900 0.073 0.000 0.976 165 Y CA -0.330 57.852 58.100 0.136 0.000 1.044 165 Y CB 2.064 40.659 38.460 0.224 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.204 121.799 120.300 0.491 0.000 2.477 166 Y HA 0.283 4.833 4.550 0.000 0.000 0.347 166 Y C -1.021 175.097 175.900 0.363 0.000 0.981 166 Y CA -1.554 56.728 58.100 0.302 0.000 1.033 166 Y CB 2.037 40.562 38.460 0.108 0.000 1.245 166 Y HN 0.644 nan 8.280 nan 0.000 0.455 167 W N 5.007 126.390 121.300 0.139 0.000 2.361 167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 167 W C -1.902 174.641 176.519 0.041 0.000 1.041 167 W CA -1.020 56.398 57.345 0.121 0.000 1.241 167 W CB 1.450 30.940 29.460 0.050 0.000 1.279 167 W HN 0.311 nan 8.180 nan 0.000 0.436 168 V N 9.394 129.022 119.914 -0.477 0.000 2.334 168 V HA 0.191 4.311 4.120 0.000 0.000 0.267 168 V C -1.588 174.013 176.094 -0.822 0.000 1.040 168 V CA -1.523 60.508 62.300 -0.447 0.000 0.866 168 V CB 0.946 32.636 31.823 -0.221 0.000 1.019 168 V HN 0.357 nan 8.190 nan 0.000 0.468 169 P HA 0.395 nan 4.420 nan 0.000 0.286 169 P C 0.033 177.230 177.300 -0.171 0.000 1.261 169 P CA -0.315 62.621 63.100 -0.275 0.000 0.821 169 P CB 2.536 34.397 31.700 0.267 0.000 1.013 170 L N 1.303 122.467 121.223 -0.099 0.000 2.675 170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 170 L C 1.363 178.361 176.870 0.215 0.000 1.135 170 L CA 0.101 54.901 54.840 -0.066 0.000 0.855 170 L CB -0.778 41.106 42.059 -0.291 0.000 1.235 170 L HN 0.326 nan 8.230 nan 0.000 0.499 171 A N -0.906 122.009 122.820 0.159 0.000 2.445 171 A HA -0.014 4.306 4.320 0.000 0.000 0.242 171 A C 0.525 178.262 177.584 0.255 0.000 1.075 171 A CA 0.027 52.179 52.037 0.192 0.000 0.777 171 A CB -0.016 19.060 19.000 0.126 0.000 1.013 171 A HN 0.361 nan 8.150 nan 0.000 0.493 172 Y N 2.254 122.543 120.300 -0.018 0.000 2.181 172 Y HA -0.025 4.525 4.550 0.000 0.000 0.288 172 Y C 1.278 177.132 175.900 -0.077 0.000 1.146 172 Y CA 1.791 59.709 58.100 -0.303 0.000 1.164 172 Y CB 0.020 38.324 38.460 -0.260 0.000 0.982 172 Y HN 0.878 nan 8.280 nan 0.000 0.515 173 S N -2.424 113.253 115.700 -0.038 0.000 2.790 173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 173 S C 0.350 174.933 174.600 -0.028 0.000 1.197 173 S CA -0.622 57.514 58.200 -0.108 0.000 0.851 173 S CB 1.081 64.203 63.200 -0.131 0.000 1.217 173 S HN 0.082 nan 8.310 nan 0.000 0.526 174 E N 1.099 121.253 120.200 -0.076 0.000 2.274 174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 174 E C 1.695 178.268 176.600 -0.044 0.000 0.996 174 E CA 1.820 58.176 56.400 -0.072 0.000 0.840 174 E CB -0.324 29.305 29.700 -0.118 0.000 0.772 174 E HN 0.847 nan 8.360 nan 0.000 0.491 175 T N -2.433 112.106 114.554 -0.024 0.000 2.985 175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 175 T C 0.446 175.154 174.700 0.014 0.000 1.021 175 T CA -0.304 61.789 62.100 -0.011 0.000 0.957 175 T CB 0.439 69.299 68.868 -0.013 0.000 1.047 175 T HN -0.208 nan 8.240 nan 0.000 0.511 176 D N 1.195 121.626 120.400 0.051 0.000 2.453 176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 176 D C 0.622 176.959 176.300 0.062 0.000 1.088 176 D CA -0.673 53.368 54.000 0.068 0.000 0.854 176 D CB 1.020 41.923 40.800 0.173 0.000 1.076 176 D HN 0.216 nan 8.370 nan 0.000 0.533 177 L N 2.503 123.735 121.223 0.015 0.000 2.627 177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 177 L C 0.772 177.641 176.870 -0.002 0.000 1.144 177 L CA 0.155 55.005 54.840 0.016 0.000 0.892 177 L CB -0.341 41.719 42.059 0.001 0.000 1.039 177 L HN 0.254 nan 8.230 nan 0.000 0.442 178 T N 0.856 115.375 114.554 -0.058 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.260 175.952 174.700 -0.014 0.000 0.998 178 T CA 1.057 63.053 62.100 -0.174 0.000 1.162 178 T CB 0.847 69.398 68.868 -0.527 0.000 0.947 178 T HN 0.632 nan 8.240 nan 0.000 0.536 179 G N 2.048 110.869 108.800 0.034 0.000 2.195 179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 179 G C 0.363 175.376 174.900 0.189 0.000 0.984 179 G CA -0.029 45.192 45.100 0.202 0.000 0.633 179 G HN 1.159 nan 8.290 nan 0.000 0.525 180 A N -0.478 122.405 122.820 0.106 0.000 2.386 180 A HA 0.649 4.969 4.320 0.000 0.000 0.246 180 A C 0.403 178.029 177.584 0.070 0.000 1.089 180 A CA 0.749 52.822 52.037 0.060 0.000 0.790 180 A CB 0.874 19.896 19.000 0.037 0.000 1.042 180 A HN 1.196 nan 8.150 nan 0.000 0.497 181 V N 1.875 121.807 119.914 0.030 0.000 2.448 181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 181 V C -0.479 175.647 176.094 0.052 0.000 1.025 181 V CA -0.511 61.827 62.300 0.063 0.000 0.859 181 V CB 1.346 33.205 31.823 0.059 0.000 0.988 181 V HN 0.768 nan 8.190 nan 0.000 0.431 182 L N 5.176 126.437 121.223 0.064 0.000 2.325 182 L HA 0.591 4.931 4.340 0.000 0.000 0.284 182 L C 0.864 177.769 176.870 0.058 0.000 1.089 182 L CA 0.698 55.567 54.840 0.048 0.000 0.836 182 L CB 0.993 43.085 42.059 0.055 0.000 1.184 182 L HN 0.748 nan 8.230 nan 0.000 0.444 183 A N 2.620 125.464 122.820 0.040 0.000 2.469 183 A HA 0.247 4.567 4.320 0.000 0.000 0.245 183 A C 1.545 179.146 177.584 0.028 0.000 1.221 183 A CA 0.482 52.542 52.037 0.039 0.000 0.946 183 A CB -0.806 18.214 19.000 0.034 0.000 1.049 183 A HN 0.766 nan 8.150 nan 0.000 0.529 184 N N 0.365 119.087 118.700 0.038 0.000 2.459 184 N HA 0.342 5.082 4.740 0.000 0.000 0.181 184 N C 1.299 176.856 175.510 0.079 0.000 1.046 184 N CA 1.073 54.157 53.050 0.058 0.000 0.904 184 N CB -0.907 37.638 38.487 0.097 0.000 0.964 184 N HN 0.782 nan 8.380 nan 0.000 0.444 185 V N 0.317 120.279 119.914 0.080 0.000 4.119 185 V HA 0.229 4.349 4.120 0.000 0.000 0.286 185 V C -1.142 174.984 176.094 0.053 0.000 0.996 185 V CA -0.510 61.835 62.300 0.076 0.000 1.027 185 V CB -1.133 30.734 31.823 0.074 0.000 1.193 185 V HN 0.306 nan 8.190 nan 0.000 0.454 186 P HA 0.189 nan 4.420 nan 0.000 0.274 186 P C 0.737 178.052 177.300 0.025 0.000 1.209 186 P CA 1.456 64.575 63.100 0.032 0.000 0.790 186 P CB 0.079 31.796 31.700 0.029 0.000 0.834 187 Q N 0.954 120.764 119.800 0.017 0.000 2.369 187 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 187 Q C 1.252 177.256 176.000 0.006 0.000 0.963 187 Q CA 1.299 57.109 55.803 0.011 0.000 0.894 187 Q CB -0.882 27.860 28.738 0.007 0.000 0.965 187 Q HN 0.514 nan 8.270 nan 0.000 0.475 188 S N 1.304 117.008 115.700 0.006 0.000 2.702 188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 188 S C 0.398 174.994 174.600 -0.005 0.000 1.244 188 S CA 0.181 58.379 58.200 -0.003 0.000 1.058 188 S CB 0.007 63.208 63.200 0.002 0.000 0.783 188 S HN 0.722 nan 8.310 nan 0.000 0.503 189 K N 4.345 124.732 120.400 -0.021 0.000 2.202 189 K HA 0.281 4.601 4.320 0.000 0.000 0.264 189 K C -0.067 176.505 176.600 -0.046 0.000 1.010 189 K CA -0.607 55.664 56.287 -0.027 0.000 0.940 189 K CB 0.544 33.021 32.500 -0.038 0.000 0.983 189 K HN 0.634 nan 8.250 nan 0.000 0.475 190 Q N 1.088 120.867 119.800 -0.035 0.000 2.212 190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 190 Q C -0.772 175.145 176.000 -0.137 0.000 0.955 190 Q CA -0.725 55.025 55.803 -0.088 0.000 0.906 190 Q CB 1.527 30.294 28.738 0.049 0.000 1.215 190 Q HN 0.461 nan 8.270 nan 0.000 0.478 191 R N 1.217 121.570 120.500 -0.246 0.000 2.483 191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 191 R C -1.627 174.558 176.300 -0.193 0.000 0.987 191 R CA -0.736 55.259 56.100 -0.176 0.000 0.881 191 R CB 1.191 31.403 30.300 -0.147 0.000 1.177 191 R HN 0.330 nan 8.270 nan 0.000 0.451 192 L N 3.783 124.902 121.223 -0.173 0.000 2.301 192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 192 L C -0.867 175.904 176.870 -0.165 0.000 1.022 192 L CA -0.255 54.469 54.840 -0.193 0.000 0.854 192 L CB 0.809 42.605 42.059 -0.438 0.000 1.226 192 L HN 0.398 nan 8.230 nan 0.000 0.429 193 K N 6.143 126.475 120.400 -0.114 0.000 2.201 193 K HA 0.599 4.919 4.320 0.000 0.000 0.278 193 K C -1.220 175.258 176.600 -0.203 0.000 1.027 193 K CA -0.410 55.807 56.287 -0.117 0.000 0.909 193 K CB 1.349 33.823 32.500 -0.043 0.000 1.062 193 K HN 0.542 nan 8.250 nan 0.000 0.465 194 L N 2.470 123.547 121.223 -0.244 0.000 2.381 194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 194 L C -0.433 176.201 176.870 -0.392 0.000 0.988 194 L CA -0.621 53.956 54.840 -0.438 0.000 0.824 194 L CB 1.936 43.596 42.059 -0.666 0.000 1.263 194 L HN 0.649 nan 8.230 nan 0.000 0.410 195 E N 3.209 123.158 120.200 -0.419 0.000 2.129 195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 195 E C -1.299 175.122 176.600 -0.297 0.000 0.900 195 E CA -0.609 55.650 56.400 -0.235 0.000 0.755 195 E CB 1.030 30.646 29.700 -0.139 0.000 1.117 195 E HN 0.299 nan 8.360 nan 0.000 0.410 196 F N 1.902 121.864 119.950 0.021 0.000 2.370 196 F HA 0.462 4.989 4.527 0.000 0.000 0.319 196 F C 1.076 176.904 175.800 0.046 0.000 1.129 196 F CA -0.546 57.492 58.000 0.063 0.000 1.109 196 F CB 0.832 39.964 39.000 0.219 0.000 1.262 196 F HN 0.507 nan 8.300 nan 0.000 0.534 197 A N 1.652 124.618 122.820 0.243 0.000 2.448 197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 197 A C -0.259 177.383 177.584 0.097 0.000 1.080 197 A CA -0.167 51.971 52.037 0.169 0.000 0.779 197 A CB -0.195 18.955 19.000 0.249 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.714 118.098 118.700 0.187 0.000 3.102 198 N HA 0.254 4.994 4.740 0.000 0.000 0.299 198 N C -0.119 175.639 175.510 0.414 0.000 1.482 198 N CA -0.822 52.367 53.050 0.231 0.000 0.785 198 N CB 0.349 38.945 38.487 0.182 0.000 1.680 198 N HN 0.298 nan 8.380 nan 0.000 0.594 199 N N -0.567 118.400 118.700 0.445 0.000 2.520 199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 199 N C -0.026 175.695 175.510 0.352 0.000 1.068 199 N CA 0.668 54.020 53.050 0.503 0.000 0.911 199 N CB -0.536 38.202 38.487 0.417 0.000 0.961 199 N HN 0.579 nan 8.380 nan 0.000 0.446 200 N N -1.030 117.807 118.700 0.229 0.000 2.388 200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 200 N C 1.504 177.084 175.510 0.116 0.000 1.062 200 N CA 0.805 53.955 53.050 0.166 0.000 0.895 200 N CB 0.388 38.954 38.487 0.130 0.000 1.018 200 N HN 0.244 nan 8.380 nan 0.000 0.456 201 T N -2.850 111.757 114.554 0.088 0.000 3.000 201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 201 T C 1.847 176.512 174.700 -0.058 0.000 1.034 201 T CA 0.158 62.285 62.100 0.045 0.000 1.060 201 T CB 0.099 69.013 68.868 0.077 0.000 0.983 201 T HN 0.039 nan 8.240 nan 0.000 0.482 202 A N 0.806 123.480 122.820 -0.243 0.000 2.066 202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 202 A C 0.286 177.365 177.584 -0.842 0.000 1.157 202 A CA 0.172 51.830 52.037 -0.632 0.000 0.670 202 A CB -0.626 17.773 19.000 -1.002 0.000 0.804 202 A HN 0.600 nan 8.150 nan 0.000 0.453 203 F N -0.843 119.166 119.950 0.098 0.000 2.477 203 F HA 0.649 5.176 4.527 0.000 0.000 0.335 203 F C 0.222 176.056 175.800 0.057 0.000 1.130 203 F CA -0.810 57.231 58.000 0.069 0.000 0.948 203 F CB 1.744 40.764 39.000 0.032 0.000 1.154 203 F HN 0.050 nan 8.300 nan 0.000 0.439 204 A N 2.209 125.140 122.820 0.185 0.000 2.304 204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 204 A C -0.215 177.426 177.584 0.096 0.000 1.195 204 A CA -0.634 51.468 52.037 0.109 0.000 0.826 204 A CB 0.681 19.713 19.000 0.053 0.000 1.184 204 A HN 0.942 nan 8.150 nan 0.000 0.496 205 A N 1.797 124.663 122.820 0.076 0.000 2.366 205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 205 A C 0.431 178.034 177.584 0.032 0.000 1.084 205 A CA -0.295 51.772 52.037 0.049 0.000 0.794 205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 205 A HN 1.215 nan 8.150 nan 0.000 0.491 206 V N 1.379 121.302 119.914 0.016 0.000 2.694 206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 206 V C 1.704 177.804 176.094 0.011 0.000 1.054 206 V CA 1.857 64.162 62.300 0.009 0.000 1.161 206 V CB 0.013 31.834 31.823 -0.002 0.000 0.916 206 V HN 1.981 nan 8.190 nan 0.000 0.490 207 G N 3.138 111.943 108.800 0.009 0.000 2.225 207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 207 G C 0.383 175.289 174.900 0.010 0.000 0.988 207 G CA 0.287 45.390 45.100 0.006 0.000 0.625 207 G HN 1.524 nan 8.290 nan 0.000 0.527 208 A N -0.233 122.598 122.820 0.019 0.000 2.264 208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 208 A C 0.471 178.072 177.584 0.029 0.000 1.100 208 A CA 0.019 52.072 52.037 0.026 0.000 0.839 208 A CB 0.453 19.475 19.000 0.037 0.000 1.121 208 A HN 0.491 nan 8.150 nan 0.000 0.496 209 N N 1.172 119.894 118.700 0.036 0.000 2.452 209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 209 N C -1.773 173.761 175.510 0.040 0.000 1.209 209 N CA -1.282 51.804 53.050 0.061 0.000 0.929 209 N CB 1.007 39.533 38.487 0.065 0.000 1.063 209 N HN 0.351 nan 8.380 nan 0.000 0.472 210 P HA 0.000 nan 4.420 nan 0.000 0.261 210 P C 1.507 178.638 177.300 -0.282 0.000 1.268 210 P CA -0.135 62.898 63.100 -0.111 0.000 0.833 210 P CB 0.471 32.086 31.700 -0.142 0.000 1.231 211 L N 1.558 122.632 121.223 -0.249 0.000 2.010 211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 211 L C 1.737 178.404 176.870 -0.339 0.000 1.077 211 L CA 2.208 56.772 54.840 -0.460 0.000 0.773 211 L CB -0.888 41.143 42.059 -0.046 0.000 0.892 211 L HN -0.119 nan 8.230 nan 0.000 0.436 212 E N -0.007 120.154 120.200 -0.064 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.687 177.308 176.600 0.036 0.000 1.039 212 E CA 0.574 57.020 56.400 0.077 0.000 0.881 212 E CB -0.066 29.718 29.700 0.139 0.000 0.970 212 E HN 0.577 nan 8.360 nan 0.000 0.486 213 A N 0.750 123.540 122.820 -0.050 0.000 2.271 213 A HA 0.505 4.825 4.320 0.000 0.000 0.288 213 A C 1.109 178.647 177.584 -0.077 0.000 1.094 213 A CA -0.444 51.557 52.037 -0.059 0.000 0.828 213 A CB 0.529 19.500 19.000 -0.048 0.000 1.091 213 A HN 0.047 nan 8.150 nan 0.000 0.493 214 I N -1.569 118.947 120.570 -0.091 0.000 3.039 214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 214 I C -0.352 175.579 176.117 -0.310 0.000 1.150 214 I CA 0.658 61.873 61.300 -0.142 0.000 1.448 214 I CB -0.012 37.965 38.000 -0.039 0.000 1.197 214 I HN 0.585 nan 8.210 nan 0.000 0.450 215 Y N 0.345 120.666 120.300 0.035 0.000 2.499 215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 215 Y C -0.238 175.717 175.900 0.091 0.000 0.987 215 Y CA -0.738 57.418 58.100 0.092 0.000 1.044 215 Y CB 1.762 40.330 38.460 0.179 0.000 1.245 215 Y HN -0.062 nan 8.280 nan 0.000 0.461 216 Q N 1.300 121.224 119.800 0.205 0.000 2.359 216 Q HA 0.771 5.111 4.340 0.000 0.000 0.274 216 Q C -0.979 175.078 176.000 0.094 0.000 1.074 216 Q CA -0.641 55.234 55.803 0.120 0.000 0.810 216 Q CB 2.693 31.457 28.738 0.043 0.000 1.342 216 Q HN 0.970 nan 8.270 nan 0.000 0.427 217 G N 0.340 109.172 108.800 0.053 0.000 2.336 217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 217 G C -0.206 174.668 174.900 -0.044 0.000 1.375 217 G CA -0.128 44.974 45.100 0.004 0.000 0.885 217 G HN 0.739 nan 8.290 nan 0.000 0.599 218 A N -0.838 121.926 122.820 -0.093 0.000 2.024 218 A HA 0.291 4.611 4.320 0.000 0.000 0.220 218 A C 2.280 179.672 177.584 -0.319 0.000 1.164 218 A CA 2.804 54.745 52.037 -0.159 0.000 0.643 218 A CB -0.492 18.410 19.000 -0.163 0.000 0.806 218 A HN 2.033 nan 8.150 nan 0.000 0.451 219 G N -1.703 106.884 108.800 -0.356 0.000 3.189 219 G HA2 0.349 4.309 3.960 0.000 0.000 0.225 219 G HA3 0.349 4.309 3.960 0.000 0.000 0.225 219 G C 1.266 176.072 174.900 -0.156 0.000 1.159 219 G CA 0.864 45.688 45.100 -0.461 0.000 0.763 219 G HN 0.626 nan 8.290 nan 0.000 0.549 220 A N 1.451 124.218 122.820 -0.088 0.000 1.892 220 A HA 0.103 4.423 4.320 0.000 0.000 0.218 220 A C 2.771 180.345 177.584 -0.016 0.000 1.188 220 A CA 2.233 54.259 52.037 -0.017 0.000 0.631 220 A CB -0.734 18.319 19.000 0.088 0.000 0.822 220 A HN 0.805 nan 8.150 nan 0.000 0.447 221 A N -0.652 122.187 122.820 0.030 0.000 2.032 221 A HA -0.173 4.147 4.320 0.000 0.000 0.221 221 A C 1.341 178.932 177.584 0.011 0.000 1.165 221 A CA 1.805 53.872 52.037 0.050 0.000 0.645 221 A CB -0.355 18.687 19.000 0.071 0.000 0.807 221 A HN 0.488 nan 8.150 nan 0.000 0.453 222 D N -1.235 119.163 120.400 -0.002 0.000 2.424 222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 222 D C -0.367 175.817 176.300 -0.193 0.000 1.150 222 D CA -0.044 53.925 54.000 -0.052 0.000 0.831 222 D CB -0.093 40.715 40.800 0.013 0.000 0.981 222 D HN 0.290 nan 8.370 nan 0.000 0.500 223 C N 1.537 120.598 119.300 -0.398 0.000 2.398 223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 223 C C 0.527 175.008 174.990 -0.849 0.000 1.219 223 C CA -0.507 58.033 59.018 -0.796 0.000 2.312 223 C CB 0.880 27.763 27.740 -1.428 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.603 120.397 120.200 -0.677 0.000 2.407 224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 224 E C -1.733 174.819 176.600 -0.079 0.000 1.012 224 E CA -0.686 55.588 56.400 -0.209 0.000 0.800 224 E CB 0.624 30.301 29.700 -0.039 0.000 1.276 224 E HN 0.401 nan 8.360 nan 0.000 0.452 225 F N 1.459 121.528 119.950 0.197 0.000 2.427 225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 225 F C 1.780 177.602 175.800 0.036 0.000 1.100 225 F CA 0.045 58.128 58.000 0.139 0.000 1.191 225 F CB 1.442 40.514 39.000 0.121 0.000 1.128 225 F HN 0.764 nan 8.300 nan 0.000 0.533 226 E N 2.423 122.733 120.200 0.183 0.000 2.076 226 E HA -0.046 4.304 4.350 0.000 0.000 0.190 226 E C -0.242 176.395 176.600 0.061 0.000 0.979 226 E CA 0.886 57.335 56.400 0.083 0.000 0.807 226 E CB 0.367 30.090 29.700 0.038 0.000 0.761 226 E HN 0.806 nan 8.360 nan 0.000 0.454 227 E N -1.010 119.225 120.200 0.058 0.000 2.398 227 E HA 0.350 4.700 4.350 0.000 0.000 0.280 227 E C -1.304 175.162 176.600 -0.222 0.000 1.122 227 E CA -0.688 55.640 56.400 -0.120 0.000 0.873 227 E CB 0.541 30.162 29.700 -0.132 0.000 1.294 227 E HN 0.044 nan 8.360 nan 0.000 0.435 228 I N 0.954 121.156 120.570 -0.612 0.000 2.647 228 I HA 0.566 4.736 4.170 0.000 0.000 0.295 228 I C -0.894 174.796 176.117 -0.711 0.000 1.078 228 I CA -0.946 59.929 61.300 -0.708 0.000 1.048 228 I CB 2.218 39.533 38.000 -1.142 0.000 1.239 228 I HN 0.562 nan 8.210 nan 0.000 0.421 229 S N 4.151 119.630 115.700 -0.369 0.000 2.549 229 S HA 0.781 5.251 4.470 0.000 0.000 0.280 229 S C -1.593 172.945 174.600 -0.103 0.000 1.109 229 S CA -0.435 57.609 58.200 -0.260 0.000 0.905 229 S CB 1.446 64.533 63.200 -0.188 0.000 1.081 229 S HN 0.484 nan 8.310 nan 0.000 0.477 230 Y N -0.179 120.037 120.300 -0.140 0.000 2.562 230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 230 Y C -0.868 175.005 175.900 -0.044 0.000 1.045 230 Y CA -0.841 57.236 58.100 -0.038 0.000 1.028 230 Y CB 1.410 39.916 38.460 0.077 0.000 1.297 230 Y HN 0.435 nan 8.280 nan 0.000 0.463 231 T N 2.885 117.552 114.554 0.189 0.000 2.928 231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 231 T C -1.450 173.334 174.700 0.140 0.000 1.000 231 T CA -0.653 61.469 62.100 0.038 0.000 0.989 231 T CB 1.527 70.359 68.868 -0.061 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.066 124.035 119.914 0.093 0.000 2.398 232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 232 V C -1.147 174.980 176.094 0.056 0.000 1.026 232 V CA -0.767 61.630 62.300 0.161 0.000 0.868 232 V CB 0.907 32.827 31.823 0.160 0.000 0.982 232 V HN 0.818 nan 8.190 nan 0.000 0.443 233 Y N 2.978 123.460 120.300 0.303 0.000 2.352 233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 233 Y C 0.296 176.393 175.900 0.329 0.000 0.992 233 Y CA -0.331 57.945 58.100 0.292 0.000 1.100 233 Y CB 1.731 40.361 38.460 0.282 0.000 1.192 233 Y HN 0.565 nan 8.280 nan 0.000 0.458 234 Q N 2.165 122.232 119.800 0.445 0.000 2.271 234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 234 Q C -0.888 175.280 176.000 0.280 0.000 0.936 234 Q CA -0.573 55.409 55.803 0.299 0.000 0.909 234 Q CB 1.327 30.269 28.738 0.339 0.000 1.253 234 Q HN 0.653 nan 8.270 nan 0.000 0.440 235 S N 4.389 120.157 115.700 0.114 0.000 2.433 235 S HA 0.620 5.090 4.470 0.000 0.000 0.310 235 S C -1.369 173.312 174.600 0.136 0.000 1.097 235 S CA -0.379 57.913 58.200 0.154 0.000 1.103 235 S CB 0.225 63.622 63.200 0.328 0.000 0.992 235 S HN 0.572 nan 8.310 nan 0.000 0.469 236 Y N 2.088 122.388 120.300 -0.000 0.000 2.689 236 Y HA 0.727 5.277 4.550 0.000 0.000 0.333 236 Y C -1.808 174.090 175.900 -0.004 0.000 1.190 236 Y CA -1.584 56.503 58.100 -0.022 0.000 1.063 236 Y CB 0.886 39.332 38.460 -0.023 0.000 1.294 236 Y HN 0.414 nan 8.280 nan 0.000 0.466 237 L N 2.406 123.709 121.223 0.133 0.000 2.313 237 L HA 0.477 4.817 4.340 0.000 0.000 0.283 237 L C -0.853 176.113 176.870 0.160 0.000 1.013 237 L CA -0.569 54.294 54.840 0.038 0.000 0.816 237 L CB 1.436 43.500 42.059 0.008 0.000 1.236 237 L HN 0.689 nan 8.230 nan 0.000 0.419 238 D N 1.813 122.286 120.400 0.122 0.000 2.449 238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 238 D C -0.340 176.022 176.300 0.103 0.000 1.050 238 D CA -0.016 54.091 54.000 0.179 0.000 1.024 238 D CB 1.428 42.370 40.800 0.237 0.000 1.218 238 D HN 0.362 nan 8.370 nan 0.000 0.566 239 Q N 0.162 120.016 119.800 0.089 0.000 2.470 239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 239 Q C -0.482 175.535 176.000 0.028 0.000 1.356 239 Q CA 0.363 56.208 55.803 0.070 0.000 0.805 239 Q CB -1.843 26.945 28.738 0.083 0.000 1.157 239 Q HN 0.471 nan 8.270 nan 0.000 0.431 240 L N 2.012 123.203 121.223 -0.052 0.000 2.490 240 L HA 0.119 4.459 4.340 0.000 0.000 0.274 240 L C -1.053 175.791 176.870 -0.043 0.000 1.201 240 L CA -1.094 53.654 54.840 -0.153 0.000 0.869 240 L CB -0.205 41.555 42.059 -0.498 0.000 1.123 240 L HN 0.010 nan 8.230 nan 0.000 0.484 241 P HA 0.138 nan 4.420 nan 0.000 0.271 241 P C -0.822 176.572 177.300 0.158 0.000 1.216 241 P CA -0.177 62.964 63.100 0.069 0.000 0.771 241 P CB 1.385 33.110 31.700 0.041 0.000 0.864 242 V N 2.441 122.459 119.914 0.174 0.000 2.667 242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 242 V C 0.903 177.057 176.094 0.101 0.000 1.048 242 V CA -0.152 62.263 62.300 0.192 0.000 0.928 242 V CB 1.708 33.627 31.823 0.160 0.000 1.004 242 V HN 0.903 nan 8.190 nan 0.000 0.444 243 G N 1.168 110.016 108.800 0.080 0.000 3.247 243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 243 G C 0.545 175.462 174.900 0.029 0.000 1.220 243 G CA 0.572 45.701 45.100 0.049 0.000 0.875 243 G HN 0.745 nan 8.290 nan 0.000 0.606 244 Q N -1.446 118.367 119.800 0.022 0.000 1.921 244 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 244 Q C 2.560 178.563 176.000 0.006 0.000 0.994 244 Q CA 2.964 58.774 55.803 0.012 0.000 0.857 244 Q CB -1.988 26.757 28.738 0.011 0.000 0.925 244 Q HN 1.337 nan 8.270 nan 0.000 0.421 245 N N -0.091 118.615 118.700 0.010 0.000 2.519 245 N HA 0.371 5.111 4.740 0.000 0.000 0.186 245 N C 1.466 176.972 175.510 -0.007 0.000 1.062 245 N CA 1.781 54.833 53.050 0.003 0.000 0.910 245 N CB -0.138 38.356 38.487 0.012 0.000 0.958 245 N HN 1.582 nan 8.380 nan 0.000 0.445 246 G N -1.874 106.927 108.800 0.001 0.000 2.250 246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 246 G C -0.805 174.141 174.900 0.077 0.000 1.308 246 G CA -0.415 44.667 45.100 -0.029 0.000 1.207 246 G HN 0.455 nan 8.290 nan 0.000 0.505 247 Y N 0.917 121.228 120.300 0.018 0.000 2.805 247 Y HA 0.221 4.771 4.550 0.000 0.000 0.331 247 Y C 1.342 177.253 175.900 0.018 0.000 1.241 247 Y CA -0.087 58.026 58.100 0.021 0.000 1.546 247 Y CB 0.196 38.671 38.460 0.024 0.000 1.248 247 Y HN 0.238 nan 8.280 nan 0.000 0.559 248 I N 6.727 127.407 120.570 0.184 0.000 2.308 248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 248 I C -0.475 175.677 176.117 0.057 0.000 1.078 248 I CA 0.265 61.620 61.300 0.092 0.000 1.292 248 I CB 0.055 38.093 38.000 0.063 0.000 1.423 248 I HN 0.366 nan 8.210 nan 0.000 0.493 249 L N 8.628 129.884 121.223 0.054 0.000 2.401 249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 249 L C -2.421 174.459 176.870 0.017 0.000 0.991 249 L CA -1.878 52.979 54.840 0.028 0.000 0.818 249 L CB 2.527 44.614 42.059 0.045 0.000 1.321 249 L HN 0.344 nan 8.230 nan 0.000 0.413 250 P HA 0.166 nan 4.420 nan 0.000 0.273 250 P C 0.648 177.944 177.300 -0.007 0.000 1.428 250 P CA -0.232 62.863 63.100 -0.009 0.000 0.995 250 P CB 0.652 32.340 31.700 -0.020 0.000 1.286 251 L N 2.684 123.906 121.223 -0.001 0.000 2.131 251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 251 L C 2.371 179.234 176.870 -0.012 0.000 1.092 251 L CA 1.308 56.150 54.840 0.003 0.000 0.759 251 L CB -0.522 41.542 42.059 0.009 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.424 120.128 120.570 -0.031 0.000 2.233 252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 252 I C 2.109 178.181 176.117 -0.076 0.000 1.093 252 I CA 1.009 62.277 61.300 -0.055 0.000 1.380 252 I CB -0.419 37.537 38.000 -0.072 0.000 1.067 252 I HN 0.201 nan 8.210 nan 0.000 0.413 253 D N 1.336 121.689 120.400 -0.077 0.000 2.106 253 D HA -0.176 4.464 4.640 0.000 0.000 0.191 253 D C 2.195 178.470 176.300 -0.041 0.000 0.997 253 D CA 1.473 55.421 54.000 -0.087 0.000 0.834 253 D CB -0.395 40.369 40.800 -0.060 0.000 0.956 253 D HN 0.277 nan 8.370 nan 0.000 0.448 254 L N 0.408 121.625 121.223 -0.009 0.000 2.465 254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 254 L C 1.712 178.605 176.870 0.038 0.000 1.145 254 L CA 0.741 55.597 54.840 0.028 0.000 0.834 254 L CB -0.241 41.838 42.059 0.033 0.000 0.944 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.019 112.687 115.700 0.011 0.000 2.568 255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 255 S C 0.565 175.162 174.600 -0.006 0.000 0.975 255 S CA -0.536 57.672 58.200 0.014 0.000 0.949 255 S CB 0.080 63.285 63.200 0.008 0.000 0.829 255 S HN 0.111 nan 8.310 nan 0.000 0.479 256 T N 2.748 117.286 114.554 -0.026 0.000 2.855 256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 256 T C -0.606 174.088 174.700 -0.009 0.000 1.007 256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 256 T CB 1.406 70.170 68.868 -0.174 0.000 0.983 256 T HN 0.240 nan 8.240 nan 0.000 0.455 257 L N 2.944 124.162 121.223 -0.009 0.000 2.295 257 L HA 0.506 4.846 4.340 0.000 0.000 0.285 257 L C -1.028 175.930 176.870 0.147 0.000 1.035 257 L CA -1.130 53.686 54.840 -0.039 0.000 0.806 257 L CB 0.875 42.791 42.059 -0.238 0.000 1.214 257 L HN 0.627 nan 8.230 nan 0.000 0.426 258 Y N 4.064 124.418 120.300 0.090 0.000 2.388 258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 258 Y C -0.932 174.922 175.900 -0.077 0.000 0.963 258 Y CA -1.140 57.061 58.100 0.168 0.000 1.240 258 Y CB 0.651 39.343 38.460 0.385 0.000 1.118 258 Y HN 0.531 nan 8.280 nan 0.000 0.484 259 N N 5.853 124.107 118.700 -0.743 0.000 2.312 259 N HA 0.573 5.313 4.740 0.000 0.000 0.296 259 N C -1.520 173.473 175.510 -0.861 0.000 1.193 259 N CA -0.660 51.894 53.050 -0.828 0.000 0.773 259 N CB 2.369 40.362 38.487 -0.823 0.000 1.435 259 N HN 0.567 nan 8.380 nan 0.000 0.484 260 L N 0.490 121.417 121.223 -0.493 0.000 2.346 260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 260 L C 0.017 176.882 176.870 -0.008 0.000 1.006 260 L CA -0.546 54.181 54.840 -0.189 0.000 0.817 260 L CB 1.715 43.650 42.059 -0.207 0.000 1.272 260 L HN 0.380 nan 8.230 nan 0.000 0.421 261 E N 2.073 122.406 120.200 0.221 0.000 2.390 261 E HA 0.342 4.692 4.350 0.000 0.000 0.277 261 E C -1.509 175.191 176.600 0.166 0.000 0.939 261 E CA -0.819 55.712 56.400 0.218 0.000 0.769 261 E CB 3.090 33.002 29.700 0.354 0.000 1.251 261 E HN 0.670 nan 8.360 nan 0.000 0.450 262 N N -0.006 118.727 118.700 0.055 0.000 2.453 262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 262 N C -1.086 174.461 175.510 0.063 0.000 1.250 262 N CA -0.608 52.403 53.050 -0.066 0.000 0.815 262 N CB 1.855 40.204 38.487 -0.230 0.000 1.381 262 N HN 0.472 nan 8.380 nan 0.000 0.510 263 S N -1.981 113.756 115.700 0.062 0.000 2.615 263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 263 S C -1.656 173.010 174.600 0.110 0.000 1.161 263 S CA -0.898 57.370 58.200 0.114 0.000 0.817 263 S CB 1.098 64.407 63.200 0.181 0.000 1.131 263 S HN 1.092 nan 8.310 nan 0.000 0.467 264 A N 0.861 123.754 122.820 0.121 0.000 2.414 264 A HA 0.841 5.161 4.320 0.000 0.000 0.306 264 A C -1.162 176.509 177.584 0.144 0.000 1.054 264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 264 A CB 1.611 20.692 19.000 0.136 0.000 1.267 264 A HN 0.689 nan 8.150 nan 0.000 0.418 265 Q N 0.091 120.001 119.800 0.183 0.000 2.372 265 Q HA 0.725 5.065 4.340 0.000 0.000 0.273 265 Q C -0.703 175.466 176.000 0.281 0.000 1.078 265 Q CA -0.599 55.359 55.803 0.259 0.000 0.806 265 Q CB 2.518 31.456 28.738 0.333 0.000 1.332 265 Q HN 1.086 nan 8.270 nan 0.000 0.435 266 A N -0.435 122.557 122.820 0.286 0.000 2.486 266 A HA 0.909 5.229 4.320 0.000 0.000 0.289 266 A C 0.209 177.909 177.584 0.194 0.000 1.176 266 A CA -0.137 51.969 52.037 0.115 0.000 0.757 266 A CB 1.613 20.652 19.000 0.064 0.000 1.337 266 A HN 1.004 nan 8.150 nan 0.000 0.423 267 G N -0.912 107.887 108.800 -0.002 0.000 2.155 267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 267 G C -0.400 174.482 174.900 -0.029 0.000 1.023 267 G CA -0.081 45.077 45.100 0.096 0.000 0.688 267 G HN 0.780 nan 8.290 nan 0.000 0.499 268 L N 1.383 122.364 121.223 -0.403 0.000 2.397 268 L HA 0.684 5.024 4.340 0.000 0.000 0.271 268 L C 0.584 177.356 176.870 -0.163 0.000 1.148 268 L CA 0.292 54.859 54.840 -0.456 0.000 0.825 268 L CB 1.447 43.111 42.059 -0.658 0.000 1.117 268 L HN 0.162 nan 8.230 nan 0.000 0.456 269 T N 2.404 116.898 114.554 -0.099 0.000 2.916 269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 269 T C -2.636 172.030 174.700 -0.057 0.000 1.031 269 T CA -1.391 60.678 62.100 -0.051 0.000 0.993 269 T CB 1.918 70.778 68.868 -0.014 0.000 1.045 269 T HN 0.214 nan 8.240 nan 0.000 0.454 270 P HA 0.054 nan 4.420 nan 0.000 0.261 270 P C 0.364 177.636 177.300 -0.048 0.000 1.173 270 P CA 0.438 63.512 63.100 -0.044 0.000 0.760 270 P CB 0.146 31.830 31.700 -0.026 0.000 0.783 271 N N -0.906 117.752 118.700 -0.069 0.000 2.753 271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 271 N C -0.606 174.869 175.510 -0.058 0.000 1.097 271 N CA 0.755 53.766 53.050 -0.066 0.000 0.786 271 N CB -1.650 36.820 38.487 -0.027 0.000 1.137 271 N HN 0.187 nan 8.380 nan 0.000 0.566 272 V N 0.927 120.802 119.914 -0.065 0.000 2.555 272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 272 V C 0.093 176.158 176.094 -0.048 0.000 1.038 272 V CA -0.847 61.434 62.300 -0.033 0.000 0.887 272 V CB 2.157 33.978 31.823 -0.003 0.000 0.991 272 V HN -0.053 nan 8.190 nan 0.000 0.434 273 D N 3.317 123.700 120.400 -0.029 0.000 2.434 273 D HA 0.126 4.766 4.640 0.000 0.000 0.252 273 D C -0.572 175.743 176.300 0.026 0.000 1.185 273 D CA 0.497 54.476 54.000 -0.035 0.000 0.886 273 D CB 0.416 41.218 40.800 0.004 0.000 1.148 273 D HN 0.342 nan 8.370 nan 0.000 0.483 274 F N 3.598 123.454 119.950 -0.157 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.725 175.017 175.800 -0.096 0.000 1.122 274 F CA -0.806 57.119 58.000 -0.125 0.000 1.090 274 F CB 0.812 39.710 39.000 -0.171 0.000 1.150 274 F HN -0.000 nan 8.300 nan 0.000 0.472 275 V N 6.968 126.612 119.914 -0.451 0.000 2.384 275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 275 V C -0.569 175.272 176.094 -0.422 0.000 1.020 275 V CA -0.892 61.216 62.300 -0.319 0.000 0.850 275 V CB 1.418 33.131 31.823 -0.183 0.000 0.987 275 V HN 0.493 nan 8.190 nan 0.000 0.436 276 V N 5.470 125.233 119.914 -0.251 0.000 2.328 276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 276 V C 0.228 176.186 176.094 -0.227 0.000 1.021 276 V CA -0.590 61.574 62.300 -0.226 0.000 0.838 276 V CB 1.083 32.838 31.823 -0.112 0.000 0.999 276 V HN 0.925 nan 8.190 nan 0.000 0.447 277 Q N 3.217 122.894 119.800 -0.205 0.000 2.352 277 Q HA 0.345 4.685 4.340 0.000 0.000 0.260 277 Q C -1.144 174.608 176.000 -0.413 0.000 0.976 277 Q CA -0.023 55.647 55.803 -0.222 0.000 0.881 277 Q CB 0.981 29.645 28.738 -0.123 0.000 1.235 277 Q HN 0.655 nan 8.270 nan 0.000 0.419 278 Y N 0.203 120.248 120.300 -0.426 0.000 2.320 278 Y HA 0.404 4.954 4.550 0.000 0.000 0.324 278 Y C 0.480 175.936 175.900 -0.740 0.000 1.190 278 Y CA -0.566 57.150 58.100 -0.640 0.000 1.215 278 Y CB 1.081 39.128 38.460 -0.689 0.000 1.221 278 Y HN 0.669 nan 8.280 nan 0.000 0.486 279 A N 2.408 124.955 122.820 -0.454 0.000 2.272 279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 279 A C -0.258 177.122 177.584 -0.340 0.000 1.096 279 A CA -0.729 50.873 52.037 -0.725 0.000 0.822 279 A CB 0.058 18.820 19.000 -0.396 0.000 1.088 279 A HN 0.876 nan 8.150 nan 0.000 0.495 280 N N -1.423 117.110 118.700 -0.278 0.000 2.447 280 N HA 0.480 5.220 4.740 0.000 0.000 0.271 280 N C 0.203 175.607 175.510 -0.176 0.000 1.226 280 N CA -0.021 52.915 53.050 -0.190 0.000 0.980 280 N CB 1.039 39.446 38.487 -0.133 0.000 1.206 280 N HN 1.418 nan 8.380 nan 0.000 0.558 281 L N -3.357 117.812 121.223 -0.090 0.000 3.121 281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 281 L C -1.049 176.102 176.870 0.467 0.000 0.695 281 L CA 1.596 56.541 54.840 0.175 0.000 3.096 281 L CB -1.766 40.337 42.059 0.074 0.000 0.683 281 L HN 0.745 nan 8.230 nan 0.000 0.743 282 Y N 1.911 122.223 120.300 0.021 0.000 2.309 282 Y HA 0.481 5.031 4.550 0.000 0.000 0.327 282 Y C 0.803 176.709 175.900 0.010 0.000 1.172 282 Y CA -0.920 57.054 58.100 -0.209 0.000 1.280 282 Y CB 0.502 38.362 38.460 -1.000 0.000 1.234 282 Y HN 0.070 nan 8.280 nan 0.000 0.512 283 R N 3.863 124.460 120.500 0.160 0.000 2.280 283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 283 R C -1.695 174.668 176.300 0.104 0.000 1.080 283 R CA -0.643 55.550 56.100 0.155 0.000 1.002 283 R CB 0.271 30.598 30.300 0.045 0.000 1.136 283 R HN 0.578 nan 8.270 nan 0.000 0.509 284 Y N 2.960 123.363 120.300 0.173 0.000 2.531 284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 284 Y C 1.563 177.522 175.900 0.100 0.000 1.024 284 Y CA -0.188 58.027 58.100 0.193 0.000 1.306 284 Y CB 0.606 39.190 38.460 0.206 0.000 1.149 284 Y HN 0.440 nan 8.280 nan 0.000 0.527 285 L N 1.910 123.252 121.223 0.199 0.000 2.162 285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 285 L C 0.771 177.751 176.870 0.184 0.000 1.086 285 L CA 0.629 55.529 54.840 0.099 0.000 0.778 285 L CB -0.129 41.910 42.059 -0.034 0.000 0.928 285 L HN 0.623 nan 8.230 nan 0.000 0.446 286 S N -1.966 113.904 115.700 0.283 0.000 2.570 286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 286 S C -0.614 174.172 174.600 0.311 0.000 1.149 286 S CA -0.684 57.654 58.200 0.230 0.000 0.837 286 S CB 2.381 65.768 63.200 0.313 0.000 1.124 286 S HN -0.070 nan 8.310 nan 0.000 0.465 287 T N 1.982 116.630 114.554 0.157 0.000 2.886 287 T HA 0.612 4.962 4.350 0.000 0.000 0.292 287 T C -0.933 173.737 174.700 -0.050 0.000 1.012 287 T CA -0.422 61.718 62.100 0.067 0.000 0.982 287 T CB 0.884 69.831 68.868 0.130 0.000 1.018 287 T HN 0.660 nan 8.240 nan 0.000 0.451 288 I N 2.274 122.745 120.570 -0.164 0.000 2.465 288 I HA 0.709 4.879 4.170 0.000 0.000 0.291 288 I C -0.380 175.595 176.117 -0.237 0.000 1.014 288 I CA -0.979 60.279 61.300 -0.069 0.000 1.093 288 I CB 1.751 39.815 38.000 0.106 0.000 1.267 288 I HN 0.727 nan 8.210 nan 0.000 0.431 289 A N 6.371 129.114 122.820 -0.129 0.000 2.335 289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 289 A C -1.098 176.591 177.584 0.175 0.000 1.118 289 A CA -0.472 51.506 52.037 -0.098 0.000 0.757 289 A CB 1.378 20.210 19.000 -0.281 0.000 1.188 289 A HN 0.394 nan 8.150 nan 0.000 0.460 290 V N 3.309 123.353 119.914 0.218 0.000 2.370 290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 290 V C -0.660 175.651 176.094 0.361 0.000 1.023 290 V CA -0.389 62.086 62.300 0.292 0.000 0.857 290 V CB 1.208 33.170 31.823 0.232 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.319 125.386 119.950 0.196 0.000 2.451 291 F HA 0.367 4.894 4.527 0.000 0.000 0.356 291 F C 0.442 176.145 175.800 -0.162 0.000 1.178 291 F CA -1.851 56.176 58.000 0.045 0.000 1.210 291 F CB 0.176 39.221 39.000 0.075 0.000 1.504 291 F HN 0.607 nan 8.300 nan 0.000 0.598 292 D N 4.133 124.531 120.400 -0.002 0.000 2.435 292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 292 D C -0.066 175.909 176.300 -0.543 0.000 1.215 292 D CA 0.090 53.773 54.000 -0.528 0.000 0.947 292 D CB -0.314 40.425 40.800 -0.101 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.864 120.990 118.700 -0.958 0.000 3.178 293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 293 N C 0.739 175.954 175.510 -0.492 0.000 1.242 293 N CA 0.454 52.995 53.050 -0.848 0.000 1.192 293 N CB -0.463 37.328 38.487 -1.160 0.000 1.463 293 N HN 0.617 nan 8.380 nan 0.000 0.539 294 G N 0.785 109.393 108.800 -0.321 0.000 2.295 294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 294 G C 0.965 175.740 174.900 -0.208 0.000 1.055 294 G CA 0.512 45.490 45.100 -0.203 0.000 0.922 294 G HN 1.084 nan 8.290 nan 0.000 0.503 295 G N -2.337 106.296 108.800 -0.278 0.000 2.195 295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 295 G C 0.460 175.238 174.900 -0.203 0.000 0.984 295 G CA 0.681 45.687 45.100 -0.157 0.000 0.633 295 G HN 1.750 nan 8.290 nan 0.000 0.525 296 S N 0.116 115.564 115.700 -0.420 0.000 2.489 296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 296 S C -0.821 173.388 174.600 -0.653 0.000 1.151 296 S CA -0.336 57.665 58.200 -0.331 0.000 1.082 296 S CB 0.928 63.968 63.200 -0.267 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.919 122.767 119.950 -0.170 0.000 2.445 297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 297 F C 0.470 176.210 175.800 -0.100 0.000 1.125 297 F CA -0.853 57.056 58.000 -0.153 0.000 0.983 297 F CB 1.171 40.083 39.000 -0.147 0.000 1.198 297 F HN 0.390 nan 8.300 nan 0.000 0.436 298 N N 1.423 120.123 118.700 -0.001 0.000 2.430 298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 298 N C -0.488 175.090 175.510 0.114 0.000 1.130 298 N CA -0.707 52.364 53.050 0.034 0.000 0.894 298 N CB 2.198 40.670 38.487 -0.025 0.000 1.209 298 N HN 0.563 nan 8.380 nan 0.000 0.503 299 A N 0.522 123.405 122.820 0.105 0.000 3.037 299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 299 A C 1.330 179.024 177.584 0.183 0.000 1.723 299 A CA 0.279 52.397 52.037 0.134 0.000 1.413 299 A CB -1.394 17.663 19.000 0.096 0.000 1.112 299 A HN 0.906 nan 8.150 nan 0.000 0.606 300 G N 1.122 110.094 108.800 0.288 0.000 2.257 300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 300 G C 1.277 176.264 174.900 0.145 0.000 0.984 300 G CA 1.609 46.870 45.100 0.269 0.000 0.626 300 G HN 1.495 nan 8.290 nan 0.000 0.540 301 T N -0.744 113.876 114.554 0.110 0.000 3.007 301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 301 T C 1.507 176.238 174.700 0.051 0.000 1.107 301 T CA 1.795 63.935 62.100 0.067 0.000 1.118 301 T CB -0.196 68.700 68.868 0.046 0.000 0.889 301 T HN 0.605 nan 8.240 nan 0.000 0.506 302 D N 0.412 120.854 120.400 0.070 0.000 2.368 302 D HA 0.228 4.868 4.640 0.000 0.000 0.218 302 D C 0.216 176.600 176.300 0.139 0.000 1.112 302 D CA -0.468 53.580 54.000 0.081 0.000 0.834 302 D CB -0.275 40.535 40.800 0.016 0.000 0.953 302 D HN 0.471 nan 8.370 nan 0.000 0.505 303 I N 0.424 121.033 120.570 0.064 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.642 176.709 176.117 -0.083 0.000 1.040 303 I CA -0.881 60.384 61.300 -0.058 0.000 1.068 303 I CB 2.125 40.026 38.000 -0.165 0.000 1.251 303 I HN -0.271 nan 8.210 nan 0.000 0.424 304 N N 3.685 122.288 118.700 -0.163 0.000 2.197 304 N HA 0.014 4.754 4.740 0.000 0.000 0.184 304 N C -0.593 174.921 175.510 0.006 0.000 1.030 304 N CA 1.370 54.367 53.050 -0.087 0.000 0.851 304 N CB 0.287 38.680 38.487 -0.157 0.000 1.003 304 N HN 0.632 nan 8.380 nan 0.000 0.430 305 Y N -1.936 118.282 120.300 -0.137 0.000 2.713 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 305 Y C -1.781 173.936 175.900 -0.305 0.000 1.222 305 Y CA -1.428 56.572 58.100 -0.166 0.000 1.061 305 Y CB 0.476 38.881 38.460 -0.091 0.000 1.314 305 Y HN -0.277 nan 8.280 nan 0.000 0.453 306 L N 1.690 122.828 121.223 -0.142 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.095 176.633 176.870 -0.236 0.000 1.014 306 L CA -0.542 53.969 54.840 -0.548 0.000 0.820 306 L CB 2.205 43.428 42.059 -1.395 0.000 1.352 306 L HN 0.902 nan 8.230 nan 0.000 0.421 307 S N -0.179 115.296 115.700 -0.375 0.000 2.636 307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 307 S C -2.101 172.391 174.600 -0.180 0.000 1.147 307 S CA -0.629 57.548 58.200 -0.037 0.000 0.815 307 S CB 1.537 64.750 63.200 0.021 0.000 1.119 307 S HN 0.577 nan 8.310 nan 0.000 0.470 308 Q N 1.126 120.935 119.800 0.014 0.000 2.321 308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 308 Q C -1.018 175.002 176.000 0.034 0.000 1.032 308 Q CA -0.597 55.239 55.803 0.054 0.000 0.784 308 Q CB 2.353 31.176 28.738 0.141 0.000 1.264 308 Q HN 0.558 nan 8.270 nan 0.000 0.448 309 R N 1.020 121.542 120.500 0.036 0.000 2.686 309 R HA 0.548 4.888 4.340 0.000 0.000 0.283 309 R C -1.187 175.122 176.300 0.015 0.000 0.978 309 R CA -0.338 55.770 56.100 0.015 0.000 0.897 309 R CB 1.735 32.036 30.300 0.001 0.000 1.192 309 R HN 0.699 nan 8.270 nan 0.000 0.457 310 T N 0.762 115.316 114.554 0.000 0.000 2.794 310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 310 T C 0.244 174.938 174.700 -0.009 0.000 0.987 310 T CA -0.753 61.343 62.100 -0.007 0.000 0.993 310 T CB 1.672 70.531 68.868 -0.013 0.000 0.939 310 T HN 0.694 nan 8.240 nan 0.000 0.449 311 A N 2.510 125.324 122.820 -0.010 0.000 2.566 311 A HA 0.455 4.775 4.320 0.000 0.000 0.245 311 A C 1.463 179.040 177.584 -0.011 0.000 1.056 311 A CA 0.566 52.597 52.037 -0.010 0.000 0.757 311 A CB -1.951 17.043 19.000 -0.010 0.000 0.979 311 A HN 2.487 nan 8.150 nan 0.000 0.508 312 N N -1.031 117.663 118.700 -0.010 0.000 2.756 312 N HA 0.237 4.977 4.740 0.000 0.000 0.248 312 N C 0.325 175.829 175.510 -0.010 0.000 1.062 312 N CA 2.085 55.130 53.050 -0.010 0.000 0.696 312 N CB -2.244 36.237 38.487 -0.009 0.000 0.946 312 N HN 2.497 nan 8.380 nan 0.000 0.548 313 F N -1.942 118.001 119.950 -0.011 0.000 3.281 313 F HA 0.754 5.281 4.527 0.000 0.000 0.339 313 F C 1.329 177.121 175.800 -0.014 0.000 1.275 313 F CA 1.313 59.306 58.000 -0.012 0.000 0.843 313 F CB -0.831 38.163 39.000 -0.011 0.000 1.717 313 F HN 1.987 nan 8.300 nan 0.000 0.480 314 S N 0.176 115.867 115.700 -0.015 0.000 3.160 314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 314 S C -0.364 174.225 174.600 -0.017 0.000 2.861 314 S CA 1.514 59.703 58.200 -0.019 0.000 3.097 314 S CB -1.138 62.047 63.200 -0.025 0.000 0.331 314 S HN 1.121 nan 8.310 nan 0.000 1.767 315 D N 0.779 121.163 120.400 -0.026 0.000 2.302 315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 315 D C 1.218 177.508 176.300 -0.016 0.000 1.094 315 D CA 0.406 54.393 54.000 -0.021 0.000 0.897 315 D CB 1.046 41.822 40.800 -0.039 0.000 1.200 315 D HN 0.639 nan 8.370 nan 0.000 0.429 316 T N -1.215 113.337 114.554 -0.003 0.000 3.044 316 T HA 0.044 4.394 4.350 0.000 0.000 0.250 316 T C 0.692 175.391 174.700 -0.001 0.000 1.081 316 T CA -0.363 61.734 62.100 -0.005 0.000 1.040 316 T CB -0.058 68.808 68.868 -0.004 0.000 0.962 316 T HN 0.597 nan 8.240 nan 0.000 0.506 317 R N 0.279 120.791 120.500 0.020 0.000 2.747 317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 317 R C -0.949 175.421 176.300 0.118 0.000 1.438 317 R CA -0.652 55.472 56.100 0.041 0.000 1.334 317 R CB -0.336 29.964 30.300 0.001 0.000 1.523 317 R HN 0.084 nan 8.270 nan 0.000 0.741 318 K N 3.007 123.431 120.400 0.039 0.000 2.310 318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 318 K C -0.966 175.654 176.600 0.034 0.000 1.077 318 K CA -0.177 56.108 56.287 -0.004 0.000 0.922 318 K CB 0.521 32.907 32.500 -0.189 0.000 1.057 318 K HN 0.453 nan 8.250 nan 0.000 0.479 319 L N 3.325 124.656 121.223 0.180 0.000 2.388 319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 319 L C -0.423 176.580 176.870 0.221 0.000 0.998 319 L CA -1.368 53.598 54.840 0.209 0.000 0.817 319 L CB 2.049 44.306 42.059 0.330 0.000 1.338 319 L HN 0.745 nan 8.230 nan 0.000 0.414 320 D N 0.519 121.022 120.400 0.171 0.000 2.368 320 D HA 0.136 4.776 4.640 0.000 0.000 0.240 320 D C -2.111 174.301 176.300 0.188 0.000 1.169 320 D CA -1.151 52.943 54.000 0.157 0.000 0.906 320 D CB 0.621 41.493 40.800 0.120 0.000 1.187 320 D HN 0.194 nan 8.370 nan 0.000 0.435 321 P HA -0.200 nan 4.420 nan 0.000 0.216 321 P C 1.003 178.475 177.300 0.286 0.000 1.153 321 P CA 1.533 64.737 63.100 0.173 0.000 0.858 321 P CB 0.110 31.880 31.700 0.117 0.000 0.789 322 K N -1.199 119.330 120.400 0.214 0.000 2.097 322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 322 K C 1.953 178.678 176.600 0.208 0.000 1.050 322 K CA 1.602 58.009 56.287 0.200 0.000 0.938 322 K CB -0.703 31.880 32.500 0.138 0.000 0.718 322 K HN 0.157 nan 8.250 nan 0.000 0.442 323 T N 0.517 115.191 114.554 0.200 0.000 2.904 323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 323 T C 1.178 176.011 174.700 0.223 0.000 1.059 323 T CA 0.645 62.848 62.100 0.171 0.000 1.137 323 T CB -0.132 68.817 68.868 0.136 0.000 0.879 323 T HN 0.430 nan 8.240 nan 0.000 0.467 324 W N 2.152 123.522 121.300 0.117 0.000 2.381 324 W HA -0.063 4.597 4.660 0.000 0.000 0.301 324 W C 2.445 179.083 176.519 0.198 0.000 1.205 324 W CA 1.219 58.654 57.345 0.150 0.000 1.285 324 W CB -0.564 28.993 29.460 0.161 0.000 1.133 324 W HN 0.288 nan 8.180 nan 0.000 0.521 325 A N 0.882 123.996 122.820 0.490 0.000 1.972 325 A HA -0.058 4.262 4.320 0.000 0.000 0.219 325 A C 2.178 179.882 177.584 0.201 0.000 1.169 325 A CA 2.467 54.725 52.037 0.369 0.000 0.635 325 A CB -1.194 17.997 19.000 0.319 0.000 0.810 325 A HN 0.287 nan 8.150 nan 0.000 0.446 326 A N -0.738 122.174 122.820 0.153 0.000 1.902 326 A HA -0.195 4.125 4.320 0.000 0.000 0.217 326 A C 2.095 179.710 177.584 0.053 0.000 1.181 326 A CA 1.691 53.781 52.037 0.088 0.000 0.623 326 A CB -0.461 18.583 19.000 0.074 0.000 0.818 326 A HN 0.509 nan 8.150 nan 0.000 0.443 327 Q N -0.444 119.365 119.800 0.014 0.000 2.124 327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 327 Q C 2.115 178.131 176.000 0.027 0.000 0.977 327 Q CA 2.011 57.792 55.803 -0.036 0.000 0.850 327 Q CB -1.323 27.308 28.738 -0.178 0.000 0.901 327 Q HN 0.636 nan 8.270 nan 0.000 0.429 328 T N 1.240 115.848 114.554 0.090 0.000 2.821 328 T HA -0.073 4.277 4.350 0.000 0.000 0.267 328 T C 1.818 176.581 174.700 0.105 0.000 1.046 328 T CA 0.815 63.041 62.100 0.210 0.000 1.139 328 T CB -0.061 69.027 68.868 0.367 0.000 0.871 328 T HN 0.268 nan 8.240 nan 0.000 0.454 329 R N 0.728 121.269 120.500 0.069 0.000 2.159 329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 329 R C 2.445 178.749 176.300 0.006 0.000 1.131 329 R CA 0.798 56.909 56.100 0.018 0.000 0.982 329 R CB -0.085 30.231 30.300 0.025 0.000 0.868 329 R HN 0.242 nan 8.270 nan 0.000 0.453 330 R N 0.152 120.666 120.500 0.024 0.000 2.235 330 R HA 0.016 4.356 4.340 0.000 0.000 0.213 330 R C 1.851 178.165 176.300 0.023 0.000 1.059 330 R CA 0.695 56.805 56.100 0.017 0.000 0.997 330 R CB 0.031 30.343 30.300 0.019 0.000 0.884 330 R HN 0.170 nan 8.270 nan 0.000 0.462 331 R N 0.451 120.978 120.500 0.045 0.000 2.146 331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 331 R C 2.028 178.312 176.300 -0.028 0.000 1.049 331 R CA 0.772 56.906 56.100 0.056 0.000 1.029 331 R CB 0.030 30.443 30.300 0.188 0.000 0.949 331 R HN 0.313 nan 8.270 nan 0.000 0.471 332 I N -3.938 116.575 120.570 -0.095 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.481 176.503 176.117 -0.158 0.000 1.473 332 I CA 0.093 61.282 61.300 -0.185 0.000 1.124 332 I CB 0.892 38.648 38.000 -0.406 0.000 1.129 332 I HN -0.036 nan 8.210 nan 0.000 0.428 333 A N 0.250 123.011 122.820 -0.098 0.000 2.861 333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 333 A C 0.643 178.177 177.584 -0.084 0.000 1.351 333 A CA 1.686 53.678 52.037 -0.076 0.000 0.904 333 A CB -2.304 16.654 19.000 -0.070 0.000 1.076 333 A HN 0.816 nan 8.150 nan 0.000 0.729 334 T N -1.871 112.615 114.554 -0.114 0.000 2.654 334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 334 T C -2.142 172.479 174.700 -0.133 0.000 1.656 334 T CA 0.134 62.170 62.100 -0.106 0.000 0.971 334 T CB 0.926 69.723 68.868 -0.119 0.000 1.811 334 T HN 0.284 nan 8.240 nan 0.000 0.483 335 D N 0.609 120.950 120.400 -0.097 0.000 2.181 335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 335 D C -0.254 175.962 176.300 -0.140 0.000 1.020 335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 335 D CB 0.813 41.627 40.800 0.023 0.000 1.187 335 D HN 0.331 nan 8.370 nan 0.000 0.443 336 F N 0.634 120.517 119.950 -0.113 0.000 2.399 336 F HA 0.219 4.746 4.527 0.000 0.000 0.313 336 F C -1.330 174.362 175.800 -0.180 0.000 1.202 336 F CA -1.257 56.598 58.000 -0.241 0.000 1.192 336 F CB 0.037 38.790 39.000 -0.412 0.000 1.256 336 F HN 0.079 nan 8.300 nan 0.000 0.558 337 P HA -0.004 nan 4.420 nan 0.000 0.270 337 P C -1.197 176.128 177.300 0.042 0.000 1.227 337 P CA -0.268 62.889 63.100 0.094 0.000 0.788 337 P CB 0.327 32.177 31.700 0.250 0.000 0.926 338 K N 1.097 121.532 120.400 0.058 0.000 2.530 338 K HA 0.144 4.464 4.320 0.000 0.000 0.280 338 K C 1.283 177.940 176.600 0.095 0.000 1.004 338 K CA 1.234 57.556 56.287 0.059 0.000 1.071 338 K CB -0.730 31.825 32.500 0.093 0.000 0.876 338 K HN 0.857 nan 8.250 nan 0.000 0.487 339 G N 1.176 109.981 108.800 0.009 0.000 2.179 339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 339 G C 0.018 174.863 174.900 -0.092 0.000 0.977 339 G CA 0.040 45.209 45.100 0.115 0.000 0.641 339 G HN 0.428 nan 8.290 nan 0.000 0.533 340 V N 1.039 120.731 119.914 -0.370 0.000 2.370 340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 340 V C -0.300 175.422 176.094 -0.620 0.000 1.029 340 V CA -0.766 61.320 62.300 -0.356 0.000 0.870 340 V CB 0.816 32.409 31.823 -0.384 0.000 0.984 340 V HN 0.253 nan 8.190 nan 0.000 0.451 341 Y N 4.265 124.609 120.300 0.074 0.000 2.376 341 Y HA 0.604 5.154 4.550 0.000 0.000 0.340 341 Y C -0.485 175.600 175.900 0.309 0.000 0.965 341 Y CA -0.774 57.472 58.100 0.244 0.000 1.078 341 Y CB 1.745 40.291 38.460 0.144 0.000 1.193 341 Y HN 0.639 nan 8.280 nan 0.000 0.452 342 Y N 2.438 123.028 120.300 0.484 0.000 2.468 342 Y HA 0.682 5.232 4.550 0.000 0.000 0.342 342 Y C -1.128 175.056 175.900 0.473 0.000 1.021 342 Y CA -1.799 56.486 58.100 0.309 0.000 1.079 342 Y CB 1.701 40.259 38.460 0.164 0.000 1.226 342 Y HN 0.798 nan 8.280 nan 0.000 0.460 343 C N 6.544 125.559 119.300 -0.475 0.000 2.505 343 C HA 0.366 4.826 4.460 0.000 0.000 0.342 343 C C -1.389 173.189 174.990 -0.687 0.000 1.121 343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 343 C CB -0.024 27.889 27.740 0.288 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.975 124.059 120.400 -0.527 0.000 2.274 344 D HA 0.323 4.963 4.640 0.000 0.000 0.239 344 D C 0.036 176.293 176.300 -0.071 0.000 1.104 344 D CA 0.238 54.106 54.000 -0.221 0.000 0.840 344 D CB 0.790 41.599 40.800 0.016 0.000 1.100 344 D HN 0.709 nan 8.370 nan 0.000 0.477 345 N N 3.442 122.142 118.700 -0.000 0.000 2.451 345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 345 N C 1.083 176.615 175.510 0.037 0.000 1.410 345 N CA -0.160 52.902 53.050 0.019 0.000 0.884 345 N CB 0.710 39.216 38.487 0.032 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.476 121.008 120.500 0.053 0.000 2.081 346 R HA -0.042 4.298 4.340 0.000 0.000 0.235 346 R C 0.773 177.086 176.300 0.021 0.000 1.131 346 R CA 1.144 57.273 56.100 0.048 0.000 0.960 346 R CB 0.100 30.465 30.300 0.108 0.000 0.856 346 R HN 0.117 nan 8.270 nan 0.000 0.436 347 D N 0.389 120.805 120.400 0.027 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.182 176.489 176.300 0.010 0.000 0.965 347 D CA 1.252 55.262 54.000 0.017 0.000 0.852 347 D CB 0.241 41.052 40.800 0.017 0.000 0.947 347 D HN 0.115 nan 8.370 nan 0.000 0.494 348 K N 0.823 121.230 120.400 0.012 0.000 2.752 348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 348 K C -2.755 173.859 176.600 0.022 0.000 1.069 348 K CA -1.426 54.870 56.287 0.015 0.000 1.033 348 K CB 2.480 34.987 32.500 0.011 0.000 1.229 348 K HN -0.127 nan 8.250 nan 0.000 0.572 349 P HA -0.026 nan 4.420 nan 0.000 0.266 349 P C -0.095 177.256 177.300 0.085 0.000 1.195 349 P CA -0.197 62.938 63.100 0.058 0.000 0.768 349 P CB 0.462 32.191 31.700 0.049 0.000 0.838 350 I N 3.746 124.356 120.570 0.067 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.048 176.195 176.117 0.209 0.000 1.134 350 I CA 0.414 61.701 61.300 -0.022 0.000 1.410 350 I CB -1.161 36.580 38.000 -0.433 0.000 1.392 350 I HN 0.419 nan 8.210 nan 0.000 0.545 351 Y N 6.238 126.542 120.300 0.006 0.000 2.317 351 Y HA 0.158 4.708 4.550 0.000 0.000 0.329 351 Y C 1.095 177.000 175.900 0.009 0.000 1.101 351 Y CA -0.873 57.256 58.100 0.048 0.000 1.228 351 Y CB 1.344 39.834 38.460 0.050 0.000 1.123 351 Y HN 0.725 nan 8.280 nan 0.000 0.457 352 T N 1.361 115.785 114.554 -0.216 0.000 2.770 352 T HA 0.064 4.414 4.350 0.000 0.000 0.263 352 T C 1.945 176.457 174.700 -0.313 0.000 1.039 352 T CA 2.363 64.328 62.100 -0.225 0.000 1.142 352 T CB -0.623 68.141 68.868 -0.174 0.000 0.868 352 T HN 1.590 nan 8.240 nan 0.000 0.435 353 L N -2.135 118.800 121.223 -0.479 0.000 3.211 353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 353 L C 0.846 177.608 176.870 -0.181 0.000 0.707 353 L CA 2.510 57.123 54.840 -0.377 0.000 2.938 353 L CB -2.631 39.264 42.059 -0.273 0.000 0.825 353 L HN 1.425 nan 8.230 nan 0.000 0.704 354 Q N -1.850 117.867 119.800 -0.138 0.000 2.310 354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 354 Q C -0.495 175.485 176.000 -0.034 0.000 1.025 354 Q CA -0.278 55.492 55.803 -0.055 0.000 0.772 354 Q CB 0.851 29.566 28.738 -0.039 0.000 1.253 354 Q HN 1.701 nan 8.270 nan 0.000 0.450 355 Y N 1.555 121.801 120.300 -0.090 0.000 2.852 355 Y HA 0.240 4.790 4.550 0.000 0.000 0.343 355 Y C 1.608 177.472 175.900 -0.060 0.000 1.280 355 Y CA 2.274 60.325 58.100 -0.082 0.000 1.604 355 Y CB 0.142 38.550 38.460 -0.087 0.000 1.216 355 Y HN 1.374 nan 8.280 nan 0.000 0.541 356 G N 2.068 110.681 108.800 -0.311 0.000 2.157 356 G HA2 -0.429 3.531 3.960 0.000 0.000 0.248 356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 356 G C 0.801 175.666 174.900 -0.058 0.000 0.979 356 G CA 0.690 45.708 45.100 -0.136 0.000 0.650 356 G HN 1.080 nan 8.290 nan 0.000 0.529 357 N N -1.053 117.607 118.700 -0.067 0.000 2.364 357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 357 N C 0.987 176.477 175.510 -0.033 0.000 1.022 357 N CA 2.025 55.049 53.050 -0.045 0.000 0.883 357 N CB 0.152 38.603 38.487 -0.060 0.000 0.965 357 N HN 1.060 nan 8.380 nan 0.000 0.438 358 V N -1.052 118.846 119.914 -0.028 0.000 2.789 358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 358 V C 0.372 176.569 176.094 0.172 0.000 1.073 358 V CA -0.656 61.662 62.300 0.029 0.000 0.921 358 V CB 1.505 33.294 31.823 -0.058 0.000 1.009 358 V HN 0.526 nan 8.190 nan 0.000 0.426 359 G N 1.607 110.520 108.800 0.188 0.000 2.619 359 G HA2 0.673 4.633 3.960 0.000 0.000 0.296 359 G HA3 0.673 4.633 3.960 0.000 0.000 0.296 359 G C -1.940 173.105 174.900 0.242 0.000 1.334 359 G CA -0.638 44.562 45.100 0.166 0.000 0.934 359 G HN 0.487 nan 8.290 nan 0.000 0.476 360 F N 1.834 121.780 119.950 -0.007 0.000 2.410 360 F HA 0.637 5.164 4.527 0.000 0.000 0.349 360 F C -0.220 175.554 175.800 -0.044 0.000 1.117 360 F CA -0.512 57.511 58.000 0.040 0.000 1.104 360 F CB 1.651 40.614 39.000 -0.062 0.000 1.122 360 F HN 0.271 nan 8.300 nan 0.000 0.483 361 V N 6.543 126.148 119.914 -0.516 0.000 2.513 361 V HA 0.588 4.708 4.120 0.000 0.000 0.299 361 V C -0.811 175.031 176.094 -0.420 0.000 1.035 361 V CA -0.871 61.241 62.300 -0.314 0.000 0.889 361 V CB 1.611 33.338 31.823 -0.160 0.000 0.988 361 V HN 0.561 nan 8.190 nan 0.000 0.440 362 V N 3.933 123.710 119.914 -0.229 0.000 2.482 362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 362 V C -0.382 175.497 176.094 -0.359 0.000 1.026 362 V CA -0.633 61.466 62.300 -0.335 0.000 0.856 362 V CB 1.938 33.591 31.823 -0.283 0.000 1.001 362 V HN 0.896 nan 8.190 nan 0.000 0.424 363 N N 7.082 125.424 118.700 -0.597 0.000 2.546 363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 363 N C -2.728 172.488 175.510 -0.490 0.000 0.984 363 N CA -1.617 51.066 53.050 -0.612 0.000 0.935 363 N CB 2.499 40.305 38.487 -1.134 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.144 nan 4.420 nan 0.000 0.279 364 P C 0.200 177.427 177.300 -0.121 0.000 1.239 364 P CA -0.197 62.765 63.100 -0.230 0.000 0.789 364 P CB 2.087 33.644 31.700 -0.237 0.000 0.933 365 K N 1.627 122.001 120.400 -0.044 0.000 2.128 365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 365 K C 0.516 177.115 176.600 -0.002 0.000 1.050 365 K CA 1.037 57.309 56.287 -0.025 0.000 0.966 365 K CB 0.158 32.655 32.500 -0.006 0.000 0.759 365 K HN 0.646 nan 8.250 nan 0.000 0.454 366 T N -1.429 113.144 114.554 0.032 0.000 2.886 366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 366 T C -0.861 173.870 174.700 0.051 0.000 1.012 366 T CA -0.928 61.181 62.100 0.016 0.000 0.982 366 T CB 2.023 70.883 68.868 -0.013 0.000 1.018 366 T HN -0.181 nan 8.240 nan 0.000 0.451 367 V N 4.145 124.070 119.914 0.019 0.000 2.443 367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 367 V C -0.322 175.752 176.094 -0.033 0.000 1.021 367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 367 V CB 1.311 33.142 31.823 0.013 0.000 0.998 367 V HN 0.900 nan 8.190 nan 0.000 0.424 368 N N 2.556 121.208 118.700 -0.080 0.000 2.413 368 N HA 0.306 5.046 4.740 0.000 0.000 0.266 368 N C -0.021 175.445 175.510 -0.073 0.000 1.238 368 N CA -0.654 52.340 53.050 -0.092 0.000 0.972 368 N CB 0.519 38.920 38.487 -0.143 0.000 1.210 368 N HN 0.541 nan 8.380 nan 0.000 0.547 369 Q N 1.222 120.983 119.800 -0.064 0.000 2.337 369 Q HA 0.066 4.406 4.340 0.000 0.000 0.270 369 Q C -0.094 175.874 176.000 -0.054 0.000 1.002 369 Q CA 0.367 56.142 55.803 -0.048 0.000 0.888 369 Q CB 0.095 28.811 28.738 -0.037 0.000 1.222 369 Q HN 0.471 nan 8.270 nan 0.000 0.400 370 N N -1.133 117.544 118.700 -0.038 0.000 2.776 370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 370 N C -0.726 174.757 175.510 -0.044 0.000 1.111 370 N CA 0.991 54.022 53.050 -0.032 0.000 0.711 370 N CB -1.291 37.180 38.487 -0.027 0.000 1.065 370 N HN 0.676 nan 8.380 nan 0.000 0.556 371 A N 0.774 123.567 122.820 -0.046 0.000 2.351 371 A HA 0.700 5.020 4.320 0.000 0.000 0.257 371 A C 0.870 178.450 177.584 -0.007 0.000 1.087 371 A CA 0.180 52.205 52.037 -0.021 0.000 0.798 371 A CB 0.673 19.699 19.000 0.044 0.000 1.033 371 A HN 0.479 nan 8.150 nan 0.000 0.488 372 R N 0.549 121.080 120.500 0.051 0.000 2.709 372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 372 R C -2.141 174.221 176.300 0.104 0.000 1.038 372 R CA -0.928 55.186 56.100 0.023 0.000 0.872 372 R CB 0.786 31.121 30.300 0.058 0.000 1.259 372 R HN 0.452 nan 8.270 nan 0.000 0.473 373 L N 2.517 123.789 121.223 0.081 0.000 2.296 373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 373 L C -0.679 176.293 176.870 0.170 0.000 1.023 373 L CA -1.046 53.876 54.840 0.135 0.000 0.812 373 L CB 1.648 43.789 42.059 0.137 0.000 1.223 373 L HN 0.447 nan 8.230 nan 0.000 0.421 374 L N 4.768 126.118 121.223 0.212 0.000 2.262 374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 374 L C -0.100 176.874 176.870 0.173 0.000 1.035 374 L CA -0.284 54.714 54.840 0.263 0.000 0.820 374 L CB 1.129 43.465 42.059 0.461 0.000 1.204 374 L HN 0.487 nan 8.230 nan 0.000 0.424 375 M N 2.406 122.007 119.600 0.003 0.000 2.367 375 M HA 0.549 5.029 4.480 0.000 0.000 0.339 375 M C 0.377 176.387 176.300 -0.484 0.000 1.177 375 M CA -0.383 54.736 55.300 -0.301 0.000 1.068 375 M CB 1.451 33.828 32.600 -0.372 0.000 1.602 375 M HN 0.564 nan 8.290 nan 0.000 0.457 376 G N 2.445 110.768 108.800 -0.795 0.000 2.687 376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 376 G C -2.034 172.396 174.900 -0.783 0.000 1.416 376 G CA -0.285 44.135 45.100 -1.134 0.000 1.005 376 G HN 0.581 nan 8.290 nan 0.000 0.509 377 Y N 0.196 120.498 120.300 0.003 0.000 2.499 377 Y HA 0.569 5.119 4.550 0.000 0.000 0.347 377 Y C 0.286 176.420 175.900 0.389 0.000 0.987 377 Y CA -0.910 57.399 58.100 0.347 0.000 1.044 377 Y CB 2.737 41.525 38.460 0.545 0.000 1.245 377 Y HN 0.420 nan 8.280 nan 0.000 0.461 378 E N 2.362 122.870 120.200 0.514 0.000 2.176 378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 378 E C -1.726 175.017 176.600 0.239 0.000 0.893 378 E CA -0.758 55.784 56.400 0.238 0.000 0.761 378 E CB 1.691 31.564 29.700 0.289 0.000 1.133 378 E HN 0.560 nan 8.360 nan 0.000 0.409 379 Y N 0.853 121.138 120.300 -0.025 0.000 2.670 379 Y HA 0.587 5.137 4.550 0.000 0.000 0.334 379 Y C -1.705 174.130 175.900 -0.108 0.000 1.185 379 Y CA -1.446 56.546 58.100 -0.180 0.000 1.053 379 Y CB 1.016 39.218 38.460 -0.430 0.000 1.298 379 Y HN 0.307 nan 8.280 nan 0.000 0.459 380 F N 0.656 120.704 119.950 0.163 0.000 2.522 380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 380 F C 0.120 175.972 175.800 0.086 0.000 1.077 380 F CA -0.944 57.101 58.000 0.074 0.000 0.944 380 F CB 2.561 41.556 39.000 -0.008 0.000 1.175 380 F HN 0.722 nan 8.300 nan 0.000 0.468 381 T N 1.123 115.822 114.554 0.242 0.000 2.957 381 T HA 0.277 4.627 4.350 0.000 0.000 0.336 381 T C -1.060 173.689 174.700 0.083 0.000 1.462 381 T CA -0.779 61.411 62.100 0.150 0.000 1.073 381 T CB 1.213 70.127 68.868 0.077 0.000 1.319 381 T HN 0.695 nan 8.240 nan 0.000 0.485 382 S N 3.252 119.000 115.700 0.080 0.000 2.576 382 S HA 0.354 4.824 4.470 0.000 0.000 0.276 382 S C 1.257 175.883 174.600 0.044 0.000 1.339 382 S CA -0.567 57.658 58.200 0.041 0.000 1.039 382 S CB 0.942 64.168 63.200 0.043 0.000 0.902 382 S HN 0.805 nan 8.310 nan 0.000 0.516 383 R N 1.629 122.142 120.500 0.022 0.000 2.193 383 R HA 0.044 4.384 4.340 0.000 0.000 0.229 383 R C 1.639 177.963 176.300 0.039 0.000 1.110 383 R CA 1.039 57.151 56.100 0.021 0.000 0.988 383 R CB -1.758 28.554 30.300 0.021 0.000 0.871 383 R HN 1.083 nan 8.270 nan 0.000 0.458 384 T N -0.557 114.023 114.554 0.043 0.000 0.543 384 T HA -0.185 4.165 4.350 0.000 0.000 0.774 384 T C 0.284 175.007 174.700 0.039 0.000 0.992 384 T CA 1.747 63.874 62.100 0.046 0.000 4.076 384 T CB -0.835 68.069 68.868 0.060 0.000 2.302 384 T HN 0.572 nan 8.240 nan 0.000 0.398 385 E N 0.000 120.223 120.200 0.038 0.000 2.725 385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440