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 2zrx_1_B DATA FIRST_RESID 3 DATA SEQUENCE DIVNRKVEHV EIAAFENVDG LSSSTFLNDV ILVHQGFPGI SFSEINTKTK DATA SEQUENCE FFRKEISVPV MVTGMTGGRN ELGRINKIIA EVAEKFGIPM GVGSQRVAIE DATA SEQUENCE KAEARESFAI VRKVAPTIPI IANLGMPQLV KGYGLKEFQD AIQMIEADAI DATA SEQUENCE AVHLNPAQEV FQPEGEPEYQ IYALEKLRDI SKELSVPIIV KESGNGISME DATA SEQUENCE TAKLLYSYGI KNFDTSGQGG TNWIAIEMIR DIRRGNWKAE SAKNFLDWGV DATA SEQUENCE PTAASIMEVR YSVPDSFLVG SGGIRSGLDA AKAIALGADI AGMALPVLKS DATA SEQUENCE AIEGKESLEQ FFRKIIFELK AAMMLTGSKD VDALKKTSIV ILGKLKEWAE DATA SEQUENCE YRGINLSIYE KVRK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.299 176.300 -0.002 0.000 2.045 3 D CA 0.000 54.003 54.000 0.005 0.000 0.868 3 D CB 0.000 40.803 40.800 0.004 0.000 0.688 4 I N -0.413 120.160 120.570 0.005 0.000 2.676 4 I HA -0.007 4.163 4.170 0.001 0.000 0.259 4 I C 1.875 177.989 176.117 -0.005 0.000 1.194 4 I CA 1.252 62.552 61.300 0.001 0.000 1.473 4 I CB -0.034 37.978 38.000 0.019 0.000 1.096 4 I HN 0.037 nan 8.210 nan 0.000 0.443 5 V N 0.273 120.192 119.914 0.008 0.000 2.809 5 V HA -0.134 3.986 4.120 0.001 0.000 0.256 5 V C 2.158 178.245 176.094 -0.011 0.000 1.080 5 V CA 2.117 64.423 62.300 0.010 0.000 1.102 5 V CB -1.318 30.520 31.823 0.025 0.000 0.705 5 V HN 0.591 nan 8.190 nan 0.000 0.475 6 N N 0.955 119.645 118.700 -0.017 0.000 2.142 6 N HA -0.178 4.563 4.740 0.001 0.000 0.186 6 N C 2.100 177.573 175.510 -0.061 0.000 1.023 6 N CA 1.818 54.854 53.050 -0.024 0.000 0.852 6 N CB -0.419 38.061 38.487 -0.012 0.000 0.998 6 N HN 0.566 nan 8.380 nan 0.000 0.424 7 R N 0.404 120.842 120.500 -0.104 0.000 2.091 7 R HA -0.154 4.187 4.340 0.001 0.000 0.238 7 R C 1.626 177.701 176.300 -0.375 0.000 1.136 7 R CA 1.468 57.419 56.100 -0.249 0.000 0.959 7 R CB -0.053 30.096 30.300 -0.252 0.000 0.856 7 R HN 0.012 nan 8.270 nan 0.000 0.437 8 K N 0.129 120.415 120.400 -0.189 0.000 2.044 8 K HA -0.143 4.177 4.320 0.001 0.000 0.210 8 K C 1.936 178.531 176.600 -0.009 0.000 1.049 8 K CA 1.625 57.870 56.287 -0.070 0.000 0.927 8 K CB -0.606 31.898 32.500 0.007 0.000 0.713 8 K HN 0.258 nan 8.250 nan 0.000 0.443 9 V N -0.197 119.710 119.914 -0.011 0.000 2.453 9 V HA -0.176 3.944 4.120 0.001 0.000 0.247 9 V C 1.718 177.838 176.094 0.043 0.000 1.048 9 V CA 1.645 63.959 62.300 0.023 0.000 1.049 9 V CB -0.232 31.604 31.823 0.023 0.000 0.672 9 V HN 0.312 nan 8.190 nan 0.000 0.457 10 E N -0.427 119.782 120.200 0.015 0.000 2.085 10 E HA -0.255 4.096 4.350 0.001 0.000 0.194 10 E C 2.045 178.724 176.600 0.133 0.000 0.994 10 E CA 1.995 58.424 56.400 0.049 0.000 0.801 10 E CB -0.336 29.375 29.700 0.019 0.000 0.743 10 E HN 0.840 nan 8.360 nan 0.000 0.453 11 H N -0.390 118.734 119.070 0.089 0.000 2.267 11 H HA -0.134 4.422 4.556 0.001 0.000 0.297 11 H C 2.350 177.701 175.328 0.039 0.000 1.080 11 H CA 1.316 57.441 56.048 0.129 0.000 1.278 11 H CB 0.090 30.031 29.762 0.298 0.000 1.365 11 H HN -0.002 nan 8.280 nan 0.000 0.489 12 V N 1.047 121.063 119.914 0.171 0.000 2.332 12 V HA -0.257 3.863 4.120 0.001 0.000 0.248 12 V C 2.386 178.439 176.094 -0.068 0.000 1.055 12 V CA 2.108 64.425 62.300 0.028 0.000 1.038 12 V CB -0.468 31.365 31.823 0.018 0.000 0.651 12 V HN 0.524 nan 8.190 nan 0.000 0.450 13 E N 0.090 120.306 120.200 0.027 0.000 2.077 13 E HA -0.214 4.137 4.350 0.001 0.000 0.193 13 E C 2.184 178.831 176.600 0.080 0.000 0.989 13 E CA 1.752 58.219 56.400 0.112 0.000 0.800 13 E CB -0.111 29.691 29.700 0.170 0.000 0.746 13 E HN 0.629 nan 8.360 nan 0.000 0.452 14 I N 1.126 121.709 120.570 0.021 0.000 2.193 14 I HA -0.188 3.982 4.170 0.001 0.000 0.240 14 I C 2.760 178.796 176.117 -0.136 0.000 1.084 14 I CA 0.957 62.240 61.300 -0.028 0.000 1.365 14 I CB -0.441 37.536 38.000 -0.039 0.000 1.064 14 I HN 0.120 nan 8.210 nan 0.000 0.410 15 A N 0.912 123.606 122.820 -0.210 0.000 1.903 15 A HA -0.284 4.037 4.320 0.001 0.000 0.219 15 A C 2.488 179.902 177.584 -0.284 0.000 1.191 15 A CA 2.484 54.347 52.037 -0.290 0.000 0.638 15 A CB -1.037 17.793 19.000 -0.283 0.000 0.823 15 A HN 0.469 nan 8.150 nan 0.000 0.451 16 A N -1.963 120.621 122.820 -0.393 0.000 1.897 16 A HA 0.201 4.522 4.320 0.001 0.000 0.215 16 A C 1.750 178.978 177.584 -0.593 0.000 1.181 16 A CA 1.357 53.010 52.037 -0.640 0.000 0.620 16 A CB -0.425 17.919 19.000 -1.093 0.000 0.821 16 A HN 0.559 nan 8.150 nan 0.000 0.443 17 F N -0.509 119.403 119.950 -0.064 0.000 2.728 17 F HA 0.280 4.807 4.527 0.001 0.000 0.314 17 F C 0.770 176.536 175.800 -0.057 0.000 1.094 17 F CA -0.374 57.593 58.000 -0.054 0.000 1.217 17 F CB 0.543 39.519 39.000 -0.042 0.000 1.056 17 F HN 0.069 nan 8.300 nan 0.000 0.577 18 E N 0.428 120.658 120.200 0.049 0.000 2.281 18 E HA 0.171 4.521 4.350 0.001 0.000 0.257 18 E C -0.848 175.725 176.600 -0.046 0.000 0.971 18 E CA -0.962 55.441 56.400 0.006 0.000 0.839 18 E CB 1.218 30.913 29.700 -0.007 0.000 1.238 18 E HN -0.191 nan 8.360 nan 0.000 0.412 19 N N 1.355 120.028 118.700 -0.045 0.000 2.807 19 N HA 0.047 4.788 4.740 0.001 0.000 0.259 19 N C -0.043 175.416 175.510 -0.084 0.000 1.149 19 N CA -0.001 53.015 53.050 -0.056 0.000 1.042 19 N CB 0.039 38.504 38.487 -0.037 0.000 1.367 19 N HN 0.339 nan 8.380 nan 0.000 0.516 20 V N -1.281 118.561 119.914 -0.120 0.000 3.451 20 V HA 0.332 4.453 4.120 0.001 0.000 0.288 20 V C 0.357 176.356 176.094 -0.160 0.000 1.502 20 V CA -0.416 61.787 62.300 -0.162 0.000 1.026 20 V CB -0.036 31.637 31.823 -0.250 0.000 0.840 20 V HN 0.223 nan 8.190 nan 0.000 0.437 21 D N 2.446 122.769 120.400 -0.127 0.000 2.359 21 D HA 0.438 5.079 4.640 0.001 0.000 0.250 21 D C 1.464 177.723 176.300 -0.069 0.000 1.264 21 D CA 1.380 55.319 54.000 -0.103 0.000 0.911 21 D CB 0.343 41.091 40.800 -0.087 0.000 1.056 21 D HN 0.708 nan 8.370 nan 0.000 0.499 22 G N 3.979 112.742 108.800 -0.062 0.000 2.153 22 G HA2 -0.261 3.700 3.960 0.001 0.000 0.252 22 G HA3 -0.261 3.700 3.960 0.001 0.000 0.252 22 G C 0.542 175.423 174.900 -0.033 0.000 0.994 22 G CA -0.024 45.053 45.100 -0.037 0.000 0.698 22 G HN 0.567 nan 8.290 nan 0.000 0.521 23 L N 0.968 122.162 121.223 -0.048 0.000 2.698 23 L HA 0.220 4.561 4.340 0.001 0.000 0.272 23 L C 1.271 178.126 176.870 -0.025 0.000 1.154 23 L CA 1.528 56.343 54.840 -0.041 0.000 0.964 23 L CB -0.215 41.808 42.059 -0.060 0.000 1.272 23 L HN 0.602 nan 8.230 nan 0.000 0.483 24 S N 1.425 117.117 115.700 -0.013 0.000 3.358 24 S HA -0.182 4.289 4.470 0.001 0.000 0.309 24 S C 0.386 174.992 174.600 0.010 0.000 1.247 24 S CA 1.194 59.394 58.200 -0.000 0.000 0.961 24 S CB -1.351 61.847 63.200 -0.002 0.000 1.074 24 S HN 0.935 nan 8.310 nan 0.000 0.625 25 S N -0.721 114.982 115.700 0.005 0.000 2.715 25 S HA 0.877 5.348 4.470 0.001 0.000 0.307 25 S C -0.449 174.160 174.600 0.014 0.000 1.119 25 S CA -0.188 58.014 58.200 0.004 0.000 0.937 25 S CB 2.445 65.640 63.200 -0.008 0.000 1.150 25 S HN 0.522 nan 8.310 nan 0.000 0.521 26 S N -0.415 115.289 115.700 0.006 0.000 2.543 26 S HA 0.494 4.964 4.470 0.001 0.000 0.271 26 S C 0.625 175.222 174.600 -0.004 0.000 1.148 26 S CA -0.073 58.161 58.200 0.058 0.000 0.914 26 S CB 1.298 64.616 63.200 0.197 0.000 1.096 26 S HN 1.036 nan 8.310 nan 0.000 0.471 27 T N 1.286 115.858 114.554 0.030 0.000 3.023 27 T HA 0.197 4.547 4.350 0.001 0.000 0.266 27 T C 1.098 175.836 174.700 0.064 0.000 1.093 27 T CA 0.875 62.964 62.100 -0.018 0.000 1.129 27 T CB -0.774 68.094 68.868 0.000 0.000 0.899 27 T HN 0.882 nan 8.240 nan 0.000 0.491 28 F N -0.594 119.292 119.950 -0.106 0.000 2.748 28 F HA -0.258 4.270 4.527 0.001 0.000 0.370 28 F C 1.350 177.096 175.800 -0.091 0.000 0.620 28 F CA -0.050 57.882 58.000 -0.114 0.000 1.233 28 F CB -1.776 37.112 39.000 -0.186 0.000 1.708 28 F HN 0.172 nan 8.300 nan 0.000 0.298 29 L N -0.172 121.107 121.223 0.094 0.000 2.141 29 L HA -0.223 4.118 4.340 0.001 0.000 0.209 29 L C 2.113 178.991 176.870 0.013 0.000 1.094 29 L CA 1.442 56.303 54.840 0.035 0.000 0.763 29 L CB -0.542 41.530 42.059 0.022 0.000 0.908 29 L HN 0.229 nan 8.230 nan 0.000 0.437 30 N N 0.523 119.228 118.700 0.008 0.000 2.139 30 N HA -0.261 4.479 4.740 0.001 0.000 0.199 30 N C 1.141 176.625 175.510 -0.043 0.000 1.003 30 N CA 1.815 54.853 53.050 -0.020 0.000 0.892 30 N CB -0.291 38.175 38.487 -0.035 0.000 1.039 30 N HN 0.328 nan 8.380 nan 0.000 0.461 31 D N -0.625 119.738 120.400 -0.062 0.000 2.340 31 D HA 0.073 4.714 4.640 0.001 0.000 0.220 31 D C -0.296 175.979 176.300 -0.041 0.000 1.039 31 D CA 0.138 54.089 54.000 -0.081 0.000 0.866 31 D CB 0.392 41.101 40.800 -0.151 0.000 0.913 31 D HN -0.009 nan 8.370 nan 0.000 0.523 32 V N 1.779 121.682 119.914 -0.018 0.000 2.370 32 V HA 0.365 4.486 4.120 0.001 0.000 0.283 32 V C 0.148 176.242 176.094 0.001 0.000 1.023 32 V CA -0.632 61.667 62.300 -0.002 0.000 0.857 32 V CB 2.014 33.842 31.823 0.009 0.000 0.985 32 V HN -0.103 nan 8.190 nan 0.000 0.443 33 I N 5.630 126.204 120.570 0.006 0.000 2.418 33 I HA 0.401 4.571 4.170 0.001 0.000 0.287 33 I C -0.412 175.718 176.117 0.021 0.000 1.008 33 I CA -0.490 60.816 61.300 0.011 0.000 1.104 33 I CB 1.865 39.869 38.000 0.007 0.000 1.264 33 I HN 0.358 nan 8.210 nan 0.000 0.438 34 L N 6.548 127.786 121.223 0.024 0.000 2.361 34 L HA 0.274 4.614 4.340 0.001 0.000 0.278 34 L C -0.067 176.831 176.870 0.047 0.000 1.113 34 L CA -0.659 54.200 54.840 0.031 0.000 0.849 34 L CB 0.815 42.890 42.059 0.027 0.000 1.155 34 L HN 0.303 nan 8.230 nan 0.000 0.452 35 V N 3.116 123.057 119.914 0.046 0.000 2.446 35 V HA -0.045 4.075 4.120 0.001 0.000 0.276 35 V C 0.428 176.571 176.094 0.081 0.000 1.030 35 V CA -0.261 62.074 62.300 0.058 0.000 1.033 35 V CB 0.335 32.181 31.823 0.038 0.000 0.993 35 V HN 0.597 nan 8.190 nan 0.000 0.477 36 H N 5.682 124.757 119.070 0.009 0.000 2.928 36 H HA 0.172 4.729 4.556 0.001 0.000 0.338 36 H C -0.082 175.257 175.328 0.020 0.000 1.047 36 H CA 0.307 56.361 56.048 0.010 0.000 1.435 36 H CB 0.556 30.323 29.762 0.009 0.000 1.428 36 H HN 0.553 nan 8.280 nan 0.000 0.590 37 Q N 4.151 123.620 119.800 -0.552 0.000 2.381 37 Q HA 0.224 4.565 4.340 0.001 0.000 0.263 37 Q C 1.125 176.772 176.000 -0.588 0.000 1.030 37 Q CA 0.060 55.610 55.803 -0.423 0.000 0.772 37 Q CB 1.672 30.311 28.738 -0.164 0.000 1.232 37 Q HN 1.069 nan 8.270 nan 0.000 0.476 38 G N 1.676 110.198 108.800 -0.464 0.000 2.448 38 G HA2 -0.192 3.768 3.960 0.001 0.000 0.219 38 G HA3 -0.192 3.768 3.960 0.001 0.000 0.219 38 G C 0.158 175.060 174.900 0.003 0.000 1.127 38 G CA 0.331 45.324 45.100 -0.179 0.000 0.766 38 G HN 0.455 nan 8.290 nan 0.000 0.552 39 F N 1.478 121.365 119.950 -0.105 0.000 2.307 39 F HA 0.483 5.011 4.527 0.001 0.000 0.369 39 F C -1.487 174.277 175.800 -0.061 0.000 1.076 39 F CA -2.468 55.498 58.000 -0.055 0.000 1.149 39 F CB 2.060 41.039 39.000 -0.034 0.000 1.410 39 F HN -0.105 nan 8.300 nan 0.000 0.481 40 P HA 0.030 nan 4.420 nan 0.000 0.216 40 P C 1.075 178.280 177.300 -0.158 0.000 1.150 40 P CA 2.003 64.982 63.100 -0.202 0.000 0.837 40 P CB 0.145 31.731 31.700 -0.190 0.000 0.786 41 G N -0.895 107.687 108.800 -0.364 0.000 2.157 41 G HA2 -0.205 3.755 3.960 0.001 0.000 0.248 41 G HA3 -0.205 3.755 3.960 0.001 0.000 0.248 41 G C 0.146 175.007 174.900 -0.065 0.000 0.979 41 G CA 0.261 45.326 45.100 -0.057 0.000 0.650 41 G HN 0.532 nan 8.290 nan 0.000 0.529 42 I N -3.128 117.363 120.570 -0.131 0.000 3.191 42 I HA 0.889 5.059 4.170 0.001 0.000 0.313 42 I C -0.175 175.899 176.117 -0.072 0.000 1.193 42 I CA -1.200 60.056 61.300 -0.073 0.000 0.968 42 I CB 1.912 39.879 38.000 -0.055 0.000 1.262 42 I HN 0.084 nan 8.210 nan 0.000 0.456 43 S N 0.806 116.491 115.700 -0.026 0.000 2.565 43 S HA 0.448 4.919 4.470 0.001 0.000 0.290 43 S C 0.346 174.984 174.600 0.065 0.000 1.150 43 S CA -0.546 57.667 58.200 0.021 0.000 1.058 43 S CB 0.914 64.131 63.200 0.029 0.000 1.032 43 S HN 0.637 nan 8.310 nan 0.000 0.510 44 F N 3.488 123.424 119.950 -0.023 0.000 2.171 44 F HA -0.104 4.423 4.527 0.001 0.000 0.300 44 F C 2.506 178.312 175.800 0.009 0.000 1.090 44 F CA 2.226 60.223 58.000 -0.005 0.000 1.293 44 F CB -0.341 38.670 39.000 0.017 0.000 1.013 44 F HN 0.703 nan 8.300 nan 0.000 0.486 45 S N -0.007 115.797 115.700 0.174 0.000 2.447 45 S HA -0.206 4.265 4.470 0.001 0.000 0.233 45 S C 1.412 176.009 174.600 -0.006 0.000 1.006 45 S CA 0.968 59.224 58.200 0.093 0.000 0.957 45 S CB -0.834 62.435 63.200 0.114 0.000 0.773 45 S HN 0.744 nan 8.310 nan 0.000 0.507 46 E N 0.768 120.953 120.200 -0.025 0.000 2.465 46 E HA 0.288 4.639 4.350 0.001 0.000 0.191 46 E C 0.006 176.559 176.600 -0.078 0.000 1.053 46 E CA -0.368 56.008 56.400 -0.039 0.000 0.869 46 E CB -0.380 29.308 29.700 -0.020 0.000 0.977 46 E HN 0.514 nan 8.360 nan 0.000 0.483 47 I N 2.579 123.059 120.570 -0.149 0.000 2.587 47 I HA -0.020 4.151 4.170 0.001 0.000 0.284 47 I C -0.039 175.995 176.117 -0.139 0.000 1.134 47 I CA -0.187 61.003 61.300 -0.182 0.000 1.410 47 I CB 0.162 37.961 38.000 -0.334 0.000 1.392 47 I HN 0.096 nan 8.210 nan 0.000 0.545 48 N N 4.369 123.013 118.700 -0.093 0.000 2.469 48 N HA 0.151 4.892 4.740 0.001 0.000 0.253 48 N C 0.583 176.061 175.510 -0.053 0.000 0.970 48 N CA -0.573 52.440 53.050 -0.062 0.000 0.940 48 N CB 1.036 39.499 38.487 -0.040 0.000 1.128 48 N HN 0.614 nan 8.380 nan 0.000 0.503 49 T N -0.105 114.421 114.554 -0.047 0.000 3.144 49 T HA 0.201 4.551 4.350 0.001 0.000 0.249 49 T C 0.530 175.224 174.700 -0.009 0.000 1.089 49 T CA 0.065 62.146 62.100 -0.032 0.000 0.989 49 T CB -0.233 68.616 68.868 -0.032 0.000 0.992 49 T HN 0.298 nan 8.240 nan 0.000 0.540 50 K N 1.307 121.702 120.400 -0.007 0.000 2.295 50 K HA 0.459 4.780 4.320 0.001 0.000 0.270 50 K C -0.158 176.451 176.600 0.015 0.000 1.011 50 K CA 0.031 56.321 56.287 0.005 0.000 0.953 50 K CB 0.874 33.375 32.500 0.001 0.000 0.956 50 K HN 0.178 nan 8.250 nan 0.000 0.477 51 T N 0.996 115.568 114.554 0.030 0.000 2.802 51 T HA 0.303 4.653 4.350 0.001 0.000 0.311 51 T C -1.880 172.853 174.700 0.055 0.000 1.405 51 T CA -1.060 61.066 62.100 0.044 0.000 1.016 51 T CB 0.888 69.795 68.868 0.064 0.000 1.352 51 T HN 0.591 nan 8.240 nan 0.000 0.498 52 K N 1.194 121.616 120.400 0.037 0.000 2.118 52 K HA 0.681 5.002 4.320 0.001 0.000 0.267 52 K C -1.188 175.411 176.600 -0.002 0.000 0.991 52 K CA -0.551 55.744 56.287 0.013 0.000 0.916 52 K CB 0.928 33.406 32.500 -0.037 0.000 1.041 52 K HN 0.397 nan 8.250 nan 0.000 0.455 53 F N 5.162 125.006 119.950 -0.177 0.000 2.676 53 F HA 0.310 4.838 4.527 0.002 0.000 0.371 53 F C -0.575 175.049 175.800 -0.294 0.000 1.141 53 F CA -0.665 57.142 58.000 -0.321 0.000 1.133 53 F CB 0.002 38.944 39.000 -0.098 0.000 1.376 53 F HN 0.841 nan 8.300 nan 0.000 0.491 54 F N 1.183 120.818 119.950 -0.524 0.000 2.640 54 F HA -0.467 4.061 4.527 0.001 0.000 0.227 54 F C 1.912 177.632 175.800 -0.134 0.000 1.481 54 F CA 1.376 59.171 58.000 -0.341 0.000 1.964 54 F CB -0.801 38.042 39.000 -0.262 0.000 0.564 54 F HN 0.326 nan 8.300 nan 0.000 0.224 55 R N 0.848 121.466 120.500 0.197 0.000 2.200 55 R HA 0.078 4.419 4.340 0.001 0.000 0.208 55 R C 0.199 176.553 176.300 0.090 0.000 1.033 55 R CA 0.798 56.958 56.100 0.100 0.000 1.000 55 R CB -0.047 30.298 30.300 0.075 0.000 0.906 55 R HN 0.353 nan 8.270 nan 0.000 0.462 56 K N 0.541 121.021 120.400 0.135 0.000 2.177 56 K HA 0.192 4.513 4.320 0.001 0.000 0.238 56 K C -0.252 176.402 176.600 0.091 0.000 1.015 56 K CA -0.483 55.869 56.287 0.107 0.000 0.922 56 K CB 1.106 33.681 32.500 0.125 0.000 1.127 56 K HN -0.112 nan 8.250 nan 0.000 0.469 57 E N 1.729 121.966 120.200 0.062 0.000 2.212 57 E HA 0.345 4.696 4.350 0.001 0.000 0.268 57 E C -1.091 175.532 176.600 0.038 0.000 0.902 57 E CA -0.668 55.762 56.400 0.049 0.000 0.779 57 E CB 1.192 30.909 29.700 0.028 0.000 1.172 57 E HN 0.490 nan 8.360 nan 0.000 0.409 58 I N 0.044 120.637 120.570 0.040 0.000 2.693 58 I HA 0.411 4.582 4.170 0.001 0.000 0.303 58 I C 0.617 176.739 176.117 0.008 0.000 1.025 58 I CA -0.754 60.551 61.300 0.008 0.000 1.086 58 I CB 2.126 40.117 38.000 -0.014 0.000 1.268 58 I HN 0.291 nan 8.210 nan 0.000 0.440 59 S N 2.251 117.948 115.700 -0.005 0.000 2.387 59 S HA 0.096 4.567 4.470 0.001 0.000 0.226 59 S C 0.615 175.220 174.600 0.008 0.000 1.026 59 S CA 0.517 58.719 58.200 0.004 0.000 0.972 59 S CB -0.094 63.113 63.200 0.012 0.000 0.814 59 S HN 0.504 nan 8.310 nan 0.000 0.477 60 V N 2.471 122.386 119.914 0.002 0.000 2.925 60 V HA 0.346 4.467 4.120 0.001 0.000 0.311 60 V C -2.538 173.566 176.094 0.016 0.000 1.104 60 V CA -1.949 60.353 62.300 0.004 0.000 0.954 60 V CB 2.134 33.952 31.823 -0.007 0.000 1.022 60 V HN -0.025 nan 8.190 nan 0.000 0.427 61 P HA 0.209 nan 4.420 nan 0.000 0.228 61 P C -0.659 176.675 177.300 0.058 0.000 1.748 61 P CA 0.128 63.263 63.100 0.059 0.000 0.909 61 P CB 0.262 31.991 31.700 0.048 0.000 1.882 62 V N 2.444 122.383 119.914 0.041 0.000 2.760 62 V HA 0.522 4.642 4.120 0.001 0.000 0.309 62 V C 0.206 176.314 176.094 0.024 0.000 1.077 62 V CA -0.760 61.567 62.300 0.045 0.000 0.910 62 V CB 2.467 34.312 31.823 0.038 0.000 1.008 62 V HN 0.247 nan 8.190 nan 0.000 0.424 63 M N 3.606 123.242 119.600 0.060 0.000 2.530 63 M HA 0.834 5.314 4.480 0.001 0.000 0.307 63 M C -1.425 174.932 176.300 0.094 0.000 1.161 63 M CA -0.734 54.584 55.300 0.029 0.000 0.903 63 M CB 2.184 34.809 32.600 0.042 0.000 1.711 63 M HN 0.249 nan 8.290 nan 0.000 0.451 64 V N 2.797 122.767 119.914 0.093 0.000 2.455 64 V HA 0.283 4.403 4.120 0.001 0.000 0.273 64 V C 0.739 176.898 176.094 0.108 0.000 1.045 64 V CA -0.218 62.167 62.300 0.141 0.000 0.976 64 V CB 0.708 32.633 31.823 0.172 0.000 0.993 64 V HN 1.031 nan 8.190 nan 0.000 0.475 65 T N 2.505 117.125 114.554 0.110 0.000 2.847 65 T HA 0.544 4.895 4.350 0.001 0.000 0.279 65 T C 0.666 175.422 174.700 0.093 0.000 0.984 65 T CA -0.143 62.020 62.100 0.106 0.000 0.988 65 T CB 1.306 70.234 68.868 0.101 0.000 1.040 65 T HN 0.908 nan 8.240 nan 0.000 0.528 66 G N 0.022 108.876 108.800 0.091 0.000 2.414 66 G HA2 0.415 4.376 3.960 0.001 0.000 0.236 66 G HA3 0.415 4.376 3.960 0.001 0.000 0.236 66 G C 0.096 175.036 174.900 0.067 0.000 1.293 66 G CA -0.399 44.753 45.100 0.086 0.000 0.869 66 G HN 0.823 nan 8.290 nan 0.000 0.556 67 M N 0.144 119.791 119.600 0.079 0.000 2.146 67 M HA 0.208 4.689 4.480 0.001 0.000 0.194 67 M C 0.866 177.218 176.300 0.087 0.000 1.652 67 M CA 0.315 55.661 55.300 0.077 0.000 0.986 67 M CB 1.077 33.715 32.600 0.063 0.000 1.496 67 M HN 0.595 nan 8.290 nan 0.000 0.576 68 T N -0.927 113.665 114.554 0.064 0.000 2.671 68 T HA 0.718 5.069 4.350 0.001 0.000 0.300 68 T C -1.542 173.090 174.700 -0.113 0.000 1.238 68 T CA 0.254 62.373 62.100 0.032 0.000 1.020 68 T CB 2.117 70.994 68.868 0.015 0.000 1.503 68 T HN 0.626 nan 8.240 nan 0.000 0.497 69 G N -1.428 107.236 108.800 -0.226 0.000 2.347 69 G HA2 0.471 4.431 3.960 0.001 0.000 0.321 69 G HA3 0.471 4.431 3.960 0.001 0.000 0.321 69 G C 0.328 175.063 174.900 -0.274 0.000 1.412 69 G CA 0.566 45.268 45.100 -0.663 0.000 0.990 69 G HN 1.945 nan 8.290 nan 0.000 0.637 70 G N -1.059 107.598 108.800 -0.238 0.000 2.205 70 G HA2 0.158 4.119 3.960 0.001 0.000 0.180 70 G HA3 0.158 4.119 3.960 0.001 0.000 0.180 70 G C 0.227 175.134 174.900 0.011 0.000 1.004 70 G CA 1.030 46.163 45.100 0.055 0.000 0.670 70 G HN 1.137 nan 8.290 nan 0.000 0.496 71 R N -1.234 119.236 120.500 -0.049 0.000 2.752 71 R HA 0.297 4.638 4.340 0.001 0.000 0.277 71 R C 0.650 176.923 176.300 -0.046 0.000 1.024 71 R CA -0.356 55.728 56.100 -0.027 0.000 0.866 71 R CB -0.203 30.090 30.300 -0.012 0.000 1.278 71 R HN 0.007 nan 8.270 nan 0.000 0.473 72 N N 1.505 120.190 118.700 -0.024 0.000 2.028 72 N HA -0.200 4.540 4.740 0.001 0.000 0.194 72 N C 1.207 176.700 175.510 -0.027 0.000 1.050 72 N CA 1.974 55.010 53.050 -0.023 0.000 0.848 72 N CB -0.183 38.299 38.487 -0.009 0.000 1.038 72 N HN 0.609 nan 8.380 nan 0.000 0.423 73 E N 0.991 121.181 120.200 -0.016 0.000 2.265 73 E HA -0.135 4.215 4.350 0.001 0.000 0.196 73 E C 1.823 178.409 176.600 -0.025 0.000 0.996 73 E CA 0.697 57.091 56.400 -0.010 0.000 0.832 73 E CB -0.388 29.317 29.700 0.007 0.000 0.756 73 E HN 0.188 nan 8.360 nan 0.000 0.491 74 L N 1.294 122.490 121.223 -0.043 0.000 2.072 74 L HA 0.067 4.407 4.340 0.001 0.000 0.205 74 L C 2.638 179.439 176.870 -0.116 0.000 1.079 74 L CA 1.972 56.767 54.840 -0.075 0.000 0.752 74 L CB -1.187 40.819 42.059 -0.088 0.000 0.906 74 L HN 0.300 nan 8.230 nan 0.000 0.436 75 G N -0.080 108.645 108.800 -0.125 0.000 2.408 75 G HA2 -0.283 3.678 3.960 0.001 0.000 0.217 75 G HA3 -0.283 3.678 3.960 0.001 0.000 0.217 75 G C 1.671 176.528 174.900 -0.073 0.000 1.150 75 G CA 0.875 45.897 45.100 -0.131 0.000 0.776 75 G HN 0.485 nan 8.290 nan 0.000 0.542 76 R N 0.162 120.635 120.500 -0.046 0.000 2.189 76 R HA 0.257 4.598 4.340 0.001 0.000 0.218 76 R C 2.118 178.407 176.300 -0.018 0.000 1.074 76 R CA 0.831 56.917 56.100 -0.023 0.000 0.991 76 R CB -0.582 29.711 30.300 -0.011 0.000 0.883 76 R HN 0.387 nan 8.270 nan 0.000 0.457 77 I N 1.281 121.833 120.570 -0.030 0.000 2.163 77 I HA -0.230 3.940 4.170 0.001 0.000 0.240 77 I C 1.415 177.518 176.117 -0.024 0.000 1.081 77 I CA 1.280 62.563 61.300 -0.028 0.000 1.353 77 I CB -0.428 37.549 38.000 -0.038 0.000 1.054 77 I HN 0.233 nan 8.210 nan 0.000 0.407 78 N N 0.900 119.572 118.700 -0.046 0.000 2.192 78 N HA -0.222 4.518 4.740 0.001 0.000 0.188 78 N C 1.713 177.220 175.510 -0.004 0.000 1.013 78 N CA 1.136 54.164 53.050 -0.036 0.000 0.863 78 N CB -0.275 38.157 38.487 -0.092 0.000 0.990 78 N HN 0.330 nan 8.380 nan 0.000 0.430 79 K N 0.764 121.160 120.400 -0.007 0.000 2.001 79 K HA -0.001 4.319 4.320 0.001 0.000 0.208 79 K C 2.021 178.640 176.600 0.032 0.000 1.048 79 K CA 0.759 57.053 56.287 0.012 0.000 0.932 79 K CB -0.165 32.338 32.500 0.006 0.000 0.715 79 K HN 0.091 nan 8.250 nan 0.000 0.437 80 I N 1.235 121.822 120.570 0.029 0.000 2.163 80 I HA -0.329 3.842 4.170 0.001 0.000 0.243 80 I C 2.337 178.500 176.117 0.078 0.000 1.085 80 I CA 1.251 62.580 61.300 0.047 0.000 1.347 80 I CB -0.214 37.804 38.000 0.030 0.000 1.044 80 I HN 0.197 nan 8.210 nan 0.000 0.408 81 I N 0.635 121.245 120.570 0.068 0.000 2.099 81 I HA -0.325 3.846 4.170 0.001 0.000 0.239 81 I C 2.830 179.024 176.117 0.129 0.000 1.066 81 I CA 1.565 62.931 61.300 0.111 0.000 1.324 81 I CB -0.589 37.459 38.000 0.080 0.000 1.037 81 I HN 0.198 nan 8.210 nan 0.000 0.401 82 A N 1.114 123.985 122.820 0.084 0.000 1.908 82 A HA -0.268 4.053 4.320 0.001 0.000 0.218 82 A C 2.278 179.909 177.584 0.078 0.000 1.181 82 A CA 2.159 54.239 52.037 0.072 0.000 0.627 82 A CB -0.863 18.169 19.000 0.052 0.000 0.818 82 A HN 0.676 nan 8.150 nan 0.000 0.445 83 E N -0.170 120.079 120.200 0.081 0.000 2.106 83 E HA -0.116 4.235 4.350 0.001 0.000 0.192 83 E C 1.745 178.417 176.600 0.120 0.000 0.984 83 E CA 1.592 58.040 56.400 0.080 0.000 0.806 83 E CB -0.518 29.221 29.700 0.065 0.000 0.750 83 E HN 0.319 nan 8.360 nan 0.000 0.458 84 V N 1.921 121.944 119.914 0.182 0.000 2.379 84 V HA -0.193 3.928 4.120 0.001 0.000 0.245 84 V C 2.702 178.978 176.094 0.303 0.000 1.044 84 V CA 1.693 64.180 62.300 0.311 0.000 1.036 84 V CB -0.722 31.341 31.823 0.401 0.000 0.664 84 V HN 0.469 nan 8.190 nan 0.000 0.453 85 A N 0.217 123.142 122.820 0.173 0.000 1.908 85 A HA -0.297 4.024 4.320 0.001 0.000 0.218 85 A C 2.184 179.781 177.584 0.022 0.000 1.181 85 A CA 2.270 54.314 52.037 0.012 0.000 0.627 85 A CB -0.525 18.480 19.000 0.008 0.000 0.818 85 A HN 0.595 nan 8.150 nan 0.000 0.445 86 E N 0.223 120.451 120.200 0.047 0.000 2.023 86 E HA -0.234 4.117 4.350 0.001 0.000 0.196 86 E C 2.015 178.620 176.600 0.009 0.000 1.003 86 E CA 2.008 58.421 56.400 0.021 0.000 0.809 86 E CB -0.292 29.423 29.700 0.025 0.000 0.755 86 E HN 0.559 nan 8.360 nan 0.000 0.449 87 K N -1.176 119.238 120.400 0.023 0.000 2.113 87 K HA -0.176 4.145 4.320 0.001 0.000 0.208 87 K C 1.483 177.961 176.600 -0.203 0.000 1.047 87 K CA 1.644 57.881 56.287 -0.084 0.000 0.928 87 K CB -0.258 32.192 32.500 -0.084 0.000 0.716 87 K HN 0.210 nan 8.250 nan 0.000 0.446 88 F N -0.370 119.530 119.950 -0.084 0.000 2.727 88 F HA 0.219 4.747 4.527 0.002 0.000 0.302 88 F C 1.192 176.911 175.800 -0.136 0.000 1.097 88 F CA 0.513 58.438 58.000 -0.125 0.000 1.330 88 F CB 0.875 39.730 39.000 -0.242 0.000 1.084 88 F HN 0.218 nan 8.300 nan 0.000 0.578 89 G N 2.384 111.190 108.800 0.010 0.000 2.273 89 G HA2 -0.293 3.667 3.960 0.001 0.000 0.280 89 G HA3 -0.293 3.667 3.960 0.001 0.000 0.280 89 G C 0.156 175.019 174.900 -0.061 0.000 1.047 89 G CA 0.439 45.523 45.100 -0.027 0.000 0.869 89 G HN 0.497 nan 8.290 nan 0.000 0.502 90 I N -2.246 118.257 120.570 -0.110 0.000 2.474 90 I HA 0.728 4.899 4.170 0.001 0.000 0.294 90 I C -2.248 173.752 176.117 -0.195 0.000 1.005 90 I CA -3.237 57.955 61.300 -0.179 0.000 1.113 90 I CB 2.356 40.189 38.000 -0.279 0.000 1.289 90 I HN -0.101 nan 8.210 nan 0.000 0.436 91 P HA 0.223 nan 4.420 nan 0.000 0.272 91 P C -1.030 176.160 177.300 -0.183 0.000 1.223 91 P CA -0.334 62.556 63.100 -0.350 0.000 0.784 91 P CB 1.213 32.376 31.700 -0.894 0.000 0.923 92 M N 1.747 121.289 119.600 -0.096 0.000 2.263 92 M HA 0.556 5.037 4.480 0.001 0.000 0.295 92 M C -0.488 175.842 176.300 0.050 0.000 1.028 92 M CA -0.459 54.843 55.300 0.004 0.000 0.921 92 M CB 2.094 34.712 32.600 0.031 0.000 1.601 92 M HN 0.434 nan 8.290 nan 0.000 0.440 93 G N 2.973 111.825 108.800 0.086 0.000 2.451 93 G HA2 0.599 4.560 3.960 0.001 0.000 0.303 93 G HA3 0.599 4.560 3.960 0.001 0.000 0.303 93 G C -0.591 174.379 174.900 0.117 0.000 1.166 93 G CA -0.589 44.580 45.100 0.115 0.000 0.884 93 G HN 0.791 nan 8.290 nan 0.000 0.514 94 V N -0.702 119.298 119.914 0.144 0.000 3.093 94 V HA 0.928 5.049 4.120 0.001 0.000 0.320 94 V C 1.004 177.225 176.094 0.212 0.000 1.093 94 V CA -0.383 62.037 62.300 0.199 0.000 1.016 94 V CB 1.032 33.054 31.823 0.331 0.000 1.096 94 V HN 1.019 nan 8.190 nan 0.000 0.452 95 G N 0.353 109.316 108.800 0.270 0.000 2.716 95 G HA2 0.314 4.275 3.960 0.001 0.000 0.251 95 G HA3 0.314 4.275 3.960 0.001 0.000 0.251 95 G C 0.256 175.328 174.900 0.286 0.000 1.224 95 G CA 0.261 45.508 45.100 0.245 0.000 0.891 95 G HN 1.272 nan 8.290 nan 0.000 0.561 96 S N -1.089 114.721 115.700 0.182 0.000 2.546 96 S HA -0.010 4.460 4.470 0.001 0.000 0.290 96 S C 1.183 175.801 174.600 0.031 0.000 1.290 96 S CA 0.101 58.372 58.200 0.118 0.000 1.069 96 S CB 0.453 63.746 63.200 0.154 0.000 0.846 96 S HN 0.564 nan 8.310 nan 0.000 0.495 97 Q N 3.152 122.820 119.800 -0.220 0.000 2.360 97 Q HA 0.102 4.443 4.340 0.001 0.000 0.202 97 Q C 2.097 177.953 176.000 -0.239 0.000 0.915 97 Q CA -0.216 55.253 55.803 -0.557 0.000 0.943 97 Q CB 0.122 28.473 28.738 -0.646 0.000 1.064 97 Q HN 0.680 nan 8.270 nan 0.000 0.511 98 R N 0.574 121.033 120.500 -0.068 0.000 2.115 98 R HA -0.202 4.139 4.340 0.001 0.000 0.239 98 R C 2.089 178.426 176.300 0.062 0.000 1.133 98 R CA 1.871 57.995 56.100 0.040 0.000 0.935 98 R CB -0.691 29.615 30.300 0.010 0.000 0.853 98 R HN 0.284 nan 8.270 nan 0.000 0.433 99 V N 0.882 120.841 119.914 0.075 0.000 2.453 99 V HA -0.237 3.884 4.120 0.001 0.000 0.252 99 V C 2.144 178.302 176.094 0.107 0.000 1.068 99 V CA 2.294 64.660 62.300 0.109 0.000 1.070 99 V CB -0.436 31.481 31.823 0.157 0.000 0.664 99 V HN 0.562 nan 8.190 nan 0.000 0.461 100 A N -0.750 122.107 122.820 0.062 0.000 2.072 100 A HA 0.096 4.416 4.320 0.001 0.000 0.216 100 A C 2.017 179.594 177.584 -0.011 0.000 1.156 100 A CA 1.047 53.107 52.037 0.037 0.000 0.701 100 A CB -0.309 18.636 19.000 -0.091 0.000 0.816 100 A HN 0.482 nan 8.150 nan 0.000 0.458 101 I N 0.252 120.808 120.570 -0.023 0.000 2.286 101 I HA -0.135 4.035 4.170 0.001 0.000 0.245 101 I C 2.149 178.263 176.117 -0.006 0.000 1.104 101 I CA 1.315 62.598 61.300 -0.028 0.000 1.397 101 I CB -1.320 36.669 38.000 -0.019 0.000 1.072 101 I HN 0.446 nan 8.210 nan 0.000 0.417 102 E N 0.655 120.876 120.200 0.036 0.000 2.152 102 E HA -0.080 4.271 4.350 0.001 0.000 0.192 102 E C 0.219 176.838 176.600 0.031 0.000 0.983 102 E CA 0.785 57.208 56.400 0.038 0.000 0.818 102 E CB 0.213 29.950 29.700 0.061 0.000 0.758 102 E HN 0.376 nan 8.360 nan 0.000 0.467 103 K N -0.690 119.733 120.400 0.040 0.000 2.578 103 K HA 0.388 4.708 4.320 0.001 0.000 0.250 103 K C -0.235 176.392 176.600 0.046 0.000 0.955 103 K CA -0.225 56.086 56.287 0.040 0.000 0.825 103 K CB 1.956 34.484 32.500 0.048 0.000 1.151 103 K HN -0.090 nan 8.250 nan 0.000 0.432 104 A N 2.666 125.506 122.820 0.033 0.000 2.070 104 A HA -0.163 4.158 4.320 0.001 0.000 0.220 104 A C 1.343 178.956 177.584 0.047 0.000 1.159 104 A CA 1.401 53.460 52.037 0.035 0.000 0.656 104 A CB -0.326 18.688 19.000 0.022 0.000 0.800 104 A HN 0.827 nan 8.150 nan 0.000 0.453 105 E N 0.451 120.678 120.200 0.046 0.000 2.153 105 E HA -0.010 4.341 4.350 0.001 0.000 0.194 105 E C 1.914 178.552 176.600 0.063 0.000 0.988 105 E CA 1.189 57.616 56.400 0.045 0.000 0.811 105 E CB -0.466 29.255 29.700 0.035 0.000 0.746 105 E HN 0.575 nan 8.360 nan 0.000 0.466 106 A N 0.973 123.847 122.820 0.091 0.000 2.119 106 A HA -0.042 4.278 4.320 0.001 0.000 0.216 106 A C 1.843 179.567 177.584 0.232 0.000 1.152 106 A CA 0.538 52.660 52.037 0.142 0.000 0.708 106 A CB -0.230 18.881 19.000 0.186 0.000 0.805 106 A HN 0.061 nan 8.150 nan 0.000 0.460 107 R N -0.412 120.196 120.500 0.181 0.000 2.127 107 R HA -0.172 4.168 4.340 0.001 0.000 0.238 107 R C 2.026 178.442 176.300 0.193 0.000 1.134 107 R CA 1.454 57.672 56.100 0.196 0.000 0.975 107 R CB -0.139 30.219 30.300 0.097 0.000 0.865 107 R HN 0.545 nan 8.270 nan 0.000 0.447 108 E N 0.895 121.165 120.200 0.117 0.000 2.047 108 E HA -0.130 4.221 4.350 0.001 0.000 0.191 108 E C 1.742 178.370 176.600 0.047 0.000 0.987 108 E CA 1.870 58.313 56.400 0.072 0.000 0.799 108 E CB -0.113 29.611 29.700 0.040 0.000 0.752 108 E HN 0.271 nan 8.360 nan 0.000 0.449 109 S N -1.065 114.630 115.700 -0.009 0.000 2.493 109 S HA -0.111 4.360 4.470 0.001 0.000 0.243 109 S C 1.648 176.060 174.600 -0.314 0.000 0.991 109 S CA 0.909 59.007 58.200 -0.170 0.000 0.957 109 S CB -0.532 62.511 63.200 -0.262 0.000 0.756 109 S HN 0.263 nan 8.310 nan 0.000 0.521 110 F N 1.191 121.152 119.950 0.019 0.000 2.453 110 F HA 0.496 5.024 4.527 0.001 0.000 0.284 110 F C 2.673 178.485 175.800 0.019 0.000 1.065 110 F CA 0.165 58.177 58.000 0.020 0.000 1.411 110 F CB -0.705 38.305 39.000 0.017 0.000 1.131 110 F HN 0.230 nan 8.300 nan 0.000 0.582 111 A N 0.216 123.157 122.820 0.202 0.000 2.019 111 A HA -0.170 4.151 4.320 0.001 0.000 0.219 111 A C 2.069 179.699 177.584 0.077 0.000 1.164 111 A CA 1.346 53.454 52.037 0.118 0.000 0.644 111 A CB -1.012 18.042 19.000 0.091 0.000 0.805 111 A HN 0.364 nan 8.150 nan 0.000 0.449 112 I N -0.328 120.276 120.570 0.057 0.000 2.264 112 I HA -0.199 3.972 4.170 0.001 0.000 0.248 112 I C 2.249 178.388 176.117 0.037 0.000 1.111 112 I CA 1.257 62.577 61.300 0.033 0.000 1.382 112 I CB -0.139 37.867 38.000 0.010 0.000 1.060 112 I HN 0.133 nan 8.210 nan 0.000 0.418 113 V N 0.681 120.624 119.914 0.049 0.000 2.252 113 V HA -0.337 3.784 4.120 0.001 0.000 0.249 113 V C 2.693 178.817 176.094 0.050 0.000 1.056 113 V CA 2.329 64.661 62.300 0.053 0.000 1.022 113 V CB -0.857 31.011 31.823 0.075 0.000 0.641 113 V HN 0.406 nan 8.190 nan 0.000 0.445 114 R N 0.182 120.715 120.500 0.055 0.000 2.148 114 R HA -0.043 4.298 4.340 0.001 0.000 0.223 114 R C 2.150 178.471 176.300 0.035 0.000 1.088 114 R CA 1.250 57.376 56.100 0.044 0.000 0.985 114 R CB -0.427 29.900 30.300 0.045 0.000 0.880 114 R HN 0.463 nan 8.270 nan 0.000 0.451 115 K N -0.823 119.597 120.400 0.035 0.000 2.009 115 K HA -0.104 4.217 4.320 0.001 0.000 0.210 115 K C 1.686 178.301 176.600 0.025 0.000 1.049 115 K CA 1.741 58.045 56.287 0.028 0.000 0.929 115 K CB -0.387 32.130 32.500 0.027 0.000 0.714 115 K HN 0.085 nan 8.250 nan 0.000 0.440 116 V N 0.025 119.955 119.914 0.028 0.000 3.506 116 V HA 0.116 4.236 4.120 0.001 0.000 0.263 116 V C 0.063 176.174 176.094 0.028 0.000 1.203 116 V CA 0.539 62.856 62.300 0.027 0.000 1.133 116 V CB 0.473 32.314 31.823 0.030 0.000 0.802 116 V HN 0.270 nan 8.190 nan 0.000 0.459 117 A N 0.799 123.636 122.820 0.029 0.000 3.159 117 A HA 0.580 4.901 4.320 0.001 0.000 0.330 117 A C -1.624 175.974 177.584 0.022 0.000 1.032 117 A CA -0.761 51.291 52.037 0.025 0.000 0.841 117 A CB 0.538 19.555 19.000 0.029 0.000 1.093 117 A HN 0.279 nan 8.150 nan 0.000 0.478 118 P HA -0.101 nan 4.420 nan 0.000 0.225 118 P C 1.234 178.544 177.300 0.016 0.000 1.156 118 P CA 1.899 65.010 63.100 0.018 0.000 0.787 118 P CB 0.181 31.889 31.700 0.015 0.000 0.802 119 T N -2.921 111.640 114.554 0.011 0.000 3.018 119 T HA 0.161 4.512 4.350 0.001 0.000 0.246 119 T C 1.269 175.974 174.700 0.009 0.000 1.026 119 T CA -0.270 61.836 62.100 0.010 0.000 1.081 119 T CB -0.977 67.894 68.868 0.004 0.000 0.970 119 T HN 0.091 nan 8.240 nan 0.000 0.475 120 I N 0.580 121.149 120.570 -0.002 0.000 2.882 120 I HA 0.457 4.628 4.170 0.001 0.000 0.286 120 I C -2.857 173.252 176.117 -0.014 0.000 1.139 120 I CA -2.611 58.675 61.300 -0.023 0.000 1.379 120 I CB -0.121 37.851 38.000 -0.046 0.000 1.410 120 I HN -0.189 nan 8.210 nan 0.000 0.594 121 P HA 0.210 nan 4.420 nan 0.000 0.267 121 P C -0.807 176.483 177.300 -0.016 0.000 1.209 121 P CA 0.174 63.275 63.100 0.002 0.000 0.763 121 P CB 0.377 32.040 31.700 -0.061 0.000 0.816 122 I N 4.949 125.554 120.570 0.058 0.000 2.441 122 I HA 0.365 4.536 4.170 0.001 0.000 0.295 122 I C 0.222 176.408 176.117 0.115 0.000 0.994 122 I CA -0.805 60.536 61.300 0.067 0.000 1.144 122 I CB 1.472 39.510 38.000 0.063 0.000 1.314 122 I HN 0.207 nan 8.210 nan 0.000 0.445 123 I N 4.686 125.332 120.570 0.126 0.000 2.410 123 I HA 0.479 4.649 4.170 0.001 0.000 0.286 123 I C 0.654 176.833 176.117 0.102 0.000 1.009 123 I CA -0.234 61.160 61.300 0.156 0.000 1.111 123 I CB 1.626 39.771 38.000 0.241 0.000 1.262 123 I HN 0.640 nan 8.210 nan 0.000 0.443 124 A N 5.198 128.051 122.820 0.054 0.000 2.366 124 A HA 0.455 4.776 4.320 0.001 0.000 0.250 124 A C 0.106 177.675 177.584 -0.024 0.000 1.099 124 A CA -0.087 51.944 52.037 -0.010 0.000 0.794 124 A CB 0.270 19.227 19.000 -0.072 0.000 1.056 124 A HN 0.779 nan 8.150 nan 0.000 0.499 125 N N -0.017 118.633 118.700 -0.083 0.000 2.503 125 N HA 0.496 5.237 4.740 0.001 0.000 0.287 125 N C -1.984 173.434 175.510 -0.154 0.000 1.096 125 N CA -0.249 52.766 53.050 -0.058 0.000 0.936 125 N CB 1.071 39.590 38.487 0.055 0.000 1.570 125 N HN 0.578 nan 8.380 nan 0.000 0.504 126 L N 1.014 122.088 121.223 -0.248 0.000 2.393 126 L HA 0.626 4.967 4.340 0.001 0.000 0.260 126 L C 0.745 177.289 176.870 -0.544 0.000 1.002 126 L CA -1.108 53.516 54.840 -0.362 0.000 0.818 126 L CB 2.152 43.878 42.059 -0.556 0.000 1.369 126 L HN 0.534 nan 8.230 nan 0.000 0.412 127 G N 0.393 108.793 108.800 -0.668 0.000 2.372 127 G HA2 0.340 4.300 3.960 0.001 0.000 0.283 127 G HA3 0.340 4.300 3.960 0.001 0.000 0.283 127 G C 0.524 175.067 174.900 -0.595 0.000 1.177 127 G CA -0.439 44.021 45.100 -1.065 0.000 0.842 127 G HN 0.666 nan 8.290 nan 0.000 0.503 128 M N 3.756 123.058 119.600 -0.497 0.000 2.108 128 M HA -0.052 4.429 4.480 0.001 0.000 0.257 128 M C -0.365 175.664 176.300 -0.452 0.000 1.071 128 M CA 1.687 56.781 55.300 -0.344 0.000 1.093 128 M CB -0.815 31.653 32.600 -0.220 0.000 1.345 128 M HN 0.373 nan 8.290 nan 0.000 0.403 129 P HA -0.133 nan 4.420 nan 0.000 0.216 129 P C 1.204 178.311 177.300 -0.322 0.000 1.150 129 P CA 1.210 64.036 63.100 -0.457 0.000 0.837 129 P CB -0.153 31.366 31.700 -0.301 0.000 0.786 130 Q N -0.808 118.760 119.800 -0.387 0.000 2.234 130 Q HA -0.081 4.260 4.340 0.001 0.000 0.206 130 Q C 2.059 177.907 176.000 -0.254 0.000 0.980 130 Q CA 1.054 56.550 55.803 -0.512 0.000 0.869 130 Q CB -1.201 26.842 28.738 -1.158 0.000 0.912 130 Q HN 0.286 nan 8.270 nan 0.000 0.436 131 L N -0.881 120.242 121.223 -0.166 0.000 2.201 131 L HA -0.124 4.216 4.340 0.001 0.000 0.212 131 L C 1.740 178.589 176.870 -0.034 0.000 1.105 131 L CA 0.689 55.495 54.840 -0.056 0.000 0.775 131 L CB -0.186 41.809 42.059 -0.107 0.000 0.913 131 L HN 0.118 nan 8.230 nan 0.000 0.440 132 V N -0.704 119.178 119.914 -0.054 0.000 2.788 132 V HA -0.151 3.970 4.120 0.001 0.000 0.251 132 V C 1.416 177.554 176.094 0.074 0.000 1.068 132 V CA 1.234 63.561 62.300 0.045 0.000 1.090 132 V CB -0.300 31.497 31.823 -0.043 0.000 0.710 132 V HN 0.349 nan 8.190 nan 0.000 0.467 133 K N 0.592 121.013 120.400 0.034 0.000 2.811 133 K HA 0.417 4.738 4.320 0.001 0.000 0.217 133 K C 0.965 177.662 176.600 0.161 0.000 1.115 133 K CA 0.463 56.790 56.287 0.066 0.000 1.179 133 K CB 0.332 32.842 32.500 0.017 0.000 0.994 133 K HN 0.409 nan 8.250 nan 0.000 0.464 134 G N 1.009 109.914 108.800 0.174 0.000 2.225 134 G HA2 -0.288 3.673 3.960 0.001 0.000 0.264 134 G HA3 -0.288 3.673 3.960 0.001 0.000 0.264 134 G C -0.528 174.514 174.900 0.238 0.000 1.060 134 G CA -0.165 45.041 45.100 0.176 0.000 0.833 134 G HN 0.264 nan 8.290 nan 0.000 0.498 135 Y N -0.132 120.187 120.300 0.033 0.000 2.335 135 Y HA 0.629 5.180 4.550 0.001 0.000 0.323 135 Y C 1.107 177.024 175.900 0.028 0.000 1.224 135 Y CA 0.149 58.286 58.100 0.061 0.000 1.241 135 Y CB 1.834 40.365 38.460 0.118 0.000 1.235 135 Y HN 0.433 nan 8.280 nan 0.000 0.492 136 G N 0.472 109.348 108.800 0.128 0.000 2.815 136 G HA2 0.283 4.243 3.960 0.001 0.000 0.305 136 G HA3 0.283 4.243 3.960 0.001 0.000 0.305 136 G C -0.182 174.691 174.900 -0.046 0.000 1.277 136 G CA -0.670 44.412 45.100 -0.030 0.000 0.795 136 G HN 0.593 nan 8.290 nan 0.000 0.528 137 L N -0.048 121.102 121.223 -0.121 0.000 2.085 137 L HA -0.117 4.224 4.340 0.001 0.000 0.218 137 L C 2.524 179.408 176.870 0.023 0.000 1.080 137 L CA 2.774 57.564 54.840 -0.084 0.000 0.776 137 L CB -0.297 41.714 42.059 -0.081 0.000 0.891 137 L HN 0.533 nan 8.230 nan 0.000 0.437 138 K N -0.672 119.733 120.400 0.008 0.000 2.116 138 K HA -0.092 4.228 4.320 0.001 0.000 0.203 138 K C 1.936 178.548 176.600 0.020 0.000 1.052 138 K CA 1.168 57.458 56.287 0.006 0.000 0.952 138 K CB -0.032 32.452 32.500 -0.027 0.000 0.729 138 K HN 0.356 nan 8.250 nan 0.000 0.446 139 E N -0.531 119.683 120.200 0.023 0.000 2.110 139 E HA -0.103 4.248 4.350 0.001 0.000 0.193 139 E C 1.623 178.297 176.600 0.123 0.000 0.988 139 E CA 1.186 57.585 56.400 -0.002 0.000 0.804 139 E CB -0.231 29.375 29.700 -0.156 0.000 0.745 139 E HN 0.258 nan 8.360 nan 0.000 0.458 140 F N 1.028 120.967 119.950 -0.019 0.000 2.075 140 F HA -0.241 4.287 4.527 0.001 0.000 0.297 140 F C 2.476 178.256 175.800 -0.034 0.000 1.113 140 F CA 1.313 59.303 58.000 -0.017 0.000 1.218 140 F CB -0.163 38.823 39.000 -0.023 0.000 0.984 140 F HN -0.000 nan 8.300 nan 0.000 0.472 141 Q N -0.090 119.802 119.800 0.153 0.000 2.181 141 Q HA -0.246 4.095 4.340 0.001 0.000 0.205 141 Q C 1.582 177.591 176.000 0.015 0.000 0.980 141 Q CA 1.871 57.710 55.803 0.059 0.000 0.862 141 Q CB -0.281 28.480 28.738 0.037 0.000 0.905 141 Q HN 0.392 nan 8.270 nan 0.000 0.429 142 D N -0.032 120.369 120.400 0.001 0.000 2.087 142 D HA -0.171 4.470 4.640 0.001 0.000 0.192 142 D C 1.771 178.037 176.300 -0.057 0.000 0.993 142 D CA 1.612 55.592 54.000 -0.032 0.000 0.828 142 D CB -0.167 40.602 40.800 -0.051 0.000 0.968 142 D HN 0.291 nan 8.370 nan 0.000 0.448 143 A N 0.140 122.905 122.820 -0.090 0.000 1.892 143 A HA -0.211 4.110 4.320 0.001 0.000 0.218 143 A C 2.300 179.828 177.584 -0.093 0.000 1.188 143 A CA 1.456 53.407 52.037 -0.144 0.000 0.631 143 A CB -0.953 17.916 19.000 -0.217 0.000 0.822 143 A HN 0.273 nan 8.150 nan 0.000 0.447 144 I N 0.052 120.588 120.570 -0.057 0.000 2.076 144 I HA -0.340 3.830 4.170 0.001 0.000 0.237 144 I C 2.791 178.901 176.117 -0.010 0.000 1.059 144 I CA 2.012 63.298 61.300 -0.024 0.000 1.317 144 I CB -0.486 37.514 38.000 -0.001 0.000 1.037 144 I HN 0.590 nan 8.210 nan 0.000 0.398 145 Q N 0.916 120.712 119.800 -0.007 0.000 2.291 145 Q HA -0.192 4.149 4.340 0.001 0.000 0.205 145 Q C 2.038 178.040 176.000 0.004 0.000 0.970 145 Q CA 1.506 57.310 55.803 0.001 0.000 0.876 145 Q CB -0.890 27.849 28.738 0.001 0.000 0.935 145 Q HN 0.585 nan 8.270 nan 0.000 0.455 146 M N 0.731 120.327 119.600 -0.006 0.000 2.267 146 M HA -0.035 4.446 4.480 0.001 0.000 0.263 146 M C 1.015 177.336 176.300 0.034 0.000 1.063 146 M CA 1.661 56.965 55.300 0.005 0.000 1.090 146 M CB 0.095 32.680 32.600 -0.024 0.000 1.392 146 M HN 0.534 nan 8.290 nan 0.000 0.422 147 I N -3.792 116.797 120.570 0.033 0.000 4.160 147 I HA 0.323 4.494 4.170 0.001 0.000 0.325 147 I C -0.685 175.458 176.117 0.043 0.000 1.455 147 I CA -0.357 60.977 61.300 0.055 0.000 1.142 147 I CB -0.032 38.019 38.000 0.083 0.000 1.262 147 I HN 0.133 nan 8.210 nan 0.000 0.483 148 E N 2.142 122.359 120.200 0.029 0.000 2.228 148 E HA -0.194 4.157 4.350 0.001 0.000 0.213 148 E C 0.524 177.144 176.600 0.033 0.000 1.282 148 E CA 0.359 56.775 56.400 0.026 0.000 0.707 148 E CB -0.913 28.803 29.700 0.027 0.000 1.150 148 E HN 0.741 nan 8.360 nan 0.000 0.362 149 A N 0.849 123.687 122.820 0.031 0.000 2.445 149 A HA 0.042 4.363 4.320 0.001 0.000 0.242 149 A C 0.966 178.576 177.584 0.044 0.000 1.075 149 A CA 0.130 52.193 52.037 0.043 0.000 0.777 149 A CB 0.390 19.409 19.000 0.032 0.000 1.013 149 A HN 0.311 nan 8.150 nan 0.000 0.493 150 D N 0.252 120.700 120.400 0.080 0.000 2.350 150 D HA 0.362 5.003 4.640 0.001 0.000 0.213 150 D C 0.479 176.793 176.300 0.022 0.000 1.031 150 D CA 1.443 55.493 54.000 0.084 0.000 0.861 150 D CB 0.424 41.331 40.800 0.179 0.000 0.926 150 D HN 0.728 nan 8.370 nan 0.000 0.520 151 A N 0.380 123.225 122.820 0.041 0.000 2.586 151 A HA 0.587 4.908 4.320 0.001 0.000 0.291 151 A C -1.828 175.772 177.584 0.026 0.000 1.062 151 A CA -0.668 51.341 52.037 -0.046 0.000 0.666 151 A CB 1.236 20.198 19.000 -0.063 0.000 1.281 151 A HN 0.066 nan 8.150 nan 0.000 0.421 152 I N 0.504 121.075 120.570 0.001 0.000 2.509 152 I HA 0.735 4.905 4.170 0.001 0.000 0.293 152 I C 0.068 176.202 176.117 0.028 0.000 1.020 152 I CA -0.710 60.590 61.300 0.000 0.000 1.088 152 I CB 1.734 39.703 38.000 -0.052 0.000 1.267 152 I HN 1.007 nan 8.210 nan 0.000 0.430 153 A N 7.360 130.198 122.820 0.030 0.000 2.260 153 A HA 0.648 4.968 4.320 0.001 0.000 0.314 153 A C -0.926 176.654 177.584 -0.006 0.000 1.257 153 A CA -0.460 51.611 52.037 0.056 0.000 0.871 153 A CB 0.860 19.922 19.000 0.104 0.000 1.166 153 A HN 0.481 nan 8.150 nan 0.000 0.522 154 V N 5.705 125.621 119.914 0.003 0.000 2.383 154 V HA 0.254 4.375 4.120 0.001 0.000 0.275 154 V C 0.383 176.474 176.094 -0.005 0.000 1.036 154 V CA -0.561 61.704 62.300 -0.057 0.000 0.889 154 V CB 0.781 32.614 31.823 0.017 0.000 0.985 154 V HN 0.981 nan 8.190 nan 0.000 0.459 155 H N 5.066 124.128 119.070 -0.014 0.000 2.502 155 H HA 0.590 5.147 4.556 0.001 0.000 0.327 155 H C -1.110 174.254 175.328 0.059 0.000 1.099 155 H CA -1.038 55.013 56.048 0.004 0.000 1.323 155 H CB 1.372 31.105 29.762 -0.047 0.000 1.450 155 H HN 0.465 nan 8.280 nan 0.000 0.502 156 L N 3.893 125.267 121.223 0.252 0.000 2.264 156 L HA 0.140 4.481 4.340 0.001 0.000 0.289 156 L C 0.113 177.110 176.870 0.212 0.000 1.044 156 L CA -0.624 54.377 54.840 0.269 0.000 0.807 156 L CB 0.659 42.825 42.059 0.178 0.000 1.192 156 L HN 0.740 nan 8.230 nan 0.000 0.425 157 N N 3.176 122.041 118.700 0.274 0.000 2.646 157 N HA 0.157 4.898 4.740 0.001 0.000 0.296 157 N C -2.457 173.092 175.510 0.064 0.000 1.886 157 N CA -1.461 51.657 53.050 0.113 0.000 0.855 157 N CB 0.603 39.108 38.487 0.030 0.000 1.336 157 N HN 0.185 nan 8.380 nan 0.000 0.496 158 P HA -0.041 nan 4.420 nan 0.000 0.216 158 P C 1.453 178.675 177.300 -0.130 0.000 1.153 158 P CA 1.421 64.336 63.100 -0.308 0.000 0.844 158 P CB 0.250 31.531 31.700 -0.700 0.000 0.787 159 A N 0.742 123.531 122.820 -0.052 0.000 1.869 159 A HA -0.304 4.017 4.320 0.001 0.000 0.218 159 A C 2.552 180.194 177.584 0.097 0.000 1.203 159 A CA 2.502 54.557 52.037 0.030 0.000 0.638 159 A CB -1.874 17.233 19.000 0.180 0.000 0.831 159 A HN 0.224 nan 8.150 nan 0.000 0.450 160 Q N -1.181 118.688 119.800 0.114 0.000 2.030 160 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 160 Q C 2.032 178.085 176.000 0.088 0.000 0.986 160 Q CA 1.808 57.696 55.803 0.142 0.000 0.843 160 Q CB -0.209 28.570 28.738 0.068 0.000 0.904 160 Q HN 0.660 nan 8.270 nan 0.000 0.420 161 E N -0.077 120.151 120.200 0.046 0.000 2.097 161 E HA -0.182 4.169 4.350 0.001 0.000 0.196 161 E C 2.152 178.707 176.600 -0.075 0.000 1.000 161 E CA 1.132 57.548 56.400 0.027 0.000 0.804 161 E CB -0.428 29.328 29.700 0.094 0.000 0.740 161 E HN 0.248 nan 8.360 nan 0.000 0.454 162 V N 0.403 120.198 119.914 -0.198 0.000 2.332 162 V HA -0.245 3.876 4.120 0.001 0.000 0.248 162 V C 1.982 177.722 176.094 -0.589 0.000 1.055 162 V CA 1.844 63.857 62.300 -0.478 0.000 1.038 162 V CB -0.456 30.894 31.823 -0.790 0.000 0.651 162 V HN 0.144 nan 8.190 nan 0.000 0.450 163 F N -1.222 118.626 119.950 -0.169 0.000 2.656 163 F HA 0.223 4.750 4.527 0.001 0.000 0.291 163 F C 1.385 177.121 175.800 -0.106 0.000 1.122 163 F CA -0.250 57.646 58.000 -0.173 0.000 1.427 163 F CB -0.254 38.646 39.000 -0.167 0.000 1.125 163 F HN 0.069 nan 8.300 nan 0.000 0.583 164 Q N 3.335 123.194 119.800 0.097 0.000 2.368 164 Q HA -0.097 4.244 4.340 0.001 0.000 0.331 164 Q C -1.524 174.484 176.000 0.013 0.000 1.086 164 Q CA -0.788 55.064 55.803 0.083 0.000 1.031 164 Q CB 0.899 29.691 28.738 0.090 0.000 1.125 164 Q HN -0.012 nan 8.270 nan 0.000 0.389 165 P HA -0.205 nan 4.420 nan 0.000 0.215 165 P C 0.288 177.584 177.300 -0.007 0.000 1.157 165 P CA 1.503 64.594 63.100 -0.016 0.000 0.863 165 P CB -0.007 31.693 31.700 0.000 0.000 0.787 166 E N 0.654 120.862 120.200 0.013 0.000 2.394 166 E HA 0.144 4.495 4.350 0.001 0.000 0.191 166 E C 0.696 177.304 176.600 0.013 0.000 1.044 166 E CA -0.379 56.029 56.400 0.013 0.000 0.939 166 E CB -0.826 28.884 29.700 0.017 0.000 1.089 166 E HN -0.014 nan 8.360 nan 0.000 0.456 167 G N 1.004 109.808 108.800 0.007 0.000 2.554 167 G HA2 0.094 4.055 3.960 0.001 0.000 0.238 167 G HA3 0.094 4.055 3.960 0.001 0.000 0.238 167 G C -0.588 174.311 174.900 -0.002 0.000 1.259 167 G CA -0.474 44.631 45.100 0.008 0.000 0.843 167 G HN 0.228 nan 8.290 nan 0.000 0.582 168 E N 1.871 122.079 120.200 0.012 0.000 2.376 168 E HA 0.212 4.563 4.350 0.001 0.000 0.236 168 E C -2.285 174.339 176.600 0.040 0.000 0.962 168 E CA -1.586 54.818 56.400 0.007 0.000 0.768 168 E CB 2.123 31.815 29.700 -0.013 0.000 1.236 168 E HN 0.259 nan 8.360 nan 0.000 0.431 169 P HA 0.120 nan 4.420 nan 0.000 0.219 169 P C -1.101 176.290 177.300 0.151 0.000 1.832 169 P CA -0.232 62.933 63.100 0.108 0.000 1.014 169 P CB 0.033 31.722 31.700 -0.019 0.000 1.939 170 E N 1.011 121.296 120.200 0.141 0.000 2.185 170 E HA 0.327 4.678 4.350 0.001 0.000 0.261 170 E C -1.087 175.501 176.600 -0.019 0.000 0.879 170 E CA -0.526 55.919 56.400 0.074 0.000 0.756 170 E CB 1.169 30.862 29.700 -0.011 0.000 1.152 170 E HN 0.198 nan 8.360 nan 0.000 0.416 171 Y N 1.585 121.882 120.300 -0.005 0.000 2.555 171 Y HA 0.171 4.722 4.550 0.001 0.000 0.317 171 Y C -0.275 175.629 175.900 0.006 0.000 0.928 171 Y CA -0.735 57.363 58.100 -0.004 0.000 1.116 171 Y CB 0.721 39.179 38.460 -0.004 0.000 1.169 171 Y HN 0.452 nan 8.280 nan 0.000 0.627 172 Q N 0.532 120.388 119.800 0.094 0.000 2.395 172 Q HA 0.061 4.402 4.340 0.001 0.000 0.271 172 Q C 1.559 177.607 176.000 0.079 0.000 1.026 172 Q CA 0.163 56.024 55.803 0.096 0.000 0.900 172 Q CB 0.988 29.790 28.738 0.106 0.000 1.266 172 Q HN 0.640 nan 8.270 nan 0.000 0.430 173 I N 1.813 122.429 120.570 0.077 0.000 2.335 173 I HA -0.311 3.860 4.170 0.001 0.000 0.251 173 I C 1.606 177.734 176.117 0.019 0.000 1.129 173 I CA 1.347 62.663 61.300 0.025 0.000 1.402 173 I CB -0.213 37.827 38.000 0.067 0.000 1.069 173 I HN 0.848 nan 8.210 nan 0.000 0.424 174 Y N 1.329 121.616 120.300 -0.022 0.000 2.172 174 Y HA -0.438 4.113 4.550 0.001 0.000 0.280 174 Y C 2.336 178.203 175.900 -0.055 0.000 1.209 174 Y CA 2.057 60.145 58.100 -0.020 0.000 1.171 174 Y CB -0.456 37.995 38.460 -0.014 0.000 0.965 174 Y HN 0.275 nan 8.280 nan 0.000 0.520 175 A N 0.166 122.859 122.820 -0.212 0.000 1.972 175 A HA -0.143 4.178 4.320 0.001 0.000 0.219 175 A C 2.238 179.621 177.584 -0.336 0.000 1.169 175 A CA 1.706 53.548 52.037 -0.324 0.000 0.635 175 A CB -0.901 17.986 19.000 -0.189 0.000 0.810 175 A HN 0.604 nan 8.150 nan 0.000 0.446 176 L N -1.205 119.812 121.223 -0.343 0.000 2.072 176 L HA -0.155 4.186 4.340 0.001 0.000 0.205 176 L C 2.524 179.239 176.870 -0.258 0.000 1.079 176 L CA 1.469 56.032 54.840 -0.461 0.000 0.752 176 L CB -0.668 40.779 42.059 -1.021 0.000 0.906 176 L HN 0.414 nan 8.230 nan 0.000 0.436 177 E N 0.305 120.434 120.200 -0.118 0.000 2.114 177 E HA -0.301 4.050 4.350 0.001 0.000 0.199 177 E C 2.151 178.669 176.600 -0.137 0.000 1.008 177 E CA 1.641 58.066 56.400 0.041 0.000 0.810 177 E CB -0.016 29.714 29.700 0.051 0.000 0.739 177 E HN 0.281 nan 8.360 nan 0.000 0.456 178 K N 0.442 120.631 120.400 -0.353 0.000 2.025 178 K HA -0.088 4.233 4.320 0.001 0.000 0.207 178 K C 2.152 178.574 176.600 -0.296 0.000 1.049 178 K CA 0.763 56.823 56.287 -0.378 0.000 0.933 178 K CB -0.134 32.033 32.500 -0.555 0.000 0.714 178 K HN 0.100 nan 8.250 nan 0.000 0.438 179 L N 1.222 122.280 121.223 -0.274 0.000 2.012 179 L HA -0.251 4.090 4.340 0.001 0.000 0.210 179 L C 2.722 179.489 176.870 -0.172 0.000 1.073 179 L CA 1.604 56.298 54.840 -0.243 0.000 0.748 179 L CB -0.433 41.534 42.059 -0.153 0.000 0.891 179 L HN 0.336 nan 8.230 nan 0.000 0.431 180 R N -0.094 120.358 120.500 -0.081 0.000 2.081 180 R HA -0.189 4.151 4.340 0.001 0.000 0.235 180 R C 1.686 177.941 176.300 -0.074 0.000 1.131 180 R CA 1.911 57.995 56.100 -0.025 0.000 0.960 180 R CB -0.260 30.093 30.300 0.088 0.000 0.856 180 R HN 0.414 nan 8.270 nan 0.000 0.436 181 D N 0.743 121.083 120.400 -0.099 0.000 2.117 181 D HA -0.128 4.513 4.640 0.001 0.000 0.198 181 D C 2.008 178.221 176.300 -0.145 0.000 0.982 181 D CA 1.236 55.171 54.000 -0.108 0.000 0.828 181 D CB -0.218 40.517 40.800 -0.108 0.000 0.967 181 D HN 0.327 nan 8.370 nan 0.000 0.464 182 I N 1.207 121.643 120.570 -0.224 0.000 2.361 182 I HA -0.255 3.916 4.170 0.001 0.000 0.251 182 I C 2.466 178.464 176.117 -0.199 0.000 1.133 182 I CA 1.047 62.173 61.300 -0.290 0.000 1.413 182 I CB -0.238 37.406 38.000 -0.593 0.000 1.073 182 I HN -0.009 nan 8.210 nan 0.000 0.424 183 S N 0.833 116.440 115.700 -0.155 0.000 2.399 183 S HA -0.173 4.297 4.470 0.001 0.000 0.231 183 S C 2.067 176.618 174.600 -0.081 0.000 1.022 183 S CA 0.715 58.857 58.200 -0.097 0.000 0.983 183 S CB -0.154 62.999 63.200 -0.079 0.000 0.803 183 S HN 0.201 nan 8.310 nan 0.000 0.480 184 K N 1.406 121.757 120.400 -0.082 0.000 2.059 184 K HA -0.033 4.288 4.320 0.001 0.000 0.212 184 K C 2.033 178.596 176.600 -0.061 0.000 1.050 184 K CA 1.964 58.211 56.287 -0.067 0.000 0.927 184 K CB -0.787 31.674 32.500 -0.064 0.000 0.714 184 K HN 0.558 nan 8.250 nan 0.000 0.447 185 E N -0.575 119.585 120.200 -0.068 0.000 2.472 185 E HA 0.091 4.442 4.350 0.001 0.000 0.196 185 E C -0.508 176.065 176.600 -0.044 0.000 1.033 185 E CA -0.106 56.261 56.400 -0.055 0.000 0.886 185 E CB 0.273 29.937 29.700 -0.060 0.000 0.944 185 E HN -0.070 nan 8.360 nan 0.000 0.492 186 L N 0.665 121.860 121.223 -0.047 0.000 2.350 186 L HA 0.148 4.489 4.340 0.001 0.000 0.275 186 L C 1.285 178.133 176.870 -0.035 0.000 1.099 186 L CA 0.334 55.158 54.840 -0.027 0.000 0.808 186 L CB 1.420 43.473 42.059 -0.011 0.000 1.149 186 L HN 0.050 nan 8.230 nan 0.000 0.442 187 S N 1.798 117.481 115.700 -0.027 0.000 2.461 187 S HA 0.054 4.525 4.470 0.001 0.000 0.228 187 S C 0.465 175.029 174.600 -0.061 0.000 1.005 187 S CA 0.419 58.597 58.200 -0.037 0.000 0.942 187 S CB -0.464 62.722 63.200 -0.024 0.000 0.776 187 S HN 0.436 nan 8.310 nan 0.000 0.514 188 V N -2.054 117.816 119.914 -0.073 0.000 3.046 188 V HA 0.761 4.881 4.120 0.001 0.000 0.316 188 V C -3.179 172.801 176.094 -0.190 0.000 1.104 188 V CA -2.960 59.259 62.300 -0.134 0.000 1.006 188 V CB 1.029 32.790 31.823 -0.104 0.000 1.058 188 V HN -0.045 nan 8.190 nan 0.000 0.440 189 P HA 0.554 nan 4.420 nan 0.000 0.276 189 P C -0.815 176.331 177.300 -0.257 0.000 1.244 189 P CA -0.368 62.505 63.100 -0.380 0.000 0.801 189 P CB 0.602 31.864 31.700 -0.730 0.000 1.006 190 I N 1.485 121.975 120.570 -0.133 0.000 2.359 190 I HA 0.328 4.499 4.170 0.001 0.000 0.294 190 I C 0.154 176.263 176.117 -0.012 0.000 0.987 190 I CA -0.544 60.735 61.300 -0.035 0.000 1.225 190 I CB 0.737 38.742 38.000 0.007 0.000 1.366 190 I HN 0.096 nan 8.210 nan 0.000 0.466 191 I N 6.452 127.052 120.570 0.051 0.000 2.377 191 I HA 0.339 4.510 4.170 0.001 0.000 0.293 191 I C -0.491 175.644 176.117 0.030 0.000 0.987 191 I CA -0.869 60.470 61.300 0.066 0.000 1.185 191 I CB 1.737 39.848 38.000 0.185 0.000 1.341 191 I HN 0.151 nan 8.210 nan 0.000 0.455 192 V N 6.714 126.610 119.914 -0.029 0.000 2.394 192 V HA 0.382 4.502 4.120 0.001 0.000 0.282 192 V C -0.004 176.170 176.094 0.134 0.000 1.031 192 V CA -0.586 61.747 62.300 0.055 0.000 0.881 192 V CB 1.205 33.068 31.823 0.067 0.000 0.982 192 V HN 0.782 nan 8.190 nan 0.000 0.451 193 K N 3.416 123.900 120.400 0.140 0.000 2.385 193 K HA 0.719 5.040 4.320 0.001 0.000 0.248 193 K C -0.578 176.103 176.600 0.135 0.000 0.955 193 K CA -0.878 55.494 56.287 0.141 0.000 0.816 193 K CB 2.859 35.431 32.500 0.121 0.000 1.250 193 K HN 0.398 nan 8.250 nan 0.000 0.434 194 E N 0.538 120.802 120.200 0.107 0.000 3.099 194 E HA 0.240 4.590 4.350 0.001 0.000 0.259 194 E C -0.489 176.129 176.600 0.028 0.000 1.274 194 E CA -0.239 56.210 56.400 0.081 0.000 1.111 194 E CB 1.335 31.078 29.700 0.073 0.000 1.327 194 E HN 0.748 nan 8.360 nan 0.000 0.652 195 S N -1.322 114.376 115.700 -0.004 0.000 2.539 195 S HA 0.448 4.918 4.470 0.001 0.000 0.185 195 S C 0.526 175.163 174.600 0.062 0.000 1.181 195 S CA 0.054 58.190 58.200 -0.107 0.000 1.216 195 S CB 0.303 63.286 63.200 -0.362 0.000 1.476 195 S HN 0.762 nan 8.310 nan 0.000 0.395 196 G N 2.069 110.950 108.800 0.135 0.000 2.176 196 G HA2 -0.237 3.723 3.960 0.001 0.000 0.232 196 G HA3 -0.237 3.723 3.960 0.001 0.000 0.232 196 G C 0.503 175.480 174.900 0.128 0.000 0.986 196 G CA 0.197 45.412 45.100 0.193 0.000 0.643 196 G HN 0.569 nan 8.290 nan 0.000 0.522 197 N N 0.801 119.567 118.700 0.110 0.000 2.159 197 N HA 0.397 5.137 4.740 0.001 0.000 0.217 197 N C 0.991 176.522 175.510 0.035 0.000 1.223 197 N CA 0.909 54.022 53.050 0.105 0.000 0.896 197 N CB 1.611 40.227 38.487 0.214 0.000 1.064 197 N HN 1.535 nan 8.380 nan 0.000 0.518 198 G N 1.786 110.597 108.800 0.019 0.000 2.733 198 G HA2 -0.210 3.751 3.960 0.001 0.000 0.686 198 G HA3 -0.210 3.751 3.960 0.001 0.000 0.686 198 G C -0.781 174.123 174.900 0.007 0.000 1.373 198 G CA -0.766 44.323 45.100 -0.019 0.000 0.838 198 G HN 0.142 nan 8.290 nan 0.000 0.588 199 I N 1.912 122.482 120.570 -0.001 0.000 2.321 199 I HA 0.401 4.572 4.170 0.001 0.000 0.291 199 I C 1.184 177.294 176.117 -0.010 0.000 0.998 199 I CA -0.340 60.968 61.300 0.013 0.000 1.227 199 I CB 1.539 39.553 38.000 0.023 0.000 1.368 199 I HN 0.819 nan 8.210 nan 0.000 0.466 200 S N 6.168 121.879 115.700 0.018 0.000 2.645 200 S HA 0.251 4.721 4.470 0.001 0.000 0.266 200 S C 1.170 175.781 174.600 0.017 0.000 1.258 200 S CA -0.796 57.430 58.200 0.043 0.000 0.990 200 S CB 1.200 64.437 63.200 0.062 0.000 0.967 200 S HN 0.815 nan 8.310 nan 0.000 0.556 201 M N -0.757 118.869 119.600 0.044 0.000 2.296 201 M HA 0.009 4.490 4.480 0.001 0.000 0.265 201 M C 1.275 177.594 176.300 0.032 0.000 1.064 201 M CA 1.536 56.852 55.300 0.027 0.000 1.109 201 M CB -0.826 31.822 32.600 0.079 0.000 1.396 201 M HN 0.654 nan 8.290 nan 0.000 0.430 202 E N 1.495 121.725 120.200 0.050 0.000 2.031 202 E HA -0.115 4.236 4.350 0.001 0.000 0.193 202 E C 2.057 178.700 176.600 0.072 0.000 0.994 202 E CA 2.393 58.830 56.400 0.062 0.000 0.800 202 E CB -0.671 29.067 29.700 0.063 0.000 0.752 202 E HN 0.524 nan 8.360 nan 0.000 0.447 203 T N 0.590 115.183 114.554 0.066 0.000 2.746 203 T HA -0.168 4.182 4.350 0.001 0.000 0.267 203 T C 1.897 176.657 174.700 0.099 0.000 1.039 203 T CA 1.308 63.459 62.100 0.086 0.000 1.142 203 T CB -0.440 68.476 68.868 0.081 0.000 0.866 203 T HN 0.288 nan 8.240 nan 0.000 0.444 204 A N 1.925 124.744 122.820 -0.002 0.000 1.851 204 A HA -0.190 4.130 4.320 0.001 0.000 0.216 204 A C 2.253 179.866 177.584 0.048 0.000 1.195 204 A CA 1.923 53.866 52.037 -0.157 0.000 0.622 204 A CB -0.598 18.137 19.000 -0.441 0.000 0.831 204 A HN 0.457 nan 8.150 nan 0.000 0.444 205 K N -1.028 119.403 120.400 0.052 0.000 2.074 205 K HA -0.182 4.138 4.320 0.001 0.000 0.209 205 K C 1.955 178.707 176.600 0.253 0.000 1.048 205 K CA 1.574 57.949 56.287 0.147 0.000 0.926 205 K CB -0.419 32.139 32.500 0.095 0.000 0.713 205 K HN 0.416 nan 8.250 nan 0.000 0.444 206 L N 1.305 122.659 121.223 0.219 0.000 1.994 206 L HA -0.165 4.176 4.340 0.001 0.000 0.208 206 L C 1.945 179.026 176.870 0.351 0.000 1.071 206 L CA 1.519 56.517 54.840 0.263 0.000 0.745 206 L CB -0.322 41.852 42.059 0.192 0.000 0.892 206 L HN 0.137 nan 8.230 nan 0.000 0.431 207 L N -1.718 119.705 121.223 0.333 0.000 2.042 207 L HA -0.275 4.066 4.340 0.001 0.000 0.210 207 L C 2.518 179.647 176.870 0.432 0.000 1.076 207 L CA 1.642 56.703 54.840 0.369 0.000 0.749 207 L CB -0.767 41.580 42.059 0.479 0.000 0.893 207 L HN 0.379 nan 8.230 nan 0.000 0.432 208 Y N 0.835 121.359 120.300 0.374 0.000 2.181 208 Y HA -0.302 4.249 4.550 0.001 0.000 0.288 208 Y C 2.936 178.957 175.900 0.202 0.000 1.146 208 Y CA 1.508 59.798 58.100 0.316 0.000 1.164 208 Y CB -0.318 38.311 38.460 0.281 0.000 0.982 208 Y HN 0.280 nan 8.280 nan 0.000 0.515 209 S N -1.288 114.554 115.700 0.237 0.000 2.465 209 S HA -0.241 4.230 4.470 0.001 0.000 0.241 209 S C 1.229 175.773 174.600 -0.093 0.000 1.000 209 S CA 1.235 59.465 58.200 0.050 0.000 0.964 209 S CB -1.010 62.254 63.200 0.107 0.000 0.763 209 S HN 0.528 nan 8.310 nan 0.000 0.512 210 Y N 1.673 121.961 120.300 -0.020 0.000 2.493 210 Y HA 0.449 5.000 4.550 0.001 0.000 0.275 210 Y C 1.780 177.626 175.900 -0.089 0.000 1.183 210 Y CA -0.399 57.675 58.100 -0.043 0.000 1.258 210 Y CB 0.094 38.546 38.460 -0.012 0.000 1.108 210 Y HN 0.411 nan 8.280 nan 0.000 0.521 211 G N 0.119 108.877 108.800 -0.070 0.000 2.141 211 G HA2 -0.238 3.723 3.960 0.001 0.000 0.242 211 G HA3 -0.238 3.723 3.960 0.001 0.000 0.242 211 G C -0.046 174.804 174.900 -0.084 0.000 0.982 211 G CA -0.273 44.741 45.100 -0.143 0.000 0.662 211 G HN 0.120 nan 8.290 nan 0.000 0.527 212 I N 0.601 121.168 120.570 -0.005 0.000 2.416 212 I HA 0.261 4.432 4.170 0.001 0.000 0.288 212 I C 1.192 177.306 176.117 -0.006 0.000 1.051 212 I CA 0.385 61.654 61.300 -0.052 0.000 1.375 212 I CB 1.212 39.165 38.000 -0.078 0.000 1.407 212 I HN 0.145 nan 8.210 nan 0.000 0.516 213 K N 4.108 124.460 120.400 -0.080 0.000 2.412 213 K HA 0.200 4.521 4.320 0.001 0.000 0.202 213 K C -0.217 176.386 176.600 0.005 0.000 1.102 213 K CA 0.009 56.374 56.287 0.131 0.000 1.027 213 K CB 0.664 33.277 32.500 0.187 0.000 0.931 213 K HN 0.538 nan 8.250 nan 0.000 0.557 214 N N 1.014 119.541 118.700 -0.287 0.000 2.407 214 N HA 0.323 5.063 4.740 0.001 0.000 0.277 214 N C -1.145 174.105 175.510 -0.433 0.000 0.995 214 N CA -0.207 52.791 53.050 -0.087 0.000 0.903 214 N CB 1.133 39.800 38.487 0.300 0.000 1.218 214 N HN -0.134 nan 8.380 nan 0.000 0.487 215 F N -0.045 119.947 119.950 0.070 0.000 2.563 215 F HA 0.315 4.843 4.527 0.001 0.000 0.316 215 F C 0.187 175.972 175.800 -0.025 0.000 1.076 215 F CA -0.968 57.056 58.000 0.040 0.000 0.921 215 F CB 1.944 40.968 39.000 0.040 0.000 1.209 215 F HN 0.216 nan 8.300 nan 0.000 0.462 216 D N 0.511 121.031 120.400 0.200 0.000 2.505 216 D HA 0.197 4.837 4.640 0.001 0.000 0.250 216 D C 0.822 177.186 176.300 0.107 0.000 1.164 216 D CA -0.358 53.707 54.000 0.107 0.000 0.870 216 D CB 1.505 42.366 40.800 0.101 0.000 1.160 216 D HN 0.605 nan 8.370 nan 0.000 0.549 217 T N 0.748 115.340 114.554 0.064 0.000 2.652 217 T HA -0.157 4.194 4.350 0.001 0.000 0.267 217 T C 1.155 175.874 174.700 0.032 0.000 1.039 217 T CA 1.074 63.195 62.100 0.035 0.000 1.153 217 T CB -0.596 68.265 68.868 -0.011 0.000 0.863 217 T HN 0.542 nan 8.240 nan 0.000 0.428 218 S N 1.402 117.121 115.700 0.033 0.000 3.405 218 S HA -0.048 4.423 4.470 0.001 0.000 0.373 218 S C 0.533 175.146 174.600 0.021 0.000 0.939 218 S CA 0.208 58.432 58.200 0.039 0.000 1.295 218 S CB -1.655 61.578 63.200 0.054 0.000 0.919 218 S HN 1.156 nan 8.310 nan 0.000 0.535 219 G N 1.606 110.395 108.800 -0.018 0.000 2.588 219 G HA2 0.516 4.477 3.960 0.001 0.000 0.281 219 G HA3 0.516 4.477 3.960 0.001 0.000 0.281 219 G C -0.025 174.848 174.900 -0.046 0.000 1.236 219 G CA -0.272 44.789 45.100 -0.065 0.000 0.969 219 G HN 0.939 nan 8.290 nan 0.000 0.504 220 Q N -1.695 118.051 119.800 -0.091 0.000 2.417 220 Q HA 0.496 4.837 4.340 0.001 0.000 0.241 220 Q C 0.783 176.737 176.000 -0.076 0.000 1.008 220 Q CA 0.092 55.858 55.803 -0.062 0.000 0.901 220 Q CB 1.042 29.732 28.738 -0.081 0.000 1.259 220 Q HN 1.467 nan 8.270 nan 0.000 0.489 221 G N 0.078 108.854 108.800 -0.040 0.000 2.255 221 G HA2 -0.134 3.827 3.960 0.001 0.000 0.196 221 G HA3 -0.134 3.827 3.960 0.001 0.000 0.196 221 G C 0.223 175.112 174.900 -0.018 0.000 0.998 221 G CA -0.251 44.831 45.100 -0.030 0.000 0.656 221 G HN 1.042 nan 8.290 nan 0.000 0.490 222 G N -0.345 108.447 108.800 -0.013 0.000 3.099 222 G HA2 0.534 4.494 3.960 0.001 0.000 0.151 222 G HA3 0.534 4.494 3.960 0.001 0.000 0.151 222 G C 0.207 175.084 174.900 -0.038 0.000 1.265 222 G CA 0.537 45.629 45.100 -0.013 0.000 0.981 222 G HN 0.698 nan 8.290 nan 0.000 0.601 223 T N 1.735 116.260 114.554 -0.048 0.000 2.800 223 T HA 0.028 4.379 4.350 0.001 0.000 0.283 223 T C 0.247 174.844 174.700 -0.172 0.000 0.999 223 T CA 0.349 62.350 62.100 -0.165 0.000 1.176 223 T CB 0.016 68.787 68.868 -0.161 0.000 0.973 223 T HN 0.396 nan 8.240 nan 0.000 0.519 224 N N 2.251 120.795 118.700 -0.259 0.000 2.558 224 N HA 0.125 4.866 4.740 0.001 0.000 0.233 224 N C 0.174 175.531 175.510 -0.256 0.000 1.038 224 N CA -0.572 52.384 53.050 -0.157 0.000 0.934 224 N CB 0.353 38.776 38.487 -0.108 0.000 1.175 224 N HN 0.689 nan 8.380 nan 0.000 0.512 225 W N 3.054 124.326 121.300 -0.047 0.000 2.467 225 W HA 0.123 4.784 4.660 0.001 0.000 0.275 225 W C 1.846 178.336 176.519 -0.047 0.000 1.239 225 W CA 0.127 57.431 57.345 -0.069 0.000 1.266 225 W CB 0.027 29.441 29.460 -0.077 0.000 1.112 225 W HN 0.542 nan 8.180 nan 0.000 0.576 226 I N 0.024 120.681 120.570 0.145 0.000 2.226 226 I HA -0.310 3.861 4.170 0.001 0.000 0.245 226 I C 2.559 178.624 176.117 -0.087 0.000 1.100 226 I CA 1.402 62.709 61.300 0.012 0.000 1.374 226 I CB -0.836 37.125 38.000 -0.065 0.000 1.057 226 I HN -0.053 nan 8.210 nan 0.000 0.413 227 A N 0.827 123.588 122.820 -0.099 0.000 1.933 227 A HA -0.149 4.172 4.320 0.001 0.000 0.218 227 A C 2.299 179.803 177.584 -0.133 0.000 1.175 227 A CA 1.411 53.372 52.037 -0.127 0.000 0.628 227 A CB -0.730 18.189 19.000 -0.134 0.000 0.814 227 A HN 0.380 nan 8.150 nan 0.000 0.444 228 I N -0.431 120.027 120.570 -0.187 0.000 2.252 228 I HA -0.182 3.988 4.170 0.001 0.000 0.245 228 I C 2.349 178.454 176.117 -0.021 0.000 1.102 228 I CA 1.133 62.315 61.300 -0.196 0.000 1.385 228 I CB -0.246 37.452 38.000 -0.505 0.000 1.064 228 I HN 0.277 nan 8.210 nan 0.000 0.414 229 E N 0.311 120.544 120.200 0.056 0.000 2.150 229 E HA -0.228 4.123 4.350 0.001 0.000 0.193 229 E C 2.056 178.678 176.600 0.036 0.000 0.985 229 E CA 0.996 57.461 56.400 0.108 0.000 0.814 229 E CB -0.343 29.463 29.700 0.176 0.000 0.752 229 E HN 0.506 nan 8.360 nan 0.000 0.466 230 M N 0.549 120.131 119.600 -0.029 0.000 2.080 230 M HA -0.189 4.291 4.480 0.001 0.000 0.260 230 M C 2.153 178.435 176.300 -0.031 0.000 1.068 230 M CA 1.529 56.794 55.300 -0.059 0.000 1.109 230 M CB -0.136 32.398 32.600 -0.109 0.000 1.342 230 M HN 0.022 nan 8.290 nan 0.000 0.405 231 I N -0.118 120.434 120.570 -0.030 0.000 2.208 231 I HA -0.328 3.843 4.170 0.001 0.000 0.245 231 I C 2.436 178.558 176.117 0.007 0.000 1.097 231 I CA 1.402 62.693 61.300 -0.016 0.000 1.363 231 I CB -0.474 37.510 38.000 -0.027 0.000 1.051 231 I HN 0.368 nan 8.210 nan 0.000 0.413 232 R N 0.466 120.982 120.500 0.027 0.000 2.092 232 R HA -0.143 4.198 4.340 0.001 0.000 0.231 232 R C 1.868 178.183 176.300 0.025 0.000 1.119 232 R CA 1.342 57.467 56.100 0.042 0.000 0.970 232 R CB -0.314 30.033 30.300 0.079 0.000 0.864 232 R HN 0.352 nan 8.270 nan 0.000 0.440 233 D N 0.892 121.300 120.400 0.013 0.000 2.097 233 D HA -0.121 4.519 4.640 0.001 0.000 0.195 233 D C 1.923 178.224 176.300 0.001 0.000 0.989 233 D CA 1.057 55.053 54.000 -0.008 0.000 0.827 233 D CB -0.186 40.593 40.800 -0.034 0.000 0.966 233 D HN 0.158 nan 8.370 nan 0.000 0.456 234 I N 0.571 121.143 120.570 0.003 0.000 2.151 234 I HA -0.310 3.861 4.170 0.001 0.000 0.243 234 I C 2.489 178.617 176.117 0.018 0.000 1.080 234 I CA 1.213 62.520 61.300 0.011 0.000 1.339 234 I CB -0.112 37.891 38.000 0.005 0.000 1.039 234 I HN -0.083 nan 8.210 nan 0.000 0.409 235 R N 0.222 120.732 120.500 0.016 0.000 2.120 235 R HA -0.111 4.230 4.340 0.001 0.000 0.234 235 R C 1.946 178.260 176.300 0.023 0.000 1.123 235 R CA 1.161 57.273 56.100 0.019 0.000 0.975 235 R CB -0.111 30.201 30.300 0.020 0.000 0.866 235 R HN 0.217 nan 8.270 nan 0.000 0.446 236 R N -0.734 119.780 120.500 0.025 0.000 2.356 236 R HA 0.134 4.475 4.340 0.001 0.000 0.234 236 R C 0.552 176.877 176.300 0.042 0.000 0.929 236 R CA 0.500 56.618 56.100 0.030 0.000 1.084 236 R CB 0.635 30.951 30.300 0.027 0.000 1.105 236 R HN 0.306 nan 8.270 nan 0.000 0.515 237 G N 1.645 110.471 108.800 0.043 0.000 2.361 237 G HA2 -0.368 3.592 3.960 0.001 0.000 0.294 237 G HA3 -0.368 3.592 3.960 0.001 0.000 0.294 237 G C -0.198 174.756 174.900 0.090 0.000 1.004 237 G CA 0.409 45.546 45.100 0.061 0.000 0.870 237 G HN 0.391 nan 8.290 nan 0.000 0.510 238 N N 0.651 119.386 118.700 0.059 0.000 2.483 238 N HA 0.074 4.814 4.740 0.001 0.000 0.264 238 N C 1.775 177.301 175.510 0.027 0.000 1.197 238 N CA -0.257 52.815 53.050 0.036 0.000 0.927 238 N CB 0.116 38.566 38.487 -0.063 0.000 1.065 238 N HN 0.451 nan 8.380 nan 0.000 0.461 239 W N 4.489 125.811 121.300 0.037 0.000 2.392 239 W HA -0.052 4.609 4.660 0.001 0.000 0.279 239 W C 0.800 177.354 176.519 0.058 0.000 1.225 239 W CA 0.134 57.503 57.345 0.040 0.000 1.233 239 W CB -0.575 28.905 29.460 0.033 0.000 1.122 239 W HN 0.499 nan 8.180 nan 0.000 0.561 240 K N 1.176 121.141 120.400 -0.724 0.000 2.286 240 K HA -0.129 4.192 4.320 0.001 0.000 0.203 240 K C 2.499 179.018 176.600 -0.135 0.000 1.045 240 K CA 1.754 57.711 56.287 -0.551 0.000 0.935 240 K CB -0.426 31.733 32.500 -0.569 0.000 0.737 240 K HN 0.160 nan 8.250 nan 0.000 0.460 241 A N 1.651 124.422 122.820 -0.082 0.000 1.903 241 A HA -0.292 4.029 4.320 0.001 0.000 0.219 241 A C 1.877 179.454 177.584 -0.012 0.000 1.191 241 A CA 1.973 53.990 52.037 -0.033 0.000 0.638 241 A CB -0.421 18.576 19.000 -0.005 0.000 0.823 241 A HN 0.374 nan 8.150 nan 0.000 0.451 242 E N -0.527 119.697 120.200 0.041 0.000 2.107 242 E HA -0.057 4.294 4.350 0.001 0.000 0.191 242 E C 2.322 178.970 176.600 0.080 0.000 0.982 242 E CA 0.996 57.433 56.400 0.061 0.000 0.809 242 E CB -0.123 29.637 29.700 0.100 0.000 0.756 242 E HN 0.561 nan 8.360 nan 0.000 0.459 243 S N 0.954 116.728 115.700 0.123 0.000 2.359 243 S HA -0.234 4.237 4.470 0.001 0.000 0.224 243 S C 2.181 176.875 174.600 0.157 0.000 1.035 243 S CA 1.088 59.420 58.200 0.219 0.000 1.018 243 S CB -0.369 62.989 63.200 0.263 0.000 0.876 243 S HN 0.417 nan 8.310 nan 0.000 0.448 244 A N 1.684 124.419 122.820 -0.141 0.000 1.892 244 A HA -0.251 4.070 4.320 0.001 0.000 0.218 244 A C 2.008 179.410 177.584 -0.303 0.000 1.188 244 A CA 2.171 53.773 52.037 -0.725 0.000 0.631 244 A CB -0.711 17.937 19.000 -0.588 0.000 0.822 244 A HN 0.496 nan 8.150 nan 0.000 0.447 245 K N -0.328 119.999 120.400 -0.122 0.000 2.173 245 K HA -0.232 4.089 4.320 0.001 0.000 0.207 245 K C 1.571 178.157 176.600 -0.022 0.000 1.046 245 K CA 1.949 58.201 56.287 -0.058 0.000 0.929 245 K CB -0.315 32.172 32.500 -0.022 0.000 0.720 245 K HN 0.674 nan 8.250 nan 0.000 0.453 246 N N -1.090 117.626 118.700 0.027 0.000 2.459 246 N HA -0.067 4.674 4.740 0.001 0.000 0.181 246 N C 0.387 175.807 175.510 -0.151 0.000 1.046 246 N CA 0.576 53.610 53.050 -0.027 0.000 0.904 246 N CB 0.141 38.627 38.487 -0.002 0.000 0.964 246 N HN 0.089 nan 8.380 nan 0.000 0.444 247 F N -0.073 119.811 119.950 -0.110 0.000 2.653 247 F HA 0.314 4.842 4.527 0.001 0.000 0.304 247 F C 1.201 176.992 175.800 -0.016 0.000 1.092 247 F CA -0.233 57.737 58.000 -0.050 0.000 1.279 247 F CB 0.132 39.001 39.000 -0.219 0.000 1.044 247 F HN -0.030 nan 8.300 nan 0.000 0.564 248 L N 0.541 121.799 121.223 0.058 0.000 2.261 248 L HA -0.204 4.136 4.340 0.001 0.000 0.216 248 L C 1.445 178.361 176.870 0.075 0.000 1.114 248 L CA 1.452 56.310 54.840 0.030 0.000 0.777 248 L CB -0.305 41.745 42.059 -0.015 0.000 0.910 248 L HN 0.231 nan 8.230 nan 0.000 0.440 249 D N -2.565 117.897 120.400 0.103 0.000 2.462 249 D HA -0.092 4.548 4.640 0.001 0.000 0.221 249 D C 0.334 176.724 176.300 0.149 0.000 1.173 249 D CA -0.484 53.570 54.000 0.090 0.000 0.831 249 D CB -0.296 40.534 40.800 0.049 0.000 1.001 249 D HN 0.143 nan 8.370 nan 0.000 0.499 250 W N 1.868 123.200 121.300 0.052 0.000 2.181 250 W HA 0.378 5.039 4.660 0.001 0.000 0.335 250 W C 0.368 176.935 176.519 0.079 0.000 1.310 250 W CA 2.104 59.514 57.345 0.110 0.000 1.226 250 W CB 0.863 30.495 29.460 0.288 0.000 1.155 250 W HN 0.270 nan 8.180 nan 0.000 0.565 251 G N 2.298 110.861 108.800 -0.395 0.000 2.355 251 G HA2 -0.015 3.946 3.960 0.001 0.000 0.619 251 G HA3 -0.015 3.946 3.960 0.001 0.000 0.619 251 G C -2.019 172.727 174.900 -0.257 0.000 1.337 251 G CA -0.985 43.962 45.100 -0.255 0.000 0.993 251 G HN 0.556 nan 8.290 nan 0.000 0.599 252 V N 2.117 121.901 119.914 -0.216 0.000 2.432 252 V HA 0.455 4.575 4.120 0.001 0.000 0.275 252 V C -1.681 174.131 176.094 -0.470 0.000 1.043 252 V CA -1.091 60.999 62.300 -0.350 0.000 0.925 252 V CB 1.430 33.116 31.823 -0.228 0.000 0.985 252 V HN 0.606 nan 8.190 nan 0.000 0.466 253 P HA 0.118 nan 4.420 nan 0.000 0.268 253 P C 1.124 178.120 177.300 -0.507 0.000 1.205 253 P CA 0.140 62.806 63.100 -0.723 0.000 0.771 253 P CB 0.491 31.351 31.700 -1.400 0.000 0.858 254 T N 2.189 116.570 114.554 -0.288 0.000 2.597 254 T HA -0.293 4.057 4.350 0.001 0.000 0.267 254 T C 1.776 176.367 174.700 -0.183 0.000 1.053 254 T CA 2.419 64.412 62.100 -0.178 0.000 1.165 254 T CB -0.859 67.954 68.868 -0.091 0.000 0.863 254 T HN 0.491 nan 8.240 nan 0.000 0.427 255 A N 1.515 124.238 122.820 -0.162 0.000 1.892 255 A HA 0.000 4.321 4.320 0.001 0.000 0.218 255 A C 2.679 180.138 177.584 -0.209 0.000 1.188 255 A CA 2.312 54.278 52.037 -0.118 0.000 0.631 255 A CB -1.275 17.707 19.000 -0.029 0.000 0.822 255 A HN 0.569 nan 8.150 nan 0.000 0.447 256 A N -1.176 121.401 122.820 -0.405 0.000 1.933 256 A HA -0.096 4.224 4.320 0.001 0.000 0.218 256 A C 2.478 179.827 177.584 -0.393 0.000 1.175 256 A CA 2.201 53.872 52.037 -0.610 0.000 0.628 256 A CB -0.951 17.186 19.000 -1.437 0.000 0.814 256 A HN 0.554 nan 8.150 nan 0.000 0.444 257 S N -0.398 115.105 115.700 -0.328 0.000 2.356 257 S HA -0.135 4.336 4.470 0.001 0.000 0.223 257 S C 1.898 176.437 174.600 -0.102 0.000 1.032 257 S CA 1.414 59.507 58.200 -0.178 0.000 1.005 257 S CB -0.543 62.568 63.200 -0.149 0.000 0.867 257 S HN 0.487 nan 8.310 nan 0.000 0.449 258 I N 1.389 121.906 120.570 -0.088 0.000 2.118 258 I HA -0.307 3.864 4.170 0.001 0.000 0.241 258 I C 2.584 178.719 176.117 0.029 0.000 1.070 258 I CA 1.792 63.077 61.300 -0.024 0.000 1.327 258 I CB -0.392 37.602 38.000 -0.009 0.000 1.034 258 I HN 0.388 nan 8.210 nan 0.000 0.405 259 M N -0.271 119.321 119.600 -0.013 0.000 2.067 259 M HA -0.223 4.258 4.480 0.001 0.000 0.260 259 M C 2.279 178.619 176.300 0.066 0.000 1.069 259 M CA 1.795 57.091 55.300 -0.006 0.000 1.117 259 M CB -0.626 31.790 32.600 -0.307 0.000 1.334 259 M HN 0.195 nan 8.290 nan 0.000 0.407 260 E N 0.020 120.222 120.200 0.003 0.000 2.058 260 E HA -0.187 4.164 4.350 0.001 0.000 0.194 260 E C 2.105 178.741 176.600 0.060 0.000 0.997 260 E CA 1.637 58.072 56.400 0.058 0.000 0.801 260 E CB -0.267 29.467 29.700 0.056 0.000 0.746 260 E HN 0.345 nan 8.360 nan 0.000 0.450 261 V N 1.039 120.941 119.914 -0.021 0.000 2.270 261 V HA -0.242 3.879 4.120 0.001 0.000 0.245 261 V C 2.447 178.509 176.094 -0.054 0.000 1.043 261 V CA 1.987 64.209 62.300 -0.130 0.000 1.014 261 V CB -0.519 31.175 31.823 -0.214 0.000 0.645 261 V HN 0.136 nan 8.190 nan 0.000 0.447 262 R N -0.611 119.919 120.500 0.050 0.000 2.117 262 R HA -0.239 4.102 4.340 0.001 0.000 0.243 262 R C 2.233 178.611 176.300 0.130 0.000 1.143 262 R CA 2.077 58.230 56.100 0.087 0.000 0.968 262 R CB -0.715 29.675 30.300 0.150 0.000 0.863 262 R HN 0.617 nan 8.270 nan 0.000 0.444 263 Y N 0.307 120.672 120.300 0.109 0.000 2.184 263 Y HA -0.100 4.451 4.550 0.001 0.000 0.290 263 Y C 2.400 178.304 175.900 0.006 0.000 1.129 263 Y CA 1.859 60.028 58.100 0.116 0.000 1.144 263 Y CB -0.233 38.338 38.460 0.186 0.000 0.995 263 Y HN 0.279 nan 8.280 nan 0.000 0.513 264 S N -0.855 114.889 115.700 0.073 0.000 2.436 264 S HA -0.023 4.448 4.470 0.001 0.000 0.228 264 S C 0.669 175.145 174.600 -0.206 0.000 1.014 264 S CA 0.505 58.667 58.200 -0.063 0.000 0.950 264 S CB -0.184 63.014 63.200 -0.003 0.000 0.784 264 S HN 0.233 nan 8.310 nan 0.000 0.504 265 V N 1.746 121.522 119.914 -0.230 0.000 2.465 265 V HA 0.472 4.593 4.120 0.001 0.000 0.263 265 V C -2.543 173.434 176.094 -0.195 0.000 0.981 265 V CA -1.920 60.175 62.300 -0.341 0.000 0.838 265 V CB 1.554 33.072 31.823 -0.509 0.000 1.068 265 V HN -0.029 nan 8.190 nan 0.000 0.458 266 P HA -0.144 nan 4.420 nan 0.000 0.214 266 P C 1.078 178.354 177.300 -0.040 0.000 1.163 266 P CA 1.892 64.933 63.100 -0.099 0.000 0.889 266 P CB 0.077 31.707 31.700 -0.116 0.000 0.790 267 D N -0.374 120.011 120.400 -0.026 0.000 2.358 267 D HA -0.046 4.595 4.640 0.001 0.000 0.241 267 D C 0.024 176.398 176.300 0.124 0.000 1.094 267 D CA 0.164 54.193 54.000 0.049 0.000 0.907 267 D CB -0.811 40.032 40.800 0.071 0.000 0.893 267 D HN 0.186 nan 8.370 nan 0.000 0.528 268 S N -0.145 115.636 115.700 0.135 0.000 2.585 268 S HA 0.278 4.749 4.470 0.001 0.000 0.273 268 S C -0.181 174.577 174.600 0.262 0.000 1.339 268 S CA -1.031 57.332 58.200 0.272 0.000 1.028 268 S CB 0.704 64.119 63.200 0.358 0.000 0.906 268 S HN 0.179 nan 8.310 nan 0.000 0.528 269 F N 2.642 122.668 119.950 0.128 0.000 2.411 269 F HA 0.593 5.121 4.527 0.001 0.000 0.355 269 F C -0.605 175.245 175.800 0.083 0.000 1.117 269 F CA -1.329 56.685 58.000 0.023 0.000 1.139 269 F CB 0.462 39.402 39.000 -0.100 0.000 1.120 269 F HN 0.589 nan 8.300 nan 0.000 0.493 270 L N 8.048 128.955 121.223 -0.527 0.000 2.406 270 L HA 0.470 4.811 4.340 0.001 0.000 0.270 270 L C -1.381 175.224 176.870 -0.443 0.000 0.982 270 L CA -0.846 53.805 54.840 -0.316 0.000 0.843 270 L CB 1.646 43.656 42.059 -0.081 0.000 1.225 270 L HN 0.382 nan 8.230 nan 0.000 0.412 271 V N 3.537 123.238 119.914 -0.355 0.000 2.530 271 V HA 0.386 4.506 4.120 0.001 0.000 0.282 271 V C 0.882 176.938 176.094 -0.063 0.000 1.048 271 V CA -0.332 61.858 62.300 -0.184 0.000 0.997 271 V CB 1.246 33.022 31.823 -0.079 0.000 0.987 271 V HN 0.882 nan 8.190 nan 0.000 0.477 272 G N 3.417 112.195 108.800 -0.037 0.000 2.428 272 G HA2 0.571 4.532 3.960 0.001 0.000 0.320 272 G HA3 0.571 4.532 3.960 0.001 0.000 0.320 272 G C -0.113 174.792 174.900 0.009 0.000 1.098 272 G CA -0.038 45.055 45.100 -0.013 0.000 0.984 272 G HN 0.913 nan 8.290 nan 0.000 0.444 273 S N 0.936 116.645 115.700 0.016 0.000 2.627 273 S HA 0.894 5.365 4.470 0.001 0.000 0.283 273 S C -0.144 174.471 174.600 0.025 0.000 1.127 273 S CA -0.360 57.859 58.200 0.033 0.000 0.863 273 S CB 2.234 65.466 63.200 0.054 0.000 1.121 273 S HN 2.160 nan 8.310 nan 0.000 0.479 274 G N -0.339 108.482 108.800 0.035 0.000 2.551 274 G HA2 0.473 4.434 3.960 0.001 0.000 0.604 274 G HA3 0.473 4.434 3.960 0.001 0.000 0.604 274 G C 0.764 175.673 174.900 0.015 0.000 1.116 274 G CA 0.113 45.230 45.100 0.029 0.000 1.285 274 G HN 2.430 nan 8.290 nan 0.000 0.586 275 G N 0.183 108.997 108.800 0.023 0.000 2.137 275 G HA2 -0.135 3.826 3.960 0.001 0.000 0.237 275 G HA3 -0.135 3.826 3.960 0.001 0.000 0.237 275 G C 0.431 175.346 174.900 0.025 0.000 1.002 275 G CA 0.175 45.283 45.100 0.015 0.000 0.702 275 G HN 1.473 nan 8.290 nan 0.000 0.515 276 I N 0.713 121.306 120.570 0.039 0.000 2.494 276 I HA 0.233 4.403 4.170 0.001 0.000 0.289 276 I C 1.303 177.464 176.117 0.074 0.000 1.106 276 I CA 0.239 61.569 61.300 0.050 0.000 1.369 276 I CB 0.793 38.828 38.000 0.059 0.000 1.410 276 I HN 0.108 nan 8.210 nan 0.000 0.523 277 R N 3.326 123.864 120.500 0.064 0.000 2.394 277 R HA 0.170 4.511 4.340 0.001 0.000 0.220 277 R C 0.476 176.828 176.300 0.086 0.000 0.887 277 R CA 0.185 56.339 56.100 0.091 0.000 1.034 277 R CB 0.424 30.760 30.300 0.060 0.000 1.179 277 R HN 0.712 nan 8.270 nan 0.000 0.561 278 S N -2.363 113.360 115.700 0.037 0.000 2.661 278 S HA 0.509 4.980 4.470 0.001 0.000 0.285 278 S C 1.026 175.613 174.600 -0.022 0.000 1.138 278 S CA -0.289 57.907 58.200 -0.006 0.000 0.855 278 S CB 1.746 64.946 63.200 -0.001 0.000 1.136 278 S HN 0.030 nan 8.310 nan 0.000 0.484 279 G N 0.079 108.849 108.800 -0.050 0.000 2.470 279 G HA2 -0.049 3.912 3.960 0.001 0.000 0.220 279 G HA3 -0.049 3.912 3.960 0.001 0.000 0.220 279 G C 1.074 175.956 174.900 -0.031 0.000 1.121 279 G CA 0.538 45.612 45.100 -0.043 0.000 0.766 279 G HN 0.658 nan 8.290 nan 0.000 0.553 280 L N 0.147 121.354 121.223 -0.028 0.000 2.056 280 L HA -0.041 4.300 4.340 0.001 0.000 0.207 280 L C 2.225 179.091 176.870 -0.007 0.000 1.078 280 L CA 1.567 56.395 54.840 -0.021 0.000 0.749 280 L CB -0.253 41.796 42.059 -0.018 0.000 0.901 280 L HN 0.107 nan 8.230 nan 0.000 0.433 281 D N 0.240 120.640 120.400 0.000 0.000 2.117 281 D HA -0.163 4.478 4.640 0.001 0.000 0.197 281 D C 2.177 178.483 176.300 0.011 0.000 0.987 281 D CA 1.417 55.423 54.000 0.009 0.000 0.829 281 D CB -0.013 40.798 40.800 0.018 0.000 0.961 281 D HN 0.433 nan 8.370 nan 0.000 0.460 282 A N 1.139 123.965 122.820 0.010 0.000 1.877 282 A HA -0.083 4.237 4.320 0.001 0.000 0.216 282 A C 2.337 179.925 177.584 0.007 0.000 1.186 282 A CA 2.427 54.472 52.037 0.014 0.000 0.620 282 A CB -0.824 18.184 19.000 0.014 0.000 0.822 282 A HN 0.241 nan 8.150 nan 0.000 0.443 283 A N -0.133 122.685 122.820 -0.002 0.000 1.865 283 A HA -0.196 4.124 4.320 0.001 0.000 0.217 283 A C 2.129 179.715 177.584 0.004 0.000 1.191 283 A CA 1.890 53.924 52.037 -0.005 0.000 0.623 283 A CB -0.525 18.467 19.000 -0.014 0.000 0.826 283 A HN 0.538 nan 8.150 nan 0.000 0.444 284 K N -0.402 120.002 120.400 0.006 0.000 2.032 284 K HA -0.150 4.171 4.320 0.001 0.000 0.209 284 K C 2.345 178.955 176.600 0.017 0.000 1.048 284 K CA 1.288 57.583 56.287 0.013 0.000 0.927 284 K CB -0.409 32.097 32.500 0.011 0.000 0.712 284 K HN 0.457 nan 8.250 nan 0.000 0.441 285 A N 1.470 124.297 122.820 0.013 0.000 1.902 285 A HA -0.164 4.157 4.320 0.001 0.000 0.217 285 A C 2.159 179.753 177.584 0.015 0.000 1.181 285 A CA 1.396 53.441 52.037 0.013 0.000 0.623 285 A CB -0.573 18.432 19.000 0.008 0.000 0.818 285 A HN 0.185 nan 8.150 nan 0.000 0.443 286 I N -0.382 120.196 120.570 0.013 0.000 2.163 286 I HA -0.241 3.930 4.170 0.001 0.000 0.240 286 I C 2.999 179.125 176.117 0.015 0.000 1.081 286 I CA 1.010 62.316 61.300 0.011 0.000 1.353 286 I CB -0.380 37.625 38.000 0.010 0.000 1.054 286 I HN 0.339 nan 8.210 nan 0.000 0.407 287 A N 0.653 123.483 122.820 0.017 0.000 1.917 287 A HA -0.224 4.096 4.320 0.001 0.000 0.219 287 A C 2.378 179.986 177.584 0.041 0.000 1.182 287 A CA 1.568 53.618 52.037 0.022 0.000 0.633 287 A CB -0.966 18.047 19.000 0.022 0.000 0.819 287 A HN 0.443 nan 8.150 nan 0.000 0.448 288 L N -2.314 118.944 121.223 0.058 0.000 2.201 288 L HA -0.029 4.312 4.340 0.001 0.000 0.212 288 L C 1.783 178.743 176.870 0.149 0.000 1.105 288 L CA 1.428 56.336 54.840 0.113 0.000 0.775 288 L CB -0.016 42.093 42.059 0.083 0.000 0.913 288 L HN 0.630 nan 8.230 nan 0.000 0.440 289 G N -2.292 106.552 108.800 0.074 0.000 3.578 289 G HA2 -0.029 3.932 3.960 0.001 0.000 0.220 289 G HA3 -0.029 3.932 3.960 0.001 0.000 0.220 289 G C 0.234 175.145 174.900 0.019 0.000 0.933 289 G CA -0.015 45.115 45.100 0.050 0.000 0.847 289 G HN 0.415 nan 8.290 nan 0.000 0.612 290 A N 0.549 123.375 122.820 0.009 0.000 2.386 290 A HA 0.566 4.887 4.320 0.001 0.000 0.248 290 A C 1.001 178.566 177.584 -0.032 0.000 1.082 290 A CA 0.699 52.720 52.037 -0.027 0.000 0.789 290 A CB 0.413 19.396 19.000 -0.028 0.000 1.025 290 A HN 0.098 nan 8.150 nan 0.000 0.490 291 D N -0.304 120.047 120.400 -0.082 0.000 2.201 291 D HA 0.107 4.748 4.640 0.001 0.000 0.209 291 D C 0.496 176.803 176.300 0.010 0.000 0.961 291 D CA 1.693 55.679 54.000 -0.023 0.000 0.861 291 D CB 0.088 40.885 40.800 -0.005 0.000 0.997 291 D HN 0.637 nan 8.370 nan 0.000 0.486 292 I N -2.759 117.781 120.570 -0.050 0.000 2.994 292 I HA 0.620 4.790 4.170 0.001 0.000 0.306 292 I C -1.391 174.732 176.117 0.009 0.000 1.195 292 I CA -1.345 59.973 61.300 0.031 0.000 1.001 292 I CB 2.351 40.442 38.000 0.151 0.000 1.244 292 I HN -0.217 nan 8.210 nan 0.000 0.437 293 A N 2.724 125.568 122.820 0.040 0.000 2.306 293 A HA 0.893 5.213 4.320 0.001 0.000 0.314 293 A C 0.072 177.695 177.584 0.066 0.000 1.164 293 A CA -0.109 51.952 52.037 0.040 0.000 0.822 293 A CB 0.544 19.567 19.000 0.040 0.000 1.130 293 A HN 1.262 nan 8.150 nan 0.000 0.496 294 G N 0.893 109.733 108.800 0.066 0.000 2.452 294 G HA2 0.603 4.564 3.960 0.001 0.000 0.324 294 G HA3 0.603 4.564 3.960 0.001 0.000 0.324 294 G C -0.758 174.201 174.900 0.097 0.000 1.214 294 G CA -0.583 44.571 45.100 0.089 0.000 0.947 294 G HN 0.627 nan 8.290 nan 0.000 0.478 295 M N 1.195 120.867 119.600 0.121 0.000 2.446 295 M HA 0.555 5.036 4.480 0.001 0.000 0.294 295 M C 0.387 176.749 176.300 0.103 0.000 1.158 295 M CA -0.792 54.583 55.300 0.125 0.000 0.899 295 M CB 2.603 35.319 32.600 0.194 0.000 1.687 295 M HN 0.649 nan 8.290 nan 0.000 0.455 296 A N 2.118 124.979 122.820 0.068 0.000 1.878 296 A HA 0.369 4.690 4.320 0.001 0.000 0.188 296 A C 1.367 178.937 177.584 -0.024 0.000 2.104 296 A CA -0.136 51.928 52.037 0.044 0.000 1.140 296 A CB -0.457 18.590 19.000 0.079 0.000 1.057 296 A HN 0.818 nan 8.150 nan 0.000 0.646 297 L N 0.865 122.070 121.223 -0.030 0.000 2.010 297 L HA -0.145 4.195 4.340 0.001 0.000 0.219 297 L C -0.560 176.198 176.870 -0.187 0.000 1.077 297 L CA 2.776 57.556 54.840 -0.100 0.000 0.773 297 L CB -1.151 40.849 42.059 -0.099 0.000 0.892 297 L HN 0.305 nan 8.230 nan 0.000 0.436 298 P HA -0.101 nan 4.420 nan 0.000 0.220 298 P C 1.860 178.718 177.300 -0.738 0.000 1.148 298 P CA 1.102 63.958 63.100 -0.406 0.000 0.803 298 P CB 0.005 31.538 31.700 -0.278 0.000 0.782 299 V N 0.645 120.222 119.914 -0.563 0.000 2.358 299 V HA -0.197 3.923 4.120 0.001 0.000 0.246 299 V C 2.700 178.578 176.094 -0.360 0.000 1.047 299 V CA 1.288 63.265 62.300 -0.539 0.000 1.035 299 V CB -1.199 30.502 31.823 -0.204 0.000 0.658 299 V HN 0.058 nan 8.190 nan 0.000 0.452 300 L N -0.100 120.976 121.223 -0.246 0.000 1.989 300 L HA -0.263 4.078 4.340 0.001 0.000 0.211 300 L C 2.687 179.415 176.870 -0.236 0.000 1.071 300 L CA 2.130 56.853 54.840 -0.194 0.000 0.749 300 L CB -0.380 41.580 42.059 -0.166 0.000 0.890 300 L HN 0.329 nan 8.230 nan 0.000 0.431 301 K N -0.854 119.378 120.400 -0.281 0.000 2.103 301 K HA -0.152 4.169 4.320 0.001 0.000 0.207 301 K C 2.142 178.606 176.600 -0.228 0.000 1.048 301 K CA 1.667 57.798 56.287 -0.259 0.000 0.930 301 K CB -0.070 32.284 32.500 -0.244 0.000 0.716 301 K HN 0.262 nan 8.250 nan 0.000 0.444 302 S N 0.592 116.100 115.700 -0.319 0.000 2.345 302 S HA -0.109 4.362 4.470 0.001 0.000 0.220 302 S C 2.114 176.613 174.600 -0.168 0.000 1.031 302 S CA 1.122 59.161 58.200 -0.269 0.000 0.996 302 S CB -0.219 62.719 63.200 -0.436 0.000 0.882 302 S HN 0.438 nan 8.310 nan 0.000 0.445 303 A N 1.474 124.189 122.820 -0.174 0.000 1.948 303 A HA -0.115 4.206 4.320 0.001 0.000 0.220 303 A C 2.022 179.571 177.584 -0.059 0.000 1.177 303 A CA 1.339 53.322 52.037 -0.090 0.000 0.636 303 A CB -0.822 18.131 19.000 -0.078 0.000 0.815 303 A HN 0.515 nan 8.150 nan 0.000 0.449 304 I N -0.689 119.835 120.570 -0.076 0.000 2.361 304 I HA -0.245 3.926 4.170 0.001 0.000 0.251 304 I C 2.260 178.380 176.117 0.005 0.000 1.133 304 I CA 1.540 62.824 61.300 -0.027 0.000 1.413 304 I CB -0.346 37.630 38.000 -0.040 0.000 1.073 304 I HN 0.434 nan 8.210 nan 0.000 0.424 305 E N 0.517 120.708 120.200 -0.015 0.000 2.427 305 E HA 0.140 4.491 4.350 0.001 0.000 0.196 305 E C 0.705 177.307 176.600 0.003 0.000 1.028 305 E CA 0.404 56.805 56.400 0.001 0.000 0.864 305 E CB 0.200 29.894 29.700 -0.011 0.000 0.813 305 E HN 0.558 nan 8.360 nan 0.000 0.514 306 G N 0.706 109.504 108.800 -0.003 0.000 2.406 306 G HA2 -0.188 3.772 3.960 0.001 0.000 0.680 306 G HA3 -0.188 3.772 3.960 0.001 0.000 0.680 306 G C -0.063 174.848 174.900 0.018 0.000 1.338 306 G CA -0.243 44.864 45.100 0.011 0.000 0.941 306 G HN 0.017 nan 8.290 nan 0.000 0.633 307 K N 0.194 120.615 120.400 0.036 0.000 2.000 307 K HA -0.220 4.101 4.320 0.001 0.000 0.218 307 K C 2.599 179.247 176.600 0.080 0.000 1.053 307 K CA 2.617 58.941 56.287 0.062 0.000 0.946 307 K CB -0.142 32.398 32.500 0.068 0.000 0.723 307 K HN 0.634 nan 8.250 nan 0.000 0.446 308 E N 0.562 120.805 120.200 0.071 0.000 2.150 308 E HA -0.171 4.179 4.350 0.001 0.000 0.193 308 E C 1.937 178.581 176.600 0.075 0.000 0.985 308 E CA 1.608 58.059 56.400 0.085 0.000 0.814 308 E CB -0.733 29.007 29.700 0.067 0.000 0.752 308 E HN 0.294 nan 8.360 nan 0.000 0.466 309 S N 0.683 116.410 115.700 0.044 0.000 2.374 309 S HA -0.176 4.295 4.470 0.001 0.000 0.227 309 S C 1.966 176.579 174.600 0.021 0.000 1.037 309 S CA 1.337 59.553 58.200 0.026 0.000 1.024 309 S CB -0.338 62.862 63.200 0.000 0.000 0.861 309 S HN 0.313 nan 8.310 nan 0.000 0.456 310 L N 1.394 122.619 121.223 0.003 0.000 2.156 310 L HA 0.162 4.502 4.340 0.001 0.000 0.208 310 L C 2.213 179.104 176.870 0.035 0.000 1.095 310 L CA 1.784 56.594 54.840 -0.049 0.000 0.770 310 L CB -0.651 41.370 42.059 -0.062 0.000 0.914 310 L HN 0.347 nan 8.230 nan 0.000 0.439 311 E N -1.026 119.270 120.200 0.161 0.000 2.107 311 E HA -0.255 4.096 4.350 0.001 0.000 0.191 311 E C 2.038 178.767 176.600 0.214 0.000 0.982 311 E CA 0.943 57.529 56.400 0.310 0.000 0.809 311 E CB -0.027 29.896 29.700 0.371 0.000 0.756 311 E HN 0.444 nan 8.360 nan 0.000 0.459 312 Q N 0.493 120.377 119.800 0.140 0.000 2.124 312 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 312 Q C 1.730 177.759 176.000 0.049 0.000 0.977 312 Q CA 1.319 57.180 55.803 0.096 0.000 0.850 312 Q CB -0.389 28.393 28.738 0.073 0.000 0.901 312 Q HN 0.329 nan 8.270 nan 0.000 0.429 313 F N -0.602 119.265 119.950 -0.138 0.000 2.095 313 F HA -0.182 4.345 4.527 0.001 0.000 0.298 313 F C 1.563 177.213 175.800 -0.251 0.000 1.104 313 F CA 1.589 59.449 58.000 -0.233 0.000 1.232 313 F CB -0.352 38.419 39.000 -0.382 0.000 0.987 313 F HN 0.146 nan 8.300 nan 0.000 0.475 314 F N 0.194 119.981 119.950 -0.271 0.000 2.171 314 F HA -0.145 4.382 4.527 0.001 0.000 0.300 314 F C 2.652 178.185 175.800 -0.446 0.000 1.090 314 F CA 1.074 58.726 58.000 -0.579 0.000 1.293 314 F CB -0.424 37.920 39.000 -1.092 0.000 1.013 314 F HN -0.168 nan 8.300 nan 0.000 0.486 315 R N 0.586 121.051 120.500 -0.058 0.000 2.073 315 R HA -0.205 4.136 4.340 0.001 0.000 0.234 315 R C 2.333 178.672 176.300 0.065 0.000 1.134 315 R CA 1.662 57.825 56.100 0.107 0.000 0.952 315 R CB -0.321 30.079 30.300 0.167 0.000 0.850 315 R HN 0.159 nan 8.270 nan 0.000 0.433 316 K N 0.513 120.892 120.400 -0.034 0.000 2.032 316 K HA -0.174 4.147 4.320 0.001 0.000 0.209 316 K C 1.959 178.525 176.600 -0.056 0.000 1.048 316 K CA 1.401 57.676 56.287 -0.021 0.000 0.927 316 K CB -0.005 32.434 32.500 -0.100 0.000 0.712 316 K HN 0.087 nan 8.250 nan 0.000 0.441 317 I N 1.413 121.821 120.570 -0.270 0.000 2.202 317 I HA -0.251 3.920 4.170 0.001 0.000 0.242 317 I C 2.406 178.488 176.117 -0.058 0.000 1.091 317 I CA 1.253 62.410 61.300 -0.238 0.000 1.368 317 I CB -0.809 36.960 38.000 -0.385 0.000 1.058 317 I HN 0.234 nan 8.210 nan 0.000 0.410 318 I N 0.198 120.770 120.570 0.004 0.000 2.179 318 I HA -0.352 3.818 4.170 0.001 0.000 0.242 318 I C 2.596 178.790 176.117 0.129 0.000 1.088 318 I CA 1.434 62.776 61.300 0.071 0.000 1.357 318 I CB -0.478 37.596 38.000 0.123 0.000 1.051 318 I HN 0.074 nan 8.210 nan 0.000 0.409 319 F N 2.005 121.990 119.950 0.059 0.000 2.069 319 F HA -0.265 4.263 4.527 0.001 0.000 0.298 319 F C 2.401 178.271 175.800 0.116 0.000 1.113 319 F CA 1.951 60.029 58.000 0.130 0.000 1.214 319 F CB -0.514 38.544 39.000 0.097 0.000 0.978 319 F HN 0.049 nan 8.300 nan 0.000 0.474 320 E N 0.129 120.267 120.200 -0.104 0.000 2.065 320 E HA -0.297 4.054 4.350 0.001 0.000 0.201 320 E C 2.118 178.621 176.600 -0.162 0.000 1.016 320 E CA 1.779 58.067 56.400 -0.187 0.000 0.818 320 E CB -0.634 29.032 29.700 -0.056 0.000 0.749 320 E HN 0.439 nan 8.360 nan 0.000 0.453 321 L N 1.573 122.743 121.223 -0.090 0.000 2.013 321 L HA -0.236 4.105 4.340 0.001 0.000 0.212 321 L C 1.843 178.654 176.870 -0.098 0.000 1.073 321 L CA 1.941 56.738 54.840 -0.072 0.000 0.753 321 L CB -0.174 41.860 42.059 -0.041 0.000 0.890 321 L HN -0.063 nan 8.230 nan 0.000 0.432 322 K N -0.719 119.610 120.400 -0.119 0.000 2.148 322 K HA -0.052 4.268 4.320 0.001 0.000 0.204 322 K C 2.076 178.605 176.600 -0.118 0.000 1.050 322 K CA 1.067 57.239 56.287 -0.192 0.000 0.942 322 K CB -0.320 32.007 32.500 -0.289 0.000 0.724 322 K HN 0.509 nan 8.250 nan 0.000 0.446 323 A N 1.598 124.348 122.820 -0.116 0.000 1.873 323 A HA -0.108 4.213 4.320 0.001 0.000 0.215 323 A C 2.390 179.944 177.584 -0.050 0.000 1.186 323 A CA 1.800 53.784 52.037 -0.089 0.000 0.616 323 A CB -0.701 18.071 19.000 -0.379 0.000 0.823 323 A HN 0.312 nan 8.150 nan 0.000 0.442 324 A N -0.627 122.148 122.820 -0.075 0.000 1.933 324 A HA -0.126 4.195 4.320 0.001 0.000 0.218 324 A C 2.269 179.838 177.584 -0.025 0.000 1.175 324 A CA 1.866 53.881 52.037 -0.036 0.000 0.628 324 A CB -0.541 18.437 19.000 -0.037 0.000 0.814 324 A HN 0.544 nan 8.150 nan 0.000 0.444 325 M N -2.044 117.525 119.600 -0.051 0.000 2.067 325 M HA -0.161 4.320 4.480 0.001 0.000 0.260 325 M C 2.415 178.687 176.300 -0.046 0.000 1.069 325 M CA 2.226 57.492 55.300 -0.057 0.000 1.117 325 M CB -0.422 32.122 32.600 -0.093 0.000 1.334 325 M HN 0.525 nan 8.290 nan 0.000 0.407 326 M N 1.047 120.622 119.600 -0.041 0.000 2.113 326 M HA -0.222 4.259 4.480 0.001 0.000 0.255 326 M C 1.684 177.993 176.300 0.016 0.000 1.073 326 M CA 1.986 57.294 55.300 0.013 0.000 1.091 326 M CB -0.608 32.094 32.600 0.169 0.000 1.309 326 M HN 0.230 nan 8.290 nan 0.000 0.407 327 L N -0.601 120.648 121.223 0.043 0.000 2.610 327 L HA -0.005 4.335 4.340 0.001 0.000 0.232 327 L C 1.264 178.158 176.870 0.041 0.000 1.149 327 L CA 1.102 55.993 54.840 0.084 0.000 0.872 327 L CB -1.068 41.089 42.059 0.164 0.000 0.992 327 L HN 0.559 nan 8.230 nan 0.000 0.447 328 T N -4.746 109.811 114.554 0.005 0.000 3.085 328 T HA 0.267 4.618 4.350 0.001 0.000 0.264 328 T C 1.243 175.926 174.700 -0.028 0.000 1.019 328 T CA 0.247 62.340 62.100 -0.012 0.000 0.910 328 T CB 0.699 69.567 68.868 0.000 0.000 1.059 328 T HN 0.295 nan 8.240 nan 0.000 0.542 329 G N 1.430 110.207 108.800 -0.039 0.000 2.314 329 G HA2 -0.219 3.742 3.960 0.001 0.000 0.292 329 G HA3 -0.219 3.742 3.960 0.001 0.000 0.292 329 G C -0.078 174.804 174.900 -0.030 0.000 1.059 329 G CA 0.065 45.142 45.100 -0.039 0.000 0.982 329 G HN 0.630 nan 8.290 nan 0.000 0.505 330 S N -0.153 115.525 115.700 -0.037 0.000 2.461 330 S HA 0.386 4.857 4.470 0.001 0.000 0.322 330 S C 1.450 176.020 174.600 -0.051 0.000 1.063 330 S CA -0.177 58.002 58.200 -0.035 0.000 1.120 330 S CB 1.337 64.518 63.200 -0.032 0.000 0.968 330 S HN 0.725 nan 8.310 nan 0.000 0.467 331 K N 1.663 122.037 120.400 -0.042 0.000 2.155 331 K HA -0.033 4.287 4.320 0.001 0.000 0.203 331 K C -0.055 176.512 176.600 -0.056 0.000 1.052 331 K CA 1.109 57.365 56.287 -0.051 0.000 0.948 331 K CB -0.205 32.275 32.500 -0.035 0.000 0.728 331 K HN 0.598 nan 8.250 nan 0.000 0.448 332 D N -1.533 118.842 120.400 -0.041 0.000 2.626 332 D HA 0.097 4.738 4.640 0.001 0.000 0.278 332 D C 0.733 177.017 176.300 -0.026 0.000 1.211 332 D CA -0.844 53.135 54.000 -0.035 0.000 0.903 332 D CB 1.066 41.851 40.800 -0.024 0.000 1.408 332 D HN -0.249 nan 8.370 nan 0.000 0.454 333 V N 0.335 120.239 119.914 -0.017 0.000 2.380 333 V HA -0.239 3.882 4.120 0.001 0.000 0.251 333 V C 1.448 177.541 176.094 -0.002 0.000 1.063 333 V CA 2.300 64.597 62.300 -0.006 0.000 1.055 333 V CB -0.620 31.208 31.823 0.008 0.000 0.657 333 V HN 0.591 nan 8.190 nan 0.000 0.455 334 D N 0.207 120.606 120.400 -0.002 0.000 2.117 334 D HA -0.133 4.507 4.640 0.001 0.000 0.197 334 D C 2.232 178.528 176.300 -0.006 0.000 0.987 334 D CA 1.683 55.682 54.000 -0.002 0.000 0.829 334 D CB -0.245 40.554 40.800 -0.002 0.000 0.961 334 D HN 0.467 nan 8.370 nan 0.000 0.460 335 A N 0.641 123.455 122.820 -0.010 0.000 1.930 335 A HA -0.126 4.194 4.320 0.001 0.000 0.217 335 A C 2.155 179.733 177.584 -0.011 0.000 1.175 335 A CA 0.852 52.882 52.037 -0.011 0.000 0.627 335 A CB -0.596 18.395 19.000 -0.014 0.000 0.815 335 A HN 0.239 nan 8.150 nan 0.000 0.443 336 L N -0.005 121.210 121.223 -0.012 0.000 2.017 336 L HA -0.120 4.221 4.340 0.001 0.000 0.208 336 L C 2.128 178.995 176.870 -0.004 0.000 1.073 336 L CA 2.221 57.055 54.840 -0.010 0.000 0.745 336 L CB -0.548 41.503 42.059 -0.013 0.000 0.894 336 L HN 0.318 nan 8.230 nan 0.000 0.432 337 K N -0.079 120.319 120.400 -0.004 0.000 2.286 337 K HA -0.184 4.137 4.320 0.001 0.000 0.203 337 K C 1.065 177.657 176.600 -0.012 0.000 1.045 337 K CA 1.718 58.002 56.287 -0.005 0.000 0.935 337 K CB -0.091 32.406 32.500 -0.004 0.000 0.737 337 K HN 0.537 nan 8.250 nan 0.000 0.460 338 K N -0.568 119.825 120.400 -0.011 0.000 2.478 338 K HA 0.139 4.459 4.320 0.001 0.000 0.205 338 K C 0.256 176.853 176.600 -0.005 0.000 1.033 338 K CA -0.242 56.038 56.287 -0.013 0.000 1.091 338 K CB 0.855 33.345 32.500 -0.016 0.000 0.844 338 K HN -0.235 nan 8.250 nan 0.000 0.507 339 T N 1.073 115.627 114.554 -0.000 0.000 2.766 339 T HA 0.090 4.441 4.350 0.001 0.000 0.295 339 T C -0.116 174.591 174.700 0.012 0.000 1.024 339 T CA -0.084 62.018 62.100 0.004 0.000 1.018 339 T CB 0.695 69.564 68.868 0.003 0.000 1.002 339 T HN 0.257 nan 8.240 nan 0.000 0.532 340 S N 2.124 117.832 115.700 0.014 0.000 2.523 340 S HA 0.493 4.964 4.470 0.001 0.000 0.275 340 S C 0.122 174.738 174.600 0.028 0.000 1.281 340 S CA -0.669 57.544 58.200 0.021 0.000 1.050 340 S CB -0.217 62.994 63.200 0.018 0.000 0.937 340 S HN 0.608 nan 8.310 nan 0.000 0.492 341 I N -0.481 120.110 120.570 0.036 0.000 3.002 341 I HA 0.833 5.004 4.170 0.001 0.000 0.310 341 I C -1.191 174.948 176.117 0.037 0.000 1.087 341 I CA -1.237 60.086 61.300 0.039 0.000 1.017 341 I CB 1.900 39.930 38.000 0.050 0.000 1.226 341 I HN 0.243 nan 8.210 nan 0.000 0.443 342 V N 4.280 124.211 119.914 0.029 0.000 2.540 342 V HA 0.500 4.621 4.120 0.001 0.000 0.302 342 V C -0.196 175.906 176.094 0.013 0.000 1.035 342 V CA -0.419 61.894 62.300 0.021 0.000 0.873 342 V CB 1.852 33.684 31.823 0.014 0.000 0.992 342 V HN 0.512 nan 8.190 nan 0.000 0.428 343 I N 5.882 126.457 120.570 0.008 0.000 2.355 343 I HA 0.461 4.631 4.170 0.001 0.000 0.288 343 I C -0.376 175.727 176.117 -0.022 0.000 0.999 343 I CA -0.165 61.129 61.300 -0.009 0.000 1.163 343 I CB 1.311 39.303 38.000 -0.013 0.000 1.316 343 I HN 0.363 nan 8.210 nan 0.000 0.454 344 L N 4.202 125.401 121.223 -0.040 0.000 2.341 344 L HA 0.701 5.042 4.340 0.001 0.000 0.267 344 L C 1.391 178.213 176.870 -0.081 0.000 1.022 344 L CA -0.389 54.421 54.840 -0.051 0.000 0.844 344 L CB 1.314 43.341 42.059 -0.053 0.000 1.436 344 L HN 0.795 nan 8.230 nan 0.000 0.483 345 G N 0.437 109.187 108.800 -0.084 0.000 2.684 345 G HA2 -0.387 3.574 3.960 0.001 0.000 0.332 345 G HA3 -0.387 3.574 3.960 0.001 0.000 0.332 345 G C 0.791 175.606 174.900 -0.141 0.000 1.306 345 G CA 0.974 46.002 45.100 -0.118 0.000 1.002 345 G HN 0.712 nan 8.290 nan 0.000 0.545 346 K N -0.351 119.890 120.400 -0.265 0.000 2.155 346 K HA 0.142 4.462 4.320 0.001 0.000 0.203 346 K C 2.605 179.093 176.600 -0.186 0.000 1.052 346 K CA 1.102 57.211 56.287 -0.296 0.000 0.948 346 K CB -0.194 31.942 32.500 -0.607 0.000 0.728 346 K HN 0.268 nan 8.250 nan 0.000 0.448 347 L N 2.214 123.269 121.223 -0.281 0.000 2.046 347 L HA -0.169 4.171 4.340 0.001 0.000 0.208 347 L C 2.186 179.103 176.870 0.079 0.000 1.077 347 L CA 1.824 56.675 54.840 0.018 0.000 0.747 347 L CB -0.358 41.690 42.059 -0.018 0.000 0.896 347 L HN 0.016 nan 8.230 nan 0.000 0.432 348 K N -0.479 119.923 120.400 0.003 0.000 2.026 348 K HA -0.206 4.115 4.320 0.001 0.000 0.208 348 K C 1.967 178.601 176.600 0.057 0.000 1.048 348 K CA 1.882 58.176 56.287 0.011 0.000 0.929 348 K CB -0.149 32.342 32.500 -0.016 0.000 0.713 348 K HN 0.490 nan 8.250 nan 0.000 0.439 349 E N -0.203 120.035 120.200 0.063 0.000 2.077 349 E HA -0.228 4.123 4.350 0.001 0.000 0.193 349 E C 1.755 178.442 176.600 0.144 0.000 0.989 349 E CA 1.011 57.456 56.400 0.076 0.000 0.800 349 E CB -0.248 29.476 29.700 0.041 0.000 0.746 349 E HN 0.506 nan 8.360 nan 0.000 0.452 350 W N 1.677 122.993 121.300 0.027 0.000 2.332 350 W HA -0.231 4.430 4.660 0.001 0.000 0.321 350 W C 2.321 178.848 176.519 0.014 0.000 1.219 350 W CA 2.127 59.505 57.345 0.056 0.000 1.277 350 W CB -0.592 28.945 29.460 0.129 0.000 1.161 350 W HN 0.043 nan 8.180 nan 0.000 0.476 351 A N 0.544 123.576 122.820 0.354 0.000 1.883 351 A HA -0.268 4.053 4.320 0.001 0.000 0.217 351 A C 1.906 179.485 177.584 -0.007 0.000 1.186 351 A CA 2.168 54.281 52.037 0.127 0.000 0.624 351 A CB -1.065 17.908 19.000 -0.045 0.000 0.822 351 A HN 0.509 nan 8.150 nan 0.000 0.444 352 E N -1.780 118.426 120.200 0.009 0.000 2.038 352 E HA -0.227 4.123 4.350 0.001 0.000 0.195 352 E C 1.916 178.491 176.600 -0.041 0.000 1.000 352 E CA 1.559 57.946 56.400 -0.022 0.000 0.803 352 E CB -0.339 29.364 29.700 0.006 0.000 0.750 352 E HN 0.752 nan 8.360 nan 0.000 0.448 353 Y N 1.073 121.303 120.300 -0.117 0.000 2.207 353 Y HA -0.178 4.373 4.550 0.001 0.000 0.287 353 Y C 1.776 177.563 175.900 -0.187 0.000 1.156 353 Y CA 1.366 59.369 58.100 -0.161 0.000 1.182 353 Y CB 0.316 38.644 38.460 -0.220 0.000 0.979 353 Y HN -0.154 nan 8.280 nan 0.000 0.521 354 R N 0.173 120.619 120.500 -0.090 0.000 2.325 354 R HA 0.126 4.467 4.340 0.001 0.000 0.214 354 R C 1.304 177.527 176.300 -0.129 0.000 0.961 354 R CA 0.688 56.717 56.100 -0.118 0.000 1.086 354 R CB -0.802 29.440 30.300 -0.097 0.000 1.037 354 R HN 0.545 nan 8.270 nan 0.000 0.493 355 G N 1.662 110.367 108.800 -0.158 0.000 2.179 355 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 355 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 355 G C 0.276 175.070 174.900 -0.177 0.000 1.010 355 G CA -0.015 45.006 45.100 -0.131 0.000 0.736 355 G HN 0.364 nan 8.290 nan 0.000 0.513 356 I N 1.401 121.781 120.570 -0.317 0.000 2.389 356 I HA 0.038 4.208 4.170 0.001 0.000 0.295 356 I C 0.969 176.882 176.117 -0.339 0.000 1.117 356 I CA -0.249 60.648 61.300 -0.671 0.000 1.317 356 I CB 0.347 37.933 38.000 -0.690 0.000 1.431 356 I HN 0.215 nan 8.210 nan 0.000 0.521 357 N N 6.941 125.541 118.700 -0.167 0.000 2.427 357 N HA 0.044 4.785 4.740 0.001 0.000 0.269 357 N C 1.035 176.593 175.510 0.080 0.000 1.235 357 N CA -0.190 52.876 53.050 0.027 0.000 0.934 357 N CB 0.924 39.492 38.487 0.136 0.000 1.121 357 N HN 0.618 nan 8.380 nan 0.000 0.480 358 L N 2.566 123.816 121.223 0.044 0.000 2.083 358 L HA -0.192 4.148 4.340 0.001 0.000 0.209 358 L C 2.440 179.396 176.870 0.144 0.000 1.083 358 L CA 0.817 55.712 54.840 0.091 0.000 0.752 358 L CB -0.443 41.641 42.059 0.043 0.000 0.899 358 L HN 0.539 nan 8.230 nan 0.000 0.433 359 S N 0.551 116.314 115.700 0.105 0.000 2.354 359 S HA -0.216 4.255 4.470 0.001 0.000 0.219 359 S C 1.925 176.597 174.600 0.121 0.000 1.035 359 S CA 1.941 60.198 58.200 0.095 0.000 1.037 359 S CB -0.345 62.895 63.200 0.067 0.000 0.956 359 S HN 0.519 nan 8.310 nan 0.000 0.428 360 I N -0.195 120.467 120.570 0.152 0.000 2.567 360 I HA -0.112 4.058 4.170 0.001 0.000 0.257 360 I C 1.911 178.164 176.117 0.227 0.000 1.184 360 I CA 1.347 62.745 61.300 0.163 0.000 1.451 360 I CB -0.373 37.721 38.000 0.157 0.000 1.089 360 I HN 0.356 nan 8.210 nan 0.000 0.441 361 Y N 1.809 122.220 120.300 0.185 0.000 2.163 361 Y HA -0.173 4.378 4.550 0.001 0.000 0.288 361 Y C 2.494 178.454 175.900 0.100 0.000 1.136 361 Y CA 1.812 60.023 58.100 0.185 0.000 1.147 361 Y CB -0.064 38.461 38.460 0.107 0.000 0.987 361 Y HN 0.166 nan 8.280 nan 0.000 0.509 362 E N 0.564 120.807 120.200 0.071 0.000 2.130 362 E HA -0.225 4.125 4.350 0.001 0.000 0.196 362 E C 1.944 178.492 176.600 -0.087 0.000 0.998 362 E CA 1.401 57.789 56.400 -0.021 0.000 0.806 362 E CB -0.114 29.619 29.700 0.054 0.000 0.738 362 E HN 0.532 nan 8.360 nan 0.000 0.459 363 K N 0.382 120.751 120.400 -0.052 0.000 2.031 363 K HA -0.039 4.281 4.320 0.001 0.000 0.205 363 K C 2.388 178.927 176.600 -0.102 0.000 1.049 363 K CA 0.615 56.870 56.287 -0.054 0.000 0.939 363 K CB -0.779 31.710 32.500 -0.018 0.000 0.717 363 K HN 0.041 nan 8.250 nan 0.000 0.438 364 V N 2.806 122.636 119.914 -0.141 0.000 2.332 364 V HA -0.256 3.865 4.120 0.001 0.000 0.248 364 V C 2.583 178.546 176.094 -0.218 0.000 1.055 364 V CA 2.215 64.414 62.300 -0.169 0.000 1.038 364 V CB -0.683 31.049 31.823 -0.151 0.000 0.651 364 V HN 0.416 nan 8.190 nan 0.000 0.450 365 R N -0.073 120.210 120.500 -0.362 0.000 2.153 365 R HA 0.050 4.391 4.340 0.001 0.000 0.218 365 R C 0.756 176.969 176.300 -0.145 0.000 1.072 365 R CA 0.378 56.308 56.100 -0.283 0.000 0.990 365 R CB -0.098 29.967 30.300 -0.393 0.000 0.889 365 R HN 0.353 nan 8.270 nan 0.000 0.452 366 K N 0.000 120.323 120.400 -0.128 0.000 2.780 366 K HA 0.000 4.321 4.320 0.001 0.000 0.191 366 K CA 0.000 56.244 56.287 -0.071 0.000 0.838 366 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 366 K HN 0.000 nan 8.250 nan 0.000 0.543