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 2iv0_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQYEKVKPPE NGEKIRYENG KLIVPDNPII PYFEGDGIGK DVVPAAIRVL DATA SEQUENCE DAAADKIGKE VVWFQVYAGE DAYKLYGNYL PDDTLNAIKE FRVALKGPLT DATA SEQUENCE TPVGGGYRSL NVTIRQVLDL YANVRPVYYL KGVPSPIKHP EKVNFVIFRE DATA SEQUENCE NTEDVYAGIE WPRGSEEALK LIRFLKNEFG VTIREDSGIG IKPISEFATK DATA SEQUENCE RLVRMAIRYA IENNRKSVTL VHKGNIMKYT EGAFRDWGYE VAKQEFGEYC DATA SEQUENCE ITEDELWDKY GGKQPEGKIV VKDRIADNMF QQILTRTDEY DVIALPNLNG DATA SEQUENCE DYLSDAAAAL IGGLGIAPGS NIGDGIGVFE PVHGSAPKYA GQNKVNPTAE DATA SEQUENCE ILTGALMFEY IGWKDASEMI KKAVEMTISS GIVTYDIHRH MGGTKVGTRE DATA SEQUENCE FAEAVVENLQ SL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.194 176.300 -0.177 0.000 1.140 1 M CA 0.000 55.211 55.300 -0.149 0.000 0.988 1 M CB 0.000 32.393 32.600 -0.345 0.000 1.302 2 Q N 2.127 121.790 119.800 -0.228 0.000 2.322 2 Q HA 0.563 4.915 4.340 0.021 0.000 0.256 2 Q C -2.018 173.852 176.000 -0.216 0.000 0.960 2 Q CA -0.012 55.720 55.803 -0.120 0.000 0.934 2 Q CB 0.378 nan 28.738 nan 0.000 1.200 2 Q HN 0.617 nan 8.270 nan 0.000 0.435 3 Y N 1.077 121.454 120.300 0.128 0.000 2.341 3 Y HA 0.228 4.790 4.550 0.021 0.000 0.337 3 Y C 1.327 177.322 175.900 0.158 0.000 1.014 3 Y CA -0.744 57.463 58.100 0.178 0.000 1.111 3 Y CB 2.154 40.763 38.460 0.249 0.000 1.194 3 Y HN 0.879 nan 8.280 nan 0.000 0.462 4 E N 2.177 122.567 120.200 0.316 0.000 2.004 4 E HA -0.102 4.261 4.350 0.021 0.000 0.193 4 E C 0.484 177.200 176.600 0.194 0.000 0.985 4 E CA 1.048 57.583 56.400 0.226 0.000 0.832 4 E CB 0.153 29.992 29.700 0.232 0.000 0.787 4 E HN 0.530 nan 8.360 nan 0.000 0.466 5 K N -0.369 120.156 120.400 0.207 0.000 2.576 5 K HA 0.302 4.635 4.320 0.021 0.000 0.209 5 K C -0.509 176.189 176.600 0.164 0.000 1.049 5 K CA -0.190 56.127 56.287 0.049 0.000 1.140 5 K CB 1.483 33.791 32.500 -0.319 0.000 0.871 5 K HN 0.106 nan 8.250 nan 0.000 0.479 6 V N -1.052 119.029 119.914 0.278 0.000 2.971 6 V HA 0.593 4.726 4.120 0.021 0.000 0.281 6 V C -1.306 174.968 176.094 0.300 0.000 1.470 6 V CA -1.145 61.341 62.300 0.310 0.000 0.966 6 V CB 1.356 nan 31.823 nan 0.000 1.156 6 V HN -0.027 nan 8.190 nan 0.000 0.441 7 K N 4.695 125.193 120.400 0.162 0.000 2.203 7 K HA 0.977 5.310 4.320 0.021 0.000 0.251 7 K C -2.664 173.674 176.600 -0.436 0.000 0.944 7 K CA -1.473 54.789 56.287 -0.042 0.000 0.829 7 K CB 1.369 nan 32.500 nan 0.000 1.125 7 K HN 0.830 nan 8.250 nan 0.000 0.430 8 P HA 0.166 nan 4.420 nan 0.000 0.271 8 P C -2.386 174.499 177.300 -0.693 0.000 1.233 8 P CA -0.633 61.624 63.100 -1.405 0.000 0.795 8 P CB -0.243 31.027 31.700 -0.717 0.000 0.936 9 P HA 0.171 nan 4.420 nan 0.000 0.294 9 P C 0.477 177.679 177.300 -0.163 0.000 1.294 9 P CA -0.335 62.609 63.100 -0.260 0.000 0.827 9 P CB 0.746 32.338 31.700 -0.180 0.000 0.992 10 E N 2.591 122.735 120.200 -0.093 0.000 2.267 10 E HA -0.234 4.129 4.350 0.021 0.000 0.197 10 E C 0.623 177.200 176.600 -0.038 0.000 0.998 10 E CA 0.933 57.303 56.400 -0.050 0.000 0.830 10 E CB 0.022 29.706 29.700 -0.027 0.000 0.751 10 E HN 0.429 nan 8.360 nan 0.000 0.491 11 N N -0.139 118.533 118.700 -0.047 0.000 2.270 11 N HA 0.024 4.776 4.740 0.021 0.000 0.198 11 N C 0.207 175.695 175.510 -0.038 0.000 1.117 11 N CA 0.178 53.210 53.050 -0.031 0.000 0.845 11 N CB 0.508 38.983 38.487 -0.020 0.000 0.980 11 N HN 0.021 nan 8.380 nan 0.000 0.486 12 G N -0.327 108.440 108.800 -0.056 0.000 2.667 12 G HA2 0.449 4.422 3.960 0.021 0.000 0.310 12 G HA3 0.449 4.422 3.960 0.021 0.000 0.310 12 G C -0.986 173.909 174.900 -0.008 0.000 1.259 12 G CA -0.332 44.734 45.100 -0.056 0.000 1.019 12 G HN 0.128 nan 8.290 nan 0.000 0.496 13 E N 0.387 120.594 120.200 0.012 0.000 2.256 13 E HA 0.213 4.576 4.350 0.021 0.000 0.268 13 E C -0.590 176.083 176.600 0.121 0.000 0.877 13 E CA -0.649 55.791 56.400 0.065 0.000 0.757 13 E CB 2.679 32.409 29.700 0.051 0.000 1.183 13 E HN 0.317 nan 8.360 nan 0.000 0.418 14 K N 1.790 122.313 120.400 0.205 0.000 2.414 14 K HA 0.083 4.416 4.320 0.021 0.000 0.272 14 K C 0.589 177.297 176.600 0.179 0.000 0.993 14 K CA -0.054 56.409 56.287 0.293 0.000 0.964 14 K CB 0.284 32.920 32.500 0.226 0.000 0.925 14 K HN 0.417 nan 8.250 nan 0.000 0.487 15 I N -0.230 120.452 120.570 0.187 0.000 2.532 15 I HA 0.277 4.459 4.170 0.021 0.000 0.292 15 I C -0.130 176.062 176.117 0.126 0.000 1.014 15 I CA -0.056 61.315 61.300 0.118 0.000 1.340 15 I CB 1.019 39.067 38.000 0.081 0.000 1.422 15 I HN 0.390 nan 8.210 nan 0.000 0.528 16 R N 3.627 124.193 120.500 0.110 0.000 2.919 16 R HA 0.472 4.825 4.340 0.021 0.000 0.260 16 R C -1.703 174.714 176.300 0.196 0.000 1.067 16 R CA -1.023 55.153 56.100 0.127 0.000 1.003 16 R CB 1.975 32.325 30.300 0.084 0.000 1.192 16 R HN 0.766 nan 8.270 nan 0.000 0.488 17 Y N 1.623 121.941 120.300 0.030 0.000 2.475 17 Y HA 0.214 4.777 4.550 0.021 0.000 0.343 17 Y C -1.306 174.612 175.900 0.030 0.000 1.068 17 Y CA -0.681 57.438 58.100 0.031 0.000 1.307 17 Y CB 0.799 39.288 38.460 0.049 0.000 1.097 17 Y HN 0.485 nan 8.280 nan 0.000 0.530 18 E N 3.662 123.693 120.200 -0.281 0.000 2.207 18 E HA 0.406 4.768 4.350 0.021 0.000 0.270 18 E C -0.158 176.232 176.600 -0.349 0.000 0.927 18 E CA -0.655 55.562 56.400 -0.305 0.000 0.799 18 E CB 2.160 31.783 29.700 -0.128 0.000 1.172 18 E HN 0.827 nan 8.360 nan 0.000 0.404 19 N N 0.736 119.257 118.700 -0.299 0.000 2.858 19 N HA -0.299 4.454 4.740 0.021 0.000 0.221 19 N C 0.817 176.176 175.510 -0.252 0.000 0.175 19 N CA 2.448 55.376 53.050 -0.205 0.000 4.001 19 N CB -1.178 37.243 38.487 -0.109 0.000 0.946 19 N HN 0.760 nan 8.380 nan 0.000 0.234 20 G N -0.775 107.847 108.800 -0.297 0.000 4.362 20 G HA2 0.016 3.989 3.960 0.021 0.000 0.220 20 G HA3 0.016 3.989 3.960 0.021 0.000 0.220 20 G C -0.843 174.208 174.900 0.253 0.000 0.795 20 G CA -0.151 44.983 45.100 0.057 0.000 0.920 20 G HN 0.255 nan 8.290 nan 0.000 0.715 21 K N 0.506 120.947 120.400 0.069 0.000 2.156 21 K HA 0.668 5.001 4.320 0.021 0.000 0.271 21 K C -1.078 175.640 176.600 0.196 0.000 0.995 21 K CA -0.799 55.556 56.287 0.113 0.000 0.890 21 K CB 2.574 35.094 32.500 0.033 0.000 1.073 21 K HN 0.034 nan 8.250 nan 0.000 0.454 22 L N 4.590 125.915 121.223 0.170 0.000 2.265 22 L HA 0.353 4.706 4.340 0.021 0.000 0.289 22 L C -0.896 176.007 176.870 0.055 0.000 1.033 22 L CA -0.233 54.696 54.840 0.148 0.000 0.814 22 L CB 0.610 42.653 42.059 -0.025 0.000 1.203 22 L HN 0.516 nan 8.230 nan 0.000 0.423 23 I N 5.949 126.563 120.570 0.073 0.000 2.301 23 I HA 0.284 4.467 4.170 0.021 0.000 0.292 23 I C -0.525 175.614 176.117 0.037 0.000 1.046 23 I CA -0.556 60.771 61.300 0.044 0.000 1.282 23 I CB 1.010 39.037 38.000 0.045 0.000 1.409 23 I HN 0.194 nan 8.210 nan 0.000 0.484 24 V N 8.209 128.135 119.914 0.021 0.000 2.384 24 V HA 0.342 4.475 4.120 0.021 0.000 0.287 24 V C -1.627 174.510 176.094 0.071 0.000 1.020 24 V CA -1.349 60.959 62.300 0.014 0.000 0.850 24 V CB 1.414 33.197 31.823 -0.067 0.000 0.987 24 V HN 0.616 nan 8.190 nan 0.000 0.436 25 P HA 0.153 nan 4.420 nan 0.000 0.286 25 P C 0.370 177.772 177.300 0.170 0.000 1.278 25 P CA -0.162 62.997 63.100 0.098 0.000 0.785 25 P CB 0.668 32.415 31.700 0.078 0.000 1.269 26 D N -1.582 118.883 120.400 0.108 0.000 2.388 26 D HA -0.009 4.644 4.640 0.021 0.000 0.208 26 D C 0.060 176.400 176.300 0.066 0.000 1.035 26 D CA 0.622 54.657 54.000 0.060 0.000 0.875 26 D CB 0.050 40.832 40.800 -0.029 0.000 0.984 26 D HN 0.420 nan 8.370 nan 0.000 0.508 27 N N 1.027 119.768 118.700 0.069 0.000 2.723 27 N HA 0.163 4.916 4.740 0.021 0.000 0.290 27 N C -3.015 172.508 175.510 0.022 0.000 1.882 27 N CA -1.413 51.659 53.050 0.036 0.000 0.851 27 N CB 0.999 39.483 38.487 -0.004 0.000 1.234 27 N HN -0.087 nan 8.380 nan 0.000 0.491 28 P HA 0.159 nan 4.420 nan 0.000 0.276 28 P C 0.399 177.638 177.300 -0.103 0.000 1.230 28 P CA -0.464 62.625 63.100 -0.018 0.000 0.776 28 P CB 1.134 32.794 31.700 -0.067 0.000 0.888 29 I N 3.931 124.436 120.570 -0.109 0.000 2.396 29 I HA 0.362 4.545 4.170 0.021 0.000 0.289 29 I C -0.078 175.919 176.117 -0.200 0.000 1.056 29 I CA -0.399 60.755 61.300 -0.245 0.000 1.365 29 I CB -0.173 37.549 38.000 -0.463 0.000 1.407 29 I HN 0.261 nan 8.210 nan 0.000 0.509 30 I N 6.731 127.196 120.570 -0.176 0.000 2.447 30 I HA 0.711 4.894 4.170 0.021 0.000 0.287 30 I C -2.745 173.475 176.117 0.173 0.000 1.023 30 I CA -2.308 58.976 61.300 -0.026 0.000 1.083 30 I CB 1.958 39.894 38.000 -0.107 0.000 1.245 30 I HN 0.370 nan 8.210 nan 0.000 0.434 31 P HA 0.307 nan 4.420 nan 0.000 0.274 31 P C -1.638 175.841 177.300 0.300 0.000 1.246 31 P CA 0.204 63.420 63.100 0.193 0.000 0.795 31 P CB 0.594 32.343 31.700 0.082 0.000 1.006 32 Y N -0.669 119.658 120.300 0.045 0.000 2.604 32 Y HA 0.719 5.282 4.550 0.021 0.000 0.331 32 Y C -1.876 173.953 175.900 -0.117 0.000 1.158 32 Y CA -1.678 56.369 58.100 -0.089 0.000 1.056 32 Y CB 0.823 39.268 38.460 -0.025 0.000 1.330 32 Y HN 0.363 nan 8.280 nan 0.000 0.457 33 F N -0.201 119.684 119.950 -0.109 0.000 2.578 33 F HA 0.681 5.221 4.527 0.021 0.000 0.311 33 F C 0.369 176.184 175.800 0.025 0.000 1.094 33 F CA -1.184 56.679 58.000 -0.229 0.000 0.923 33 F CB 2.024 40.898 39.000 -0.211 0.000 1.230 33 F HN 0.660 nan 8.300 nan 0.000 0.450 34 E N 1.709 122.035 120.200 0.210 0.000 2.072 34 E HA 0.233 4.596 4.350 0.021 0.000 0.191 34 E C 1.411 178.147 176.600 0.226 0.000 0.985 34 E CA 1.367 57.880 56.400 0.189 0.000 0.801 34 E CB -0.253 29.547 29.700 0.167 0.000 0.750 34 E HN 1.087 nan 8.360 nan 0.000 0.452 35 G N 0.938 109.941 108.800 0.337 0.000 2.498 35 G HA2 -0.222 3.751 3.960 0.021 0.000 0.245 35 G HA3 -0.222 3.751 3.960 0.021 0.000 0.245 35 G C -0.766 174.254 174.900 0.200 0.000 1.204 35 G CA -0.059 45.235 45.100 0.323 0.000 0.933 35 G HN 0.192 nan 8.290 nan 0.000 0.574 36 D N 1.199 121.695 120.400 0.160 0.000 2.272 36 D HA 0.538 5.191 4.640 0.021 0.000 0.247 36 D C 1.412 177.792 176.300 0.133 0.000 0.990 36 D CA 1.001 55.076 54.000 0.125 0.000 0.931 36 D CB 0.844 41.691 40.800 0.080 0.000 1.195 36 D HN 1.523 nan 8.370 nan 0.000 0.477 37 G N 1.169 110.055 108.800 0.143 0.000 2.699 37 G HA2 -0.400 3.573 3.960 0.021 0.000 0.351 37 G HA3 -0.400 3.573 3.960 0.021 0.000 0.351 37 G C 1.370 176.446 174.900 0.294 0.000 1.191 37 G CA 0.798 46.041 45.100 0.237 0.000 0.953 37 G HN 0.601 nan 8.290 nan 0.000 0.557 38 I N 2.470 123.215 120.570 0.291 0.000 2.502 38 I HA -0.142 4.041 4.170 0.021 0.000 0.258 38 I C 2.914 179.051 176.117 0.034 0.000 1.172 38 I CA 1.578 62.942 61.300 0.106 0.000 1.430 38 I CB -0.466 37.599 38.000 0.107 0.000 1.086 38 I HN 0.527 nan 8.210 nan 0.000 0.440 39 G N 0.189 109.043 108.800 0.090 0.000 2.422 39 G HA2 -0.209 3.764 3.960 0.021 0.000 0.218 39 G HA3 -0.209 3.764 3.960 0.021 0.000 0.218 39 G C 1.688 176.616 174.900 0.046 0.000 1.140 39 G CA 0.257 45.406 45.100 0.080 0.000 0.775 39 G HN 0.278 nan 8.290 nan 0.000 0.545 40 K N 0.243 120.671 120.400 0.046 0.000 2.211 40 K HA -0.088 4.244 4.320 0.021 0.000 0.204 40 K C 1.615 178.197 176.600 -0.030 0.000 1.047 40 K CA 1.406 57.710 56.287 0.029 0.000 0.935 40 K CB 0.013 32.537 32.500 0.039 0.000 0.728 40 K HN 0.250 nan 8.250 nan 0.000 0.452 41 D N -0.536 119.816 120.400 -0.079 0.000 2.414 41 D HA -0.087 4.566 4.640 0.021 0.000 0.237 41 D C 1.950 178.201 176.300 -0.082 0.000 0.975 41 D CA 0.877 54.806 54.000 -0.117 0.000 0.917 41 D CB -0.172 40.494 40.800 -0.223 0.000 1.061 41 D HN 0.065 nan 8.370 nan 0.000 0.480 42 V N -0.474 119.405 119.914 -0.058 0.000 2.488 42 V HA -0.082 4.051 4.120 0.021 0.000 0.246 42 V C 2.207 178.264 176.094 -0.061 0.000 1.046 42 V CA 0.873 63.153 62.300 -0.032 0.000 1.053 42 V CB -0.821 31.019 31.823 0.029 0.000 0.679 42 V HN -0.021 nan 8.190 nan 0.000 0.458 43 V N 0.798 120.668 119.914 -0.073 0.000 2.270 43 V HA -0.078 4.055 4.120 0.021 0.000 0.245 43 V C 0.576 176.518 176.094 -0.252 0.000 1.043 43 V CA 2.682 64.890 62.300 -0.153 0.000 1.014 43 V CB -2.029 29.727 31.823 -0.112 0.000 0.645 43 V HN 0.466 nan 8.190 nan 0.000 0.447 44 P HA -0.270 nan 4.420 nan 0.000 0.217 44 P C 1.724 178.903 177.300 -0.202 0.000 1.158 44 P CA 2.479 65.448 63.100 -0.218 0.000 0.887 44 P CB -0.198 31.432 31.700 -0.117 0.000 0.792 45 A N -0.232 122.510 122.820 -0.130 0.000 1.883 45 A HA -0.178 4.155 4.320 0.021 0.000 0.217 45 A C 2.369 179.891 177.584 -0.104 0.000 1.186 45 A CA 2.488 54.478 52.037 -0.079 0.000 0.624 45 A CB -1.667 17.326 19.000 -0.011 0.000 0.822 45 A HN 0.214 nan 8.150 nan 0.000 0.444 46 A N -0.128 122.607 122.820 -0.141 0.000 1.908 46 A HA -0.107 4.226 4.320 0.021 0.000 0.218 46 A C 2.132 179.579 177.584 -0.228 0.000 1.181 46 A CA 1.556 53.496 52.037 -0.161 0.000 0.627 46 A CB -0.657 18.236 19.000 -0.178 0.000 0.818 46 A HN 0.529 nan 8.150 nan 0.000 0.445 47 I N -1.072 119.262 120.570 -0.394 0.000 2.099 47 I HA -0.316 3.866 4.170 0.021 0.000 0.239 47 I C 2.778 178.773 176.117 -0.203 0.000 1.066 47 I CA 1.812 62.790 61.300 -0.537 0.000 1.324 47 I CB -0.439 36.989 38.000 -0.954 0.000 1.037 47 I HN 0.287 nan 8.210 nan 0.000 0.401 48 R N 0.158 120.559 120.500 -0.165 0.000 2.117 48 R HA -0.159 4.193 4.340 0.021 0.000 0.243 48 R C 2.230 178.518 176.300 -0.020 0.000 1.143 48 R CA 1.413 57.473 56.100 -0.065 0.000 0.968 48 R CB -0.354 29.907 30.300 -0.064 0.000 0.863 48 R HN 0.258 nan 8.270 nan 0.000 0.444 49 V N 0.931 120.821 119.914 -0.039 0.000 2.323 49 V HA -0.186 3.947 4.120 0.021 0.000 0.244 49 V C 2.193 178.299 176.094 0.021 0.000 1.041 49 V CA 1.519 63.806 62.300 -0.022 0.000 1.025 49 V CB -0.352 31.445 31.823 -0.043 0.000 0.656 49 V HN 0.282 nan 8.190 nan 0.000 0.451 50 L N -0.310 120.926 121.223 0.021 0.000 2.046 50 L HA -0.169 4.184 4.340 0.021 0.000 0.208 50 L C 2.376 179.440 176.870 0.323 0.000 1.077 50 L CA 1.484 56.396 54.840 0.120 0.000 0.747 50 L CB -0.922 41.180 42.059 0.071 0.000 0.896 50 L HN 0.307 nan 8.230 nan 0.000 0.432 51 D N 0.788 121.358 120.400 0.282 0.000 2.127 51 D HA -0.229 4.424 4.640 0.021 0.000 0.190 51 D C 2.223 178.622 176.300 0.166 0.000 1.000 51 D CA 1.889 56.044 54.000 0.259 0.000 0.839 51 D CB -0.116 40.799 40.800 0.191 0.000 0.955 51 D HN 0.321 nan 8.370 nan 0.000 0.446 52 A N 0.331 123.216 122.820 0.108 0.000 1.969 52 A HA 0.034 4.367 4.320 0.021 0.000 0.218 52 A C 2.208 179.838 177.584 0.077 0.000 1.169 52 A CA 2.055 54.132 52.037 0.066 0.000 0.635 52 A CB -0.507 18.511 19.000 0.030 0.000 0.810 52 A HN 0.250 nan 8.150 nan 0.000 0.445 53 A N -0.414 122.488 122.820 0.137 0.000 1.970 53 A HA 0.363 4.695 4.320 0.021 0.000 0.216 53 A C 2.382 180.074 177.584 0.180 0.000 1.170 53 A CA 1.491 53.632 52.037 0.173 0.000 0.645 53 A CB -0.745 18.400 19.000 0.242 0.000 0.816 53 A HN 0.824 nan 8.150 nan 0.000 0.447 54 A N 0.553 123.506 122.820 0.222 0.000 1.828 54 A HA -0.182 4.151 4.320 0.021 0.000 0.215 54 A C 1.625 179.141 177.584 -0.114 0.000 1.203 54 A CA 1.556 53.589 52.037 -0.006 0.000 0.614 54 A CB -0.804 18.248 19.000 0.087 0.000 0.844 54 A HN 0.459 nan 8.150 nan 0.000 0.445 55 D N -0.858 119.520 120.400 -0.036 0.000 2.411 55 D HA -0.103 4.550 4.640 0.021 0.000 0.226 55 D C 1.560 177.826 176.300 -0.058 0.000 0.988 55 D CA 1.142 55.110 54.000 -0.054 0.000 0.938 55 D CB 0.072 40.865 40.800 -0.012 0.000 0.883 55 D HN 0.346 nan 8.370 nan 0.000 0.525 56 K N 0.449 120.818 120.400 -0.051 0.000 2.211 56 K HA 0.001 4.334 4.320 0.021 0.000 0.201 56 K C 0.995 177.544 176.600 -0.085 0.000 1.052 56 K CA 0.281 56.539 56.287 -0.049 0.000 0.973 56 K CB 0.278 32.767 32.500 -0.018 0.000 0.766 56 K HN -0.056 nan 8.250 nan 0.000 0.466 57 I N 0.841 121.326 120.570 -0.141 0.000 3.517 57 I HA 0.328 4.510 4.170 0.021 0.000 0.346 57 I C 0.014 175.980 176.117 -0.251 0.000 1.510 57 I CA -0.785 60.404 61.300 -0.186 0.000 1.090 57 I CB -0.340 37.548 38.000 -0.187 0.000 1.506 57 I HN 0.405 nan 8.210 nan 0.000 0.477 58 G N 1.962 110.642 108.800 -0.200 0.000 2.273 58 G HA2 -0.280 3.693 3.960 0.021 0.000 0.280 58 G HA3 -0.280 3.693 3.960 0.021 0.000 0.280 58 G C 0.424 175.171 174.900 -0.255 0.000 1.047 58 G CA 0.478 45.465 45.100 -0.188 0.000 0.869 58 G HN 0.462 nan 8.290 nan 0.000 0.502 59 K N -1.021 119.173 120.400 -0.343 0.000 2.372 59 K HA 0.746 5.079 4.320 0.021 0.000 0.251 59 K C -0.520 175.910 176.600 -0.284 0.000 1.055 59 K CA -0.956 55.076 56.287 -0.424 0.000 0.879 59 K CB 1.958 33.904 32.500 -0.923 0.000 1.384 59 K HN 0.184 nan 8.250 nan 0.000 0.465 60 E N 0.355 120.439 120.200 -0.192 0.000 2.366 60 E HA 0.322 4.685 4.350 0.021 0.000 0.278 60 E C -1.630 174.967 176.600 -0.005 0.000 0.923 60 E CA -0.686 55.674 56.400 -0.067 0.000 0.761 60 E CB 2.683 32.356 29.700 -0.044 0.000 1.231 60 E HN 0.120 nan 8.360 nan 0.000 0.443 61 V N 2.271 122.162 119.914 -0.038 0.000 2.547 61 V HA 0.412 4.545 4.120 0.021 0.000 0.299 61 V C -0.609 175.257 176.094 -0.379 0.000 1.040 61 V CA -0.769 61.377 62.300 -0.256 0.000 0.913 61 V CB 1.768 33.294 31.823 -0.496 0.000 0.992 61 V HN 0.446 nan 8.190 nan 0.000 0.449 62 V N 3.570 123.265 119.914 -0.366 0.000 2.313 62 V HA 0.337 4.470 4.120 0.021 0.000 0.278 62 V C -0.657 175.322 176.094 -0.192 0.000 1.017 62 V CA -0.768 61.408 62.300 -0.207 0.000 0.823 62 V CB 0.721 32.477 31.823 -0.112 0.000 1.010 62 V HN 0.875 nan 8.190 nan 0.000 0.443 63 W N 4.459 125.826 121.300 0.111 0.000 2.238 63 W HA 0.470 5.143 4.660 0.021 0.000 0.321 63 W C -0.141 176.543 176.519 0.275 0.000 1.293 63 W CA -0.399 57.079 57.345 0.221 0.000 1.204 63 W CB 0.749 30.351 29.460 0.237 0.000 1.167 63 W HN 0.509 nan 8.180 nan 0.000 0.553 64 F N 4.551 124.675 119.950 0.291 0.000 2.434 64 F HA 0.265 4.805 4.527 0.021 0.000 0.367 64 F C -0.051 175.675 175.800 -0.123 0.000 1.093 64 F CA -1.820 56.189 58.000 0.016 0.000 1.085 64 F CB 0.440 39.327 39.000 -0.188 0.000 1.322 64 F HN 0.247 nan 8.300 nan 0.000 0.452 65 Q N 5.195 124.902 119.800 -0.155 0.000 2.262 65 Q HA 0.324 4.677 4.340 0.021 0.000 0.272 65 Q C -0.588 174.907 176.000 -0.843 0.000 1.076 65 Q CA 0.242 55.588 55.803 -0.761 0.000 0.905 65 Q CB 1.032 29.497 28.738 -0.456 0.000 1.182 65 Q HN 0.594 nan 8.270 nan 0.000 0.390 66 V N 3.931 123.301 119.914 -0.907 0.000 3.352 66 V HA 0.528 4.661 4.120 0.021 0.000 0.299 66 V C -0.825 174.775 176.094 -0.824 0.000 1.228 66 V CA -0.868 60.999 62.300 -0.722 0.000 1.017 66 V CB 1.006 32.548 31.823 -0.469 0.000 1.237 66 V HN 0.623 nan 8.190 nan 0.000 0.472 67 Y N -0.584 119.637 120.300 -0.130 0.000 2.524 67 Y HA 0.814 5.376 4.550 0.021 0.000 0.347 67 Y C 0.003 175.700 175.900 -0.338 0.000 1.005 67 Y CA -0.417 57.608 58.100 -0.124 0.000 1.025 67 Y CB 2.306 40.782 38.460 0.028 0.000 1.275 67 Y HN 0.881 nan 8.280 nan 0.000 0.460 68 A N 1.362 124.086 122.820 -0.160 0.000 2.594 68 A HA 0.774 5.107 4.320 0.021 0.000 0.296 68 A C -0.045 177.520 177.584 -0.032 0.000 1.061 68 A CA -0.107 51.745 52.037 -0.310 0.000 0.689 68 A CB 1.023 19.447 19.000 -0.960 0.000 1.280 68 A HN 1.705 nan 8.150 nan 0.000 0.406 69 G N 0.933 109.782 108.800 0.081 0.000 2.499 69 G HA2 -0.122 3.850 3.960 0.021 0.000 0.232 69 G HA3 -0.122 3.850 3.960 0.021 0.000 0.232 69 G C 0.631 175.738 174.900 0.344 0.000 1.251 69 G CA 0.488 45.720 45.100 0.220 0.000 0.917 69 G HN 0.929 nan 8.290 nan 0.000 0.580 70 E N 0.391 120.758 120.200 0.278 0.000 2.065 70 E HA -0.170 4.193 4.350 0.021 0.000 0.201 70 E C 2.059 178.769 176.600 0.184 0.000 1.016 70 E CA 1.884 58.436 56.400 0.253 0.000 0.818 70 E CB -0.493 29.310 29.700 0.171 0.000 0.749 70 E HN 0.542 nan 8.360 nan 0.000 0.453 71 D N 0.329 120.823 120.400 0.156 0.000 2.220 71 D HA -0.183 4.470 4.640 0.021 0.000 0.198 71 D C 1.689 178.016 176.300 0.045 0.000 1.001 71 D CA 1.681 55.742 54.000 0.101 0.000 0.875 71 D CB -0.178 40.762 40.800 0.233 0.000 0.921 71 D HN 0.265 nan 8.370 nan 0.000 0.454 72 A N -0.659 122.234 122.820 0.121 0.000 1.887 72 A HA -0.090 4.243 4.320 0.021 0.000 0.212 72 A C 2.100 179.723 177.584 0.066 0.000 1.198 72 A CA 0.551 52.665 52.037 0.127 0.000 0.628 72 A CB -0.887 18.148 19.000 0.058 0.000 0.847 72 A HN 0.272 nan 8.150 nan 0.000 0.449 73 Y N 0.739 120.926 120.300 -0.187 0.000 2.333 73 Y HA -0.154 4.409 4.550 0.021 0.000 0.290 73 Y C 2.022 177.818 175.900 -0.174 0.000 1.144 73 Y CA 2.037 59.918 58.100 -0.365 0.000 1.228 73 Y CB -0.036 38.011 38.460 -0.689 0.000 0.985 73 Y HN 0.199 nan 8.280 nan 0.000 0.542 74 K N -0.452 119.935 120.400 -0.023 0.000 2.288 74 K HA 0.000 4.333 4.320 0.021 0.000 0.201 74 K C 1.596 178.109 176.600 -0.145 0.000 1.048 74 K CA 1.028 57.268 56.287 -0.079 0.000 0.956 74 K CB -0.079 32.411 32.500 -0.017 0.000 0.746 74 K HN 0.381 nan 8.250 nan 0.000 0.461 75 L N -2.301 118.846 121.223 -0.126 0.000 2.526 75 L HA 0.127 4.480 4.340 0.021 0.000 0.210 75 L C 0.820 177.535 176.870 -0.259 0.000 1.048 75 L CA 0.335 55.053 54.840 -0.204 0.000 0.852 75 L CB 0.319 42.226 42.059 -0.252 0.000 1.128 75 L HN 0.077 nan 8.230 nan 0.000 0.482 76 Y N -1.011 119.189 120.300 -0.167 0.000 2.462 76 Y HA 0.403 4.966 4.550 0.022 0.000 0.253 76 Y C 1.721 177.506 175.900 -0.190 0.000 1.095 76 Y CA 0.312 58.331 58.100 -0.135 0.000 1.283 76 Y CB 0.633 39.042 38.460 -0.085 0.000 1.138 76 Y HN 0.113 nan 8.280 nan 0.000 0.522 77 G N 1.036 109.738 108.800 -0.164 0.000 2.141 77 G HA2 -0.308 3.665 3.960 0.021 0.000 0.242 77 G HA3 -0.308 3.665 3.960 0.021 0.000 0.242 77 G C -0.222 174.503 174.900 -0.291 0.000 0.982 77 G CA 0.296 45.160 45.100 -0.393 0.000 0.662 77 G HN 0.449 nan 8.290 nan 0.000 0.527 78 N N -1.677 116.938 118.700 -0.142 0.000 2.324 78 N HA 0.572 5.325 4.740 0.021 0.000 0.285 78 N C 0.534 175.979 175.510 -0.108 0.000 1.076 78 N CA -0.897 52.102 53.050 -0.085 0.000 0.864 78 N CB 0.673 39.147 38.487 -0.022 0.000 1.632 78 N HN -0.017 nan 8.380 nan 0.000 0.478 79 Y N 1.568 121.923 120.300 0.093 0.000 2.516 79 Y HA 0.253 4.816 4.550 0.021 0.000 0.291 79 Y C 0.461 176.308 175.900 -0.089 0.000 1.131 79 Y CA 0.230 58.340 58.100 0.016 0.000 1.281 79 Y CB 0.525 38.979 38.460 -0.010 0.000 1.013 79 Y HN 0.360 nan 8.280 nan 0.000 0.554 80 L N 2.025 123.258 121.223 0.016 0.000 2.492 80 L HA 0.458 4.811 4.340 0.021 0.000 0.259 80 L C -2.867 173.913 176.870 -0.150 0.000 1.229 80 L CA -2.387 52.393 54.840 -0.099 0.000 0.903 80 L CB 0.655 42.678 42.059 -0.059 0.000 1.114 80 L HN -0.260 nan 8.230 nan 0.000 0.494 81 P HA 0.211 nan 4.420 nan 0.000 0.274 81 P C 0.023 177.193 177.300 -0.217 0.000 1.246 81 P CA -0.090 62.792 63.100 -0.362 0.000 0.795 81 P CB 1.150 32.270 31.700 -0.967 0.000 1.006 82 D N 0.691 121.012 120.400 -0.131 0.000 2.116 82 D HA -0.184 4.469 4.640 0.021 0.000 0.193 82 D C 1.218 177.505 176.300 -0.021 0.000 0.998 82 D CA 1.643 55.613 54.000 -0.050 0.000 0.836 82 D CB -0.518 40.276 40.800 -0.010 0.000 0.951 82 D HN 0.414 nan 8.370 nan 0.000 0.449 83 D N 0.066 120.468 120.400 0.003 0.000 2.126 83 D HA -0.147 4.506 4.640 0.021 0.000 0.190 83 D C 2.091 178.480 176.300 0.149 0.000 1.001 83 D CA 1.930 56.028 54.000 0.163 0.000 0.841 83 D CB -0.568 40.381 40.800 0.249 0.000 0.949 83 D HN 0.182 nan 8.370 nan 0.000 0.446 84 T N 0.729 115.270 114.554 -0.022 0.000 2.622 84 T HA -0.118 4.245 4.350 0.021 0.000 0.266 84 T C 2.217 176.943 174.700 0.043 0.000 1.047 84 T CA 0.771 62.847 62.100 -0.040 0.000 1.159 84 T CB -0.577 68.175 68.868 -0.193 0.000 0.863 84 T HN 0.101 nan 8.240 nan 0.000 0.422 85 L N 1.181 122.408 121.223 0.007 0.000 1.990 85 L HA -0.195 4.158 4.340 0.021 0.000 0.213 85 L C 2.603 179.518 176.870 0.074 0.000 1.072 85 L CA 1.340 56.201 54.840 0.034 0.000 0.755 85 L CB -0.755 41.305 42.059 0.002 0.000 0.889 85 L HN 0.240 nan 8.230 nan 0.000 0.432 86 N N -0.035 118.708 118.700 0.073 0.000 2.309 86 N HA -0.118 4.635 4.740 0.021 0.000 0.182 86 N C 1.792 177.424 175.510 0.204 0.000 1.018 86 N CA 1.310 54.400 53.050 0.067 0.000 0.876 86 N CB -0.262 38.199 38.487 -0.043 0.000 0.972 86 N HN 0.341 nan 8.380 nan 0.000 0.434 87 A N 0.825 123.874 122.820 0.383 0.000 1.902 87 A HA -0.053 4.280 4.320 0.021 0.000 0.217 87 A C 2.228 180.088 177.584 0.460 0.000 1.181 87 A CA 0.918 53.311 52.037 0.594 0.000 0.623 87 A CB -0.495 18.744 19.000 0.397 0.000 0.818 87 A HN 0.217 nan 8.150 nan 0.000 0.443 88 I N -1.105 119.631 120.570 0.277 0.000 2.333 88 I HA -0.158 4.025 4.170 0.021 0.000 0.246 88 I C 2.378 178.586 176.117 0.151 0.000 1.106 88 I CA 1.407 62.843 61.300 0.227 0.000 1.411 88 I CB -0.248 37.850 38.000 0.164 0.000 1.082 88 I HN 0.173 nan 8.210 nan 0.000 0.420 89 K N 0.941 121.401 120.400 0.101 0.000 2.059 89 K HA -0.257 4.076 4.320 0.021 0.000 0.212 89 K C 2.141 178.743 176.600 0.004 0.000 1.050 89 K CA 1.776 58.091 56.287 0.047 0.000 0.927 89 K CB -0.057 32.460 32.500 0.028 0.000 0.714 89 K HN 0.283 nan 8.250 nan 0.000 0.447 90 E N -1.375 118.786 120.200 -0.064 0.000 2.076 90 E HA -0.102 4.261 4.350 0.021 0.000 0.190 90 E C 1.377 177.753 176.600 -0.373 0.000 0.979 90 E CA 1.049 57.262 56.400 -0.312 0.000 0.807 90 E CB 0.141 29.479 29.700 -0.603 0.000 0.761 90 E HN 0.273 nan 8.360 nan 0.000 0.454 91 F N -0.587 119.472 119.950 0.182 0.000 2.717 91 F HA 0.272 4.812 4.527 0.021 0.000 0.297 91 F C 1.171 177.051 175.800 0.133 0.000 1.113 91 F CA 0.027 58.123 58.000 0.159 0.000 1.319 91 F CB 0.511 39.627 39.000 0.193 0.000 1.097 91 F HN -0.126 nan 8.300 nan 0.000 0.595 92 R N -0.803 119.849 120.500 0.254 0.000 3.746 92 R HA -0.148 4.204 4.340 0.021 0.000 0.465 92 R C -0.099 176.328 176.300 0.211 0.000 0.725 92 R CA 1.066 57.274 56.100 0.180 0.000 1.545 92 R CB -2.482 27.904 30.300 0.144 0.000 2.197 92 R HN 0.256 nan 8.270 nan 0.000 0.438 93 V N -2.021 118.045 119.914 0.252 0.000 2.656 93 V HA 0.944 5.076 4.120 0.021 0.000 0.307 93 V C -0.539 175.711 176.094 0.261 0.000 1.051 93 V CA -0.125 62.346 62.300 0.284 0.000 0.893 93 V CB 2.236 34.267 31.823 0.346 0.000 0.999 93 V HN 0.375 nan 8.190 nan 0.000 0.426 94 A N 4.930 127.907 122.820 0.262 0.000 2.475 94 A HA 0.871 5.204 4.320 0.021 0.000 0.301 94 A C -1.356 176.362 177.584 0.223 0.000 1.059 94 A CA -0.715 51.453 52.037 0.217 0.000 0.710 94 A CB 1.831 20.922 19.000 0.152 0.000 1.288 94 A HN 1.611 nan 8.150 nan 0.000 0.408 95 L N 2.344 123.677 121.223 0.184 0.000 2.265 95 L HA 0.590 4.942 4.340 0.021 0.000 0.289 95 L C 0.121 176.881 176.870 -0.182 0.000 1.033 95 L CA -0.131 54.763 54.840 0.090 0.000 0.814 95 L CB 0.579 42.731 42.059 0.155 0.000 1.203 95 L HN 0.718 nan 8.230 nan 0.000 0.423 96 K N 3.514 123.730 120.400 -0.306 0.000 2.259 96 K HA 0.889 5.222 4.320 0.021 0.000 0.249 96 K C -0.070 176.340 176.600 -0.316 0.000 0.942 96 K CA -0.759 55.110 56.287 -0.697 0.000 0.816 96 K CB 1.661 33.609 32.500 -0.919 0.000 1.155 96 K HN 0.594 nan 8.250 nan 0.000 0.428 97 G N 1.513 110.172 108.800 -0.234 0.000 2.557 97 G HA2 0.432 4.405 3.960 0.021 0.000 0.292 97 G HA3 0.432 4.405 3.960 0.021 0.000 0.292 97 G C -2.444 172.500 174.900 0.073 0.000 1.237 97 G CA -1.593 43.493 45.100 -0.023 0.000 0.978 97 G HN 0.554 nan 8.290 nan 0.000 0.498 98 P HA 0.319 nan 4.420 nan 0.000 0.277 98 P C -0.614 176.761 177.300 0.125 0.000 1.240 98 P CA -0.226 62.940 63.100 0.110 0.000 0.798 98 P CB 1.471 33.258 31.700 0.145 0.000 0.979 99 L N 1.025 122.294 121.223 0.077 0.000 2.322 99 L HA 0.495 4.848 4.340 0.021 0.000 0.269 99 L C 0.450 177.303 176.870 -0.028 0.000 1.012 99 L CA -0.564 54.300 54.840 0.041 0.000 0.815 99 L CB 1.936 44.011 42.059 0.027 0.000 1.295 99 L HN 0.269 nan 8.230 nan 0.000 0.438 100 T N -0.327 114.192 114.554 -0.059 0.000 2.779 100 T HA 0.159 4.521 4.350 0.021 0.000 0.280 100 T C -0.026 174.561 174.700 -0.188 0.000 0.987 100 T CA -0.359 61.676 62.100 -0.108 0.000 0.966 100 T CB 1.380 70.194 68.868 -0.090 0.000 0.933 100 T HN 0.527 nan 8.240 nan 0.000 0.442 101 T N 5.381 119.820 114.554 -0.191 0.000 2.769 101 T HA 0.263 4.626 4.350 0.021 0.000 0.293 101 T C -2.063 172.480 174.700 -0.261 0.000 0.931 101 T CA -1.275 60.692 62.100 -0.222 0.000 1.139 101 T CB -0.271 68.490 68.868 -0.178 0.000 0.881 101 T HN 0.260 nan 8.240 nan 0.000 0.532 102 P HA 0.155 nan 4.420 nan 0.000 0.270 102 P C -0.691 176.463 177.300 -0.244 0.000 1.223 102 P CA -0.571 62.256 63.100 -0.456 0.000 0.785 102 P CB 0.335 31.554 31.700 -0.801 0.000 0.923 103 V N 1.789 121.594 119.914 -0.182 0.000 2.450 103 V HA 0.348 4.480 4.120 0.021 0.000 0.281 103 V C 1.477 177.524 176.094 -0.079 0.000 1.019 103 V CA 1.897 64.134 62.300 -0.105 0.000 1.062 103 V CB -0.444 31.333 31.823 -0.076 0.000 0.979 103 V HN 1.068 nan 8.190 nan 0.000 0.477 104 G N 3.879 112.642 108.800 -0.062 0.000 3.134 104 G HA2 -0.078 3.895 3.960 0.021 0.000 0.195 104 G HA3 -0.078 3.895 3.960 0.021 0.000 0.195 104 G C 0.597 175.475 174.900 -0.037 0.000 1.054 104 G CA 0.096 45.173 45.100 -0.038 0.000 0.828 104 G HN 1.103 nan 8.290 nan 0.000 0.462 105 G N 0.084 108.849 108.800 -0.059 0.000 2.468 105 G HA2 0.564 4.537 3.960 0.021 0.000 0.264 105 G HA3 0.564 4.537 3.960 0.021 0.000 0.264 105 G C 0.537 175.420 174.900 -0.028 0.000 1.460 105 G CA 0.334 45.404 45.100 -0.050 0.000 1.060 105 G HN 1.492 nan 8.290 nan 0.000 0.543 106 G N -2.303 106.486 108.800 -0.018 0.000 2.954 106 G HA2 0.501 4.473 3.960 0.021 0.000 0.290 106 G HA3 0.501 4.473 3.960 0.021 0.000 0.290 106 G C -0.316 174.631 174.900 0.077 0.000 1.574 106 G CA 0.480 45.591 45.100 0.019 0.000 1.088 106 G HN 0.938 nan 8.290 nan 0.000 0.557 107 Y N 1.827 122.087 120.300 -0.066 0.000 2.801 107 Y HA -0.369 4.194 4.550 0.022 0.000 0.472 107 Y C 0.811 176.677 175.900 -0.057 0.000 1.136 107 Y CA 2.178 60.239 58.100 -0.065 0.000 2.759 107 Y CB -0.433 37.981 38.460 -0.078 0.000 1.150 107 Y HN 0.465 nan 8.280 nan 0.000 0.614 108 R N 1.141 121.387 120.500 -0.425 0.000 3.057 108 R HA 0.402 4.755 4.340 0.021 0.000 0.291 108 R C 1.071 177.290 176.300 -0.135 0.000 1.394 108 R CA 0.526 56.406 56.100 -0.368 0.000 1.630 108 R CB 0.425 30.451 30.300 -0.457 0.000 1.268 108 R HN 0.537 nan 8.270 nan 0.000 0.621 109 S N 0.043 115.684 115.700 -0.098 0.000 2.453 109 S HA -0.043 4.440 4.470 0.021 0.000 0.231 109 S C 1.741 176.314 174.600 -0.045 0.000 1.005 109 S CA 0.462 58.633 58.200 -0.047 0.000 0.949 109 S CB -0.005 63.173 63.200 -0.037 0.000 0.774 109 S HN 0.398 nan 8.310 nan 0.000 0.510 110 L N 1.162 122.344 121.223 -0.068 0.000 2.131 110 L HA 0.030 4.383 4.340 0.021 0.000 0.206 110 L C 2.172 179.024 176.870 -0.029 0.000 1.087 110 L CA 1.167 55.978 54.840 -0.050 0.000 0.767 110 L CB -0.813 41.206 42.059 -0.066 0.000 0.917 110 L HN 0.281 nan 8.230 nan 0.000 0.441 111 N N -0.291 118.389 118.700 -0.034 0.000 2.188 111 N HA -0.123 4.630 4.740 0.021 0.000 0.184 111 N C 1.831 177.339 175.510 -0.003 0.000 1.018 111 N CA 0.810 53.852 53.050 -0.013 0.000 0.858 111 N CB -0.393 38.075 38.487 -0.031 0.000 0.989 111 N HN -0.012 nan 8.380 nan 0.000 0.426 112 V N 1.104 121.017 119.914 -0.001 0.000 2.219 112 V HA -0.300 3.833 4.120 0.021 0.000 0.248 112 V C 2.518 178.623 176.094 0.018 0.000 1.053 112 V CA 2.411 64.723 62.300 0.020 0.000 1.009 112 V CB -1.339 30.500 31.823 0.026 0.000 0.636 112 V HN 0.566 nan 8.190 nan 0.000 0.445 113 T N -1.275 113.285 114.554 0.010 0.000 2.803 113 T HA -0.171 4.192 4.350 0.021 0.000 0.269 113 T C 1.776 176.484 174.700 0.013 0.000 1.052 113 T CA 1.800 63.907 62.100 0.013 0.000 1.136 113 T CB -0.608 68.265 68.868 0.009 0.000 0.864 113 T HN 0.380 nan 8.240 nan 0.000 0.467 114 I N 2.474 123.050 120.570 0.009 0.000 2.099 114 I HA -0.262 3.921 4.170 0.021 0.000 0.239 114 I C 3.085 179.210 176.117 0.013 0.000 1.066 114 I CA 2.045 63.354 61.300 0.015 0.000 1.324 114 I CB -0.403 37.615 38.000 0.030 0.000 1.037 114 I HN 0.348 nan 8.210 nan 0.000 0.401 115 R N 1.025 121.530 120.500 0.008 0.000 2.120 115 R HA -0.183 4.170 4.340 0.021 0.000 0.234 115 R C 1.937 178.256 176.300 0.031 0.000 1.123 115 R CA 1.177 57.280 56.100 0.005 0.000 0.975 115 R CB -0.668 29.632 30.300 -0.000 0.000 0.866 115 R HN 0.523 nan 8.270 nan 0.000 0.446 116 Q N 1.268 121.090 119.800 0.037 0.000 1.990 116 Q HA -0.087 4.266 4.340 0.021 0.000 0.200 116 Q C 2.507 178.535 176.000 0.047 0.000 0.980 116 Q CA 1.887 57.719 55.803 0.048 0.000 0.832 116 Q CB -0.238 28.526 28.738 0.043 0.000 0.897 116 Q HN 0.408 nan 8.270 nan 0.000 0.427 117 V N -0.995 118.940 119.914 0.034 0.000 2.759 117 V HA -0.096 4.037 4.120 0.021 0.000 0.256 117 V C 1.658 177.775 176.094 0.038 0.000 1.080 117 V CA 1.363 63.682 62.300 0.033 0.000 1.101 117 V CB -0.407 31.430 31.823 0.022 0.000 0.698 117 V HN 0.254 nan 8.190 nan 0.000 0.477 118 L N 0.192 121.435 121.223 0.035 0.000 2.607 118 L HA 0.300 4.653 4.340 0.021 0.000 0.228 118 L C 1.136 178.032 176.870 0.042 0.000 1.123 118 L CA 0.749 55.608 54.840 0.032 0.000 0.890 118 L CB -0.406 41.662 42.059 0.014 0.000 1.103 118 L HN 0.426 nan 8.230 nan 0.000 0.468 119 D N 1.877 122.318 120.400 0.067 0.000 2.689 119 D HA -0.192 4.460 4.640 0.021 0.000 0.237 119 D C -0.163 176.191 176.300 0.091 0.000 1.148 119 D CA 0.418 54.491 54.000 0.121 0.000 0.656 119 D CB -0.670 40.230 40.800 0.166 0.000 1.050 119 D HN 0.258 nan 8.370 nan 0.000 0.426 120 L N 1.927 123.151 121.223 0.001 0.000 2.385 120 L HA 0.100 4.453 4.340 0.021 0.000 0.285 120 L C 1.547 178.375 176.870 -0.070 0.000 1.125 120 L CA -0.563 54.200 54.840 -0.127 0.000 0.890 120 L CB -0.186 41.784 42.059 -0.149 0.000 1.251 120 L HN 0.169 nan 8.230 nan 0.000 0.445 121 Y N 1.131 121.423 120.300 -0.014 0.000 2.462 121 Y HA 0.597 5.160 4.550 0.021 0.000 0.261 121 Y C 0.706 176.606 175.900 -0.000 0.000 1.146 121 Y CA -0.638 57.463 58.100 0.001 0.000 1.283 121 Y CB 0.069 38.529 38.460 -0.000 0.000 1.090 121 Y HN 0.398 nan 8.280 nan 0.000 0.526 122 A N 1.559 124.286 122.820 -0.156 0.000 2.343 122 A HA 0.360 4.693 4.320 0.021 0.000 0.308 122 A C -1.187 176.316 177.584 -0.135 0.000 1.092 122 A CA -0.870 51.136 52.037 -0.052 0.000 0.751 122 A CB 0.530 19.516 19.000 -0.024 0.000 1.203 122 A HN 0.473 nan 8.150 nan 0.000 0.452 123 N N 2.374 121.017 118.700 -0.094 0.000 2.426 123 N HA 0.471 5.224 4.740 0.021 0.000 0.257 123 N C -1.300 174.077 175.510 -0.221 0.000 1.002 123 N CA -0.271 52.692 53.050 -0.145 0.000 0.942 123 N CB 0.892 39.331 38.487 -0.080 0.000 1.112 123 N HN 0.293 nan 8.380 nan 0.000 0.499 124 V N 4.394 124.117 119.914 -0.318 0.000 2.357 124 V HA 0.415 4.547 4.120 0.021 0.000 0.284 124 V C -0.092 175.796 176.094 -0.343 0.000 1.018 124 V CA -0.585 61.406 62.300 -0.515 0.000 0.841 124 V CB 1.116 32.547 31.823 -0.653 0.000 0.991 124 V HN 0.678 nan 8.190 nan 0.000 0.437 125 R N 6.010 126.327 120.500 -0.305 0.000 2.409 125 R HA 0.484 4.837 4.340 0.021 0.000 0.313 125 R C -2.835 173.400 176.300 -0.108 0.000 0.953 125 R CA -1.646 54.361 56.100 -0.156 0.000 0.849 125 R CB 2.687 32.930 30.300 -0.096 0.000 1.171 125 R HN 0.440 nan 8.270 nan 0.000 0.458 126 P HA 0.193 nan 4.420 nan 0.000 0.290 126 P C -0.799 176.499 177.300 -0.003 0.000 1.276 126 P CA -0.451 62.693 63.100 0.073 0.000 0.808 126 P CB 1.642 33.477 31.700 0.225 0.000 0.966 127 V N 5.427 125.361 119.914 0.033 0.000 2.443 127 V HA 0.516 4.649 4.120 0.021 0.000 0.293 127 V C -0.595 175.428 176.094 -0.119 0.000 1.021 127 V CA -0.339 61.877 62.300 -0.140 0.000 0.848 127 V CB 0.608 32.403 31.823 -0.047 0.000 0.998 127 V HN 0.620 nan 8.190 nan 0.000 0.424 128 Y N 3.249 123.520 120.300 -0.049 0.000 2.638 128 Y HA 0.749 5.311 4.550 0.021 0.000 0.335 128 Y C -1.604 174.326 175.900 0.051 0.000 1.155 128 Y CA -1.931 56.152 58.100 -0.028 0.000 1.046 128 Y CB 1.312 39.769 38.460 -0.005 0.000 1.303 128 Y HN 0.498 nan 8.280 nan 0.000 0.460 129 Y N 2.657 123.052 120.300 0.158 0.000 2.330 129 Y HA 0.687 5.249 4.550 0.021 0.000 0.336 129 Y C -1.550 174.443 175.900 0.156 0.000 1.036 129 Y CA -1.596 56.557 58.100 0.088 0.000 1.125 129 Y CB 1.134 39.612 38.460 0.031 0.000 1.194 129 Y HN 0.639 nan 8.280 nan 0.000 0.469 130 L N 6.633 127.512 121.223 -0.574 0.000 2.272 130 L HA 0.372 4.725 4.340 0.021 0.000 0.289 130 L C -0.074 176.231 176.870 -0.943 0.000 1.032 130 L CA -1.031 53.499 54.840 -0.516 0.000 0.810 130 L CB 1.055 42.995 42.059 -0.198 0.000 1.205 130 L HN 0.672 nan 8.230 nan 0.000 0.422 131 K N 2.030 122.118 120.400 -0.520 0.000 2.550 131 K HA 0.264 4.596 4.320 0.021 0.000 0.280 131 K C 1.110 177.618 176.600 -0.153 0.000 0.987 131 K CA 0.888 57.038 56.287 -0.227 0.000 1.048 131 K CB 0.186 32.673 32.500 -0.021 0.000 0.879 131 K HN 0.881 nan 8.250 nan 0.000 0.491 132 G N 0.944 109.726 108.800 -0.030 0.000 2.284 132 G HA2 -0.280 3.692 3.960 0.021 0.000 0.230 132 G HA3 -0.280 3.692 3.960 0.021 0.000 0.230 132 G C 0.086 174.995 174.900 0.014 0.000 1.021 132 G CA 0.036 45.140 45.100 0.006 0.000 0.619 132 G HN 0.598 nan 8.290 nan 0.000 0.510 133 V N 3.382 123.263 119.914 -0.054 0.000 2.614 133 V HA 0.621 4.753 4.120 0.021 0.000 0.291 133 V C -1.695 174.483 176.094 0.139 0.000 1.049 133 V CA -1.446 60.860 62.300 0.010 0.000 1.038 133 V CB 1.009 32.800 31.823 -0.054 0.000 0.980 133 V HN 0.192 nan 8.190 nan 0.000 0.481 134 P HA 0.248 nan 4.420 nan 0.000 0.268 134 P C -1.059 176.282 177.300 0.068 0.000 1.205 134 P CA 0.241 63.385 63.100 0.073 0.000 0.771 134 P CB 0.831 32.564 31.700 0.055 0.000 0.858 135 S N 2.095 117.797 115.700 0.004 0.000 2.547 135 S HA 0.528 5.011 4.470 0.021 0.000 0.281 135 S C -1.935 172.604 174.600 -0.101 0.000 1.118 135 S CA -1.368 56.810 58.200 -0.037 0.000 0.947 135 S CB 0.982 64.126 63.200 -0.093 0.000 1.053 135 S HN 0.279 nan 8.310 nan 0.000 0.482 136 P HA 0.215 nan 4.420 nan 0.000 0.241 136 P C 0.291 177.536 177.300 -0.092 0.000 1.191 136 P CA 0.191 63.233 63.100 -0.098 0.000 0.771 136 P CB -0.345 31.313 31.700 -0.069 0.000 0.929 137 I N -4.391 116.117 120.570 -0.104 0.000 2.863 137 I HA 0.427 4.610 4.170 0.021 0.000 0.311 137 I C 0.990 177.004 176.117 -0.172 0.000 1.026 137 I CA -1.234 60.002 61.300 -0.105 0.000 1.077 137 I CB 2.018 39.978 38.000 -0.067 0.000 1.262 137 I HN -0.460 nan 8.210 nan 0.000 0.461 138 K N 0.268 120.542 120.400 -0.210 0.000 2.228 138 K HA 0.098 4.431 4.320 0.021 0.000 0.202 138 K C 0.152 176.390 176.600 -0.604 0.000 1.051 138 K CA 1.040 57.076 56.287 -0.418 0.000 0.960 138 K CB -0.019 32.159 32.500 -0.537 0.000 0.743 138 K HN 0.552 nan 8.250 nan 0.000 0.458 139 H N -0.266 118.737 119.070 -0.111 0.000 2.471 139 H HA 0.148 4.717 4.556 0.021 0.000 0.234 139 H C -2.112 173.104 175.328 -0.188 0.000 1.388 139 H CA -1.651 54.325 56.048 -0.120 0.000 1.198 139 H CB 0.813 30.541 29.762 -0.056 0.000 1.714 139 H HN 0.101 nan 8.280 nan 0.000 0.536 140 P HA -0.121 nan 4.420 nan 0.000 0.226 140 P C 1.426 178.509 177.300 -0.361 0.000 1.153 140 P CA 0.786 63.617 63.100 -0.447 0.000 0.777 140 P CB 0.474 31.586 31.700 -0.980 0.000 0.794 141 E N 1.861 121.912 120.200 -0.248 0.000 2.268 141 E HA -0.172 4.191 4.350 0.021 0.000 0.195 141 E C 1.292 177.920 176.600 0.047 0.000 0.995 141 E CA 1.084 57.495 56.400 0.019 0.000 0.836 141 E CB -0.618 29.133 29.700 0.085 0.000 0.763 141 E HN 0.268 nan 8.360 nan 0.000 0.491 142 K N 0.765 121.176 120.400 0.018 0.000 2.486 142 K HA 0.111 4.443 4.320 0.021 0.000 0.194 142 K C 0.298 176.899 176.600 0.002 0.000 1.033 142 K CA 0.151 56.455 56.287 0.029 0.000 1.004 142 K CB 0.445 32.967 32.500 0.037 0.000 0.798 142 K HN -0.054 nan 8.250 nan 0.000 0.495 143 V N 2.448 122.322 119.914 -0.067 0.000 2.427 143 V HA 0.059 4.192 4.120 0.021 0.000 0.268 143 V C -0.257 175.670 176.094 -0.278 0.000 1.046 143 V CA -0.168 61.965 62.300 -0.279 0.000 0.970 143 V CB 0.521 32.150 31.823 -0.323 0.000 1.001 143 V HN 0.292 nan 8.190 nan 0.000 0.476 144 N N 5.060 123.514 118.700 -0.410 0.000 2.839 144 N HA 0.401 5.154 4.740 0.021 0.000 0.230 144 N C -1.271 174.285 175.510 0.076 0.000 1.388 144 N CA -0.346 52.642 53.050 -0.104 0.000 0.747 144 N CB 0.595 39.117 38.487 0.059 0.000 1.411 144 N HN 0.519 nan 8.380 nan 0.000 0.556 145 F N 0.892 120.940 119.950 0.164 0.000 2.556 145 F HA 0.608 5.149 4.527 0.023 0.000 0.327 145 F C 0.160 176.035 175.800 0.125 0.000 1.059 145 F CA -1.438 56.644 58.000 0.138 0.000 0.953 145 F CB 1.833 40.885 39.000 0.088 0.000 1.227 145 F HN -0.098 nan 8.300 nan 0.000 0.478 146 V N 4.123 124.234 119.914 0.329 0.000 2.444 146 V HA 0.566 4.699 4.120 0.021 0.000 0.294 146 V C -0.888 175.247 176.094 0.068 0.000 1.022 146 V CA -0.512 61.858 62.300 0.118 0.000 0.850 146 V CB 1.294 33.098 31.823 -0.032 0.000 0.992 146 V HN 0.678 nan 8.190 nan 0.000 0.426 147 I N 7.306 127.839 120.570 -0.062 0.000 2.321 147 I HA 0.430 4.612 4.170 0.021 0.000 0.291 147 I C -0.890 175.070 176.117 -0.262 0.000 0.998 147 I CA -0.159 61.108 61.300 -0.054 0.000 1.227 147 I CB 1.311 39.294 38.000 -0.028 0.000 1.368 147 I HN 0.536 nan 8.210 nan 0.000 0.466 148 F N 6.115 126.030 119.950 -0.059 0.000 2.361 148 F HA 0.461 5.000 4.527 0.021 0.000 0.364 148 F C 0.421 176.212 175.800 -0.015 0.000 1.117 148 F CA -0.519 57.453 58.000 -0.048 0.000 1.071 148 F CB 0.931 39.909 39.000 -0.036 0.000 1.188 148 F HN 0.315 nan 8.300 nan 0.000 0.464 149 R N 3.119 123.661 120.500 0.070 0.000 2.393 149 R HA 0.180 4.533 4.340 0.021 0.000 0.315 149 R C -0.322 176.013 176.300 0.058 0.000 0.952 149 R CA -0.618 55.495 56.100 0.021 0.000 0.842 149 R CB 1.318 31.591 30.300 -0.045 0.000 1.163 149 R HN 0.546 nan 8.270 nan 0.000 0.450 150 E N 2.744 122.989 120.200 0.076 0.000 2.415 150 E HA -0.092 4.271 4.350 0.021 0.000 0.263 150 E C -0.358 176.259 176.600 0.029 0.000 0.995 150 E CA 0.609 57.068 56.400 0.098 0.000 0.915 150 E CB 0.525 30.302 29.700 0.129 0.000 0.951 150 E HN 0.654 nan 8.360 nan 0.000 0.449 151 N N 2.223 120.965 118.700 0.070 0.000 2.240 151 N HA 0.003 4.756 4.740 0.021 0.000 0.240 151 N C 0.563 176.123 175.510 0.084 0.000 1.277 151 N CA 0.409 53.492 53.050 0.055 0.000 0.873 151 N CB 0.499 39.013 38.487 0.045 0.000 1.222 151 N HN 0.450 nan 8.380 nan 0.000 0.507 152 T N -3.321 111.289 114.554 0.094 0.000 3.000 152 T HA 0.176 4.538 4.350 0.021 0.000 0.248 152 T C 0.719 175.475 174.700 0.093 0.000 1.034 152 T CA 0.100 62.262 62.100 0.104 0.000 1.060 152 T CB 0.395 69.338 68.868 0.125 0.000 0.983 152 T HN 0.242 nan 8.240 nan 0.000 0.482 153 E N 0.437 120.683 120.200 0.077 0.000 2.489 153 E HA 0.569 4.932 4.350 0.021 0.000 0.201 153 E C -0.968 175.656 176.600 0.041 0.000 0.752 153 E CA -0.925 55.518 56.400 0.072 0.000 0.948 153 E CB 0.246 30.000 29.700 0.089 0.000 1.871 153 E HN 0.045 nan 8.360 nan 0.000 0.383 154 D N -0.805 119.616 120.400 0.036 0.000 4.808 154 D HA -0.213 4.439 4.640 0.021 0.000 0.304 154 D C 0.874 177.202 176.300 0.046 0.000 2.360 154 D CA 1.823 55.823 54.000 -0.000 0.000 1.222 154 D CB -0.433 40.300 40.800 -0.112 0.000 1.085 154 D HN 0.575 nan 8.370 nan 0.000 1.266 155 V N -0.964 118.983 119.914 0.055 0.000 2.867 155 V HA -0.156 3.977 4.120 0.021 0.000 0.260 155 V C 2.075 178.277 176.094 0.181 0.000 1.099 155 V CA 1.865 64.225 62.300 0.100 0.000 1.122 155 V CB -0.923 30.954 31.823 0.090 0.000 0.708 155 V HN 0.504 nan 8.190 nan 0.000 0.490 156 Y N 1.081 121.352 120.300 -0.048 0.000 2.553 156 Y HA 0.529 5.091 4.550 0.021 0.000 0.303 156 Y C 2.367 178.251 175.900 -0.027 0.000 1.194 156 Y CA -0.335 57.741 58.100 -0.040 0.000 1.305 156 Y CB -0.904 37.541 38.460 -0.025 0.000 1.045 156 Y HN 0.349 nan 8.280 nan 0.000 0.514 157 A N -0.632 122.258 122.820 0.117 0.000 2.238 157 A HA 0.352 4.685 4.320 0.021 0.000 0.208 157 A C 2.123 179.706 177.584 -0.003 0.000 1.177 157 A CA 0.761 52.834 52.037 0.061 0.000 0.804 157 A CB -0.901 18.131 19.000 0.054 0.000 0.823 157 A HN 0.518 nan 8.150 nan 0.000 0.482 158 G N -0.511 108.263 108.800 -0.043 0.000 2.160 158 G HA2 -0.243 3.730 3.960 0.021 0.000 0.251 158 G HA3 -0.243 3.730 3.960 0.021 0.000 0.251 158 G C 0.062 174.839 174.900 -0.205 0.000 1.008 158 G CA 0.368 45.400 45.100 -0.115 0.000 0.724 158 G HN 0.568 nan 8.290 nan 0.000 0.514 159 I N 1.647 122.085 120.570 -0.220 0.000 2.256 159 I HA 0.473 4.656 4.170 0.021 0.000 0.294 159 I C 0.423 176.136 176.117 -0.673 0.000 1.127 159 I CA -0.141 60.921 61.300 -0.395 0.000 1.247 159 I CB 0.436 38.329 38.000 -0.178 0.000 1.460 159 I HN 0.391 nan 8.210 nan 0.000 0.511 160 E N 7.105 126.642 120.200 -1.104 0.000 2.409 160 E HA 0.335 4.698 4.350 0.021 0.000 0.280 160 E C -2.405 173.474 176.600 -1.202 0.000 1.079 160 E CA -0.770 55.005 56.400 -1.041 0.000 0.840 160 E CB 1.657 31.124 29.700 -0.388 0.000 1.309 160 E HN 0.311 nan 8.360 nan 0.000 0.447 161 W N 0.663 121.972 121.300 0.015 0.000 3.022 161 W HA 0.406 5.078 4.660 0.019 0.000 0.335 161 W C -2.517 174.009 176.519 0.012 0.000 1.133 161 W CA -1.688 55.664 57.345 0.012 0.000 1.219 161 W CB 1.501 30.969 29.460 0.013 0.000 1.409 161 W HN 0.288 nan 8.180 nan 0.000 0.507 162 P HA 0.130 nan 4.420 nan 0.000 0.274 162 P C -0.136 177.233 177.300 0.115 0.000 1.231 162 P CA -0.339 62.828 63.100 0.111 0.000 0.790 162 P CB 0.604 32.355 31.700 0.085 0.000 0.951 163 R N 1.415 121.962 120.500 0.078 0.000 2.638 163 R HA 0.296 4.649 4.340 0.021 0.000 0.268 163 R C 1.133 177.468 176.300 0.058 0.000 1.006 163 R CA 0.901 57.041 56.100 0.067 0.000 1.088 163 R CB -1.478 28.851 30.300 0.048 0.000 0.950 163 R HN 0.785 nan 8.270 nan 0.000 0.419 164 G N 1.516 110.346 108.800 0.051 0.000 2.189 164 G HA2 -0.362 3.610 3.960 0.021 0.000 0.267 164 G HA3 -0.362 3.610 3.960 0.021 0.000 0.267 164 G C 0.157 175.078 174.900 0.036 0.000 0.975 164 G CA 0.671 45.793 45.100 0.037 0.000 0.644 164 G HN 1.252 nan 8.290 nan 0.000 0.537 165 S N 0.206 115.938 115.700 0.052 0.000 2.592 165 S HA 0.490 4.973 4.470 0.021 0.000 0.271 165 S C 1.496 176.104 174.600 0.013 0.000 1.326 165 S CA 0.606 58.834 58.200 0.047 0.000 1.024 165 S CB 1.622 64.876 63.200 0.089 0.000 0.921 165 S HN 0.760 nan 8.310 nan 0.000 0.527 166 E N 1.742 121.937 120.200 -0.009 0.000 2.110 166 E HA -0.264 4.099 4.350 0.021 0.000 0.193 166 E C 1.456 177.997 176.600 -0.099 0.000 0.988 166 E CA 1.535 57.911 56.400 -0.041 0.000 0.804 166 E CB -0.417 29.261 29.700 -0.037 0.000 0.745 166 E HN 0.895 nan 8.360 nan 0.000 0.458 167 E N 1.767 121.875 120.200 -0.153 0.000 2.072 167 E HA -0.155 4.208 4.350 0.021 0.000 0.191 167 E C 2.199 178.580 176.600 -0.366 0.000 0.985 167 E CA 1.203 57.383 56.400 -0.366 0.000 0.801 167 E CB -0.548 28.774 29.700 -0.629 0.000 0.750 167 E HN 0.339 nan 8.360 nan 0.000 0.452 168 A N 2.385 125.122 122.820 -0.139 0.000 1.865 168 A HA -0.132 4.201 4.320 0.021 0.000 0.217 168 A C 2.567 180.143 177.584 -0.013 0.000 1.191 168 A CA 1.672 53.717 52.037 0.013 0.000 0.623 168 A CB -0.979 18.101 19.000 0.135 0.000 0.826 168 A HN 0.232 nan 8.150 nan 0.000 0.444 169 L N -0.925 120.290 121.223 -0.015 0.000 2.079 169 L HA -0.238 4.115 4.340 0.021 0.000 0.210 169 L C 2.585 179.444 176.870 -0.018 0.000 1.081 169 L CA 1.894 56.731 54.840 -0.006 0.000 0.752 169 L CB -0.450 41.606 42.059 -0.005 0.000 0.896 169 L HN 0.389 nan 8.230 nan 0.000 0.433 170 K N -0.259 120.104 120.400 -0.062 0.000 2.148 170 K HA -0.121 4.211 4.320 0.021 0.000 0.204 170 K C 2.094 178.678 176.600 -0.027 0.000 1.050 170 K CA 0.820 57.072 56.287 -0.058 0.000 0.942 170 K CB -0.027 32.403 32.500 -0.117 0.000 0.724 170 K HN 0.251 nan 8.250 nan 0.000 0.446 171 L N 1.102 122.282 121.223 -0.070 0.000 2.005 171 L HA -0.170 4.182 4.340 0.021 0.000 0.207 171 L C 2.180 179.129 176.870 0.133 0.000 1.072 171 L CA 1.423 56.261 54.840 -0.002 0.000 0.744 171 L CB -0.205 41.824 42.059 -0.050 0.000 0.895 171 L HN 0.206 nan 8.230 nan 0.000 0.433 172 I N -0.436 120.189 120.570 0.091 0.000 2.163 172 I HA -0.379 3.803 4.170 0.021 0.000 0.243 172 I C 2.764 178.926 176.117 0.076 0.000 1.085 172 I CA 1.446 62.802 61.300 0.093 0.000 1.347 172 I CB -0.391 37.649 38.000 0.067 0.000 1.044 172 I HN 0.290 nan 8.210 nan 0.000 0.408 173 R N 0.281 120.816 120.500 0.058 0.000 2.092 173 R HA -0.193 4.159 4.340 0.021 0.000 0.231 173 R C 2.393 178.709 176.300 0.028 0.000 1.119 173 R CA 1.379 57.498 56.100 0.031 0.000 0.970 173 R CB -0.308 30.003 30.300 0.018 0.000 0.864 173 R HN 0.238 nan 8.270 nan 0.000 0.440 174 F N 1.386 121.285 119.950 -0.086 0.000 2.043 174 F HA -0.242 4.300 4.527 0.025 0.000 0.297 174 F C 1.677 177.354 175.800 -0.205 0.000 1.121 174 F CA 1.767 59.684 58.000 -0.139 0.000 1.199 174 F CB -0.427 38.504 39.000 -0.116 0.000 0.968 174 F HN -0.037 nan 8.300 nan 0.000 0.478 175 L N 0.026 121.218 121.223 -0.052 0.000 2.187 175 L HA -0.223 4.130 4.340 0.021 0.000 0.213 175 L C 2.386 179.175 176.870 -0.135 0.000 1.100 175 L CA 1.646 56.438 54.840 -0.079 0.000 0.765 175 L CB -0.787 41.407 42.059 0.226 0.000 0.904 175 L HN 0.168 nan 8.230 nan 0.000 0.437 176 K N 0.798 121.131 120.400 -0.111 0.000 2.007 176 K HA -0.107 4.226 4.320 0.021 0.000 0.206 176 K C 1.766 178.264 176.600 -0.170 0.000 1.047 176 K CA 1.714 57.947 56.287 -0.090 0.000 0.937 176 K CB -0.016 32.457 32.500 -0.046 0.000 0.718 176 K HN 0.313 nan 8.250 nan 0.000 0.438 177 N N 0.002 118.558 118.700 -0.240 0.000 2.171 177 N HA -0.100 4.653 4.740 0.021 0.000 0.184 177 N C 1.473 176.767 175.510 -0.361 0.000 1.021 177 N CA 0.993 53.896 53.050 -0.245 0.000 0.854 177 N CB 0.097 38.459 38.487 -0.209 0.000 0.994 177 N HN 0.172 nan 8.380 nan 0.000 0.426 178 E N 0.380 120.171 120.200 -0.683 0.000 2.042 178 E HA 0.003 4.365 4.350 0.021 0.000 0.189 178 E C 0.943 177.149 176.600 -0.657 0.000 0.974 178 E CA 0.950 56.796 56.400 -0.924 0.000 0.806 178 E CB -0.054 28.551 29.700 -1.825 0.000 0.769 178 E HN 0.478 nan 8.360 nan 0.000 0.451 179 F N -0.382 119.438 119.950 -0.217 0.000 2.661 179 F HA 0.347 4.886 4.527 0.020 0.000 0.306 179 F C 1.305 177.062 175.800 -0.071 0.000 1.094 179 F CA -0.029 57.901 58.000 -0.116 0.000 1.254 179 F CB 0.630 39.579 39.000 -0.086 0.000 1.040 179 F HN 0.010 nan 8.300 nan 0.000 0.562 180 G N 2.277 111.084 108.800 0.011 0.000 2.321 180 G HA2 -0.276 3.696 3.960 0.021 0.000 0.287 180 G HA3 -0.276 3.696 3.960 0.021 0.000 0.287 180 G C 0.002 174.934 174.900 0.053 0.000 1.018 180 G CA 0.525 45.635 45.100 0.016 0.000 0.855 180 G HN 0.440 nan 8.290 nan 0.000 0.507 181 V N -0.693 119.272 119.914 0.084 0.000 2.481 181 V HA 0.838 4.971 4.120 0.021 0.000 0.286 181 V C 0.242 176.375 176.094 0.064 0.000 1.042 181 V CA 0.257 62.612 62.300 0.091 0.000 0.928 181 V CB 1.943 33.850 31.823 0.139 0.000 0.986 181 V HN 0.339 nan 8.190 nan 0.000 0.462 182 T N 8.544 123.131 114.554 0.054 0.000 2.893 182 T HA 0.524 4.887 4.350 0.021 0.000 0.324 182 T C -0.213 174.516 174.700 0.048 0.000 1.082 182 T CA -0.005 62.120 62.100 0.043 0.000 0.983 182 T CB 0.073 68.958 68.868 0.029 0.000 1.005 182 T HN 0.611 nan 8.240 nan 0.000 0.475 183 I N 3.441 124.044 120.570 0.056 0.000 2.321 183 I HA 0.345 4.528 4.170 0.021 0.000 0.291 183 I C 0.907 177.053 176.117 0.048 0.000 0.998 183 I CA -0.973 60.362 61.300 0.059 0.000 1.227 183 I CB 1.054 39.101 38.000 0.078 0.000 1.368 183 I HN 0.319 nan 8.210 nan 0.000 0.466 184 R N 5.078 125.602 120.500 0.041 0.000 2.619 184 R HA -0.047 4.305 4.340 0.021 0.000 0.268 184 R C 0.918 177.241 176.300 0.037 0.000 0.990 184 R CA -0.027 56.093 56.100 0.034 0.000 1.092 184 R CB 0.743 31.061 30.300 0.030 0.000 0.935 184 R HN 0.627 nan 8.270 nan 0.000 0.415 185 E N 1.848 122.067 120.200 0.031 0.000 2.106 185 E HA -0.160 4.203 4.350 0.021 0.000 0.192 185 E C 0.726 177.347 176.600 0.035 0.000 0.984 185 E CA 1.093 57.512 56.400 0.032 0.000 0.806 185 E CB -0.048 29.667 29.700 0.024 0.000 0.750 185 E HN 0.633 nan 8.360 nan 0.000 0.458 186 D N 1.223 121.642 120.400 0.031 0.000 2.488 186 D HA -0.053 4.600 4.640 0.021 0.000 0.260 186 D C -0.078 176.244 176.300 0.036 0.000 1.273 186 D CA 0.138 54.157 54.000 0.030 0.000 0.912 186 D CB -0.286 40.528 40.800 0.023 0.000 0.982 186 D HN -0.176 nan 8.370 nan 0.000 0.492 187 S N -0.823 114.904 115.700 0.046 0.000 2.472 187 S HA 0.622 5.105 4.470 0.021 0.000 0.303 187 S C 0.322 174.963 174.600 0.069 0.000 1.099 187 S CA -0.585 57.647 58.200 0.053 0.000 1.077 187 S CB 1.316 64.550 63.200 0.057 0.000 1.031 187 S HN 0.295 nan 8.310 nan 0.000 0.487 188 G N 3.010 111.848 108.800 0.064 0.000 2.476 188 G HA2 0.614 4.587 3.960 0.021 0.000 0.269 188 G HA3 0.614 4.587 3.960 0.021 0.000 0.269 188 G C -0.803 174.154 174.900 0.094 0.000 1.195 188 G CA -0.543 44.604 45.100 0.078 0.000 0.843 188 G HN 0.784 nan 8.290 nan 0.000 0.545 189 I N 0.655 121.306 120.570 0.135 0.000 2.607 189 I HA 0.496 4.679 4.170 0.021 0.000 0.290 189 I C 0.453 176.650 176.117 0.134 0.000 1.129 189 I CA -0.727 60.670 61.300 0.163 0.000 1.042 189 I CB 2.488 40.636 38.000 0.246 0.000 1.242 189 I HN 0.677 nan 8.210 nan 0.000 0.421 190 G N 4.924 113.768 108.800 0.074 0.000 2.568 190 G HA2 0.851 4.824 3.960 0.021 0.000 0.313 190 G HA3 0.851 4.824 3.960 0.021 0.000 0.313 190 G C -1.363 173.578 174.900 0.068 0.000 1.227 190 G CA -0.576 44.522 45.100 -0.003 0.000 0.979 190 G HN 0.600 nan 8.290 nan 0.000 0.486 191 I N -2.466 118.125 120.570 0.034 0.000 2.647 191 I HA 0.683 4.866 4.170 0.021 0.000 0.295 191 I C -0.782 175.371 176.117 0.061 0.000 1.078 191 I CA -1.249 60.106 61.300 0.092 0.000 1.048 191 I CB 2.583 40.683 38.000 0.166 0.000 1.239 191 I HN 0.363 nan 8.210 nan 0.000 0.421 192 K N 6.937 127.383 120.400 0.076 0.000 2.478 192 K HA 0.559 4.891 4.320 0.021 0.000 0.236 192 K C -2.687 173.963 176.600 0.085 0.000 1.021 192 K CA -1.563 54.763 56.287 0.064 0.000 1.010 192 K CB 1.066 33.596 32.500 0.050 0.000 1.331 192 K HN 0.595 nan 8.250 nan 0.000 0.470 193 P HA 0.387 nan 4.420 nan 0.000 0.297 193 P C -0.707 176.672 177.300 0.131 0.000 1.319 193 P CA -0.472 62.696 63.100 0.114 0.000 0.810 193 P CB 1.261 33.024 31.700 0.105 0.000 0.947 194 I N 2.234 122.917 120.570 0.188 0.000 2.499 194 I HA 0.258 4.441 4.170 0.021 0.000 0.288 194 I C 0.172 176.503 176.117 0.356 0.000 1.048 194 I CA -0.614 60.842 61.300 0.259 0.000 1.062 194 I CB 2.388 40.554 38.000 0.276 0.000 1.238 194 I HN 0.392 nan 8.210 nan 0.000 0.426 195 S N 4.051 119.909 115.700 0.264 0.000 2.503 195 S HA 0.366 4.849 4.470 0.021 0.000 0.301 195 S C 0.679 175.134 174.600 -0.242 0.000 1.087 195 S CA -0.704 57.545 58.200 0.082 0.000 1.042 195 S CB 2.508 65.752 63.200 0.072 0.000 1.043 195 S HN 0.691 nan 8.310 nan 0.000 0.489 196 E N 0.533 120.146 120.200 -0.978 0.000 2.086 196 E HA -0.219 4.143 4.350 0.021 0.000 0.200 196 E C 1.362 177.643 176.600 -0.532 0.000 1.012 196 E CA 1.781 57.328 56.400 -1.421 0.000 0.812 196 E CB -0.217 28.732 29.700 -1.251 0.000 0.743 196 E HN 0.825 nan 8.360 nan 0.000 0.453 197 F N 0.675 120.387 119.950 -0.397 0.000 2.102 197 F HA -0.147 4.392 4.527 0.020 0.000 0.298 197 F C 2.059 177.742 175.800 -0.196 0.000 1.105 197 F CA 1.697 59.546 58.000 -0.252 0.000 1.239 197 F CB -0.364 38.526 39.000 -0.184 0.000 0.991 197 F HN -0.016 nan 8.300 nan 0.000 0.474 198 A N -0.705 121.985 122.820 -0.217 0.000 1.903 198 A HA -0.025 4.308 4.320 0.021 0.000 0.213 198 A C 2.150 179.639 177.584 -0.158 0.000 1.185 198 A CA 1.672 53.542 52.037 -0.279 0.000 0.628 198 A CB -1.313 17.685 19.000 -0.005 0.000 0.830 198 A HN 0.406 nan 8.150 nan 0.000 0.446 199 T N 0.457 115.009 114.554 -0.004 0.000 2.652 199 T HA -0.163 4.200 4.350 0.021 0.000 0.267 199 T C 1.923 176.548 174.700 -0.125 0.000 1.039 199 T CA 1.800 63.952 62.100 0.086 0.000 1.153 199 T CB -0.251 68.756 68.868 0.232 0.000 0.863 199 T HN 0.486 nan 8.240 nan 0.000 0.428 200 K N 0.827 121.111 120.400 -0.194 0.000 2.152 200 K HA -0.146 4.187 4.320 0.021 0.000 0.206 200 K C 2.527 178.994 176.600 -0.222 0.000 1.048 200 K CA 1.308 57.477 56.287 -0.198 0.000 0.933 200 K CB -0.157 32.227 32.500 -0.194 0.000 0.721 200 K HN 0.494 nan 8.250 nan 0.000 0.447 201 R N 0.734 121.007 120.500 -0.379 0.000 2.127 201 R HA -0.009 4.344 4.340 0.021 0.000 0.217 201 R C 2.342 178.577 176.300 -0.108 0.000 1.074 201 R CA 0.597 56.483 56.100 -0.357 0.000 0.991 201 R CB -0.644 29.216 30.300 -0.733 0.000 0.895 201 R HN 0.049 nan 8.270 nan 0.000 0.450 202 L N 1.559 122.758 121.223 -0.040 0.000 1.989 202 L HA -0.146 4.207 4.340 0.021 0.000 0.211 202 L C 2.153 179.044 176.870 0.035 0.000 1.071 202 L CA 1.558 56.488 54.840 0.149 0.000 0.749 202 L CB -0.269 41.925 42.059 0.225 0.000 0.890 202 L HN 0.028 nan 8.230 nan 0.000 0.431 203 V N 0.300 120.181 119.914 -0.054 0.000 2.295 203 V HA -0.315 3.818 4.120 0.021 0.000 0.246 203 V C 2.781 178.786 176.094 -0.148 0.000 1.049 203 V CA 2.244 64.461 62.300 -0.139 0.000 1.024 203 V CB -0.944 30.750 31.823 -0.214 0.000 0.648 203 V HN 0.603 nan 8.190 nan 0.000 0.447 204 R N -0.112 120.354 120.500 -0.057 0.000 2.133 204 R HA -0.257 4.096 4.340 0.021 0.000 0.247 204 R C 2.330 178.611 176.300 -0.032 0.000 1.151 204 R CA 2.444 58.571 56.100 0.044 0.000 0.971 204 R CB -0.349 30.019 30.300 0.113 0.000 0.866 204 R HN 0.544 nan 8.270 nan 0.000 0.447 205 M N -0.111 119.467 119.600 -0.036 0.000 2.132 205 M HA -0.110 4.382 4.480 0.021 0.000 0.263 205 M C 2.139 178.190 176.300 -0.416 0.000 1.065 205 M CA 2.017 57.275 55.300 -0.070 0.000 1.122 205 M CB -0.100 32.559 32.600 0.098 0.000 1.365 205 M HN 0.337 nan 8.290 nan 0.000 0.411 206 A N 0.606 122.999 122.820 -0.713 0.000 1.898 206 A HA -0.109 4.224 4.320 0.021 0.000 0.216 206 A C 1.945 179.208 177.584 -0.534 0.000 1.181 206 A CA 1.497 52.853 52.037 -1.134 0.000 0.620 206 A CB -0.900 17.615 19.000 -0.808 0.000 0.819 206 A HN 0.602 nan 8.150 nan 0.000 0.442 207 I N -1.099 119.202 120.570 -0.449 0.000 2.179 207 I HA -0.256 3.927 4.170 0.021 0.000 0.242 207 I C 2.747 178.561 176.117 -0.504 0.000 1.088 207 I CA 1.493 62.483 61.300 -0.516 0.000 1.357 207 I CB -0.331 37.190 38.000 -0.798 0.000 1.051 207 I HN 0.230 nan 8.210 nan 0.000 0.409 208 R N -0.323 119.918 120.500 -0.431 0.000 2.105 208 R HA -0.238 4.114 4.340 0.021 0.000 0.239 208 R C 2.320 178.543 176.300 -0.127 0.000 1.135 208 R CA 1.727 57.682 56.100 -0.242 0.000 0.967 208 R CB -0.541 29.737 30.300 -0.037 0.000 0.861 208 R HN 0.368 nan 8.270 nan 0.000 0.442 209 Y N 0.574 120.753 120.300 -0.202 0.000 2.145 209 Y HA -0.231 4.332 4.550 0.021 0.000 0.286 209 Y C 2.200 178.059 175.900 -0.067 0.000 1.145 209 Y CA 1.528 59.585 58.100 -0.071 0.000 1.148 209 Y CB -0.343 38.107 38.460 -0.017 0.000 0.981 209 Y HN 0.078 nan 8.280 nan 0.000 0.507 210 A N 0.353 123.181 122.820 0.013 0.000 1.877 210 A HA -0.181 4.152 4.320 0.021 0.000 0.216 210 A C 2.273 179.780 177.584 -0.128 0.000 1.186 210 A CA 1.993 54.013 52.037 -0.029 0.000 0.620 210 A CB -1.152 17.828 19.000 -0.034 0.000 0.822 210 A HN 0.578 nan 8.150 nan 0.000 0.443 211 I N -0.695 119.756 120.570 -0.198 0.000 2.163 211 I HA -0.242 3.941 4.170 0.021 0.000 0.243 211 I C 2.644 178.666 176.117 -0.158 0.000 1.085 211 I CA 1.736 62.914 61.300 -0.202 0.000 1.347 211 I CB -0.265 37.505 38.000 -0.383 0.000 1.044 211 I HN 0.406 nan 8.210 nan 0.000 0.408 212 E N 0.794 120.881 120.200 -0.189 0.000 2.208 212 E HA -0.145 4.218 4.350 0.021 0.000 0.193 212 E C 1.049 177.532 176.600 -0.196 0.000 0.988 212 E CA 0.879 57.179 56.400 -0.165 0.000 0.828 212 E CB 0.072 29.682 29.700 -0.150 0.000 0.763 212 E HN 0.537 nan 8.360 nan 0.000 0.478 213 N N 1.483 120.011 118.700 -0.287 0.000 2.204 213 N HA -0.019 4.734 4.740 0.021 0.000 0.219 213 N C -0.505 174.927 175.510 -0.130 0.000 1.151 213 N CA 0.142 53.039 53.050 -0.256 0.000 0.867 213 N CB 0.047 38.246 38.487 -0.478 0.000 1.043 213 N HN 0.283 nan 8.380 nan 0.000 0.516 214 N N 1.482 120.123 118.700 -0.098 0.000 2.689 214 N HA -0.214 4.539 4.740 0.021 0.000 0.263 214 N C -0.830 174.669 175.510 -0.017 0.000 0.987 214 N CA 0.513 53.535 53.050 -0.046 0.000 0.782 214 N CB -0.692 37.778 38.487 -0.027 0.000 0.903 214 N HN 0.101 nan 8.380 nan 0.000 0.547 215 R N 0.840 121.339 120.500 -0.001 0.000 2.560 215 R HA 0.199 4.551 4.340 0.021 0.000 0.270 215 R C 1.163 177.480 176.300 0.028 0.000 1.074 215 R CA -0.568 55.562 56.100 0.050 0.000 1.140 215 R CB 0.754 31.130 30.300 0.128 0.000 1.073 215 R HN 0.286 nan 8.270 nan 0.000 0.527 216 K N 0.063 120.482 120.400 0.032 0.000 2.262 216 K HA 0.027 4.360 4.320 0.021 0.000 0.200 216 K C 0.083 176.681 176.600 -0.004 0.000 1.049 216 K CA 0.455 56.742 56.287 -0.000 0.000 0.979 216 K CB 0.429 32.922 32.500 -0.011 0.000 0.773 216 K HN 0.704 nan 8.250 nan 0.000 0.474 217 S N -1.685 114.028 115.700 0.023 0.000 2.579 217 S HA 0.621 5.104 4.470 0.021 0.000 0.272 217 S C -1.151 173.474 174.600 0.042 0.000 1.141 217 S CA -1.024 57.188 58.200 0.020 0.000 0.843 217 S CB 2.024 65.228 63.200 0.007 0.000 1.122 217 S HN -0.221 nan 8.310 nan 0.000 0.468 218 V N 1.856 121.782 119.914 0.021 0.000 2.483 218 V HA 0.611 4.743 4.120 0.021 0.000 0.297 218 V C -0.495 175.611 176.094 0.020 0.000 1.027 218 V CA -0.379 61.926 62.300 0.008 0.000 0.855 218 V CB 1.765 33.548 31.823 -0.067 0.000 0.995 218 V HN 1.053 nan 8.190 nan 0.000 0.424 219 T N 6.422 121.007 114.554 0.051 0.000 2.779 219 T HA 0.623 4.986 4.350 0.021 0.000 0.280 219 T C -0.319 174.402 174.700 0.036 0.000 0.987 219 T CA -0.339 61.804 62.100 0.072 0.000 0.966 219 T CB 0.973 69.932 68.868 0.152 0.000 0.933 219 T HN 0.354 nan 8.240 nan 0.000 0.442 220 L N 3.484 124.720 121.223 0.021 0.000 2.265 220 L HA 0.580 4.933 4.340 0.021 0.000 0.288 220 L C -0.366 176.619 176.870 0.190 0.000 1.058 220 L CA -0.884 54.009 54.840 0.088 0.000 0.809 220 L CB 0.979 42.998 42.059 -0.066 0.000 1.179 220 L HN 0.317 nan 8.230 nan 0.000 0.429 221 V N 3.527 123.543 119.914 0.169 0.000 2.417 221 V HA 0.562 4.695 4.120 0.021 0.000 0.291 221 V C -0.297 175.827 176.094 0.049 0.000 1.024 221 V CA -0.513 61.808 62.300 0.034 0.000 0.861 221 V CB 1.267 33.014 31.823 -0.128 0.000 0.985 221 V HN 0.860 nan 8.190 nan 0.000 0.436 222 H N 3.412 122.450 119.070 -0.054 0.000 3.014 222 H HA 0.557 5.125 4.556 0.019 0.000 0.337 222 H C -1.264 174.032 175.328 -0.053 0.000 1.320 222 H CA -1.161 54.854 56.048 -0.055 0.000 1.128 222 H CB 2.301 32.097 29.762 0.058 0.000 1.862 222 H HN 0.369 nan 8.280 nan 0.000 0.536 223 K N 1.155 121.513 120.400 -0.069 0.000 3.010 223 K HA 0.318 4.650 4.320 0.021 0.000 0.211 223 K C 1.037 177.659 176.600 0.036 0.000 1.146 223 K CA 0.212 56.441 56.287 -0.097 0.000 1.070 223 K CB -0.267 32.183 32.500 -0.083 0.000 0.908 223 K HN 0.827 nan 8.250 nan 0.000 0.463 224 G N 0.671 109.655 108.800 0.307 0.000 2.679 224 G HA2 -0.193 3.779 3.960 0.021 0.000 0.212 224 G HA3 -0.193 3.779 3.960 0.021 0.000 0.212 224 G C 1.066 176.013 174.900 0.078 0.000 1.137 224 G CA 0.451 45.690 45.100 0.232 0.000 0.787 224 G HN 0.548 nan 8.290 nan 0.000 0.534 225 N N 0.729 119.466 118.700 0.061 0.000 2.376 225 N HA -0.043 4.710 4.740 0.021 0.000 0.177 225 N C 1.604 177.093 175.510 -0.036 0.000 1.024 225 N CA 0.682 53.736 53.050 0.006 0.000 0.893 225 N CB -0.110 38.382 38.487 0.009 0.000 0.980 225 N HN 0.260 nan 8.380 nan 0.000 0.439 226 I N 0.098 120.644 120.570 -0.039 0.000 3.172 226 I HA 0.202 4.385 4.170 0.021 0.000 0.278 226 I C 0.700 176.769 176.117 -0.080 0.000 1.174 226 I CA 0.452 61.720 61.300 -0.053 0.000 1.445 226 I CB -0.498 37.480 38.000 -0.036 0.000 1.175 226 I HN 0.031 nan 8.210 nan 0.000 0.447 227 M N 1.067 120.624 119.600 -0.071 0.000 2.628 227 M HA 0.214 4.707 4.480 0.021 0.000 0.327 227 M C 1.011 177.226 176.300 -0.141 0.000 1.223 227 M CA -0.123 55.124 55.300 -0.089 0.000 1.221 227 M CB 0.946 33.520 32.600 -0.043 0.000 1.202 227 M HN -0.100 nan 8.290 nan 0.000 0.473 228 K N 0.422 120.636 120.400 -0.309 0.000 2.057 228 K HA -0.120 4.212 4.320 0.021 0.000 0.207 228 K C 0.558 176.934 176.600 -0.374 0.000 1.049 228 K CA 1.705 57.721 56.287 -0.452 0.000 0.931 228 K CB 0.129 32.130 32.500 -0.832 0.000 0.714 228 K HN 0.517 nan 8.250 nan 0.000 0.440 229 Y N -0.396 119.870 120.300 -0.056 0.000 2.458 229 Y HA 0.092 4.645 4.550 0.004 0.000 0.256 229 Y C 1.863 177.724 175.900 -0.065 0.000 1.159 229 Y CA 0.351 58.405 58.100 -0.077 0.000 1.261 229 Y CB -0.180 38.257 38.460 -0.039 0.000 1.119 229 Y HN 0.152 nan 8.280 nan 0.000 0.524 230 T N -4.091 110.501 114.554 0.063 0.000 3.238 230 T HA 0.060 4.423 4.350 0.021 0.000 0.242 230 T C 1.524 176.245 174.700 0.036 0.000 0.980 230 T CA 0.194 62.334 62.100 0.066 0.000 1.235 230 T CB -0.068 68.844 68.868 0.073 0.000 1.069 230 T HN -0.046 nan 8.240 nan 0.000 0.407 231 E N 1.624 121.832 120.200 0.014 0.000 2.072 231 E HA 0.035 4.398 4.350 0.021 0.000 0.190 231 E C 2.451 179.081 176.600 0.050 0.000 0.982 231 E CA 1.299 57.727 56.400 0.047 0.000 0.803 231 E CB -0.724 29.000 29.700 0.039 0.000 0.755 231 E HN 0.651 nan 8.360 nan 0.000 0.453 232 G N 1.294 110.071 108.800 -0.038 0.000 2.422 232 G HA2 -0.179 3.794 3.960 0.021 0.000 0.218 232 G HA3 -0.179 3.794 3.960 0.021 0.000 0.218 232 G C 1.718 176.473 174.900 -0.243 0.000 1.140 232 G CA 0.968 45.991 45.100 -0.127 0.000 0.775 232 G HN 0.349 nan 8.290 nan 0.000 0.545 233 A N 0.311 122.935 122.820 -0.328 0.000 1.969 233 A HA 0.132 4.464 4.320 0.021 0.000 0.218 233 A C 2.089 179.294 177.584 -0.632 0.000 1.169 233 A CA 1.272 52.827 52.037 -0.803 0.000 0.635 233 A CB -0.482 17.784 19.000 -1.223 0.000 0.810 233 A HN 0.372 nan 8.150 nan 0.000 0.445 234 F N 0.769 120.549 119.950 -0.284 0.000 2.126 234 F HA -0.192 4.347 4.527 0.019 0.000 0.299 234 F C 2.364 178.105 175.800 -0.099 0.000 1.096 234 F CA 2.104 60.085 58.000 -0.032 0.000 1.255 234 F CB -0.161 38.846 39.000 0.011 0.000 0.997 234 F HN 0.232 nan 8.300 nan 0.000 0.479 235 R N 0.484 120.919 120.500 -0.109 0.000 2.070 235 R HA -0.173 4.180 4.340 0.021 0.000 0.232 235 R C 1.926 178.129 176.300 -0.162 0.000 1.138 235 R CA 2.223 58.167 56.100 -0.260 0.000 0.936 235 R CB -0.800 29.179 30.300 -0.534 0.000 0.839 235 R HN 0.216 nan 8.270 nan 0.000 0.429 236 D N -0.189 120.114 120.400 -0.162 0.000 2.133 236 D HA -0.224 4.429 4.640 0.021 0.000 0.195 236 D C 1.821 178.123 176.300 0.002 0.000 0.997 236 D CA 1.082 55.034 54.000 -0.080 0.000 0.840 236 D CB -0.424 40.239 40.800 -0.229 0.000 0.947 236 D HN 0.415 nan 8.370 nan 0.000 0.452 237 W N 1.207 122.465 121.300 -0.071 0.000 2.418 237 W HA 0.109 4.785 4.660 0.026 0.000 0.292 237 W C 2.538 178.946 176.519 -0.185 0.000 1.213 237 W CA 0.872 58.152 57.345 -0.108 0.000 1.283 237 W CB -1.326 28.066 29.460 -0.114 0.000 1.119 237 W HN 0.032 nan 8.180 nan 0.000 0.542 238 G N -0.900 107.812 108.800 -0.148 0.000 2.422 238 G HA2 -0.281 3.692 3.960 0.021 0.000 0.218 238 G HA3 -0.281 3.692 3.960 0.021 0.000 0.218 238 G C 1.394 176.192 174.900 -0.170 0.000 1.146 238 G CA 0.756 45.678 45.100 -0.297 0.000 0.769 238 G HN 0.239 nan 8.290 nan 0.000 0.547 239 Y N 0.913 121.185 120.300 -0.047 0.000 2.163 239 Y HA -0.069 4.493 4.550 0.020 0.000 0.288 239 Y C 3.003 178.925 175.900 0.036 0.000 1.136 239 Y CA 1.413 59.509 58.100 -0.005 0.000 1.147 239 Y CB 0.016 38.467 38.460 -0.016 0.000 0.987 239 Y HN 0.259 nan 8.280 nan 0.000 0.509 240 E N -0.396 119.935 120.200 0.218 0.000 2.114 240 E HA -0.289 4.074 4.350 0.021 0.000 0.199 240 E C 2.280 178.964 176.600 0.140 0.000 1.008 240 E CA 1.840 58.340 56.400 0.167 0.000 0.810 240 E CB -0.542 29.268 29.700 0.183 0.000 0.739 240 E HN 0.420 nan 8.360 nan 0.000 0.456 241 V N 0.678 120.665 119.914 0.122 0.000 2.358 241 V HA -0.173 3.960 4.120 0.021 0.000 0.246 241 V C 2.181 178.432 176.094 0.263 0.000 1.047 241 V CA 2.024 64.412 62.300 0.147 0.000 1.035 241 V CB -0.317 31.574 31.823 0.113 0.000 0.658 241 V HN 0.268 nan 8.190 nan 0.000 0.452 242 A N 0.071 123.020 122.820 0.214 0.000 1.877 242 A HA -0.210 4.122 4.320 0.021 0.000 0.216 242 A C 2.244 179.983 177.584 0.258 0.000 1.186 242 A CA 2.365 54.553 52.037 0.252 0.000 0.620 242 A CB -0.690 18.408 19.000 0.163 0.000 0.822 242 A HN 0.588 nan 8.150 nan 0.000 0.443 243 K N -0.349 120.172 120.400 0.201 0.000 2.007 243 K HA -0.042 4.290 4.320 0.021 0.000 0.206 243 K C 2.194 178.864 176.600 0.116 0.000 1.047 243 K CA 1.867 58.245 56.287 0.151 0.000 0.937 243 K CB -0.370 32.205 32.500 0.125 0.000 0.718 243 K HN 0.561 nan 8.250 nan 0.000 0.438 244 Q N -0.233 119.626 119.800 0.098 0.000 2.187 244 Q HA -0.028 4.325 4.340 0.021 0.000 0.199 244 Q C 1.149 177.149 176.000 -0.000 0.000 0.957 244 Q CA 1.365 57.197 55.803 0.048 0.000 0.857 244 Q CB 0.289 29.052 28.738 0.042 0.000 0.929 244 Q HN 0.378 nan 8.270 nan 0.000 0.453 245 E N -1.291 118.899 120.200 -0.016 0.000 2.511 245 E HA 0.090 4.453 4.350 0.021 0.000 0.209 245 E C -0.338 175.966 176.600 -0.493 0.000 0.986 245 E CA 0.043 56.279 56.400 -0.274 0.000 0.974 245 E CB 0.715 30.166 29.700 -0.416 0.000 1.030 245 E HN 0.194 nan 8.360 nan 0.000 0.490 246 F N -0.379 119.643 119.950 0.120 0.000 2.739 246 F HA 0.290 4.829 4.527 0.021 0.000 0.366 246 F C 1.537 177.464 175.800 0.212 0.000 1.279 246 F CA -0.508 57.629 58.000 0.229 0.000 1.151 246 F CB 0.934 40.041 39.000 0.179 0.000 1.132 246 F HN -0.028 nan 8.300 nan 0.000 0.511 247 G N -0.210 108.718 108.800 0.214 0.000 2.470 247 G HA2 -0.219 3.753 3.960 0.021 0.000 0.220 247 G HA3 -0.219 3.753 3.960 0.021 0.000 0.220 247 G C 1.636 176.562 174.900 0.043 0.000 1.121 247 G CA 0.723 45.896 45.100 0.121 0.000 0.766 247 G HN 0.327 nan 8.290 nan 0.000 0.553 248 E N -0.014 120.151 120.200 -0.058 0.000 2.077 248 E HA -0.143 4.220 4.350 0.021 0.000 0.193 248 E C 1.853 178.217 176.600 -0.392 0.000 0.989 248 E CA 1.103 57.284 56.400 -0.365 0.000 0.800 248 E CB -0.097 29.134 29.700 -0.780 0.000 0.746 248 E HN 0.631 nan 8.360 nan 0.000 0.452 249 Y N -1.101 119.269 120.300 0.118 0.000 2.522 249 Y HA 0.181 4.744 4.550 0.021 0.000 0.277 249 Y C 1.193 177.124 175.900 0.052 0.000 1.104 249 Y CA -0.315 57.832 58.100 0.078 0.000 1.260 249 Y CB 0.250 38.763 38.460 0.087 0.000 1.151 249 Y HN -0.082 nan 8.280 nan 0.000 0.539 250 C N 3.156 122.603 119.300 0.246 0.000 2.329 250 C HA 0.670 5.143 4.460 0.021 0.000 0.329 250 C C 0.214 175.284 174.990 0.132 0.000 1.275 250 C CA -1.337 57.780 59.018 0.164 0.000 1.726 250 C CB -0.608 27.236 27.740 0.172 0.000 2.291 250 C HN 0.322 nan 8.230 nan 0.000 0.514 251 I N 0.989 121.621 120.570 0.104 0.000 2.646 251 I HA 0.712 4.894 4.170 0.021 0.000 0.299 251 I C 0.399 176.583 176.117 0.112 0.000 1.036 251 I CA -0.176 61.188 61.300 0.108 0.000 1.074 251 I CB 2.000 40.066 38.000 0.111 0.000 1.258 251 I HN 0.659 nan 8.210 nan 0.000 0.430 252 T N 0.263 114.886 114.554 0.115 0.000 2.729 252 T HA 0.243 4.606 4.350 0.021 0.000 0.298 252 T C 0.710 175.474 174.700 0.107 0.000 1.013 252 T CA 0.002 62.181 62.100 0.131 0.000 0.957 252 T CB 1.090 69.984 68.868 0.043 0.000 1.130 252 T HN 0.820 nan 8.240 nan 0.000 0.526 253 E N -0.289 119.991 120.200 0.134 0.000 2.170 253 E HA -0.091 4.272 4.350 0.021 0.000 0.191 253 E C 1.789 178.519 176.600 0.216 0.000 0.981 253 E CA 0.421 56.914 56.400 0.155 0.000 0.830 253 E CB 0.016 29.848 29.700 0.220 0.000 0.775 253 E HN 0.597 nan 8.360 nan 0.000 0.470 254 D N 1.111 121.605 120.400 0.158 0.000 2.116 254 D HA -0.196 4.457 4.640 0.021 0.000 0.193 254 D C 1.704 178.088 176.300 0.140 0.000 0.998 254 D CA 1.124 55.213 54.000 0.148 0.000 0.836 254 D CB 0.005 40.842 40.800 0.062 0.000 0.951 254 D HN 0.260 nan 8.370 nan 0.000 0.449 255 E N 0.305 120.563 120.200 0.096 0.000 2.110 255 E HA -0.171 4.192 4.350 0.021 0.000 0.193 255 E C 2.274 178.943 176.600 0.115 0.000 0.988 255 E CA 0.263 56.719 56.400 0.093 0.000 0.804 255 E CB -0.149 29.610 29.700 0.100 0.000 0.745 255 E HN 0.184 nan 8.360 nan 0.000 0.458 256 L N -0.182 121.070 121.223 0.047 0.000 2.017 256 L HA -0.161 4.191 4.340 0.021 0.000 0.208 256 L C 1.921 178.693 176.870 -0.163 0.000 1.073 256 L CA 1.840 56.613 54.840 -0.112 0.000 0.745 256 L CB -0.486 41.360 42.059 -0.356 0.000 0.894 256 L HN 0.135 nan 8.230 nan 0.000 0.432 257 W N -0.103 121.244 121.300 0.078 0.000 2.441 257 W HA -0.085 4.588 4.660 0.021 0.000 0.302 257 W C 2.380 178.923 176.519 0.039 0.000 1.191 257 W CA 0.760 58.138 57.345 0.054 0.000 1.327 257 W CB -0.258 29.222 29.460 0.034 0.000 1.128 257 W HN 0.180 nan 8.180 nan 0.000 0.522 258 D N 0.213 120.757 120.400 0.240 0.000 2.106 258 D HA -0.145 4.508 4.640 0.021 0.000 0.203 258 D C 1.778 178.103 176.300 0.043 0.000 0.977 258 D CA 1.434 55.509 54.000 0.126 0.000 0.844 258 D CB -0.902 39.950 40.800 0.086 0.000 1.002 258 D HN 0.147 nan 8.370 nan 0.000 0.461 259 K N -0.413 119.979 120.400 -0.013 0.000 2.103 259 K HA -0.113 4.220 4.320 0.021 0.000 0.204 259 K C 1.277 177.698 176.600 -0.298 0.000 1.052 259 K CA 0.996 57.179 56.287 -0.174 0.000 0.945 259 K CB -0.099 32.255 32.500 -0.243 0.000 0.722 259 K HN 0.069 nan 8.250 nan 0.000 0.443 260 Y N -0.363 119.924 120.300 -0.021 0.000 2.467 260 Y HA 0.290 4.852 4.550 0.021 0.000 0.250 260 Y C 1.273 177.143 175.900 -0.051 0.000 1.155 260 Y CA 0.150 58.220 58.100 -0.051 0.000 1.249 260 Y CB 1.160 39.565 38.460 -0.092 0.000 1.146 260 Y HN 0.369 nan 8.280 nan 0.000 0.524 261 G N -0.015 108.852 108.800 0.111 0.000 2.189 261 G HA2 -0.227 3.746 3.960 0.021 0.000 0.267 261 G HA3 -0.227 3.746 3.960 0.021 0.000 0.267 261 G C 1.281 176.258 174.900 0.129 0.000 0.975 261 G CA 0.493 45.676 45.100 0.139 0.000 0.644 261 G HN 1.169 nan 8.290 nan 0.000 0.537 262 G N -0.840 107.870 108.800 -0.150 0.000 2.179 262 G HA2 -0.043 3.930 3.960 0.021 0.000 0.220 262 G HA3 -0.043 3.930 3.960 0.021 0.000 0.220 262 G C 0.258 174.919 174.900 -0.399 0.000 0.990 262 G CA 1.091 45.771 45.100 -0.700 0.000 0.646 262 G HN 1.828 nan 8.290 nan 0.000 0.517 263 K N 0.457 120.759 120.400 -0.164 0.000 2.185 263 K HA 0.582 4.914 4.320 0.021 0.000 0.271 263 K C -0.241 176.230 176.600 -0.214 0.000 1.013 263 K CA -0.538 55.671 56.287 -0.130 0.000 0.943 263 K CB 0.964 33.443 32.500 -0.035 0.000 0.998 263 K HN -0.021 nan 8.250 nan 0.000 0.468 264 Q N 4.078 123.750 119.800 -0.213 0.000 2.503 264 Q HA 0.236 4.588 4.340 0.021 0.000 0.227 264 Q C -2.137 173.706 176.000 -0.261 0.000 1.109 264 Q CA -1.980 53.673 55.803 -0.250 0.000 0.922 264 Q CB 1.290 29.922 28.738 -0.176 0.000 1.249 264 Q HN 0.617 nan 8.270 nan 0.000 0.530 265 P HA 0.007 nan 4.420 nan 0.000 0.267 265 P C -0.034 177.142 177.300 -0.207 0.000 1.200 265 P CA -0.092 62.800 63.100 -0.347 0.000 0.772 265 P CB 0.842 32.182 31.700 -0.601 0.000 0.855 266 E N 0.690 120.814 120.200 -0.126 0.000 2.418 266 E HA 0.293 4.656 4.350 0.021 0.000 0.261 266 E C 1.553 178.114 176.600 -0.065 0.000 1.070 266 E CA 1.639 57.993 56.400 -0.077 0.000 0.931 266 E CB -0.315 29.357 29.700 -0.047 0.000 0.954 266 E HN 0.736 nan 8.360 nan 0.000 0.439 267 G N 3.316 112.098 108.800 -0.030 0.000 2.550 267 G HA2 -0.277 3.696 3.960 0.021 0.000 0.233 267 G HA3 -0.277 3.696 3.960 0.021 0.000 0.233 267 G C -0.156 174.760 174.900 0.027 0.000 1.170 267 G CA 0.468 45.575 45.100 0.011 0.000 0.693 267 G HN 0.452 nan 8.290 nan 0.000 0.512 268 K N 0.751 121.127 120.400 -0.041 0.000 2.270 268 K HA 0.586 4.918 4.320 0.021 0.000 0.276 268 K C -0.124 176.461 176.600 -0.024 0.000 1.023 268 K CA -0.220 56.046 56.287 -0.035 0.000 0.955 268 K CB 1.433 33.853 32.500 -0.133 0.000 0.975 268 K HN 0.323 nan 8.250 nan 0.000 0.471 269 I N 1.979 122.561 120.570 0.019 0.000 2.404 269 I HA 0.111 4.294 4.170 0.021 0.000 0.293 269 I C -0.212 175.906 176.117 0.003 0.000 0.992 269 I CA -0.794 60.506 61.300 0.001 0.000 1.149 269 I CB 1.830 39.828 38.000 -0.003 0.000 1.315 269 I HN 0.153 nan 8.210 nan 0.000 0.446 270 V N 6.983 126.890 119.914 -0.012 0.000 2.530 270 V HA 0.287 4.419 4.120 0.021 0.000 0.282 270 V C -0.061 176.053 176.094 0.034 0.000 1.048 270 V CA -0.500 61.804 62.300 0.006 0.000 0.997 270 V CB 1.394 33.203 31.823 -0.024 0.000 0.987 270 V HN 0.392 nan 8.190 nan 0.000 0.477 271 V N 6.847 126.808 119.914 0.079 0.000 2.357 271 V HA 0.492 4.625 4.120 0.021 0.000 0.284 271 V C 0.115 176.310 176.094 0.168 0.000 1.018 271 V CA -0.685 61.661 62.300 0.077 0.000 0.841 271 V CB 1.322 33.180 31.823 0.058 0.000 0.991 271 V HN 1.015 nan 8.190 nan 0.000 0.437 272 K N 3.477 123.948 120.400 0.117 0.000 2.378 272 K HA 0.825 5.158 4.320 0.021 0.000 0.244 272 K C -1.558 175.134 176.600 0.152 0.000 1.039 272 K CA -0.963 55.445 56.287 0.201 0.000 0.863 272 K CB 2.809 35.416 32.500 0.178 0.000 1.326 272 K HN 0.611 nan 8.250 nan 0.000 0.460 273 D N 0.105 120.652 120.400 0.246 0.000 2.645 273 D HA 0.417 5.069 4.640 0.021 0.000 0.228 273 D C -0.820 175.622 176.300 0.238 0.000 1.148 273 D CA -0.803 53.340 54.000 0.237 0.000 0.860 273 D CB 2.079 43.057 40.800 0.297 0.000 1.548 273 D HN 0.405 nan 8.370 nan 0.000 0.460 274 R N 0.999 121.595 120.500 0.159 0.000 2.698 274 R HA 0.398 4.750 4.340 0.021 0.000 0.275 274 R C -0.390 175.803 176.300 -0.179 0.000 1.001 274 R CA -0.897 55.218 56.100 0.025 0.000 0.896 274 R CB 1.986 32.282 30.300 -0.008 0.000 1.218 274 R HN 0.516 nan 8.270 nan 0.000 0.462 275 I N 2.122 122.562 120.570 -0.217 0.000 2.529 275 I HA 0.039 4.222 4.170 0.021 0.000 0.284 275 I C 1.765 177.733 176.117 -0.248 0.000 1.082 275 I CA 0.266 61.355 61.300 -0.352 0.000 1.406 275 I CB 0.962 38.844 38.000 -0.197 0.000 1.405 275 I HN 0.785 nan 8.210 nan 0.000 0.548 276 A N 6.086 128.752 122.820 -0.257 0.000 1.873 276 A HA -0.226 4.107 4.320 0.021 0.000 0.218 276 A C 1.766 179.330 177.584 -0.034 0.000 1.193 276 A CA 2.004 53.938 52.037 -0.171 0.000 0.629 276 A CB -0.637 18.282 19.000 -0.136 0.000 0.826 276 A HN 0.837 nan 8.150 nan 0.000 0.447 277 D N -0.247 120.188 120.400 0.058 0.000 2.309 277 D HA -0.176 4.477 4.640 0.021 0.000 0.212 277 D C 1.286 177.703 176.300 0.196 0.000 0.968 277 D CA 1.482 55.602 54.000 0.201 0.000 0.882 277 D CB -0.687 40.168 40.800 0.093 0.000 0.918 277 D HN 0.531 nan 8.370 nan 0.000 0.503 278 N N -0.796 117.936 118.700 0.055 0.000 2.392 278 N HA -0.042 4.711 4.740 0.021 0.000 0.177 278 N C 1.575 177.067 175.510 -0.030 0.000 1.066 278 N CA 0.164 53.234 53.050 0.032 0.000 0.895 278 N CB -0.112 38.375 38.487 -0.000 0.000 0.988 278 N HN -0.094 nan 8.380 nan 0.000 0.457 279 M N -0.284 119.210 119.600 -0.177 0.000 2.279 279 M HA -0.040 4.452 4.480 0.021 0.000 0.264 279 M C 0.846 176.912 176.300 -0.390 0.000 1.062 279 M CA 0.966 56.031 55.300 -0.392 0.000 1.099 279 M CB -1.008 31.246 32.600 -0.577 0.000 1.394 279 M HN 0.203 nan 8.290 nan 0.000 0.426 280 F N 0.096 120.001 119.950 -0.076 0.000 2.186 280 F HA -0.229 4.310 4.527 0.020 0.000 0.299 280 F C 2.683 178.473 175.800 -0.017 0.000 1.090 280 F CA 1.445 59.423 58.000 -0.036 0.000 1.307 280 F CB -0.804 38.187 39.000 -0.016 0.000 1.019 280 F HN 0.182 nan 8.300 nan 0.000 0.489 281 Q N 0.279 120.170 119.800 0.152 0.000 2.046 281 Q HA -0.192 4.160 4.340 0.021 0.000 0.200 281 Q C 2.171 178.211 176.000 0.067 0.000 0.975 281 Q CA 1.509 57.370 55.803 0.096 0.000 0.836 281 Q CB -0.256 28.530 28.738 0.080 0.000 0.896 281 Q HN 0.217 nan 8.270 nan 0.000 0.428 282 Q N 0.231 120.038 119.800 0.011 0.000 2.181 282 Q HA -0.132 4.221 4.340 0.021 0.000 0.205 282 Q C 2.150 178.198 176.000 0.081 0.000 0.980 282 Q CA 1.662 57.489 55.803 0.040 0.000 0.862 282 Q CB -0.401 28.260 28.738 -0.129 0.000 0.905 282 Q HN 0.785 nan 8.270 nan 0.000 0.429 283 I N -3.658 116.909 120.570 -0.004 0.000 3.059 283 I HA -0.056 4.127 4.170 0.021 0.000 0.270 283 I C 1.824 178.061 176.117 0.200 0.000 1.238 283 I CA 0.538 61.925 61.300 0.146 0.000 1.478 283 I CB -0.209 37.860 38.000 0.115 0.000 1.097 283 I HN 0.000 nan 8.210 nan 0.000 0.455 284 L N 1.225 122.531 121.223 0.137 0.000 2.168 284 L HA -0.020 4.333 4.340 0.021 0.000 0.203 284 L C 2.556 179.498 176.870 0.120 0.000 1.078 284 L CA 1.775 56.687 54.840 0.121 0.000 0.780 284 L CB -0.260 41.859 42.059 0.099 0.000 0.939 284 L HN 0.413 nan 8.230 nan 0.000 0.451 285 T N -4.332 110.294 114.554 0.120 0.000 2.990 285 T HA 0.123 4.486 4.350 0.021 0.000 0.250 285 T C 1.383 176.153 174.700 0.117 0.000 1.041 285 T CA -0.175 61.987 62.100 0.104 0.000 1.010 285 T CB 0.198 69.116 68.868 0.084 0.000 1.003 285 T HN 0.115 nan 8.240 nan 0.000 0.499 286 R N 1.167 121.774 120.500 0.178 0.000 2.700 286 R HA 0.285 4.638 4.340 0.021 0.000 0.399 286 R C 0.908 177.368 176.300 0.266 0.000 1.115 286 R CA -0.023 56.190 56.100 0.187 0.000 1.058 286 R CB 0.082 30.501 30.300 0.199 0.000 1.389 286 R HN 0.246 nan 8.270 nan 0.000 0.582 287 T N 0.910 115.624 114.554 0.267 0.000 2.685 287 T HA -0.242 4.121 4.350 0.021 0.000 0.268 287 T C 1.437 176.337 174.700 0.335 0.000 1.034 287 T CA 1.573 63.893 62.100 0.367 0.000 1.149 287 T CB -0.145 68.863 68.868 0.233 0.000 0.860 287 T HN 0.283 nan 8.240 nan 0.000 0.449 288 D N 1.117 121.617 120.400 0.166 0.000 2.244 288 D HA -0.156 4.497 4.640 0.021 0.000 0.197 288 D C 1.770 178.096 176.300 0.042 0.000 1.006 288 D CA 1.254 55.308 54.000 0.089 0.000 0.888 288 D CB -0.074 40.747 40.800 0.034 0.000 0.912 288 D HN 0.601 nan 8.370 nan 0.000 0.452 289 E N -1.782 118.378 120.200 -0.067 0.000 2.474 289 E HA 0.012 4.374 4.350 0.021 0.000 0.195 289 E C -0.390 175.845 176.600 -0.608 0.000 1.039 289 E CA -0.130 56.044 56.400 -0.376 0.000 0.881 289 E CB 0.489 29.850 29.700 -0.564 0.000 0.970 289 E HN 0.302 nan 8.360 nan 0.000 0.486 290 Y N -0.104 120.265 120.300 0.114 0.000 2.391 290 Y HA 0.217 4.780 4.550 0.021 0.000 0.341 290 Y C 0.015 176.035 175.900 0.200 0.000 0.965 290 Y CA -0.908 57.222 58.100 0.049 0.000 1.067 290 Y CB 1.678 40.025 38.460 -0.189 0.000 1.199 290 Y HN -0.139 nan 8.280 nan 0.000 0.450 291 D N 0.237 120.807 120.400 0.284 0.000 3.136 291 D HA 0.159 4.812 4.640 0.021 0.000 0.254 291 D C -0.678 175.805 176.300 0.305 0.000 1.563 291 D CA 0.148 54.339 54.000 0.318 0.000 1.225 291 D CB 0.097 41.029 40.800 0.221 0.000 1.079 291 D HN 0.175 nan 8.370 nan 0.000 0.314 292 V N 2.236 122.289 119.914 0.232 0.000 2.432 292 V HA 0.374 4.506 4.120 0.021 0.000 0.275 292 V C -0.189 175.992 176.094 0.145 0.000 1.043 292 V CA -0.386 62.051 62.300 0.228 0.000 0.925 292 V CB 1.080 33.033 31.823 0.217 0.000 0.985 292 V HN 0.151 nan 8.190 nan 0.000 0.466 293 I N 4.070 124.726 120.570 0.142 0.000 2.465 293 I HA 0.741 4.923 4.170 0.021 0.000 0.291 293 I C 0.071 176.266 176.117 0.130 0.000 1.014 293 I CA -0.634 60.699 61.300 0.055 0.000 1.093 293 I CB 1.984 39.926 38.000 -0.096 0.000 1.267 293 I HN 0.640 nan 8.210 nan 0.000 0.431 294 A N 7.615 130.504 122.820 0.114 0.000 2.318 294 A HA 0.926 5.259 4.320 0.021 0.000 0.317 294 A C -1.072 176.665 177.584 0.255 0.000 1.159 294 A CA -0.334 51.821 52.037 0.197 0.000 0.799 294 A CB 0.831 19.912 19.000 0.135 0.000 1.194 294 A HN 0.578 nan 8.150 nan 0.000 0.479 295 L N 2.638 123.960 121.223 0.165 0.000 2.424 295 L HA 0.589 4.942 4.340 0.021 0.000 0.258 295 L C -2.605 173.979 176.870 -0.476 0.000 0.995 295 L CA -1.756 52.977 54.840 -0.179 0.000 0.821 295 L CB 2.002 43.955 42.059 -0.176 0.000 1.383 295 L HN 0.360 nan 8.230 nan 0.000 0.410 296 P HA 0.126 nan 4.420 nan 0.000 0.274 296 P C 0.141 177.190 177.300 -0.417 0.000 1.264 296 P CA -0.240 62.426 63.100 -0.724 0.000 0.795 296 P CB 0.550 31.826 31.700 -0.707 0.000 1.064 297 N N -0.147 118.333 118.700 -0.366 0.000 2.039 297 N HA -0.141 4.612 4.740 0.021 0.000 0.193 297 N C 1.525 176.623 175.510 -0.688 0.000 1.044 297 N CA 1.378 54.163 53.050 -0.440 0.000 0.847 297 N CB -1.058 37.175 38.487 -0.423 0.000 1.030 297 N HN 0.182 nan 8.380 nan 0.000 0.422 298 L N 1.914 122.665 121.223 -0.787 0.000 1.989 298 L HA -0.124 4.228 4.340 0.021 0.000 0.211 298 L C 1.667 178.221 176.870 -0.527 0.000 1.071 298 L CA 1.753 56.119 54.840 -0.790 0.000 0.749 298 L CB -1.225 40.490 42.059 -0.574 0.000 0.890 298 L HN 0.185 nan 8.230 nan 0.000 0.431 299 N N 0.017 118.469 118.700 -0.414 0.000 2.166 299 N HA -0.122 4.631 4.740 0.021 0.000 0.186 299 N C 1.810 177.216 175.510 -0.172 0.000 1.019 299 N CA 1.316 54.203 53.050 -0.271 0.000 0.856 299 N CB -0.920 37.407 38.487 -0.265 0.000 0.993 299 N HN 0.529 nan 8.380 nan 0.000 0.426 300 G N 0.634 109.308 108.800 -0.209 0.000 2.469 300 G HA2 -0.311 3.662 3.960 0.021 0.000 0.219 300 G HA3 -0.311 3.662 3.960 0.021 0.000 0.219 300 G C 1.387 176.266 174.900 -0.035 0.000 1.150 300 G CA 1.229 46.252 45.100 -0.129 0.000 0.763 300 G HN 0.321 nan 8.290 nan 0.000 0.561 301 D N -0.654 119.744 120.400 -0.004 0.000 2.084 301 D HA -0.079 4.574 4.640 0.021 0.000 0.196 301 D C 2.236 178.712 176.300 0.293 0.000 0.985 301 D CA 0.798 54.897 54.000 0.165 0.000 0.826 301 D CB -0.370 40.605 40.800 0.290 0.000 0.978 301 D HN 0.511 nan 8.370 nan 0.000 0.456 302 Y N -0.343 120.002 120.300 0.075 0.000 2.097 302 Y HA -0.182 4.381 4.550 0.022 0.000 0.282 302 Y C 2.349 178.374 175.900 0.207 0.000 1.152 302 Y CA 0.360 58.562 58.100 0.170 0.000 1.136 302 Y CB -0.209 38.403 38.460 0.254 0.000 0.975 302 Y HN 0.068 nan 8.280 nan 0.000 0.498 303 L N 0.280 121.636 121.223 0.221 0.000 2.046 303 L HA -0.206 4.147 4.340 0.021 0.000 0.208 303 L C 2.606 179.491 176.870 0.025 0.000 1.077 303 L CA 2.195 57.004 54.840 -0.051 0.000 0.747 303 L CB -0.941 40.938 42.059 -0.300 0.000 0.896 303 L HN 0.241 nan 8.230 nan 0.000 0.432 304 S N -1.725 114.003 115.700 0.047 0.000 2.387 304 S HA -0.138 4.345 4.470 0.021 0.000 0.226 304 S C 1.680 176.324 174.600 0.074 0.000 1.026 304 S CA 0.951 59.184 58.200 0.055 0.000 0.972 304 S CB -0.629 62.586 63.200 0.025 0.000 0.814 304 S HN 0.487 nan 8.310 nan 0.000 0.477 305 D N 2.490 122.945 120.400 0.092 0.000 2.144 305 D HA 0.086 4.739 4.640 0.021 0.000 0.199 305 D C 2.273 178.626 176.300 0.088 0.000 0.984 305 D CA 1.398 55.443 54.000 0.075 0.000 0.834 305 D CB -0.725 40.111 40.800 0.060 0.000 0.955 305 D HN 0.572 nan 8.370 nan 0.000 0.465 306 A N 1.000 123.909 122.820 0.148 0.000 1.902 306 A HA -0.030 4.303 4.320 0.021 0.000 0.217 306 A C 2.302 179.968 177.584 0.137 0.000 1.181 306 A CA 2.097 54.241 52.037 0.178 0.000 0.623 306 A CB -0.662 18.563 19.000 0.374 0.000 0.818 306 A HN 0.236 nan 8.150 nan 0.000 0.443 307 A N -0.219 122.683 122.820 0.136 0.000 1.930 307 A HA 0.218 4.551 4.320 0.021 0.000 0.217 307 A C 2.465 180.094 177.584 0.074 0.000 1.175 307 A CA 1.847 53.981 52.037 0.162 0.000 0.627 307 A CB -0.907 18.264 19.000 0.284 0.000 0.815 307 A HN 1.022 nan 8.150 nan 0.000 0.443 308 A N -0.063 122.786 122.820 0.048 0.000 1.933 308 A HA 0.169 4.502 4.320 0.021 0.000 0.218 308 A C 2.439 180.030 177.584 0.012 0.000 1.175 308 A CA 1.906 53.946 52.037 0.005 0.000 0.628 308 A CB -0.888 18.112 19.000 0.000 0.000 0.814 308 A HN 1.041 nan 8.150 nan 0.000 0.444 309 A N -0.155 122.682 122.820 0.028 0.000 2.019 309 A HA 0.003 4.336 4.320 0.021 0.000 0.219 309 A C 2.061 179.653 177.584 0.015 0.000 1.164 309 A CA 1.345 53.394 52.037 0.020 0.000 0.644 309 A CB -0.560 18.454 19.000 0.023 0.000 0.805 309 A HN 0.500 nan 8.150 nan 0.000 0.449 310 L N -1.598 119.637 121.223 0.021 0.000 2.141 310 L HA -0.057 4.295 4.340 0.021 0.000 0.209 310 L C 1.860 178.724 176.870 -0.010 0.000 1.094 310 L CA 0.811 55.652 54.840 0.001 0.000 0.763 310 L CB -0.294 41.772 42.059 0.011 0.000 0.908 310 L HN 0.289 nan 8.230 nan 0.000 0.437 311 I N -0.762 119.820 120.570 0.019 0.000 3.976 311 I HA 0.185 4.368 4.170 0.021 0.000 0.337 311 I C 1.210 177.403 176.117 0.126 0.000 1.359 311 I CA 0.444 61.799 61.300 0.093 0.000 1.098 311 I CB 0.574 38.592 38.000 0.030 0.000 1.027 311 I HN 0.236 nan 8.210 nan 0.000 0.394 312 G N -0.655 108.184 108.800 0.065 0.000 2.260 312 G HA2 0.172 4.145 3.960 0.021 0.000 0.179 312 G HA3 0.172 4.145 3.960 0.021 0.000 0.179 312 G C 0.712 175.618 174.900 0.010 0.000 1.002 312 G CA -0.324 44.804 45.100 0.047 0.000 0.677 312 G HN 0.994 nan 8.290 nan 0.000 0.486 313 G N -1.411 107.391 108.800 0.004 0.000 2.603 313 G HA2 0.201 4.173 3.960 0.021 0.000 0.686 313 G HA3 0.201 4.173 3.960 0.021 0.000 0.686 313 G C 0.415 175.315 174.900 -0.001 0.000 1.286 313 G CA -0.056 45.045 45.100 0.002 0.000 0.871 313 G HN 1.260 nan 8.290 nan 0.000 0.568 314 L N 1.324 122.554 121.223 0.013 0.000 2.072 314 L HA 0.260 4.613 4.340 0.021 0.000 0.205 314 L C 3.054 179.955 176.870 0.052 0.000 1.079 314 L CA 3.240 58.095 54.840 0.026 0.000 0.752 314 L CB -0.834 41.249 42.059 0.040 0.000 0.906 314 L HN 1.284 nan 8.230 nan 0.000 0.436 315 G N 0.241 109.076 108.800 0.059 0.000 2.532 315 G HA2 -0.280 3.693 3.960 0.021 0.000 0.222 315 G HA3 -0.280 3.693 3.960 0.021 0.000 0.222 315 G C 1.271 176.236 174.900 0.108 0.000 1.102 315 G CA 1.328 46.484 45.100 0.093 0.000 0.742 315 G HN 0.656 nan 8.290 nan 0.000 0.577 316 I N -2.708 117.882 120.570 0.034 0.000 3.936 316 I HA 0.706 4.889 4.170 0.021 0.000 0.330 316 I C 0.726 176.819 176.117 -0.040 0.000 1.509 316 I CA -0.755 60.547 61.300 0.003 0.000 1.126 316 I CB 0.706 38.689 38.000 -0.029 0.000 1.115 316 I HN 0.006 nan 8.210 nan 0.000 0.424 317 A N 3.370 126.167 122.820 -0.039 0.000 2.320 317 A HA 0.704 5.037 4.320 0.021 0.000 0.287 317 A C -2.596 174.934 177.584 -0.091 0.000 1.181 317 A CA -1.359 50.629 52.037 -0.083 0.000 0.831 317 A CB -0.157 18.808 19.000 -0.059 0.000 1.102 317 A HN 0.207 nan 8.150 nan 0.000 0.513 318 P HA 0.452 nan 4.420 nan 0.000 0.292 318 P C 0.093 177.366 177.300 -0.046 0.000 1.287 318 P CA 0.135 63.201 63.100 -0.056 0.000 0.800 318 P CB 1.782 33.476 31.700 -0.009 0.000 0.945 319 G N 0.885 109.661 108.800 -0.041 0.000 2.788 319 G HA2 0.675 4.647 3.960 0.021 0.000 0.293 319 G HA3 0.675 4.647 3.960 0.021 0.000 0.293 319 G C -1.245 173.632 174.900 -0.038 0.000 1.305 319 G CA -0.846 44.221 45.100 -0.055 0.000 1.005 319 G HN 0.648 nan 8.290 nan 0.000 0.496 320 S N -0.590 115.021 115.700 -0.149 0.000 2.542 320 S HA 0.481 4.964 4.470 0.021 0.000 0.276 320 S C -1.881 172.499 174.600 -0.367 0.000 1.148 320 S CA -0.935 57.065 58.200 -0.335 0.000 0.886 320 S CB 1.815 64.832 63.200 -0.306 0.000 1.109 320 S HN 0.523 nan 8.310 nan 0.000 0.458 321 N N 2.666 121.082 118.700 -0.475 0.000 2.442 321 N HA 0.546 5.299 4.740 0.021 0.000 0.274 321 N C -1.284 173.933 175.510 -0.488 0.000 1.002 321 N CA -0.331 52.492 53.050 -0.378 0.000 0.910 321 N CB 1.497 39.833 38.487 -0.251 0.000 1.244 321 N HN 0.652 nan 8.380 nan 0.000 0.492 322 I N 0.651 120.950 120.570 -0.452 0.000 2.608 322 I HA 0.541 4.724 4.170 0.021 0.000 0.295 322 I C 0.769 176.549 176.117 -0.562 0.000 1.049 322 I CA -0.725 60.273 61.300 -0.503 0.000 1.063 322 I CB 2.343 40.056 38.000 -0.478 0.000 1.248 322 I HN 0.442 nan 8.210 nan 0.000 0.424 323 G N 2.826 111.337 108.800 -0.483 0.000 3.247 323 G HA2 0.309 4.282 3.960 0.021 0.000 0.199 323 G HA3 0.309 4.282 3.960 0.021 0.000 0.199 323 G C -1.221 173.539 174.900 -0.233 0.000 1.172 323 G CA -0.316 44.440 45.100 -0.573 0.000 0.844 323 G HN 0.466 nan 8.290 nan 0.000 0.619 324 D N 0.920 121.313 120.400 -0.011 0.000 2.393 324 D HA 0.417 5.069 4.640 0.021 0.000 0.232 324 D C 1.136 177.171 176.300 -0.442 0.000 1.192 324 D CA 1.076 55.072 54.000 -0.008 0.000 0.882 324 D CB 0.582 41.519 40.800 0.228 0.000 1.038 324 D HN 0.960 nan 8.370 nan 0.000 0.499 325 G N 2.698 111.097 108.800 -0.669 0.000 2.198 325 G HA2 -0.275 3.698 3.960 0.021 0.000 0.260 325 G HA3 -0.275 3.698 3.960 0.021 0.000 0.260 325 G C 0.237 174.946 174.900 -0.318 0.000 1.025 325 G CA 0.333 44.805 45.100 -1.047 0.000 0.769 325 G HN 0.573 nan 8.290 nan 0.000 0.507 326 I N -1.114 119.423 120.570 -0.054 0.000 2.787 326 I HA 0.707 4.890 4.170 0.021 0.000 0.294 326 I C -0.160 175.876 176.117 -0.136 0.000 1.365 326 I CA -0.208 61.087 61.300 -0.009 0.000 1.029 326 I CB 1.991 39.960 38.000 -0.052 0.000 1.313 326 I HN 0.535 nan 8.210 nan 0.000 0.431 327 G N 5.455 114.137 108.800 -0.197 0.000 2.742 327 G HA2 0.629 4.601 3.960 0.021 0.000 0.296 327 G HA3 0.629 4.601 3.960 0.021 0.000 0.296 327 G C -2.302 172.321 174.900 -0.461 0.000 1.436 327 G CA -0.475 44.277 45.100 -0.581 0.000 0.928 327 G HN 0.475 nan 8.290 nan 0.000 0.520 328 V N 1.133 120.631 119.914 -0.693 0.000 2.638 328 V HA 0.633 4.766 4.120 0.021 0.000 0.306 328 V C -1.279 174.420 176.094 -0.657 0.000 1.052 328 V CA -0.647 61.402 62.300 -0.418 0.000 0.885 328 V CB 1.660 33.359 31.823 -0.207 0.000 0.999 328 V HN 0.616 nan 8.190 nan 0.000 0.424 329 F N 4.869 124.749 119.950 -0.117 0.000 2.445 329 F HA 0.637 5.177 4.527 0.022 0.000 0.348 329 F C 0.244 175.962 175.800 -0.135 0.000 1.125 329 F CA -0.422 57.504 58.000 -0.123 0.000 0.983 329 F CB 1.587 40.529 39.000 -0.097 0.000 1.198 329 F HN 0.543 nan 8.300 nan 0.000 0.436 330 E N 4.639 124.831 120.200 -0.013 0.000 2.393 330 E HA 0.498 4.861 4.350 0.021 0.000 0.273 330 E C -3.362 173.171 176.600 -0.111 0.000 0.918 330 E CA -2.559 53.798 56.400 -0.071 0.000 0.773 330 E CB 2.277 31.923 29.700 -0.090 0.000 1.275 330 E HN 0.101 nan 8.360 nan 0.000 0.451 331 P HA -0.027 nan 4.420 nan 0.000 0.268 331 P C 1.226 178.367 177.300 -0.265 0.000 1.208 331 P CA -0.210 62.694 63.100 -0.326 0.000 0.777 331 P CB 0.665 31.908 31.700 -0.762 0.000 0.875 332 V N 0.630 120.436 119.914 -0.180 0.000 2.594 332 V HA -0.179 3.954 4.120 0.021 0.000 0.253 332 V C 1.428 177.501 176.094 -0.035 0.000 1.069 332 V CA 1.653 63.903 62.300 -0.083 0.000 1.082 332 V CB -2.105 29.698 31.823 -0.035 0.000 0.680 332 V HN 0.733 nan 8.190 nan 0.000 0.469 333 H N 0.366 119.437 119.070 0.002 0.000 2.771 333 H HA 0.487 5.056 4.556 0.021 0.000 0.364 333 H C 0.718 176.049 175.328 0.004 0.000 1.133 333 H CA -0.354 55.699 56.048 0.008 0.000 1.423 333 H CB 0.072 29.842 29.762 0.014 0.000 1.425 333 H HN 0.109 nan 8.280 nan 0.000 0.606 334 G N 0.131 109.081 108.800 0.251 0.000 2.468 334 G HA2 0.208 4.181 3.960 0.021 0.000 0.264 334 G HA3 0.208 4.181 3.960 0.021 0.000 0.264 334 G C 0.654 175.651 174.900 0.162 0.000 1.460 334 G CA -0.073 45.112 45.100 0.141 0.000 1.060 334 G HN 0.932 nan 8.290 nan 0.000 0.543 335 S N -1.573 114.167 115.700 0.067 0.000 2.539 335 S HA 0.478 4.961 4.470 0.021 0.000 0.221 335 S C 1.163 175.785 174.600 0.036 0.000 0.987 335 S CA 0.923 59.164 58.200 0.068 0.000 0.929 335 S CB -0.198 63.040 63.200 0.063 0.000 0.832 335 S HN 2.001 nan 8.310 nan 0.000 0.492 336 A N 3.736 126.552 122.820 -0.008 0.000 1.596 336 A HA -0.057 4.276 4.320 0.021 0.000 0.331 336 A C -0.373 177.141 177.584 -0.117 0.000 0.991 336 A CA 0.319 52.328 52.037 -0.046 0.000 1.487 336 A CB -0.938 18.037 19.000 -0.042 0.000 0.709 336 A HN 0.475 nan 8.150 nan 0.000 0.181 337 P HA -0.305 nan 4.420 nan 0.000 0.214 337 P C 1.385 178.340 177.300 -0.575 0.000 1.164 337 P CA 2.278 65.218 63.100 -0.266 0.000 0.942 337 P CB -0.042 31.551 31.700 -0.179 0.000 0.791 338 K N -0.097 120.030 120.400 -0.455 0.000 2.103 338 K HA -0.175 4.158 4.320 0.021 0.000 0.204 338 K C 1.067 177.283 176.600 -0.640 0.000 1.052 338 K CA 1.132 57.120 56.287 -0.500 0.000 0.945 338 K CB -1.485 30.877 32.500 -0.230 0.000 0.722 338 K HN 0.112 nan 8.250 nan 0.000 0.443 339 Y N -1.120 119.107 120.300 -0.122 0.000 3.316 339 Y HA -0.316 4.247 4.550 0.021 0.000 0.215 339 Y C 0.677 176.434 175.900 -0.238 0.000 1.138 339 Y CA -0.048 57.932 58.100 -0.199 0.000 1.303 339 Y CB -2.831 35.510 38.460 -0.199 0.000 1.324 339 Y HN 0.442 nan 8.280 nan 0.000 0.605 340 A N -2.101 120.704 122.820 -0.024 0.000 3.420 340 A HA 0.120 4.453 4.320 0.021 0.000 0.269 340 A C 2.282 179.881 177.584 0.025 0.000 1.122 340 A CA 2.016 54.032 52.037 -0.034 0.000 1.023 340 A CB -1.842 17.098 19.000 -0.100 0.000 1.099 340 A HN 3.126 nan 8.150 nan 0.000 0.860 341 G N -2.493 106.401 108.800 0.158 0.000 2.483 341 G HA2 0.356 4.329 3.960 0.021 0.000 0.521 341 G HA3 0.356 4.329 3.960 0.021 0.000 0.521 341 G C -0.669 174.389 174.900 0.265 0.000 1.278 341 G CA 0.374 45.602 45.100 0.213 0.000 0.965 341 G HN 1.322 nan 8.290 nan 0.000 0.504 342 Q N 0.156 119.998 119.800 0.070 0.000 2.312 342 Q HA 0.383 4.736 4.340 0.021 0.000 0.236 342 Q C 1.131 177.015 176.000 -0.194 0.000 0.965 342 Q CA 0.376 56.072 55.803 -0.178 0.000 0.894 342 Q CB 0.749 29.438 28.738 -0.082 0.000 1.225 342 Q HN 1.208 nan 8.270 nan 0.000 0.478 343 N N 0.807 119.345 118.700 -0.270 0.000 2.741 343 N HA -0.188 4.565 4.740 0.021 0.000 0.251 343 N C -0.586 174.823 175.510 -0.169 0.000 1.112 343 N CA 1.635 54.575 53.050 -0.183 0.000 0.750 343 N CB -0.400 38.023 38.487 -0.107 0.000 1.119 343 N HN 0.601 nan 8.380 nan 0.000 0.561 344 K N -1.180 119.075 120.400 -0.241 0.000 2.402 344 K HA 0.247 4.580 4.320 0.021 0.000 0.204 344 K C 0.238 176.584 176.600 -0.423 0.000 1.056 344 K CA 0.007 56.138 56.287 -0.259 0.000 1.069 344 K CB 1.262 33.607 32.500 -0.259 0.000 0.888 344 K HN 0.116 nan 8.250 nan 0.000 0.546 345 V N 1.450 121.138 119.914 -0.376 0.000 2.997 345 V HA 0.246 4.379 4.120 0.021 0.000 0.311 345 V C -0.676 175.406 176.094 -0.020 0.000 1.066 345 V CA -0.754 61.353 62.300 -0.322 0.000 1.039 345 V CB 1.543 33.208 31.823 -0.264 0.000 1.081 345 V HN 0.139 nan 8.190 nan 0.000 0.467 346 N N 4.773 123.580 118.700 0.178 0.000 2.406 346 N HA 0.408 5.161 4.740 0.021 0.000 0.251 346 N C -1.784 173.679 175.510 -0.079 0.000 1.069 346 N CA -2.050 50.979 53.050 -0.035 0.000 0.947 346 N CB 1.475 39.923 38.487 -0.065 0.000 1.111 346 N HN 0.489 nan 8.380 nan 0.000 0.497 347 P HA 0.043 nan 4.420 nan 0.000 0.249 347 P C 0.750 178.074 177.300 0.039 0.000 1.229 347 P CA 0.392 63.491 63.100 -0.002 0.000 0.788 347 P CB 0.320 32.056 31.700 0.061 0.000 1.072 348 T N 0.499 115.036 114.554 -0.028 0.000 2.684 348 T HA -0.174 4.189 4.350 0.021 0.000 0.267 348 T C 2.008 176.737 174.700 0.049 0.000 1.036 348 T CA 1.962 64.098 62.100 0.061 0.000 1.148 348 T CB -0.726 68.140 68.868 -0.003 0.000 0.863 348 T HN 0.121 nan 8.240 nan 0.000 0.436 349 A N 1.721 124.566 122.820 0.042 0.000 1.865 349 A HA -0.178 4.155 4.320 0.021 0.000 0.217 349 A C 2.342 179.908 177.584 -0.030 0.000 1.191 349 A CA 1.539 53.581 52.037 0.008 0.000 0.623 349 A CB -0.578 18.436 19.000 0.023 0.000 0.826 349 A HN 0.352 nan 8.150 nan 0.000 0.444 350 E N -0.266 119.926 120.200 -0.013 0.000 2.085 350 E HA -0.177 4.186 4.350 0.021 0.000 0.194 350 E C 2.005 178.574 176.600 -0.051 0.000 0.994 350 E CA 1.211 57.583 56.400 -0.046 0.000 0.801 350 E CB -0.342 29.340 29.700 -0.030 0.000 0.743 350 E HN 0.720 nan 8.360 nan 0.000 0.453 351 I N 0.712 121.274 120.570 -0.013 0.000 2.179 351 I HA -0.299 3.883 4.170 0.021 0.000 0.242 351 I C 2.446 178.539 176.117 -0.040 0.000 1.088 351 I CA 0.976 62.263 61.300 -0.022 0.000 1.357 351 I CB -0.205 37.826 38.000 0.051 0.000 1.051 351 I HN 0.074 nan 8.210 nan 0.000 0.409 352 L N -0.106 121.119 121.223 0.005 0.000 2.217 352 L HA -0.159 4.194 4.340 0.021 0.000 0.211 352 L C 2.719 179.591 176.870 0.004 0.000 1.107 352 L CA 1.600 56.460 54.840 0.033 0.000 0.783 352 L CB -0.725 41.385 42.059 0.085 0.000 0.919 352 L HN 0.395 nan 8.230 nan 0.000 0.442 353 T N -1.565 112.973 114.554 -0.027 0.000 2.951 353 T HA -0.066 4.297 4.350 0.021 0.000 0.268 353 T C 1.900 176.530 174.700 -0.116 0.000 1.073 353 T CA 1.091 63.176 62.100 -0.024 0.000 1.134 353 T CB -0.242 68.625 68.868 -0.003 0.000 0.884 353 T HN 0.380 nan 8.240 nan 0.000 0.479 354 G N 0.828 109.533 108.800 -0.158 0.000 2.442 354 G HA2 -0.022 3.951 3.960 0.021 0.000 0.219 354 G HA3 -0.022 3.951 3.960 0.021 0.000 0.219 354 G C 1.926 176.572 174.900 -0.423 0.000 1.141 354 G CA 0.883 45.810 45.100 -0.288 0.000 0.763 354 G HN 0.732 nan 8.290 nan 0.000 0.554 355 A N 0.206 122.869 122.820 -0.262 0.000 1.969 355 A HA 0.123 4.456 4.320 0.021 0.000 0.218 355 A C 2.304 179.826 177.584 -0.104 0.000 1.169 355 A CA 1.573 53.498 52.037 -0.186 0.000 0.635 355 A CB -0.308 18.660 19.000 -0.052 0.000 0.810 355 A HN 0.458 nan 8.150 nan 0.000 0.445 356 L N -0.835 120.323 121.223 -0.108 0.000 2.156 356 L HA -0.007 4.346 4.340 0.021 0.000 0.208 356 L C 2.348 179.030 176.870 -0.314 0.000 1.095 356 L CA 2.243 57.050 54.840 -0.056 0.000 0.770 356 L CB -0.502 41.599 42.059 0.069 0.000 0.914 356 L HN 0.521 nan 8.230 nan 0.000 0.439 357 M N -1.809 117.330 119.600 -0.769 0.000 2.117 357 M HA -0.237 4.256 4.480 0.021 0.000 0.262 357 M C 1.909 178.048 176.300 -0.267 0.000 1.065 357 M CA 1.845 56.430 55.300 -1.192 0.000 1.114 357 M CB -0.192 31.833 32.600 -0.958 0.000 1.361 357 M HN 0.216 nan 8.290 nan 0.000 0.408 358 F N 0.943 120.720 119.950 -0.288 0.000 2.171 358 F HA -0.161 4.378 4.527 0.021 0.000 0.300 358 F C 2.500 178.248 175.800 -0.086 0.000 1.090 358 F CA 1.639 59.540 58.000 -0.165 0.000 1.293 358 F CB -1.272 37.755 39.000 0.046 0.000 1.013 358 F HN 0.382 nan 8.300 nan 0.000 0.486 359 E N -0.852 119.453 120.200 0.174 0.000 2.077 359 E HA -0.292 4.071 4.350 0.021 0.000 0.193 359 E C 2.158 178.861 176.600 0.172 0.000 0.989 359 E CA 1.126 57.627 56.400 0.169 0.000 0.800 359 E CB -0.446 29.367 29.700 0.189 0.000 0.746 359 E HN 0.461 nan 8.360 nan 0.000 0.452 360 Y N 0.056 120.390 120.300 0.058 0.000 2.439 360 Y HA -0.075 4.488 4.550 0.021 0.000 0.292 360 Y C 1.791 177.692 175.900 0.001 0.000 1.130 360 Y CA 0.680 58.844 58.100 0.108 0.000 1.254 360 Y CB 0.138 38.761 38.460 0.272 0.000 1.000 360 Y HN 0.077 nan 8.280 nan 0.000 0.554 361 I N -0.460 120.043 120.570 -0.112 0.000 2.876 361 I HA 0.105 4.288 4.170 0.021 0.000 0.264 361 I C 2.011 177.914 176.117 -0.356 0.000 1.204 361 I CA 1.393 62.467 61.300 -0.377 0.000 1.485 361 I CB -0.199 37.347 38.000 -0.756 0.000 1.103 361 I HN 0.417 nan 8.210 nan 0.000 0.446 362 G N -1.068 107.635 108.800 -0.162 0.000 2.259 362 G HA2 -0.231 3.742 3.960 0.021 0.000 0.217 362 G HA3 -0.231 3.742 3.960 0.021 0.000 0.217 362 G C 0.236 175.230 174.900 0.157 0.000 1.001 362 G CA -0.041 45.052 45.100 -0.011 0.000 0.627 362 G HN 0.151 nan 8.290 nan 0.000 0.501 363 W N 3.323 124.571 121.300 -0.085 0.000 2.423 363 W HA 0.376 5.049 4.660 0.022 0.000 0.447 363 W C 1.723 178.239 176.519 -0.004 0.000 0.711 363 W CA -0.319 56.961 57.345 -0.108 0.000 2.283 363 W CB -0.773 28.501 29.460 -0.310 0.000 0.914 363 W HN 0.688 nan 8.180 nan 0.000 0.641 364 K N 0.639 121.155 120.400 0.193 0.000 2.362 364 K HA -0.193 4.139 4.320 0.021 0.000 0.200 364 K C 1.224 177.896 176.600 0.120 0.000 1.046 364 K CA 1.800 58.176 56.287 0.150 0.000 0.952 364 K CB -0.160 32.398 32.500 0.096 0.000 0.753 364 K HN 0.026 nan 8.250 nan 0.000 0.466 365 D N 1.545 122.007 120.400 0.102 0.000 2.149 365 D HA -0.140 4.513 4.640 0.021 0.000 0.201 365 D C 1.879 178.229 176.300 0.083 0.000 0.972 365 D CA 1.327 55.363 54.000 0.061 0.000 0.835 365 D CB -0.237 40.575 40.800 0.021 0.000 0.966 365 D HN 0.315 nan 8.370 nan 0.000 0.476 366 A N 0.704 123.610 122.820 0.143 0.000 1.929 366 A HA -0.108 4.224 4.320 0.021 0.000 0.216 366 A C 2.357 180.107 177.584 0.276 0.000 1.176 366 A CA 1.828 54.000 52.037 0.225 0.000 0.628 366 A CB -0.754 18.441 19.000 0.324 0.000 0.816 366 A HN 0.308 nan 8.150 nan 0.000 0.444 367 S N -0.666 115.202 115.700 0.280 0.000 2.356 367 S HA -0.202 4.281 4.470 0.021 0.000 0.223 367 S C 2.034 176.673 174.600 0.066 0.000 1.032 367 S CA 1.618 59.920 58.200 0.170 0.000 1.005 367 S CB -0.374 62.920 63.200 0.156 0.000 0.867 367 S HN 0.547 nan 8.310 nan 0.000 0.449 368 E N 0.455 120.685 120.200 0.050 0.000 2.077 368 E HA -0.143 4.220 4.350 0.021 0.000 0.193 368 E C 2.051 178.651 176.600 0.001 0.000 0.989 368 E CA 1.223 57.622 56.400 -0.002 0.000 0.800 368 E CB -0.355 29.346 29.700 0.001 0.000 0.746 368 E HN 0.583 nan 8.360 nan 0.000 0.452 369 M N 0.068 119.685 119.600 0.029 0.000 2.108 369 M HA -0.180 4.313 4.480 0.021 0.000 0.261 369 M C 2.174 178.483 176.300 0.013 0.000 1.066 369 M CA 1.260 56.572 55.300 0.021 0.000 1.107 369 M CB -0.106 32.517 32.600 0.039 0.000 1.356 369 M HN 0.063 nan 8.290 nan 0.000 0.406 370 I N -0.441 120.145 120.570 0.026 0.000 2.226 370 I HA -0.337 3.846 4.170 0.021 0.000 0.245 370 I C 2.208 178.325 176.117 -0.001 0.000 1.100 370 I CA 1.378 62.681 61.300 0.005 0.000 1.374 370 I CB -0.411 37.583 38.000 -0.009 0.000 1.057 370 I HN 0.227 nan 8.210 nan 0.000 0.413 371 K N 0.727 121.122 120.400 -0.008 0.000 2.026 371 K HA -0.257 4.076 4.320 0.021 0.000 0.208 371 K C 2.163 178.754 176.600 -0.016 0.000 1.048 371 K CA 1.627 57.906 56.287 -0.012 0.000 0.929 371 K CB -0.157 32.283 32.500 -0.100 0.000 0.713 371 K HN 0.075 nan 8.250 nan 0.000 0.439 372 K N 1.089 121.473 120.400 -0.027 0.000 2.026 372 K HA -0.117 4.215 4.320 0.021 0.000 0.208 372 K C 1.925 178.508 176.600 -0.028 0.000 1.048 372 K CA 1.531 57.802 56.287 -0.027 0.000 0.929 372 K CB -0.263 32.223 32.500 -0.024 0.000 0.713 372 K HN 0.124 nan 8.250 nan 0.000 0.439 373 A N 0.304 123.106 122.820 -0.030 0.000 1.898 373 A HA -0.079 4.253 4.320 0.021 0.000 0.216 373 A C 2.318 179.862 177.584 -0.068 0.000 1.181 373 A CA 1.691 53.698 52.037 -0.050 0.000 0.620 373 A CB -0.795 18.174 19.000 -0.051 0.000 0.819 373 A HN 0.152 nan 8.150 nan 0.000 0.442 374 V N 0.139 120.030 119.914 -0.038 0.000 2.287 374 V HA -0.301 3.832 4.120 0.021 0.000 0.248 374 V C 2.529 178.625 176.094 0.004 0.000 1.053 374 V CA 2.360 64.655 62.300 -0.007 0.000 1.027 374 V CB -0.743 31.122 31.823 0.071 0.000 0.646 374 V HN 0.624 nan 8.190 nan 0.000 0.447 375 E N -0.520 119.677 120.200 -0.006 0.000 2.023 375 E HA -0.272 4.091 4.350 0.021 0.000 0.196 375 E C 2.279 178.864 176.600 -0.026 0.000 1.003 375 E CA 1.917 58.303 56.400 -0.022 0.000 0.809 375 E CB -0.213 29.466 29.700 -0.034 0.000 0.755 375 E HN 0.528 nan 8.360 nan 0.000 0.449 376 M N -0.040 119.539 119.600 -0.035 0.000 2.144 376 M HA -0.191 4.301 4.480 0.021 0.000 0.260 376 M C 2.596 178.870 176.300 -0.044 0.000 1.067 376 M CA 1.968 57.246 55.300 -0.036 0.000 1.095 376 M CB -0.337 32.238 32.600 -0.042 0.000 1.365 376 M HN 0.173 nan 8.290 nan 0.000 0.406 377 T N -0.294 114.216 114.554 -0.073 0.000 2.937 377 T HA -0.003 4.360 4.350 0.021 0.000 0.260 377 T C 1.579 176.274 174.700 -0.008 0.000 1.051 377 T CA 0.780 62.820 62.100 -0.100 0.000 1.141 377 T CB -0.200 68.507 68.868 -0.269 0.000 0.879 377 T HN 0.346 nan 8.240 nan 0.000 0.459 378 I N 1.169 121.770 120.570 0.053 0.000 2.315 378 I HA -0.110 4.073 4.170 0.021 0.000 0.248 378 I C 2.930 179.079 176.117 0.053 0.000 1.117 378 I CA 0.998 62.364 61.300 0.111 0.000 1.404 378 I CB -0.384 37.684 38.000 0.113 0.000 1.071 378 I HN 0.277 nan 8.210 nan 0.000 0.419 379 S N 0.261 115.972 115.700 0.020 0.000 2.368 379 S HA -0.174 4.308 4.470 0.021 0.000 0.225 379 S C 2.181 176.792 174.600 0.019 0.000 1.030 379 S CA 1.606 59.815 58.200 0.014 0.000 0.999 379 S CB -0.172 63.029 63.200 0.002 0.000 0.844 379 S HN 0.370 nan 8.310 nan 0.000 0.459 380 S N -0.118 115.589 115.700 0.011 0.000 2.423 380 S HA -0.045 4.438 4.470 0.021 0.000 0.238 380 S C 1.712 176.327 174.600 0.025 0.000 1.028 380 S CA 1.180 59.386 58.200 0.010 0.000 1.000 380 S CB -0.458 62.740 63.200 -0.004 0.000 0.797 380 S HN 0.839 nan 8.310 nan 0.000 0.487 381 G N 0.112 108.937 108.800 0.042 0.000 2.179 381 G HA2 -0.185 3.788 3.960 0.021 0.000 0.220 381 G HA3 -0.185 3.788 3.960 0.021 0.000 0.220 381 G C 0.079 175.026 174.900 0.079 0.000 0.990 381 G CA -0.179 44.955 45.100 0.057 0.000 0.646 381 G HN 0.419 nan 8.290 nan 0.000 0.517 382 I N 2.289 122.908 120.570 0.081 0.000 2.406 382 I HA 0.446 4.629 4.170 0.021 0.000 0.293 382 I C 0.880 177.146 176.117 0.249 0.000 1.101 382 I CA -0.147 61.225 61.300 0.120 0.000 1.334 382 I CB -0.064 37.969 38.000 0.056 0.000 1.421 382 I HN 0.470 nan 8.210 nan 0.000 0.513 383 V N 2.857 122.910 119.914 0.232 0.000 3.147 383 V HA 0.703 4.836 4.120 0.021 0.000 0.306 383 V C 0.114 176.274 176.094 0.110 0.000 1.209 383 V CA -0.820 61.606 62.300 0.210 0.000 1.023 383 V CB 1.616 33.509 31.823 0.116 0.000 1.059 383 V HN 0.726 nan 8.190 nan 0.000 0.435 384 T N 0.193 114.726 114.554 -0.036 0.000 2.771 384 T HA 0.363 4.726 4.350 0.021 0.000 0.290 384 T C 1.194 175.939 174.700 0.075 0.000 1.005 384 T CA 0.598 62.709 62.100 0.019 0.000 0.944 384 T CB 0.297 69.158 68.868 -0.013 0.000 1.147 384 T HN 1.580 nan 8.240 nan 0.000 0.534 385 Y N 1.367 121.612 120.300 -0.091 0.000 1.980 385 Y HA -0.355 4.207 4.550 0.021 0.000 0.249 385 Y C 2.014 177.929 175.900 0.025 0.000 1.215 385 Y CA 2.225 60.289 58.100 -0.060 0.000 1.075 385 Y CB -1.897 36.525 38.460 -0.064 0.000 0.894 385 Y HN 0.728 nan 8.280 nan 0.000 0.503 386 D N 0.358 120.050 120.400 -1.180 0.000 2.309 386 D HA -0.159 4.494 4.640 0.021 0.000 0.212 386 D C 1.546 177.617 176.300 -0.381 0.000 0.968 386 D CA 1.670 55.077 54.000 -0.989 0.000 0.882 386 D CB -0.520 39.522 40.800 -1.264 0.000 0.918 386 D HN 0.663 nan 8.370 nan 0.000 0.503 387 I N -0.082 120.350 120.570 -0.231 0.000 4.154 387 I HA -0.021 4.162 4.170 0.021 0.000 0.334 387 I C 1.848 177.961 176.117 -0.007 0.000 1.371 387 I CA -0.284 60.961 61.300 -0.091 0.000 1.110 387 I CB -0.033 37.925 38.000 -0.071 0.000 1.085 387 I HN 0.081 nan 8.210 nan 0.000 0.398 388 H N 2.070 121.085 119.070 -0.091 0.000 2.524 388 H HA 0.008 4.576 4.556 0.021 0.000 0.282 388 H C 1.964 177.242 175.328 -0.084 0.000 1.016 388 H CA 0.825 56.841 56.048 -0.053 0.000 1.270 388 H CB 0.258 30.004 29.762 -0.027 0.000 1.394 388 H HN 0.242 nan 8.280 nan 0.000 0.568 389 R N 0.198 120.557 120.500 -0.234 0.000 2.148 389 R HA -0.182 4.170 4.340 0.021 0.000 0.230 389 R C 0.954 176.968 176.300 -0.475 0.000 1.120 389 R CA 2.279 58.155 56.100 -0.374 0.000 0.902 389 R CB -0.274 29.857 30.300 -0.283 0.000 0.839 389 R HN 0.457 nan 8.270 nan 0.000 0.431 390 H N -1.329 117.667 119.070 -0.124 0.000 2.550 390 H HA 0.261 4.829 4.556 0.021 0.000 0.304 390 H C -0.576 174.707 175.328 -0.075 0.000 1.086 390 H CA 0.089 56.082 56.048 -0.091 0.000 1.089 390 H CB 0.305 30.033 29.762 -0.058 0.000 1.528 390 H HN 0.170 nan 8.280 nan 0.000 0.539 391 M N -0.847 118.726 119.600 -0.045 0.000 5.318 391 M HA 0.234 4.726 4.480 0.021 0.000 0.624 391 M C -0.034 176.225 176.300 -0.069 0.000 2.360 391 M CA -0.481 54.805 55.300 -0.025 0.000 0.348 391 M CB 0.643 33.254 32.600 0.019 0.000 1.458 391 M HN 0.151 nan 8.290 nan 0.000 0.671 392 G N 0.155 108.857 108.800 -0.162 0.000 2.372 392 G HA2 0.531 4.504 3.960 0.021 0.000 0.286 392 G HA3 0.531 4.504 3.960 0.021 0.000 0.286 392 G C 0.731 175.615 174.900 -0.027 0.000 1.153 392 G CA 0.509 45.461 45.100 -0.247 0.000 0.985 392 G HN 0.864 nan 8.290 nan 0.000 0.429 393 G N 1.220 110.087 108.800 0.111 0.000 4.106 393 G HA2 0.191 4.164 3.960 0.021 0.000 0.220 393 G HA3 0.191 4.164 3.960 0.021 0.000 0.220 393 G C 0.077 175.038 174.900 0.102 0.000 0.853 393 G CA 0.386 45.546 45.100 0.099 0.000 0.920 393 G HN 1.307 nan 8.290 nan 0.000 0.715 394 T N -0.757 113.882 114.554 0.141 0.000 2.971 394 T HA 0.798 5.161 4.350 0.021 0.000 0.304 394 T C -0.426 174.346 174.700 0.119 0.000 1.038 394 T CA -0.665 61.497 62.100 0.104 0.000 1.007 394 T CB 3.117 72.034 68.868 0.082 0.000 1.055 394 T HN 0.147 nan 8.240 nan 0.000 0.451 395 K N 0.691 121.126 120.400 0.058 0.000 2.041 395 K HA 0.946 5.279 4.320 0.021 0.000 0.277 395 K C -0.807 175.821 176.600 0.045 0.000 0.965 395 K CA -0.831 55.462 56.287 0.010 0.000 1.138 395 K CB 0.406 32.862 32.500 -0.073 0.000 3.194 395 K HN 0.640 nan 8.250 nan 0.000 1.085 396 V N -0.256 119.675 119.914 0.028 0.000 3.049 396 V HA 0.091 4.224 4.120 0.021 0.000 0.443 396 V C -0.107 176.023 176.094 0.060 0.000 0.683 396 V CA -0.180 62.154 62.300 0.055 0.000 1.977 396 V CB -0.176 31.705 31.823 0.096 0.000 2.460 396 V HN 0.841 nan 8.190 nan 0.000 0.490 397 G N 2.585 111.412 108.800 0.044 0.000 2.588 397 G HA2 0.505 4.478 3.960 0.021 0.000 0.281 397 G HA3 0.505 4.478 3.960 0.021 0.000 0.281 397 G C 1.059 175.992 174.900 0.054 0.000 1.236 397 G CA 0.477 45.590 45.100 0.022 0.000 0.969 397 G HN 1.005 nan 8.290 nan 0.000 0.504 398 T N -0.555 114.000 114.554 0.002 0.000 2.708 398 T HA -0.143 4.220 4.350 0.021 0.000 0.266 398 T C 2.360 177.103 174.700 0.071 0.000 1.037 398 T CA 1.328 63.438 62.100 0.016 0.000 1.146 398 T CB -0.159 68.671 68.868 -0.063 0.000 0.865 398 T HN 0.486 nan 8.240 nan 0.000 0.435 399 R N 0.996 121.511 120.500 0.025 0.000 2.081 399 R HA -0.125 4.227 4.340 0.021 0.000 0.235 399 R C 2.147 178.474 176.300 0.046 0.000 1.131 399 R CA 1.605 57.718 56.100 0.022 0.000 0.960 399 R CB -0.115 30.181 30.300 -0.007 0.000 0.856 399 R HN 0.308 nan 8.270 nan 0.000 0.436 400 E N -0.169 120.064 120.200 0.056 0.000 2.150 400 E HA -0.161 4.201 4.350 0.021 0.000 0.193 400 E C 1.439 178.089 176.600 0.083 0.000 0.985 400 E CA 1.217 57.648 56.400 0.051 0.000 0.814 400 E CB -0.315 29.413 29.700 0.046 0.000 0.752 400 E HN 0.361 nan 8.360 nan 0.000 0.466 401 F N 0.865 120.806 119.950 -0.015 0.000 2.113 401 F HA -0.079 4.461 4.527 0.021 0.000 0.297 401 F C 2.103 177.894 175.800 -0.016 0.000 1.103 401 F CA 1.365 59.359 58.000 -0.009 0.000 1.248 401 F CB -0.370 38.631 39.000 0.001 0.000 0.999 401 F HN 0.022 nan 8.300 nan 0.000 0.475 402 A N 0.166 123.062 122.820 0.127 0.000 1.933 402 A HA -0.173 4.160 4.320 0.021 0.000 0.218 402 A C 2.176 179.704 177.584 -0.094 0.000 1.175 402 A CA 1.731 53.767 52.037 -0.002 0.000 0.628 402 A CB -0.782 18.247 19.000 0.049 0.000 0.814 402 A HN 0.455 nan 8.150 nan 0.000 0.444 403 E N -0.157 120.005 120.200 -0.063 0.000 2.077 403 E HA -0.153 4.210 4.350 0.021 0.000 0.193 403 E C 2.323 178.860 176.600 -0.105 0.000 0.989 403 E CA 1.256 57.616 56.400 -0.067 0.000 0.800 403 E CB -0.429 29.248 29.700 -0.039 0.000 0.746 403 E HN 0.580 nan 8.360 nan 0.000 0.452 404 A N 1.005 123.733 122.820 -0.153 0.000 1.969 404 A HA -0.107 4.226 4.320 0.021 0.000 0.218 404 A C 2.431 179.872 177.584 -0.238 0.000 1.169 404 A CA 1.445 53.373 52.037 -0.181 0.000 0.635 404 A CB -0.548 18.336 19.000 -0.194 0.000 0.810 404 A HN 0.216 nan 8.150 nan 0.000 0.445 405 V N -1.382 118.331 119.914 -0.334 0.000 2.548 405 V HA -0.113 4.020 4.120 0.021 0.000 0.249 405 V C 2.078 178.083 176.094 -0.148 0.000 1.055 405 V CA 2.179 64.314 62.300 -0.276 0.000 1.065 405 V CB -0.674 30.946 31.823 -0.338 0.000 0.681 405 V HN 0.197 nan 8.190 nan 0.000 0.462 406 V N 0.750 120.593 119.914 -0.119 0.000 2.287 406 V HA -0.223 3.909 4.120 0.021 0.000 0.248 406 V C 2.897 178.954 176.094 -0.061 0.000 1.053 406 V CA 2.565 64.824 62.300 -0.069 0.000 1.027 406 V CB -0.791 31.002 31.823 -0.051 0.000 0.646 406 V HN 0.635 nan 8.190 nan 0.000 0.447 407 E N 0.292 120.449 120.200 -0.072 0.000 2.048 407 E HA -0.252 4.110 4.350 0.021 0.000 0.202 407 E C 2.102 178.669 176.600 -0.056 0.000 1.021 407 E CA 1.669 58.034 56.400 -0.059 0.000 0.825 407 E CB -0.581 29.080 29.700 -0.065 0.000 0.756 407 E HN 0.613 nan 8.360 nan 0.000 0.454 408 N N 0.897 119.553 118.700 -0.073 0.000 2.223 408 N HA -0.139 4.614 4.740 0.021 0.000 0.185 408 N C 2.132 177.614 175.510 -0.047 0.000 1.016 408 N CA 0.526 53.539 53.050 -0.062 0.000 0.863 408 N CB -0.325 38.115 38.487 -0.079 0.000 0.983 408 N HN 0.127 nan 8.380 nan 0.000 0.429 409 L N 1.362 122.558 121.223 -0.046 0.000 1.976 409 L HA -0.161 4.192 4.340 0.021 0.000 0.209 409 L C 2.500 179.357 176.870 -0.021 0.000 1.071 409 L CA 1.337 56.160 54.840 -0.027 0.000 0.746 409 L CB -0.328 41.721 42.059 -0.018 0.000 0.890 409 L HN 0.106 nan 8.230 nan 0.000 0.432 410 Q N -0.475 119.312 119.800 -0.022 0.000 2.308 410 Q HA -0.181 4.172 4.340 0.021 0.000 0.209 410 Q C 1.429 177.416 176.000 -0.021 0.000 0.985 410 Q CA 1.087 56.879 55.803 -0.019 0.000 0.881 410 Q CB -0.104 28.622 28.738 -0.019 0.000 0.917 410 Q HN 0.327 nan 8.270 nan 0.000 0.443 411 S N 0.855 116.541 115.700 -0.024 0.000 2.994 411 S HA 0.102 4.585 4.470 0.021 0.000 0.247 411 S C 0.159 174.746 174.600 -0.020 0.000 1.323 411 S CA -0.249 57.938 58.200 -0.022 0.000 1.246 411 S CB -0.276 62.908 63.200 -0.026 0.000 0.994 411 S HN 0.182 nan 8.310 nan 0.000 0.484 412 L N 0.000 121.212 121.223 -0.019 0.000 2.949 412 L HA 0.000 4.353 4.340 0.021 0.000 0.249 412 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 412 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502