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 1vjo_1_A DATA FIRST_RESID 5 DATA SEQUENCE ISINDNQRLQ LEPLEVPSRL LLGPGPSNAH PSVLQAXNVS PVGHLDPAFL DATA SEQUENCE ALXDEIQSLL RYVWQTENPL TIAVSGTGTA AXEATIANAV EPGDVVLIGV DATA SEQUENCE AGYFGNRLVD XAGRYGADVR TISKPWGEVF SLEELRTALE THRPAILALV DATA SEQUENCE HAETSTGARQ PLEGVGELCR EFGTLLLVDT VTSLGGVPIF LDAWGVDLAY DATA SEQUENCE SCSQKGLGCS PGASPFTXSS RAIEKLQRRR TKVANWYLDX NLLGKYWGSE DATA SEQUENCE RVYHHTAPIN LYYALREALR LIAQEGLANC WQRHQKNVEY LWERLEDIGL DATA SEQUENCE SLHVEKEYRL PTLTTVCIPD GVDGKAVARR LLNEHNIEVG GGLGELAGKV DATA SEQUENCE WRVGLXGFNS RKESVDQLIP ALEQVLR 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.114 176.117 -0.005 0.000 1.063 5 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 5 I CB 0.000 37.997 38.000 -0.006 0.000 1.214 6 S N 5.939 121.637 115.700 -0.004 0.000 2.610 6 S HA 0.705 5.175 4.470 -0.001 0.000 0.273 6 S C -0.108 174.490 174.600 -0.004 0.000 1.274 6 S CA -0.727 57.470 58.200 -0.004 0.000 1.023 6 S CB 1.453 64.651 63.200 -0.003 0.000 0.962 6 S HN 0.444 nan 8.310 nan 0.000 0.523 7 I N 2.670 123.238 120.570 -0.004 0.000 2.533 7 I HA 0.102 4.271 4.170 -0.001 0.000 0.284 7 I C 0.531 176.646 176.117 -0.004 0.000 1.109 7 I CA -0.255 61.043 61.300 -0.004 0.000 1.412 7 I CB 0.211 38.208 38.000 -0.004 0.000 1.396 7 I HN 0.655 nan 8.210 nan 0.000 0.543 8 N N 5.562 124.260 118.700 -0.004 0.000 2.408 8 N HA 0.048 4.787 4.740 -0.001 0.000 0.257 8 N C -0.110 175.399 175.510 -0.003 0.000 1.064 8 N CA -0.508 52.541 53.050 -0.003 0.000 0.952 8 N CB 0.701 39.186 38.487 -0.003 0.000 1.093 8 N HN 0.474 nan 8.380 nan 0.000 0.490 9 D N 1.542 121.941 120.400 -0.002 0.000 2.388 9 D HA 0.096 4.735 4.640 -0.001 0.000 0.221 9 D C 0.328 176.627 176.300 -0.001 0.000 1.133 9 D CA -0.127 53.872 54.000 -0.002 0.000 0.831 9 D CB -0.127 40.672 40.800 -0.001 0.000 0.962 9 D HN 0.260 nan 8.370 nan 0.000 0.502 10 N N 0.961 119.661 118.700 -0.001 0.000 2.223 10 N HA -0.123 4.616 4.740 -0.001 0.000 0.185 10 N C 1.078 176.588 175.510 -0.000 0.000 1.016 10 N CA 0.983 54.033 53.050 -0.001 0.000 0.863 10 N CB -0.047 38.440 38.487 -0.001 0.000 0.983 10 N HN 0.451 nan 8.380 nan 0.000 0.429 11 Q N -0.177 119.623 119.800 -0.000 0.000 2.188 11 Q HA 0.128 4.467 4.340 -0.001 0.000 0.212 11 Q C -0.004 175.996 176.000 0.000 0.000 0.846 11 Q CA -0.184 55.620 55.803 0.000 0.000 0.989 11 Q CB 0.628 29.366 28.738 -0.000 0.000 1.114 11 Q HN 0.206 nan 8.270 nan 0.000 0.488 12 R N 2.078 122.578 120.500 -0.000 0.000 2.853 12 R HA 0.140 4.479 4.340 -0.001 0.000 0.238 12 R C -0.472 175.829 176.300 0.001 0.000 1.538 12 R CA -0.062 56.038 56.100 0.000 0.000 1.166 12 R CB -0.475 29.825 30.300 -0.000 0.000 1.201 12 R HN 0.153 nan 8.270 nan 0.000 0.606 13 L N 3.263 124.487 121.223 0.002 0.000 2.456 13 L HA 0.042 4.381 4.340 -0.001 0.000 0.272 13 L C 0.423 177.295 176.870 0.003 0.000 1.189 13 L CA 0.267 55.108 54.840 0.003 0.000 0.846 13 L CB 0.626 42.687 42.059 0.004 0.000 1.111 13 L HN 0.434 nan 8.230 nan 0.000 0.475 14 Q N 3.992 123.794 119.800 0.003 0.000 2.465 14 Q HA 0.501 4.840 4.340 -0.001 0.000 0.237 14 Q C -0.962 175.040 176.000 0.004 0.000 1.051 14 Q CA -0.119 55.686 55.803 0.003 0.000 0.874 14 Q CB 1.214 29.954 28.738 0.003 0.000 1.207 14 Q HN 0.483 nan 8.270 nan 0.000 0.508 15 L N 1.151 122.377 121.223 0.004 0.000 2.334 15 L HA 0.486 4.826 4.340 -0.001 0.000 0.270 15 L C 0.417 177.290 176.870 0.006 0.000 1.018 15 L CA -1.027 53.817 54.840 0.005 0.000 0.811 15 L CB 1.379 43.442 42.059 0.006 0.000 1.271 15 L HN 0.422 nan 8.230 nan 0.000 0.443 16 E N 0.929 121.133 120.200 0.006 0.000 2.250 16 E HA 0.405 4.754 4.350 -0.001 0.000 0.265 16 E C -2.192 174.413 176.600 0.008 0.000 1.033 16 E CA -1.775 54.629 56.400 0.007 0.000 0.888 16 E CB 0.545 30.248 29.700 0.006 0.000 1.151 16 E HN 0.327 nan 8.360 nan 0.000 0.412 17 P HA -0.023 nan 4.420 nan 0.000 0.265 17 P C -0.207 177.099 177.300 0.011 0.000 1.187 17 P CA -0.407 62.698 63.100 0.009 0.000 0.766 17 P CB 0.231 31.936 31.700 0.009 0.000 0.820 18 L N 3.298 124.528 121.223 0.012 0.000 2.720 18 L HA -0.088 4.251 4.340 -0.001 0.000 0.289 18 L C 0.081 176.959 176.870 0.014 0.000 1.232 18 L CA 1.321 56.170 54.840 0.014 0.000 0.915 18 L CB -0.429 41.640 42.059 0.016 0.000 1.184 18 L HN 0.329 nan 8.230 nan 0.000 0.491 19 E N 4.935 125.143 120.200 0.014 0.000 2.263 19 E HA 0.567 4.916 4.350 -0.001 0.000 0.268 19 E C -1.182 175.427 176.600 0.016 0.000 0.884 19 E CA -0.474 55.934 56.400 0.014 0.000 0.766 19 E CB 2.024 31.731 29.700 0.012 0.000 1.196 19 E HN 0.449 nan 8.360 nan 0.000 0.416 20 V N 0.005 119.930 119.914 0.017 0.000 2.914 20 V HA 0.696 4.816 4.120 -0.001 0.000 0.314 20 V C -2.238 173.868 176.094 0.019 0.000 1.084 20 V CA -1.941 60.371 62.300 0.019 0.000 0.963 20 V CB 1.315 33.152 31.823 0.023 0.000 1.025 20 V HN 0.473 nan 8.190 nan 0.000 0.432 21 P HA 0.334 nan 4.420 nan 0.000 0.272 21 P C -0.168 177.147 177.300 0.024 0.000 1.223 21 P CA -0.000 63.111 63.100 0.020 0.000 0.784 21 P CB 0.753 32.464 31.700 0.019 0.000 0.923 22 S N 1.935 117.649 115.700 0.024 0.000 2.545 22 S HA 0.406 4.875 4.470 -0.001 0.000 0.275 22 S C 0.156 174.777 174.600 0.034 0.000 1.299 22 S CA -0.623 57.595 58.200 0.030 0.000 1.048 22 S CB 0.449 63.666 63.200 0.029 0.000 0.938 22 S HN 0.310 nan 8.310 nan 0.000 0.496 23 R N 1.736 122.261 120.500 0.041 0.000 2.574 23 R HA 0.334 4.673 4.340 -0.001 0.000 0.288 23 R C -1.503 174.828 176.300 0.051 0.000 1.004 23 R CA -0.857 55.269 56.100 0.043 0.000 0.895 23 R CB 1.602 31.929 30.300 0.044 0.000 1.191 23 R HN 0.475 nan 8.270 nan 0.000 0.444 24 L N 4.258 125.509 121.223 0.046 0.000 2.283 24 L HA 0.327 4.666 4.340 -0.001 0.000 0.287 24 L C -0.589 176.308 176.870 0.045 0.000 1.073 24 L CA 0.015 54.883 54.840 0.046 0.000 0.822 24 L CB 0.413 42.489 42.059 0.030 0.000 1.186 24 L HN 0.514 nan 8.230 nan 0.000 0.436 25 L N 7.298 128.557 121.223 0.059 0.000 2.328 25 L HA 0.253 4.592 4.340 -0.001 0.000 0.280 25 L C 0.234 177.138 176.870 0.057 0.000 1.111 25 L CA 0.032 54.908 54.840 0.060 0.000 0.909 25 L CB 0.096 42.198 42.059 0.071 0.000 1.277 25 L HN 0.641 nan 8.230 nan 0.000 0.433 26 L N 2.721 123.971 121.223 0.044 0.000 3.062 26 L HA 0.359 4.698 4.340 -0.001 0.000 0.255 26 L C 1.036 177.938 176.870 0.053 0.000 1.274 26 L CA -0.263 54.601 54.840 0.042 0.000 1.047 26 L CB 0.314 42.385 42.059 0.019 0.000 1.402 26 L HN 0.595 nan 8.230 nan 0.000 0.550 27 G N 0.257 109.095 108.800 0.062 0.000 2.671 27 G HA2 0.329 4.288 3.960 -0.001 0.000 0.275 27 G HA3 0.329 4.288 3.960 -0.001 0.000 0.275 27 G C -1.643 173.305 174.900 0.080 0.000 1.368 27 G CA -0.636 44.508 45.100 0.074 0.000 1.044 27 G HN -0.046 nan 8.290 nan 0.000 0.543 28 P HA 0.102 nan 4.420 nan 0.000 0.223 28 P C 0.698 178.040 177.300 0.069 0.000 1.144 28 P CA 1.621 64.770 63.100 0.082 0.000 0.783 28 P CB 0.219 31.975 31.700 0.093 0.000 0.771 29 G N -0.083 108.759 108.800 0.070 0.000 2.337 29 G HA2 0.244 4.203 3.960 -0.001 0.000 0.310 29 G HA3 0.244 4.203 3.960 -0.001 0.000 0.310 29 G C -3.357 171.585 174.900 0.070 0.000 1.534 29 G CA -0.836 44.304 45.100 0.067 0.000 0.982 29 G HN -0.101 nan 8.290 nan 0.000 0.672 30 P HA 0.599 nan 4.420 nan 0.000 0.276 30 P C 0.070 177.417 177.300 0.078 0.000 1.261 30 P CA -0.290 62.853 63.100 0.072 0.000 0.800 30 P CB 1.774 33.516 31.700 0.071 0.000 1.066 31 S N -0.343 115.409 115.700 0.087 0.000 2.693 31 S HA 0.270 4.739 4.470 -0.001 0.000 0.276 31 S C -0.018 174.651 174.600 0.116 0.000 1.192 31 S CA -0.659 57.604 58.200 0.106 0.000 0.994 31 S CB -0.257 63.017 63.200 0.123 0.000 1.012 31 S HN 0.377 nan 8.310 nan 0.000 0.550 32 N N 1.648 120.438 118.700 0.150 0.000 2.452 32 N HA 0.411 5.150 4.740 -0.001 0.000 0.266 32 N C -0.242 175.356 175.510 0.146 0.000 1.175 32 N CA 0.005 53.151 53.050 0.160 0.000 0.945 32 N CB 0.789 39.414 38.487 0.229 0.000 1.063 32 N HN 0.696 nan 8.380 nan 0.000 0.472 33 A N 2.135 124.977 122.820 0.035 0.000 2.425 33 A HA 0.028 4.347 4.320 -0.001 0.000 0.242 33 A C 0.171 177.584 177.584 -0.285 0.000 1.077 33 A CA -0.301 51.721 52.037 -0.025 0.000 0.781 33 A CB 0.120 19.115 19.000 -0.007 0.000 1.020 33 A HN 0.758 nan 8.150 nan 0.000 0.494 34 H N 2.299 121.098 119.070 -0.452 0.000 2.848 34 H HA 0.087 4.642 4.556 -0.002 0.000 0.341 34 H C -1.693 173.312 175.328 -0.539 0.000 1.060 34 H CA -1.283 54.241 56.048 -0.875 0.000 1.444 34 H CB 0.966 30.511 29.762 -0.361 0.000 1.446 34 H HN 0.280 nan 8.280 nan 0.000 0.583 35 P HA -0.175 nan 4.420 nan 0.000 0.218 35 P C 1.386 178.714 177.300 0.045 0.000 1.152 35 P CA 1.825 64.804 63.100 -0.201 0.000 0.857 35 P CB 0.245 31.799 31.700 -0.242 0.000 0.787 36 S N -1.271 114.607 115.700 0.298 0.000 2.428 36 S HA -0.066 4.403 4.470 -0.001 0.000 0.230 36 S C 1.950 176.580 174.600 0.051 0.000 1.014 36 S CA 0.866 59.145 58.200 0.132 0.000 0.957 36 S CB -0.955 62.286 63.200 0.067 0.000 0.784 36 S HN -0.004 nan 8.310 nan 0.000 0.499 37 V N 2.091 122.036 119.914 0.051 0.000 2.379 37 V HA -0.083 4.036 4.120 -0.001 0.000 0.245 37 V C 2.139 178.261 176.094 0.047 0.000 1.044 37 V CA 1.317 63.633 62.300 0.027 0.000 1.036 37 V CB -0.687 31.146 31.823 0.015 0.000 0.664 37 V HN 0.418 nan 8.190 nan 0.000 0.453 38 L N -0.365 120.874 121.223 0.028 0.000 2.046 38 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 38 L C 2.647 179.543 176.870 0.044 0.000 1.077 38 L CA 1.645 56.503 54.840 0.030 0.000 0.747 38 L CB -0.590 41.469 42.059 -0.002 0.000 0.896 38 L HN 0.341 nan 8.230 nan 0.000 0.432 39 Q N 0.680 120.502 119.800 0.037 0.000 2.124 39 Q HA -0.041 4.298 4.340 -0.001 0.000 0.202 39 Q C 1.136 177.168 176.000 0.053 0.000 0.977 39 Q CA 1.211 57.037 55.803 0.038 0.000 0.850 39 Q CB -0.170 28.584 28.738 0.027 0.000 0.901 39 Q HN 0.484 nan 8.270 nan 0.000 0.429 43 V N 0.204 120.213 119.914 0.160 0.000 2.760 43 V HA 0.540 4.659 4.120 -0.001 0.000 0.309 43 V C 0.355 176.592 176.094 0.239 0.000 1.077 43 V CA -0.863 61.520 62.300 0.139 0.000 0.910 43 V CB 1.855 33.694 31.823 0.027 0.000 1.008 43 V HN 0.327 nan 8.190 nan 0.000 0.424 44 S N 5.299 121.093 115.700 0.157 0.000 2.560 44 S HA 0.277 4.747 4.470 -0.001 0.000 0.284 44 S C -1.995 172.755 174.600 0.250 0.000 1.327 44 S CA -0.602 57.688 58.200 0.149 0.000 1.055 44 S CB 0.618 63.869 63.200 0.084 0.000 0.868 44 S HN 0.659 nan 8.310 nan 0.000 0.506 45 P HA 0.247 nan 4.420 nan 0.000 0.274 45 P C -0.491 176.863 177.300 0.091 0.000 1.237 45 P CA -0.440 62.709 63.100 0.082 0.000 0.793 45 P CB 0.595 32.255 31.700 -0.068 0.000 0.977 46 V N -1.772 118.183 119.914 0.069 0.000 3.158 46 V HA 0.862 4.981 4.120 -0.001 0.000 0.315 46 V C 0.440 176.460 176.094 -0.124 0.000 1.148 46 V CA -0.946 61.369 62.300 0.025 0.000 1.042 46 V CB 0.877 32.776 31.823 0.126 0.000 1.101 46 V HN 0.669 nan 8.190 nan 0.000 0.448 47 G N 0.158 108.896 108.800 -0.103 0.000 2.544 47 G HA2 0.268 4.227 3.960 -0.001 0.000 0.242 47 G HA3 0.268 4.227 3.960 -0.001 0.000 0.242 47 G C 0.713 175.443 174.900 -0.282 0.000 1.247 47 G CA 0.426 45.427 45.100 -0.164 0.000 0.840 47 G HN 1.275 nan 8.290 nan 0.000 0.578 48 H N 0.803 119.669 119.070 -0.341 0.000 2.521 48 H HA 0.010 4.565 4.556 -0.001 0.000 0.286 48 H C 1.295 176.714 175.328 0.152 0.000 1.034 48 H CA 0.748 56.611 56.048 -0.308 0.000 1.278 48 H CB 0.025 29.647 29.762 -0.232 0.000 1.386 48 H HN 0.343 nan 8.280 nan 0.000 0.567 49 L N 1.065 122.098 121.223 -0.316 0.000 2.959 49 L HA 0.149 4.488 4.340 -0.001 0.000 0.259 49 L C 0.385 177.240 176.870 -0.025 0.000 1.185 49 L CA -0.280 54.515 54.840 -0.076 0.000 0.998 49 L CB 0.606 42.562 42.059 -0.172 0.000 1.337 49 L HN 0.036 nan 8.230 nan 0.000 0.555 50 D N 1.286 121.686 120.400 0.000 0.000 2.425 50 D HA 0.045 4.684 4.640 -0.001 0.000 0.247 50 D C -1.610 174.742 176.300 0.087 0.000 1.147 50 D CA -1.432 52.590 54.000 0.037 0.000 0.879 50 D CB 1.982 42.812 40.800 0.051 0.000 1.179 50 D HN -0.091 nan 8.370 nan 0.000 0.456 51 P HA -0.167 nan 4.420 nan 0.000 0.217 51 P C 0.823 178.156 177.300 0.055 0.000 1.148 51 P CA 1.549 64.674 63.100 0.041 0.000 0.834 51 P CB 0.203 31.917 31.700 0.023 0.000 0.783 52 A N -1.713 121.158 122.820 0.084 0.000 1.898 52 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 52 A C 2.059 179.730 177.584 0.145 0.000 1.181 52 A CA 1.142 53.236 52.037 0.096 0.000 0.620 52 A CB -1.669 17.395 19.000 0.106 0.000 0.819 52 A HN 0.125 nan 8.150 nan 0.000 0.442 53 F N 0.661 120.640 119.950 0.048 0.000 2.146 53 F HA -0.065 4.461 4.527 -0.001 0.000 0.298 53 F C 1.926 177.723 175.800 -0.005 0.000 1.096 53 F CA 1.368 59.407 58.000 0.065 0.000 1.275 53 F CB -0.257 38.779 39.000 0.060 0.000 1.008 53 F HN 0.122 nan 8.300 nan 0.000 0.480 54 L N -0.277 120.959 121.223 0.023 0.000 2.079 54 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 54 L C 2.759 179.536 176.870 -0.154 0.000 1.081 54 L CA 1.186 55.945 54.840 -0.135 0.000 0.752 54 L CB -1.342 40.681 42.059 -0.059 0.000 0.896 54 L HN 0.206 nan 8.230 nan 0.000 0.433 55 A N 0.057 122.830 122.820 -0.079 0.000 1.908 55 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 55 A C 1.495 179.023 177.584 -0.093 0.000 1.181 55 A CA 0.880 52.879 52.037 -0.064 0.000 0.627 55 A CB -0.611 18.374 19.000 -0.026 0.000 0.818 55 A HN 0.293 nan 8.150 nan 0.000 0.445 59 E N 1.139 121.334 120.200 -0.008 0.000 2.077 59 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 59 E C 2.071 178.679 176.600 0.013 0.000 0.989 59 E CA 0.899 57.295 56.400 -0.006 0.000 0.800 59 E CB 0.158 29.844 29.700 -0.024 0.000 0.746 59 E HN 0.311 nan 8.360 nan 0.000 0.452 60 I N 1.269 121.854 120.570 0.026 0.000 2.208 60 I HA -0.336 3.834 4.170 -0.001 0.000 0.245 60 I C 2.512 178.659 176.117 0.049 0.000 1.097 60 I CA 1.309 62.629 61.300 0.034 0.000 1.363 60 I CB -0.278 37.752 38.000 0.050 0.000 1.051 60 I HN 0.159 nan 8.210 nan 0.000 0.413 61 Q N 0.086 119.952 119.800 0.109 0.000 2.050 61 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 61 Q C 2.453 178.486 176.000 0.056 0.000 0.980 61 Q CA 1.918 57.763 55.803 0.070 0.000 0.840 61 Q CB -0.237 28.572 28.738 0.119 0.000 0.898 61 Q HN 0.420 nan 8.270 nan 0.000 0.424 62 S N 1.132 116.863 115.700 0.052 0.000 2.359 62 S HA -0.126 4.343 4.470 -0.001 0.000 0.224 62 S C 1.985 176.627 174.600 0.069 0.000 1.035 62 S CA 1.062 59.290 58.200 0.048 0.000 1.018 62 S CB -0.262 62.951 63.200 0.022 0.000 0.876 62 S HN 0.261 nan 8.310 nan 0.000 0.448 63 L N 0.863 122.118 121.223 0.053 0.000 2.141 63 L HA -0.042 4.297 4.340 -0.001 0.000 0.209 63 L C 2.168 179.096 176.870 0.096 0.000 1.094 63 L CA 0.769 55.660 54.840 0.085 0.000 0.763 63 L CB -0.459 41.622 42.059 0.036 0.000 0.908 63 L HN 0.290 nan 8.230 nan 0.000 0.437 64 L N -0.745 120.503 121.223 0.042 0.000 2.056 64 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 64 L C 2.817 179.764 176.870 0.128 0.000 1.078 64 L CA 1.129 55.979 54.840 0.016 0.000 0.749 64 L CB -0.426 41.628 42.059 -0.008 0.000 0.901 64 L HN 0.206 nan 8.230 nan 0.000 0.433 65 R N -0.965 119.616 120.500 0.135 0.000 2.091 65 R HA -0.246 4.093 4.340 -0.001 0.000 0.238 65 R C 2.313 178.698 176.300 0.142 0.000 1.136 65 R CA 2.002 58.185 56.100 0.139 0.000 0.959 65 R CB -0.661 29.696 30.300 0.095 0.000 0.856 65 R HN 0.278 nan 8.270 nan 0.000 0.437 66 Y N 1.763 122.076 120.300 0.022 0.000 2.114 66 Y HA -0.244 4.305 4.550 -0.001 0.000 0.284 66 Y C 2.184 178.080 175.900 -0.007 0.000 1.143 66 Y CA 1.666 59.763 58.100 -0.004 0.000 1.135 66 Y CB -0.516 37.924 38.460 -0.034 0.000 0.980 66 Y HN -0.087 nan 8.280 nan 0.000 0.499 67 V N -2.961 116.824 119.914 -0.214 0.000 2.515 67 V HA -0.186 3.933 4.120 -0.001 0.000 0.250 67 V C 1.969 177.959 176.094 -0.174 0.000 1.058 67 V CA 1.722 63.817 62.300 -0.341 0.000 1.064 67 V CB -1.021 30.681 31.823 -0.202 0.000 0.675 67 V HN 0.552 nan 8.190 nan 0.000 0.461 68 W N 0.344 121.522 121.300 -0.205 0.000 3.077 68 W HA 0.343 5.002 4.660 -0.001 0.000 0.266 68 W C 0.936 177.309 176.519 -0.244 0.000 1.300 68 W CA 0.229 57.453 57.345 -0.201 0.000 1.586 68 W CB -0.126 29.240 29.460 -0.158 0.000 1.103 68 W HN 0.483 nan 8.180 nan 0.000 0.652 69 Q N 0.427 120.223 119.800 -0.006 0.000 2.460 69 Q HA -0.210 4.130 4.340 -0.001 0.000 0.311 69 Q C -0.072 175.904 176.000 -0.039 0.000 1.396 69 Q CA 1.422 57.200 55.803 -0.042 0.000 0.838 69 Q CB -2.080 26.609 28.738 -0.081 0.000 1.140 69 Q HN 0.202 nan 8.270 nan 0.000 0.415 70 T N -1.772 112.775 114.554 -0.011 0.000 2.906 70 T HA 0.472 4.821 4.350 -0.001 0.000 0.295 70 T C 0.435 175.129 174.700 -0.011 0.000 1.075 70 T CA -0.445 61.622 62.100 -0.055 0.000 1.005 70 T CB 1.238 70.018 68.868 -0.146 0.000 1.136 70 T HN 0.225 nan 8.240 nan 0.000 0.498 71 E N 1.557 121.741 120.200 -0.026 0.000 2.501 71 E HA 0.160 4.509 4.350 -0.001 0.000 0.200 71 E C -0.275 176.311 176.600 -0.024 0.000 1.016 71 E CA -0.444 55.950 56.400 -0.009 0.000 0.921 71 E CB 0.222 29.920 29.700 -0.004 0.000 1.034 71 E HN 0.439 nan 8.360 nan 0.000 0.468 72 N N 2.806 121.474 118.700 -0.054 0.000 2.365 72 N HA -0.050 4.689 4.740 -0.001 0.000 0.265 72 N C -1.825 173.665 175.510 -0.033 0.000 1.288 72 N CA -0.767 52.244 53.050 -0.064 0.000 0.869 72 N CB 0.426 38.840 38.487 -0.123 0.000 1.071 72 N HN 0.001 nan 8.380 nan 0.000 0.480 73 P HA -0.146 nan 4.420 nan 0.000 0.215 73 P C 0.593 177.893 177.300 -0.000 0.000 1.157 73 P CA 0.805 63.906 63.100 0.001 0.000 0.874 73 P CB 0.263 31.966 31.700 0.005 0.000 0.790 74 L N 0.304 121.519 121.223 -0.013 0.000 2.384 74 L HA 0.210 4.549 4.340 -0.001 0.000 0.258 74 L C -0.630 176.222 176.870 -0.030 0.000 1.266 74 L CA 0.642 55.478 54.840 -0.007 0.000 1.162 74 L CB -1.053 41.020 42.059 0.023 0.000 1.375 74 L HN -0.201 nan 8.230 nan 0.000 0.420 75 T N 5.857 120.382 114.554 -0.048 0.000 2.847 75 T HA 0.628 4.977 4.350 -0.001 0.000 0.291 75 T C -0.273 174.318 174.700 -0.181 0.000 0.998 75 T CA -0.313 61.769 62.100 -0.029 0.000 0.967 75 T CB 0.855 69.742 68.868 0.032 0.000 0.954 75 T HN 0.466 nan 8.240 nan 0.000 0.441 76 I N -0.178 120.214 120.570 -0.297 0.000 3.354 76 I HA 1.013 5.182 4.170 -0.001 0.000 0.316 76 I C -1.092 174.653 176.117 -0.620 0.000 1.182 76 I CA -1.783 58.942 61.300 -0.958 0.000 0.942 76 I CB 1.740 38.796 38.000 -1.574 0.000 1.299 76 I HN 0.557 nan 8.210 nan 0.000 0.473 77 A N 1.745 124.083 122.820 -0.804 0.000 2.312 77 A HA 0.759 5.079 4.320 -0.001 0.000 0.326 77 A C -0.586 176.977 177.584 -0.035 0.000 1.172 77 A CA -0.626 51.267 52.037 -0.240 0.000 0.821 77 A CB 1.300 20.162 19.000 -0.230 0.000 1.166 77 A HN 0.518 nan 8.150 nan 0.000 0.493 78 V N 1.662 121.613 119.914 0.060 0.000 2.567 78 V HA 0.239 4.359 4.120 -0.001 0.000 0.289 78 V C 0.645 176.886 176.094 0.245 0.000 1.049 78 V CA -0.216 62.140 62.300 0.094 0.000 0.969 78 V CB 1.825 33.655 31.823 0.012 0.000 0.995 78 V HN 0.871 nan 8.190 nan 0.000 0.471 79 S N 3.673 119.530 115.700 0.263 0.000 4.087 79 S HA 0.612 5.082 4.470 -0.001 0.000 0.213 79 S C 0.409 175.207 174.600 0.330 0.000 1.415 79 S CA 0.115 58.542 58.200 0.379 0.000 0.893 79 S CB -0.110 63.324 63.200 0.391 0.000 1.529 79 S HN 1.149 nan 8.310 nan 0.000 0.457 80 G N 1.005 109.968 108.800 0.272 0.000 2.451 80 G HA2 0.479 4.438 3.960 -0.001 0.000 0.292 80 G HA3 0.479 4.438 3.960 -0.001 0.000 0.292 80 G C -0.416 174.592 174.900 0.180 0.000 1.427 80 G CA -0.499 44.740 45.100 0.232 0.000 0.792 80 G HN 0.362 nan 8.290 nan 0.000 0.498 81 T N -2.113 112.531 114.554 0.150 0.000 2.793 81 T HA 0.508 4.857 4.350 -0.001 0.000 0.299 81 T C 1.982 176.761 174.700 0.132 0.000 1.038 81 T CA 0.876 63.056 62.100 0.133 0.000 0.948 81 T CB 0.846 69.786 68.868 0.120 0.000 1.231 81 T HN 1.569 nan 8.240 nan 0.000 0.538 82 G N -0.073 108.805 108.800 0.130 0.000 2.469 82 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.220 82 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.220 82 G C 1.483 176.459 174.900 0.127 0.000 1.136 82 G CA 1.316 46.511 45.100 0.158 0.000 0.759 82 G HN 0.771 nan 8.290 nan 0.000 0.562 83 T N 1.335 115.961 114.554 0.119 0.000 2.833 83 T HA 0.053 4.403 4.350 -0.001 0.000 0.269 83 T C 2.774 177.498 174.700 0.040 0.000 1.054 83 T CA 1.397 63.553 62.100 0.094 0.000 1.135 83 T CB -0.241 68.711 68.868 0.140 0.000 0.869 83 T HN 0.400 nan 8.240 nan 0.000 0.466 84 A N 1.533 124.398 122.820 0.075 0.000 1.872 84 A HA 0.460 4.779 4.320 -0.001 0.000 0.214 84 A C 1.699 179.294 177.584 0.019 0.000 1.187 84 A CA 1.012 53.096 52.037 0.078 0.000 0.614 84 A CB -0.943 18.142 19.000 0.142 0.000 0.826 84 A HN 0.556 nan 8.150 nan 0.000 0.442 88 A N 0.781 123.540 122.820 -0.102 0.000 1.930 88 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 88 A C 2.273 179.887 177.584 0.051 0.000 1.175 88 A CA 2.366 54.328 52.037 -0.124 0.000 0.627 88 A CB -1.065 17.747 19.000 -0.314 0.000 0.815 88 A HN 0.469 nan 8.150 nan 0.000 0.443 89 T N -1.752 112.916 114.554 0.191 0.000 2.788 89 T HA -0.090 4.259 4.350 -0.001 0.000 0.268 89 T C 1.761 176.458 174.700 -0.005 0.000 1.044 89 T CA 1.352 63.569 62.100 0.194 0.000 1.139 89 T CB -0.363 68.585 68.868 0.134 0.000 0.867 89 T HN 0.200 nan 8.240 nan 0.000 0.454 90 I N 2.362 122.859 120.570 -0.122 0.000 2.233 90 I HA 0.031 4.201 4.170 -0.001 0.000 0.243 90 I C 3.195 179.066 176.117 -0.410 0.000 1.093 90 I CA 1.245 62.415 61.300 -0.215 0.000 1.380 90 I CB -1.724 36.147 38.000 -0.214 0.000 1.067 90 I HN 0.376 nan 8.210 nan 0.000 0.413 91 A N 1.054 123.486 122.820 -0.647 0.000 1.908 91 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 91 A C 2.034 179.462 177.584 -0.260 0.000 1.181 91 A CA 1.734 53.335 52.037 -0.727 0.000 0.627 91 A CB -0.714 17.969 19.000 -0.529 0.000 0.818 91 A HN 0.479 nan 8.150 nan 0.000 0.445 92 N N -0.487 118.124 118.700 -0.148 0.000 2.457 92 N HA 0.055 4.794 4.740 -0.001 0.000 0.180 92 N C 1.454 176.948 175.510 -0.027 0.000 1.050 92 N CA 1.035 54.053 53.050 -0.053 0.000 0.906 92 N CB 0.051 38.547 38.487 0.015 0.000 0.968 92 N HN 0.515 nan 8.380 nan 0.000 0.445 93 A N 0.090 122.884 122.820 -0.043 0.000 2.229 93 A HA 0.228 4.547 4.320 -0.001 0.000 0.211 93 A C 0.692 178.264 177.584 -0.020 0.000 1.193 93 A CA 0.065 52.087 52.037 -0.024 0.000 0.879 93 A CB 0.646 19.633 19.000 -0.022 0.000 0.911 93 A HN -0.027 nan 8.150 nan 0.000 0.492 94 V N 1.646 121.541 119.914 -0.033 0.000 2.398 94 V HA 0.326 4.445 4.120 -0.001 0.000 0.286 94 V C -0.481 175.641 176.094 0.047 0.000 1.026 94 V CA -0.601 61.706 62.300 0.011 0.000 0.868 94 V CB 1.362 33.203 31.823 0.029 0.000 0.982 94 V HN 0.452 nan 8.190 nan 0.000 0.443 95 E N 5.278 125.507 120.200 0.049 0.000 2.221 95 E HA 0.416 4.766 4.350 -0.001 0.000 0.268 95 E C -2.611 174.026 176.600 0.062 0.000 0.933 95 E CA -2.199 54.236 56.400 0.059 0.000 0.809 95 E CB 1.927 31.651 29.700 0.040 0.000 1.190 95 E HN 0.414 nan 8.360 nan 0.000 0.406 96 P HA -0.071 nan 4.420 nan 0.000 0.260 96 P C 0.506 177.828 177.300 0.037 0.000 1.172 96 P CA 1.200 64.329 63.100 0.049 0.000 0.760 96 P CB 0.278 32.002 31.700 0.040 0.000 0.773 97 G N 2.307 111.127 108.800 0.033 0.000 2.213 97 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.236 97 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.236 97 G C -0.018 174.898 174.900 0.026 0.000 0.991 97 G CA -0.388 44.728 45.100 0.027 0.000 0.629 97 G HN 0.485 nan 8.290 nan 0.000 0.517 98 D N 0.751 121.169 120.400 0.029 0.000 2.455 98 D HA 0.384 5.023 4.640 -0.001 0.000 0.241 98 D C 0.739 177.051 176.300 0.020 0.000 1.138 98 D CA 0.182 54.197 54.000 0.025 0.000 0.877 98 D CB 1.584 42.399 40.800 0.025 0.000 1.187 98 D HN 0.174 nan 8.370 nan 0.000 0.451 99 V N 3.216 123.141 119.914 0.018 0.000 2.461 99 V HA 0.196 4.315 4.120 -0.001 0.000 0.275 99 V C 0.339 176.429 176.094 -0.006 0.000 1.047 99 V CA -0.414 61.892 62.300 0.010 0.000 0.955 99 V CB 1.509 33.347 31.823 0.026 0.000 0.988 99 V HN 0.214 nan 8.190 nan 0.000 0.471 100 V N 6.665 126.564 119.914 -0.026 0.000 2.443 100 V HA 0.399 4.519 4.120 -0.001 0.000 0.293 100 V C -0.466 175.577 176.094 -0.084 0.000 1.021 100 V CA -0.593 61.684 62.300 -0.039 0.000 0.848 100 V CB 1.692 33.505 31.823 -0.018 0.000 0.998 100 V HN 0.675 nan 8.190 nan 0.000 0.424 101 L N 7.444 128.604 121.223 -0.105 0.000 2.272 101 L HA 0.668 5.008 4.340 -0.001 0.000 0.289 101 L C -0.574 176.205 176.870 -0.152 0.000 1.032 101 L CA 0.337 55.074 54.840 -0.172 0.000 0.810 101 L CB 0.918 42.873 42.059 -0.173 0.000 1.205 101 L HN 0.537 nan 8.230 nan 0.000 0.422 102 I N 4.714 125.190 120.570 -0.158 0.000 2.406 102 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 102 I C 0.623 176.637 176.117 -0.172 0.000 0.999 102 I CA -0.709 60.519 61.300 -0.121 0.000 1.124 102 I CB 1.851 39.816 38.000 -0.058 0.000 1.289 102 I HN 0.774 nan 8.210 nan 0.000 0.441 103 G N 6.029 114.693 108.800 -0.227 0.000 2.391 103 G HA2 0.440 4.399 3.960 -0.001 0.000 0.305 103 G HA3 0.440 4.399 3.960 -0.001 0.000 0.305 103 G C -0.413 174.550 174.900 0.105 0.000 1.072 103 G CA -0.196 44.670 45.100 -0.390 0.000 1.016 103 G HN 0.362 nan 8.290 nan 0.000 0.418 104 V N 2.401 122.460 119.914 0.242 0.000 2.333 104 V HA 0.553 4.673 4.120 -0.001 0.000 0.274 104 V C 0.672 176.910 176.094 0.239 0.000 1.028 104 V CA -0.015 62.403 62.300 0.196 0.000 0.851 104 V CB 1.158 33.064 31.823 0.138 0.000 1.000 104 V HN 0.932 nan 8.190 nan 0.000 0.456 105 A N 3.884 126.747 122.820 0.071 0.000 2.585 105 A HA 0.814 5.133 4.320 -0.001 0.000 0.281 105 A C 0.410 177.710 177.584 -0.473 0.000 0.945 105 A CA 0.306 52.291 52.037 -0.087 0.000 1.031 105 A CB 0.280 19.188 19.000 -0.153 0.000 1.221 105 A HN 1.231 nan 8.150 nan 0.000 0.496 106 G N -2.013 106.307 108.800 -0.800 0.000 2.313 106 G HA2 0.290 4.249 3.960 -0.001 0.000 0.296 106 G HA3 0.290 4.249 3.960 -0.001 0.000 0.296 106 G C 0.051 174.320 174.900 -1.052 0.000 1.356 106 G CA 0.040 44.184 45.100 -1.592 0.000 0.833 106 G HN 0.441 nan 8.290 nan 0.000 0.552 107 Y N -0.034 119.529 120.300 -1.227 0.000 2.207 107 Y HA -0.028 4.521 4.550 -0.001 0.000 0.287 107 Y C 2.321 177.902 175.900 -0.531 0.000 1.156 107 Y CA 2.615 60.334 58.100 -0.635 0.000 1.182 107 Y CB -0.155 37.927 38.460 -0.631 0.000 0.979 107 Y HN 0.357 nan 8.280 nan 0.000 0.521 108 F N -0.436 119.528 119.950 0.023 0.000 2.367 108 F HA 0.104 4.630 4.527 -0.001 0.000 0.298 108 F C 2.546 178.338 175.800 -0.013 0.000 1.094 108 F CA 0.968 59.007 58.000 0.064 0.000 1.409 108 F CB -1.034 38.056 39.000 0.150 0.000 1.064 108 F HN 0.078 nan 8.300 nan 0.000 0.528 109 G N 0.447 109.280 108.800 0.054 0.000 2.476 109 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 109 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 109 G C 1.714 176.601 174.900 -0.021 0.000 1.164 109 G CA 1.106 46.221 45.100 0.025 0.000 0.768 109 G HN 0.245 nan 8.290 nan 0.000 0.560 110 N N 0.281 118.924 118.700 -0.094 0.000 2.166 110 N HA -0.087 4.652 4.740 -0.001 0.000 0.186 110 N C 2.179 177.599 175.510 -0.150 0.000 1.019 110 N CA 0.893 53.876 53.050 -0.111 0.000 0.856 110 N CB -0.317 38.088 38.487 -0.137 0.000 0.993 110 N HN 0.397 nan 8.380 nan 0.000 0.426 111 R N 0.999 121.364 120.500 -0.226 0.000 2.081 111 R HA 0.007 4.346 4.340 -0.001 0.000 0.235 111 R C 2.248 178.547 176.300 -0.002 0.000 1.131 111 R CA 0.725 56.744 56.100 -0.136 0.000 0.960 111 R CB -0.214 30.022 30.300 -0.106 0.000 0.856 111 R HN 0.145 nan 8.270 nan 0.000 0.436 112 L N 0.139 121.389 121.223 0.045 0.000 2.042 112 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 112 L C 2.443 179.334 176.870 0.035 0.000 1.076 112 L CA 1.132 56.011 54.840 0.065 0.000 0.749 112 L CB -0.423 41.689 42.059 0.089 0.000 0.893 112 L HN 0.091 nan 8.230 nan 0.000 0.432 113 V N -0.638 119.281 119.914 0.008 0.000 2.287 113 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 113 V C 1.374 177.473 176.094 0.008 0.000 1.053 113 V CA 1.442 63.742 62.300 -0.001 0.000 1.027 113 V CB -0.503 31.312 31.823 -0.014 0.000 0.646 113 V HN 0.487 nan 8.190 nan 0.000 0.447 117 G N 0.419 109.260 108.800 0.069 0.000 2.432 117 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.219 117 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.219 117 G C 1.433 176.338 174.900 0.008 0.000 1.135 117 G CA 1.234 46.353 45.100 0.031 0.000 0.767 117 G HN 0.502 nan 8.290 nan 0.000 0.550 118 R N -1.081 119.414 120.500 -0.010 0.000 2.189 118 R HA 0.009 4.348 4.340 -0.001 0.000 0.223 118 R C 1.188 177.281 176.300 -0.344 0.000 1.092 118 R CA 0.633 56.635 56.100 -0.164 0.000 0.989 118 R CB -0.167 30.006 30.300 -0.211 0.000 0.876 118 R HN 0.491 nan 8.270 nan 0.000 0.457 119 Y N -0.593 119.713 120.300 0.010 0.000 2.493 119 Y HA 0.227 4.776 4.550 -0.001 0.000 0.275 119 Y C 1.362 177.269 175.900 0.011 0.000 1.183 119 Y CA 0.307 58.415 58.100 0.013 0.000 1.258 119 Y CB 0.836 39.305 38.460 0.015 0.000 1.108 119 Y HN 0.204 nan 8.280 nan 0.000 0.521 120 G N -0.044 108.794 108.800 0.063 0.000 2.136 120 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.242 120 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.242 120 G C 0.434 175.364 174.900 0.051 0.000 0.989 120 G CA -0.082 45.043 45.100 0.043 0.000 0.682 120 G HN 0.622 nan 8.290 nan 0.000 0.522 121 A N -0.163 122.696 122.820 0.064 0.000 2.425 121 A HA 0.488 4.808 4.320 -0.001 0.000 0.242 121 A C 0.480 178.078 177.584 0.024 0.000 1.077 121 A CA 0.627 52.691 52.037 0.045 0.000 0.781 121 A CB 0.395 19.422 19.000 0.045 0.000 1.020 121 A HN 0.501 nan 8.150 nan 0.000 0.494 122 D N 1.785 122.194 120.400 0.016 0.000 2.411 122 D HA 0.353 4.992 4.640 -0.001 0.000 0.225 122 D C -0.607 175.686 176.300 -0.012 0.000 1.156 122 D CA -0.037 53.967 54.000 0.007 0.000 0.874 122 D CB 0.419 41.227 40.800 0.014 0.000 1.034 122 D HN 0.114 nan 8.370 nan 0.000 0.502 123 V N 5.633 125.534 119.914 -0.022 0.000 2.461 123 V HA 0.408 4.527 4.120 -0.001 0.000 0.275 123 V C 0.617 176.654 176.094 -0.094 0.000 1.047 123 V CA -0.496 61.775 62.300 -0.048 0.000 0.955 123 V CB 1.025 32.831 31.823 -0.030 0.000 0.988 123 V HN 0.374 nan 8.190 nan 0.000 0.471 124 R N 2.801 123.196 120.500 -0.175 0.000 2.740 124 R HA 0.760 5.099 4.340 -0.001 0.000 0.282 124 R C -0.277 175.838 176.300 -0.309 0.000 0.969 124 R CA -0.560 55.332 56.100 -0.347 0.000 0.918 124 R CB 2.141 32.004 30.300 -0.729 0.000 1.175 124 R HN 0.861 nan 8.270 nan 0.000 0.464 125 T N -1.286 113.106 114.554 -0.270 0.000 2.906 125 T HA 0.778 5.128 4.350 -0.001 0.000 0.295 125 T C 0.286 174.919 174.700 -0.111 0.000 1.061 125 T CA -0.885 61.121 62.100 -0.156 0.000 1.000 125 T CB 1.474 70.311 68.868 -0.052 0.000 1.103 125 T HN 0.567 nan 8.240 nan 0.000 0.486 126 I N -0.818 119.704 120.570 -0.080 0.000 2.892 126 I HA 0.873 5.042 4.170 -0.001 0.000 0.306 126 I C -0.465 175.794 176.117 0.235 0.000 1.078 126 I CA -1.176 60.148 61.300 0.039 0.000 1.032 126 I CB 2.518 40.483 38.000 -0.058 0.000 1.229 126 I HN 0.876 nan 8.210 nan 0.000 0.435 127 S N 2.773 118.682 115.700 0.348 0.000 2.548 127 S HA 0.721 5.190 4.470 -0.001 0.000 0.286 127 S C -0.860 173.854 174.600 0.189 0.000 1.098 127 S CA -0.868 57.528 58.200 0.327 0.000 0.930 127 S CB 2.253 65.564 63.200 0.186 0.000 1.070 127 S HN 0.622 nan 8.310 nan 0.000 0.480 128 K N 0.950 121.336 120.400 -0.024 0.000 2.435 128 K HA 0.649 4.968 4.320 -0.001 0.000 0.251 128 K C -3.114 173.487 176.600 0.001 0.000 0.954 128 K CA -2.275 53.889 56.287 -0.205 0.000 0.820 128 K CB 1.506 33.611 32.500 -0.659 0.000 1.292 128 K HN 0.404 nan 8.250 nan 0.000 0.436 129 P HA -0.012 nan 4.420 nan 0.000 0.266 129 P C -0.557 176.891 177.300 0.246 0.000 1.195 129 P CA -0.039 63.133 63.100 0.119 0.000 0.768 129 P CB 0.252 31.981 31.700 0.048 0.000 0.838 130 W N 2.414 123.726 121.300 0.020 0.000 2.322 130 W HA 0.385 5.044 4.660 -0.001 0.000 0.328 130 W C 1.521 178.137 176.519 0.162 0.000 1.395 130 W CA 1.250 58.633 57.345 0.063 0.000 1.267 130 W CB -0.912 28.590 29.460 0.070 0.000 1.259 130 W HN 0.795 nan 8.180 nan 0.000 0.560 131 G N 1.681 110.633 108.800 0.252 0.000 2.231 131 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.206 131 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.206 131 G C 0.216 175.084 174.900 -0.052 0.000 0.996 131 G CA -0.336 44.842 45.100 0.130 0.000 0.645 131 G HN 0.453 nan 8.290 nan 0.000 0.498 132 E N -0.383 119.764 120.200 -0.088 0.000 2.254 132 E HA 0.690 5.039 4.350 -0.001 0.000 0.258 132 E C 0.113 176.503 176.600 -0.349 0.000 1.033 132 E CA -0.320 55.953 56.400 -0.212 0.000 0.893 132 E CB 2.533 32.113 29.700 -0.200 0.000 1.204 132 E HN 0.807 nan 8.360 nan 0.000 0.425 133 V N -1.776 117.843 119.914 -0.492 0.000 3.130 133 V HA 0.567 4.686 4.120 -0.001 0.000 0.310 133 V C -1.089 174.681 176.094 -0.539 0.000 1.158 133 V CA -1.031 60.948 62.300 -0.535 0.000 1.029 133 V CB 1.092 32.547 31.823 -0.613 0.000 1.057 133 V HN 0.465 nan 8.190 nan 0.000 0.436 134 F N 1.996 121.835 119.950 -0.186 0.000 2.385 134 F HA 0.695 5.221 4.527 -0.001 0.000 0.336 134 F C 1.219 176.939 175.800 -0.133 0.000 1.100 134 F CA 0.194 58.116 58.000 -0.130 0.000 1.116 134 F CB 1.720 40.661 39.000 -0.098 0.000 1.166 134 F HN 0.848 nan 8.300 nan 0.000 0.511 135 S N 2.733 118.485 115.700 0.087 0.000 2.669 135 S HA 0.354 4.823 4.470 -0.001 0.000 0.270 135 S C 1.080 175.704 174.600 0.040 0.000 1.225 135 S CA -0.825 57.396 58.200 0.035 0.000 0.991 135 S CB 0.867 64.082 63.200 0.025 0.000 0.987 135 S HN 0.714 nan 8.310 nan 0.000 0.552 136 L N 0.225 121.456 121.223 0.012 0.000 2.042 136 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 136 L C 2.943 179.816 176.870 0.005 0.000 1.076 136 L CA 2.068 56.908 54.840 -0.000 0.000 0.749 136 L CB -0.600 41.458 42.059 -0.002 0.000 0.893 136 L HN 0.872 nan 8.230 nan 0.000 0.432 137 E N 0.415 120.624 120.200 0.016 0.000 2.110 137 E HA -0.237 4.112 4.350 -0.001 0.000 0.193 137 E C 1.950 178.558 176.600 0.012 0.000 0.988 137 E CA 1.384 57.794 56.400 0.016 0.000 0.804 137 E CB 0.050 29.762 29.700 0.020 0.000 0.745 137 E HN 0.392 nan 8.360 nan 0.000 0.458 138 E N -0.160 120.060 120.200 0.034 0.000 2.085 138 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 138 E C 2.150 178.745 176.600 -0.008 0.000 0.994 138 E CA 1.344 57.777 56.400 0.055 0.000 0.801 138 E CB -0.146 29.654 29.700 0.165 0.000 0.743 138 E HN 0.308 nan 8.360 nan 0.000 0.453 139 L N 0.399 121.598 121.223 -0.041 0.000 2.056 139 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 139 L C 2.726 179.497 176.870 -0.164 0.000 1.078 139 L CA 1.113 55.872 54.840 -0.136 0.000 0.749 139 L CB -0.404 41.575 42.059 -0.134 0.000 0.901 139 L HN 0.073 nan 8.230 nan 0.000 0.433 140 R N -0.139 120.296 120.500 -0.108 0.000 2.091 140 R HA -0.167 4.172 4.340 -0.001 0.000 0.238 140 R C 2.194 178.398 176.300 -0.160 0.000 1.136 140 R CA 2.061 58.090 56.100 -0.120 0.000 0.959 140 R CB -0.321 29.986 30.300 0.012 0.000 0.856 140 R HN 0.214 nan 8.270 nan 0.000 0.437 141 T N 0.416 114.917 114.554 -0.088 0.000 2.788 141 T HA -0.066 4.283 4.350 -0.001 0.000 0.268 141 T C 1.725 176.352 174.700 -0.122 0.000 1.044 141 T CA 1.293 63.349 62.100 -0.073 0.000 1.139 141 T CB -0.191 68.659 68.868 -0.030 0.000 0.867 141 T HN 0.489 nan 8.240 nan 0.000 0.454 142 A N 0.957 123.703 122.820 -0.123 0.000 1.930 142 A HA 0.100 4.419 4.320 -0.001 0.000 0.217 142 A C 2.264 179.760 177.584 -0.147 0.000 1.175 142 A CA 0.961 52.957 52.037 -0.069 0.000 0.627 142 A CB -0.695 18.261 19.000 -0.073 0.000 0.815 142 A HN 0.458 nan 8.150 nan 0.000 0.443 143 L N -0.692 120.310 121.223 -0.368 0.000 2.056 143 L HA -0.202 4.138 4.340 -0.001 0.000 0.207 143 L C 2.582 179.058 176.870 -0.656 0.000 1.078 143 L CA 1.569 56.006 54.840 -0.673 0.000 0.749 143 L CB -0.584 40.703 42.059 -1.287 0.000 0.901 143 L HN 0.468 nan 8.230 nan 0.000 0.433 144 E N -0.532 119.373 120.200 -0.492 0.000 2.085 144 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 144 E C 2.072 178.617 176.600 -0.091 0.000 0.994 144 E CA 1.920 58.279 56.400 -0.069 0.000 0.801 144 E CB -0.094 29.616 29.700 0.017 0.000 0.743 144 E HN 0.450 nan 8.360 nan 0.000 0.453 145 T N -0.336 114.090 114.554 -0.213 0.000 2.851 145 T HA -0.066 4.284 4.350 -0.001 0.000 0.262 145 T C 1.396 175.825 174.700 -0.452 0.000 1.043 145 T CA 0.911 62.795 62.100 -0.361 0.000 1.140 145 T CB -0.040 68.501 68.868 -0.545 0.000 0.872 145 T HN 0.255 nan 8.240 nan 0.000 0.446 146 H N 0.117 119.142 119.070 -0.075 0.000 2.750 146 H HA 0.281 4.836 4.556 -0.001 0.000 0.263 146 H C 0.413 175.718 175.328 -0.039 0.000 0.964 146 H CA 0.069 56.083 56.048 -0.058 0.000 1.205 146 H CB 0.406 30.121 29.762 -0.078 0.000 1.454 146 H HN 0.055 nan 8.280 nan 0.000 0.503 147 R N 0.878 121.399 120.500 0.036 0.000 3.158 147 R HA -0.113 4.226 4.340 -0.001 0.000 0.244 147 R C -2.574 173.769 176.300 0.071 0.000 0.900 147 R CA 0.111 56.259 56.100 0.080 0.000 0.618 147 R CB -2.346 28.012 30.300 0.097 0.000 1.061 147 R HN 0.448 nan 8.270 nan 0.000 0.471 148 P HA 0.239 nan 4.420 nan 0.000 0.279 148 P C 0.501 177.816 177.300 0.025 0.000 1.252 148 P CA -0.117 62.998 63.100 0.025 0.000 0.811 148 P CB 0.942 32.634 31.700 -0.013 0.000 1.035 149 A N 2.209 125.040 122.820 0.017 0.000 1.968 149 A HA 0.084 4.404 4.320 -0.001 0.000 0.217 149 A C 1.123 178.709 177.584 0.003 0.000 1.169 149 A CA 1.146 53.192 52.037 0.015 0.000 0.638 149 A CB -0.615 18.393 19.000 0.013 0.000 0.812 149 A HN 0.563 nan 8.150 nan 0.000 0.446 150 I N -0.751 119.812 120.570 -0.011 0.000 2.619 150 I HA 0.389 4.558 4.170 -0.001 0.000 0.292 150 I C -1.366 174.724 176.117 -0.045 0.000 1.100 150 I CA -0.788 60.498 61.300 -0.024 0.000 1.043 150 I CB 2.386 40.374 38.000 -0.020 0.000 1.239 150 I HN 0.122 nan 8.210 nan 0.000 0.420 151 L N 6.239 127.429 121.223 -0.056 0.000 2.305 151 L HA 0.875 5.215 4.340 -0.001 0.000 0.284 151 L C -0.508 176.319 176.870 -0.073 0.000 1.013 151 L CA -0.138 54.650 54.840 -0.087 0.000 0.819 151 L CB 1.296 43.290 42.059 -0.109 0.000 1.227 151 L HN 0.671 nan 8.230 nan 0.000 0.417 152 A N 6.421 129.198 122.820 -0.071 0.000 2.304 152 A HA 0.852 5.171 4.320 -0.001 0.000 0.323 152 A C -1.165 176.393 177.584 -0.044 0.000 1.195 152 A CA -0.498 51.520 52.037 -0.032 0.000 0.826 152 A CB 0.694 19.699 19.000 0.008 0.000 1.184 152 A HN 0.760 nan 8.150 nan 0.000 0.496 153 L N 1.985 123.196 121.223 -0.019 0.000 2.393 153 L HA 0.504 4.843 4.340 -0.001 0.000 0.260 153 L C -0.939 175.948 176.870 0.029 0.000 1.002 153 L CA -1.059 53.778 54.840 -0.005 0.000 0.818 153 L CB 2.435 44.476 42.059 -0.030 0.000 1.369 153 L HN 0.405 nan 8.230 nan 0.000 0.412 154 V N 1.367 121.317 119.914 0.060 0.000 2.364 154 V HA 0.114 4.233 4.120 -0.001 0.000 0.272 154 V C 0.940 177.078 176.094 0.073 0.000 1.036 154 V CA -0.195 62.139 62.300 0.057 0.000 0.880 154 V CB 0.913 32.787 31.823 0.085 0.000 0.991 154 V HN 0.803 nan 8.190 nan 0.000 0.460 155 H N 4.262 123.298 119.070 -0.057 0.000 2.357 155 H HA 0.098 4.653 4.556 -0.001 0.000 0.301 155 H C 0.823 176.132 175.328 -0.031 0.000 1.082 155 H CA 1.067 57.090 56.048 -0.043 0.000 1.342 155 H CB 0.551 30.302 29.762 -0.018 0.000 1.389 155 H HN 0.666 nan 8.280 nan 0.000 0.511 156 A N 1.500 124.262 122.820 -0.097 0.000 2.466 156 A HA 0.205 4.525 4.320 -0.001 0.000 0.291 156 A C -0.821 176.721 177.584 -0.069 0.000 1.234 156 A CA -0.615 51.325 52.037 -0.161 0.000 0.752 156 A CB 1.075 19.961 19.000 -0.191 0.000 1.153 156 A HN 0.287 nan 8.150 nan 0.000 0.458 157 E N 2.387 122.567 120.200 -0.032 0.000 1.932 157 E HA 0.127 4.476 4.350 -0.001 0.000 0.275 157 E C 0.671 177.303 176.600 0.054 0.000 1.159 157 E CA 0.068 56.480 56.400 0.021 0.000 0.905 157 E CB 0.540 30.229 29.700 -0.019 0.000 1.059 157 E HN 0.681 nan 8.360 nan 0.000 0.400 158 T N 0.423 115.020 114.554 0.072 0.000 2.897 158 T HA -0.173 4.176 4.350 -0.001 0.000 0.271 158 T C 1.691 176.487 174.700 0.161 0.000 1.084 158 T CA 1.559 63.718 62.100 0.099 0.000 1.123 158 T CB 0.066 68.972 68.868 0.064 0.000 0.865 158 T HN 0.391 nan 8.240 nan 0.000 0.496 159 S N 1.145 116.959 115.700 0.190 0.000 2.527 159 S HA -0.012 4.457 4.470 -0.001 0.000 0.222 159 S C 1.915 176.594 174.600 0.133 0.000 0.985 159 S CA 0.919 59.192 58.200 0.121 0.000 0.921 159 S CB -0.409 62.784 63.200 -0.011 0.000 0.772 159 S HN 0.676 nan 8.310 nan 0.000 0.529 160 T N -4.332 110.286 114.554 0.105 0.000 2.969 160 T HA 0.508 4.858 4.350 -0.001 0.000 0.258 160 T C 1.503 176.315 174.700 0.187 0.000 0.962 160 T CA 0.794 62.998 62.100 0.173 0.000 0.903 160 T CB 0.038 68.987 68.868 0.135 0.000 1.177 160 T HN 1.194 nan 8.240 nan 0.000 0.511 161 G N 1.502 110.379 108.800 0.129 0.000 2.143 161 G HA2 0.067 4.027 3.960 -0.001 0.000 0.249 161 G HA3 0.067 4.027 3.960 -0.001 0.000 0.249 161 G C 0.210 175.169 174.900 0.097 0.000 0.981 161 G CA -0.040 45.136 45.100 0.126 0.000 0.665 161 G HN 1.320 nan 8.290 nan 0.000 0.528 162 A N -0.192 122.665 122.820 0.061 0.000 2.312 162 A HA 0.846 5.166 4.320 -0.001 0.000 0.326 162 A C 0.377 177.950 177.584 -0.018 0.000 1.172 162 A CA -0.184 51.873 52.037 0.033 0.000 0.821 162 A CB 0.864 19.861 19.000 -0.005 0.000 1.166 162 A HN 0.673 nan 8.150 nan 0.000 0.493 163 R N 1.836 122.333 120.500 -0.005 0.000 2.255 163 R HA 0.334 4.673 4.340 -0.001 0.000 0.326 163 R C -0.752 175.515 176.300 -0.055 0.000 0.986 163 R CA -0.483 55.561 56.100 -0.093 0.000 0.847 163 R CB 0.853 31.106 30.300 -0.078 0.000 1.111 163 R HN 0.756 nan 8.270 nan 0.000 0.452 164 Q N 5.960 125.723 119.800 -0.060 0.000 2.323 164 Q HA 0.259 4.598 4.340 -0.001 0.000 0.257 164 Q C -2.317 173.694 176.000 0.018 0.000 1.022 164 Q CA -1.881 53.905 55.803 -0.027 0.000 0.919 164 Q CB 1.253 30.013 28.738 0.036 0.000 1.220 164 Q HN 0.369 nan 8.270 nan 0.000 0.427 165 P HA -0.006 nan 4.420 nan 0.000 0.268 165 P C -0.517 176.641 177.300 -0.238 0.000 1.204 165 P CA 0.372 63.411 63.100 -0.101 0.000 0.768 165 P CB 0.612 32.294 31.700 -0.029 0.000 0.842 166 L N 0.910 121.812 121.223 -0.535 0.000 2.858 166 L HA 0.194 4.533 4.340 -0.001 0.000 0.251 166 L C 0.446 176.914 176.870 -0.669 0.000 1.149 166 L CA -0.042 54.413 54.840 -0.642 0.000 0.955 166 L CB -0.026 41.495 42.059 -0.895 0.000 1.289 166 L HN 0.282 nan 8.230 nan 0.000 0.542 167 E N 0.791 120.640 120.200 -0.587 0.000 2.465 167 E HA 0.254 4.603 4.350 -0.001 0.000 0.260 167 E C 1.245 177.743 176.600 -0.170 0.000 0.980 167 E CA 1.214 57.420 56.400 -0.323 0.000 0.927 167 E CB 0.349 29.954 29.700 -0.158 0.000 0.934 167 E HN 0.292 nan 8.360 nan 0.000 0.459 168 G N 1.566 110.312 108.800 -0.091 0.000 2.234 168 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.260 168 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.260 168 G C 1.106 175.980 174.900 -0.042 0.000 0.987 168 G CA 0.379 45.453 45.100 -0.043 0.000 0.625 168 G HN 0.407 nan 8.290 nan 0.000 0.532 169 V N 1.229 121.092 119.914 -0.085 0.000 2.379 169 V HA 0.091 4.210 4.120 -0.001 0.000 0.245 169 V C 3.052 179.126 176.094 -0.032 0.000 1.044 169 V CA 2.941 65.198 62.300 -0.072 0.000 1.036 169 V CB -1.009 30.742 31.823 -0.118 0.000 0.664 169 V HN 0.678 nan 8.190 nan 0.000 0.453 170 G N -0.799 107.990 108.800 -0.017 0.000 2.421 170 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.216 170 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.216 170 G C 1.528 176.441 174.900 0.021 0.000 1.171 170 G CA 0.909 46.015 45.100 0.010 0.000 0.775 170 G HN 0.529 nan 8.290 nan 0.000 0.543 171 E N -0.437 119.777 120.200 0.023 0.000 2.077 171 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 171 E C 2.430 179.058 176.600 0.046 0.000 0.989 171 E CA 0.798 57.214 56.400 0.027 0.000 0.800 171 E CB -0.158 29.555 29.700 0.021 0.000 0.746 171 E HN 0.304 nan 8.360 nan 0.000 0.452 172 L N 0.672 121.929 121.223 0.056 0.000 2.012 172 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 172 L C 2.377 179.359 176.870 0.188 0.000 1.073 172 L CA 1.732 56.643 54.840 0.119 0.000 0.748 172 L CB -0.758 41.343 42.059 0.070 0.000 0.891 172 L HN 0.281 nan 8.230 nan 0.000 0.431 173 C N -0.438 118.921 119.300 0.099 0.000 2.413 173 C HA -0.151 4.308 4.460 -0.001 0.000 0.277 173 C C 2.777 177.837 174.990 0.117 0.000 1.265 173 C CA 0.920 59.999 59.018 0.103 0.000 1.752 173 C CB -1.156 26.601 27.740 0.028 0.000 1.998 173 C HN 0.497 nan 8.230 nan 0.000 0.489 174 R N 0.469 121.011 120.500 0.069 0.000 2.115 174 R HA -0.130 4.209 4.340 -0.001 0.000 0.230 174 R C 2.171 178.481 176.300 0.017 0.000 1.111 174 R CA 1.123 57.245 56.100 0.036 0.000 0.976 174 R CB -0.373 29.935 30.300 0.013 0.000 0.870 174 R HN 0.663 nan 8.270 nan 0.000 0.445 175 E N 0.133 120.345 120.200 0.019 0.000 2.153 175 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 175 E C 0.699 177.123 176.600 -0.294 0.000 0.988 175 E CA 1.058 57.380 56.400 -0.129 0.000 0.811 175 E CB 0.107 29.725 29.700 -0.137 0.000 0.746 175 E HN 0.270 nan 8.360 nan 0.000 0.466 176 F N -0.755 119.185 119.950 -0.017 0.000 2.695 176 F HA 0.307 4.834 4.527 -0.001 0.000 0.303 176 F C 1.328 177.120 175.800 -0.014 0.000 1.091 176 F CA 0.463 58.454 58.000 -0.015 0.000 1.300 176 F CB 1.209 40.199 39.000 -0.016 0.000 1.071 176 F HN 0.120 nan 8.300 nan 0.000 0.578 177 G N 1.388 110.247 108.800 0.099 0.000 2.221 177 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.265 177 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.265 177 G C 0.086 175.026 174.900 0.067 0.000 1.041 177 G CA 0.388 45.524 45.100 0.059 0.000 0.807 177 G HN 0.248 nan 8.290 nan 0.000 0.502 178 T N 0.661 115.265 114.554 0.083 0.000 2.824 178 T HA 0.607 4.956 4.350 -0.001 0.000 0.280 178 T C 0.750 175.460 174.700 0.017 0.000 0.995 178 T CA -0.533 61.597 62.100 0.050 0.000 1.009 178 T CB 1.564 70.463 68.868 0.052 0.000 0.955 178 T HN 0.325 nan 8.240 nan 0.000 0.452 179 L N 3.120 124.342 121.223 -0.002 0.000 2.349 179 L HA 0.416 4.755 4.340 -0.001 0.000 0.275 179 L C -0.227 176.623 176.870 -0.033 0.000 1.115 179 L CA -0.898 53.929 54.840 -0.021 0.000 0.820 179 L CB 0.577 42.620 42.059 -0.028 0.000 1.135 179 L HN 0.354 nan 8.230 nan 0.000 0.445 180 L N 4.900 126.096 121.223 -0.045 0.000 2.264 180 L HA 0.489 4.828 4.340 -0.001 0.000 0.289 180 L C -0.791 176.037 176.870 -0.069 0.000 1.044 180 L CA 0.064 54.871 54.840 -0.056 0.000 0.807 180 L CB 1.214 43.242 42.059 -0.052 0.000 1.192 180 L HN 0.481 nan 8.230 nan 0.000 0.425 181 L N 6.196 127.386 121.223 -0.055 0.000 2.333 181 L HA 0.797 5.136 4.340 -0.001 0.000 0.280 181 L C -1.463 175.391 176.870 -0.028 0.000 1.004 181 L CA -0.451 54.366 54.840 -0.038 0.000 0.820 181 L CB 1.767 43.827 42.059 0.003 0.000 1.247 181 L HN 0.458 nan 8.230 nan 0.000 0.416 182 V N 3.634 123.508 119.914 -0.065 0.000 2.686 182 V HA 0.306 4.425 4.120 -0.001 0.000 0.306 182 V C -0.855 175.065 176.094 -0.290 0.000 1.065 182 V CA -0.754 61.480 62.300 -0.110 0.000 0.894 182 V CB 1.933 33.685 31.823 -0.118 0.000 1.004 182 V HN 0.689 nan 8.190 nan 0.000 0.424 183 D N 3.295 123.480 120.400 -0.359 0.000 2.325 183 D HA 0.212 4.851 4.640 -0.001 0.000 0.251 183 D C 0.680 176.768 176.300 -0.353 0.000 1.196 183 D CA 0.068 53.584 54.000 -0.805 0.000 0.866 183 D CB 1.768 42.371 40.800 -0.328 0.000 1.101 183 D HN 0.763 nan 8.370 nan 0.000 0.476 184 T N 0.493 114.863 114.554 -0.307 0.000 3.331 184 T HA 0.130 4.479 4.350 -0.001 0.000 0.282 184 T C 1.603 176.275 174.700 -0.047 0.000 1.010 184 T CA -0.378 61.724 62.100 0.003 0.000 0.928 184 T CB 0.057 69.079 68.868 0.257 0.000 1.154 184 T HN 0.119 nan 8.240 nan 0.000 0.516 185 V N 1.763 121.600 119.914 -0.129 0.000 2.332 185 V HA -0.132 3.987 4.120 -0.001 0.000 0.248 185 V C 2.603 178.648 176.094 -0.083 0.000 1.055 185 V CA 2.281 64.530 62.300 -0.084 0.000 1.038 185 V CB -0.604 31.161 31.823 -0.097 0.000 0.651 185 V HN 0.629 nan 8.190 nan 0.000 0.450 186 T N -1.119 113.380 114.554 -0.092 0.000 3.069 186 T HA 0.049 4.398 4.350 -0.001 0.000 0.252 186 T C 1.706 176.366 174.700 -0.066 0.000 1.053 186 T CA 0.818 62.875 62.100 -0.071 0.000 0.964 186 T CB 0.192 69.012 68.868 -0.080 0.000 1.005 186 T HN 0.685 nan 8.240 nan 0.000 0.532 187 S N 0.563 116.232 115.700 -0.052 0.000 2.499 187 S HA 0.261 4.730 4.470 -0.001 0.000 0.225 187 S C 0.638 175.208 174.600 -0.052 0.000 1.050 187 S CA -0.463 57.711 58.200 -0.044 0.000 0.928 187 S CB -0.367 62.871 63.200 0.062 0.000 0.803 187 S HN 0.273 nan 8.310 nan 0.000 0.506 188 L N 3.413 124.599 121.223 -0.062 0.000 2.513 188 L HA 0.497 4.836 4.340 -0.001 0.000 0.272 188 L C 1.278 178.075 176.870 -0.122 0.000 1.187 188 L CA 1.587 56.345 54.840 -0.136 0.000 0.895 188 L CB -0.307 41.552 42.059 -0.333 0.000 1.147 188 L HN 0.590 nan 8.230 nan 0.000 0.483 189 G N 3.049 111.818 108.800 -0.052 0.000 2.284 189 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.247 189 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.247 189 G C 0.776 175.623 174.900 -0.088 0.000 1.012 189 G CA 0.324 45.408 45.100 -0.027 0.000 0.618 189 G HN 1.350 nan 8.290 nan 0.000 0.521 190 G N -1.082 107.558 108.800 -0.266 0.000 2.945 190 G HA2 0.524 4.484 3.960 -0.001 0.000 0.225 190 G HA3 0.524 4.484 3.960 -0.001 0.000 0.225 190 G C -0.031 174.691 174.900 -0.297 0.000 1.046 190 G CA 0.930 45.577 45.100 -0.755 0.000 0.842 190 G HN 1.140 nan 8.290 nan 0.000 0.543 191 V N 1.215 120.965 119.914 -0.274 0.000 2.709 191 V HA 0.393 4.512 4.120 -0.001 0.000 0.308 191 V C -2.523 173.065 176.094 -0.843 0.000 1.062 191 V CA -1.936 60.127 62.300 -0.394 0.000 0.901 191 V CB 2.731 34.434 31.823 -0.199 0.000 1.003 191 V HN -0.083 nan 8.190 nan 0.000 0.425 192 P HA 0.275 nan 4.420 nan 0.000 0.263 192 P C -0.896 175.914 177.300 -0.816 0.000 1.195 192 P CA 0.517 62.466 63.100 -1.920 0.000 0.762 192 P CB 0.249 31.189 31.700 -1.268 0.000 0.799 193 I N 3.679 123.687 120.570 -0.937 0.000 2.533 193 I HA 0.366 4.535 4.170 -0.001 0.000 0.290 193 I C -0.628 174.737 176.117 -1.254 0.000 1.056 193 I CA -0.568 60.259 61.300 -0.789 0.000 1.057 193 I CB 1.801 39.672 38.000 -0.214 0.000 1.240 193 I HN 0.149 nan 8.210 nan 0.000 0.423 194 F N 5.986 125.045 119.950 -1.485 0.000 2.564 194 F HA 0.389 4.915 4.527 -0.002 0.000 0.361 194 F C 0.963 176.178 175.800 -0.975 0.000 1.161 194 F CA -0.475 56.890 58.000 -1.059 0.000 1.198 194 F CB 0.745 39.101 39.000 -1.073 0.000 1.424 194 F HN 0.368 nan 8.300 nan 0.000 0.517 195 L N 0.360 121.319 121.223 -0.440 0.000 2.012 195 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 195 L C 1.645 178.408 176.870 -0.179 0.000 1.073 195 L CA 1.488 56.143 54.840 -0.309 0.000 0.748 195 L CB -0.127 41.666 42.059 -0.444 0.000 0.891 195 L HN 0.403 nan 8.230 nan 0.000 0.431 196 D N 0.044 120.348 120.400 -0.159 0.000 2.097 196 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 196 D C 2.239 178.511 176.300 -0.048 0.000 0.984 196 D CA 1.445 55.390 54.000 -0.092 0.000 0.826 196 D CB -0.143 40.613 40.800 -0.073 0.000 0.973 196 D HN 0.268 nan 8.370 nan 0.000 0.460 197 A N 0.495 123.267 122.820 -0.079 0.000 1.940 197 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 197 A C 1.576 179.244 177.584 0.140 0.000 1.176 197 A CA 1.050 53.065 52.037 -0.037 0.000 0.631 197 A CB -0.921 17.987 19.000 -0.153 0.000 0.814 197 A HN 0.281 nan 8.150 nan 0.000 0.446 198 W N -0.927 120.362 121.300 -0.019 0.000 3.180 198 W HA 0.355 5.015 4.660 -0.001 0.000 0.254 198 W C 1.557 178.036 176.519 -0.067 0.000 1.318 198 W CA 0.077 57.395 57.345 -0.045 0.000 1.608 198 W CB -1.223 28.199 29.460 -0.063 0.000 1.124 198 W HN 0.609 nan 8.180 nan 0.000 0.694 199 G N 1.071 109.947 108.800 0.126 0.000 2.249 199 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.273 199 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.273 199 G C 0.054 174.954 174.900 0.001 0.000 1.036 199 G CA 0.163 45.285 45.100 0.037 0.000 0.824 199 G HN 0.013 nan 8.290 nan 0.000 0.504 200 V N 0.343 120.247 119.914 -0.016 0.000 2.637 200 V HA 0.196 4.315 4.120 -0.001 0.000 0.296 200 V C 1.163 177.171 176.094 -0.143 0.000 1.046 200 V CA 0.523 62.772 62.300 -0.084 0.000 1.066 200 V CB 1.397 33.142 31.823 -0.130 0.000 0.968 200 V HN 0.379 nan 8.190 nan 0.000 0.483 201 D N 2.996 123.312 120.400 -0.139 0.000 2.379 201 D HA 0.199 4.838 4.640 -0.001 0.000 0.218 201 D C -0.114 176.059 176.300 -0.211 0.000 1.006 201 D CA 0.711 54.622 54.000 -0.148 0.000 0.893 201 D CB 0.888 41.631 40.800 -0.096 0.000 1.019 201 D HN 0.276 nan 8.370 nan 0.000 0.503 202 L N 0.223 121.310 121.223 -0.226 0.000 2.431 202 L HA 0.642 4.981 4.340 -0.001 0.000 0.266 202 L C -0.773 175.902 176.870 -0.326 0.000 0.978 202 L CA -0.691 53.958 54.840 -0.317 0.000 0.822 202 L CB 2.530 44.466 42.059 -0.206 0.000 1.310 202 L HN -0.180 nan 8.230 nan 0.000 0.409 203 A N 1.787 124.314 122.820 -0.488 0.000 2.556 203 A HA 0.930 5.250 4.320 -0.001 0.000 0.294 203 A C -1.898 175.620 177.584 -0.109 0.000 1.091 203 A CA -0.520 51.289 52.037 -0.380 0.000 0.704 203 A CB 1.641 20.228 19.000 -0.689 0.000 1.300 203 A HN 0.704 nan 8.150 nan 0.000 0.406 204 Y N -1.284 119.093 120.300 0.129 0.000 2.562 204 Y HA 0.888 5.438 4.550 -0.001 0.000 0.345 204 Y C -0.054 176.070 175.900 0.373 0.000 1.045 204 Y CA -0.608 57.690 58.100 0.330 0.000 1.028 204 Y CB 1.173 39.765 38.460 0.220 0.000 1.297 204 Y HN 0.863 nan 8.280 nan 0.000 0.463 205 S N 0.229 116.146 115.700 0.363 0.000 2.998 205 S HA 0.847 5.317 4.470 -0.001 0.000 0.321 205 S C -1.073 173.590 174.600 0.105 0.000 1.171 205 S CA -0.005 58.247 58.200 0.086 0.000 0.882 205 S CB 0.876 63.955 63.200 -0.202 0.000 1.301 205 S HN 1.506 nan 8.310 nan 0.000 0.629 206 C N 0.603 119.905 119.300 0.004 0.000 3.213 206 C HA 0.882 5.341 4.460 -0.001 0.000 0.319 206 C C 1.326 176.306 174.990 -0.017 0.000 1.386 206 C CA 0.205 59.241 59.018 0.030 0.000 1.494 206 C CB 0.675 28.442 27.740 0.044 0.000 1.905 206 C HN 0.914 nan 8.230 nan 0.000 0.456 207 S N -0.078 115.633 115.700 0.018 0.000 2.511 207 S HA -0.024 4.445 4.470 -0.001 0.000 0.214 207 S C 1.212 175.829 174.600 0.029 0.000 0.997 207 S CA 0.516 58.722 58.200 0.010 0.000 0.908 207 S CB -0.301 62.922 63.200 0.039 0.000 0.803 207 S HN 0.975 nan 8.310 nan 0.000 0.504 208 Q N 1.122 120.948 119.800 0.042 0.000 2.280 208 Q HA 0.312 4.651 4.340 -0.001 0.000 0.201 208 Q C 0.546 176.583 176.000 0.062 0.000 0.890 208 Q CA 0.075 55.912 55.803 0.058 0.000 0.947 208 Q CB 0.070 28.847 28.738 0.065 0.000 1.081 208 Q HN 0.494 nan 8.270 nan 0.000 0.502 209 K N 0.150 120.578 120.400 0.047 0.000 4.643 209 K HA 0.318 4.637 4.320 -0.001 0.000 0.226 209 K C 1.769 178.419 176.600 0.083 0.000 1.147 209 K CA 0.215 56.539 56.287 0.061 0.000 1.941 209 K CB -0.579 31.939 32.500 0.031 0.000 2.803 209 K HN 0.077 nan 8.250 nan 0.000 0.590 210 G N 1.636 110.465 108.800 0.048 0.000 2.448 210 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.219 210 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.219 210 G C 1.352 176.290 174.900 0.063 0.000 1.127 210 G CA 0.780 45.916 45.100 0.060 0.000 0.766 210 G HN 0.089 nan 8.290 nan 0.000 0.552 211 L N 0.223 121.456 121.223 0.016 0.000 2.478 211 L HA 0.191 4.530 4.340 -0.001 0.000 0.223 211 L C 2.043 178.944 176.870 0.051 0.000 1.140 211 L CA 0.414 55.257 54.840 0.004 0.000 0.842 211 L CB -0.303 41.727 42.059 -0.049 0.000 0.953 211 L HN 0.358 nan 8.230 nan 0.000 0.452 212 G N -0.024 108.832 108.800 0.093 0.000 2.221 212 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.265 212 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.265 212 G C -0.011 174.938 174.900 0.082 0.000 1.041 212 G CA 0.325 45.502 45.100 0.130 0.000 0.807 212 G HN 0.402 nan 8.290 nan 0.000 0.502 213 C N -0.860 118.478 119.300 0.063 0.000 2.871 213 C HA 0.895 5.354 4.460 -0.001 0.000 0.351 213 C C 1.328 176.356 174.990 0.063 0.000 1.338 213 C CA 0.306 59.358 59.018 0.055 0.000 1.686 213 C CB 1.518 29.287 27.740 0.048 0.000 2.135 213 C HN 0.845 nan 8.230 nan 0.000 0.476 214 S N 1.646 117.389 115.700 0.071 0.000 2.592 214 S HA 0.509 4.978 4.470 -0.001 0.000 0.271 214 S C -2.568 172.084 174.600 0.086 0.000 1.326 214 S CA -0.630 57.616 58.200 0.076 0.000 1.024 214 S CB 0.702 63.950 63.200 0.081 0.000 0.921 214 S HN 0.630 nan 8.310 nan 0.000 0.527 215 P HA 0.320 nan 4.420 nan 0.000 0.268 215 P C 0.459 177.828 177.300 0.115 0.000 1.205 215 P CA 0.388 63.544 63.100 0.094 0.000 0.771 215 P CB 0.568 32.322 31.700 0.089 0.000 0.858 216 G N 0.915 109.793 108.800 0.131 0.000 2.370 216 G HA2 0.098 4.057 3.960 -0.001 0.000 0.174 216 G HA3 0.098 4.057 3.960 -0.001 0.000 0.174 216 G C 0.017 175.050 174.900 0.222 0.000 1.002 216 G CA 0.093 45.293 45.100 0.167 0.000 0.730 216 G HN 0.772 nan 8.290 nan 0.000 0.497 217 A N 0.841 123.776 122.820 0.191 0.000 2.842 217 A HA 0.774 5.093 4.320 -0.001 0.000 0.339 217 A C 0.085 177.723 177.584 0.090 0.000 1.177 217 A CA 0.143 52.300 52.037 0.201 0.000 0.797 217 A CB 0.639 19.754 19.000 0.193 0.000 1.094 217 A HN 0.701 nan 8.150 nan 0.000 0.474 218 S N 3.275 119.041 115.700 0.109 0.000 2.438 218 S HA 0.515 4.984 4.470 -0.001 0.000 0.293 218 S C -2.656 171.988 174.600 0.074 0.000 1.141 218 S CA -0.950 57.301 58.200 0.086 0.000 1.080 218 S CB 0.966 64.249 63.200 0.139 0.000 0.978 218 S HN 0.492 nan 8.310 nan 0.000 0.479 219 P HA 0.246 nan 4.420 nan 0.000 0.266 219 P C -0.916 176.609 177.300 0.375 0.000 1.195 219 P CA -0.001 63.077 63.100 -0.037 0.000 0.768 219 P CB 0.252 31.589 31.700 -0.605 0.000 0.838 220 F N 1.772 121.905 119.950 0.304 0.000 2.596 220 F HA 0.626 5.153 4.527 -0.001 0.000 0.311 220 F C -0.749 175.139 175.800 0.147 0.000 1.116 220 F CA -0.104 58.060 58.000 0.274 0.000 0.957 220 F CB 1.920 40.947 39.000 0.045 0.000 1.250 220 F HN 0.266 nan 8.300 nan 0.000 0.444 224 S N 0.754 116.419 115.700 -0.060 0.000 2.370 224 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 224 S C 1.843 176.422 174.600 -0.035 0.000 1.033 224 S CA 1.637 59.813 58.200 -0.039 0.000 1.011 224 S CB -0.546 62.635 63.200 -0.031 0.000 0.852 224 S HN 0.662 nan 8.310 nan 0.000 0.457 225 R N 1.132 121.608 120.500 -0.039 0.000 2.091 225 R HA -0.043 4.296 4.340 -0.001 0.000 0.238 225 R C 2.571 178.851 176.300 -0.032 0.000 1.136 225 R CA 1.346 57.427 56.100 -0.031 0.000 0.959 225 R CB -0.497 29.784 30.300 -0.032 0.000 0.856 225 R HN 0.429 nan 8.270 nan 0.000 0.437 226 A N 0.843 123.636 122.820 -0.046 0.000 1.930 226 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 226 A C 2.120 179.689 177.584 -0.025 0.000 1.175 226 A CA 1.104 53.115 52.037 -0.043 0.000 0.627 226 A CB -0.381 18.575 19.000 -0.073 0.000 0.815 226 A HN 0.186 nan 8.150 nan 0.000 0.443 227 I N -0.444 120.112 120.570 -0.024 0.000 2.315 227 I HA -0.247 3.923 4.170 -0.001 0.000 0.248 227 I C 2.453 178.564 176.117 -0.009 0.000 1.117 227 I CA 1.423 62.716 61.300 -0.011 0.000 1.404 227 I CB -0.362 37.631 38.000 -0.011 0.000 1.071 227 I HN 0.420 nan 8.210 nan 0.000 0.419 228 E N 0.715 120.907 120.200 -0.012 0.000 2.085 228 E HA -0.311 4.038 4.350 -0.001 0.000 0.194 228 E C 2.123 178.720 176.600 -0.006 0.000 0.994 228 E CA 1.418 57.813 56.400 -0.008 0.000 0.801 228 E CB -0.073 29.621 29.700 -0.010 0.000 0.743 228 E HN 0.344 nan 8.360 nan 0.000 0.453 229 K N 0.799 121.194 120.400 -0.007 0.000 2.026 229 K HA -0.183 4.136 4.320 -0.001 0.000 0.208 229 K C 2.191 178.790 176.600 -0.002 0.000 1.048 229 K CA 0.905 57.190 56.287 -0.004 0.000 0.929 229 K CB -0.140 32.356 32.500 -0.007 0.000 0.713 229 K HN 0.031 nan 8.250 nan 0.000 0.439 230 L N 1.645 122.866 121.223 -0.003 0.000 2.042 230 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 230 L C 1.991 178.859 176.870 -0.003 0.000 1.076 230 L CA 1.779 56.617 54.840 -0.003 0.000 0.749 230 L CB -0.453 41.604 42.059 -0.002 0.000 0.893 230 L HN 0.289 nan 8.230 nan 0.000 0.432 231 Q N -0.429 119.369 119.800 -0.003 0.000 2.291 231 Q HA -0.151 4.188 4.340 -0.001 0.000 0.205 231 Q C 1.733 177.734 176.000 0.002 0.000 0.970 231 Q CA 1.411 57.213 55.803 -0.001 0.000 0.876 231 Q CB -0.095 28.643 28.738 -0.001 0.000 0.935 231 Q HN 0.655 nan 8.270 nan 0.000 0.455 232 R N 0.090 120.592 120.500 0.003 0.000 2.334 232 R HA 0.183 4.522 4.340 -0.001 0.000 0.220 232 R C 0.045 176.350 176.300 0.009 0.000 0.917 232 R CA -0.277 55.826 56.100 0.006 0.000 1.073 232 R CB 0.148 30.451 30.300 0.006 0.000 1.056 232 R HN -0.056 nan 8.270 nan 0.000 0.506 233 R N 1.200 121.705 120.500 0.009 0.000 2.638 233 R HA -0.028 4.312 4.340 -0.001 0.000 0.268 233 R C 0.710 177.020 176.300 0.016 0.000 1.006 233 R CA 0.354 56.462 56.100 0.014 0.000 1.088 233 R CB 0.640 30.948 30.300 0.013 0.000 0.950 233 R HN 0.099 nan 8.270 nan 0.000 0.419 234 R N 0.105 120.617 120.500 0.021 0.000 2.246 234 R HA 0.025 4.365 4.340 -0.001 0.000 0.199 234 R C 0.875 177.191 176.300 0.026 0.000 0.984 234 R CA 1.057 57.169 56.100 0.021 0.000 1.015 234 R CB -0.384 29.929 30.300 0.021 0.000 0.930 234 R HN 0.891 nan 8.270 nan 0.000 0.475 235 T N -2.017 112.555 114.554 0.030 0.000 2.901 235 T HA 0.495 4.845 4.350 -0.001 0.000 0.293 235 T C -0.502 174.220 174.700 0.036 0.000 1.084 235 T CA -1.106 61.016 62.100 0.036 0.000 1.008 235 T CB 1.881 70.776 68.868 0.044 0.000 1.170 235 T HN 0.039 nan 8.240 nan 0.000 0.509 236 K N 0.983 121.408 120.400 0.042 0.000 2.440 236 K HA 0.274 4.594 4.320 -0.001 0.000 0.270 236 K C 0.032 176.660 176.600 0.047 0.000 0.980 236 K CA -0.541 55.769 56.287 0.038 0.000 0.953 236 K CB 0.332 32.865 32.500 0.056 0.000 0.925 236 K HN 0.397 nan 8.250 nan 0.000 0.497 237 V N 2.121 122.049 119.914 0.024 0.000 2.617 237 V HA -0.071 4.049 4.120 -0.001 0.000 0.304 237 V C 0.889 177.040 176.094 0.095 0.000 1.040 237 V CA 0.396 62.717 62.300 0.036 0.000 1.149 237 V CB 0.735 32.544 31.823 -0.023 0.000 0.914 237 V HN 0.908 nan 8.190 nan 0.000 0.487 238 A N 5.195 128.116 122.820 0.169 0.000 3.019 238 A HA 0.313 4.632 4.320 -0.001 0.000 0.262 238 A C 0.583 178.333 177.584 0.276 0.000 1.509 238 A CA 0.074 52.237 52.037 0.211 0.000 1.159 238 A CB -0.734 18.395 19.000 0.215 0.000 1.042 238 A HN 0.770 nan 8.150 nan 0.000 0.641 239 N N -1.127 117.707 118.700 0.224 0.000 2.752 239 N HA 0.003 4.742 4.740 -0.001 0.000 0.268 239 N C -0.330 175.313 175.510 0.222 0.000 1.190 239 N CA -0.443 52.754 53.050 0.245 0.000 0.897 239 N CB 0.442 39.068 38.487 0.231 0.000 1.515 239 N HN 0.368 nan 8.380 nan 0.000 0.567 240 W N 3.407 124.789 121.300 0.136 0.000 2.407 240 W HA -0.040 4.619 4.660 -0.001 0.000 0.305 240 W C 1.630 178.299 176.519 0.250 0.000 1.196 240 W CA 1.181 58.618 57.345 0.152 0.000 1.311 240 W CB -0.152 29.373 29.460 0.109 0.000 1.135 240 W HN 0.709 nan 8.180 nan 0.000 0.514 241 Y N 0.151 120.707 120.300 0.426 0.000 2.333 241 Y HA -0.093 4.456 4.550 -0.001 0.000 0.290 241 Y C 1.502 177.504 175.900 0.171 0.000 1.144 241 Y CA 1.708 59.997 58.100 0.315 0.000 1.228 241 Y CB -0.257 38.296 38.460 0.154 0.000 0.985 241 Y HN -0.116 nan 8.280 nan 0.000 0.542 242 L N -0.114 121.170 121.223 0.101 0.000 2.910 242 L HA 0.174 4.514 4.340 -0.001 0.000 0.252 242 L C 0.333 177.065 176.870 -0.230 0.000 1.195 242 L CA -0.291 54.470 54.840 -0.133 0.000 1.003 242 L CB -0.151 41.860 42.059 -0.080 0.000 1.328 242 L HN 0.006 nan 8.230 nan 0.000 0.540 246 L N 0.917 121.979 121.223 -0.268 0.000 2.200 246 L HA 0.245 4.584 4.340 -0.001 0.000 0.200 246 L C 1.796 178.467 176.870 -0.331 0.000 1.072 246 L CA 0.692 55.339 54.840 -0.322 0.000 0.787 246 L CB -0.229 41.507 42.059 -0.538 0.000 0.957 246 L HN 0.103 nan 8.230 nan 0.000 0.459 247 L N 0.141 121.098 121.223 -0.444 0.000 2.131 247 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 247 L C 2.577 179.522 176.870 0.125 0.000 1.092 247 L CA 1.224 55.953 54.840 -0.184 0.000 0.759 247 L CB -0.857 41.075 42.059 -0.213 0.000 0.903 247 L HN 0.321 nan 8.230 nan 0.000 0.435 248 G N -0.157 108.654 108.800 0.017 0.000 2.448 248 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 248 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 248 G C 1.631 176.604 174.900 0.122 0.000 1.127 248 G CA 0.409 45.557 45.100 0.080 0.000 0.766 248 G HN 0.343 nan 8.290 nan 0.000 0.552 249 K N -1.010 119.446 120.400 0.094 0.000 2.366 249 K HA 0.060 4.379 4.320 -0.001 0.000 0.198 249 K C 1.889 178.604 176.600 0.192 0.000 1.044 249 K CA 0.298 56.653 56.287 0.113 0.000 0.973 249 K CB -0.019 32.526 32.500 0.075 0.000 0.767 249 K HN 0.397 nan 8.250 nan 0.000 0.475 250 Y N -0.493 119.852 120.300 0.075 0.000 2.262 250 Y HA -0.048 4.501 4.550 -0.001 0.000 0.295 250 Y C 1.154 177.049 175.900 -0.009 0.000 1.121 250 Y CA 0.539 58.659 58.100 0.034 0.000 1.144 250 Y CB -0.242 38.231 38.460 0.022 0.000 1.043 250 Y HN -0.012 nan 8.280 nan 0.000 0.528 251 W N 1.248 122.499 121.300 -0.081 0.000 2.678 251 W HA 0.234 4.893 4.660 -0.002 0.000 0.256 251 W C 1.563 178.031 176.519 -0.084 0.000 1.280 251 W CA 0.882 58.126 57.345 -0.168 0.000 1.345 251 W CB -0.505 28.903 29.460 -0.087 0.000 1.118 251 W HN 0.116 nan 8.180 nan 0.000 0.629 252 G N -0.440 108.454 108.800 0.157 0.000 2.557 252 G HA2 0.251 4.210 3.960 -0.001 0.000 0.302 252 G HA3 0.251 4.210 3.960 -0.001 0.000 0.302 252 G C 0.876 175.810 174.900 0.058 0.000 1.311 252 G CA 0.156 45.315 45.100 0.099 0.000 1.030 252 G HN 0.001 nan 8.290 nan 0.000 0.509 253 S N -1.273 114.456 115.700 0.049 0.000 2.481 253 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 253 S C 1.626 176.253 174.600 0.045 0.000 0.996 253 S CA 1.503 59.725 58.200 0.037 0.000 0.942 253 S CB -0.125 63.094 63.200 0.031 0.000 0.768 253 S HN 0.568 nan 8.310 nan 0.000 0.520 254 E N 1.269 121.504 120.200 0.059 0.000 2.150 254 E HA 0.076 4.426 4.350 -0.001 0.000 0.193 254 E C 0.309 176.961 176.600 0.087 0.000 0.985 254 E CA 0.268 56.709 56.400 0.068 0.000 0.814 254 E CB -0.215 29.529 29.700 0.073 0.000 0.752 254 E HN 0.201 nan 8.360 nan 0.000 0.466 255 R N -0.262 120.301 120.500 0.105 0.000 3.251 255 R HA -0.148 4.191 4.340 -0.001 0.000 0.249 255 R C -1.077 175.339 176.300 0.194 0.000 0.949 255 R CA 0.272 56.463 56.100 0.152 0.000 0.645 255 R CB -2.951 27.409 30.300 0.100 0.000 1.065 255 R HN 0.063 nan 8.270 nan 0.000 0.452 256 V N 2.025 122.062 119.914 0.206 0.000 2.465 256 V HA 0.141 4.260 4.120 -0.001 0.000 0.279 256 V C 0.609 176.833 176.094 0.217 0.000 1.045 256 V CA -0.854 61.560 62.300 0.191 0.000 0.938 256 V CB 1.172 33.083 31.823 0.146 0.000 0.986 256 V HN 0.295 nan 8.190 nan 0.000 0.467 257 Y N 5.079 125.436 120.300 0.093 0.000 2.620 257 Y HA 0.088 4.638 4.550 -0.001 0.000 0.330 257 Y C 1.002 176.960 175.900 0.097 0.000 1.186 257 Y CA 0.511 58.630 58.100 0.030 0.000 1.467 257 Y CB 0.184 38.685 38.460 0.069 0.000 1.262 257 Y HN 0.807 nan 8.280 nan 0.000 0.550 258 H N 4.896 123.458 119.070 -0.848 0.000 2.162 258 H HA 0.117 4.673 4.556 -0.001 0.000 0.228 258 H C -0.546 174.327 175.328 -0.758 0.000 0.941 258 H CA 0.693 56.387 56.048 -0.590 0.000 1.213 258 H CB 0.545 30.178 29.762 -0.215 0.000 1.318 258 H HN 0.784 nan 8.280 nan 0.000 0.496 259 H N -0.035 118.622 119.070 -0.689 0.000 2.946 259 H HA 0.303 4.858 4.556 -0.001 0.000 0.365 259 H C -1.085 174.097 175.328 -0.244 0.000 1.197 259 H CA -0.659 55.147 56.048 -0.404 0.000 1.131 259 H CB 1.115 30.790 29.762 -0.145 0.000 1.849 259 H HN 0.006 nan 8.280 nan 0.000 0.555 260 T N 1.908 116.330 114.554 -0.220 0.000 2.775 260 T HA 0.402 4.751 4.350 -0.001 0.000 0.287 260 T C 0.730 175.218 174.700 -0.354 0.000 0.909 260 T CA 0.004 61.740 62.100 -0.605 0.000 1.081 260 T CB -0.557 68.019 68.868 -0.486 0.000 0.891 260 T HN 0.709 nan 8.240 nan 0.000 0.544 261 A N 6.247 128.812 122.820 -0.425 0.000 2.520 261 A HA 0.327 4.646 4.320 -0.001 0.000 0.235 261 A C -1.709 175.663 177.584 -0.353 0.000 1.065 261 A CA -1.215 50.638 52.037 -0.308 0.000 0.764 261 A CB -0.139 18.726 19.000 -0.224 0.000 1.002 261 A HN 0.511 nan 8.150 nan 0.000 0.502 262 P HA 0.070 nan 4.420 nan 0.000 0.263 262 P C 0.897 178.019 177.300 -0.297 0.000 1.601 262 P CA -0.297 62.680 63.100 -0.205 0.000 1.161 262 P CB 0.062 31.763 31.700 0.001 0.000 1.730 263 I N 2.908 123.240 120.570 -0.397 0.000 2.113 263 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 263 I C 1.600 177.417 176.117 -0.501 0.000 1.064 263 I CA 1.859 62.839 61.300 -0.533 0.000 1.320 263 I CB -1.811 35.783 38.000 -0.676 0.000 1.028 263 I HN 0.250 nan 8.210 nan 0.000 0.406 264 N N 0.505 118.981 118.700 -0.374 0.000 2.331 264 N HA -0.049 4.690 4.740 -0.001 0.000 0.180 264 N C 1.974 177.519 175.510 0.059 0.000 1.019 264 N CA 0.580 53.497 53.050 -0.222 0.000 0.881 264 N CB -0.196 38.265 38.487 -0.044 0.000 0.972 264 N HN 0.298 nan 8.380 nan 0.000 0.435 265 L N -0.514 120.773 121.223 0.107 0.000 2.109 265 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 265 L C 1.498 178.610 176.870 0.404 0.000 1.086 265 L CA 0.934 55.917 54.840 0.239 0.000 0.760 265 L CB -0.263 41.947 42.059 0.253 0.000 0.910 265 L HN 0.237 nan 8.230 nan 0.000 0.437 266 Y N -1.191 119.216 120.300 0.178 0.000 2.242 266 Y HA -0.239 4.310 4.550 -0.001 0.000 0.291 266 Y C 2.520 178.578 175.900 0.264 0.000 1.137 266 Y CA 0.328 58.561 58.100 0.222 0.000 1.181 266 Y CB -1.029 37.595 38.460 0.274 0.000 0.989 266 Y HN 0.115 nan 8.280 nan 0.000 0.527 267 Y N -0.358 120.146 120.300 0.340 0.000 2.081 267 Y HA -0.275 4.274 4.550 -0.001 0.000 0.280 267 Y C 2.673 178.650 175.900 0.128 0.000 1.163 267 Y CA 0.703 58.921 58.100 0.198 0.000 1.135 267 Y CB -1.461 37.102 38.460 0.172 0.000 0.970 267 Y HN 0.074 nan 8.280 nan 0.000 0.498 268 A N -0.255 122.757 122.820 0.320 0.000 1.902 268 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 268 A C 2.336 179.997 177.584 0.128 0.000 1.181 268 A CA 1.705 53.852 52.037 0.183 0.000 0.623 268 A CB -1.146 17.950 19.000 0.160 0.000 0.818 268 A HN 0.396 nan 8.150 nan 0.000 0.443 269 L N -0.271 121.036 121.223 0.140 0.000 2.083 269 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 269 L C 2.443 179.334 176.870 0.035 0.000 1.083 269 L CA 2.164 57.042 54.840 0.064 0.000 0.752 269 L CB -0.574 41.502 42.059 0.028 0.000 0.899 269 L HN 0.412 nan 8.230 nan 0.000 0.433 270 R N -0.312 120.228 120.500 0.067 0.000 2.081 270 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 270 R C 1.974 178.281 176.300 0.012 0.000 1.131 270 R CA 1.508 57.629 56.100 0.035 0.000 0.960 270 R CB -0.259 30.077 30.300 0.060 0.000 0.856 270 R HN 0.452 nan 8.270 nan 0.000 0.436 271 E N 0.344 120.558 120.200 0.023 0.000 2.107 271 E HA -0.078 4.271 4.350 -0.001 0.000 0.191 271 E C 1.896 178.465 176.600 -0.052 0.000 0.982 271 E CA 1.108 57.496 56.400 -0.019 0.000 0.809 271 E CB -0.250 29.445 29.700 -0.009 0.000 0.756 271 E HN 0.393 nan 8.360 nan 0.000 0.459 272 A N 1.303 124.105 122.820 -0.030 0.000 1.883 272 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 272 A C 2.385 179.945 177.584 -0.040 0.000 1.186 272 A CA 1.220 53.232 52.037 -0.042 0.000 0.624 272 A CB -0.761 18.235 19.000 -0.008 0.000 0.822 272 A HN 0.183 nan 8.150 nan 0.000 0.444 273 L N -1.176 120.030 121.223 -0.028 0.000 2.093 273 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 273 L C 2.752 179.609 176.870 -0.022 0.000 1.085 273 L CA 1.576 56.404 54.840 -0.020 0.000 0.755 273 L CB -0.459 41.590 42.059 -0.017 0.000 0.904 273 L HN 0.475 nan 8.230 nan 0.000 0.435 274 R N 0.714 121.191 120.500 -0.039 0.000 2.091 274 R HA -0.191 4.148 4.340 -0.001 0.000 0.238 274 R C 2.282 178.545 176.300 -0.063 0.000 1.136 274 R CA 1.526 57.594 56.100 -0.054 0.000 0.959 274 R CB -0.254 30.011 30.300 -0.058 0.000 0.856 274 R HN 0.315 nan 8.270 nan 0.000 0.437 275 L N 0.235 121.409 121.223 -0.081 0.000 2.056 275 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 275 L C 2.447 179.292 176.870 -0.042 0.000 1.078 275 L CA 1.143 55.926 54.840 -0.096 0.000 0.749 275 L CB -0.324 41.616 42.059 -0.198 0.000 0.901 275 L HN 0.247 nan 8.230 nan 0.000 0.433 276 I N -0.024 120.535 120.570 -0.018 0.000 2.179 276 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 276 I C 2.788 178.930 176.117 0.042 0.000 1.088 276 I CA 1.252 62.560 61.300 0.013 0.000 1.357 276 I CB -0.441 37.567 38.000 0.014 0.000 1.051 276 I HN 0.185 nan 8.210 nan 0.000 0.409 277 A N -0.095 122.747 122.820 0.036 0.000 1.972 277 A HA -0.288 4.031 4.320 -0.001 0.000 0.219 277 A C 2.317 179.856 177.584 -0.075 0.000 1.169 277 A CA 1.906 53.926 52.037 -0.028 0.000 0.635 277 A CB -0.680 18.227 19.000 -0.155 0.000 0.810 277 A HN 0.551 nan 8.150 nan 0.000 0.446 278 Q N -0.436 119.329 119.800 -0.058 0.000 2.016 278 Q HA -0.229 4.110 4.340 -0.001 0.000 0.200 278 Q C 2.101 178.078 176.000 -0.037 0.000 0.978 278 Q CA 1.792 57.562 55.803 -0.055 0.000 0.833 278 Q CB -0.233 28.477 28.738 -0.048 0.000 0.895 278 Q HN 0.782 nan 8.270 nan 0.000 0.427 279 E N -0.593 119.594 120.200 -0.021 0.000 2.085 279 E HA -0.073 4.276 4.350 -0.001 0.000 0.194 279 E C 0.091 176.673 176.600 -0.031 0.000 0.994 279 E CA 0.821 57.211 56.400 -0.016 0.000 0.801 279 E CB -0.082 29.617 29.700 -0.000 0.000 0.743 279 E HN 0.504 nan 8.360 nan 0.000 0.453 280 G N -0.491 108.295 108.800 -0.023 0.000 2.895 280 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.686 280 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.686 280 G C 0.236 175.049 174.900 -0.144 0.000 1.108 280 G CA -0.156 44.931 45.100 -0.021 0.000 0.761 280 G HN 0.211 nan 8.290 nan 0.000 0.611 281 L N 1.643 122.722 121.223 -0.239 0.000 1.971 281 L HA -0.207 4.133 4.340 -0.001 0.000 0.215 281 L C 3.431 179.650 176.870 -1.086 0.000 1.072 281 L CA 2.843 57.202 54.840 -0.801 0.000 0.758 281 L CB -0.816 40.572 42.059 -1.119 0.000 0.889 281 L HN 1.066 nan 8.230 nan 0.000 0.433 282 A N -0.022 122.366 122.820 -0.720 0.000 1.903 282 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 282 A C 2.014 179.500 177.584 -0.163 0.000 1.191 282 A CA 2.343 54.164 52.037 -0.360 0.000 0.638 282 A CB -0.726 18.202 19.000 -0.120 0.000 0.823 282 A HN 0.503 nan 8.150 nan 0.000 0.451 283 N N -0.338 118.277 118.700 -0.143 0.000 2.120 283 N HA -0.133 4.606 4.740 -0.001 0.000 0.188 283 N C 1.755 177.257 175.510 -0.013 0.000 1.024 283 N CA 1.552 54.572 53.050 -0.050 0.000 0.852 283 N CB -0.931 37.530 38.487 -0.043 0.000 1.003 283 N HN 0.539 nan 8.380 nan 0.000 0.424 284 C N 0.035 119.290 119.300 -0.075 0.000 2.413 284 C HA -0.117 4.342 4.460 -0.001 0.000 0.276 284 C C 2.475 177.624 174.990 0.265 0.000 1.248 284 C CA 0.235 59.288 59.018 0.058 0.000 1.742 284 C CB -1.243 26.460 27.740 -0.061 0.000 2.017 284 C HN 0.566 nan 8.230 nan 0.000 0.481 285 W N 0.688 122.021 121.300 0.055 0.000 2.388 285 W HA -0.061 4.599 4.660 -0.001 0.000 0.294 285 W C 2.492 179.055 176.519 0.073 0.000 1.212 285 W CA 0.672 58.037 57.345 0.033 0.000 1.271 285 W CB -1.477 27.979 29.460 -0.007 0.000 1.126 285 W HN 0.524 nan 8.180 nan 0.000 0.535 286 Q N -0.090 119.876 119.800 0.277 0.000 2.079 286 Q HA -0.177 4.162 4.340 -0.001 0.000 0.200 286 Q C 2.329 178.395 176.000 0.111 0.000 0.974 286 Q CA 1.648 57.549 55.803 0.163 0.000 0.840 286 Q CB -0.433 28.368 28.738 0.104 0.000 0.898 286 Q HN 0.209 nan 8.270 nan 0.000 0.430 287 R N -0.080 120.482 120.500 0.104 0.000 2.083 287 R HA -0.212 4.127 4.340 -0.001 0.000 0.237 287 R C 1.818 178.120 176.300 0.002 0.000 1.137 287 R CA 1.864 57.978 56.100 0.023 0.000 0.951 287 R CB -0.142 30.155 30.300 -0.006 0.000 0.851 287 R HN 0.358 nan 8.270 nan 0.000 0.434 288 H N -0.642 118.449 119.070 0.035 0.000 2.387 288 H HA -0.114 4.442 4.556 -0.001 0.000 0.299 288 H C 2.078 177.386 175.328 -0.034 0.000 1.090 288 H CA 1.845 57.903 56.048 0.016 0.000 1.332 288 H CB -0.006 29.794 29.762 0.064 0.000 1.386 288 H HN 0.263 nan 8.280 nan 0.000 0.516 289 Q N 1.054 120.915 119.800 0.101 0.000 2.083 289 Q HA -0.108 4.231 4.340 -0.001 0.000 0.198 289 Q C 2.179 178.106 176.000 -0.122 0.000 0.969 289 Q CA 1.574 57.364 55.803 -0.021 0.000 0.838 289 Q CB 0.025 28.780 28.738 0.028 0.000 0.900 289 Q HN 0.338 nan 8.270 nan 0.000 0.436 290 K N -0.407 119.954 120.400 -0.066 0.000 2.057 290 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 290 K C 1.629 178.160 176.600 -0.115 0.000 1.049 290 K CA 1.512 57.746 56.287 -0.088 0.000 0.931 290 K CB -0.084 32.381 32.500 -0.059 0.000 0.714 290 K HN 0.249 nan 8.250 nan 0.000 0.440 291 N N 0.627 119.262 118.700 -0.110 0.000 2.142 291 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 291 N C 1.769 177.204 175.510 -0.124 0.000 1.023 291 N CA 0.922 53.918 53.050 -0.090 0.000 0.852 291 N CB -0.392 38.028 38.487 -0.111 0.000 0.998 291 N HN 0.035 nan 8.380 nan 0.000 0.424 292 V N 1.782 121.549 119.914 -0.244 0.000 2.490 292 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 292 V C 1.829 177.352 176.094 -0.952 0.000 1.061 292 V CA 1.669 63.687 62.300 -0.471 0.000 1.064 292 V CB -0.224 31.353 31.823 -0.409 0.000 0.670 292 V HN 0.285 nan 8.190 nan 0.000 0.461 293 E N -1.250 118.469 120.200 -0.802 0.000 2.106 293 E HA -0.239 4.111 4.350 -0.001 0.000 0.192 293 E C 2.042 178.522 176.600 -0.199 0.000 0.984 293 E CA 1.574 57.573 56.400 -0.669 0.000 0.806 293 E CB -0.251 29.237 29.700 -0.354 0.000 0.750 293 E HN 0.796 nan 8.360 nan 0.000 0.458 294 Y N 1.433 121.597 120.300 -0.228 0.000 2.145 294 Y HA -0.237 4.313 4.550 -0.001 0.000 0.286 294 Y C 2.155 178.014 175.900 -0.068 0.000 1.145 294 Y CA 1.189 59.224 58.100 -0.109 0.000 1.148 294 Y CB -0.432 37.968 38.460 -0.101 0.000 0.981 294 Y HN 0.032 nan 8.280 nan 0.000 0.507 295 L N -0.328 120.814 121.223 -0.134 0.000 1.997 295 L HA -0.287 4.053 4.340 -0.001 0.000 0.216 295 L C 2.053 178.938 176.870 0.026 0.000 1.074 295 L CA 2.269 57.040 54.840 -0.115 0.000 0.763 295 L CB -1.192 40.843 42.059 -0.039 0.000 0.890 295 L HN 0.366 nan 8.230 nan 0.000 0.434 296 W N 0.011 121.287 121.300 -0.040 0.000 2.342 296 W HA -0.149 4.511 4.660 -0.001 0.000 0.297 296 W C 2.768 179.255 176.519 -0.053 0.000 1.213 296 W CA 1.381 58.711 57.345 -0.026 0.000 1.251 296 W CB -1.594 27.867 29.460 0.003 0.000 1.136 296 W HN 0.192 nan 8.180 nan 0.000 0.526 297 E N -0.013 120.271 120.200 0.141 0.000 2.047 297 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 297 E C 2.072 178.637 176.600 -0.057 0.000 0.987 297 E CA 1.187 57.610 56.400 0.038 0.000 0.799 297 E CB -0.502 29.209 29.700 0.019 0.000 0.752 297 E HN 0.176 nan 8.360 nan 0.000 0.449 298 R N 0.121 120.501 120.500 -0.201 0.000 2.096 298 R HA 0.037 4.376 4.340 -0.001 0.000 0.235 298 R C 2.570 178.810 176.300 -0.099 0.000 1.127 298 R CA 0.948 56.916 56.100 -0.220 0.000 0.968 298 R CB -0.939 29.123 30.300 -0.396 0.000 0.861 298 R HN 0.341 nan 8.270 nan 0.000 0.440 299 L N 0.518 121.715 121.223 -0.043 0.000 2.027 299 L HA -0.142 4.197 4.340 -0.001 0.000 0.206 299 L C 2.648 179.529 176.870 0.019 0.000 1.074 299 L CA 1.345 56.189 54.840 0.007 0.000 0.745 299 L CB -0.503 41.596 42.059 0.067 0.000 0.898 299 L HN 0.258 nan 8.230 nan 0.000 0.433 300 E N 0.369 120.588 120.200 0.031 0.000 2.097 300 E HA -0.288 4.061 4.350 -0.001 0.000 0.196 300 E C 1.643 178.249 176.600 0.010 0.000 1.000 300 E CA 1.766 58.181 56.400 0.025 0.000 0.804 300 E CB 0.034 29.755 29.700 0.035 0.000 0.740 300 E HN 0.424 nan 8.360 nan 0.000 0.454 301 D N 0.407 120.805 120.400 -0.005 0.000 2.158 301 D HA -0.191 4.448 4.640 -0.001 0.000 0.197 301 D C 1.857 178.150 176.300 -0.010 0.000 0.995 301 D CA 1.524 55.517 54.000 -0.012 0.000 0.846 301 D CB -0.255 40.526 40.800 -0.032 0.000 0.941 301 D HN 0.533 nan 8.370 nan 0.000 0.456 302 I N -4.390 116.172 120.570 -0.013 0.000 3.904 302 I HA 0.401 4.571 4.170 -0.001 0.000 0.333 302 I C 1.017 177.139 176.117 0.010 0.000 1.361 302 I CA 0.177 61.471 61.300 -0.009 0.000 1.116 302 I CB 0.237 38.220 38.000 -0.027 0.000 1.028 302 I HN -0.023 nan 8.210 nan 0.000 0.398 303 G N 1.921 110.730 108.800 0.016 0.000 2.147 303 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.244 303 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.244 303 G C -0.167 174.758 174.900 0.043 0.000 1.005 303 G CA 0.164 45.279 45.100 0.026 0.000 0.713 303 G HN 0.429 nan 8.290 nan 0.000 0.515 304 L N 0.713 121.967 121.223 0.052 0.000 2.322 304 L HA 0.682 5.021 4.340 -0.001 0.000 0.279 304 L C 0.577 177.484 176.870 0.063 0.000 1.036 304 L CA -0.778 54.112 54.840 0.084 0.000 0.807 304 L CB 1.914 44.048 42.059 0.125 0.000 1.226 304 L HN 0.137 nan 8.230 nan 0.000 0.433 305 S N 2.267 118.003 115.700 0.060 0.000 2.690 305 S HA 0.702 5.171 4.470 -0.001 0.000 0.291 305 S C -0.409 174.209 174.600 0.031 0.000 1.138 305 S CA -0.648 57.569 58.200 0.027 0.000 1.013 305 S CB 1.600 64.810 63.200 0.016 0.000 1.053 305 S HN 0.314 nan 8.310 nan 0.000 0.539 306 L N 1.344 122.555 121.223 -0.020 0.000 2.325 306 L HA 0.437 4.777 4.340 -0.001 0.000 0.278 306 L C 1.012 177.887 176.870 0.008 0.000 1.023 306 L CA -0.630 54.191 54.840 -0.032 0.000 0.811 306 L CB 1.034 42.976 42.059 -0.195 0.000 1.249 306 L HN 0.789 nan 8.230 nan 0.000 0.431 307 H N 1.775 120.820 119.070 -0.043 0.000 2.403 307 H HA 0.115 4.670 4.556 -0.001 0.000 0.298 307 H C 0.093 175.403 175.328 -0.030 0.000 1.059 307 H CA 0.725 56.758 56.048 -0.024 0.000 1.363 307 H CB 0.471 30.239 29.762 0.010 0.000 1.410 307 H HN 0.244 nan 8.280 nan 0.000 0.528 308 V N 1.883 121.719 119.914 -0.129 0.000 2.481 308 V HA 0.077 4.196 4.120 -0.001 0.000 0.286 308 V C 0.281 176.278 176.094 -0.162 0.000 1.042 308 V CA -0.887 61.308 62.300 -0.174 0.000 0.928 308 V CB 1.465 33.268 31.823 -0.034 0.000 0.986 308 V HN 0.406 nan 8.190 nan 0.000 0.462 309 E N 3.386 123.518 120.200 -0.112 0.000 2.608 309 E HA -0.098 4.251 4.350 -0.001 0.000 0.259 309 E C 1.210 177.699 176.600 -0.186 0.000 0.951 309 E CA 0.172 56.504 56.400 -0.113 0.000 0.945 309 E CB 0.462 30.163 29.700 0.003 0.000 0.916 309 E HN 0.655 nan 8.360 nan 0.000 0.477 310 K N 4.064 124.314 120.400 -0.251 0.000 2.059 310 K HA -0.307 4.012 4.320 -0.001 0.000 0.212 310 K C 1.756 178.219 176.600 -0.228 0.000 1.050 310 K CA 2.186 58.295 56.287 -0.297 0.000 0.927 310 K CB -0.033 32.316 32.500 -0.252 0.000 0.714 310 K HN 0.677 nan 8.250 nan 0.000 0.447 311 E N -0.795 119.194 120.200 -0.351 0.000 2.160 311 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 311 E C 0.708 177.062 176.600 -0.409 0.000 0.991 311 E CA 1.271 57.394 56.400 -0.461 0.000 0.810 311 E CB 0.053 29.244 29.700 -0.849 0.000 0.742 311 E HN 0.473 nan 8.360 nan 0.000 0.466 312 Y N -0.249 120.034 120.300 -0.028 0.000 2.507 312 Y HA 0.302 4.851 4.550 -0.001 0.000 0.254 312 Y C 0.172 176.065 175.900 -0.011 0.000 1.171 312 Y CA -0.330 57.752 58.100 -0.029 0.000 1.238 312 Y CB 0.244 38.669 38.460 -0.057 0.000 1.148 312 Y HN -0.239 nan 8.280 nan 0.000 0.525 313 R N 1.184 121.744 120.500 0.099 0.000 2.489 313 R HA 0.239 4.578 4.340 -0.001 0.000 0.287 313 R C -0.492 175.934 176.300 0.209 0.000 1.053 313 R CA -0.164 56.022 56.100 0.143 0.000 1.036 313 R CB 0.491 30.858 30.300 0.111 0.000 0.966 313 R HN 0.158 nan 8.270 nan 0.000 0.432 314 L N 5.897 127.222 121.223 0.170 0.000 2.380 314 L HA 0.144 4.483 4.340 -0.001 0.000 0.273 314 L C -1.118 175.863 176.870 0.185 0.000 1.138 314 L CA -1.671 53.241 54.840 0.121 0.000 0.832 314 L CB 1.075 43.173 42.059 0.065 0.000 1.124 314 L HN 0.469 nan 8.230 nan 0.000 0.454 315 P HA -0.105 nan 4.420 nan 0.000 0.221 315 P C 1.178 178.555 177.300 0.129 0.000 1.150 315 P CA 1.060 64.224 63.100 0.107 0.000 0.800 315 P CB 0.004 31.754 31.700 0.083 0.000 0.787 316 T N -3.913 110.711 114.554 0.117 0.000 3.054 316 T HA 0.141 4.490 4.350 -0.001 0.000 0.259 316 T C 0.758 175.526 174.700 0.113 0.000 1.092 316 T CA 0.182 62.360 62.100 0.129 0.000 1.121 316 T CB -0.028 68.883 68.868 0.073 0.000 0.912 316 T HN -0.047 nan 8.240 nan 0.000 0.489 317 L N 1.934 123.227 121.223 0.117 0.000 2.541 317 L HA 0.454 4.793 4.340 -0.001 0.000 0.266 317 L C -1.625 175.343 176.870 0.164 0.000 0.966 317 L CA -0.114 54.800 54.840 0.124 0.000 0.871 317 L CB 1.819 43.935 42.059 0.095 0.000 1.232 317 L HN 0.065 nan 8.230 nan 0.000 0.408 318 T N 2.361 117.028 114.554 0.189 0.000 2.771 318 T HA 0.459 4.808 4.350 -0.001 0.000 0.281 318 T C 0.253 175.069 174.700 0.194 0.000 0.982 318 T CA -0.314 61.923 62.100 0.228 0.000 0.978 318 T CB 1.184 70.231 68.868 0.299 0.000 0.930 318 T HN 0.663 nan 8.240 nan 0.000 0.447 319 T N 1.037 115.701 114.554 0.182 0.000 2.743 319 T HA 0.556 4.905 4.350 -0.001 0.000 0.293 319 T C -0.008 174.794 174.700 0.170 0.000 0.945 319 T CA -0.760 61.444 62.100 0.174 0.000 1.030 319 T CB 0.459 69.431 68.868 0.173 0.000 0.912 319 T HN 0.279 nan 8.240 nan 0.000 0.483 320 V N 3.054 123.085 119.914 0.195 0.000 2.398 320 V HA 0.256 4.375 4.120 -0.001 0.000 0.286 320 V C 0.657 176.839 176.094 0.146 0.000 1.026 320 V CA -1.151 61.276 62.300 0.212 0.000 0.868 320 V CB 1.116 33.141 31.823 0.335 0.000 0.982 320 V HN 1.111 nan 8.190 nan 0.000 0.443 321 C N 5.788 125.135 119.300 0.078 0.000 2.653 321 C HA 0.323 4.782 4.460 -0.001 0.000 0.421 321 C C 0.697 175.605 174.990 -0.136 0.000 1.334 321 C CA -0.613 58.380 59.018 -0.042 0.000 1.885 321 C CB -0.863 26.872 27.740 -0.008 0.000 2.645 321 C HN 0.643 nan 8.230 nan 0.000 0.601 322 I N 5.405 125.738 120.570 -0.394 0.000 2.396 322 I HA 0.191 4.361 4.170 -0.001 0.000 0.289 322 I C -1.798 174.178 176.117 -0.236 0.000 1.056 322 I CA -1.197 59.739 61.300 -0.607 0.000 1.365 322 I CB 0.421 37.905 38.000 -0.860 0.000 1.407 322 I HN 0.454 nan 8.210 nan 0.000 0.509 323 P HA 0.054 nan 4.420 nan 0.000 0.269 323 P C -0.819 176.456 177.300 -0.043 0.000 1.215 323 P CA -0.320 62.767 63.100 -0.023 0.000 0.780 323 P CB 0.395 32.122 31.700 0.046 0.000 0.898 324 D N 0.845 121.225 120.400 -0.033 0.000 2.472 324 D HA 0.256 4.895 4.640 -0.001 0.000 0.237 324 D C 1.580 177.874 176.300 -0.011 0.000 1.141 324 D CA 1.804 55.785 54.000 -0.030 0.000 0.875 324 D CB -0.011 40.774 40.800 -0.024 0.000 1.192 324 D HN 0.672 nan 8.370 nan 0.000 0.450 325 G N 0.556 109.349 108.800 -0.011 0.000 2.176 325 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.253 325 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.253 325 G C 0.044 174.956 174.900 0.020 0.000 0.979 325 G CA 0.195 45.298 45.100 0.005 0.000 0.641 325 G HN 0.491 nan 8.290 nan 0.000 0.530 326 V N 1.126 121.051 119.914 0.018 0.000 2.448 326 V HA 0.514 4.633 4.120 -0.001 0.000 0.295 326 V C -0.392 175.721 176.094 0.032 0.000 1.025 326 V CA -0.936 61.399 62.300 0.059 0.000 0.859 326 V CB 1.922 33.816 31.823 0.117 0.000 0.988 326 V HN 0.290 nan 8.190 nan 0.000 0.431 327 D N 3.729 124.170 120.400 0.068 0.000 2.393 327 D HA 0.221 4.860 4.640 -0.001 0.000 0.232 327 D C 1.237 177.611 176.300 0.124 0.000 1.192 327 D CA 0.431 54.465 54.000 0.057 0.000 0.882 327 D CB 1.752 42.588 40.800 0.060 0.000 1.038 327 D HN 0.630 nan 8.370 nan 0.000 0.499 328 G N 3.985 112.811 108.800 0.043 0.000 2.418 328 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 328 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 328 G C 1.491 176.577 174.900 0.311 0.000 1.158 328 G CA 0.479 45.647 45.100 0.113 0.000 0.771 328 G HN 0.457 nan 8.290 nan 0.000 0.545 329 K N 0.371 120.858 120.400 0.146 0.000 2.057 329 K HA 0.091 4.410 4.320 -0.001 0.000 0.206 329 K C 2.971 179.656 176.600 0.142 0.000 1.050 329 K CA 0.868 57.239 56.287 0.139 0.000 0.935 329 K CB -0.187 32.358 32.500 0.074 0.000 0.715 329 K HN 0.258 nan 8.250 nan 0.000 0.439 330 A N 0.968 123.863 122.820 0.125 0.000 1.902 330 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 330 A C 2.329 179.985 177.584 0.120 0.000 1.181 330 A CA 1.443 53.542 52.037 0.104 0.000 0.623 330 A CB -0.686 18.366 19.000 0.086 0.000 0.818 330 A HN 0.073 nan 8.150 nan 0.000 0.443 331 V N -0.160 119.864 119.914 0.183 0.000 2.287 331 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 331 V C 3.072 179.204 176.094 0.063 0.000 1.053 331 V CA 2.058 64.440 62.300 0.137 0.000 1.027 331 V CB -1.230 30.730 31.823 0.229 0.000 0.646 331 V HN 0.629 nan 8.190 nan 0.000 0.447 332 A N -0.339 122.564 122.820 0.138 0.000 1.902 332 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 332 A C 2.373 179.994 177.584 0.062 0.000 1.181 332 A CA 1.824 53.909 52.037 0.079 0.000 0.623 332 A CB -0.502 18.600 19.000 0.170 0.000 0.818 332 A HN 0.504 nan 8.150 nan 0.000 0.443 333 R N -0.835 119.710 120.500 0.075 0.000 2.081 333 R HA -0.074 4.265 4.340 -0.001 0.000 0.235 333 R C 2.492 178.821 176.300 0.047 0.000 1.131 333 R CA 1.508 57.642 56.100 0.056 0.000 0.960 333 R CB -0.268 30.064 30.300 0.054 0.000 0.856 333 R HN 0.488 nan 8.270 nan 0.000 0.436 334 R N 0.459 120.991 120.500 0.054 0.000 2.075 334 R HA -0.060 4.279 4.340 -0.001 0.000 0.232 334 R C 2.396 178.754 176.300 0.095 0.000 1.126 334 R CA 1.048 57.182 56.100 0.058 0.000 0.963 334 R CB -0.376 29.963 30.300 0.065 0.000 0.858 334 R HN 0.191 nan 8.270 nan 0.000 0.435 335 L N 0.525 121.797 121.223 0.083 0.000 2.013 335 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 335 L C 2.458 179.383 176.870 0.092 0.000 1.073 335 L CA 1.075 55.974 54.840 0.098 0.000 0.753 335 L CB -0.456 41.585 42.059 -0.030 0.000 0.890 335 L HN 0.187 nan 8.230 nan 0.000 0.432 336 L N -0.129 121.125 121.223 0.052 0.000 1.994 336 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 336 L C 2.313 179.201 176.870 0.030 0.000 1.071 336 L CA 1.865 56.730 54.840 0.042 0.000 0.745 336 L CB -0.596 41.485 42.059 0.038 0.000 0.892 336 L HN 0.274 nan 8.230 nan 0.000 0.431 337 N N -0.604 118.107 118.700 0.018 0.000 2.250 337 N HA -0.104 4.635 4.740 -0.001 0.000 0.181 337 N C 1.621 177.101 175.510 -0.049 0.000 1.017 337 N CA 1.375 54.422 53.050 -0.006 0.000 0.866 337 N CB -0.035 38.450 38.487 -0.002 0.000 0.985 337 N HN 0.545 nan 8.380 nan 0.000 0.429 338 E N -0.586 119.561 120.200 -0.089 0.000 2.318 338 E HA 0.029 4.378 4.350 -0.001 0.000 0.193 338 E C 0.612 176.930 176.600 -0.471 0.000 0.998 338 E CA 0.588 56.824 56.400 -0.272 0.000 0.859 338 E CB 0.233 29.738 29.700 -0.325 0.000 0.812 338 E HN 0.466 nan 8.360 nan 0.000 0.492 339 H N -0.453 118.610 119.070 -0.012 0.000 3.233 339 H HA 0.191 4.746 4.556 -0.001 0.000 0.263 339 H C -0.056 175.266 175.328 -0.010 0.000 1.168 339 H CA -0.078 55.961 56.048 -0.015 0.000 1.159 339 H CB 0.803 30.549 29.762 -0.028 0.000 1.593 339 H HN 0.053 nan 8.280 nan 0.000 0.580 340 N N 0.917 119.659 118.700 0.070 0.000 2.725 340 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 340 N C -0.378 175.165 175.510 0.056 0.000 1.103 340 N CA 0.694 53.775 53.050 0.051 0.000 0.707 340 N CB -1.744 36.766 38.487 0.037 0.000 1.043 340 N HN 0.428 nan 8.380 nan 0.000 0.553 341 I N 0.556 121.163 120.570 0.061 0.000 2.406 341 I HA 0.179 4.348 4.170 -0.001 0.000 0.290 341 I C 0.584 176.714 176.117 0.023 0.000 0.999 341 I CA -0.575 60.744 61.300 0.032 0.000 1.124 341 I CB 2.036 40.039 38.000 0.005 0.000 1.289 341 I HN -0.021 nan 8.210 nan 0.000 0.441 342 E N 6.695 126.910 120.200 0.026 0.000 2.200 342 E HA 0.519 4.869 4.350 -0.001 0.000 0.283 342 E C -1.085 175.530 176.600 0.024 0.000 1.015 342 E CA -0.603 55.816 56.400 0.031 0.000 0.819 342 E CB 1.322 31.048 29.700 0.044 0.000 1.081 342 E HN 0.483 nan 8.360 nan 0.000 0.397 343 V N 1.031 120.958 119.914 0.021 0.000 3.074 343 V HA 0.863 4.982 4.120 -0.001 0.000 0.314 343 V C 0.274 176.423 176.094 0.091 0.000 1.117 343 V CA -0.630 61.693 62.300 0.037 0.000 1.014 343 V CB 1.525 33.334 31.823 -0.023 0.000 1.057 343 V HN 0.660 nan 8.190 nan 0.000 0.438 344 G N -0.157 108.721 108.800 0.129 0.000 2.451 344 G HA2 0.662 4.621 3.960 -0.001 0.000 0.303 344 G HA3 0.662 4.621 3.960 -0.001 0.000 0.303 344 G C 0.007 175.044 174.900 0.228 0.000 1.166 344 G CA -0.137 45.052 45.100 0.149 0.000 0.884 344 G HN 1.384 nan 8.290 nan 0.000 0.514 345 G N -1.152 107.753 108.800 0.174 0.000 2.552 345 G HA2 0.634 4.593 3.960 -0.001 0.000 0.318 345 G HA3 0.634 4.593 3.960 -0.001 0.000 0.318 345 G C 0.154 175.096 174.900 0.071 0.000 1.240 345 G CA -0.130 45.056 45.100 0.143 0.000 1.002 345 G HN 0.866 nan 8.290 nan 0.000 0.493 346 G N -1.421 107.381 108.800 0.003 0.000 2.451 346 G HA2 0.568 4.527 3.960 -0.001 0.000 0.303 346 G HA3 0.568 4.527 3.960 -0.001 0.000 0.303 346 G C -0.637 174.280 174.900 0.028 0.000 1.166 346 G CA -0.502 44.603 45.100 0.008 0.000 0.884 346 G HN 0.516 nan 8.290 nan 0.000 0.514 347 L N 0.247 121.531 121.223 0.103 0.000 2.309 347 L HA 0.681 5.021 4.340 -0.001 0.000 0.261 347 L C 1.272 178.170 176.870 0.047 0.000 1.021 347 L CA -0.188 54.727 54.840 0.125 0.000 0.823 347 L CB 1.805 43.985 42.059 0.201 0.000 1.366 347 L HN 0.989 nan 8.230 nan 0.000 0.423 348 G N 0.653 109.407 108.800 -0.076 0.000 2.651 348 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.315 348 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.315 348 G C 0.648 175.181 174.900 -0.612 0.000 1.258 348 G CA 0.811 45.638 45.100 -0.455 0.000 1.002 348 G HN 0.778 nan 8.290 nan 0.000 0.551 349 E N 0.288 119.814 120.200 -1.123 0.000 2.333 349 E HA 0.039 4.388 4.350 -0.001 0.000 0.198 349 E C 2.321 178.670 176.600 -0.418 0.000 1.007 349 E CA 0.885 56.850 56.400 -0.725 0.000 0.845 349 E CB -0.099 29.072 29.700 -0.882 0.000 0.766 349 E HN 0.440 nan 8.360 nan 0.000 0.507 350 L N 0.032 121.051 121.223 -0.339 0.000 2.693 350 L HA 0.263 4.603 4.340 -0.001 0.000 0.235 350 L C 0.689 177.467 176.870 -0.153 0.000 1.127 350 L CA -0.661 54.071 54.840 -0.180 0.000 0.914 350 L CB 0.254 42.284 42.059 -0.049 0.000 1.193 350 L HN -0.071 nan 8.230 nan 0.000 0.502 351 A N 0.627 123.356 122.820 -0.152 0.000 2.580 351 A HA 0.307 4.626 4.320 -0.001 0.000 0.244 351 A C 1.560 179.061 177.584 -0.140 0.000 1.045 351 A CA 0.932 52.899 52.037 -0.117 0.000 0.761 351 A CB -0.416 18.521 19.000 -0.106 0.000 0.962 351 A HN 0.657 nan 8.150 nan 0.000 0.512 352 G N 2.182 110.894 108.800 -0.147 0.000 2.189 352 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.267 352 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.267 352 G C 0.853 175.607 174.900 -0.244 0.000 0.975 352 G CA 1.114 46.105 45.100 -0.181 0.000 0.644 352 G HN 0.819 nan 8.290 nan 0.000 0.537 353 K N -0.772 119.478 120.400 -0.249 0.000 2.370 353 K HA 0.452 4.771 4.320 -0.001 0.000 0.194 353 K C 0.727 177.136 176.600 -0.319 0.000 1.070 353 K CA 0.939 57.068 56.287 -0.263 0.000 0.998 353 K CB 1.264 33.634 32.500 -0.218 0.000 0.911 353 K HN 0.814 nan 8.250 nan 0.000 0.533 354 V N -2.752 116.966 119.914 -0.326 0.000 3.007 354 V HA 0.536 4.655 4.120 -0.001 0.000 0.311 354 V C -1.230 174.697 176.094 -0.277 0.000 1.120 354 V CA -1.172 60.964 62.300 -0.274 0.000 0.980 354 V CB 1.745 33.477 31.823 -0.153 0.000 1.033 354 V HN 0.029 nan 8.190 nan 0.000 0.429 355 W N 1.132 122.437 121.300 0.007 0.000 2.415 355 W HA 0.689 5.349 4.660 -0.001 0.000 0.355 355 W C 0.060 176.602 176.519 0.039 0.000 1.161 355 W CA -0.755 56.604 57.345 0.022 0.000 1.315 355 W CB 1.717 31.191 29.460 0.023 0.000 1.261 355 W HN 0.577 nan 8.180 nan 0.000 0.636 356 R N 1.244 121.923 120.500 0.298 0.000 2.388 356 R HA 0.418 4.758 4.340 -0.001 0.000 0.314 356 R C -1.123 175.277 176.300 0.168 0.000 0.959 356 R CA -0.698 55.522 56.100 0.199 0.000 0.851 356 R CB 1.860 32.254 30.300 0.157 0.000 1.168 356 R HN 0.071 nan 8.270 nan 0.000 0.472 357 V N 2.607 122.613 119.914 0.154 0.000 2.333 357 V HA 0.351 4.470 4.120 -0.001 0.000 0.274 357 V C 0.743 176.900 176.094 0.105 0.000 1.028 357 V CA -0.752 61.614 62.300 0.110 0.000 0.851 357 V CB 1.436 33.316 31.823 0.096 0.000 1.000 357 V HN 0.887 nan 8.190 nan 0.000 0.456 358 G N 5.150 114.003 108.800 0.088 0.000 2.370 358 G HA2 0.604 4.563 3.960 -0.001 0.000 0.272 358 G HA3 0.604 4.563 3.960 -0.001 0.000 0.272 358 G C -0.711 174.233 174.900 0.073 0.000 1.208 358 G CA -0.152 45.000 45.100 0.086 0.000 0.856 358 G HN 0.557 nan 8.290 nan 0.000 0.500 362 F N 1.999 121.995 119.950 0.076 0.000 2.216 362 F HA 0.092 4.618 4.527 -0.002 0.000 0.300 362 F C 2.071 177.867 175.800 -0.007 0.000 1.085 362 F CA 1.908 59.936 58.000 0.046 0.000 1.326 362 F CB 0.066 39.102 39.000 0.061 0.000 1.027 362 F HN 0.178 nan 8.300 nan 0.000 0.497 363 N N -0.271 118.428 118.700 -0.001 0.000 2.467 363 N HA -0.050 4.689 4.740 -0.001 0.000 0.184 363 N C 0.556 175.979 175.510 -0.146 0.000 1.106 363 N CA 0.464 53.451 53.050 -0.104 0.000 0.892 363 N CB -0.189 38.310 38.487 0.019 0.000 0.969 363 N HN 0.034 nan 8.380 nan 0.000 0.454 364 S N 1.499 117.086 115.700 -0.188 0.000 3.065 364 S HA 0.184 4.653 4.470 -0.001 0.000 0.311 364 S C -0.033 174.406 174.600 -0.269 0.000 1.204 364 S CA -0.563 57.469 58.200 -0.279 0.000 1.040 364 S CB -0.457 62.350 63.200 -0.655 0.000 1.436 364 S HN 0.303 nan 8.310 nan 0.000 0.532 365 R N 1.950 122.325 120.500 -0.208 0.000 2.710 365 R HA 0.407 4.747 4.340 -0.001 0.000 0.270 365 R C 0.403 176.624 176.300 -0.132 0.000 1.021 365 R CA -1.080 54.901 56.100 -0.199 0.000 0.889 365 R CB 0.635 30.776 30.300 -0.265 0.000 1.243 365 R HN 0.210 nan 8.270 nan 0.000 0.464 366 K N 0.659 120.973 120.400 -0.143 0.000 2.063 366 K HA -0.183 4.137 4.320 -0.001 0.000 0.208 366 K C 1.543 178.127 176.600 -0.027 0.000 1.048 366 K CA 1.873 58.089 56.287 -0.118 0.000 0.928 366 K CB 0.040 32.377 32.500 -0.272 0.000 0.713 366 K HN 0.663 nan 8.250 nan 0.000 0.442 367 E N 0.357 120.512 120.200 -0.074 0.000 2.171 367 E HA -0.188 4.161 4.350 -0.001 0.000 0.197 367 E C 1.745 178.325 176.600 -0.034 0.000 0.997 367 E CA 1.298 57.667 56.400 -0.053 0.000 0.810 367 E CB 0.041 29.689 29.700 -0.086 0.000 0.738 367 E HN 0.270 nan 8.360 nan 0.000 0.467 368 S N -0.119 115.551 115.700 -0.050 0.000 2.348 368 S HA -0.135 4.335 4.470 -0.001 0.000 0.221 368 S C 2.130 176.726 174.600 -0.007 0.000 1.033 368 S CA 1.259 59.438 58.200 -0.035 0.000 1.010 368 S CB -0.235 62.935 63.200 -0.051 0.000 0.891 368 S HN 0.145 nan 8.310 nan 0.000 0.442 369 V N 2.519 122.453 119.914 0.033 0.000 2.343 369 V HA -0.173 3.946 4.120 -0.001 0.000 0.247 369 V C 1.929 178.038 176.094 0.024 0.000 1.051 369 V CA 1.770 64.090 62.300 0.035 0.000 1.036 369 V CB -0.745 31.145 31.823 0.113 0.000 0.654 369 V HN 0.364 nan 8.190 nan 0.000 0.451 370 D N -0.598 119.852 120.400 0.084 0.000 2.219 370 D HA -0.138 4.501 4.640 -0.001 0.000 0.205 370 D C 2.323 178.623 176.300 -0.001 0.000 0.970 370 D CA 0.924 54.958 54.000 0.056 0.000 0.851 370 D CB -0.100 40.745 40.800 0.076 0.000 0.943 370 D HN 0.524 nan 8.370 nan 0.000 0.488 371 Q N -0.328 119.464 119.800 -0.013 0.000 2.062 371 Q HA -0.063 4.276 4.340 -0.001 0.000 0.196 371 Q C 2.166 178.123 176.000 -0.071 0.000 0.967 371 Q CA 0.388 56.173 55.803 -0.030 0.000 0.832 371 Q CB -0.100 28.628 28.738 -0.017 0.000 0.899 371 Q HN 0.185 nan 8.270 nan 0.000 0.442 372 L N 1.181 122.361 121.223 -0.073 0.000 1.989 372 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 372 L C 2.067 178.847 176.870 -0.150 0.000 1.071 372 L CA 1.651 56.423 54.840 -0.113 0.000 0.749 372 L CB -0.640 41.365 42.059 -0.091 0.000 0.890 372 L HN 0.183 nan 8.230 nan 0.000 0.431 373 I N 0.725 121.222 120.570 -0.121 0.000 2.127 373 I HA -0.171 3.998 4.170 -0.001 0.000 0.241 373 I C -0.188 175.848 176.117 -0.135 0.000 1.075 373 I CA 1.822 63.044 61.300 -0.129 0.000 1.334 373 I CB -2.845 35.080 38.000 -0.124 0.000 1.040 373 I HN 0.302 nan 8.210 nan 0.000 0.405 374 P HA -0.060 nan 4.420 nan 0.000 0.221 374 P C 1.496 178.678 177.300 -0.196 0.000 1.150 374 P CA 1.555 64.587 63.100 -0.114 0.000 0.800 374 P CB 0.071 31.729 31.700 -0.071 0.000 0.787 375 A N 0.438 123.071 122.820 -0.311 0.000 1.873 375 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 375 A C 2.413 179.725 177.584 -0.453 0.000 1.186 375 A CA 1.054 52.697 52.037 -0.657 0.000 0.616 375 A CB -1.601 16.953 19.000 -0.744 0.000 0.823 375 A HN 0.104 nan 8.150 nan 0.000 0.442 376 L N -0.436 120.600 121.223 -0.312 0.000 2.012 376 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 376 L C 2.720 179.482 176.870 -0.181 0.000 1.073 376 L CA 2.036 56.716 54.840 -0.266 0.000 0.748 376 L CB -0.533 41.367 42.059 -0.265 0.000 0.891 376 L HN 0.544 nan 8.230 nan 0.000 0.431 377 E N -0.767 119.347 120.200 -0.143 0.000 2.058 377 E HA -0.326 4.024 4.350 -0.001 0.000 0.194 377 E C 2.322 178.886 176.600 -0.060 0.000 0.997 377 E CA 1.709 58.059 56.400 -0.083 0.000 0.801 377 E CB -0.268 29.393 29.700 -0.065 0.000 0.746 377 E HN 0.644 nan 8.360 nan 0.000 0.450 378 Q N 0.825 120.582 119.800 -0.072 0.000 2.124 378 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 378 Q C 2.323 178.333 176.000 0.016 0.000 0.977 378 Q CA 1.732 57.529 55.803 -0.010 0.000 0.850 378 Q CB -1.007 27.751 28.738 0.033 0.000 0.901 378 Q HN 0.188 nan 8.270 nan 0.000 0.429 379 V N 0.509 120.414 119.914 -0.015 0.000 2.515 379 V HA -0.143 3.976 4.120 -0.001 0.000 0.250 379 V C 2.364 178.464 176.094 0.011 0.000 1.058 379 V CA 1.453 63.761 62.300 0.014 0.000 1.064 379 V CB -0.332 31.483 31.823 -0.013 0.000 0.675 379 V HN 0.623 nan 8.190 nan 0.000 0.461 380 L N -0.857 120.360 121.223 -0.010 0.000 2.554 380 L HA 0.053 4.392 4.340 -0.001 0.000 0.226 380 L C 1.613 178.499 176.870 0.027 0.000 1.137 380 L CA 0.333 55.186 54.840 0.021 0.000 0.863 380 L CB -0.299 41.770 42.059 0.016 0.000 0.985 380 L HN 0.262 nan 8.230 nan 0.000 0.451 381 R N 0.000 120.511 120.500 0.019 0.000 2.786 381 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 381 R CA 0.000 56.112 56.100 0.021 0.000 0.921 381 R CB 0.000 30.310 30.300 0.017 0.000 0.687 381 R HN 0.000 nan 8.270 nan 0.000 0.535