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 2e9z_1_A DATA FIRST_RESID 1 DATA SEQUENCE GLIVDTRDVE ERVHVMRKTK LAPTVAHGVF NPEFGPAALS NKDPRLNEGV DATA SEQUENCE VLDEVIFSKH KGDTKMSAED KALFRRCAAD YASRLHSVLG TANAPLSIYE DATA SEQUENCE AIKGVDGLDA MEPDTAPGLP WALQGKRRGA LIDFENGTVG PEVEAALKLM DATA SEQUENCE EKREYKFACQ TFLKDEIRPM EKVRAGKTRI VDVLPVEHIL YTRMMIGRFC DATA SEQUENCE AQMHSNNGPQ IGSAVGCNPD VDWQRFGTHF AQYRNVWDVD YSAFDANHCS DATA SEQUENCE DAMNIMFEEV FRTEFGFHPN AEWILKTLVN TEHAYENKRI TVEGGMPSGC DATA SEQUENCE SATSIINTIL NNIYVLYALR RHYEGVELDT YTMISYGDDI VVASDYDLDF DATA SEQUENCE EALKPHFKSL GQTITPADKS DKGFVLGHSI TDVTFLKRHF HMDYGTGFYK DATA SEQUENCE PVMASKTLEA ILSFARRGTI QEKLISVAGL AVHSGPDEYR RLFEPFQGLF DATA SEQUENCE EIPSYRSLYL RWVNAVCGDA AALEHH 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 1 G C 0.000 174.938 174.900 0.064 0.000 0.946 1 G CA 0.000 45.224 45.100 0.206 0.000 0.502 2 L N 1.978 123.153 121.223 -0.081 0.000 2.349 2 L HA 0.704 5.040 4.340 -0.008 0.000 0.278 2 L C -0.221 176.559 176.870 -0.150 0.000 0.996 2 L CA -1.032 53.760 54.840 -0.080 0.000 0.825 2 L CB 1.204 43.231 42.059 -0.053 0.000 1.243 2 L HN 0.486 nan 8.230 nan 0.000 0.412 3 I N 5.121 125.615 120.570 -0.126 0.000 2.945 3 I HA 0.274 4.439 4.170 -0.008 0.000 0.292 3 I C 1.098 177.160 176.117 -0.092 0.000 1.093 3 I CA 0.133 61.353 61.300 -0.133 0.000 1.336 3 I CB 1.370 39.320 38.000 -0.083 0.000 1.435 3 I HN 0.656 nan 8.210 nan 0.000 0.593 4 V N -1.408 118.452 119.914 -0.090 0.000 3.177 4 V HA 0.376 4.492 4.120 -0.008 0.000 0.220 4 V C 0.372 176.430 176.094 -0.061 0.000 1.395 4 V CA 0.663 62.922 62.300 -0.070 0.000 1.317 4 V CB 0.296 32.076 31.823 -0.072 0.000 1.148 4 V HN 0.715 nan 8.190 nan 0.000 0.499 5 D N 1.213 121.573 120.400 -0.067 0.000 2.517 5 D HA 0.558 5.194 4.640 -0.008 0.000 0.263 5 D C -0.035 176.229 176.300 -0.061 0.000 1.233 5 D CA 0.298 54.263 54.000 -0.057 0.000 0.849 5 D CB 0.435 41.203 40.800 -0.052 0.000 1.261 5 D HN 0.368 nan 8.370 nan 0.000 0.516 6 T N 1.278 115.794 114.554 -0.064 0.000 2.901 6 T HA 0.562 4.908 4.350 -0.008 0.000 0.301 6 T C 0.686 175.352 174.700 -0.057 0.000 1.012 6 T CA 0.113 62.170 62.100 -0.072 0.000 1.135 6 T CB 0.623 69.439 68.868 -0.087 0.000 0.936 6 T HN 0.771 nan 8.240 nan 0.000 0.539 7 R N 1.560 122.028 120.500 -0.053 0.000 2.929 7 R HA 0.749 5.085 4.340 -0.008 0.000 0.259 7 R C -1.716 174.562 176.300 -0.037 0.000 1.141 7 R CA -1.138 54.938 56.100 -0.041 0.000 0.991 7 R CB 1.321 31.599 30.300 -0.035 0.000 1.287 7 R HN 0.353 nan 8.270 nan 0.000 0.450 8 D N -0.668 119.714 120.400 -0.030 0.000 2.547 8 D HA 0.559 5.195 4.640 -0.008 0.000 0.231 8 D C -0.381 175.906 176.300 -0.022 0.000 1.099 8 D CA -0.538 53.446 54.000 -0.027 0.000 0.901 8 D CB 2.731 43.515 40.800 -0.027 0.000 1.478 8 D HN 0.285 nan 8.370 nan 0.000 0.471 9 V N -0.003 119.899 119.914 -0.020 0.000 6.890 9 V HA 0.260 4.375 4.120 -0.008 0.000 0.285 9 V C 0.554 176.638 176.094 -0.017 0.000 1.685 9 V CA -0.499 61.791 62.300 -0.017 0.000 0.613 9 V CB 0.778 32.592 31.823 -0.014 0.000 1.612 9 V HN 0.406 nan 8.190 nan 0.000 0.363 10 E N 0.158 120.349 120.200 -0.014 0.000 2.625 10 E HA 0.245 4.591 4.350 -0.008 0.000 0.185 10 E C 0.188 176.778 176.600 -0.016 0.000 1.085 10 E CA -0.151 56.241 56.400 -0.014 0.000 1.137 10 E CB -0.296 29.399 29.700 -0.009 0.000 1.687 10 E HN 0.645 nan 8.360 nan 0.000 0.512 11 E N 2.061 122.255 120.200 -0.009 0.000 2.653 11 E HA -0.081 4.265 4.350 -0.008 0.000 0.264 11 E C -0.128 176.460 176.600 -0.019 0.000 0.949 11 E CA 0.741 57.137 56.400 -0.007 0.000 0.953 11 E CB 0.295 29.997 29.700 0.004 0.000 0.925 11 E HN 0.021 nan 8.360 nan 0.000 0.475 12 R N 2.347 122.833 120.500 -0.024 0.000 2.402 12 R HA 0.204 4.539 4.340 -0.008 0.000 0.290 12 R C -1.031 175.253 176.300 -0.027 0.000 1.321 12 R CA -0.513 55.559 56.100 -0.047 0.000 1.283 12 R CB 0.882 31.147 30.300 -0.059 0.000 1.111 12 R HN 0.228 nan 8.270 nan 0.000 0.578 13 V N 5.190 125.080 119.914 -0.039 0.000 2.450 13 V HA -0.048 4.068 4.120 -0.008 0.000 0.281 13 V C 0.809 176.859 176.094 -0.073 0.000 1.019 13 V CA -0.054 62.229 62.300 -0.028 0.000 1.062 13 V CB -0.387 31.387 31.823 -0.082 0.000 0.979 13 V HN 0.616 nan 8.190 nan 0.000 0.477 14 H N 5.388 124.364 119.070 -0.156 0.000 2.527 14 H HA 0.500 5.051 4.556 -0.008 0.000 0.321 14 H C 0.183 175.411 175.328 -0.167 0.000 1.087 14 H CA -0.807 55.145 56.048 -0.159 0.000 1.337 14 H CB 1.680 31.384 29.762 -0.098 0.000 1.440 14 H HN 0.439 nan 8.280 nan 0.000 0.490 15 V N 0.397 120.174 119.914 -0.229 0.000 3.392 15 V HA 0.162 4.277 4.120 -0.008 0.000 0.294 15 V C 1.077 177.137 176.094 -0.056 0.000 1.561 15 V CA -0.256 61.890 62.300 -0.257 0.000 1.056 15 V CB -0.375 31.232 31.823 -0.359 0.000 0.882 15 V HN 0.586 nan 8.190 nan 0.000 0.440 16 M N 1.727 121.334 119.600 0.012 0.000 2.915 16 M HA 0.287 4.762 4.480 -0.008 0.000 0.206 16 M C 0.466 176.806 176.300 0.065 0.000 1.271 16 M CA 0.230 55.571 55.300 0.068 0.000 1.122 16 M CB -0.615 32.034 32.600 0.082 0.000 1.655 16 M HN 0.301 nan 8.290 nan 0.000 0.434 17 R N 2.700 123.229 120.500 0.047 0.000 2.583 17 R HA 0.003 4.338 4.340 -0.008 0.000 0.274 17 R C 0.321 176.659 176.300 0.064 0.000 0.998 17 R CA 0.262 56.398 56.100 0.060 0.000 1.081 17 R CB 0.096 30.423 30.300 0.045 0.000 0.940 17 R HN 0.393 nan 8.270 nan 0.000 0.413 18 K N 1.279 121.717 120.400 0.064 0.000 2.484 18 K HA -0.042 4.274 4.320 -0.008 0.000 0.280 18 K C 0.226 176.862 176.600 0.061 0.000 1.013 18 K CA -0.075 56.248 56.287 0.060 0.000 1.029 18 K CB 0.429 32.962 32.500 0.055 0.000 0.902 18 K HN 0.454 nan 8.250 nan 0.000 0.481 19 T N 1.840 116.431 114.554 0.062 0.000 2.923 19 T HA -0.082 4.264 4.350 -0.008 0.000 0.309 19 T C 0.357 175.098 174.700 0.068 0.000 1.059 19 T CA 0.342 62.480 62.100 0.064 0.000 1.133 19 T CB 0.220 69.129 68.868 0.069 0.000 1.053 19 T HN 0.715 nan 8.240 nan 0.000 0.530 20 K N 3.740 124.181 120.400 0.069 0.000 2.455 20 K HA 0.264 4.579 4.320 -0.008 0.000 0.206 20 K C -0.290 176.360 176.600 0.082 0.000 1.027 20 K CA -0.120 56.209 56.287 0.069 0.000 1.113 20 K CB 0.458 32.994 32.500 0.060 0.000 0.850 20 K HN 0.491 nan 8.250 nan 0.000 0.503 21 L N 1.920 123.206 121.223 0.105 0.000 2.277 21 L HA 0.409 4.744 4.340 -0.008 0.000 0.284 21 L C -0.261 176.736 176.870 0.211 0.000 1.028 21 L CA -0.729 54.205 54.840 0.156 0.000 0.835 21 L CB 1.362 43.514 42.059 0.155 0.000 1.215 21 L HN 0.014 nan 8.230 nan 0.000 0.425 22 A N 5.438 128.357 122.820 0.165 0.000 2.305 22 A HA 0.777 5.093 4.320 -0.008 0.000 0.322 22 A C -2.435 175.195 177.584 0.077 0.000 1.187 22 A CA -1.652 50.456 52.037 0.119 0.000 0.825 22 A CB 0.528 19.567 19.000 0.065 0.000 1.164 22 A HN 0.387 nan 8.150 nan 0.000 0.498 23 P HA 0.119 nan 4.420 nan 0.000 0.266 23 P C 0.332 177.540 177.300 -0.154 0.000 1.193 23 P CA 0.470 63.408 63.100 -0.269 0.000 0.770 23 P CB 0.559 32.002 31.700 -0.428 0.000 0.836 24 T N -1.935 112.529 114.554 -0.150 0.000 2.937 24 T HA 0.195 4.541 4.350 -0.008 0.000 0.283 24 T C 0.998 175.608 174.700 -0.151 0.000 1.012 24 T CA -0.676 61.390 62.100 -0.058 0.000 0.997 24 T CB 0.787 69.708 68.868 0.089 0.000 1.136 24 T HN 0.118 nan 8.240 nan 0.000 0.551 25 V N 0.773 120.555 119.914 -0.219 0.000 2.828 25 V HA -0.021 4.095 4.120 -0.008 0.000 0.260 25 V C 2.398 178.209 176.094 -0.471 0.000 1.101 25 V CA 2.411 64.515 62.300 -0.327 0.000 1.123 25 V CB -1.389 30.225 31.823 -0.349 0.000 0.704 25 V HN 1.022 nan 8.190 nan 0.000 0.493 26 A N -1.391 121.095 122.820 -0.557 0.000 1.984 26 A HA -0.077 4.239 4.320 -0.008 0.000 0.214 26 A C 2.080 179.463 177.584 -0.334 0.000 1.173 26 A CA 0.963 52.668 52.037 -0.554 0.000 0.673 26 A CB -0.845 18.006 19.000 -0.247 0.000 0.830 26 A HN 0.757 nan 8.150 nan 0.000 0.453 27 H N 0.819 119.732 119.070 -0.263 0.000 2.296 27 H HA -0.221 4.330 4.556 -0.008 0.000 0.291 27 H C 2.173 177.399 175.328 -0.171 0.000 1.074 27 H CA 2.362 58.278 56.048 -0.220 0.000 1.176 27 H CB -0.943 28.601 29.762 -0.363 0.000 1.357 27 H HN 0.330 nan 8.280 nan 0.000 0.520 28 G N -0.431 108.481 108.800 0.186 0.000 2.564 28 G HA2 -0.105 3.851 3.960 -0.008 0.000 0.216 28 G HA3 -0.105 3.851 3.960 -0.008 0.000 0.216 28 G C 1.736 176.589 174.900 -0.078 0.000 1.124 28 G CA 1.024 46.178 45.100 0.090 0.000 0.764 28 G HN 0.411 nan 8.290 nan 0.000 0.550 29 V N -0.911 118.856 119.914 -0.246 0.000 2.949 29 V HA 0.185 4.300 4.120 -0.008 0.000 0.245 29 V C 1.950 177.833 176.094 -0.352 0.000 1.086 29 V CA 0.735 62.797 62.300 -0.398 0.000 1.097 29 V CB -0.333 31.069 31.823 -0.703 0.000 0.762 29 V HN 0.267 nan 8.190 nan 0.000 0.470 30 F N -0.242 119.669 119.950 -0.066 0.000 2.559 30 F HA 0.330 4.852 4.527 -0.008 0.000 0.286 30 F C 1.201 176.967 175.800 -0.058 0.000 1.108 30 F CA -0.593 57.373 58.000 -0.056 0.000 1.436 30 F CB -0.883 38.080 39.000 -0.061 0.000 1.130 30 F HN 0.155 nan 8.300 nan 0.000 0.584 31 N N 1.079 119.805 118.700 0.045 0.000 2.696 31 N HA -0.131 4.605 4.740 -0.008 0.000 0.256 31 N C -2.621 172.914 175.510 0.042 0.000 1.031 31 N CA -0.225 52.815 53.050 -0.016 0.000 0.730 31 N CB -1.110 37.406 38.487 0.047 0.000 0.894 31 N HN 0.144 nan 8.380 nan 0.000 0.544 32 P HA 0.009 nan 4.420 nan 0.000 0.271 32 P C -0.005 177.456 177.300 0.269 0.000 1.216 32 P CA 0.298 63.549 63.100 0.252 0.000 0.776 32 P CB 0.668 32.560 31.700 0.322 0.000 0.881 33 E N 1.936 122.254 120.200 0.198 0.000 2.322 33 E HA 0.127 4.472 4.350 -0.008 0.000 0.195 33 E C -0.249 176.129 176.600 -0.370 0.000 1.198 33 E CA 0.330 56.660 56.400 -0.117 0.000 1.132 33 E CB -0.754 28.785 29.700 -0.268 0.000 1.213 33 E HN 0.407 nan 8.360 nan 0.000 0.450 34 F N -0.364 119.601 119.950 0.025 0.000 2.611 34 F HA 0.743 5.266 4.527 -0.008 0.000 0.324 34 F C 0.881 176.621 175.800 -0.100 0.000 1.061 34 F CA -1.013 56.954 58.000 -0.055 0.000 0.954 34 F CB 2.103 41.039 39.000 -0.107 0.000 1.301 34 F HN -0.112 nan 8.300 nan 0.000 0.482 35 G N 0.277 109.033 108.800 -0.074 0.000 2.547 35 G HA2 0.499 4.455 3.960 -0.008 0.000 0.291 35 G HA3 0.499 4.455 3.960 -0.008 0.000 0.291 35 G C -3.410 171.362 174.900 -0.213 0.000 1.471 35 G CA -1.294 43.675 45.100 -0.218 0.000 0.798 35 G HN 0.295 nan 8.290 nan 0.000 0.504 36 P HA 0.346 nan 4.420 nan 0.000 0.266 36 P C 0.489 177.774 177.300 -0.025 0.000 1.215 36 P CA 0.353 63.400 63.100 -0.088 0.000 0.763 36 P CB 0.897 32.590 31.700 -0.013 0.000 0.806 37 A N 4.466 127.272 122.820 -0.023 0.000 2.567 37 A HA 0.306 4.621 4.320 -0.008 0.000 0.240 37 A C 0.996 178.591 177.584 0.018 0.000 1.053 37 A CA 0.091 52.126 52.037 -0.002 0.000 0.755 37 A CB -0.462 18.537 19.000 -0.002 0.000 0.978 37 A HN 0.688 nan 8.150 nan 0.000 0.507 38 A N 2.598 125.432 122.820 0.024 0.000 2.561 38 A HA 0.343 4.659 4.320 -0.008 0.000 0.251 38 A C 0.824 178.436 177.584 0.047 0.000 1.062 38 A CA 0.146 52.206 52.037 0.037 0.000 0.761 38 A CB -0.327 18.695 19.000 0.037 0.000 0.986 38 A HN 0.947 nan 8.150 nan 0.000 0.510 39 L N 2.289 123.546 121.223 0.056 0.000 2.640 39 L HA 0.150 4.486 4.340 -0.008 0.000 0.230 39 L C 1.150 178.071 176.870 0.085 0.000 1.123 39 L CA 0.232 55.115 54.840 0.072 0.000 0.900 39 L CB 0.117 42.218 42.059 0.069 0.000 1.146 39 L HN 0.655 nan 8.230 nan 0.000 0.484 40 S N -0.459 115.285 115.700 0.073 0.000 2.501 40 S HA 0.300 4.765 4.470 -0.008 0.000 0.301 40 S C 0.993 175.638 174.600 0.074 0.000 1.096 40 S CA -0.710 57.534 58.200 0.073 0.000 1.063 40 S CB 1.086 64.321 63.200 0.057 0.000 1.042 40 S HN 0.135 nan 8.310 nan 0.000 0.494 41 N N 2.381 121.129 118.700 0.080 0.000 2.149 41 N HA -0.092 4.643 4.740 -0.008 0.000 0.188 41 N C -0.232 175.312 175.510 0.055 0.000 1.019 41 N CA 1.129 54.225 53.050 0.077 0.000 0.857 41 N CB -0.221 38.312 38.487 0.076 0.000 0.997 41 N HN 0.538 nan 8.380 nan 0.000 0.426 42 K N 1.095 121.523 120.400 0.046 0.000 2.526 42 K HA 0.285 4.600 4.320 -0.008 0.000 0.214 42 K C -0.966 175.655 176.600 0.036 0.000 1.088 42 K CA -0.500 55.809 56.287 0.036 0.000 1.058 42 K CB 0.561 33.079 32.500 0.030 0.000 1.653 42 K HN -0.123 nan 8.250 nan 0.000 0.521 43 D N 1.932 122.355 120.400 0.038 0.000 2.198 43 D HA 0.230 4.866 4.640 -0.008 0.000 0.245 43 D C -1.592 174.728 176.300 0.032 0.000 1.079 43 D CA -2.255 51.767 54.000 0.037 0.000 0.854 43 D CB 1.763 42.587 40.800 0.041 0.000 1.148 43 D HN 0.014 nan 8.370 nan 0.000 0.456 44 P HA -0.148 nan 4.420 nan 0.000 0.216 44 P C 1.155 178.471 177.300 0.027 0.000 1.157 44 P CA 1.412 64.529 63.100 0.027 0.000 0.880 44 P CB 0.276 31.993 31.700 0.028 0.000 0.791 45 R N -0.921 119.598 120.500 0.031 0.000 2.105 45 R HA -0.054 4.282 4.340 -0.008 0.000 0.239 45 R C 0.976 177.290 176.300 0.024 0.000 1.135 45 R CA 0.402 56.520 56.100 0.030 0.000 0.967 45 R CB -1.184 29.138 30.300 0.036 0.000 0.861 45 R HN 0.229 nan 8.270 nan 0.000 0.442 46 L N 2.404 123.641 121.223 0.024 0.000 2.536 46 L HA -0.114 4.221 4.340 -0.008 0.000 0.294 46 L C 0.407 177.288 176.870 0.018 0.000 1.257 46 L CA 0.089 54.942 54.840 0.021 0.000 0.850 46 L CB -0.054 42.021 42.059 0.026 0.000 1.105 46 L HN 0.244 nan 8.230 nan 0.000 0.517 47 N N 1.741 120.450 118.700 0.014 0.000 2.525 47 N HA 0.024 4.759 4.740 -0.008 0.000 0.271 47 N C -0.214 175.304 175.510 0.013 0.000 1.194 47 N CA -0.356 52.701 53.050 0.012 0.000 0.964 47 N CB 0.630 39.121 38.487 0.008 0.000 1.126 47 N HN 0.429 nan 8.380 nan 0.000 0.452 48 E N 1.016 121.223 120.200 0.012 0.000 1.833 48 E HA 0.155 4.500 4.350 -0.008 0.000 0.258 48 E C 0.882 177.489 176.600 0.011 0.000 1.257 48 E CA 0.063 56.470 56.400 0.012 0.000 1.003 48 E CB -0.294 29.413 29.700 0.010 0.000 1.068 48 E HN 0.901 nan 8.360 nan 0.000 0.422 49 G N 1.426 110.234 108.800 0.014 0.000 3.382 49 G HA2 -0.221 3.735 3.960 -0.008 0.000 0.214 49 G HA3 -0.221 3.735 3.960 -0.008 0.000 0.214 49 G C 0.160 175.070 174.900 0.016 0.000 1.025 49 G CA -0.114 44.995 45.100 0.013 0.000 0.869 49 G HN 0.428 nan 8.290 nan 0.000 0.458 50 V N 2.263 122.187 119.914 0.017 0.000 2.715 50 V HA 0.598 4.714 4.120 -0.008 0.000 0.299 50 V C 0.442 176.552 176.094 0.027 0.000 1.054 50 V CA -0.080 62.232 62.300 0.020 0.000 1.077 50 V CB 1.480 33.313 31.823 0.018 0.000 0.972 50 V HN 0.428 nan 8.190 nan 0.000 0.484 51 V N 7.011 126.945 119.914 0.033 0.000 2.769 51 V HA 0.335 4.450 4.120 -0.008 0.000 0.312 51 V C 0.692 176.819 176.094 0.056 0.000 1.058 51 V CA -0.374 61.953 62.300 0.044 0.000 0.952 51 V CB 1.503 33.352 31.823 0.044 0.000 1.019 51 V HN 0.923 nan 8.190 nan 0.000 0.445 52 L N 1.772 123.038 121.223 0.072 0.000 2.071 52 L HA 0.080 4.415 4.340 -0.008 0.000 0.201 52 L C 1.900 178.840 176.870 0.116 0.000 1.076 52 L CA 1.721 56.614 54.840 0.089 0.000 0.755 52 L CB -0.454 41.669 42.059 0.108 0.000 0.915 52 L HN 0.761 nan 8.230 nan 0.000 0.445 53 D N -0.365 120.125 120.400 0.149 0.000 2.389 53 D HA -0.209 4.426 4.640 -0.008 0.000 0.221 53 D C 1.600 177.980 176.300 0.134 0.000 0.974 53 D CA 0.933 55.039 54.000 0.175 0.000 0.923 53 D CB 0.284 41.194 40.800 0.184 0.000 0.892 53 D HN 0.642 nan 8.370 nan 0.000 0.518 54 E N 0.364 120.629 120.200 0.108 0.000 2.075 54 E HA -0.083 4.262 4.350 -0.008 0.000 0.193 54 E C 2.119 178.783 176.600 0.107 0.000 0.950 54 E CA 0.115 56.570 56.400 0.092 0.000 0.859 54 E CB 0.186 29.920 29.700 0.057 0.000 0.846 54 E HN -0.116 nan 8.360 nan 0.000 0.467 55 V N 1.563 121.519 119.914 0.070 0.000 2.380 55 V HA -0.284 3.832 4.120 -0.008 0.000 0.251 55 V C 2.453 178.563 176.094 0.026 0.000 1.063 55 V CA 1.478 63.802 62.300 0.041 0.000 1.055 55 V CB -0.552 31.284 31.823 0.022 0.000 0.657 55 V HN 0.331 nan 8.190 nan 0.000 0.455 56 I N -0.674 119.917 120.570 0.036 0.000 2.151 56 I HA -0.215 3.951 4.170 -0.008 0.000 0.243 56 I C 1.728 177.744 176.117 -0.168 0.000 1.080 56 I CA 1.822 63.076 61.300 -0.076 0.000 1.339 56 I CB -0.566 37.373 38.000 -0.102 0.000 1.039 56 I HN 0.239 nan 8.210 nan 0.000 0.409 57 F N -0.121 119.790 119.950 -0.064 0.000 2.663 57 F HA 0.124 4.650 4.527 -0.003 0.000 0.299 57 F C 2.012 177.810 175.800 -0.003 0.000 1.143 57 F CA 0.101 58.098 58.000 -0.006 0.000 1.387 57 F CB -0.714 38.309 39.000 0.039 0.000 1.019 57 F HN 0.029 nan 8.300 nan 0.000 0.523 58 S N -0.417 115.329 115.700 0.078 0.000 2.660 58 S HA -0.015 4.450 4.470 -0.008 0.000 0.227 58 S C 1.483 176.064 174.600 -0.032 0.000 0.948 58 S CA -0.289 57.936 58.200 0.042 0.000 0.948 58 S CB -0.616 62.602 63.200 0.030 0.000 0.779 58 S HN 0.617 nan 8.310 nan 0.000 0.487 59 K N -0.010 120.304 120.400 -0.143 0.000 2.367 59 K HA 0.135 4.451 4.320 -0.008 0.000 0.194 59 K C -0.150 176.285 176.600 -0.275 0.000 1.027 59 K CA -0.162 55.984 56.287 -0.234 0.000 1.075 59 K CB -0.115 32.184 32.500 -0.335 0.000 0.845 59 K HN 0.373 nan 8.250 nan 0.000 0.529 60 H N 2.196 121.271 119.070 0.009 0.000 2.818 60 H HA 0.216 4.767 4.556 -0.008 0.000 0.269 60 H C -0.119 175.209 175.328 0.001 0.000 1.277 60 H CA -0.379 55.670 56.048 0.002 0.000 1.290 60 H CB 1.198 30.972 29.762 0.020 0.000 1.479 60 H HN 0.057 nan 8.280 nan 0.000 0.507 61 K N 1.666 122.113 120.400 0.078 0.000 2.437 61 K HA 0.220 4.536 4.320 -0.008 0.000 0.198 61 K C 1.010 177.630 176.600 0.033 0.000 1.024 61 K CA 0.063 56.376 56.287 0.043 0.000 1.148 61 K CB 0.650 33.160 32.500 0.016 0.000 0.860 61 K HN 0.888 nan 8.250 nan 0.000 0.515 62 G N 1.246 110.073 108.800 0.046 0.000 2.462 62 G HA2 -0.164 3.791 3.960 -0.008 0.000 0.685 62 G HA3 -0.164 3.791 3.960 -0.008 0.000 0.685 62 G C -1.838 173.062 174.900 -0.000 0.000 1.295 62 G CA -0.771 44.336 45.100 0.013 0.000 0.941 62 G HN 0.126 nan 8.290 nan 0.000 0.554 63 D N 0.705 121.092 120.400 -0.021 0.000 2.464 63 D HA 0.487 5.122 4.640 -0.008 0.000 0.243 63 D C 0.704 176.976 176.300 -0.045 0.000 1.104 63 D CA -0.063 53.917 54.000 -0.034 0.000 0.883 63 D CB 0.474 41.251 40.800 -0.040 0.000 1.050 63 D HN 0.438 nan 8.370 nan 0.000 0.524 64 T N 4.086 118.607 114.554 -0.056 0.000 2.891 64 T HA -0.028 4.318 4.350 -0.008 0.000 0.296 64 T C 0.455 175.111 174.700 -0.073 0.000 1.025 64 T CA 0.250 62.312 62.100 -0.063 0.000 1.149 64 T CB 0.569 69.388 68.868 -0.081 0.000 1.007 64 T HN 0.151 nan 8.240 nan 0.000 0.528 65 K N 3.492 123.859 120.400 -0.056 0.000 2.123 65 K HA 0.545 4.860 4.320 -0.008 0.000 0.259 65 K C 0.091 176.659 176.600 -0.055 0.000 0.960 65 K CA -0.448 55.806 56.287 -0.055 0.000 0.872 65 K CB 1.715 34.194 32.500 -0.036 0.000 1.079 65 K HN 0.575 nan 8.250 nan 0.000 0.440 66 M N 0.425 119.990 119.600 -0.058 0.000 2.644 66 M HA 0.274 4.749 4.480 -0.008 0.000 0.316 66 M C 0.374 176.666 176.300 -0.012 0.000 1.200 66 M CA -0.802 54.473 55.300 -0.042 0.000 0.944 66 M CB 1.999 34.554 32.600 -0.076 0.000 1.691 66 M HN 0.649 nan 8.290 nan 0.000 0.471 67 S N 0.479 116.184 115.700 0.009 0.000 2.672 67 S HA 0.576 5.041 4.470 -0.008 0.000 0.276 67 S C 0.876 175.491 174.600 0.025 0.000 1.207 67 S CA -0.380 57.828 58.200 0.014 0.000 1.002 67 S CB 1.436 64.644 63.200 0.014 0.000 0.998 67 S HN 0.772 nan 8.310 nan 0.000 0.542 68 A N 0.695 123.528 122.820 0.021 0.000 2.076 68 A HA -0.078 4.237 4.320 -0.008 0.000 0.220 68 A C 2.040 179.644 177.584 0.034 0.000 1.160 68 A CA 1.233 53.286 52.037 0.027 0.000 0.653 68 A CB -0.703 18.308 19.000 0.019 0.000 0.801 68 A HN 0.843 nan 8.150 nan 0.000 0.455 69 E N 0.538 120.754 120.200 0.027 0.000 2.033 69 E HA -0.124 4.221 4.350 -0.008 0.000 0.189 69 E C 1.374 178.001 176.600 0.045 0.000 0.979 69 E CA 1.207 57.619 56.400 0.020 0.000 0.802 69 E CB -0.485 29.215 29.700 0.000 0.000 0.763 69 E HN 0.620 nan 8.360 nan 0.000 0.449 70 D N 1.346 121.792 120.400 0.076 0.000 2.097 70 D HA -0.122 4.513 4.640 -0.008 0.000 0.195 70 D C 1.893 178.354 176.300 0.268 0.000 0.989 70 D CA 0.923 55.036 54.000 0.188 0.000 0.827 70 D CB -0.104 40.826 40.800 0.216 0.000 0.966 70 D HN 0.146 nan 8.370 nan 0.000 0.456 71 K N 1.090 121.584 120.400 0.155 0.000 2.059 71 K HA -0.171 4.145 4.320 -0.008 0.000 0.212 71 K C 2.260 178.977 176.600 0.195 0.000 1.050 71 K CA 1.469 57.848 56.287 0.153 0.000 0.927 71 K CB -0.213 32.336 32.500 0.080 0.000 0.714 71 K HN 0.035 nan 8.250 nan 0.000 0.447 72 A N 1.391 124.290 122.820 0.132 0.000 1.908 72 A HA -0.176 4.139 4.320 -0.008 0.000 0.218 72 A C 2.138 179.793 177.584 0.118 0.000 1.181 72 A CA 1.358 53.457 52.037 0.102 0.000 0.627 72 A CB -0.538 18.497 19.000 0.058 0.000 0.818 72 A HN 0.263 nan 8.150 nan 0.000 0.445 73 L N -1.736 119.570 121.223 0.139 0.000 2.005 73 L HA -0.051 4.284 4.340 -0.008 0.000 0.207 73 L C 2.200 179.224 176.870 0.257 0.000 1.072 73 L CA 2.248 57.154 54.840 0.110 0.000 0.744 73 L CB -0.836 41.200 42.059 -0.039 0.000 0.895 73 L HN 0.397 nan 8.230 nan 0.000 0.433 74 F N 0.622 120.773 119.950 0.336 0.000 2.095 74 F HA -0.257 4.267 4.527 -0.006 0.000 0.298 74 F C 2.816 178.689 175.800 0.122 0.000 1.104 74 F CA 2.186 60.365 58.000 0.298 0.000 1.232 74 F CB -0.366 38.682 39.000 0.080 0.000 0.987 74 F HN 0.120 nan 8.300 nan 0.000 0.475 75 R N 0.238 120.849 120.500 0.186 0.000 2.105 75 R HA -0.159 4.176 4.340 -0.008 0.000 0.239 75 R C 2.426 178.719 176.300 -0.012 0.000 1.135 75 R CA 1.614 57.751 56.100 0.061 0.000 0.967 75 R CB -0.220 30.147 30.300 0.111 0.000 0.861 75 R HN 0.275 nan 8.270 nan 0.000 0.442 76 R N -0.507 120.002 120.500 0.016 0.000 2.073 76 R HA -0.072 4.264 4.340 -0.008 0.000 0.229 76 R C 2.441 178.724 176.300 -0.028 0.000 1.120 76 R CA 1.482 57.584 56.100 0.002 0.000 0.967 76 R CB -0.312 29.997 30.300 0.014 0.000 0.862 76 R HN 0.332 nan 8.270 nan 0.000 0.436 77 C N 0.146 119.414 119.300 -0.053 0.000 2.435 77 C HA 0.005 4.460 4.460 -0.008 0.000 0.279 77 C C 2.820 177.721 174.990 -0.149 0.000 1.321 77 C CA 0.651 59.624 59.018 -0.075 0.000 1.752 77 C CB -0.850 26.858 27.740 -0.054 0.000 1.959 77 C HN 0.546 nan 8.230 nan 0.000 0.500 78 A N 0.274 122.922 122.820 -0.287 0.000 2.016 78 A HA 0.275 4.590 4.320 -0.008 0.000 0.217 78 A C 2.282 179.799 177.584 -0.113 0.000 1.162 78 A CA 1.588 53.452 52.037 -0.288 0.000 0.662 78 A CB -0.523 18.212 19.000 -0.441 0.000 0.812 78 A HN 0.529 nan 8.150 nan 0.000 0.450 79 A N 0.092 122.872 122.820 -0.067 0.000 1.898 79 A HA -0.082 4.234 4.320 -0.008 0.000 0.214 79 A C 1.764 179.339 177.584 -0.015 0.000 1.183 79 A CA 1.464 53.495 52.037 -0.011 0.000 0.622 79 A CB -0.404 18.609 19.000 0.021 0.000 0.824 79 A HN 0.428 nan 8.150 nan 0.000 0.444 80 D N -1.279 119.119 120.400 -0.003 0.000 2.097 80 D HA -0.178 4.458 4.640 -0.008 0.000 0.195 80 D C 1.716 178.017 176.300 0.001 0.000 0.989 80 D CA 1.711 55.716 54.000 0.009 0.000 0.827 80 D CB -0.399 40.419 40.800 0.030 0.000 0.966 80 D HN 0.553 nan 8.370 nan 0.000 0.456 81 Y N 1.870 122.095 120.300 -0.125 0.000 2.145 81 Y HA -0.137 4.408 4.550 -0.007 0.000 0.286 81 Y C 2.343 178.098 175.900 -0.243 0.000 1.145 81 Y CA 1.472 59.482 58.100 -0.150 0.000 1.148 81 Y CB -0.556 37.815 38.460 -0.148 0.000 0.981 81 Y HN -0.062 nan 8.280 nan 0.000 0.507 82 A N -0.933 121.681 122.820 -0.343 0.000 1.948 82 A HA -0.261 4.054 4.320 -0.008 0.000 0.220 82 A C 2.536 179.641 177.584 -0.799 0.000 1.177 82 A CA 2.231 53.834 52.037 -0.724 0.000 0.636 82 A CB -1.420 17.249 19.000 -0.551 0.000 0.815 82 A HN 0.532 nan 8.150 nan 0.000 0.449 83 S N -0.740 114.738 115.700 -0.370 0.000 2.345 83 S HA -0.193 4.272 4.470 -0.008 0.000 0.220 83 S C 2.235 176.712 174.600 -0.206 0.000 1.031 83 S CA 1.651 59.736 58.200 -0.191 0.000 0.996 83 S CB -0.336 62.848 63.200 -0.026 0.000 0.882 83 S HN 0.585 nan 8.310 nan 0.000 0.445 84 R N 0.710 121.081 120.500 -0.216 0.000 2.091 84 R HA -0.018 4.317 4.340 -0.008 0.000 0.238 84 R C 2.117 178.260 176.300 -0.262 0.000 1.136 84 R CA 1.716 57.703 56.100 -0.187 0.000 0.959 84 R CB -1.116 29.097 30.300 -0.145 0.000 0.856 84 R HN 0.477 nan 8.270 nan 0.000 0.437 85 L N 0.009 120.943 121.223 -0.482 0.000 1.973 85 L HA -0.119 4.217 4.340 -0.008 0.000 0.208 85 L C 1.827 178.606 176.870 -0.150 0.000 1.073 85 L CA 2.158 56.734 54.840 -0.441 0.000 0.746 85 L CB -0.829 40.796 42.059 -0.724 0.000 0.891 85 L HN 0.411 nan 8.230 nan 0.000 0.433 86 H N -2.051 116.855 119.070 -0.273 0.000 2.543 86 H HA -0.074 4.477 4.556 -0.008 0.000 0.286 86 H C 2.090 177.365 175.328 -0.087 0.000 1.037 86 H CA 0.618 56.563 56.048 -0.171 0.000 1.250 86 H CB 0.127 29.694 29.762 -0.325 0.000 1.373 86 H HN 0.387 nan 8.280 nan 0.000 0.580 87 S N 0.037 115.745 115.700 0.015 0.000 2.603 87 S HA -0.030 4.435 4.470 -0.008 0.000 0.229 87 S C 1.588 176.190 174.600 0.004 0.000 0.972 87 S CA 0.322 58.532 58.200 0.016 0.000 0.935 87 S CB 0.046 63.240 63.200 -0.009 0.000 0.769 87 S HN 0.178 nan 8.310 nan 0.000 0.536 88 V N 0.432 120.344 119.914 -0.004 0.000 3.001 88 V HA 0.221 4.336 4.120 -0.008 0.000 0.228 88 V C 1.952 178.042 176.094 -0.007 0.000 1.204 88 V CA 0.317 62.610 62.300 -0.012 0.000 1.247 88 V CB -0.624 31.181 31.823 -0.030 0.000 1.093 88 V HN 0.323 nan 8.190 nan 0.000 0.504 89 L N 1.061 122.282 121.223 -0.002 0.000 2.349 89 L HA 0.200 4.536 4.340 -0.008 0.000 0.220 89 L C 1.325 178.184 176.870 -0.018 0.000 1.130 89 L CA 1.177 56.007 54.840 -0.018 0.000 0.791 89 L CB -1.203 40.853 42.059 -0.005 0.000 0.918 89 L HN 0.647 nan 8.230 nan 0.000 0.444 90 G N 0.019 108.822 108.800 0.004 0.000 2.698 90 G HA2 -0.277 3.678 3.960 -0.008 0.000 0.225 90 G HA3 -0.277 3.678 3.960 -0.008 0.000 0.225 90 G C 0.356 175.241 174.900 -0.024 0.000 1.345 90 G CA -0.101 44.998 45.100 -0.002 0.000 0.871 90 G HN 0.212 nan 8.290 nan 0.000 0.540 91 T N -2.588 111.956 114.554 -0.017 0.000 3.129 91 T HA 0.632 4.978 4.350 -0.008 0.000 0.267 91 T C 1.067 175.712 174.700 -0.092 0.000 1.018 91 T CA 1.315 63.401 62.100 -0.023 0.000 0.903 91 T CB 0.716 69.622 68.868 0.064 0.000 1.067 91 T HN 2.108 nan 8.240 nan 0.000 0.549 92 A N 2.137 124.896 122.820 -0.101 0.000 3.037 92 A HA 0.420 4.735 4.320 -0.008 0.000 0.272 92 A C 0.673 178.144 177.584 -0.189 0.000 1.723 92 A CA -0.666 51.302 52.037 -0.114 0.000 1.413 92 A CB -0.597 18.359 19.000 -0.072 0.000 1.112 92 A HN 0.425 nan 8.150 nan 0.000 0.606 93 N N 1.121 119.627 118.700 -0.323 0.000 2.416 93 N HA 0.208 4.944 4.740 -0.008 0.000 0.267 93 N C 0.345 175.610 175.510 -0.408 0.000 1.294 93 N CA 0.168 52.899 53.050 -0.532 0.000 0.891 93 N CB 1.073 38.728 38.487 -1.388 0.000 1.238 93 N HN 0.649 nan 8.380 nan 0.000 0.508 94 A N 2.271 124.968 122.820 -0.204 0.000 2.507 94 A HA 0.229 4.545 4.320 -0.008 0.000 0.235 94 A C -1.813 175.732 177.584 -0.065 0.000 1.070 94 A CA -0.505 51.472 52.037 -0.099 0.000 0.768 94 A CB -0.298 18.670 19.000 -0.053 0.000 1.011 94 A HN 0.070 nan 8.150 nan 0.000 0.502 95 P HA 0.246 nan 4.420 nan 0.000 0.270 95 P C -1.044 176.248 177.300 -0.013 0.000 1.223 95 P CA -0.051 63.047 63.100 -0.004 0.000 0.785 95 P CB 0.400 32.128 31.700 0.047 0.000 0.923 96 L N 1.227 122.432 121.223 -0.030 0.000 2.322 96 L HA 0.295 4.631 4.340 -0.008 0.000 0.279 96 L C 1.135 178.010 176.870 0.008 0.000 1.036 96 L CA -0.195 54.639 54.840 -0.010 0.000 0.807 96 L CB 0.844 42.891 42.059 -0.020 0.000 1.226 96 L HN 0.421 nan 8.230 nan 0.000 0.433 97 S N 1.948 117.673 115.700 0.042 0.000 2.576 97 S HA 0.094 4.559 4.470 -0.008 0.000 0.272 97 S C 1.406 176.051 174.600 0.075 0.000 1.352 97 S CA -0.344 57.897 58.200 0.069 0.000 1.021 97 S CB 0.250 63.510 63.200 0.101 0.000 0.887 97 S HN 0.713 nan 8.310 nan 0.000 0.542 98 I N 0.775 121.396 120.570 0.085 0.000 2.399 98 I HA -0.204 3.961 4.170 -0.008 0.000 0.254 98 I C 1.931 178.106 176.117 0.098 0.000 1.146 98 I CA 1.670 63.018 61.300 0.080 0.000 1.412 98 I CB -0.229 37.821 38.000 0.082 0.000 1.076 98 I HN 0.873 nan 8.210 nan 0.000 0.432 99 Y N 1.937 122.240 120.300 0.005 0.000 2.109 99 Y HA -0.254 4.292 4.550 -0.008 0.000 0.285 99 Y C 2.390 178.291 175.900 0.001 0.000 1.131 99 Y CA 2.066 60.168 58.100 0.003 0.000 1.121 99 Y CB -0.490 37.972 38.460 0.002 0.000 0.987 99 Y HN 0.219 nan 8.280 nan 0.000 0.495 100 E N 0.101 120.316 120.200 0.025 0.000 2.070 100 E HA -0.274 4.072 4.350 -0.008 0.000 0.197 100 E C 2.283 178.822 176.600 -0.102 0.000 1.004 100 E CA 1.225 57.584 56.400 -0.067 0.000 0.805 100 E CB -0.459 29.257 29.700 0.027 0.000 0.744 100 E HN 0.562 nan 8.360 nan 0.000 0.451 101 A N 0.602 123.389 122.820 -0.055 0.000 2.076 101 A HA -0.181 4.135 4.320 -0.008 0.000 0.220 101 A C 1.983 179.523 177.584 -0.073 0.000 1.160 101 A CA 1.167 53.172 52.037 -0.053 0.000 0.653 101 A CB -0.419 18.562 19.000 -0.032 0.000 0.801 101 A HN 0.159 nan 8.150 nan 0.000 0.455 102 I N -1.583 118.915 120.570 -0.120 0.000 3.025 102 I HA -0.027 4.139 4.170 -0.008 0.000 0.236 102 I C 1.699 177.706 176.117 -0.184 0.000 1.063 102 I CA 0.340 61.560 61.300 -0.132 0.000 1.476 102 I CB -0.254 37.670 38.000 -0.127 0.000 1.331 102 I HN -0.023 nan 8.210 nan 0.000 0.457 103 K N 1.860 122.054 120.400 -0.344 0.000 2.519 103 K HA 0.070 4.386 4.320 -0.008 0.000 0.196 103 K C 0.805 177.283 176.600 -0.204 0.000 1.041 103 K CA 0.756 56.846 56.287 -0.327 0.000 0.954 103 K CB -0.953 31.189 32.500 -0.598 0.000 0.774 103 K HN 0.585 nan 8.250 nan 0.000 0.480 104 G N 0.402 109.101 108.800 -0.168 0.000 2.782 104 G HA2 -0.240 3.716 3.960 -0.008 0.000 0.228 104 G HA3 -0.240 3.716 3.960 -0.008 0.000 0.228 104 G C -0.207 174.650 174.900 -0.072 0.000 1.372 104 G CA -0.263 44.785 45.100 -0.087 0.000 0.862 104 G HN 0.336 nan 8.290 nan 0.000 0.547 105 V N -4.062 115.833 119.914 -0.031 0.000 3.156 105 V HA 0.814 4.930 4.120 -0.008 0.000 0.310 105 V C 0.219 176.313 176.094 0.000 0.000 1.234 105 V CA -0.208 62.084 62.300 -0.014 0.000 1.065 105 V CB 1.904 33.719 31.823 -0.013 0.000 1.088 105 V HN 1.020 nan 8.190 nan 0.000 0.451 106 D N 1.033 121.435 120.400 0.003 0.000 2.359 106 D HA 0.383 5.018 4.640 -0.008 0.000 0.273 106 D C 1.024 177.333 176.300 0.015 0.000 1.362 106 D CA 1.960 55.965 54.000 0.009 0.000 1.010 106 D CB 0.157 40.961 40.800 0.005 0.000 1.090 106 D HN 1.527 nan 8.370 nan 0.000 0.521 107 G N 2.956 111.779 108.800 0.039 0.000 2.159 107 G HA2 -0.147 3.808 3.960 -0.008 0.000 0.170 107 G HA3 -0.147 3.808 3.960 -0.008 0.000 0.170 107 G C -0.300 174.694 174.900 0.157 0.000 1.007 107 G CA -0.076 45.074 45.100 0.082 0.000 0.672 107 G HN 0.541 nan 8.290 nan 0.000 0.507 108 L N 1.607 122.894 121.223 0.106 0.000 2.611 108 L HA 0.528 4.863 4.340 -0.008 0.000 0.263 108 L C -0.584 176.325 176.870 0.065 0.000 0.969 108 L CA -0.983 53.933 54.840 0.127 0.000 0.894 108 L CB 1.118 43.211 42.059 0.057 0.000 1.229 108 L HN 0.072 nan 8.230 nan 0.000 0.416 109 D N 2.925 123.365 120.400 0.066 0.000 2.419 109 D HA 0.269 4.904 4.640 -0.008 0.000 0.236 109 D C 0.332 176.636 176.300 0.006 0.000 1.165 109 D CA 0.670 54.684 54.000 0.024 0.000 0.882 109 D CB 1.260 42.070 40.800 0.017 0.000 1.201 109 D HN 0.742 nan 8.370 nan 0.000 0.443 110 A N 1.972 124.782 122.820 -0.016 0.000 2.327 110 A HA 0.266 4.581 4.320 -0.008 0.000 0.255 110 A C 0.611 178.181 177.584 -0.024 0.000 1.099 110 A CA -0.323 51.692 52.037 -0.036 0.000 0.801 110 A CB 0.237 19.205 19.000 -0.053 0.000 1.062 110 A HN 0.577 nan 8.150 nan 0.000 0.496 111 M N 1.101 120.682 119.600 -0.030 0.000 2.243 111 M HA 0.112 4.587 4.480 -0.008 0.000 0.341 111 M C 0.096 176.386 176.300 -0.017 0.000 1.130 111 M CA 0.032 55.320 55.300 -0.019 0.000 1.162 111 M CB 0.238 32.826 32.600 -0.020 0.000 1.497 111 M HN 0.563 nan 8.290 nan 0.000 0.456 112 E N 3.996 124.188 120.200 -0.013 0.000 2.351 112 E HA 0.032 4.377 4.350 -0.008 0.000 0.266 112 E C -1.558 175.036 176.600 -0.010 0.000 1.031 112 E CA -1.201 55.191 56.400 -0.013 0.000 0.911 112 E CB 0.350 30.041 29.700 -0.015 0.000 0.986 112 E HN 0.408 nan 8.360 nan 0.000 0.446 113 P HA -0.051 nan 4.420 nan 0.000 0.224 113 P C 0.081 177.379 177.300 -0.004 0.000 1.157 113 P CA 0.899 63.993 63.100 -0.009 0.000 0.799 113 P CB 0.354 32.049 31.700 -0.010 0.000 0.809 114 D N 0.320 120.718 120.400 -0.003 0.000 2.634 114 D HA 0.443 5.079 4.640 -0.008 0.000 0.318 114 D C 0.289 176.589 176.300 -0.000 0.000 1.226 114 D CA -0.283 53.718 54.000 0.002 0.000 0.899 114 D CB 0.030 40.832 40.800 0.004 0.000 1.025 114 D HN 0.225 nan 8.370 nan 0.000 0.501 115 T N -3.579 110.974 114.554 -0.001 0.000 2.804 115 T HA 0.739 5.084 4.350 -0.008 0.000 0.290 115 T C 0.513 175.209 174.700 -0.006 0.000 1.099 115 T CA -0.098 61.992 62.100 -0.017 0.000 1.011 115 T CB 1.206 70.052 68.868 -0.037 0.000 1.291 115 T HN 1.101 nan 8.240 nan 0.000 0.523 116 A N 2.866 125.657 122.820 -0.049 0.000 2.558 116 A HA 0.302 4.618 4.320 -0.008 0.000 0.262 116 A C -0.510 177.107 177.584 0.055 0.000 1.049 116 A CA -0.573 51.451 52.037 -0.020 0.000 0.804 116 A CB -0.634 18.238 19.000 -0.214 0.000 0.957 116 A HN 0.744 nan 8.150 nan 0.000 0.520 117 P HA 0.013 nan 4.420 nan 0.000 0.220 117 P C 1.005 178.493 177.300 0.313 0.000 1.148 117 P CA 1.631 64.863 63.100 0.219 0.000 0.803 117 P CB 0.037 31.877 31.700 0.234 0.000 0.782 118 G N -0.213 108.722 108.800 0.225 0.000 2.418 118 G HA2 -0.062 3.894 3.960 -0.008 0.000 0.206 118 G HA3 -0.062 3.894 3.960 -0.008 0.000 0.206 118 G C -1.555 173.398 174.900 0.088 0.000 1.202 118 G CA -0.507 44.673 45.100 0.134 0.000 1.061 118 G HN 0.274 nan 8.290 nan 0.000 0.563 119 L N 0.145 121.295 121.223 -0.122 0.000 2.434 119 L HA 0.490 4.825 4.340 -0.008 0.000 0.260 119 L C -2.122 174.406 176.870 -0.571 0.000 0.983 119 L CA -1.793 52.937 54.840 -0.183 0.000 0.820 119 L CB 2.786 44.804 42.059 -0.067 0.000 1.361 119 L HN 0.358 nan 8.230 nan 0.000 0.410 120 P HA -0.004 nan 4.420 nan 0.000 0.245 120 P C 0.895 178.298 177.300 0.171 0.000 1.212 120 P CA 0.432 63.459 63.100 -0.122 0.000 0.774 120 P CB 0.079 31.742 31.700 -0.061 0.000 0.999 121 W N 0.489 121.836 121.300 0.077 0.000 2.303 121 W HA -0.261 4.395 4.660 -0.006 0.000 0.287 121 W C 2.177 178.737 176.519 0.067 0.000 1.213 121 W CA 0.191 57.576 57.345 0.067 0.000 1.203 121 W CB -0.699 28.800 29.460 0.065 0.000 1.136 121 W HN 0.036 nan 8.180 nan 0.000 0.547 122 A N 0.785 123.782 122.820 0.294 0.000 1.874 122 A HA -0.105 4.210 4.320 -0.008 0.000 0.214 122 A C 1.861 179.539 177.584 0.157 0.000 1.189 122 A CA 1.528 53.687 52.037 0.203 0.000 0.615 122 A CB -0.947 18.157 19.000 0.173 0.000 0.830 122 A HN 0.284 nan 8.150 nan 0.000 0.443 123 L N -1.969 119.337 121.223 0.138 0.000 2.376 123 L HA 0.045 4.381 4.340 -0.008 0.000 0.219 123 L C 1.535 178.478 176.870 0.122 0.000 1.133 123 L CA 1.501 56.406 54.840 0.108 0.000 0.816 123 L CB -0.918 41.189 42.059 0.080 0.000 0.933 123 L HN 0.343 nan 8.230 nan 0.000 0.449 124 Q N 0.897 120.800 119.800 0.171 0.000 2.228 124 Q HA 0.269 4.605 4.340 -0.008 0.000 0.211 124 Q C 1.237 177.312 176.000 0.125 0.000 0.890 124 Q CA 0.291 56.191 55.803 0.161 0.000 0.953 124 Q CB 0.097 28.976 28.738 0.236 0.000 1.053 124 Q HN 0.694 nan 8.270 nan 0.000 0.471 125 G N 2.709 111.578 108.800 0.116 0.000 2.380 125 G HA2 -0.343 3.613 3.960 -0.008 0.000 0.298 125 G HA3 -0.343 3.613 3.960 -0.008 0.000 0.298 125 G C -0.121 174.824 174.900 0.074 0.000 0.989 125 G CA 1.119 46.273 45.100 0.090 0.000 0.836 125 G HN 0.434 nan 8.290 nan 0.000 0.511 126 K N -0.475 119.977 120.400 0.086 0.000 2.358 126 K HA 0.669 4.984 4.320 -0.008 0.000 0.260 126 K C 0.578 177.198 176.600 0.034 0.000 0.956 126 K CA -1.200 55.103 56.287 0.028 0.000 0.834 126 K CB 1.790 34.267 32.500 -0.039 0.000 1.102 126 K HN 0.421 nan 8.250 nan 0.000 0.431 127 R N 1.894 122.402 120.500 0.013 0.000 2.602 127 R HA 0.376 4.712 4.340 -0.008 0.000 0.237 127 R C 0.522 176.800 176.300 -0.036 0.000 1.219 127 R CA -0.958 55.155 56.100 0.022 0.000 1.121 127 R CB 0.519 30.839 30.300 0.032 0.000 1.408 127 R HN 0.567 nan 8.270 nan 0.000 0.559 128 R N -0.190 120.301 120.500 -0.016 0.000 2.211 128 R HA -0.115 4.220 4.340 -0.008 0.000 0.240 128 R C 1.976 178.244 176.300 -0.053 0.000 1.144 128 R CA 1.646 57.721 56.100 -0.042 0.000 0.992 128 R CB -0.670 29.625 30.300 -0.009 0.000 0.869 128 R HN 0.916 nan 8.270 nan 0.000 0.462 129 G N 0.114 108.892 108.800 -0.036 0.000 2.559 129 G HA2 -0.107 3.848 3.960 -0.008 0.000 0.216 129 G HA3 -0.107 3.848 3.960 -0.008 0.000 0.216 129 G C 0.792 175.661 174.900 -0.050 0.000 1.126 129 G CA 0.665 45.745 45.100 -0.033 0.000 0.778 129 G HN 0.371 nan 8.290 nan 0.000 0.543 130 A N -0.519 122.252 122.820 -0.080 0.000 2.643 130 A HA 0.702 5.018 4.320 -0.008 0.000 0.295 130 A C 0.922 178.400 177.584 -0.177 0.000 1.065 130 A CA -0.269 51.706 52.037 -0.104 0.000 0.986 130 A CB 0.207 19.154 19.000 -0.089 0.000 1.212 130 A HN 0.228 nan 8.150 nan 0.000 0.516 131 L N -1.509 119.607 121.223 -0.179 0.000 2.718 131 L HA 0.507 4.843 4.340 -0.008 0.000 0.247 131 L C -0.277 176.508 176.870 -0.143 0.000 1.028 131 L CA 0.443 55.135 54.840 -0.247 0.000 1.031 131 L CB 0.513 42.341 42.059 -0.384 0.000 1.910 131 L HN 0.249 nan 8.230 nan 0.000 0.526 132 I N -0.400 120.114 120.570 -0.092 0.000 2.827 132 I HA 0.252 4.418 4.170 -0.008 0.000 0.298 132 I C -1.587 174.512 176.117 -0.031 0.000 1.235 132 I CA -0.568 60.703 61.300 -0.049 0.000 1.021 132 I CB 2.885 40.866 38.000 -0.031 0.000 1.259 132 I HN -0.146 nan 8.210 nan 0.000 0.427 133 D N 4.459 124.850 120.400 -0.015 0.000 2.443 133 D HA 0.313 4.948 4.640 -0.008 0.000 0.221 133 D C 0.314 176.615 176.300 0.001 0.000 1.097 133 D CA -0.060 53.938 54.000 -0.005 0.000 0.865 133 D CB 0.868 41.671 40.800 0.005 0.000 1.034 133 D HN 0.463 nan 8.370 nan 0.000 0.511 134 F N 2.617 122.562 119.950 -0.009 0.000 2.703 134 F HA 0.205 4.728 4.527 -0.008 0.000 0.299 134 F C 1.320 177.112 175.800 -0.014 0.000 1.229 134 F CA 0.116 58.105 58.000 -0.020 0.000 1.430 134 F CB -0.524 38.461 39.000 -0.025 0.000 1.053 134 F HN 0.452 nan 8.300 nan 0.000 0.513 135 E N -0.444 119.764 120.200 0.013 0.000 2.279 135 E HA -0.048 4.298 4.350 -0.008 0.000 0.199 135 E C 1.855 178.506 176.600 0.085 0.000 0.893 135 E CA 0.614 57.033 56.400 0.031 0.000 0.978 135 E CB -0.086 29.630 29.700 0.027 0.000 0.964 135 E HN 0.616 nan 8.360 nan 0.000 0.486 136 N N 0.584 119.344 118.700 0.100 0.000 2.424 136 N HA -0.021 4.715 4.740 -0.008 0.000 0.178 136 N C 0.996 176.694 175.510 0.313 0.000 1.060 136 N CA 1.205 54.353 53.050 0.163 0.000 0.901 136 N CB 0.832 39.371 38.487 0.087 0.000 0.979 136 N HN 0.184 nan 8.380 nan 0.000 0.451 137 G N 0.559 109.482 108.800 0.205 0.000 2.325 137 G HA2 -0.181 3.775 3.960 -0.008 0.000 0.248 137 G HA3 -0.181 3.775 3.960 -0.008 0.000 0.248 137 G C -0.240 174.779 174.900 0.199 0.000 1.108 137 G CA 0.287 45.519 45.100 0.220 0.000 0.881 137 G HN 0.834 nan 8.290 nan 0.000 0.494 138 T N -3.330 111.285 114.554 0.100 0.000 2.900 138 T HA 0.848 5.194 4.350 -0.008 0.000 0.303 138 T C 0.152 174.871 174.700 0.032 0.000 1.142 138 T CA -0.218 61.923 62.100 0.069 0.000 1.007 138 T CB 2.615 71.516 68.868 0.056 0.000 1.156 138 T HN 1.721 nan 8.240 nan 0.000 0.490 139 V N 0.212 120.141 119.914 0.024 0.000 2.973 139 V HA 0.974 5.090 4.120 -0.008 0.000 0.314 139 V C 0.877 176.966 176.094 -0.009 0.000 1.066 139 V CA -0.147 62.155 62.300 0.005 0.000 1.021 139 V CB 0.768 32.599 31.823 0.012 0.000 1.076 139 V HN 1.278 nan 8.190 nan 0.000 0.462 140 G N 0.649 109.428 108.800 -0.035 0.000 2.531 140 G HA2 0.497 4.452 3.960 -0.008 0.000 0.253 140 G HA3 0.497 4.452 3.960 -0.008 0.000 0.253 140 G C -1.401 173.477 174.900 -0.036 0.000 1.439 140 G CA -0.204 44.868 45.100 -0.047 0.000 1.056 140 G HN 0.680 nan 8.290 nan 0.000 0.555 141 P HA -0.006 nan 4.420 nan 0.000 0.211 141 P C 1.156 178.455 177.300 -0.001 0.000 1.191 141 P CA 1.216 64.304 63.100 -0.020 0.000 0.909 141 P CB 0.176 31.862 31.700 -0.023 0.000 0.770 142 E N 0.086 120.266 120.200 -0.033 0.000 2.108 142 E HA -0.157 4.188 4.350 -0.008 0.000 0.203 142 E C 2.144 178.835 176.600 0.152 0.000 1.022 142 E CA 1.247 57.678 56.400 0.052 0.000 0.823 142 E CB -1.624 27.942 29.700 -0.223 0.000 0.744 142 E HN 0.039 nan 8.360 nan 0.000 0.456 143 V N 0.677 120.627 119.914 0.059 0.000 2.216 143 V HA -0.279 3.836 4.120 -0.008 0.000 0.243 143 V C 2.321 178.445 176.094 0.050 0.000 1.044 143 V CA 2.108 64.466 62.300 0.096 0.000 0.995 143 V CB -0.712 31.131 31.823 0.034 0.000 0.633 143 V HN 0.234 nan 8.190 nan 0.000 0.446 144 E N 0.834 121.049 120.200 0.024 0.000 2.187 144 E HA -0.264 4.081 4.350 -0.008 0.000 0.199 144 E C 2.006 178.611 176.600 0.008 0.000 1.004 144 E CA 1.843 58.251 56.400 0.012 0.000 0.813 144 E CB -0.606 29.102 29.700 0.013 0.000 0.736 144 E HN 0.541 nan 8.360 nan 0.000 0.468 145 A N 0.558 123.399 122.820 0.035 0.000 1.908 145 A HA -0.100 4.216 4.320 -0.008 0.000 0.218 145 A C 2.464 180.062 177.584 0.023 0.000 1.181 145 A CA 2.390 54.455 52.037 0.046 0.000 0.627 145 A CB -1.051 18.003 19.000 0.091 0.000 0.818 145 A HN 0.423 nan 8.150 nan 0.000 0.445 146 A N -0.509 122.312 122.820 0.001 0.000 1.898 146 A HA 0.048 4.363 4.320 -0.008 0.000 0.216 146 A C 2.028 179.468 177.584 -0.240 0.000 1.181 146 A CA 1.383 53.337 52.037 -0.139 0.000 0.620 146 A CB -0.469 18.344 19.000 -0.311 0.000 0.819 146 A HN 0.379 nan 8.150 nan 0.000 0.442 147 L N 0.120 121.232 121.223 -0.185 0.000 1.997 147 L HA -0.231 4.104 4.340 -0.008 0.000 0.216 147 L C 2.278 179.029 176.870 -0.200 0.000 1.074 147 L CA 2.339 57.052 54.840 -0.211 0.000 0.763 147 L CB -1.377 40.646 42.059 -0.061 0.000 0.890 147 L HN 0.464 nan 8.230 nan 0.000 0.434 148 K N -0.779 119.563 120.400 -0.098 0.000 2.280 148 K HA -0.177 4.139 4.320 -0.008 0.000 0.202 148 K C 1.921 178.469 176.600 -0.085 0.000 1.047 148 K CA 0.646 56.893 56.287 -0.067 0.000 0.942 148 K CB -0.083 32.402 32.500 -0.025 0.000 0.739 148 K HN 0.104 nan 8.250 nan 0.000 0.457 149 L N 0.400 121.568 121.223 -0.092 0.000 2.168 149 L HA 0.050 4.385 4.340 -0.008 0.000 0.203 149 L C 1.913 178.722 176.870 -0.102 0.000 1.078 149 L CA 1.357 56.171 54.840 -0.042 0.000 0.780 149 L CB -0.038 42.064 42.059 0.071 0.000 0.939 149 L HN 0.090 nan 8.230 nan 0.000 0.451 150 M N -1.092 118.374 119.600 -0.224 0.000 2.394 150 M HA -0.105 4.370 4.480 -0.008 0.000 0.264 150 M C 1.472 177.478 176.300 -0.489 0.000 1.073 150 M CA 0.959 56.078 55.300 -0.303 0.000 1.111 150 M CB -0.167 32.029 32.600 -0.674 0.000 1.401 150 M HN 0.135 nan 8.290 nan 0.000 0.448 151 E N 0.978 120.947 120.200 -0.385 0.000 2.494 151 E HA -0.027 4.319 4.350 -0.008 0.000 0.193 151 E C 0.570 177.082 176.600 -0.147 0.000 1.074 151 E CA 0.723 57.023 56.400 -0.165 0.000 0.867 151 E CB 0.106 29.770 29.700 -0.060 0.000 0.924 151 E HN 0.318 nan 8.360 nan 0.000 0.502 152 K N -0.230 120.020 120.400 -0.250 0.000 2.520 152 K HA 0.264 4.580 4.320 -0.008 0.000 0.206 152 K C -0.579 175.794 176.600 -0.378 0.000 1.122 152 K CA -0.296 55.856 56.287 -0.226 0.000 1.045 152 K CB 0.776 33.199 32.500 -0.128 0.000 0.932 152 K HN -0.067 nan 8.250 nan 0.000 0.571 153 R N 1.348 121.395 120.500 -0.756 0.000 3.205 153 R HA -0.196 4.140 4.340 -0.008 0.000 0.249 153 R C -0.813 175.251 176.300 -0.394 0.000 0.937 153 R CA 0.801 56.141 56.100 -1.267 0.000 0.641 153 R CB -1.960 27.654 30.300 -1.144 0.000 1.114 153 R HN 0.424 nan 8.270 nan 0.000 0.451 154 E N -0.226 119.909 120.200 -0.108 0.000 3.085 154 E HA 0.020 4.365 4.350 -0.008 0.000 0.179 154 E C -1.221 175.524 176.600 0.242 0.000 0.951 154 E CA -0.310 56.143 56.400 0.088 0.000 1.326 154 E CB 0.536 30.245 29.700 0.016 0.000 1.043 154 E HN 0.322 nan 8.360 nan 0.000 0.457 155 Y N 3.370 123.848 120.300 0.298 0.000 2.434 155 Y HA 0.239 4.786 4.550 -0.006 0.000 0.341 155 Y C -0.196 175.852 175.900 0.246 0.000 0.965 155 Y CA -1.182 57.093 58.100 0.291 0.000 1.205 155 Y CB 0.281 38.968 38.460 0.378 0.000 1.121 155 Y HN -0.119 nan 8.280 nan 0.000 0.507 156 K N 5.687 125.895 120.400 -0.320 0.000 2.098 156 K HA 0.753 5.068 4.320 -0.008 0.000 0.258 156 K C -1.383 174.814 176.600 -0.673 0.000 0.973 156 K CA -0.513 55.487 56.287 -0.477 0.000 0.898 156 K CB 1.757 34.100 32.500 -0.263 0.000 1.057 156 K HN 0.528 nan 8.250 nan 0.000 0.447 157 F N -2.007 117.613 119.950 -0.549 0.000 2.877 157 F HA 0.736 5.259 4.527 -0.007 0.000 0.319 157 F C -2.124 173.508 175.800 -0.280 0.000 1.174 157 F CA -1.241 56.470 58.000 -0.481 0.000 0.903 157 F CB 0.724 39.357 39.000 -0.612 0.000 1.357 157 F HN 0.728 nan 8.300 nan 0.000 0.472 158 A N 0.071 123.008 122.820 0.195 0.000 2.498 158 A HA 0.756 5.072 4.320 -0.008 0.000 0.298 158 A C -1.586 176.123 177.584 0.207 0.000 1.075 158 A CA -0.755 51.366 52.037 0.139 0.000 0.714 158 A CB 1.193 20.215 19.000 0.036 0.000 1.299 158 A HN 1.067 nan 8.150 nan 0.000 0.407 159 C N 0.993 120.412 119.300 0.198 0.000 2.350 159 C HA 0.634 5.090 4.460 -0.008 0.000 0.348 159 C C 0.393 175.447 174.990 0.107 0.000 1.260 159 C CA -0.313 58.779 59.018 0.124 0.000 1.966 159 C CB 0.568 28.354 27.740 0.076 0.000 2.380 159 C HN 0.882 nan 8.230 nan 0.000 0.535 160 Q N 1.691 121.564 119.800 0.121 0.000 2.278 160 Q HA 0.357 4.693 4.340 -0.008 0.000 0.257 160 Q C -0.525 175.638 176.000 0.273 0.000 0.928 160 Q CA 0.056 55.979 55.803 0.201 0.000 0.932 160 Q CB 0.964 29.879 28.738 0.294 0.000 1.221 160 Q HN 0.797 nan 8.270 nan 0.000 0.434 161 T N 4.127 118.816 114.554 0.225 0.000 2.856 161 T HA 0.460 4.805 4.350 -0.008 0.000 0.292 161 T C -0.925 173.914 174.700 0.232 0.000 0.980 161 T CA 0.019 62.260 62.100 0.235 0.000 1.091 161 T CB 0.244 69.258 68.868 0.242 0.000 0.936 161 T HN 0.334 nan 8.240 nan 0.000 0.503 162 F N 1.119 121.097 119.950 0.048 0.000 2.603 162 F HA 0.535 5.058 4.527 -0.007 0.000 0.317 162 F C -0.315 175.505 175.800 0.034 0.000 1.066 162 F CA -1.395 56.638 58.000 0.055 0.000 0.941 162 F CB 1.462 40.472 39.000 0.017 0.000 1.291 162 F HN 0.260 nan 8.300 nan 0.000 0.472 163 L N 2.573 123.923 121.223 0.212 0.000 2.321 163 L HA 0.336 4.672 4.340 -0.008 0.000 0.272 163 L C -0.009 176.930 176.870 0.115 0.000 1.050 163 L CA -0.712 54.203 54.840 0.125 0.000 0.893 163 L CB 0.766 42.895 42.059 0.116 0.000 1.272 163 L HN 0.523 nan 8.230 nan 0.000 0.435 164 K N 2.090 122.541 120.400 0.085 0.000 2.440 164 K HA -0.130 4.186 4.320 -0.008 0.000 0.275 164 K C -0.039 176.586 176.600 0.042 0.000 1.082 164 K CA 0.066 56.388 56.287 0.057 0.000 1.135 164 K CB 0.317 32.831 32.500 0.024 0.000 0.864 164 K HN 0.373 nan 8.250 nan 0.000 0.479 165 D N 5.022 125.450 120.400 0.047 0.000 2.453 165 D HA 0.041 4.677 4.640 -0.008 0.000 0.223 165 D C -0.596 175.710 176.300 0.011 0.000 1.183 165 D CA -0.223 53.798 54.000 0.034 0.000 0.933 165 D CB 0.376 41.205 40.800 0.048 0.000 1.038 165 D HN 0.621 nan 8.370 nan 0.000 0.513 166 E N 2.254 122.448 120.200 -0.009 0.000 2.431 166 E HA 0.408 4.754 4.350 -0.008 0.000 0.268 166 E C -0.681 175.872 176.600 -0.080 0.000 0.953 166 E CA -1.012 55.367 56.400 -0.035 0.000 0.810 166 E CB 0.921 30.605 29.700 -0.026 0.000 1.369 166 E HN 0.062 nan 8.360 nan 0.000 0.440 167 I N 2.176 122.675 120.570 -0.119 0.000 2.282 167 I HA 0.307 4.472 4.170 -0.008 0.000 0.290 167 I C 0.176 176.259 176.117 -0.056 0.000 1.090 167 I CA -0.201 60.975 61.300 -0.207 0.000 1.231 167 I CB -0.221 37.575 38.000 -0.340 0.000 1.434 167 I HN 0.455 nan 8.210 nan 0.000 0.487 168 R N 6.040 126.539 120.500 -0.001 0.000 2.758 168 R HA 0.554 4.889 4.340 -0.008 0.000 0.265 168 R C -2.506 173.868 176.300 0.124 0.000 1.016 168 R CA -1.904 54.254 56.100 0.095 0.000 1.040 168 R CB 0.988 31.301 30.300 0.023 0.000 1.152 168 R HN 0.176 nan 8.270 nan 0.000 0.503 169 P HA -0.012 nan 4.420 nan 0.000 0.266 169 P C 0.709 177.867 177.300 -0.236 0.000 1.195 169 P CA 0.057 62.917 63.100 -0.401 0.000 0.768 169 P CB 0.490 31.963 31.700 -0.378 0.000 0.838 170 M N 1.909 121.347 119.600 -0.271 0.000 2.082 170 M HA -0.210 4.265 4.480 -0.008 0.000 0.258 170 M C 1.839 178.078 176.300 -0.101 0.000 1.069 170 M CA 1.991 57.214 55.300 -0.129 0.000 1.102 170 M CB -1.436 31.102 32.600 -0.104 0.000 1.336 170 M HN 0.552 nan 8.290 nan 0.000 0.404 171 E N 0.140 120.262 120.200 -0.130 0.000 2.130 171 E HA -0.222 4.124 4.350 -0.008 0.000 0.196 171 E C 1.877 178.439 176.600 -0.064 0.000 0.998 171 E CA 1.215 57.562 56.400 -0.087 0.000 0.806 171 E CB 0.251 29.894 29.700 -0.096 0.000 0.738 171 E HN 0.300 nan 8.360 nan 0.000 0.459 172 K N -0.066 120.291 120.400 -0.072 0.000 2.076 172 K HA -0.026 4.289 4.320 -0.008 0.000 0.204 172 K C 2.201 178.782 176.600 -0.032 0.000 1.051 172 K CA 0.729 56.989 56.287 -0.045 0.000 0.949 172 K CB -0.320 32.156 32.500 -0.040 0.000 0.726 172 K HN 0.109 nan 8.250 nan 0.000 0.443 173 V N 1.589 121.482 119.914 -0.035 0.000 2.515 173 V HA -0.170 3.946 4.120 -0.008 0.000 0.250 173 V C 2.571 178.660 176.094 -0.009 0.000 1.058 173 V CA 1.501 63.790 62.300 -0.018 0.000 1.064 173 V CB -0.501 31.311 31.823 -0.018 0.000 0.675 173 V HN 0.294 nan 8.190 nan 0.000 0.461 174 R N 0.421 120.911 120.500 -0.016 0.000 2.075 174 R HA -0.081 4.254 4.340 -0.008 0.000 0.232 174 R C 2.084 178.381 176.300 -0.004 0.000 1.126 174 R CA 1.492 57.588 56.100 -0.008 0.000 0.963 174 R CB -0.349 29.942 30.300 -0.015 0.000 0.858 174 R HN 0.485 nan 8.270 nan 0.000 0.435 175 A N -0.170 122.644 122.820 -0.010 0.000 2.235 175 A HA 0.159 4.474 4.320 -0.008 0.000 0.208 175 A C 1.124 178.708 177.584 0.001 0.000 1.172 175 A CA 0.782 52.816 52.037 -0.005 0.000 0.786 175 A CB -0.327 18.667 19.000 -0.011 0.000 0.804 175 A HN 0.579 nan 8.150 nan 0.000 0.479 176 G N -0.268 108.534 108.800 0.003 0.000 2.198 176 G HA2 -0.228 3.727 3.960 -0.008 0.000 0.257 176 G HA3 -0.228 3.727 3.960 -0.008 0.000 0.257 176 G C 0.132 175.033 174.900 0.001 0.000 1.042 176 G CA 0.284 45.389 45.100 0.009 0.000 0.791 176 G HN 0.312 nan 8.290 nan 0.000 0.502 177 K N 1.495 121.890 120.400 -0.009 0.000 3.006 177 K HA 0.199 4.515 4.320 -0.008 0.000 0.262 177 K C 0.659 177.247 176.600 -0.021 0.000 1.289 177 K CA 0.075 56.351 56.287 -0.018 0.000 1.245 177 K CB -0.155 32.333 32.500 -0.020 0.000 1.614 177 K HN 0.336 nan 8.250 nan 0.000 0.322 178 T N 2.164 116.707 114.554 -0.019 0.000 2.761 178 T HA 0.186 4.531 4.350 -0.008 0.000 0.296 178 T C 0.597 175.272 174.700 -0.041 0.000 0.934 178 T CA -0.335 61.755 62.100 -0.017 0.000 1.091 178 T CB 0.731 69.599 68.868 0.001 0.000 0.896 178 T HN 0.172 nan 8.240 nan 0.000 0.515 179 R N 3.210 123.689 120.500 -0.034 0.000 2.442 179 R HA 0.291 4.626 4.340 -0.008 0.000 0.291 179 R C 0.505 176.775 176.300 -0.050 0.000 1.069 179 R CA -0.471 55.599 56.100 -0.049 0.000 1.022 179 R CB 0.350 30.633 30.300 -0.028 0.000 0.976 179 R HN 0.551 nan 8.270 nan 0.000 0.443 180 I N -0.250 120.265 120.570 -0.092 0.000 2.525 180 I HA 0.428 4.593 4.170 -0.008 0.000 0.301 180 I C -0.168 175.920 176.117 -0.048 0.000 0.992 180 I CA -0.993 60.258 61.300 -0.081 0.000 1.162 180 I CB 1.483 39.357 38.000 -0.211 0.000 1.332 180 I HN 0.161 nan 8.210 nan 0.000 0.458 181 V N 3.991 123.918 119.914 0.022 0.000 2.547 181 V HA 0.351 4.467 4.120 -0.008 0.000 0.299 181 V C -0.290 175.810 176.094 0.011 0.000 1.040 181 V CA -0.521 61.783 62.300 0.006 0.000 0.913 181 V CB 1.622 33.438 31.823 -0.012 0.000 0.992 181 V HN 0.692 nan 8.190 nan 0.000 0.449 182 D N 3.418 123.781 120.400 -0.062 0.000 2.473 182 D HA 0.292 4.927 4.640 -0.008 0.000 0.226 182 D C -0.443 175.819 176.300 -0.063 0.000 1.089 182 D CA -0.067 53.864 54.000 -0.114 0.000 0.883 182 D CB 1.907 42.564 40.800 -0.237 0.000 1.029 182 D HN 0.209 nan 8.370 nan 0.000 0.517 183 V N 3.252 123.160 119.914 -0.009 0.000 2.530 183 V HA 0.176 4.292 4.120 -0.008 0.000 0.282 183 V C 0.384 176.475 176.094 -0.005 0.000 1.048 183 V CA -0.409 61.866 62.300 -0.042 0.000 0.997 183 V CB 0.983 32.757 31.823 -0.083 0.000 0.987 183 V HN 0.279 nan 8.190 nan 0.000 0.477 184 L N 7.406 128.608 121.223 -0.036 0.000 2.331 184 L HA 0.611 4.946 4.340 -0.008 0.000 0.268 184 L C -2.142 174.687 176.870 -0.068 0.000 1.015 184 L CA -2.017 52.768 54.840 -0.092 0.000 0.807 184 L CB 1.169 43.154 42.059 -0.123 0.000 1.293 184 L HN 0.414 nan 8.230 nan 0.000 0.451 185 P HA -0.030 nan 4.420 nan 0.000 0.268 185 P C 0.912 178.264 177.300 0.086 0.000 1.204 185 P CA 0.057 63.128 63.100 -0.047 0.000 0.768 185 P CB 1.136 32.776 31.700 -0.099 0.000 0.842 186 V N 3.336 123.373 119.914 0.205 0.000 2.469 186 V HA -0.247 3.868 4.120 -0.008 0.000 0.251 186 V C 2.371 178.557 176.094 0.153 0.000 1.064 186 V CA 2.506 64.915 62.300 0.183 0.000 1.066 186 V CB -0.974 30.981 31.823 0.221 0.000 0.667 186 V HN 0.682 nan 8.190 nan 0.000 0.461 187 E N -0.320 120.005 120.200 0.208 0.000 2.150 187 E HA -0.322 4.024 4.350 -0.008 0.000 0.193 187 E C 2.013 178.638 176.600 0.042 0.000 0.985 187 E CA 1.996 58.459 56.400 0.105 0.000 0.814 187 E CB -0.871 28.875 29.700 0.077 0.000 0.752 187 E HN 0.849 nan 8.360 nan 0.000 0.466 188 H N 1.252 120.291 119.070 -0.051 0.000 2.389 188 H HA -0.013 4.539 4.556 -0.007 0.000 0.299 188 H C 1.935 177.248 175.328 -0.025 0.000 1.081 188 H CA 1.682 57.691 56.048 -0.065 0.000 1.345 188 H CB 0.025 29.642 29.762 -0.241 0.000 1.393 188 H HN 0.067 nan 8.280 nan 0.000 0.520 189 I N 0.457 120.980 120.570 -0.079 0.000 2.439 189 I HA -0.192 3.973 4.170 -0.008 0.000 0.251 189 I C 2.454 178.526 176.117 -0.076 0.000 1.139 189 I CA 0.606 61.837 61.300 -0.115 0.000 1.438 189 I CB -1.027 36.953 38.000 -0.032 0.000 1.085 189 I HN 0.384 nan 8.210 nan 0.000 0.427 190 L N 0.147 121.361 121.223 -0.015 0.000 2.056 190 L HA -0.254 4.082 4.340 -0.008 0.000 0.207 190 L C 2.551 179.434 176.870 0.023 0.000 1.078 190 L CA 2.064 56.909 54.840 0.009 0.000 0.749 190 L CB -1.053 41.030 42.059 0.039 0.000 0.901 190 L HN 0.185 nan 8.230 nan 0.000 0.433 191 Y N 0.903 121.138 120.300 -0.108 0.000 2.314 191 Y HA -0.160 4.385 4.550 -0.008 0.000 0.293 191 Y C 2.555 178.383 175.900 -0.120 0.000 1.129 191 Y CA 1.864 59.904 58.100 -0.099 0.000 1.201 191 Y CB -0.387 38.026 38.460 -0.078 0.000 0.999 191 Y HN 0.168 nan 8.280 nan 0.000 0.541 192 T N 0.342 114.785 114.554 -0.185 0.000 2.708 192 T HA -0.194 4.152 4.350 -0.008 0.000 0.266 192 T C 1.840 176.429 174.700 -0.184 0.000 1.037 192 T CA 1.905 63.855 62.100 -0.250 0.000 1.146 192 T CB -0.203 68.495 68.868 -0.283 0.000 0.865 192 T HN 0.319 nan 8.240 nan 0.000 0.435 193 R N 0.506 120.930 120.500 -0.127 0.000 2.193 193 R HA 0.120 4.456 4.340 -0.008 0.000 0.229 193 R C 2.420 178.662 176.300 -0.097 0.000 1.110 193 R CA 1.029 57.085 56.100 -0.074 0.000 0.988 193 R CB -0.309 29.962 30.300 -0.048 0.000 0.871 193 R HN 0.430 nan 8.270 nan 0.000 0.458 194 M N -0.663 118.830 119.600 -0.177 0.000 2.236 194 M HA -0.029 4.446 4.480 -0.008 0.000 0.266 194 M C 1.900 178.049 176.300 -0.252 0.000 1.070 194 M CA 1.150 56.325 55.300 -0.208 0.000 1.137 194 M CB 0.028 32.467 32.600 -0.269 0.000 1.378 194 M HN 0.084 nan 8.290 nan 0.000 0.426 195 M N 0.245 119.636 119.600 -0.347 0.000 2.193 195 M HA 0.089 4.564 4.480 -0.008 0.000 0.265 195 M C 1.678 177.995 176.300 0.028 0.000 1.071 195 M CA 1.372 56.536 55.300 -0.225 0.000 1.140 195 M CB -0.444 31.975 32.600 -0.302 0.000 1.369 195 M HN 0.332 nan 8.290 nan 0.000 0.423 196 I N -3.831 116.775 120.570 0.060 0.000 3.171 196 I HA 0.451 4.617 4.170 -0.008 0.000 0.329 196 I C 1.070 177.319 176.117 0.220 0.000 1.522 196 I CA -0.299 61.160 61.300 0.264 0.000 0.948 196 I CB -0.331 37.931 38.000 0.438 0.000 1.527 196 I HN 0.025 nan 8.210 nan 0.000 0.547 197 G N 1.492 110.338 108.800 0.077 0.000 2.408 197 G HA2 -0.159 3.797 3.960 -0.008 0.000 0.215 197 G HA3 -0.159 3.797 3.960 -0.008 0.000 0.215 197 G C 1.568 176.482 174.900 0.023 0.000 1.156 197 G CA 0.306 45.429 45.100 0.040 0.000 0.793 197 G HN 0.355 nan 8.290 nan 0.000 0.535 198 R N -0.227 120.280 120.500 0.013 0.000 2.120 198 R HA -0.019 4.316 4.340 -0.008 0.000 0.234 198 R C 2.006 178.304 176.300 -0.004 0.000 1.123 198 R CA 0.972 57.056 56.100 -0.026 0.000 0.975 198 R CB -0.733 29.525 30.300 -0.069 0.000 0.866 198 R HN 0.347 nan 8.270 nan 0.000 0.446 199 F N -0.196 119.707 119.950 -0.078 0.000 2.039 199 F HA -0.220 4.303 4.527 -0.008 0.000 0.294 199 F C 2.085 177.860 175.800 -0.042 0.000 1.130 199 F CA 1.654 59.648 58.000 -0.010 0.000 1.189 199 F CB -0.930 38.220 39.000 0.250 0.000 0.983 199 F HN 0.035 nan 8.300 nan 0.000 0.471 200 C N 1.055 120.293 119.300 -0.104 0.000 2.398 200 C HA -0.196 4.259 4.460 -0.008 0.000 0.276 200 C C 3.157 177.686 174.990 -0.768 0.000 1.222 200 C CA 1.275 60.028 59.018 -0.442 0.000 1.746 200 C CB -2.001 25.605 27.740 -0.224 0.000 2.039 200 C HN 0.667 nan 8.230 nan 0.000 0.470 201 A N -0.370 122.198 122.820 -0.421 0.000 1.986 201 A HA -0.280 4.035 4.320 -0.008 0.000 0.220 201 A C 2.052 179.506 177.584 -0.216 0.000 1.171 201 A CA 2.326 54.198 52.037 -0.275 0.000 0.640 201 A CB -0.574 18.358 19.000 -0.113 0.000 0.811 201 A HN 0.635 nan 8.150 nan 0.000 0.451 202 Q N -1.513 118.141 119.800 -0.244 0.000 2.212 202 Q HA 0.084 4.419 4.340 -0.008 0.000 0.199 202 Q C 2.030 177.897 176.000 -0.220 0.000 0.950 202 Q CA 0.988 56.678 55.803 -0.188 0.000 0.863 202 Q CB -0.195 28.439 28.738 -0.173 0.000 0.944 202 Q HN 0.551 nan 8.270 nan 0.000 0.465 203 M N -0.635 118.729 119.600 -0.392 0.000 2.117 203 M HA -0.175 4.300 4.480 -0.008 0.000 0.262 203 M C 1.721 178.015 176.300 -0.010 0.000 1.065 203 M CA 1.748 56.864 55.300 -0.307 0.000 1.114 203 M CB -0.794 31.522 32.600 -0.475 0.000 1.361 203 M HN 0.460 nan 8.290 nan 0.000 0.408 204 H N -0.587 118.454 119.070 -0.049 0.000 2.299 204 H HA -0.080 4.471 4.556 -0.008 0.000 0.302 204 H C 2.121 177.465 175.328 0.027 0.000 1.078 204 H CA 1.581 57.643 56.048 0.023 0.000 1.323 204 H CB -0.151 29.628 29.762 0.027 0.000 1.381 204 H HN 0.436 nan 8.280 nan 0.000 0.498 205 S N 0.465 116.244 115.700 0.132 0.000 2.595 205 S HA -0.043 4.422 4.470 -0.008 0.000 0.235 205 S C 1.093 175.720 174.600 0.046 0.000 0.974 205 S CA 0.621 58.863 58.200 0.070 0.000 0.942 205 S CB 0.008 63.228 63.200 0.032 0.000 0.766 205 S HN 0.380 nan 8.310 nan 0.000 0.536 206 N N 1.931 120.660 118.700 0.048 0.000 2.241 206 N HA 0.116 4.852 4.740 -0.008 0.000 0.238 206 N C -0.852 174.704 175.510 0.076 0.000 1.244 206 N CA -0.117 52.955 53.050 0.037 0.000 0.880 206 N CB 0.274 38.759 38.487 -0.004 0.000 1.179 206 N HN 0.704 nan 8.380 nan 0.000 0.513 207 N N 0.869 119.647 118.700 0.131 0.000 2.353 207 N HA 0.306 5.041 4.740 -0.008 0.000 0.248 207 N C 0.588 176.240 175.510 0.236 0.000 1.240 207 N CA 0.485 53.655 53.050 0.200 0.000 0.862 207 N CB 0.694 39.344 38.487 0.272 0.000 1.086 207 N HN 0.106 nan 8.380 nan 0.000 0.453 208 G N 0.495 109.438 108.800 0.238 0.000 2.324 208 G HA2 0.196 4.151 3.960 -0.008 0.000 0.293 208 G HA3 0.196 4.151 3.960 -0.008 0.000 0.293 208 G C -2.590 172.350 174.900 0.067 0.000 1.297 208 G CA -0.844 44.409 45.100 0.255 0.000 0.853 208 G HN 0.356 nan 8.290 nan 0.000 0.535 209 P HA -0.056 nan 4.420 nan 0.000 0.218 209 P C 1.724 178.937 177.300 -0.145 0.000 1.149 209 P CA 1.507 64.453 63.100 -0.256 0.000 0.817 209 P CB 0.239 31.405 31.700 -0.890 0.000 0.785 210 Q N 0.317 120.059 119.800 -0.097 0.000 1.927 210 Q HA -0.175 4.160 4.340 -0.008 0.000 0.210 210 Q C 1.736 177.729 176.000 -0.011 0.000 1.001 210 Q CA 2.030 57.804 55.803 -0.048 0.000 0.862 210 Q CB -0.624 28.096 28.738 -0.030 0.000 0.934 210 Q HN 0.134 nan 8.270 nan 0.000 0.420 211 I N -1.487 119.090 120.570 0.011 0.000 3.444 211 I HA 0.178 4.344 4.170 -0.008 0.000 0.287 211 I C 1.024 177.238 176.117 0.162 0.000 1.302 211 I CA 1.381 62.705 61.300 0.039 0.000 1.368 211 I CB -1.651 36.355 38.000 0.011 0.000 1.048 211 I HN 0.505 nan 8.210 nan 0.000 0.487 212 G N 1.585 110.449 108.800 0.107 0.000 2.321 212 G HA2 -0.294 3.662 3.960 -0.008 0.000 0.287 212 G HA3 -0.294 3.662 3.960 -0.008 0.000 0.287 212 G C 0.217 175.200 174.900 0.140 0.000 1.018 212 G CA 0.767 45.934 45.100 0.111 0.000 0.855 212 G HN 0.808 nan 8.290 nan 0.000 0.507 213 S N -1.152 114.638 115.700 0.149 0.000 2.500 213 S HA 0.779 5.244 4.470 -0.008 0.000 0.301 213 S C 0.570 175.303 174.600 0.221 0.000 1.092 213 S CA 0.491 58.809 58.200 0.197 0.000 1.030 213 S CB 1.762 65.086 63.200 0.206 0.000 1.031 213 S HN 1.567 nan 8.310 nan 0.000 0.483 214 A N 3.933 126.943 122.820 0.316 0.000 2.535 214 A HA 0.472 4.787 4.320 -0.008 0.000 0.273 214 A C -0.112 177.748 177.584 0.460 0.000 1.267 214 A CA -0.186 52.078 52.037 0.378 0.000 0.940 214 A CB 0.032 19.314 19.000 0.469 0.000 1.101 214 A HN 0.667 nan 8.150 nan 0.000 0.521 215 V N 0.646 120.850 119.914 0.483 0.000 2.427 215 V HA 0.525 4.640 4.120 -0.008 0.000 0.268 215 V C 1.302 177.548 176.094 0.254 0.000 1.046 215 V CA 1.017 63.626 62.300 0.515 0.000 0.970 215 V CB 0.243 32.298 31.823 0.386 0.000 1.001 215 V HN 1.080 nan 8.190 nan 0.000 0.476 216 G N 3.283 112.148 108.800 0.109 0.000 2.135 216 G HA2 -0.176 3.779 3.960 -0.008 0.000 0.183 216 G HA3 -0.176 3.779 3.960 -0.008 0.000 0.183 216 G C 0.125 175.064 174.900 0.065 0.000 1.004 216 G CA -0.191 44.907 45.100 -0.003 0.000 0.677 216 G HN 1.186 nan 8.290 nan 0.000 0.512 217 C N -0.952 118.403 119.300 0.091 0.000 2.423 217 C HA 0.936 5.391 4.460 -0.008 0.000 0.378 217 C C 0.119 175.142 174.990 0.054 0.000 1.244 217 C CA -1.065 58.036 59.018 0.139 0.000 1.978 217 C CB 1.697 29.660 27.740 0.372 0.000 2.252 217 C HN 0.696 nan 8.230 nan 0.000 0.526 218 N N 0.338 119.078 118.700 0.067 0.000 2.577 218 N HA 0.436 5.171 4.740 -0.008 0.000 0.275 218 N C -2.093 173.441 175.510 0.039 0.000 1.091 218 N CA -1.563 51.492 53.050 0.007 0.000 0.843 218 N CB 1.663 40.142 38.487 -0.013 0.000 1.295 218 N HN 0.369 nan 8.380 nan 0.000 0.530 219 P HA -0.163 nan 4.420 nan 0.000 0.218 219 P C 0.195 177.468 177.300 -0.045 0.000 1.154 219 P CA 1.351 64.306 63.100 -0.241 0.000 0.872 219 P CB 0.255 31.485 31.700 -0.783 0.000 0.790 220 D N -1.836 118.586 120.400 0.037 0.000 2.311 220 D HA -0.114 4.521 4.640 -0.008 0.000 0.212 220 D C 1.626 178.095 176.300 0.282 0.000 0.972 220 D CA 1.199 55.381 54.000 0.303 0.000 0.887 220 D CB -0.135 40.837 40.800 0.287 0.000 0.915 220 D HN 0.205 nan 8.370 nan 0.000 0.497 221 V N -4.294 115.681 119.914 0.102 0.000 3.251 221 V HA 0.144 4.259 4.120 -0.008 0.000 0.239 221 V C 1.193 177.268 176.094 -0.031 0.000 1.332 221 V CA 0.100 62.377 62.300 -0.038 0.000 1.224 221 V CB 0.218 31.974 31.823 -0.112 0.000 1.004 221 V HN -0.160 nan 8.190 nan 0.000 0.464 222 D N -0.318 120.086 120.400 0.007 0.000 2.317 222 D HA -0.065 4.570 4.640 -0.008 0.000 0.211 222 D C 1.751 178.010 176.300 -0.067 0.000 0.966 222 D CA 0.841 54.713 54.000 -0.214 0.000 0.876 222 D CB -0.102 40.468 40.800 -0.383 0.000 0.927 222 D HN 0.653 nan 8.370 nan 0.000 0.519 223 W N 1.363 122.689 121.300 0.043 0.000 2.392 223 W HA -0.212 4.443 4.660 -0.008 0.000 0.279 223 W C 2.272 178.974 176.519 0.305 0.000 1.225 223 W CA 0.537 58.073 57.345 0.318 0.000 1.233 223 W CB 0.297 29.952 29.460 0.324 0.000 1.122 223 W HN 0.035 nan 8.180 nan 0.000 0.561 224 Q N 0.948 120.975 119.800 0.378 0.000 2.123 224 Q HA -0.176 4.159 4.340 -0.008 0.000 0.199 224 Q C 2.113 178.226 176.000 0.189 0.000 0.966 224 Q CA 1.619 57.632 55.803 0.350 0.000 0.845 224 Q CB -0.575 28.211 28.738 0.080 0.000 0.907 224 Q HN 0.159 nan 8.270 nan 0.000 0.439 225 R N -1.281 119.208 120.500 -0.018 0.000 2.073 225 R HA -0.049 4.286 4.340 -0.008 0.000 0.229 225 R C 1.568 177.873 176.300 0.008 0.000 1.120 225 R CA 1.245 57.296 56.100 -0.083 0.000 0.967 225 R CB -0.183 29.958 30.300 -0.264 0.000 0.862 225 R HN 0.253 nan 8.270 nan 0.000 0.436 226 F N 0.057 120.039 119.950 0.053 0.000 2.128 226 F HA 0.171 4.694 4.527 -0.007 0.000 0.295 226 F C 2.449 178.133 175.800 -0.193 0.000 1.100 226 F CA 1.078 59.055 58.000 -0.038 0.000 1.260 226 F CB -1.304 37.586 39.000 -0.183 0.000 1.009 226 F HN 0.162 nan 8.300 nan 0.000 0.476 227 G N 0.237 108.874 108.800 -0.271 0.000 2.553 227 G HA2 -0.353 3.603 3.960 -0.008 0.000 0.218 227 G HA3 -0.353 3.603 3.960 -0.008 0.000 0.218 227 G C 1.722 176.368 174.900 -0.424 0.000 1.195 227 G CA 2.328 46.873 45.100 -0.924 0.000 0.779 227 G HN 0.408 nan 8.290 nan 0.000 0.577 228 T N -1.452 113.123 114.554 0.036 0.000 2.737 228 T HA -0.242 4.103 4.350 -0.008 0.000 0.269 228 T C 1.993 176.779 174.700 0.144 0.000 1.040 228 T CA 1.900 64.126 62.100 0.210 0.000 1.142 228 T CB -0.532 68.482 68.868 0.244 0.000 0.861 228 T HN 0.517 nan 8.240 nan 0.000 0.456 229 H N 1.308 120.419 119.070 0.069 0.000 2.274 229 H HA -0.002 4.549 4.556 -0.008 0.000 0.296 229 H C 1.535 176.873 175.328 0.017 0.000 1.061 229 H CA 1.863 57.934 56.048 0.039 0.000 1.226 229 H CB -0.805 28.948 29.762 -0.015 0.000 1.370 229 H HN 0.377 nan 8.280 nan 0.000 0.507 230 F N 0.279 120.134 119.950 -0.158 0.000 2.664 230 F HA 0.027 4.549 4.527 -0.008 0.000 0.297 230 F C 2.422 178.134 175.800 -0.148 0.000 1.164 230 F CA 0.714 58.548 58.000 -0.277 0.000 1.472 230 F CB -0.625 38.136 39.000 -0.399 0.000 1.108 230 F HN 0.335 nan 8.300 nan 0.000 0.596 231 A N 0.024 122.870 122.820 0.044 0.000 2.167 231 A HA -0.080 4.235 4.320 -0.008 0.000 0.214 231 A C 1.555 179.170 177.584 0.051 0.000 1.151 231 A CA 0.529 52.596 52.037 0.049 0.000 0.735 231 A CB -0.591 18.475 19.000 0.109 0.000 0.802 231 A HN 0.529 nan 8.150 nan 0.000 0.467 232 Q N -1.441 118.390 119.800 0.052 0.000 2.354 232 Q HA 0.467 4.803 4.340 -0.008 0.000 0.372 232 Q C -1.578 174.268 176.000 -0.256 0.000 0.923 232 Q CA -0.439 55.312 55.803 -0.086 0.000 1.123 232 Q CB -0.211 28.428 28.738 -0.164 0.000 1.298 232 Q HN 0.448 nan 8.270 nan 0.000 0.419 233 Y N -0.249 119.952 120.300 -0.165 0.000 2.421 233 Y HA 0.374 4.920 4.550 -0.007 0.000 0.339 233 Y C 0.849 176.671 175.900 -0.129 0.000 0.996 233 Y CA -1.198 56.807 58.100 -0.158 0.000 1.046 233 Y CB 1.664 40.017 38.460 -0.178 0.000 1.226 233 Y HN 0.058 nan 8.280 nan 0.000 0.445 234 R N 1.014 121.501 120.500 -0.020 0.000 2.119 234 R HA -0.148 4.188 4.340 -0.008 0.000 0.246 234 R C -0.303 175.943 176.300 -0.089 0.000 1.146 234 R CA 1.338 57.410 56.100 -0.046 0.000 0.962 234 R CB -0.066 30.213 30.300 -0.035 0.000 0.863 234 R HN 0.538 nan 8.270 nan 0.000 0.442 235 N N -0.546 118.074 118.700 -0.135 0.000 2.242 235 N HA 0.330 5.066 4.740 -0.008 0.000 0.292 235 N C -1.480 173.657 175.510 -0.622 0.000 1.125 235 N CA -0.453 52.308 53.050 -0.481 0.000 0.783 235 N CB 3.074 41.105 38.487 -0.760 0.000 1.558 235 N HN -0.234 nan 8.380 nan 0.000 0.472 236 V N 1.275 120.747 119.914 -0.736 0.000 2.638 236 V HA 0.521 4.637 4.120 -0.008 0.000 0.306 236 V C -0.939 174.788 176.094 -0.612 0.000 1.052 236 V CA -0.774 61.254 62.300 -0.455 0.000 0.885 236 V CB 2.445 34.152 31.823 -0.192 0.000 0.999 236 V HN 0.531 nan 8.190 nan 0.000 0.424 237 W N 1.907 123.125 121.300 -0.137 0.000 2.632 237 W HA 0.426 5.082 4.660 -0.007 0.000 0.328 237 W C -0.447 175.959 176.519 -0.188 0.000 1.044 237 W CA -0.587 56.611 57.345 -0.245 0.000 1.225 237 W CB 2.073 31.134 29.460 -0.666 0.000 1.396 237 W HN 0.518 nan 8.180 nan 0.000 0.499 238 D N 3.122 123.533 120.400 0.018 0.000 2.540 238 D HA 0.246 4.882 4.640 -0.008 0.000 0.251 238 D C -0.300 175.994 176.300 -0.010 0.000 1.159 238 D CA -0.022 53.957 54.000 -0.035 0.000 0.974 238 D CB 0.764 41.493 40.800 -0.118 0.000 0.996 238 D HN -0.109 nan 8.370 nan 0.000 0.512 239 V N 2.325 122.261 119.914 0.038 0.000 2.924 239 V HA 0.196 4.311 4.120 -0.008 0.000 0.305 239 V C 0.293 176.303 176.094 -0.140 0.000 1.073 239 V CA -0.150 62.155 62.300 0.008 0.000 1.098 239 V CB 1.428 33.201 31.823 -0.082 0.000 1.000 239 V HN 0.363 nan 8.190 nan 0.000 0.484 240 D N 1.009 121.287 120.400 -0.203 0.000 2.787 240 D HA 0.543 5.178 4.640 -0.008 0.000 0.246 240 D C -1.130 175.018 176.300 -0.254 0.000 1.150 240 D CA -0.207 53.685 54.000 -0.179 0.000 0.864 240 D CB 1.456 42.202 40.800 -0.090 0.000 1.481 240 D HN 0.402 nan 8.370 nan 0.000 0.509 241 Y N 0.156 120.456 120.300 0.001 0.000 2.453 241 Y HA 0.520 5.065 4.550 -0.008 0.000 0.326 241 Y C 0.632 176.570 175.900 0.064 0.000 1.186 241 Y CA -0.810 57.319 58.100 0.048 0.000 1.200 241 Y CB 1.916 40.429 38.460 0.088 0.000 1.247 241 Y HN 0.182 nan 8.280 nan 0.000 0.482 242 S N 1.738 117.592 115.700 0.256 0.000 2.532 242 S HA 0.547 5.013 4.470 -0.008 0.000 0.318 242 S C -0.032 174.638 174.600 0.117 0.000 1.083 242 S CA 0.009 58.291 58.200 0.137 0.000 1.131 242 S CB -0.469 62.779 63.200 0.081 0.000 0.973 242 S HN 1.190 nan 8.310 nan 0.000 0.468 243 A N 4.042 126.921 122.820 0.097 0.000 2.869 243 A HA -0.216 4.099 4.320 -0.008 0.000 0.280 243 A C 0.813 178.407 177.584 0.017 0.000 1.458 243 A CA 0.969 53.026 52.037 0.033 0.000 0.776 243 A CB -2.791 16.189 19.000 -0.034 0.000 1.028 243 A HN 1.293 nan 8.150 nan 0.000 0.547 244 F N 1.389 121.298 119.950 -0.068 0.000 2.045 244 F HA -0.255 4.268 4.527 -0.007 0.000 0.297 244 F C 1.656 177.195 175.800 -0.435 0.000 1.114 244 F CA 2.917 60.783 58.000 -0.224 0.000 1.207 244 F CB -0.137 38.762 39.000 -0.168 0.000 0.964 244 F HN 0.449 nan 8.300 nan 0.000 0.486 245 D N -0.051 120.263 120.400 -0.144 0.000 2.384 245 D HA -0.015 4.620 4.640 -0.008 0.000 0.222 245 D C 1.565 177.785 176.300 -0.132 0.000 0.976 245 D CA 1.124 55.060 54.000 -0.106 0.000 0.915 245 D CB -0.392 40.490 40.800 0.136 0.000 0.896 245 D HN 0.385 nan 8.370 nan 0.000 0.523 246 A N -0.204 122.499 122.820 -0.195 0.000 2.538 246 A HA 0.160 4.475 4.320 -0.008 0.000 0.269 246 A C 1.206 178.709 177.584 -0.134 0.000 1.231 246 A CA -0.325 51.648 52.037 -0.106 0.000 0.948 246 A CB 0.303 19.224 19.000 -0.133 0.000 1.110 246 A HN -0.026 nan 8.150 nan 0.000 0.529 247 N N -0.226 118.289 118.700 -0.308 0.000 2.143 247 N HA 0.053 4.788 4.740 -0.008 0.000 0.222 247 N C -0.713 174.630 175.510 -0.279 0.000 1.264 247 N CA -0.111 52.794 53.050 -0.243 0.000 0.897 247 N CB 0.172 38.535 38.487 -0.208 0.000 1.092 247 N HN 0.446 nan 8.380 nan 0.000 0.516 248 H N 1.492 120.446 119.070 -0.195 0.000 3.145 248 H HA 0.003 4.555 4.556 -0.008 0.000 0.288 248 H C 1.049 176.291 175.328 -0.143 0.000 0.969 248 H CA -0.055 55.880 56.048 -0.187 0.000 1.444 248 H CB 0.191 29.852 29.762 -0.167 0.000 1.500 248 H HN 0.238 nan 8.280 nan 0.000 0.552 249 C N 2.232 121.487 119.300 -0.075 0.000 2.652 249 C HA 0.169 4.625 4.460 -0.008 0.000 0.412 249 C C 2.084 177.015 174.990 -0.099 0.000 1.294 249 C CA -0.705 58.249 59.018 -0.106 0.000 2.127 249 C CB 0.404 28.043 27.740 -0.169 0.000 2.691 249 C HN 0.814 nan 8.230 nan 0.000 0.615 250 S N 2.067 117.726 115.700 -0.069 0.000 2.372 250 S HA -0.210 4.255 4.470 -0.008 0.000 0.227 250 S C 1.253 175.807 174.600 -0.077 0.000 1.044 250 S CA 2.613 60.784 58.200 -0.048 0.000 1.050 250 S CB -0.531 62.648 63.200 -0.034 0.000 0.901 250 S HN 0.938 nan 8.310 nan 0.000 0.447 251 D N 1.829 122.161 120.400 -0.114 0.000 2.092 251 D HA -0.061 4.575 4.640 -0.008 0.000 0.193 251 D C 2.206 178.369 176.300 -0.228 0.000 0.994 251 D CA 1.379 55.297 54.000 -0.136 0.000 0.828 251 D CB -0.492 40.215 40.800 -0.155 0.000 0.963 251 D HN 0.416 nan 8.370 nan 0.000 0.450 252 A N 0.450 123.016 122.820 -0.423 0.000 1.883 252 A HA -0.219 4.096 4.320 -0.008 0.000 0.217 252 A C 2.203 179.618 177.584 -0.282 0.000 1.186 252 A CA 1.627 53.223 52.037 -0.735 0.000 0.624 252 A CB -0.672 17.866 19.000 -0.771 0.000 0.822 252 A HN 0.136 nan 8.150 nan 0.000 0.444 253 M N -0.650 118.794 119.600 -0.261 0.000 2.065 253 M HA -0.234 4.242 4.480 -0.008 0.000 0.259 253 M C 2.065 178.037 176.300 -0.545 0.000 1.071 253 M CA 2.234 57.280 55.300 -0.425 0.000 1.109 253 M CB -0.764 31.747 32.600 -0.150 0.000 1.313 253 M HN 0.484 nan 8.290 nan 0.000 0.408 254 N N 0.797 119.435 118.700 -0.103 0.000 2.025 254 N HA -0.121 4.615 4.740 -0.008 0.000 0.194 254 N C 1.589 177.143 175.510 0.072 0.000 1.044 254 N CA 1.548 54.660 53.050 0.104 0.000 0.851 254 N CB -0.491 38.063 38.487 0.113 0.000 1.036 254 N HN 0.298 nan 8.380 nan 0.000 0.422 255 I N 0.271 120.882 120.570 0.069 0.000 2.315 255 I HA -0.274 3.891 4.170 -0.008 0.000 0.251 255 I C 2.358 178.556 176.117 0.135 0.000 1.125 255 I CA 0.888 62.281 61.300 0.154 0.000 1.392 255 I CB -0.262 37.906 38.000 0.281 0.000 1.065 255 I HN 0.300 nan 8.210 nan 0.000 0.424 256 M N 0.829 120.469 119.600 0.067 0.000 2.086 256 M HA -0.207 4.269 4.480 -0.008 0.000 0.261 256 M C 2.279 178.576 176.300 -0.006 0.000 1.067 256 M CA 2.183 57.444 55.300 -0.065 0.000 1.116 256 M CB -0.570 31.894 32.600 -0.226 0.000 1.348 256 M HN 0.088 nan 8.290 nan 0.000 0.407 257 F N 1.132 121.185 119.950 0.172 0.000 2.113 257 F HA -0.132 4.390 4.527 -0.008 0.000 0.297 257 F C 2.318 178.235 175.800 0.194 0.000 1.103 257 F CA 1.337 59.467 58.000 0.217 0.000 1.248 257 F CB -1.374 37.655 39.000 0.048 0.000 0.999 257 F HN 0.286 nan 8.300 nan 0.000 0.475 258 E N -0.180 120.205 120.200 0.309 0.000 2.267 258 E HA -0.189 4.156 4.350 -0.008 0.000 0.197 258 E C 1.710 178.407 176.600 0.161 0.000 0.998 258 E CA 1.219 57.744 56.400 0.208 0.000 0.830 258 E CB -0.134 29.663 29.700 0.162 0.000 0.751 258 E HN 0.424 nan 8.360 nan 0.000 0.491 259 E N -0.424 119.859 120.200 0.137 0.000 2.413 259 E HA 0.020 4.365 4.350 -0.008 0.000 0.203 259 E C 1.995 178.643 176.600 0.081 0.000 0.957 259 E CA 0.279 56.741 56.400 0.104 0.000 0.950 259 E CB 0.697 30.420 29.700 0.039 0.000 0.957 259 E HN 0.102 nan 8.360 nan 0.000 0.497 260 V N -0.003 119.894 119.914 -0.029 0.000 2.685 260 V HA 0.001 4.116 4.120 -0.008 0.000 0.244 260 V C 0.913 176.580 176.094 -0.713 0.000 1.054 260 V CA 0.933 62.983 62.300 -0.417 0.000 1.076 260 V CB -0.200 31.306 31.823 -0.528 0.000 0.725 260 V HN 0.060 nan 8.190 nan 0.000 0.467 261 F N 1.009 120.763 119.950 -0.328 0.000 2.983 261 F HA 0.431 4.954 4.527 -0.007 0.000 0.307 261 F C 0.979 176.601 175.800 -0.296 0.000 1.218 261 F CA -0.802 56.746 58.000 -0.754 0.000 1.323 261 F CB -0.502 38.149 39.000 -0.582 0.000 0.989 261 F HN -0.065 nan 8.300 nan 0.000 0.509 262 R N -0.174 120.404 120.500 0.130 0.000 2.594 262 R HA 0.131 4.467 4.340 -0.008 0.000 0.272 262 R C 1.680 178.095 176.300 0.191 0.000 1.074 262 R CA 0.577 56.758 56.100 0.135 0.000 1.105 262 R CB 0.450 30.744 30.300 -0.009 0.000 1.008 262 R HN 0.337 nan 8.270 nan 0.000 0.472 263 T N -2.151 112.485 114.554 0.135 0.000 2.962 263 T HA -0.175 4.170 4.350 -0.008 0.000 0.270 263 T C 1.513 176.255 174.700 0.069 0.000 1.088 263 T CA 1.107 63.298 62.100 0.153 0.000 1.127 263 T CB -0.114 68.797 68.868 0.072 0.000 0.883 263 T HN 0.730 nan 8.240 nan 0.000 0.493 264 E N 0.296 120.440 120.200 -0.093 0.000 2.209 264 E HA -0.136 4.209 4.350 -0.008 0.000 0.196 264 E C 0.478 176.935 176.600 -0.239 0.000 0.993 264 E CA 0.910 57.152 56.400 -0.262 0.000 0.819 264 E CB -0.212 29.178 29.700 -0.516 0.000 0.745 264 E HN 0.669 nan 8.360 nan 0.000 0.477 265 F N -0.592 119.483 119.950 0.209 0.000 2.660 265 F HA 0.335 4.857 4.527 -0.008 0.000 0.302 265 F C 1.471 177.361 175.800 0.150 0.000 1.103 265 F CA 0.486 58.629 58.000 0.238 0.000 1.340 265 F CB 0.832 40.071 39.000 0.398 0.000 1.048 265 F HN 0.135 nan 8.300 nan 0.000 0.551 266 G N -0.496 108.440 108.800 0.226 0.000 2.157 266 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.248 266 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.248 266 G C 0.148 175.043 174.900 -0.007 0.000 0.979 266 G CA -0.551 44.577 45.100 0.047 0.000 0.650 266 G HN 0.162 nan 8.290 nan 0.000 0.529 267 F N 1.328 121.331 119.950 0.089 0.000 2.389 267 F HA 0.522 5.044 4.527 -0.007 0.000 0.337 267 F C 1.191 177.065 175.800 0.125 0.000 1.112 267 F CA -0.979 57.093 58.000 0.119 0.000 1.192 267 F CB 0.596 39.700 39.000 0.173 0.000 1.185 267 F HN 0.136 nan 8.300 nan 0.000 0.552 268 H N 4.315 123.508 119.070 0.206 0.000 2.848 268 H HA 0.095 4.647 4.556 -0.008 0.000 0.341 268 H C -1.830 173.596 175.328 0.163 0.000 1.060 268 H CA -1.765 54.361 56.048 0.131 0.000 1.444 268 H CB 1.373 31.177 29.762 0.070 0.000 1.446 268 H HN 0.287 nan 8.280 nan 0.000 0.583 269 P HA -0.195 nan 4.420 nan 0.000 0.217 269 P C 0.534 178.057 177.300 0.371 0.000 1.162 269 P CA 1.885 65.093 63.100 0.180 0.000 0.901 269 P CB 0.216 31.919 31.700 0.005 0.000 0.793 270 N N -1.370 117.705 118.700 0.625 0.000 2.617 270 N HA 0.024 4.760 4.740 -0.008 0.000 0.198 270 N C 1.212 176.936 175.510 0.357 0.000 1.317 270 N CA 0.558 53.880 53.050 0.454 0.000 0.892 270 N CB -0.576 38.156 38.487 0.408 0.000 1.041 270 N HN 0.153 nan 8.380 nan 0.000 0.450 271 A N 0.292 123.284 122.820 0.288 0.000 1.878 271 A HA -0.085 4.230 4.320 -0.008 0.000 0.213 271 A C 2.083 179.672 177.584 0.008 0.000 1.192 271 A CA 0.848 52.965 52.037 0.134 0.000 0.619 271 A CB -0.307 18.848 19.000 0.259 0.000 0.837 271 A HN 0.384 nan 8.150 nan 0.000 0.446 272 E N -1.374 118.889 120.200 0.105 0.000 2.077 272 E HA -0.244 4.101 4.350 -0.008 0.000 0.193 272 E C 1.788 178.409 176.600 0.034 0.000 0.989 272 E CA 1.405 57.837 56.400 0.054 0.000 0.800 272 E CB -0.286 29.515 29.700 0.168 0.000 0.746 272 E HN 0.729 nan 8.360 nan 0.000 0.452 273 W N 1.209 122.513 121.300 0.007 0.000 2.329 273 W HA -0.236 4.419 4.660 -0.008 0.000 0.324 273 W C 2.079 178.607 176.519 0.015 0.000 1.222 273 W CA 1.745 59.111 57.345 0.034 0.000 1.270 273 W CB -0.766 28.753 29.460 0.099 0.000 1.167 273 W HN 0.192 nan 8.180 nan 0.000 0.467 274 I N 0.874 121.507 120.570 0.104 0.000 2.381 274 I HA -0.304 3.862 4.170 -0.008 0.000 0.255 274 I C 2.077 178.020 176.117 -0.289 0.000 1.140 274 I CA 1.764 62.998 61.300 -0.110 0.000 1.404 274 I CB -0.581 37.535 38.000 0.194 0.000 1.075 274 I HN 0.152 nan 8.210 nan 0.000 0.433 275 L N -0.606 120.333 121.223 -0.474 0.000 2.162 275 L HA -0.083 4.252 4.340 -0.008 0.000 0.205 275 L C 2.348 178.738 176.870 -0.801 0.000 1.086 275 L CA 0.806 55.142 54.840 -0.840 0.000 0.778 275 L CB -0.555 40.585 42.059 -1.531 0.000 0.928 275 L HN 0.069 nan 8.230 nan 0.000 0.446 276 K N -0.107 119.952 120.400 -0.569 0.000 2.283 276 K HA -0.097 4.219 4.320 -0.008 0.000 0.202 276 K C 1.693 178.161 176.600 -0.220 0.000 1.048 276 K CA 1.569 57.708 56.287 -0.246 0.000 0.948 276 K CB -0.243 32.196 32.500 -0.102 0.000 0.742 276 K HN 0.388 nan 8.250 nan 0.000 0.458 277 T N -0.898 113.450 114.554 -0.343 0.000 3.427 277 T HA 0.026 4.372 4.350 -0.008 0.000 0.256 277 T C 1.287 175.959 174.700 -0.047 0.000 1.172 277 T CA 0.526 62.459 62.100 -0.279 0.000 1.018 277 T CB -0.281 68.408 68.868 -0.299 0.000 0.981 277 T HN 0.106 nan 8.240 nan 0.000 0.555 278 L N -0.662 120.549 121.223 -0.019 0.000 2.701 278 L HA 0.251 4.586 4.340 -0.008 0.000 0.238 278 L C 2.308 179.225 176.870 0.078 0.000 1.106 278 L CA -0.120 54.768 54.840 0.081 0.000 0.898 278 L CB 0.083 42.197 42.059 0.091 0.000 1.188 278 L HN 0.134 nan 8.230 nan 0.000 0.508 279 V N 0.144 120.086 119.914 0.047 0.000 2.221 279 V HA -0.196 3.919 4.120 -0.008 0.000 0.242 279 V C 0.506 176.594 176.094 -0.010 0.000 1.041 279 V CA 1.483 63.810 62.300 0.045 0.000 0.995 279 V CB -0.486 31.361 31.823 0.042 0.000 0.635 279 V HN 0.458 nan 8.190 nan 0.000 0.448 280 N N 1.236 119.900 118.700 -0.059 0.000 2.663 280 N HA 0.247 4.982 4.740 -0.008 0.000 0.250 280 N C -0.204 175.230 175.510 -0.127 0.000 1.129 280 N CA 0.013 53.003 53.050 -0.100 0.000 0.995 280 N CB 0.365 38.785 38.487 -0.112 0.000 1.324 280 N HN 0.643 nan 8.380 nan 0.000 0.512 281 T N -2.558 111.947 114.554 -0.082 0.000 2.875 281 T HA 0.609 4.954 4.350 -0.008 0.000 0.284 281 T C 0.316 174.991 174.700 -0.041 0.000 0.995 281 T CA -0.969 61.125 62.100 -0.010 0.000 1.060 281 T CB 1.373 70.371 68.868 0.216 0.000 0.967 281 T HN 0.366 nan 8.240 nan 0.000 0.476 282 E N 1.777 121.990 120.200 0.022 0.000 2.103 282 E HA 0.257 4.603 4.350 -0.008 0.000 0.254 282 E C -0.309 176.418 176.600 0.211 0.000 0.940 282 E CA -0.807 55.610 56.400 0.028 0.000 0.771 282 E CB -0.492 29.175 29.700 -0.055 0.000 1.153 282 E HN 0.909 nan 8.360 nan 0.000 0.428 283 H N 0.216 119.328 119.070 0.070 0.000 2.707 283 H HA 0.562 5.114 4.556 -0.007 0.000 0.359 283 H C 0.086 175.504 175.328 0.150 0.000 1.113 283 H CA -0.217 55.915 56.048 0.141 0.000 1.422 283 H CB 1.716 31.607 29.762 0.215 0.000 1.443 283 H HN 0.669 nan 8.280 nan 0.000 0.591 284 A N 3.668 126.659 122.820 0.284 0.000 2.340 284 A HA 0.253 4.569 4.320 -0.008 0.000 0.297 284 A C -1.700 176.050 177.584 0.277 0.000 1.195 284 A CA -0.493 51.671 52.037 0.212 0.000 0.769 284 A CB 0.331 19.405 19.000 0.123 0.000 1.163 284 A HN 0.674 nan 8.150 nan 0.000 0.472 285 Y N 2.827 123.199 120.300 0.121 0.000 2.464 285 Y HA 0.399 4.944 4.550 -0.010 0.000 0.326 285 Y C 0.736 176.659 175.900 0.039 0.000 0.969 285 Y CA -0.377 57.792 58.100 0.115 0.000 1.270 285 Y CB 0.009 38.612 38.460 0.239 0.000 1.103 285 Y HN 1.093 nan 8.280 nan 0.000 0.491 286 E N 1.318 121.361 120.200 -0.261 0.000 3.247 286 E HA -0.418 3.928 4.350 -0.008 0.000 0.424 286 E C 0.540 177.071 176.600 -0.114 0.000 1.544 286 E CA 1.763 58.007 56.400 -0.259 0.000 1.208 286 E CB -0.910 28.531 29.700 -0.431 0.000 1.473 286 E HN 0.754 nan 8.360 nan 0.000 0.472 287 N N 2.249 120.886 118.700 -0.106 0.000 2.325 287 N HA 0.038 4.774 4.740 -0.008 0.000 0.182 287 N C 0.017 175.509 175.510 -0.030 0.000 1.088 287 N CA 0.499 53.516 53.050 -0.054 0.000 0.879 287 N CB 0.308 38.763 38.487 -0.053 0.000 0.983 287 N HN 0.042 nan 8.380 nan 0.000 0.471 288 K N 0.696 121.085 120.400 -0.018 0.000 2.107 288 K HA 0.334 4.650 4.320 -0.008 0.000 0.251 288 K C 0.184 176.801 176.600 0.028 0.000 1.012 288 K CA -0.240 56.046 56.287 -0.001 0.000 0.920 288 K CB 0.850 33.349 32.500 -0.001 0.000 1.033 288 K HN -0.084 nan 8.250 nan 0.000 0.478 289 R N 1.838 122.343 120.500 0.008 0.000 2.687 289 R HA 0.252 4.588 4.340 -0.008 0.000 0.264 289 R C -0.905 175.396 176.300 0.001 0.000 1.715 289 R CA -0.635 55.480 56.100 0.024 0.000 1.633 289 R CB -0.385 29.916 30.300 0.003 0.000 1.353 289 R HN 0.486 nan 8.270 nan 0.000 0.653 290 I N 1.266 121.845 120.570 0.015 0.000 2.618 290 I HA 0.023 4.189 4.170 -0.008 0.000 0.284 290 I C 0.819 176.903 176.117 -0.055 0.000 1.146 290 I CA 0.940 62.221 61.300 -0.031 0.000 1.425 290 I CB 0.515 38.512 38.000 -0.005 0.000 1.383 290 I HN 0.115 nan 8.210 nan 0.000 0.562 291 T N 5.979 120.468 114.554 -0.108 0.000 2.770 291 T HA 0.616 4.961 4.350 -0.008 0.000 0.283 291 T C -0.288 174.282 174.700 -0.217 0.000 0.988 291 T CA -0.519 61.494 62.100 -0.145 0.000 0.957 291 T CB 1.031 69.833 68.868 -0.110 0.000 0.930 291 T HN 0.238 nan 8.240 nan 0.000 0.443 292 V N 3.384 123.118 119.914 -0.300 0.000 2.628 292 V HA 0.463 4.578 4.120 -0.008 0.000 0.306 292 V C -0.092 175.867 176.094 -0.224 0.000 1.045 292 V CA -0.944 61.143 62.300 -0.356 0.000 0.905 292 V CB 2.082 33.532 31.823 -0.621 0.000 0.997 292 V HN 0.872 nan 8.190 nan 0.000 0.436 293 E N 2.861 122.958 120.200 -0.172 0.000 2.683 293 E HA 0.611 4.956 4.350 -0.008 0.000 0.224 293 E C 0.087 176.644 176.600 -0.071 0.000 1.046 293 E CA -0.223 56.115 56.400 -0.104 0.000 0.811 293 E CB 1.547 31.196 29.700 -0.085 0.000 1.296 293 E HN 1.031 nan 8.360 nan 0.000 0.421 294 G N 0.714 109.487 108.800 -0.045 0.000 2.316 294 G HA2 0.393 4.348 3.960 -0.008 0.000 0.468 294 G HA3 0.393 4.348 3.960 -0.008 0.000 0.468 294 G C -0.138 174.791 174.900 0.049 0.000 1.523 294 G CA -0.248 44.851 45.100 -0.001 0.000 0.972 294 G HN 0.727 nan 8.290 nan 0.000 0.667 295 G N -0.022 108.831 108.800 0.089 0.000 2.712 295 G HA2 0.398 4.353 3.960 -0.008 0.000 0.683 295 G HA3 0.398 4.353 3.960 -0.008 0.000 0.683 295 G C -0.436 174.573 174.900 0.182 0.000 1.320 295 G CA -0.050 45.134 45.100 0.140 0.000 0.847 295 G HN 1.407 nan 8.290 nan 0.000 0.553 296 M N 0.830 120.560 119.600 0.218 0.000 2.294 296 M HA 0.399 4.874 4.480 -0.008 0.000 0.335 296 M C -2.263 174.138 176.300 0.168 0.000 1.079 296 M CA -2.183 53.230 55.300 0.190 0.000 0.982 296 M CB 1.181 33.893 32.600 0.186 0.000 1.651 296 M HN 0.278 nan 8.290 nan 0.000 0.437 297 P HA 0.077 nan 4.420 nan 0.000 0.268 297 P C -0.266 177.071 177.300 0.061 0.000 1.204 297 P CA 0.156 63.325 63.100 0.115 0.000 0.768 297 P CB 0.414 32.178 31.700 0.107 0.000 0.842 298 S N 2.225 117.935 115.700 0.017 0.000 3.456 298 S HA 0.349 4.814 4.470 -0.008 0.000 0.229 298 S C 1.132 175.721 174.600 -0.019 0.000 1.416 298 S CA 0.294 58.496 58.200 0.003 0.000 1.197 298 S CB -0.956 62.233 63.200 -0.018 0.000 1.201 298 S HN 0.780 nan 8.310 nan 0.000 0.479 299 G N 0.256 109.052 108.800 -0.007 0.000 4.719 299 G HA2 0.008 3.963 3.960 -0.008 0.000 0.220 299 G HA3 0.008 3.963 3.960 -0.008 0.000 0.220 299 G C 0.164 175.061 174.900 -0.006 0.000 0.663 299 G CA -0.242 44.843 45.100 -0.025 0.000 0.969 299 G HN 0.687 nan 8.290 nan 0.000 0.716 300 C N 0.445 119.758 119.300 0.023 0.000 2.539 300 C HA 0.819 5.274 4.460 -0.008 0.000 0.392 300 C C 1.342 176.340 174.990 0.014 0.000 1.269 300 C CA -0.410 58.630 59.018 0.036 0.000 2.250 300 C CB 0.791 28.574 27.740 0.071 0.000 2.584 300 C HN 0.538 nan 8.230 nan 0.000 0.589 301 S N 2.270 117.961 115.700 -0.015 0.000 2.563 301 S HA 0.376 4.841 4.470 -0.008 0.000 0.284 301 S C 1.196 175.807 174.600 0.017 0.000 1.331 301 S CA 0.776 58.970 58.200 -0.011 0.000 1.047 301 S CB -0.122 63.049 63.200 -0.049 0.000 0.859 301 S HN 2.762 nan 8.310 nan 0.000 0.514 302 A N 2.849 125.706 122.820 0.061 0.000 2.832 302 A HA -0.185 4.130 4.320 -0.008 0.000 0.280 302 A C 1.566 179.211 177.584 0.102 0.000 1.464 302 A CA 1.635 53.740 52.037 0.113 0.000 0.804 302 A CB -2.836 16.248 19.000 0.139 0.000 1.020 302 A HN 1.192 nan 8.150 nan 0.000 0.563 303 T N -1.036 113.558 114.554 0.066 0.000 2.746 303 T HA -0.095 4.251 4.350 -0.008 0.000 0.267 303 T C 2.003 176.739 174.700 0.059 0.000 1.039 303 T CA 2.496 64.635 62.100 0.064 0.000 1.142 303 T CB -0.266 68.629 68.868 0.046 0.000 0.866 303 T HN 0.823 nan 8.240 nan 0.000 0.444 304 S N 1.129 116.834 115.700 0.007 0.000 2.383 304 S HA 0.019 4.484 4.470 -0.008 0.000 0.227 304 S C 1.956 176.564 174.600 0.013 0.000 1.026 304 S CA 0.843 58.988 58.200 -0.091 0.000 0.981 304 S CB -0.279 62.731 63.200 -0.317 0.000 0.818 304 S HN 0.420 nan 8.310 nan 0.000 0.472 305 I N 2.003 122.643 120.570 0.117 0.000 2.179 305 I HA -0.136 4.030 4.170 -0.008 0.000 0.242 305 I C 2.111 178.377 176.117 0.249 0.000 1.088 305 I CA 1.162 62.595 61.300 0.222 0.000 1.357 305 I CB -1.190 37.000 38.000 0.316 0.000 1.051 305 I HN 0.248 nan 8.210 nan 0.000 0.409 306 I N 1.082 121.787 120.570 0.224 0.000 2.142 306 I HA -0.284 3.881 4.170 -0.008 0.000 0.240 306 I C 2.281 178.454 176.117 0.094 0.000 1.078 306 I CA 1.384 62.804 61.300 0.200 0.000 1.343 306 I CB -1.658 36.446 38.000 0.174 0.000 1.046 306 I HN 0.307 nan 8.210 nan 0.000 0.405 307 N N 0.780 119.547 118.700 0.113 0.000 2.069 307 N HA -0.160 4.575 4.740 -0.008 0.000 0.191 307 N C 1.826 177.488 175.510 0.254 0.000 1.031 307 N CA 2.095 55.288 53.050 0.240 0.000 0.852 307 N CB -0.661 38.036 38.487 0.349 0.000 1.018 307 N HN 0.378 nan 8.380 nan 0.000 0.423 308 T N 2.261 116.916 114.554 0.168 0.000 2.720 308 T HA -0.038 4.308 4.350 -0.008 0.000 0.268 308 T C 2.158 176.923 174.700 0.109 0.000 1.037 308 T CA 0.791 62.980 62.100 0.149 0.000 1.144 308 T CB -0.194 68.771 68.868 0.161 0.000 0.864 308 T HN 0.196 nan 8.240 nan 0.000 0.444 309 I N 0.624 121.272 120.570 0.129 0.000 2.142 309 I HA -0.148 4.017 4.170 -0.008 0.000 0.240 309 I C 2.363 178.387 176.117 -0.156 0.000 1.078 309 I CA 1.282 62.634 61.300 0.086 0.000 1.343 309 I CB -0.486 37.640 38.000 0.209 0.000 1.046 309 I HN 0.190 nan 8.210 nan 0.000 0.405 310 L N 0.412 121.525 121.223 -0.184 0.000 2.012 310 L HA -0.287 4.048 4.340 -0.008 0.000 0.210 310 L C 2.379 178.913 176.870 -0.560 0.000 1.073 310 L CA 1.983 56.518 54.840 -0.508 0.000 0.748 310 L CB -0.894 40.807 42.059 -0.596 0.000 0.891 310 L HN 0.403 nan 8.230 nan 0.000 0.431 311 N N -0.180 118.522 118.700 0.003 0.000 2.192 311 N HA -0.226 4.510 4.740 -0.008 0.000 0.188 311 N C 1.701 177.260 175.510 0.082 0.000 1.013 311 N CA 0.998 54.167 53.050 0.198 0.000 0.863 311 N CB 0.079 38.629 38.487 0.106 0.000 0.990 311 N HN 0.350 nan 8.380 nan 0.000 0.430 312 N N 0.529 119.148 118.700 -0.134 0.000 2.216 312 N HA -0.066 4.670 4.740 -0.008 0.000 0.183 312 N C 1.566 176.866 175.510 -0.349 0.000 1.017 312 N CA 0.647 53.517 53.050 -0.300 0.000 0.861 312 N CB 0.053 38.074 38.487 -0.777 0.000 0.986 312 N HN 0.320 nan 8.380 nan 0.000 0.428 313 I N 0.444 120.762 120.570 -0.420 0.000 2.353 313 I HA -0.179 3.987 4.170 -0.008 0.000 0.248 313 I C 1.814 177.931 176.117 0.001 0.000 1.119 313 I CA 0.806 61.907 61.300 -0.331 0.000 1.417 313 I CB -1.320 36.357 38.000 -0.538 0.000 1.078 313 I HN 0.043 nan 8.210 nan 0.000 0.421 314 Y N 1.338 121.716 120.300 0.131 0.000 2.181 314 Y HA -0.137 4.408 4.550 -0.007 0.000 0.288 314 Y C 2.828 178.750 175.900 0.035 0.000 1.146 314 Y CA 0.638 58.836 58.100 0.162 0.000 1.164 314 Y CB -1.591 37.076 38.460 0.345 0.000 0.982 314 Y HN -0.079 nan 8.280 nan 0.000 0.515 315 V N -0.220 119.879 119.914 0.309 0.000 2.392 315 V HA -0.269 3.846 4.120 -0.008 0.000 0.249 315 V C 2.335 178.368 176.094 -0.103 0.000 1.059 315 V CA 1.634 64.025 62.300 0.153 0.000 1.051 315 V CB -0.939 31.019 31.823 0.226 0.000 0.658 315 V HN 0.310 nan 8.190 nan 0.000 0.455 316 L N -0.387 120.847 121.223 0.017 0.000 2.007 316 L HA -0.128 4.208 4.340 -0.008 0.000 0.205 316 L C 2.364 179.225 176.870 -0.014 0.000 1.073 316 L CA 2.079 56.924 54.840 0.009 0.000 0.744 316 L CB -1.067 41.060 42.059 0.113 0.000 0.898 316 L HN 0.435 nan 8.230 nan 0.000 0.435 317 Y N 0.361 120.617 120.300 -0.074 0.000 2.241 317 Y HA -0.276 4.269 4.550 -0.007 0.000 0.286 317 Y C 2.166 177.963 175.900 -0.171 0.000 1.166 317 Y CA 1.806 59.872 58.100 -0.056 0.000 1.203 317 Y CB -0.563 37.972 38.460 0.125 0.000 0.977 317 Y HN 0.288 nan 8.280 nan 0.000 0.529 318 A N 0.321 123.077 122.820 -0.106 0.000 1.840 318 A HA -0.095 4.221 4.320 -0.008 0.000 0.214 318 A C 2.291 179.757 177.584 -0.196 0.000 1.198 318 A CA 1.607 53.450 52.037 -0.323 0.000 0.608 318 A CB -1.141 17.334 19.000 -0.875 0.000 0.839 318 A HN 0.495 nan 8.150 nan 0.000 0.443 319 L N -0.880 120.207 121.223 -0.226 0.000 2.079 319 L HA -0.202 4.134 4.340 -0.008 0.000 0.210 319 L C 2.823 179.696 176.870 0.005 0.000 1.081 319 L CA 1.428 56.186 54.840 -0.137 0.000 0.752 319 L CB -0.455 41.380 42.059 -0.374 0.000 0.896 319 L HN 0.363 nan 8.230 nan 0.000 0.433 320 R N -0.534 119.898 120.500 -0.114 0.000 2.148 320 R HA -0.089 4.246 4.340 -0.008 0.000 0.223 320 R C 2.211 178.395 176.300 -0.194 0.000 1.088 320 R CA 0.555 56.587 56.100 -0.113 0.000 0.985 320 R CB -0.169 30.048 30.300 -0.139 0.000 0.880 320 R HN 0.243 nan 8.270 nan 0.000 0.451 321 R N -0.406 119.881 120.500 -0.356 0.000 2.323 321 R HA -0.091 4.244 4.340 -0.008 0.000 0.198 321 R C 0.928 176.950 176.300 -0.463 0.000 0.988 321 R CA 0.877 56.634 56.100 -0.570 0.000 1.041 321 R CB 0.111 29.833 30.300 -0.964 0.000 0.926 321 R HN 0.251 nan 8.270 nan 0.000 0.476 322 H N -1.777 117.165 119.070 -0.214 0.000 2.521 322 H HA 0.200 4.751 4.556 -0.008 0.000 0.267 322 H C -0.546 174.597 175.328 -0.309 0.000 0.963 322 H CA 0.549 56.533 56.048 -0.106 0.000 1.175 322 H CB 0.376 30.113 29.762 -0.042 0.000 1.450 322 H HN -0.056 nan 8.280 nan 0.000 0.472 323 Y N 0.640 120.902 120.300 -0.063 0.000 2.654 323 Y HA 0.403 4.948 4.550 -0.008 0.000 0.327 323 Y C 0.006 175.832 175.900 -0.123 0.000 1.122 323 Y CA -1.214 56.815 58.100 -0.119 0.000 1.227 323 Y CB 0.819 39.221 38.460 -0.098 0.000 1.370 323 Y HN 0.080 nan 8.280 nan 0.000 0.528 324 E N -0.142 120.099 120.200 0.068 0.000 2.248 324 E HA 0.501 4.847 4.350 -0.008 0.000 0.267 324 E C 0.089 176.685 176.600 -0.006 0.000 0.877 324 E CA -0.742 55.657 56.400 -0.001 0.000 0.759 324 E CB 1.561 31.243 29.700 -0.030 0.000 1.182 324 E HN 0.861 nan 8.360 nan 0.000 0.418 325 G N 1.627 110.418 108.800 -0.015 0.000 2.165 325 G HA2 -0.205 3.751 3.960 -0.008 0.000 0.226 325 G HA3 -0.205 3.751 3.960 -0.008 0.000 0.226 325 G C -0.206 174.682 174.900 -0.021 0.000 1.035 325 G CA 0.042 45.132 45.100 -0.017 0.000 0.744 325 G HN 0.454 nan 8.290 nan 0.000 0.501 326 V N 0.812 120.718 119.914 -0.015 0.000 2.498 326 V HA 0.612 4.727 4.120 -0.008 0.000 0.279 326 V C 0.216 176.344 176.094 0.056 0.000 1.048 326 V CA -0.401 61.897 62.300 -0.003 0.000 0.967 326 V CB 1.570 33.374 31.823 -0.032 0.000 0.988 326 V HN 0.360 nan 8.190 nan 0.000 0.473 327 E N 3.097 123.362 120.200 0.107 0.000 2.320 327 E HA 0.452 4.797 4.350 -0.008 0.000 0.264 327 E C 0.733 177.434 176.600 0.169 0.000 0.923 327 E CA -0.897 55.572 56.400 0.115 0.000 0.796 327 E CB 2.046 31.791 29.700 0.075 0.000 1.262 327 E HN 0.400 nan 8.360 nan 0.000 0.428 328 L N 0.793 122.069 121.223 0.089 0.000 2.349 328 L HA -0.172 4.163 4.340 -0.008 0.000 0.220 328 L C 1.350 178.106 176.870 -0.189 0.000 1.130 328 L CA 1.277 56.090 54.840 -0.046 0.000 0.791 328 L CB -0.279 41.776 42.059 -0.008 0.000 0.918 328 L HN 0.485 nan 8.230 nan 0.000 0.444 329 D N -2.596 117.783 120.400 -0.035 0.000 2.363 329 D HA -0.049 4.586 4.640 -0.008 0.000 0.214 329 D C 1.427 177.781 176.300 0.090 0.000 1.093 329 D CA 0.286 54.280 54.000 -0.010 0.000 0.837 329 D CB 0.008 40.822 40.800 0.023 0.000 0.948 329 D HN 0.062 nan 8.370 nan 0.000 0.507 330 T N -0.208 114.458 114.554 0.185 0.000 3.055 330 T HA 0.024 4.370 4.350 -0.008 0.000 0.265 330 T C -0.010 174.976 174.700 0.476 0.000 1.111 330 T CA 0.693 63.009 62.100 0.360 0.000 1.118 330 T CB -0.251 68.809 68.868 0.321 0.000 0.909 330 T HN 0.449 nan 8.240 nan 0.000 0.501 331 Y N -1.478 118.923 120.300 0.168 0.000 2.670 331 Y HA 0.709 5.255 4.550 -0.008 0.000 0.334 331 Y C -0.849 175.118 175.900 0.112 0.000 1.185 331 Y CA -1.799 56.408 58.100 0.177 0.000 1.053 331 Y CB 1.123 39.684 38.460 0.169 0.000 1.298 331 Y HN -0.238 nan 8.280 nan 0.000 0.459 332 T N 3.231 117.783 114.554 -0.002 0.000 2.893 332 T HA 0.825 5.170 4.350 -0.008 0.000 0.291 332 T C -0.891 173.775 174.700 -0.056 0.000 1.028 332 T CA -0.519 61.462 62.100 -0.199 0.000 0.995 332 T CB 0.731 69.369 68.868 -0.383 0.000 1.051 332 T HN 1.057 nan 8.240 nan 0.000 0.470 333 M N 3.476 123.064 119.600 -0.019 0.000 3.008 333 M HA 0.757 5.233 4.480 -0.008 0.000 0.271 333 M C -2.016 174.357 176.300 0.122 0.000 1.265 333 M CA -1.048 54.361 55.300 0.181 0.000 0.817 333 M CB 2.045 34.805 32.600 0.267 0.000 1.638 333 M HN 0.626 nan 8.290 nan 0.000 0.479 334 I N 1.273 121.879 120.570 0.059 0.000 2.828 334 I HA 0.720 4.885 4.170 -0.008 0.000 0.295 334 I C -1.796 174.219 176.117 -0.170 0.000 1.459 334 I CA 0.088 61.332 61.300 -0.093 0.000 1.015 334 I CB 2.352 40.179 38.000 -0.290 0.000 1.345 334 I HN 1.136 nan 8.210 nan 0.000 0.449 335 S N 4.496 120.240 115.700 0.072 0.000 2.565 335 S HA 0.510 4.975 4.470 -0.008 0.000 0.269 335 S C -1.655 173.263 174.600 0.530 0.000 1.153 335 S CA -0.627 57.774 58.200 0.335 0.000 0.835 335 S CB 1.728 65.066 63.200 0.230 0.000 1.122 335 S HN 0.663 nan 8.310 nan 0.000 0.462 336 Y N 1.286 121.829 120.300 0.405 0.000 2.662 336 Y HA 0.571 5.117 4.550 -0.007 0.000 0.358 336 Y C 0.793 176.774 175.900 0.135 0.000 1.041 336 Y CA 0.667 58.887 58.100 0.201 0.000 1.184 336 Y CB 0.307 38.788 38.460 0.034 0.000 1.114 336 Y HN 1.601 nan 8.280 nan 0.000 0.650 337 G N 3.176 111.968 108.800 -0.012 0.000 2.947 337 G HA2 -0.328 3.627 3.960 -0.008 0.000 0.251 337 G HA3 -0.328 3.627 3.960 -0.008 0.000 0.251 337 G C 0.822 175.763 174.900 0.068 0.000 1.481 337 G CA 0.447 45.563 45.100 0.026 0.000 1.006 337 G HN 0.526 nan 8.290 nan 0.000 0.561 338 D N 0.955 121.373 120.400 0.030 0.000 2.262 338 D HA 0.059 4.695 4.640 -0.008 0.000 0.212 338 D C 0.561 176.862 176.300 0.002 0.000 0.964 338 D CA 0.718 54.561 54.000 -0.261 0.000 0.875 338 D CB -0.287 40.508 40.800 -0.008 0.000 0.996 338 D HN 0.402 nan 8.370 nan 0.000 0.497 339 D N 1.049 121.525 120.400 0.127 0.000 2.434 339 D HA 0.124 4.760 4.640 -0.008 0.000 0.252 339 D C -0.266 176.251 176.300 0.362 0.000 1.185 339 D CA 0.151 54.279 54.000 0.215 0.000 0.886 339 D CB 0.712 41.610 40.800 0.163 0.000 1.148 339 D HN 0.249 nan 8.370 nan 0.000 0.483 340 I N 2.356 123.090 120.570 0.273 0.000 2.969 340 I HA 0.401 4.566 4.170 -0.008 0.000 0.307 340 I C -1.592 174.554 176.117 0.049 0.000 1.149 340 I CA -0.814 60.600 61.300 0.190 0.000 1.008 340 I CB 2.309 40.432 38.000 0.205 0.000 1.232 340 I HN 0.065 nan 8.210 nan 0.000 0.435 341 V N 6.634 126.480 119.914 -0.113 0.000 2.524 341 V HA 0.428 4.543 4.120 -0.008 0.000 0.297 341 V C -0.373 175.763 176.094 0.071 0.000 1.035 341 V CA -0.501 61.695 62.300 -0.172 0.000 0.867 341 V CB 1.643 33.088 31.823 -0.630 0.000 1.004 341 V HN 0.486 nan 8.190 nan 0.000 0.426 342 V N 3.157 123.209 119.914 0.229 0.000 2.850 342 V HA 1.006 5.122 4.120 -0.008 0.000 0.315 342 V C 0.277 176.666 176.094 0.491 0.000 1.064 342 V CA -0.323 62.233 62.300 0.425 0.000 0.979 342 V CB 1.913 34.050 31.823 0.523 0.000 1.039 342 V HN 1.079 nan 8.190 nan 0.000 0.452 343 A N 1.840 124.931 122.820 0.452 0.000 2.604 343 A HA 0.909 5.224 4.320 -0.008 0.000 0.295 343 A C -0.726 177.075 177.584 0.362 0.000 1.067 343 A CA -0.202 52.001 52.037 0.276 0.000 0.683 343 A CB 2.072 20.962 19.000 -0.184 0.000 1.281 343 A HN 1.162 nan 8.150 nan 0.000 0.407 344 S N -0.461 115.541 115.700 0.502 0.000 2.614 344 S HA 0.365 4.831 4.470 -0.008 0.000 0.280 344 S C -0.722 174.098 174.600 0.367 0.000 1.111 344 S CA -0.076 58.449 58.200 0.542 0.000 0.847 344 S CB 0.973 64.530 63.200 0.595 0.000 1.079 344 S HN 0.628 nan 8.310 nan 0.000 0.452 345 D N 0.762 121.237 120.400 0.124 0.000 2.123 345 D HA 0.028 4.663 4.640 -0.008 0.000 0.200 345 D C 0.053 176.359 176.300 0.010 0.000 0.976 345 D CA 1.308 55.268 54.000 -0.067 0.000 0.831 345 D CB -0.165 40.450 40.800 -0.309 0.000 0.974 345 D HN 0.525 nan 8.370 nan 0.000 0.469 346 Y N 2.035 122.443 120.300 0.180 0.000 2.717 346 Y HA -0.009 4.536 4.550 -0.008 0.000 0.330 346 Y C 0.697 176.758 175.900 0.267 0.000 1.217 346 Y CA -0.230 57.965 58.100 0.158 0.000 1.506 346 Y CB 0.144 38.650 38.460 0.077 0.000 1.268 346 Y HN -0.199 nan 8.280 nan 0.000 0.561 347 D N 3.964 124.602 120.400 0.397 0.000 2.745 347 D HA 0.077 4.713 4.640 -0.008 0.000 0.229 347 D C -0.034 176.521 176.300 0.426 0.000 1.088 347 D CA 0.194 54.441 54.000 0.411 0.000 1.054 347 D CB -0.627 40.345 40.800 0.287 0.000 1.132 347 D HN 0.390 nan 8.370 nan 0.000 0.464 348 L N 0.710 122.191 121.223 0.430 0.000 2.559 348 L HA -0.036 4.300 4.340 -0.008 0.000 0.282 348 L C 0.957 177.973 176.870 0.243 0.000 1.232 348 L CA 0.365 55.307 54.840 0.170 0.000 0.885 348 L CB 0.319 42.301 42.059 -0.127 0.000 1.131 348 L HN 0.032 nan 8.230 nan 0.000 0.498 349 D N 2.305 122.826 120.400 0.203 0.000 2.485 349 D HA 0.157 4.792 4.640 -0.008 0.000 0.221 349 D C 0.601 176.848 176.300 -0.088 0.000 1.112 349 D CA -0.313 53.772 54.000 0.141 0.000 0.911 349 D CB 0.521 41.400 40.800 0.131 0.000 1.019 349 D HN 0.229 nan 8.370 nan 0.000 0.516 350 F N 1.335 121.037 119.950 -0.414 0.000 2.293 350 F HA -0.052 4.470 4.527 -0.008 0.000 0.300 350 F C 2.264 177.669 175.800 -0.660 0.000 1.086 350 F CA 0.567 58.162 58.000 -0.675 0.000 1.375 350 F CB -0.002 38.337 39.000 -1.101 0.000 1.045 350 F HN 0.381 nan 8.300 nan 0.000 0.516 351 E N 0.106 120.184 120.200 -0.203 0.000 2.118 351 E HA -0.177 4.169 4.350 -0.008 0.000 0.195 351 E C 2.243 178.736 176.600 -0.180 0.000 0.992 351 E CA 1.229 57.574 56.400 -0.092 0.000 0.804 351 E CB -0.460 29.300 29.700 0.099 0.000 0.741 351 E HN 0.314 nan 8.360 nan 0.000 0.458 352 A N 0.136 122.794 122.820 -0.271 0.000 2.238 352 A HA 0.079 4.394 4.320 -0.008 0.000 0.208 352 A C 1.974 179.143 177.584 -0.692 0.000 1.177 352 A CA 0.149 51.937 52.037 -0.415 0.000 0.804 352 A CB -0.200 18.532 19.000 -0.446 0.000 0.823 352 A HN 0.127 nan 8.150 nan 0.000 0.482 353 L N -1.473 119.430 121.223 -0.533 0.000 2.463 353 L HA 0.031 4.367 4.340 -0.008 0.000 0.219 353 L C 2.084 178.910 176.870 -0.073 0.000 1.088 353 L CA 0.249 54.851 54.840 -0.397 0.000 0.849 353 L CB -0.246 41.669 42.059 -0.239 0.000 1.012 353 L HN 0.274 nan 8.230 nan 0.000 0.468 354 K N 0.908 121.220 120.400 -0.147 0.000 2.034 354 K HA -0.216 4.099 4.320 -0.008 0.000 0.214 354 K C -0.446 176.193 176.600 0.064 0.000 1.051 354 K CA 1.821 58.088 56.287 -0.033 0.000 0.931 354 K CB -1.325 31.143 32.500 -0.054 0.000 0.715 354 K HN 0.246 nan 8.250 nan 0.000 0.446 355 P HA -0.147 nan 4.420 nan 0.000 0.218 355 P C 0.728 178.117 177.300 0.148 0.000 1.148 355 P CA 1.361 64.472 63.100 0.019 0.000 0.822 355 P CB -0.035 31.633 31.700 -0.053 0.000 0.784 356 H N -2.733 116.382 119.070 0.074 0.000 2.389 356 H HA -0.030 4.521 4.556 -0.008 0.000 0.299 356 H C 1.516 176.877 175.328 0.056 0.000 1.081 356 H CA 0.587 56.657 56.048 0.036 0.000 1.345 356 H CB -0.442 29.272 29.762 -0.080 0.000 1.393 356 H HN 0.119 nan 8.280 nan 0.000 0.520 357 F N 1.110 121.143 119.950 0.138 0.000 2.407 357 F HA -0.076 4.446 4.527 -0.008 0.000 0.299 357 F C 2.164 177.960 175.800 -0.006 0.000 1.097 357 F CA 0.624 58.661 58.000 0.062 0.000 1.422 357 F CB 0.071 39.115 39.000 0.072 0.000 1.067 357 F HN -0.069 nan 8.300 nan 0.000 0.539 358 K N 0.292 120.811 120.400 0.197 0.000 2.211 358 K HA -0.092 4.223 4.320 -0.008 0.000 0.203 358 K C 2.208 178.830 176.600 0.037 0.000 1.050 358 K CA 1.338 57.681 56.287 0.094 0.000 0.945 358 K CB -0.729 31.821 32.500 0.083 0.000 0.732 358 K HN 0.350 nan 8.250 nan 0.000 0.451 359 S N 0.435 116.169 115.700 0.058 0.000 2.447 359 S HA -0.041 4.424 4.470 -0.008 0.000 0.233 359 S C 1.900 176.441 174.600 -0.098 0.000 1.006 359 S CA 0.653 58.867 58.200 0.024 0.000 0.957 359 S CB -0.278 62.996 63.200 0.123 0.000 0.773 359 S HN 0.216 nan 8.310 nan 0.000 0.507 360 L N 0.371 121.483 121.223 -0.185 0.000 2.554 360 L HA 0.402 4.737 4.340 -0.008 0.000 0.225 360 L C 1.853 178.552 176.870 -0.285 0.000 1.104 360 L CA 0.385 55.000 54.840 -0.376 0.000 0.866 360 L CB -0.266 41.403 42.059 -0.650 0.000 1.047 360 L HN 0.568 nan 8.230 nan 0.000 0.468 361 G N -0.656 108.051 108.800 -0.155 0.000 2.159 361 G HA2 -0.175 3.781 3.960 -0.008 0.000 0.227 361 G HA3 -0.175 3.781 3.960 -0.008 0.000 0.227 361 G C 0.117 174.971 174.900 -0.077 0.000 0.986 361 G CA -0.427 44.607 45.100 -0.111 0.000 0.651 361 G HN 0.228 nan 8.290 nan 0.000 0.523 362 Q N 0.308 120.091 119.800 -0.028 0.000 2.226 362 Q HA 0.671 5.007 4.340 -0.008 0.000 0.256 362 Q C -0.537 175.569 176.000 0.177 0.000 0.962 362 Q CA -0.070 55.804 55.803 0.119 0.000 0.887 362 Q CB 1.726 30.619 28.738 0.259 0.000 1.282 362 Q HN 0.166 nan 8.270 nan 0.000 0.449 363 T N 2.431 117.091 114.554 0.177 0.000 2.991 363 T HA 0.419 4.765 4.350 -0.008 0.000 0.347 363 T C 0.471 175.187 174.700 0.027 0.000 1.122 363 T CA -0.511 61.644 62.100 0.092 0.000 1.062 363 T CB -0.201 68.707 68.868 0.068 0.000 1.043 363 T HN 0.466 nan 8.240 nan 0.000 0.491 364 I N 0.837 121.331 120.570 -0.127 0.000 2.638 364 I HA 0.732 4.898 4.170 -0.008 0.000 0.286 364 I C 0.199 176.345 176.117 0.050 0.000 1.088 364 I CA -0.174 60.969 61.300 -0.261 0.000 1.397 364 I CB 1.061 38.658 38.000 -0.672 0.000 1.414 364 I HN 0.439 nan 8.210 nan 0.000 0.566 365 T N 5.357 119.989 114.554 0.131 0.000 2.932 365 T HA 0.501 4.847 4.350 -0.008 0.000 0.318 365 T C -2.945 171.615 174.700 -0.233 0.000 1.265 365 T CA -1.376 60.762 62.100 0.063 0.000 1.036 365 T CB 2.161 71.009 68.868 -0.033 0.000 1.209 365 T HN 0.662 nan 8.240 nan 0.000 0.484 366 P HA 0.307 nan 4.420 nan 0.000 0.275 366 P C 0.211 177.291 177.300 -0.368 0.000 1.228 366 P CA -0.268 62.327 63.100 -0.841 0.000 0.786 366 P CB 0.979 32.062 31.700 -1.028 0.000 0.927 367 A N 1.820 124.480 122.820 -0.268 0.000 2.208 367 A HA -0.042 4.274 4.320 -0.008 0.000 0.209 367 A C 1.027 178.515 177.584 -0.161 0.000 1.161 367 A CA 0.849 52.785 52.037 -0.168 0.000 0.782 367 A CB -0.792 18.129 19.000 -0.131 0.000 0.816 367 A HN 0.530 nan 8.150 nan 0.000 0.477 368 D N -0.351 119.924 120.400 -0.209 0.000 2.772 368 D HA 0.281 4.917 4.640 -0.008 0.000 0.273 368 D C 0.932 177.148 176.300 -0.140 0.000 1.233 368 D CA -0.189 53.714 54.000 -0.161 0.000 0.984 368 D CB 0.008 40.690 40.800 -0.197 0.000 1.000 368 D HN 0.226 nan 8.370 nan 0.000 0.514 369 K N -0.275 120.053 120.400 -0.119 0.000 2.293 369 K HA -0.189 4.126 4.320 -0.008 0.000 0.204 369 K C 1.971 178.533 176.600 -0.063 0.000 1.045 369 K CA 1.249 57.477 56.287 -0.097 0.000 0.933 369 K CB -0.093 32.364 32.500 -0.071 0.000 0.736 369 K HN 0.345 nan 8.250 nan 0.000 0.463 370 S N 1.742 117.414 115.700 -0.047 0.000 2.420 370 S HA -0.193 4.272 4.470 -0.008 0.000 0.237 370 S C 1.365 175.957 174.600 -0.013 0.000 1.023 370 S CA 1.760 59.947 58.200 -0.021 0.000 0.991 370 S CB -0.372 62.823 63.200 -0.008 0.000 0.792 370 S HN 0.497 nan 8.310 nan 0.000 0.488 371 D N -0.017 120.370 120.400 -0.022 0.000 2.366 371 D HA 0.248 4.883 4.640 -0.008 0.000 0.205 371 D C 1.220 177.512 176.300 -0.015 0.000 1.022 371 D CA 0.883 54.881 54.000 -0.003 0.000 0.868 371 D CB -0.648 40.165 40.800 0.021 0.000 0.953 371 D HN 0.575 nan 8.370 nan 0.000 0.514 372 K N -0.853 119.521 120.400 -0.044 0.000 3.495 372 K HA -0.034 4.282 4.320 -0.008 0.000 0.315 372 K C 0.727 177.307 176.600 -0.033 0.000 1.301 372 K CA 1.514 57.777 56.287 -0.040 0.000 0.985 372 K CB -2.442 30.051 32.500 -0.011 0.000 1.244 372 K HN 1.106 nan 8.250 nan 0.000 0.433 373 G N -1.626 107.150 108.800 -0.040 0.000 2.720 373 G HA2 0.616 4.572 3.960 -0.008 0.000 0.295 373 G HA3 0.616 4.572 3.960 -0.008 0.000 0.295 373 G C -0.734 174.185 174.900 0.031 0.000 1.437 373 G CA -0.497 44.620 45.100 0.028 0.000 0.886 373 G HN 0.629 nan 8.290 nan 0.000 0.509 374 F N 1.379 121.382 119.950 0.089 0.000 2.538 374 F HA 0.354 4.876 4.527 -0.008 0.000 0.382 374 F C 1.302 177.226 175.800 0.206 0.000 1.069 374 F CA 0.013 58.106 58.000 0.156 0.000 1.138 374 F CB 0.633 39.732 39.000 0.164 0.000 1.068 374 F HN 0.338 nan 8.300 nan 0.000 0.556 375 V N 2.289 122.406 119.914 0.339 0.000 3.096 375 V HA 0.744 4.859 4.120 -0.008 0.000 0.319 375 V C -0.350 175.880 176.094 0.227 0.000 1.103 375 V CA -1.080 61.364 62.300 0.240 0.000 1.016 375 V CB 1.742 33.631 31.823 0.110 0.000 1.090 375 V HN 0.456 nan 8.190 nan 0.000 0.449 376 L N 0.826 122.098 121.223 0.081 0.000 2.421 376 L HA 0.953 5.289 4.340 -0.008 0.000 0.267 376 L C 1.516 178.233 176.870 -0.254 0.000 1.036 376 L CA 0.691 55.507 54.840 -0.041 0.000 0.829 376 L CB 0.834 42.953 42.059 0.100 0.000 1.437 376 L HN 1.198 nan 8.230 nan 0.000 0.488 377 G N -1.819 106.834 108.800 -0.245 0.000 2.225 377 G HA2 -0.220 3.736 3.960 -0.008 0.000 0.254 377 G HA3 -0.220 3.736 3.960 -0.008 0.000 0.254 377 G C 0.380 175.121 174.900 -0.266 0.000 0.988 377 G CA -0.127 44.830 45.100 -0.238 0.000 0.625 377 G HN 0.566 nan 8.290 nan 0.000 0.527 378 H N 1.656 120.596 119.070 -0.217 0.000 2.732 378 H HA 0.511 5.062 4.556 -0.008 0.000 0.351 378 H C 1.088 176.289 175.328 -0.212 0.000 1.090 378 H CA 0.889 56.816 56.048 -0.202 0.000 1.431 378 H CB 1.332 30.950 29.762 -0.241 0.000 1.447 378 H HN 0.588 nan 8.280 nan 0.000 0.582 379 S N 2.097 117.806 115.700 0.016 0.000 2.768 379 S HA 0.256 4.722 4.470 -0.008 0.000 0.300 379 S C 1.437 176.007 174.600 -0.050 0.000 1.122 379 S CA -0.905 57.278 58.200 -0.027 0.000 0.995 379 S CB 1.005 64.210 63.200 0.008 0.000 1.195 379 S HN 0.673 nan 8.310 nan 0.000 0.547 380 I N 0.898 121.416 120.570 -0.087 0.000 2.676 380 I HA -0.102 4.063 4.170 -0.008 0.000 0.259 380 I C 1.893 177.972 176.117 -0.064 0.000 1.194 380 I CA 1.541 62.708 61.300 -0.222 0.000 1.473 380 I CB -0.406 37.325 38.000 -0.448 0.000 1.096 380 I HN 0.936 nan 8.210 nan 0.000 0.443 381 T N -3.164 111.433 114.554 0.071 0.000 3.380 381 T HA 0.081 4.426 4.350 -0.008 0.000 0.250 381 T C 0.747 175.573 174.700 0.211 0.000 1.082 381 T CA 0.096 62.335 62.100 0.231 0.000 0.968 381 T CB -0.288 68.720 68.868 0.233 0.000 1.027 381 T HN 0.359 nan 8.240 nan 0.000 0.575 382 D N 0.515 120.987 120.400 0.120 0.000 2.448 382 D HA 0.152 4.787 4.640 -0.008 0.000 0.256 382 D C 1.105 177.390 176.300 -0.025 0.000 1.108 382 D CA 0.190 54.229 54.000 0.065 0.000 0.848 382 D CB 1.094 41.911 40.800 0.028 0.000 1.281 382 D HN 0.515 nan 8.370 nan 0.000 0.509 383 V N -0.190 119.706 119.914 -0.029 0.000 3.403 383 V HA 0.716 4.831 4.120 -0.008 0.000 0.305 383 V C 0.082 176.131 176.094 -0.074 0.000 1.060 383 V CA -0.093 62.160 62.300 -0.079 0.000 1.053 383 V CB 1.506 33.273 31.823 -0.093 0.000 1.198 383 V HN -0.115 nan 8.190 nan 0.000 0.447 384 T N 2.251 116.742 114.554 -0.105 0.000 2.937 384 T HA 0.539 4.885 4.350 -0.008 0.000 0.297 384 T C -1.443 173.311 174.700 0.091 0.000 0.991 384 T CA 0.110 62.114 62.100 -0.161 0.000 0.990 384 T CB 0.989 69.626 68.868 -0.384 0.000 0.991 384 T HN 0.701 nan 8.240 nan 0.000 0.440 385 F N 5.195 125.131 119.950 -0.023 0.000 2.460 385 F HA 0.572 5.094 4.527 -0.008 0.000 0.341 385 F C 0.182 176.085 175.800 0.171 0.000 1.130 385 F CA -1.560 56.482 58.000 0.070 0.000 0.962 385 F CB 0.367 39.402 39.000 0.057 0.000 1.171 385 F HN 0.589 nan 8.300 nan 0.000 0.436 386 L N 7.023 128.062 121.223 -0.307 0.000 3.487 386 L HA -0.299 4.036 4.340 -0.008 0.000 0.450 386 L C 0.624 177.393 176.870 -0.169 0.000 1.290 386 L CA 0.130 54.779 54.840 -0.320 0.000 0.874 386 L CB -1.215 40.569 42.059 -0.458 0.000 1.804 386 L HN 0.747 nan 8.230 nan 0.000 0.831 387 K N -1.835 118.509 120.400 -0.094 0.000 3.193 387 K HA -0.168 4.148 4.320 -0.008 0.000 0.294 387 K C 0.346 176.926 176.600 -0.035 0.000 1.185 387 K CA 1.501 57.754 56.287 -0.057 0.000 0.866 387 K CB -0.860 31.591 32.500 -0.082 0.000 1.227 387 K HN 0.689 nan 8.250 nan 0.000 0.467 388 R N -0.101 120.383 120.500 -0.027 0.000 2.686 388 R HA 0.453 4.788 4.340 -0.008 0.000 0.286 388 R C -0.120 176.207 176.300 0.045 0.000 0.969 388 R CA -0.877 55.223 56.100 0.001 0.000 0.898 388 R CB 1.342 31.512 30.300 -0.217 0.000 1.183 388 R HN 0.061 nan 8.270 nan 0.000 0.456 389 H N 0.380 119.374 119.070 -0.126 0.000 2.580 389 H HA 0.415 4.966 4.556 -0.008 0.000 0.324 389 H C -0.799 174.425 175.328 -0.173 0.000 1.436 389 H CA -0.335 55.630 56.048 -0.138 0.000 1.464 389 H CB 0.635 30.264 29.762 -0.223 0.000 1.752 389 H HN 0.341 nan 8.280 nan 0.000 0.726 390 F N 0.783 120.920 119.950 0.312 0.000 2.434 390 F HA 0.288 4.811 4.527 -0.008 0.000 0.367 390 F C -0.114 176.014 175.800 0.547 0.000 1.093 390 F CA -0.358 57.832 58.000 0.317 0.000 1.085 390 F CB 0.374 39.371 39.000 -0.005 0.000 1.322 390 F HN 0.374 nan 8.300 nan 0.000 0.452 391 H N 2.011 121.384 119.070 0.505 0.000 2.529 391 H HA 0.434 4.985 4.556 -0.008 0.000 0.348 391 H C -0.504 175.029 175.328 0.341 0.000 1.152 391 H CA -1.478 54.785 56.048 0.357 0.000 1.202 391 H CB 2.267 32.154 29.762 0.208 0.000 1.562 391 H HN 0.368 nan 8.280 nan 0.000 0.515 392 M N 2.967 122.743 119.600 0.294 0.000 2.135 392 M HA 0.054 4.529 4.480 -0.008 0.000 0.345 392 M C -0.687 175.667 176.300 0.090 0.000 1.340 392 M CA -0.406 54.933 55.300 0.066 0.000 1.162 392 M CB -0.213 32.367 32.600 -0.033 0.000 1.570 392 M HN 0.472 nan 8.290 nan 0.000 0.454 393 D N 4.159 124.636 120.400 0.129 0.000 2.389 393 D HA 0.059 4.694 4.640 -0.008 0.000 0.263 393 D C 1.073 177.435 176.300 0.103 0.000 1.255 393 D CA 0.942 55.034 54.000 0.152 0.000 0.914 393 D CB 0.253 41.225 40.800 0.287 0.000 1.116 393 D HN 0.655 nan 8.370 nan 0.000 0.502 394 Y N 2.621 122.966 120.300 0.076 0.000 2.315 394 Y HA -0.018 4.527 4.550 -0.008 0.000 0.288 394 Y C 2.033 177.968 175.900 0.059 0.000 1.154 394 Y CA 1.412 59.536 58.100 0.040 0.000 1.229 394 Y CB -1.017 37.457 38.460 0.024 0.000 0.980 394 Y HN 0.609 nan 8.280 nan 0.000 0.540 395 G N -0.072 108.812 108.800 0.139 0.000 2.679 395 G HA2 -0.158 3.798 3.960 -0.008 0.000 0.214 395 G HA3 -0.158 3.798 3.960 -0.008 0.000 0.214 395 G C 1.686 176.658 174.900 0.120 0.000 1.315 395 G CA 2.105 47.322 45.100 0.196 0.000 0.836 395 G HN 0.843 nan 8.290 nan 0.000 0.580 396 T N -1.992 112.656 114.554 0.156 0.000 3.169 396 T HA 0.384 4.729 4.350 -0.008 0.000 0.250 396 T C 1.822 176.242 174.700 -0.466 0.000 1.111 396 T CA 0.943 62.963 62.100 -0.132 0.000 1.010 396 T CB 0.112 68.962 68.868 -0.030 0.000 0.984 396 T HN 1.573 nan 8.240 nan 0.000 0.537 397 G N 0.864 109.545 108.800 -0.198 0.000 2.166 397 G HA2 -0.248 3.708 3.960 -0.008 0.000 0.260 397 G HA3 -0.248 3.708 3.960 -0.008 0.000 0.260 397 G C -0.102 174.651 174.900 -0.245 0.000 0.986 397 G CA 0.221 45.178 45.100 -0.239 0.000 0.683 397 G HN 0.535 nan 8.290 nan 0.000 0.527 398 F N -0.923 119.067 119.950 0.066 0.000 2.375 398 F HA 0.730 5.253 4.527 -0.008 0.000 0.317 398 F C 0.833 176.705 175.800 0.119 0.000 1.124 398 F CA -1.715 56.334 58.000 0.082 0.000 1.050 398 F CB 0.311 39.401 39.000 0.150 0.000 1.314 398 F HN 0.004 nan 8.300 nan 0.000 0.511 399 Y N 0.655 121.285 120.300 0.550 0.000 2.310 399 Y HA 0.408 4.953 4.550 -0.007 0.000 0.326 399 Y C 0.005 176.224 175.900 0.531 0.000 1.151 399 Y CA -0.677 57.717 58.100 0.489 0.000 1.195 399 Y CB 0.967 39.710 38.460 0.472 0.000 1.210 399 Y HN 0.326 nan 8.280 nan 0.000 0.483 400 K N 2.484 123.207 120.400 0.539 0.000 2.468 400 K HA 0.560 4.876 4.320 -0.008 0.000 0.252 400 K C -3.410 173.211 176.600 0.034 0.000 0.932 400 K CA -2.386 53.937 56.287 0.060 0.000 0.794 400 K CB 2.238 34.353 32.500 -0.641 0.000 1.241 400 K HN 0.155 nan 8.250 nan 0.000 0.428 401 P HA -0.002 nan 4.420 nan 0.000 0.264 401 P C -0.929 176.311 177.300 -0.100 0.000 1.229 401 P CA -0.245 62.582 63.100 -0.455 0.000 0.780 401 P CB 0.563 31.791 31.700 -0.786 0.000 0.808 402 V N 6.061 125.902 119.914 -0.122 0.000 2.293 402 V HA 0.290 4.405 4.120 -0.008 0.000 0.275 402 V C 0.410 176.407 176.094 -0.161 0.000 1.021 402 V CA -0.327 61.880 62.300 -0.157 0.000 0.815 402 V CB 0.749 32.359 31.823 -0.356 0.000 1.025 402 V HN 0.504 nan 8.190 nan 0.000 0.448 403 M N 3.360 122.888 119.600 -0.120 0.000 2.250 403 M HA 0.541 5.017 4.480 -0.008 0.000 0.344 403 M C 0.758 176.975 176.300 -0.138 0.000 1.150 403 M CA -0.116 55.127 55.300 -0.096 0.000 1.147 403 M CB 1.128 33.663 32.600 -0.108 0.000 1.498 403 M HN 0.674 nan 8.290 nan 0.000 0.461 404 A N 1.995 124.742 122.820 -0.121 0.000 2.511 404 A HA 0.134 4.449 4.320 -0.008 0.000 0.242 404 A C 1.075 178.588 177.584 -0.119 0.000 1.069 404 A CA -0.169 51.788 52.037 -0.133 0.000 0.763 404 A CB 0.126 19.096 19.000 -0.051 0.000 1.001 404 A HN 0.977 nan 8.150 nan 0.000 0.498 405 S N 1.605 117.238 115.700 -0.112 0.000 2.370 405 S HA -0.142 4.324 4.470 -0.008 0.000 0.226 405 S C 1.986 176.480 174.600 -0.177 0.000 1.033 405 S CA 1.525 59.646 58.200 -0.132 0.000 1.011 405 S CB -0.186 62.953 63.200 -0.103 0.000 0.852 405 S HN 0.726 nan 8.310 nan 0.000 0.457 406 K N 0.993 121.323 120.400 -0.118 0.000 2.152 406 K HA -0.023 4.292 4.320 -0.008 0.000 0.206 406 K C 2.205 178.698 176.600 -0.178 0.000 1.048 406 K CA 1.232 57.461 56.287 -0.096 0.000 0.933 406 K CB -1.032 31.484 32.500 0.027 0.000 0.721 406 K HN 0.378 nan 8.250 nan 0.000 0.447 407 T N 2.089 116.534 114.554 -0.182 0.000 2.777 407 T HA -0.020 4.325 4.350 -0.008 0.000 0.266 407 T C 2.056 176.573 174.700 -0.306 0.000 1.040 407 T CA 0.807 62.741 62.100 -0.276 0.000 1.141 407 T CB -0.108 68.661 68.868 -0.166 0.000 0.868 407 T HN 0.096 nan 8.240 nan 0.000 0.444 408 L N 0.712 121.786 121.223 -0.248 0.000 2.046 408 L HA -0.082 4.253 4.340 -0.008 0.000 0.208 408 L C 2.731 179.410 176.870 -0.319 0.000 1.077 408 L CA 1.406 56.098 54.840 -0.247 0.000 0.747 408 L CB -0.626 41.312 42.059 -0.201 0.000 0.896 408 L HN 0.308 nan 8.230 nan 0.000 0.432 409 E N 0.392 120.334 120.200 -0.430 0.000 2.058 409 E HA -0.253 4.092 4.350 -0.008 0.000 0.194 409 E C 2.290 178.742 176.600 -0.246 0.000 0.997 409 E CA 1.313 57.346 56.400 -0.611 0.000 0.801 409 E CB -0.210 29.009 29.700 -0.802 0.000 0.746 409 E HN 0.510 nan 8.360 nan 0.000 0.450 410 A N 0.851 123.513 122.820 -0.264 0.000 2.019 410 A HA -0.141 4.174 4.320 -0.008 0.000 0.219 410 A C 2.096 179.656 177.584 -0.041 0.000 1.164 410 A CA 0.938 52.862 52.037 -0.188 0.000 0.644 410 A CB -0.447 18.035 19.000 -0.863 0.000 0.805 410 A HN 0.155 nan 8.150 nan 0.000 0.449 411 I N -0.721 119.761 120.570 -0.147 0.000 2.406 411 I HA -0.127 4.039 4.170 -0.008 0.000 0.249 411 I C 1.547 177.654 176.117 -0.017 0.000 1.122 411 I CA 0.848 62.095 61.300 -0.087 0.000 1.431 411 I CB -0.130 37.777 38.000 -0.156 0.000 1.087 411 I HN 0.223 nan 8.210 nan 0.000 0.424 412 L N -0.329 120.873 121.223 -0.035 0.000 2.612 412 L HA 0.085 4.421 4.340 -0.008 0.000 0.230 412 L C 1.737 178.769 176.870 0.269 0.000 1.140 412 L CA 0.191 55.050 54.840 0.032 0.000 0.896 412 L CB -0.158 41.877 42.059 -0.039 0.000 1.065 412 L HN 0.064 nan 8.230 nan 0.000 0.447 413 S N -0.777 115.046 115.700 0.205 0.000 2.511 413 S HA 0.283 4.749 4.470 -0.008 0.000 0.214 413 S C 0.024 174.437 174.600 -0.313 0.000 0.997 413 S CA 0.054 58.261 58.200 0.012 0.000 0.908 413 S CB 0.270 63.429 63.200 -0.069 0.000 0.803 413 S HN 0.111 nan 8.310 nan 0.000 0.504 414 F N 0.519 120.533 119.950 0.108 0.000 2.613 414 F HA 0.829 5.352 4.527 -0.007 0.000 0.314 414 F C -0.040 175.786 175.800 0.044 0.000 1.075 414 F CA -1.127 56.928 58.000 0.091 0.000 0.945 414 F CB 1.646 40.694 39.000 0.081 0.000 1.310 414 F HN -0.052 nan 8.300 nan 0.000 0.467 415 A N 0.976 123.929 122.820 0.223 0.000 2.522 415 A HA 0.658 4.973 4.320 -0.008 0.000 0.294 415 A C -1.183 176.459 177.584 0.096 0.000 1.001 415 A CA -1.206 50.899 52.037 0.113 0.000 0.642 415 A CB 1.234 20.264 19.000 0.050 0.000 1.326 415 A HN 0.559 nan 8.150 nan 0.000 0.435 416 R N 0.411 120.948 120.500 0.063 0.000 2.822 416 R HA 0.272 4.608 4.340 -0.008 0.000 0.277 416 R C 0.548 176.881 176.300 0.055 0.000 1.102 416 R CA -0.454 55.681 56.100 0.058 0.000 1.207 416 R CB 0.150 30.475 30.300 0.041 0.000 1.139 416 R HN 0.794 nan 8.270 nan 0.000 0.557 417 R N 0.223 120.756 120.500 0.054 0.000 2.347 417 R HA 0.138 4.474 4.340 -0.008 0.000 0.304 417 R C 0.223 176.556 176.300 0.054 0.000 1.072 417 R CA 1.038 57.172 56.100 0.056 0.000 0.980 417 R CB 0.125 30.456 30.300 0.051 0.000 0.986 417 R HN 0.842 nan 8.270 nan 0.000 0.448 418 G N 3.324 112.165 108.800 0.068 0.000 2.295 418 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.287 418 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.287 418 G C 0.358 175.291 174.900 0.054 0.000 1.055 418 G CA 0.756 45.900 45.100 0.074 0.000 0.922 418 G HN 0.792 nan 8.290 nan 0.000 0.503 419 T N -3.604 110.970 114.554 0.034 0.000 3.130 419 T HA 0.397 4.742 4.350 -0.008 0.000 0.288 419 T C 2.039 176.706 174.700 -0.054 0.000 0.936 419 T CA 0.523 62.624 62.100 0.001 0.000 0.897 419 T CB 0.107 68.977 68.868 0.003 0.000 1.178 419 T HN 0.118 nan 8.240 nan 0.000 0.543 420 I N 2.111 122.630 120.570 -0.084 0.000 2.052 420 I HA -0.189 3.976 4.170 -0.008 0.000 0.235 420 I C 2.736 178.610 176.117 -0.405 0.000 1.046 420 I CA 1.802 62.939 61.300 -0.271 0.000 1.308 420 I CB -1.510 36.247 38.000 -0.406 0.000 1.031 420 I HN 0.330 nan 8.210 nan 0.000 0.395 421 Q N 1.206 120.762 119.800 -0.406 0.000 2.156 421 Q HA -0.261 4.074 4.340 -0.008 0.000 0.211 421 Q C 2.013 177.941 176.000 -0.119 0.000 0.995 421 Q CA 2.251 57.923 55.803 -0.218 0.000 0.877 421 Q CB -0.252 28.556 28.738 0.118 0.000 0.920 421 Q HN 0.583 nan 8.270 nan 0.000 0.416 422 E N -0.186 119.966 120.200 -0.080 0.000 2.017 422 E HA -0.207 4.138 4.350 -0.008 0.000 0.193 422 E C 1.984 178.538 176.600 -0.077 0.000 0.997 422 E CA 1.322 57.691 56.400 -0.052 0.000 0.804 422 E CB -0.283 29.399 29.700 -0.031 0.000 0.757 422 E HN 0.359 nan 8.360 nan 0.000 0.448 423 K N 1.271 121.605 120.400 -0.109 0.000 2.063 423 K HA -0.185 4.131 4.320 -0.008 0.000 0.208 423 K C 2.212 178.725 176.600 -0.145 0.000 1.048 423 K CA 1.148 57.364 56.287 -0.119 0.000 0.928 423 K CB -0.194 32.227 32.500 -0.132 0.000 0.713 423 K HN 0.067 nan 8.250 nan 0.000 0.442 424 L N 0.818 121.903 121.223 -0.230 0.000 2.089 424 L HA -0.244 4.091 4.340 -0.008 0.000 0.213 424 L C 2.433 179.326 176.870 0.039 0.000 1.079 424 L CA 1.360 56.072 54.840 -0.213 0.000 0.758 424 L CB -0.477 41.376 42.059 -0.343 0.000 0.891 424 L HN 0.279 nan 8.230 nan 0.000 0.433 425 I N -1.398 119.168 120.570 -0.007 0.000 2.333 425 I HA -0.229 3.937 4.170 -0.008 0.000 0.246 425 I C 2.819 178.945 176.117 0.014 0.000 1.106 425 I CA 1.053 62.365 61.300 0.020 0.000 1.411 425 I CB -0.250 37.751 38.000 0.002 0.000 1.082 425 I HN 0.188 nan 8.210 nan 0.000 0.420 426 S N 0.822 116.514 115.700 -0.013 0.000 2.343 426 S HA -0.139 4.327 4.470 -0.008 0.000 0.219 426 S C 2.100 176.691 174.600 -0.015 0.000 1.033 426 S CA 1.480 59.664 58.200 -0.026 0.000 1.014 426 S CB -0.281 62.893 63.200 -0.044 0.000 0.915 426 S HN 0.210 nan 8.310 nan 0.000 0.435 427 V N 2.512 122.424 119.914 -0.003 0.000 2.568 427 V HA -0.139 3.976 4.120 -0.008 0.000 0.253 427 V C 2.760 178.963 176.094 0.182 0.000 1.072 427 V CA 1.540 63.853 62.300 0.022 0.000 1.084 427 V CB -1.438 30.351 31.823 -0.055 0.000 0.676 427 V HN 0.611 nan 8.190 nan 0.000 0.469 428 A N 0.764 123.748 122.820 0.272 0.000 1.978 428 A HA -0.105 4.210 4.320 -0.008 0.000 0.220 428 A C 2.231 179.852 177.584 0.063 0.000 1.170 428 A CA 1.764 53.965 52.037 0.273 0.000 0.636 428 A CB -0.877 18.162 19.000 0.065 0.000 0.810 428 A HN 0.575 nan 8.150 nan 0.000 0.448 429 G N -1.300 107.477 108.800 -0.039 0.000 3.124 429 G HA2 0.290 4.245 3.960 -0.008 0.000 0.212 429 G HA3 0.290 4.245 3.960 -0.008 0.000 0.212 429 G C 1.057 175.792 174.900 -0.275 0.000 1.181 429 G CA 0.458 45.460 45.100 -0.163 0.000 0.803 429 G HN 0.438 nan 8.290 nan 0.000 0.529 430 L N -0.931 120.182 121.223 -0.183 0.000 2.653 430 L HA 0.288 4.624 4.340 -0.008 0.000 0.230 430 L C 2.751 179.513 176.870 -0.180 0.000 1.055 430 L CA 0.684 55.383 54.840 -0.236 0.000 0.880 430 L CB 0.125 42.101 42.059 -0.138 0.000 1.195 430 L HN 0.157 nan 8.230 nan 0.000 0.492 431 A N -0.182 122.653 122.820 0.025 0.000 2.123 431 A HA -0.045 4.271 4.320 -0.008 0.000 0.214 431 A C 2.200 179.861 177.584 0.127 0.000 1.152 431 A CA 0.842 52.989 52.037 0.184 0.000 0.728 431 A CB -0.397 18.931 19.000 0.548 0.000 0.814 431 A HN 0.136 nan 8.150 nan 0.000 0.464 432 V N 0.194 120.024 119.914 -0.140 0.000 2.453 432 V HA -0.309 3.806 4.120 -0.008 0.000 0.252 432 V C 1.898 178.033 176.094 0.069 0.000 1.068 432 V CA 2.594 64.766 62.300 -0.213 0.000 1.070 432 V CB -0.967 30.586 31.823 -0.450 0.000 0.664 432 V HN 0.803 nan 8.190 nan 0.000 0.461 433 H N -1.059 117.943 119.070 -0.114 0.000 2.547 433 H HA 0.133 4.684 4.556 -0.008 0.000 0.266 433 H C 1.875 177.174 175.328 -0.048 0.000 0.988 433 H CA 0.476 56.436 56.048 -0.147 0.000 1.147 433 H CB 0.197 29.811 29.762 -0.247 0.000 1.365 433 H HN 0.431 nan 8.280 nan 0.000 0.589 434 S N 0.443 116.203 115.700 0.101 0.000 2.634 434 S HA 0.219 4.685 4.470 -0.008 0.000 0.221 434 S C 0.835 175.457 174.600 0.036 0.000 0.952 434 S CA 0.298 58.536 58.200 0.065 0.000 0.930 434 S CB 0.354 63.590 63.200 0.061 0.000 0.780 434 S HN 0.760 nan 8.310 nan 0.000 0.498 435 G N 2.077 110.888 108.800 0.019 0.000 2.733 435 G HA2 -0.143 3.813 3.960 -0.008 0.000 0.686 435 G HA3 -0.143 3.813 3.960 -0.008 0.000 0.686 435 G C -2.372 172.303 174.900 -0.374 0.000 1.373 435 G CA -0.887 44.133 45.100 -0.133 0.000 0.838 435 G HN 0.130 nan 8.290 nan 0.000 0.588 436 P HA -0.076 nan 4.420 nan 0.000 0.214 436 P C 1.501 178.631 177.300 -0.283 0.000 1.163 436 P CA 1.766 64.350 63.100 -0.860 0.000 0.889 436 P CB 0.063 31.340 31.700 -0.705 0.000 0.790 437 D N -0.468 119.825 120.400 -0.179 0.000 2.103 437 D HA -0.189 4.447 4.640 -0.008 0.000 0.190 437 D C 1.862 178.156 176.300 -0.011 0.000 0.997 437 D CA 1.180 55.138 54.000 -0.070 0.000 0.833 437 D CB -0.578 40.189 40.800 -0.055 0.000 0.961 437 D HN 0.206 nan 8.370 nan 0.000 0.447 438 E N 0.175 120.374 120.200 -0.001 0.000 2.110 438 E HA -0.170 4.175 4.350 -0.008 0.000 0.193 438 E C 2.091 178.764 176.600 0.123 0.000 0.988 438 E CA 0.421 56.848 56.400 0.046 0.000 0.804 438 E CB -0.506 29.214 29.700 0.033 0.000 0.745 438 E HN 0.436 nan 8.360 nan 0.000 0.458 439 Y N 1.764 122.062 120.300 -0.003 0.000 2.256 439 Y HA -0.204 4.341 4.550 -0.008 0.000 0.288 439 Y C 2.465 178.455 175.900 0.150 0.000 1.155 439 Y CA 1.824 59.970 58.100 0.077 0.000 1.203 439 Y CB -0.043 38.409 38.460 -0.013 0.000 0.980 439 Y HN -0.081 nan 8.280 nan 0.000 0.530 440 R N 0.007 120.535 120.500 0.047 0.000 2.062 440 R HA -0.110 4.226 4.340 -0.008 0.000 0.226 440 R C 2.590 178.942 176.300 0.088 0.000 1.125 440 R CA 1.260 57.370 56.100 0.017 0.000 0.966 440 R CB -0.334 29.985 30.300 0.032 0.000 0.861 440 R HN 0.281 nan 8.270 nan 0.000 0.433 441 R N 0.642 121.204 120.500 0.103 0.000 2.073 441 R HA -0.111 4.225 4.340 -0.008 0.000 0.234 441 R C 2.338 178.785 176.300 0.245 0.000 1.134 441 R CA 1.711 57.900 56.100 0.147 0.000 0.952 441 R CB -0.410 29.964 30.300 0.124 0.000 0.850 441 R HN 0.267 nan 8.270 nan 0.000 0.433 442 L N -0.366 120.979 121.223 0.203 0.000 2.081 442 L HA -0.177 4.158 4.340 -0.008 0.000 0.212 442 L C 1.522 178.490 176.870 0.163 0.000 1.080 442 L CA 1.256 56.194 54.840 0.162 0.000 0.754 442 L CB -0.251 41.824 42.059 0.025 0.000 0.893 442 L HN 0.193 nan 8.230 nan 0.000 0.433 443 F N -0.865 119.115 119.950 0.049 0.000 2.641 443 F HA 0.062 4.585 4.527 -0.007 0.000 0.302 443 F C 2.042 177.955 175.800 0.187 0.000 1.098 443 F CA -0.126 57.927 58.000 0.088 0.000 1.318 443 F CB -0.090 38.767 39.000 -0.237 0.000 1.035 443 F HN -0.033 nan 8.300 nan 0.000 0.551 444 E N 1.958 122.321 120.200 0.271 0.000 2.051 444 E HA -0.127 4.218 4.350 -0.008 0.000 0.192 444 E C -0.734 175.912 176.600 0.076 0.000 0.991 444 E CA 1.498 57.986 56.400 0.146 0.000 0.799 444 E CB -1.214 28.538 29.700 0.086 0.000 0.748 444 E HN 0.140 nan 8.360 nan 0.000 0.449 445 P HA -0.076 nan 4.420 nan 0.000 0.225 445 P C 0.091 177.161 177.300 -0.383 0.000 1.148 445 P CA 1.002 63.906 63.100 -0.327 0.000 0.779 445 P CB -0.044 31.272 31.700 -0.641 0.000 0.780 446 F N -2.147 117.839 119.950 0.060 0.000 2.653 446 F HA 0.192 4.715 4.527 -0.008 0.000 0.304 446 F C 1.040 176.949 175.800 0.182 0.000 1.092 446 F CA -0.296 57.811 58.000 0.178 0.000 1.279 446 F CB -0.379 38.739 39.000 0.197 0.000 1.044 446 F HN -0.257 nan 8.300 nan 0.000 0.564 447 Q N 0.990 120.935 119.800 0.242 0.000 2.286 447 Q HA 0.383 4.718 4.340 -0.008 0.000 0.267 447 Q C 1.280 177.333 176.000 0.088 0.000 1.028 447 Q CA 0.838 56.737 55.803 0.161 0.000 0.901 447 Q CB 0.891 29.695 28.738 0.110 0.000 1.183 447 Q HN 0.605 nan 8.270 nan 0.000 0.392 448 G N 2.259 111.103 108.800 0.074 0.000 2.195 448 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.224 448 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.224 448 G C 0.262 175.136 174.900 -0.042 0.000 0.990 448 G CA 0.098 45.206 45.100 0.013 0.000 0.639 448 G HN 0.485 nan 8.290 nan 0.000 0.514 449 L N -1.095 120.094 121.223 -0.056 0.000 2.993 449 L HA 0.675 5.010 4.340 -0.008 0.000 0.264 449 L C 0.086 176.585 176.870 -0.618 0.000 1.154 449 L CA 0.378 55.027 54.840 -0.318 0.000 0.972 449 L CB 0.297 42.149 42.059 -0.345 0.000 1.373 449 L HN 0.163 nan 8.230 nan 0.000 0.564 450 F N -1.150 118.865 119.950 0.107 0.000 2.685 450 F HA 0.364 4.887 4.527 -0.008 0.000 0.315 450 F C 0.106 175.960 175.800 0.090 0.000 1.126 450 F CA -1.365 56.699 58.000 0.106 0.000 0.950 450 F CB 1.375 40.465 39.000 0.150 0.000 1.360 450 F HN -0.273 nan 8.300 nan 0.000 0.469 451 E N 2.373 122.757 120.200 0.306 0.000 2.044 451 E HA 0.438 4.784 4.350 -0.008 0.000 0.282 451 E C -1.260 175.430 176.600 0.151 0.000 1.031 451 E CA -0.061 56.444 56.400 0.175 0.000 0.824 451 E CB 0.339 30.116 29.700 0.128 0.000 1.076 451 E HN 0.479 nan 8.360 nan 0.000 0.395 452 I N 7.547 128.192 120.570 0.126 0.000 2.330 452 I HA 0.278 4.443 4.170 -0.008 0.000 0.289 452 I C -1.741 174.390 176.117 0.023 0.000 1.001 452 I CA -2.250 59.087 61.300 0.062 0.000 1.193 452 I CB 1.250 39.287 38.000 0.062 0.000 1.345 452 I HN 0.467 nan 8.210 nan 0.000 0.461 453 P HA 0.046 nan 4.420 nan 0.000 0.268 453 P C -0.211 177.141 177.300 0.088 0.000 1.205 453 P CA -0.233 62.887 63.100 0.034 0.000 0.771 453 P CB 0.644 32.350 31.700 0.010 0.000 0.858 454 S N 1.988 117.734 115.700 0.076 0.000 2.560 454 S HA -0.065 4.400 4.470 -0.008 0.000 0.284 454 S C 1.145 175.794 174.600 0.081 0.000 1.327 454 S CA -0.478 57.793 58.200 0.119 0.000 1.055 454 S CB 0.092 63.337 63.200 0.076 0.000 0.868 454 S HN 0.537 nan 8.310 nan 0.000 0.506 455 Y N 3.281 123.598 120.300 0.028 0.000 2.241 455 Y HA -0.231 4.314 4.550 -0.008 0.000 0.286 455 Y C 2.510 178.302 175.900 -0.179 0.000 1.166 455 Y CA 2.158 60.073 58.100 -0.307 0.000 1.203 455 Y CB -0.209 38.151 38.460 -0.168 0.000 0.977 455 Y HN 0.815 nan 8.280 nan 0.000 0.529 456 R N -0.062 120.344 120.500 -0.157 0.000 2.093 456 R HA -0.095 4.240 4.340 -0.008 0.000 0.224 456 R C 2.556 178.808 176.300 -0.081 0.000 1.101 456 R CA 1.290 57.309 56.100 -0.136 0.000 0.979 456 R CB -0.386 29.926 30.300 0.020 0.000 0.877 456 R HN 0.507 nan 8.270 nan 0.000 0.441 457 S N 0.476 116.140 115.700 -0.060 0.000 2.383 457 S HA -0.144 4.322 4.470 -0.008 0.000 0.229 457 S C 1.949 176.509 174.600 -0.068 0.000 1.030 457 S CA 1.102 59.279 58.200 -0.038 0.000 1.002 457 S CB -0.379 62.809 63.200 -0.019 0.000 0.829 457 S HN 0.346 nan 8.310 nan 0.000 0.467 458 L N -1.063 120.074 121.223 -0.143 0.000 2.209 458 L HA 0.117 4.452 4.340 -0.008 0.000 0.207 458 L C 2.579 179.380 176.870 -0.114 0.000 1.094 458 L CA 1.029 55.775 54.840 -0.156 0.000 0.790 458 L CB -0.555 41.348 42.059 -0.261 0.000 0.932 458 L HN 0.263 nan 8.230 nan 0.000 0.447 459 Y N 1.287 121.377 120.300 -0.351 0.000 2.089 459 Y HA -0.259 4.287 4.550 -0.008 0.000 0.282 459 Y C 2.369 178.290 175.900 0.035 0.000 1.139 459 Y CA 1.592 59.548 58.100 -0.239 0.000 1.123 459 Y CB -0.369 37.807 38.460 -0.473 0.000 0.980 459 Y HN -0.040 nan 8.280 nan 0.000 0.493 460 L N 0.027 121.241 121.223 -0.016 0.000 2.043 460 L HA -0.304 4.032 4.340 -0.008 0.000 0.212 460 L C 2.725 179.548 176.870 -0.078 0.000 1.075 460 L CA 2.003 56.806 54.840 -0.062 0.000 0.752 460 L CB -0.726 41.337 42.059 0.007 0.000 0.891 460 L HN 0.197 nan 8.230 nan 0.000 0.432 461 R N -0.389 120.089 120.500 -0.038 0.000 2.103 461 R HA -0.263 4.072 4.340 -0.008 0.000 0.242 461 R C 2.270 178.560 176.300 -0.018 0.000 1.142 461 R CA 2.228 58.310 56.100 -0.030 0.000 0.960 461 R CB -0.494 29.796 30.300 -0.017 0.000 0.858 461 R HN 0.448 nan 8.270 nan 0.000 0.439 462 W N 0.624 121.815 121.300 -0.181 0.000 2.354 462 W HA -0.175 4.480 4.660 -0.008 0.000 0.315 462 W C 1.800 178.202 176.519 -0.194 0.000 1.206 462 W CA 1.507 58.757 57.345 -0.159 0.000 1.290 462 W CB -0.609 28.780 29.460 -0.119 0.000 1.152 462 W HN -0.124 nan 8.180 nan 0.000 0.489 463 V N 1.599 121.269 119.914 -0.407 0.000 2.282 463 V HA -0.389 3.726 4.120 -0.008 0.000 0.249 463 V C 2.115 177.942 176.094 -0.446 0.000 1.057 463 V CA 2.460 64.406 62.300 -0.591 0.000 1.032 463 V CB -1.490 30.117 31.823 -0.360 0.000 0.645 463 V HN 0.389 nan 8.190 nan 0.000 0.447 464 N N -0.000 118.530 118.700 -0.283 0.000 2.520 464 N HA -0.056 4.679 4.740 -0.008 0.000 0.185 464 N C 1.412 176.780 175.510 -0.238 0.000 1.068 464 N CA 1.167 54.090 53.050 -0.210 0.000 0.911 464 N CB -0.046 38.363 38.487 -0.129 0.000 0.961 464 N HN 0.489 nan 8.380 nan 0.000 0.446 465 A N -0.350 122.278 122.820 -0.320 0.000 1.887 465 A HA 0.060 4.375 4.320 -0.008 0.000 0.210 465 A C 2.232 179.581 177.584 -0.392 0.000 1.221 465 A CA 1.008 52.869 52.037 -0.293 0.000 0.635 465 A CB -0.896 17.967 19.000 -0.229 0.000 0.881 465 A HN 0.233 nan 8.150 nan 0.000 0.456 466 V N -3.683 115.842 119.914 -0.649 0.000 2.594 466 V HA -0.049 4.067 4.120 -0.008 0.000 0.253 466 V C 1.048 176.770 176.094 -0.621 0.000 1.069 466 V CA 0.969 62.838 62.300 -0.718 0.000 1.082 466 V CB -1.433 29.700 31.823 -1.150 0.000 0.680 466 V HN 0.832 nan 8.190 nan 0.000 0.469 467 C N 0.282 119.287 119.300 -0.492 0.000 3.096 467 C HA 0.614 5.069 4.460 -0.008 0.000 0.391 467 C C 1.660 176.522 174.990 -0.213 0.000 1.085 467 C CA -0.310 58.518 59.018 -0.317 0.000 1.289 467 C CB 0.246 27.811 27.740 -0.292 0.000 1.685 467 C HN 0.653 nan 8.230 nan 0.000 0.515 468 G N 2.298 110.996 108.800 -0.170 0.000 2.475 468 G HA2 -0.188 3.767 3.960 -0.008 0.000 0.220 468 G HA3 -0.188 3.767 3.960 -0.008 0.000 0.220 468 G C 1.037 175.877 174.900 -0.100 0.000 1.125 468 G CA 1.601 46.625 45.100 -0.127 0.000 0.755 468 G HN 0.848 nan 8.290 nan 0.000 0.565 469 D N 0.581 120.930 120.400 -0.086 0.000 2.323 469 D HA 0.118 4.754 4.640 -0.008 0.000 0.209 469 D C 2.687 178.948 176.300 -0.065 0.000 0.973 469 D CA 0.735 54.694 54.000 -0.067 0.000 0.874 469 D CB 0.054 40.826 40.800 -0.047 0.000 0.930 469 D HN 0.346 nan 8.370 nan 0.000 0.521 470 A N 1.349 124.136 122.820 -0.054 0.000 1.898 470 A HA -0.007 4.309 4.320 -0.008 0.000 0.216 470 A C 2.289 179.824 177.584 -0.083 0.000 1.181 470 A CA 1.793 53.822 52.037 -0.014 0.000 0.620 470 A CB -0.379 18.683 19.000 0.103 0.000 0.819 470 A HN 0.227 nan 8.150 nan 0.000 0.442 471 A N -0.774 121.974 122.820 -0.121 0.000 2.072 471 A HA 0.426 4.741 4.320 -0.008 0.000 0.216 471 A C 2.316 179.772 177.584 -0.213 0.000 1.156 471 A CA 1.414 53.351 52.037 -0.167 0.000 0.701 471 A CB -0.606 18.307 19.000 -0.145 0.000 0.816 471 A HN 0.825 nan 8.150 nan 0.000 0.458 472 A N 0.105 122.843 122.820 -0.137 0.000 1.854 472 A HA 0.095 4.411 4.320 -0.008 0.000 0.214 472 A C 1.836 179.316 177.584 -0.172 0.000 1.192 472 A CA 1.172 53.153 52.037 -0.093 0.000 0.611 472 A CB -0.567 18.390 19.000 -0.071 0.000 0.832 472 A HN 0.415 nan 8.150 nan 0.000 0.442 473 L N -0.054 121.063 121.223 -0.177 0.000 2.622 473 L HA 0.016 4.351 4.340 -0.008 0.000 0.233 473 L C 2.596 179.373 176.870 -0.156 0.000 1.156 473 L CA 0.668 55.395 54.840 -0.190 0.000 0.866 473 L CB -0.687 41.318 42.059 -0.090 0.000 0.980 473 L HN 0.627 nan 8.230 nan 0.000 0.448 474 E N -0.935 119.121 120.200 -0.241 0.000 2.482 474 E HA -0.156 4.190 4.350 -0.008 0.000 0.196 474 E C 1.692 178.146 176.600 -0.244 0.000 1.047 474 E CA 0.656 56.911 56.400 -0.241 0.000 0.869 474 E CB -0.598 28.924 29.700 -0.297 0.000 0.836 474 E HN 0.568 nan 8.360 nan 0.000 0.520 475 H N -1.053 117.996 119.070 -0.035 0.000 2.547 475 H HA 0.200 4.752 4.556 -0.008 0.000 0.272 475 H C 0.447 175.885 175.328 0.185 0.000 0.971 475 H CA 0.283 56.354 56.048 0.039 0.000 1.245 475 H CB 0.276 30.043 29.762 0.008 0.000 1.440 475 H HN 0.614 nan 8.280 nan 0.000 0.540 476 H N 0.000 119.127 119.070 0.094 0.000 2.539 476 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 476 H CA 0.000 56.081 56.048 0.056 0.000 1.023 476 H CB 0.000 29.788 29.762 0.043 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496