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 1rcx_1_O DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.596 177.584 0.020 0.000 1.274 9 A CA 0.000 52.045 52.037 0.013 0.000 0.836 9 A CB 0.000 19.007 19.000 0.012 0.000 0.831 10 S N -0.286 115.430 115.700 0.026 0.000 2.586 10 S HA 0.710 5.180 4.470 0.000 0.000 0.274 10 S C -0.043 174.580 174.600 0.039 0.000 1.281 10 S CA -0.027 58.196 58.200 0.038 0.000 1.035 10 S CB 1.364 64.591 63.200 0.045 0.000 0.962 10 S HN 2.257 nan 8.310 nan 0.000 0.512 11 V N 1.750 121.694 119.914 0.050 0.000 2.864 11 V HA 0.833 4.953 4.120 0.000 0.000 0.314 11 V C 0.720 176.858 176.094 0.073 0.000 1.073 11 V CA -0.154 62.175 62.300 0.048 0.000 0.956 11 V CB 1.341 33.187 31.823 0.038 0.000 1.023 11 V HN 1.270 nan 8.190 nan 0.000 0.435 12 G N 2.966 111.804 108.800 0.065 0.000 2.794 12 G HA2 0.194 4.154 3.960 0.000 0.000 0.249 12 G HA3 0.194 4.154 3.960 0.000 0.000 0.249 12 G C -0.662 174.333 174.900 0.159 0.000 1.236 12 G CA -0.036 45.119 45.100 0.093 0.000 0.880 12 G HN 0.961 nan 8.290 nan 0.000 0.586 13 F N 0.177 120.146 119.950 0.033 0.000 2.411 13 F HA 0.614 5.141 4.527 0.000 0.000 0.350 13 F C 0.068 175.885 175.800 0.028 0.000 1.114 13 F CA -1.648 56.383 58.000 0.053 0.000 1.135 13 F CB 1.734 40.790 39.000 0.094 0.000 1.120 13 F HN 0.235 nan 8.300 nan 0.000 0.495 14 K N 5.754 125.896 120.400 -0.431 0.000 2.521 14 K HA 0.667 4.987 4.320 0.000 0.000 0.248 14 K C -0.807 175.363 176.600 -0.717 0.000 0.978 14 K CA -0.428 55.554 56.287 -0.507 0.000 0.947 14 K CB 0.824 33.202 32.500 -0.202 0.000 1.165 14 K HN 0.750 nan 8.250 nan 0.000 0.445 15 A N 2.631 124.833 122.820 -1.029 0.000 2.466 15 A HA 0.605 4.925 4.320 0.000 0.000 0.238 15 A C 0.569 177.993 177.584 -0.266 0.000 1.074 15 A CA 0.891 52.553 52.037 -0.625 0.000 0.774 15 A CB -0.346 18.410 19.000 -0.408 0.000 1.015 15 A HN 1.152 nan 8.150 nan 0.000 0.498 16 G N -1.470 107.236 108.800 -0.155 0.000 2.392 16 G HA2 0.431 4.391 3.960 0.000 0.000 0.677 16 G HA3 0.431 4.391 3.960 0.000 0.000 0.677 16 G C -0.464 174.359 174.900 -0.129 0.000 1.334 16 G CA -0.089 44.941 45.100 -0.116 0.000 0.961 16 G HN 2.288 nan 8.290 nan 0.000 0.616 17 V N -0.428 119.430 119.914 -0.094 0.000 2.716 17 V HA 0.988 5.108 4.120 0.000 0.000 0.304 17 V C 0.135 176.178 176.094 -0.084 0.000 1.053 17 V CA 0.462 62.699 62.300 -0.104 0.000 0.984 17 V CB 1.421 33.236 31.823 -0.013 0.000 1.021 17 V HN 1.494 nan 8.190 nan 0.000 0.467 18 K N 2.085 122.416 120.400 -0.115 0.000 2.522 18 K HA 0.520 4.840 4.320 0.000 0.000 0.275 18 K C -1.440 175.082 176.600 -0.129 0.000 1.006 18 K CA -0.924 55.310 56.287 -0.088 0.000 0.890 18 K CB 1.485 33.953 32.500 -0.054 0.000 1.475 18 K HN 0.524 nan 8.250 nan 0.000 0.441 19 D N 0.967 121.324 120.400 -0.072 0.000 2.443 19 D HA 0.014 4.654 4.640 0.000 0.000 0.239 19 D C 0.589 176.893 176.300 0.008 0.000 1.136 19 D CA 0.276 54.244 54.000 -0.052 0.000 0.879 19 D CB 0.215 41.019 40.800 0.005 0.000 1.195 19 D HN 0.425 nan 8.370 nan 0.000 0.443 20 Y N 1.159 121.494 120.300 0.059 0.000 2.352 20 Y HA -0.167 4.383 4.550 0.000 0.000 0.292 20 Y C 2.260 178.283 175.900 0.205 0.000 1.136 20 Y CA 1.009 59.191 58.100 0.137 0.000 1.227 20 Y CB -0.236 38.239 38.460 0.025 0.000 0.991 20 Y HN 0.458 nan 8.280 nan 0.000 0.545 21 K N 0.241 120.799 120.400 0.263 0.000 2.280 21 K HA -0.138 4.182 4.320 0.000 0.000 0.202 21 K C 1.624 178.341 176.600 0.195 0.000 1.047 21 K CA 1.445 57.867 56.287 0.224 0.000 0.942 21 K CB -0.673 31.904 32.500 0.128 0.000 0.739 21 K HN 0.334 nan 8.250 nan 0.000 0.457 22 L N 1.142 122.452 121.223 0.145 0.000 2.131 22 L HA -0.123 4.218 4.340 0.000 0.000 0.210 22 L C 1.596 178.495 176.870 0.050 0.000 1.092 22 L CA 1.463 56.354 54.840 0.085 0.000 0.759 22 L CB -0.364 41.729 42.059 0.056 0.000 0.903 22 L HN 0.378 nan 8.230 nan 0.000 0.435 23 T N -3.288 111.303 114.554 0.061 0.000 2.987 23 T HA 0.054 4.404 4.350 0.000 0.000 0.248 23 T C 1.001 175.486 174.700 -0.358 0.000 0.997 23 T CA 0.105 62.092 62.100 -0.188 0.000 1.013 23 T CB 0.174 68.842 68.868 -0.333 0.000 1.077 23 T HN 0.125 nan 8.240 nan 0.000 0.483 24 Y N -0.146 120.214 120.300 0.099 0.000 2.458 24 Y HA 0.410 4.960 4.550 0.000 0.000 0.256 24 Y C 0.091 176.064 175.900 0.121 0.000 1.159 24 Y CA -1.107 57.040 58.100 0.078 0.000 1.261 24 Y CB 0.332 38.833 38.460 0.068 0.000 1.119 24 Y HN 0.164 nan 8.280 nan 0.000 0.524 25 Y N 0.891 121.252 120.300 0.102 0.000 2.353 25 Y HA 0.479 5.029 4.550 0.000 0.000 0.340 25 Y C -0.251 175.680 175.900 0.051 0.000 0.972 25 Y CA -1.187 56.951 58.100 0.063 0.000 1.157 25 Y CB 1.145 39.630 38.460 0.040 0.000 1.157 25 Y HN -0.173 nan 8.280 nan 0.000 0.495 26 T N 9.591 123.980 114.554 -0.275 0.000 3.542 26 T HA 0.172 4.522 4.350 0.000 0.000 0.276 26 T C -1.980 172.616 174.700 -0.174 0.000 1.412 26 T CA -0.842 61.136 62.100 -0.204 0.000 1.664 26 T CB 0.625 69.441 68.868 -0.087 0.000 0.863 26 T HN 0.511 nan 8.240 nan 0.000 0.661 27 P HA -0.033 nan 4.420 nan 0.000 0.223 27 P C 0.832 178.135 177.300 0.005 0.000 1.144 27 P CA 1.017 63.981 63.100 -0.227 0.000 0.783 27 P CB 0.581 32.042 31.700 -0.399 0.000 0.771 28 E N -1.886 118.312 120.200 -0.004 0.000 2.474 28 E HA 0.047 4.397 4.350 0.000 0.000 0.195 28 E C 0.154 176.797 176.600 0.072 0.000 1.039 28 E CA -0.481 55.937 56.400 0.031 0.000 0.881 28 E CB -0.759 28.943 29.700 0.003 0.000 0.970 28 E HN 0.232 nan 8.360 nan 0.000 0.486 29 Y N 1.845 122.137 120.300 -0.013 0.000 2.526 29 Y HA 0.057 4.607 4.550 0.000 0.000 0.330 29 Y C 0.035 175.892 175.900 -0.073 0.000 1.156 29 Y CA 0.065 58.145 58.100 -0.034 0.000 1.419 29 Y CB 0.402 38.854 38.460 -0.013 0.000 1.250 29 Y HN -0.135 nan 8.280 nan 0.000 0.540 30 E N 4.120 123.873 120.200 -0.745 0.000 2.134 30 E HA 0.165 4.515 4.350 0.000 0.000 0.278 30 E C -0.348 175.537 176.600 -1.192 0.000 0.959 30 E CA -0.668 55.327 56.400 -0.675 0.000 0.783 30 E CB 0.851 30.308 29.700 -0.405 0.000 1.095 30 E HN 0.737 nan 8.360 nan 0.000 0.399 31 T N 1.008 115.074 114.554 -0.812 0.000 2.930 31 T HA 0.219 4.569 4.350 0.000 0.000 0.306 31 T C 0.462 174.956 174.700 -0.343 0.000 1.045 31 T CA -0.498 61.265 62.100 -0.562 0.000 1.134 31 T CB 0.397 69.037 68.868 -0.380 0.000 0.961 31 T HN 0.255 nan 8.240 nan 0.000 0.545 32 L N 2.286 123.412 121.223 -0.162 0.000 2.418 32 L HA 0.286 4.626 4.340 0.000 0.000 0.265 32 L C 1.340 178.175 176.870 -0.058 0.000 1.143 32 L CA -0.744 54.043 54.840 -0.089 0.000 0.809 32 L CB 0.506 42.562 42.059 -0.005 0.000 1.124 32 L HN 0.743 nan 8.230 nan 0.000 0.456 33 D N 0.164 120.534 120.400 -0.049 0.000 2.378 33 D HA -0.074 4.566 4.640 0.000 0.000 0.227 33 D C 1.478 177.769 176.300 -0.016 0.000 1.012 33 D CA 1.081 55.060 54.000 -0.035 0.000 0.905 33 D CB 0.305 41.088 40.800 -0.028 0.000 0.895 33 D HN 0.730 nan 8.370 nan 0.000 0.532 34 T N -2.798 111.757 114.554 0.001 0.000 3.069 34 T HA 0.047 4.397 4.350 0.000 0.000 0.252 34 T C 0.555 175.274 174.700 0.032 0.000 1.053 34 T CA -0.513 61.602 62.100 0.024 0.000 0.964 34 T CB 0.644 69.537 68.868 0.042 0.000 1.005 34 T HN -0.235 nan 8.240 nan 0.000 0.532 35 D N 1.518 121.936 120.400 0.031 0.000 2.362 35 D HA 0.328 4.968 4.640 0.000 0.000 0.242 35 D C -0.016 176.284 176.300 0.000 0.000 1.132 35 D CA -0.371 53.668 54.000 0.065 0.000 0.907 35 D CB 0.925 41.776 40.800 0.085 0.000 1.195 35 D HN 0.323 nan 8.370 nan 0.000 0.429 36 I N 2.258 122.851 120.570 0.038 0.000 2.315 36 I HA 0.187 4.357 4.170 0.000 0.000 0.291 36 I C -0.108 176.055 176.117 0.078 0.000 1.006 36 I CA -0.558 60.686 61.300 -0.094 0.000 1.265 36 I CB 0.695 38.480 38.000 -0.359 0.000 1.387 36 I HN 0.032 nan 8.210 nan 0.000 0.475 37 L N 6.202 127.346 121.223 -0.131 0.000 2.322 37 L HA 0.766 5.106 4.340 0.000 0.000 0.279 37 L C 0.041 176.802 176.870 -0.181 0.000 1.036 37 L CA -0.584 54.182 54.840 -0.125 0.000 0.807 37 L CB 1.691 43.484 42.059 -0.443 0.000 1.226 37 L HN 0.617 nan 8.230 nan 0.000 0.433 38 A N 2.175 125.104 122.820 0.181 0.000 2.371 38 A HA 0.855 5.175 4.320 0.000 0.000 0.311 38 A C -0.608 177.093 177.584 0.194 0.000 1.068 38 A CA -0.545 51.559 52.037 0.111 0.000 0.744 38 A CB 1.684 20.721 19.000 0.062 0.000 1.239 38 A HN 0.749 nan 8.150 nan 0.000 0.435 39 A N 2.023 124.849 122.820 0.010 0.000 2.277 39 A HA 0.700 5.021 4.320 0.000 0.000 0.318 39 A C -1.137 176.170 177.584 -0.462 0.000 1.339 39 A CA -0.258 51.559 52.037 -0.366 0.000 0.875 39 A CB -0.300 18.325 19.000 -0.625 0.000 1.158 39 A HN 0.603 nan 8.150 nan 0.000 0.514 40 F N 1.368 121.155 119.950 -0.273 0.000 2.420 40 F HA 0.462 4.989 4.527 0.000 0.000 0.342 40 F C 0.985 176.662 175.800 -0.206 0.000 1.113 40 F CA -0.339 57.537 58.000 -0.208 0.000 1.059 40 F CB 1.636 40.535 39.000 -0.168 0.000 1.128 40 F HN 0.599 nan 8.300 nan 0.000 0.475 41 R N 3.914 124.437 120.500 0.038 0.000 2.235 41 R HA 0.502 4.842 4.340 0.000 0.000 0.338 41 R C -1.640 174.674 176.300 0.023 0.000 1.087 41 R CA -0.237 55.876 56.100 0.021 0.000 0.948 41 R CB 0.299 30.613 30.300 0.023 0.000 1.099 41 R HN 0.527 nan 8.270 nan 0.000 0.483 42 V N 3.572 123.504 119.914 0.030 0.000 2.407 42 V HA 0.236 4.356 4.120 0.000 0.000 0.278 42 V C -0.089 176.041 176.094 0.060 0.000 1.037 42 V CA -0.445 61.858 62.300 0.005 0.000 0.900 42 V CB 1.738 33.547 31.823 -0.024 0.000 0.983 42 V HN 0.717 nan 8.190 nan 0.000 0.459 43 S N 6.901 122.620 115.700 0.031 0.000 2.516 43 S HA 0.425 4.895 4.470 0.000 0.000 0.268 43 S C -2.585 172.036 174.600 0.036 0.000 1.251 43 S CA -1.017 57.209 58.200 0.044 0.000 1.153 43 S CB 1.061 64.285 63.200 0.040 0.000 1.009 43 S HN 0.580 nan 8.310 nan 0.000 0.479 44 P HA 0.156 nan 4.420 nan 0.000 0.274 44 P C -0.171 177.135 177.300 0.010 0.000 1.231 44 P CA -0.522 62.584 63.100 0.009 0.000 0.790 44 P CB 0.492 32.196 31.700 0.006 0.000 0.951 45 Q N 2.033 121.827 119.800 -0.011 0.000 2.417 45 Q HA 0.200 4.540 4.340 0.000 0.000 0.241 45 Q C -2.044 173.954 176.000 -0.004 0.000 1.008 45 Q CA -1.485 54.316 55.803 -0.004 0.000 0.901 45 Q CB -0.677 28.054 28.738 -0.012 0.000 1.259 45 Q HN 0.321 nan 8.270 nan 0.000 0.489 46 P HA -0.024 nan 4.420 nan 0.000 0.264 46 P C 0.453 177.749 177.300 -0.007 0.000 1.193 46 P CA 1.231 64.332 63.100 0.002 0.000 0.763 46 P CB 0.333 32.034 31.700 0.002 0.000 0.810 47 G N 1.425 110.220 108.800 -0.008 0.000 2.217 47 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 47 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 47 G C -0.033 174.847 174.900 -0.032 0.000 0.990 47 G CA -0.166 44.924 45.100 -0.017 0.000 0.627 47 G HN 0.512 nan 8.290 nan 0.000 0.522 48 V N 3.896 123.786 119.914 -0.039 0.000 2.333 48 V HA 0.469 4.589 4.120 0.000 0.000 0.274 48 V C -1.264 174.779 176.094 -0.086 0.000 1.028 48 V CA -1.416 60.843 62.300 -0.068 0.000 0.851 48 V CB 1.346 33.119 31.823 -0.083 0.000 1.000 48 V HN 0.278 nan 8.190 nan 0.000 0.456 49 P HA 0.218 nan 4.420 nan 0.000 0.271 49 P C -2.310 174.825 177.300 -0.274 0.000 1.218 49 P CA -1.552 61.450 63.100 -0.164 0.000 0.780 49 P CB 0.821 32.433 31.700 -0.145 0.000 0.901 50 P HA -0.214 nan 4.420 nan 0.000 0.216 50 P C 1.300 178.279 177.300 -0.534 0.000 1.157 50 P CA 1.706 64.392 63.100 -0.688 0.000 0.880 50 P CB 0.010 31.001 31.700 -1.182 0.000 0.791 51 E N -0.579 119.290 120.200 -0.551 0.000 2.085 51 E HA -0.217 4.133 4.350 0.000 0.000 0.194 51 E C 2.043 178.402 176.600 -0.401 0.000 0.994 51 E CA 1.319 57.298 56.400 -0.703 0.000 0.801 51 E CB -0.733 28.528 29.700 -0.733 0.000 0.743 51 E HN 0.302 nan 8.360 nan 0.000 0.453 52 E N 0.180 120.225 120.200 -0.257 0.000 2.152 52 E HA -0.021 4.329 4.350 0.000 0.000 0.192 52 E C 1.776 178.271 176.600 -0.174 0.000 0.983 52 E CA 1.070 57.389 56.400 -0.135 0.000 0.818 52 E CB -0.210 29.436 29.700 -0.089 0.000 0.758 52 E HN 0.227 nan 8.360 nan 0.000 0.467 53 A N 0.246 122.925 122.820 -0.235 0.000 1.855 53 A HA -0.019 4.301 4.320 0.000 0.000 0.215 53 A C 2.483 179.906 177.584 -0.269 0.000 1.191 53 A CA 1.704 53.586 52.037 -0.257 0.000 0.613 53 A CB -1.414 17.452 19.000 -0.225 0.000 0.829 53 A HN 0.406 nan 8.150 nan 0.000 0.442 54 G N -0.575 108.074 108.800 -0.252 0.000 2.442 54 G HA2 -0.009 3.952 3.960 0.000 0.000 0.219 54 G HA3 -0.009 3.952 3.960 0.000 0.000 0.219 54 G C 1.709 176.521 174.900 -0.147 0.000 1.141 54 G CA 1.540 46.522 45.100 -0.198 0.000 0.763 54 G HN 0.820 nan 8.290 nan 0.000 0.554 55 A N 1.047 123.802 122.820 -0.107 0.000 1.930 55 A HA 0.346 4.666 4.320 0.000 0.000 0.217 55 A C 2.796 180.236 177.584 -0.240 0.000 1.175 55 A CA 2.048 54.081 52.037 -0.005 0.000 0.627 55 A CB -0.678 18.406 19.000 0.140 0.000 0.815 55 A HN 0.742 nan 8.150 nan 0.000 0.443 56 A N -0.565 122.014 122.820 -0.402 0.000 1.933 56 A HA 0.018 4.338 4.320 0.000 0.000 0.218 56 A C 2.217 179.487 177.584 -0.523 0.000 1.175 56 A CA 1.725 53.223 52.037 -0.898 0.000 0.628 56 A CB -0.829 17.669 19.000 -0.837 0.000 0.814 56 A HN 0.349 nan 8.150 nan 0.000 0.444 57 V N -0.242 119.467 119.914 -0.343 0.000 2.307 57 V HA -0.227 3.893 4.120 0.000 0.000 0.245 57 V C 3.061 179.007 176.094 -0.247 0.000 1.045 57 V CA 1.929 64.048 62.300 -0.302 0.000 1.024 57 V CB -1.127 30.379 31.823 -0.529 0.000 0.651 57 V HN 0.612 nan 8.190 nan 0.000 0.449 58 A N -0.171 122.520 122.820 -0.215 0.000 1.902 58 A HA -0.097 4.224 4.320 0.000 0.000 0.217 58 A C 2.406 179.860 177.584 -0.216 0.000 1.181 58 A CA 2.094 54.057 52.037 -0.123 0.000 0.623 58 A CB -0.767 18.225 19.000 -0.013 0.000 0.818 58 A HN 0.555 nan 8.150 nan 0.000 0.443 59 A N -0.265 122.195 122.820 -0.600 0.000 1.845 59 A HA -0.142 4.178 4.320 0.000 0.000 0.215 59 A C 1.859 179.177 177.584 -0.444 0.000 1.195 59 A CA 1.559 52.956 52.037 -1.067 0.000 0.616 59 A CB -0.499 17.677 19.000 -1.373 0.000 0.832 59 A HN 0.454 nan 8.150 nan 0.000 0.443 60 E N 0.508 120.511 120.200 -0.328 0.000 2.478 60 E HA -0.071 4.279 4.350 0.000 0.000 0.198 60 E C 1.659 178.212 176.600 -0.078 0.000 1.046 60 E CA 1.044 57.356 56.400 -0.146 0.000 0.870 60 E CB -0.190 29.429 29.700 -0.136 0.000 0.818 60 E HN 0.721 nan 8.360 nan 0.000 0.527 61 S N -0.897 114.798 115.700 -0.009 0.000 2.557 61 S HA 0.128 4.598 4.470 0.000 0.000 0.223 61 S C 1.399 176.112 174.600 0.189 0.000 0.969 61 S CA 0.324 58.596 58.200 0.120 0.000 0.927 61 S CB 0.312 63.672 63.200 0.268 0.000 0.806 61 S HN 0.160 nan 8.310 nan 0.000 0.489 62 S N 1.366 117.138 115.700 0.119 0.000 4.640 62 S HA 0.148 4.618 4.470 0.000 0.000 0.157 62 S C 1.379 176.018 174.600 0.065 0.000 0.963 62 S CA 0.568 58.852 58.200 0.140 0.000 1.235 62 S CB -0.275 63.089 63.200 0.272 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.773 113.842 114.554 0.102 0.000 2.975 63 T HA 0.500 4.850 4.350 0.000 0.000 0.261 63 T C 0.835 175.592 174.700 0.095 0.000 0.984 63 T CA 0.405 62.565 62.100 0.099 0.000 0.911 63 T CB 0.175 69.148 68.868 0.176 0.000 1.127 63 T HN 0.731 nan 8.240 nan 0.000 0.514 64 G N 0.212 109.039 108.800 0.045 0.000 2.461 64 G HA2 0.572 4.532 3.960 0.000 0.000 0.329 64 G HA3 0.572 4.532 3.960 0.000 0.000 0.329 64 G C -0.961 173.996 174.900 0.095 0.000 1.170 64 G CA -0.351 44.793 45.100 0.074 0.000 0.935 64 G HN 0.270 nan 8.290 nan 0.000 0.492 65 T N -1.162 113.481 114.554 0.149 0.000 2.742 65 T HA 0.399 4.749 4.350 0.000 0.000 0.282 65 T C 0.844 175.682 174.700 0.229 0.000 1.025 65 T CA -0.450 61.769 62.100 0.199 0.000 1.020 65 T CB 0.834 69.768 68.868 0.110 0.000 1.317 65 T HN 0.681 nan 8.240 nan 0.000 0.538 66 W N 0.920 122.319 121.300 0.164 0.000 2.465 66 W HA 0.198 4.858 4.660 0.000 0.000 0.268 66 W C 0.378 176.876 176.519 -0.036 0.000 1.242 66 W CA 0.837 58.224 57.345 0.071 0.000 1.248 66 W CB -1.192 28.331 29.460 0.106 0.000 1.118 66 W HN 0.557 nan 8.180 nan 0.000 0.587 67 T N 0.635 114.648 114.554 -0.902 0.000 2.865 67 T HA 0.360 4.710 4.350 0.000 0.000 0.294 67 T C -0.498 173.962 174.700 -0.398 0.000 1.119 67 T CA -0.374 61.260 62.100 -0.776 0.000 1.007 67 T CB 1.830 69.880 68.868 -1.364 0.000 1.225 67 T HN -0.207 nan 8.240 nan 0.000 0.515 68 T N 2.494 116.934 114.554 -0.189 0.000 2.814 68 T HA 0.465 4.815 4.350 0.000 0.000 0.297 68 T C 0.139 174.937 174.700 0.164 0.000 0.956 68 T CA -0.408 61.705 62.100 0.022 0.000 1.123 68 T CB 0.142 69.075 68.868 0.108 0.000 0.902 68 T HN 0.655 nan 8.240 nan 0.000 0.528 69 V N 3.500 123.440 119.914 0.044 0.000 2.483 69 V HA 0.442 4.562 4.120 0.000 0.000 0.295 69 V C 1.266 177.165 176.094 -0.326 0.000 1.035 69 V CA -1.137 61.081 62.300 -0.136 0.000 0.896 69 V CB 1.102 32.774 31.823 -0.253 0.000 0.986 69 V HN 1.040 nan 8.190 nan 0.000 0.447 70 W N 2.948 123.735 121.300 -0.854 0.000 2.392 70 W HA -0.124 4.536 4.660 -0.000 0.000 0.279 70 W C 1.468 177.757 176.519 -0.383 0.000 1.225 70 W CA 1.486 58.249 57.345 -0.970 0.000 1.233 70 W CB -1.748 26.921 29.460 -1.317 0.000 1.122 70 W HN 0.764 nan 8.180 nan 0.000 0.561 71 T N -1.001 112.920 114.554 -1.054 0.000 2.977 71 T HA -0.235 4.115 4.350 0.000 0.000 0.271 71 T C 1.138 175.629 174.700 -0.348 0.000 1.105 71 T CA 1.652 63.220 62.100 -0.887 0.000 1.116 71 T CB -0.621 67.643 68.868 -1.006 0.000 0.878 71 T HN -0.052 nan 8.240 nan 0.000 0.509 72 D N 1.956 122.223 120.400 -0.222 0.000 2.182 72 D HA -0.033 4.607 4.640 0.000 0.000 0.201 72 D C 2.333 178.619 176.300 -0.023 0.000 0.986 72 D CA 1.316 55.268 54.000 -0.081 0.000 0.847 72 D CB -0.894 39.896 40.800 -0.018 0.000 0.942 72 D HN 0.612 nan 8.370 nan 0.000 0.467 73 G N 0.200 109.002 108.800 0.003 0.000 2.509 73 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 73 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 73 G C 1.611 176.545 174.900 0.057 0.000 1.124 73 G CA 0.069 45.204 45.100 0.058 0.000 0.776 73 G HN 0.284 nan 8.290 nan 0.000 0.547 74 L N 0.625 121.863 121.223 0.025 0.000 2.395 74 L HA 0.119 4.460 4.340 0.000 0.000 0.218 74 L C 1.350 178.236 176.870 0.026 0.000 1.130 74 L CA 0.497 55.356 54.840 0.032 0.000 0.826 74 L CB -0.345 41.714 42.059 -0.001 0.000 0.941 74 L HN 0.160 nan 8.230 nan 0.000 0.451 75 T N -2.377 112.192 114.554 0.025 0.000 2.844 75 T HA 0.215 4.565 4.350 0.000 0.000 0.274 75 T C -0.199 174.559 174.700 0.096 0.000 0.991 75 T CA -0.611 61.535 62.100 0.077 0.000 0.983 75 T CB 1.273 70.196 68.868 0.092 0.000 1.310 75 T HN -0.158 nan 8.240 nan 0.000 0.596 76 N N 0.975 119.768 118.700 0.155 0.000 2.936 76 N HA 0.180 4.920 4.740 0.000 0.000 0.243 76 N C 0.523 176.099 175.510 0.110 0.000 1.149 76 N CA -0.584 52.513 53.050 0.079 0.000 0.914 76 N CB 0.311 38.804 38.487 0.011 0.000 1.179 76 N HN 0.521 nan 8.380 nan 0.000 0.502 77 L N 2.245 123.524 121.223 0.094 0.000 2.081 77 L HA -0.120 4.220 4.340 0.000 0.000 0.212 77 L C 1.093 177.976 176.870 0.022 0.000 1.080 77 L CA 1.898 56.795 54.840 0.095 0.000 0.754 77 L CB -0.120 41.962 42.059 0.039 0.000 0.893 77 L HN 0.408 nan 8.230 nan 0.000 0.433 78 D N -1.156 119.218 120.400 -0.043 0.000 2.310 78 D HA -0.167 4.473 4.640 0.000 0.000 0.212 78 D C 2.181 178.413 176.300 -0.113 0.000 0.965 78 D CA 0.628 54.576 54.000 -0.088 0.000 0.879 78 D CB -0.167 40.586 40.800 -0.077 0.000 0.921 78 D HN 0.407 nan 8.370 nan 0.000 0.510 79 R N -0.477 119.919 120.500 -0.174 0.000 2.119 79 R HA -0.095 4.245 4.340 0.000 0.000 0.222 79 R C 1.228 177.264 176.300 -0.440 0.000 1.088 79 R CA 0.885 56.774 56.100 -0.352 0.000 0.984 79 R CB 0.115 30.087 30.300 -0.547 0.000 0.884 79 R HN 0.204 nan 8.270 nan 0.000 0.447 80 Y N 0.715 121.008 120.300 -0.011 0.000 2.524 80 Y HA 0.113 4.664 4.550 0.000 0.000 0.270 80 Y C 0.348 176.258 175.900 0.017 0.000 1.094 80 Y CA -0.087 58.012 58.100 -0.001 0.000 1.276 80 Y CB 0.070 38.526 38.460 -0.006 0.000 1.130 80 Y HN -0.076 nan 8.280 nan 0.000 0.536 81 K N 1.460 121.950 120.400 0.150 0.000 2.485 81 K HA 0.235 4.555 4.320 0.000 0.000 0.277 81 K C 0.542 177.201 176.600 0.099 0.000 0.990 81 K CA 0.317 56.699 56.287 0.159 0.000 0.994 81 K CB 0.477 32.979 32.500 0.003 0.000 0.906 81 K HN 0.158 nan 8.250 nan 0.000 0.488 82 G N 2.469 111.374 108.800 0.174 0.000 2.507 82 G HA2 0.336 4.296 3.960 0.000 0.000 0.271 82 G HA3 0.336 4.296 3.960 0.000 0.000 0.271 82 G C -0.728 174.182 174.900 0.017 0.000 1.189 82 G CA -0.991 44.089 45.100 -0.033 0.000 0.859 82 G HN 0.820 nan 8.290 nan 0.000 0.542 83 R N -0.023 120.408 120.500 -0.115 0.000 2.566 83 R HA 0.343 4.683 4.340 0.000 0.000 0.271 83 R C -1.676 174.671 176.300 0.080 0.000 1.071 83 R CA -0.735 55.357 56.100 -0.013 0.000 0.915 83 R CB 0.583 30.773 30.300 -0.183 0.000 1.228 83 R HN 0.490 nan 8.270 nan 0.000 0.449 84 C N 5.210 124.601 119.300 0.151 0.000 2.416 84 C HA 0.301 4.762 4.460 0.000 0.000 0.355 84 C C 0.903 176.037 174.990 0.240 0.000 1.211 84 C CA -0.473 58.661 59.018 0.193 0.000 1.699 84 C CB -1.743 26.138 27.740 0.235 0.000 2.310 84 C HN 0.868 nan 8.230 nan 0.000 0.539 85 Y N 2.944 123.377 120.300 0.222 0.000 2.449 85 Y HA 0.456 5.006 4.550 0.000 0.000 0.254 85 Y C 0.755 176.839 175.900 0.305 0.000 1.140 85 Y CA -0.124 58.100 58.100 0.207 0.000 1.272 85 Y CB -0.439 38.203 38.460 0.303 0.000 1.114 85 Y HN 0.784 nan 8.280 nan 0.000 0.525 86 H N 0.060 119.069 119.070 -0.102 0.000 3.094 86 H HA 0.542 5.098 4.556 0.000 0.000 0.346 86 H C -2.040 173.406 175.328 0.197 0.000 1.238 86 H CA -0.954 55.120 56.048 0.042 0.000 1.209 86 H CB 1.992 31.682 29.762 -0.120 0.000 1.911 86 H HN 0.107 nan 8.280 nan 0.000 0.540 87 I N 3.987 124.250 120.570 -0.513 0.000 2.534 87 I HA 0.175 4.345 4.170 0.000 0.000 0.288 87 I C -0.835 175.063 176.117 -0.365 0.000 1.077 87 I CA -0.554 60.587 61.300 -0.265 0.000 1.051 87 I CB 2.228 40.127 38.000 -0.167 0.000 1.234 87 I HN 0.524 nan 8.210 nan 0.000 0.425 88 E N 7.906 128.085 120.200 -0.035 0.000 2.224 88 E HA 0.547 4.897 4.350 0.000 0.000 0.265 88 E C -2.910 173.803 176.600 0.188 0.000 0.878 88 E CA -2.099 54.358 56.400 0.094 0.000 0.759 88 E CB 2.581 32.426 29.700 0.241 0.000 1.164 88 E HN 0.158 nan 8.360 nan 0.000 0.414 89 P HA 0.009 nan 4.420 nan 0.000 0.271 89 P C -0.146 177.132 177.300 -0.036 0.000 1.218 89 P CA -0.411 62.712 63.100 0.039 0.000 0.780 89 P CB 1.129 32.850 31.700 0.035 0.000 0.901 90 V N 2.812 122.638 119.914 -0.147 0.000 2.432 90 V HA 0.271 4.391 4.120 0.000 0.000 0.271 90 V C 1.071 177.121 176.094 -0.073 0.000 1.046 90 V CA -0.570 61.685 62.300 -0.075 0.000 0.945 90 V CB 0.330 32.107 31.823 -0.076 0.000 0.992 90 V HN 0.727 nan 8.190 nan 0.000 0.471 91 A N 4.366 127.168 122.820 -0.030 0.000 2.524 91 A HA 0.493 4.813 4.320 0.000 0.000 0.250 91 A C 1.522 179.090 177.584 -0.027 0.000 1.078 91 A CA 0.616 52.639 52.037 -0.024 0.000 0.761 91 A CB -0.503 18.492 19.000 -0.008 0.000 1.012 91 A HN 2.154 nan 8.150 nan 0.000 0.500 92 G N 1.390 110.172 108.800 -0.030 0.000 2.162 92 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 92 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 92 G C -0.008 174.871 174.900 -0.036 0.000 0.976 92 G CA 0.479 45.564 45.100 -0.025 0.000 0.655 92 G HN 0.789 nan 8.290 nan 0.000 0.533 93 E N 0.587 120.750 120.200 -0.062 0.000 2.202 93 E HA 0.531 4.881 4.350 0.000 0.000 0.272 93 E C -0.335 176.202 176.600 -0.105 0.000 0.951 93 E CA -0.576 55.775 56.400 -0.081 0.000 0.813 93 E CB 1.266 30.903 29.700 -0.105 0.000 1.151 93 E HN 0.430 nan 8.360 nan 0.000 0.398 94 E N 1.591 121.741 120.200 -0.083 0.000 2.081 94 E HA 0.219 4.569 4.350 0.000 0.000 0.276 94 E C -0.311 176.232 176.600 -0.094 0.000 0.950 94 E CA -0.608 55.749 56.400 -0.072 0.000 0.776 94 E CB 0.289 29.967 29.700 -0.036 0.000 1.094 94 E HN 0.337 nan 8.360 nan 0.000 0.402 95 N N 2.593 121.215 118.700 -0.131 0.000 2.714 95 N HA -0.259 4.481 4.740 0.000 0.000 0.253 95 N C -1.316 174.089 175.510 -0.175 0.000 1.024 95 N CA 0.822 53.804 53.050 -0.113 0.000 0.726 95 N CB -0.588 37.903 38.487 0.006 0.000 0.908 95 N HN 0.693 nan 8.380 nan 0.000 0.542 96 Q N 0.796 120.325 119.800 -0.452 0.000 2.289 96 Q HA 0.503 4.843 4.340 0.000 0.000 0.270 96 Q C -1.531 174.109 176.000 -0.600 0.000 1.038 96 Q CA -0.699 54.911 55.803 -0.320 0.000 0.812 96 Q CB 1.064 29.713 28.738 -0.148 0.000 1.300 96 Q HN 0.268 nan 8.270 nan 0.000 0.427 97 Y N 1.827 122.113 120.300 -0.024 0.000 2.576 97 Y HA 0.514 5.064 4.550 0.000 0.000 0.346 97 Y C -0.272 175.613 175.900 -0.025 0.000 1.018 97 Y CA -1.183 56.902 58.100 -0.024 0.000 1.050 97 Y CB 1.501 39.929 38.460 -0.054 0.000 1.280 97 Y HN 0.472 nan 8.280 nan 0.000 0.474 98 I N 2.401 123.062 120.570 0.152 0.000 2.306 98 I HA 0.204 4.374 4.170 0.000 0.000 0.288 98 I C -0.716 175.394 176.117 -0.012 0.000 1.036 98 I CA -0.581 60.738 61.300 0.032 0.000 1.221 98 I CB 0.041 38.085 38.000 0.073 0.000 1.385 98 I HN 0.578 nan 8.210 nan 0.000 0.472 99 C N 7.071 126.339 119.300 -0.053 0.000 2.307 99 C HA 0.425 4.886 4.460 0.000 0.000 0.340 99 C C 0.095 175.032 174.990 -0.088 0.000 1.275 99 C CA -0.643 58.362 59.018 -0.021 0.000 1.811 99 C CB -0.410 27.316 27.740 -0.023 0.000 2.372 99 C HN 0.467 nan 8.230 nan 0.000 0.531 100 Y N 1.927 122.209 120.300 -0.030 0.000 2.313 100 Y HA 0.533 5.083 4.550 0.000 0.000 0.332 100 Y C 0.367 176.182 175.900 -0.142 0.000 1.071 100 Y CA -0.284 57.762 58.100 -0.091 0.000 1.169 100 Y CB 0.781 38.987 38.460 -0.423 0.000 1.192 100 Y HN 0.415 nan 8.280 nan 0.000 0.487 101 V N 2.849 122.931 119.914 0.281 0.000 2.604 101 V HA 0.815 4.935 4.120 0.000 0.000 0.305 101 V C -0.361 175.890 176.094 0.262 0.000 1.043 101 V CA -1.132 61.293 62.300 0.209 0.000 0.888 101 V CB 1.635 33.516 31.823 0.096 0.000 0.995 101 V HN 0.849 nan 8.190 nan 0.000 0.429 102 A N 4.045 126.963 122.820 0.163 0.000 2.318 102 A HA 0.861 5.181 4.320 0.000 0.000 0.324 102 A C -1.476 176.019 177.584 -0.149 0.000 1.170 102 A CA -0.391 51.708 52.037 0.102 0.000 0.810 102 A CB 0.629 19.698 19.000 0.114 0.000 1.198 102 A HN 0.747 nan 8.150 nan 0.000 0.484 103 Y N 2.410 122.826 120.300 0.194 0.000 2.331 103 Y HA 0.424 4.974 4.550 0.000 0.000 0.334 103 Y C -2.379 173.661 175.900 0.234 0.000 0.960 103 Y CA -2.396 55.844 58.100 0.234 0.000 1.130 103 Y CB 1.740 40.460 38.460 0.434 0.000 1.164 103 Y HN 0.494 nan 8.280 nan 0.000 0.458 104 P HA -0.057 nan 4.420 nan 0.000 0.266 104 P C 0.802 178.265 177.300 0.271 0.000 1.195 104 P CA -0.076 63.148 63.100 0.207 0.000 0.768 104 P CB 0.907 32.680 31.700 0.122 0.000 0.838 105 L N 3.375 124.721 121.223 0.204 0.000 2.051 105 L HA -0.236 4.104 4.340 0.000 0.000 0.214 105 L C 1.309 178.312 176.870 0.222 0.000 1.076 105 L CA 2.111 57.075 54.840 0.207 0.000 0.758 105 L CB -1.127 41.012 42.059 0.134 0.000 0.890 105 L HN 0.306 nan 8.230 nan 0.000 0.433 106 D N -0.760 119.742 120.400 0.169 0.000 2.354 106 D HA -0.154 4.486 4.640 0.000 0.000 0.216 106 D C 2.136 178.474 176.300 0.064 0.000 0.970 106 D CA 0.899 54.997 54.000 0.162 0.000 0.905 106 D CB -0.148 40.815 40.800 0.270 0.000 0.903 106 D HN 0.411 nan 8.370 nan 0.000 0.508 107 L N -0.881 120.292 121.223 -0.083 0.000 2.478 107 L HA 0.048 4.388 4.340 0.000 0.000 0.223 107 L C 0.146 176.582 176.870 -0.723 0.000 1.140 107 L CA 0.295 54.864 54.840 -0.450 0.000 0.842 107 L CB -0.116 41.538 42.059 -0.675 0.000 0.953 107 L HN -0.103 nan 8.230 nan 0.000 0.452 108 F N -0.387 119.530 119.950 -0.054 0.000 2.480 108 F HA 0.323 4.850 4.527 0.000 0.000 0.329 108 F C 0.594 176.439 175.800 0.075 0.000 1.091 108 F CA -1.185 56.781 58.000 -0.056 0.000 0.972 108 F CB 1.079 39.884 39.000 -0.325 0.000 1.150 108 F HN -0.187 nan 8.300 nan 0.000 0.467 109 E N 1.649 122.012 120.200 0.272 0.000 2.316 109 E HA 0.155 4.505 4.350 0.000 0.000 0.275 109 E C -0.831 175.921 176.600 0.253 0.000 1.029 109 E CA -0.611 55.903 56.400 0.189 0.000 0.871 109 E CB 0.607 30.366 29.700 0.098 0.000 1.022 109 E HN 0.503 nan 8.360 nan 0.000 0.418 110 E N 2.613 122.892 120.200 0.133 0.000 2.452 110 E HA 0.167 4.517 4.350 0.000 0.000 0.261 110 E C 0.965 177.336 176.600 -0.381 0.000 0.987 110 E CA 1.361 57.727 56.400 -0.057 0.000 0.926 110 E CB 0.509 30.169 29.700 -0.066 0.000 0.934 110 E HN 0.819 nan 8.360 nan 0.000 0.452 111 G N 2.577 110.732 108.800 -1.073 0.000 2.175 111 G HA2 -0.347 3.614 3.960 0.000 0.000 0.265 111 G HA3 -0.347 3.614 3.960 0.000 0.000 0.265 111 G C 0.397 174.831 174.900 -0.777 0.000 0.979 111 G CA 0.618 44.789 45.100 -1.548 0.000 0.663 111 G HN 0.558 nan 8.290 nan 0.000 0.533 112 S N -0.343 115.192 115.700 -0.275 0.000 2.488 112 S HA 0.528 4.998 4.470 0.000 0.000 0.310 112 S C 1.558 176.259 174.600 0.168 0.000 1.093 112 S CA 0.092 58.315 58.200 0.038 0.000 1.129 112 S CB 1.184 64.413 63.200 0.049 0.000 0.989 112 S HN 0.544 nan 8.310 nan 0.000 0.479 113 V N 4.939 124.909 119.914 0.092 0.000 2.490 113 V HA -0.132 3.988 4.120 0.000 0.000 0.250 113 V C 2.583 178.416 176.094 -0.435 0.000 1.061 113 V CA 2.410 64.497 62.300 -0.355 0.000 1.064 113 V CB -1.050 30.234 31.823 -0.899 0.000 0.670 113 V HN 0.833 nan 8.190 nan 0.000 0.461 114 T N 0.040 114.487 114.554 -0.179 0.000 2.665 114 T HA -0.259 4.091 4.350 0.000 0.000 0.268 114 T C 1.918 176.646 174.700 0.047 0.000 1.035 114 T CA 1.993 64.081 62.100 -0.020 0.000 1.151 114 T CB -0.463 68.453 68.868 0.079 0.000 0.862 114 T HN 0.588 nan 8.240 nan 0.000 0.438 115 N N 0.466 119.215 118.700 0.081 0.000 2.171 115 N HA -0.058 4.682 4.740 0.000 0.000 0.184 115 N C 2.126 177.761 175.510 0.208 0.000 1.021 115 N CA 1.037 54.166 53.050 0.133 0.000 0.854 115 N CB -0.208 38.367 38.487 0.147 0.000 0.994 115 N HN 0.393 nan 8.380 nan 0.000 0.426 116 M N -0.095 119.650 119.600 0.242 0.000 2.080 116 M HA -0.191 4.289 4.480 0.000 0.000 0.260 116 M C 1.492 177.969 176.300 0.295 0.000 1.068 116 M CA 1.601 57.075 55.300 0.289 0.000 1.109 116 M CB -0.158 32.487 32.600 0.074 0.000 1.342 116 M HN 0.036 nan 8.290 nan 0.000 0.405 117 F N 0.601 120.555 119.950 0.006 0.000 2.146 117 F HA -0.126 4.401 4.527 0.000 0.000 0.298 117 F C 2.617 178.431 175.800 0.024 0.000 1.096 117 F CA 1.646 59.640 58.000 -0.011 0.000 1.275 117 F CB -1.713 37.268 39.000 -0.032 0.000 1.008 117 F HN 0.201 nan 8.300 nan 0.000 0.480 118 T N -0.712 113.981 114.554 0.231 0.000 2.737 118 T HA -0.188 4.162 4.350 0.000 0.000 0.269 118 T C 2.354 177.109 174.700 0.091 0.000 1.040 118 T CA 1.786 63.964 62.100 0.131 0.000 1.142 118 T CB -0.342 68.582 68.868 0.093 0.000 0.861 118 T HN 0.146 nan 8.240 nan 0.000 0.456 119 S N 0.579 116.334 115.700 0.092 0.000 2.325 119 S HA 0.152 4.623 4.470 0.000 0.000 0.214 119 S C 2.057 176.691 174.600 0.057 0.000 1.031 119 S CA 0.587 58.805 58.200 0.030 0.000 0.972 119 S CB -0.248 62.910 63.200 -0.069 0.000 0.908 119 S HN 0.406 nan 8.310 nan 0.000 0.453 120 I N 0.767 121.369 120.570 0.052 0.000 2.394 120 I HA -0.043 4.127 4.170 0.000 0.000 0.251 120 I C 1.385 177.696 176.117 0.323 0.000 1.136 120 I CA 0.988 62.351 61.300 0.105 0.000 1.425 120 I CB -0.015 37.969 38.000 -0.026 0.000 1.079 120 I HN 0.128 nan 8.210 nan 0.000 0.425 121 V N 0.247 120.284 119.914 0.205 0.000 3.346 121 V HA 0.237 4.357 4.120 0.000 0.000 0.309 121 V C 1.830 177.974 176.094 0.084 0.000 1.457 121 V CA 0.570 62.983 62.300 0.188 0.000 1.069 121 V CB 0.601 32.337 31.823 -0.144 0.000 0.944 121 V HN 0.408 nan 8.190 nan 0.000 0.449 122 G N 1.033 109.892 108.800 0.098 0.000 2.414 122 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 122 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 122 G C 1.134 176.050 174.900 0.027 0.000 1.188 122 G CA 1.077 46.206 45.100 0.048 0.000 0.783 122 G HN 0.547 nan 8.290 nan 0.000 0.537 123 N N -0.488 118.218 118.700 0.010 0.000 2.211 123 N HA 0.009 4.749 4.740 0.000 0.000 0.216 123 N C 2.159 177.574 175.510 -0.158 0.000 1.240 123 N CA 0.794 53.798 53.050 -0.077 0.000 0.895 123 N CB 0.568 38.960 38.487 -0.158 0.000 1.102 123 N HN 0.291 nan 8.380 nan 0.000 0.498 124 V N -1.226 118.636 119.914 -0.087 0.000 2.594 124 V HA -0.053 4.067 4.120 0.000 0.000 0.253 124 V C 1.635 177.699 176.094 -0.050 0.000 1.069 124 V CA 1.263 63.452 62.300 -0.184 0.000 1.082 124 V CB -1.169 30.551 31.823 -0.172 0.000 0.680 124 V HN -0.081 nan 8.190 nan 0.000 0.469 125 F N 2.442 122.363 119.950 -0.049 0.000 2.641 125 F HA 0.305 4.832 4.527 0.000 0.000 0.298 125 F C 2.237 178.106 175.800 0.116 0.000 1.146 125 F CA 0.996 59.023 58.000 0.045 0.000 1.464 125 F CB -0.682 38.334 39.000 0.028 0.000 1.101 125 F HN 0.351 nan 8.300 nan 0.000 0.585 126 G N -1.696 107.204 108.800 0.167 0.000 3.277 126 G HA2 0.033 3.993 3.960 0.000 0.000 0.243 126 G HA3 0.033 3.993 3.960 0.000 0.000 0.243 126 G C 0.116 175.075 174.900 0.099 0.000 1.107 126 G CA -0.205 44.960 45.100 0.109 0.000 0.771 126 G HN -0.020 nan 8.290 nan 0.000 0.544 127 F N 1.788 121.753 119.950 0.024 0.000 2.602 127 F HA 0.154 4.681 4.527 0.000 0.000 0.385 127 F C 1.748 177.548 175.800 -0.000 0.000 1.063 127 F CA -0.195 57.801 58.000 -0.006 0.000 1.233 127 F CB 0.995 39.962 39.000 -0.055 0.000 1.067 127 F HN -0.000 nan 8.300 nan 0.000 0.564 128 K N 3.044 123.620 120.400 0.294 0.000 2.152 128 K HA -0.161 4.159 4.320 0.000 0.000 0.206 128 K C 1.926 178.569 176.600 0.072 0.000 1.048 128 K CA 1.320 57.687 56.287 0.134 0.000 0.933 128 K CB -0.107 32.450 32.500 0.095 0.000 0.721 128 K HN 0.694 nan 8.250 nan 0.000 0.447 129 A N 0.816 123.651 122.820 0.024 0.000 2.216 129 A HA 0.021 4.341 4.320 0.000 0.000 0.214 129 A C 0.689 178.232 177.584 -0.069 0.000 1.160 129 A CA 0.671 52.660 52.037 -0.080 0.000 0.725 129 A CB -0.196 18.667 19.000 -0.228 0.000 0.784 129 A HN 0.108 nan 8.150 nan 0.000 0.472 130 L N -1.703 119.519 121.223 -0.003 0.000 2.346 130 L HA 0.435 4.775 4.340 0.000 0.000 0.274 130 L C 1.234 178.130 176.870 0.042 0.000 1.007 130 L CA -0.734 54.108 54.840 0.004 0.000 0.818 130 L CB 1.758 43.824 42.059 0.012 0.000 1.284 130 L HN 0.142 nan 8.230 nan 0.000 0.424 131 R N 1.275 121.797 120.500 0.037 0.000 2.100 131 R HA 0.318 4.658 4.340 0.000 0.000 0.220 131 R C 0.134 176.486 176.300 0.087 0.000 1.091 131 R CA 0.800 56.928 56.100 0.047 0.000 0.986 131 R CB 0.404 30.725 30.300 0.034 0.000 0.888 131 R HN 0.748 nan 8.270 nan 0.000 0.444 132 A N 0.168 123.058 122.820 0.116 0.000 2.610 132 A HA 0.620 4.940 4.320 0.000 0.000 0.291 132 A C -2.057 175.601 177.584 0.123 0.000 1.086 132 A CA -0.613 51.574 52.037 0.250 0.000 0.677 132 A CB 1.715 20.845 19.000 0.217 0.000 1.278 132 A HN 0.044 nan 8.150 nan 0.000 0.414 133 L N 0.209 121.467 121.223 0.058 0.000 2.565 133 L HA 0.747 5.087 4.340 0.000 0.000 0.261 133 L C -0.796 175.934 176.870 -0.234 0.000 0.932 133 L CA -0.064 54.618 54.840 -0.263 0.000 0.878 133 L CB 1.956 43.597 42.059 -0.697 0.000 1.333 133 L HN 0.852 nan 8.230 nan 0.000 0.409 134 R N 3.879 124.355 120.500 -0.040 0.000 2.575 134 R HA 0.624 4.964 4.340 0.000 0.000 0.293 134 R C -1.846 174.538 176.300 0.141 0.000 0.983 134 R CA -0.906 55.271 56.100 0.127 0.000 0.887 134 R CB 1.800 32.155 30.300 0.092 0.000 1.184 134 R HN 0.658 nan 8.270 nan 0.000 0.445 135 L N 4.358 125.702 121.223 0.202 0.000 2.260 135 L HA 0.266 4.606 4.340 0.000 0.000 0.289 135 L C 0.675 177.477 176.870 -0.114 0.000 1.057 135 L CA 0.481 55.270 54.840 -0.084 0.000 0.811 135 L CB 1.219 43.226 42.059 -0.086 0.000 1.184 135 L HN 0.712 nan 8.230 nan 0.000 0.429 136 E N 2.231 122.271 120.200 -0.267 0.000 2.166 136 E HA 0.104 4.454 4.350 0.000 0.000 0.192 136 E C -0.256 176.165 176.600 -0.299 0.000 0.967 136 E CA 0.487 56.695 56.400 -0.319 0.000 0.840 136 E CB 0.470 29.727 29.700 -0.738 0.000 0.795 136 E HN 0.684 nan 8.360 nan 0.000 0.470 137 D N -1.107 119.122 120.400 -0.285 0.000 2.653 137 D HA 0.390 5.030 4.640 0.000 0.000 0.258 137 D C -1.533 174.843 176.300 0.125 0.000 1.252 137 D CA -0.467 53.526 54.000 -0.012 0.000 0.777 137 D CB 1.402 42.252 40.800 0.082 0.000 1.339 137 D HN -0.154 nan 8.370 nan 0.000 0.422 138 L N 1.376 122.674 121.223 0.126 0.000 2.436 138 L HA 0.495 4.835 4.340 0.000 0.000 0.268 138 L C -0.299 176.470 176.870 -0.170 0.000 0.974 138 L CA -0.891 53.912 54.840 -0.062 0.000 0.826 138 L CB 2.248 44.256 42.059 -0.085 0.000 1.291 138 L HN 0.181 nan 8.230 nan 0.000 0.406 139 R N 4.206 124.383 120.500 -0.538 0.000 2.204 139 R HA 0.458 4.798 4.340 0.000 0.000 0.341 139 R C -0.962 175.137 176.300 -0.335 0.000 1.035 139 R CA -0.473 55.347 56.100 -0.466 0.000 0.887 139 R CB 0.359 30.227 30.300 -0.719 0.000 1.114 139 R HN 0.570 nan 8.270 nan 0.000 0.473 140 I N 7.928 128.316 120.570 -0.303 0.000 2.337 140 I HA 0.191 4.362 4.170 0.000 0.000 0.291 140 I C -1.630 174.356 176.117 -0.219 0.000 1.046 140 I CA -1.906 59.238 61.300 -0.259 0.000 1.324 140 I CB 1.435 39.262 38.000 -0.288 0.000 1.409 140 I HN 0.302 nan 8.210 nan 0.000 0.494 141 P HA -0.051 nan 4.420 nan 0.000 0.268 141 P C 1.051 178.338 177.300 -0.021 0.000 1.205 141 P CA -0.087 62.975 63.100 -0.063 0.000 0.771 141 P CB 1.107 32.795 31.700 -0.021 0.000 0.858 142 V N 0.690 120.587 119.914 -0.027 0.000 2.720 142 V HA -0.188 3.932 4.120 0.000 0.000 0.256 142 V C 2.164 178.291 176.094 0.055 0.000 1.082 142 V CA 1.910 64.211 62.300 0.001 0.000 1.101 142 V CB -1.993 29.833 31.823 0.006 0.000 0.693 142 V HN 0.523 nan 8.190 nan 0.000 0.479 143 A N -1.045 121.819 122.820 0.073 0.000 2.014 143 A HA -0.063 4.257 4.320 0.000 0.000 0.218 143 A C 2.096 179.785 177.584 0.175 0.000 1.163 143 A CA 1.629 53.726 52.037 0.100 0.000 0.652 143 A CB -0.677 18.377 19.000 0.090 0.000 0.808 143 A HN 0.693 nan 8.150 nan 0.000 0.449 144 Y N -0.155 120.172 120.300 0.045 0.000 2.347 144 Y HA 0.017 4.567 4.550 0.000 0.000 0.294 144 Y C 2.279 178.315 175.900 0.227 0.000 1.117 144 Y CA 0.909 59.072 58.100 0.106 0.000 1.184 144 Y CB -0.147 38.339 38.460 0.043 0.000 1.047 144 Y HN 0.046 nan 8.280 nan 0.000 0.546 145 V N 0.765 120.764 119.914 0.142 0.000 2.332 145 V HA -0.320 3.800 4.120 0.000 0.000 0.248 145 V C 2.192 178.395 176.094 0.183 0.000 1.055 145 V CA 2.056 64.421 62.300 0.109 0.000 1.038 145 V CB -0.514 31.334 31.823 0.041 0.000 0.651 145 V HN 0.229 nan 8.190 nan 0.000 0.450 146 K N 0.603 121.071 120.400 0.113 0.000 2.519 146 K HA -0.080 4.240 4.320 0.000 0.000 0.196 146 K C 1.953 178.564 176.600 0.018 0.000 1.041 146 K CA 1.463 57.794 56.287 0.073 0.000 0.954 146 K CB -0.751 31.779 32.500 0.051 0.000 0.774 146 K HN 0.770 nan 8.250 nan 0.000 0.480 147 T N -2.328 112.202 114.554 -0.040 0.000 3.129 147 T HA 0.143 4.493 4.350 0.000 0.000 0.251 147 T C 0.436 174.877 174.700 -0.432 0.000 1.117 147 T CA -0.236 61.716 62.100 -0.246 0.000 1.034 147 T CB -0.213 68.430 68.868 -0.374 0.000 0.968 147 T HN -0.165 nan 8.240 nan 0.000 0.526 148 F N 1.022 120.884 119.950 -0.147 0.000 2.507 148 F HA 0.505 5.033 4.527 0.000 0.000 0.327 148 F C 1.503 177.268 175.800 -0.058 0.000 1.068 148 F CA -1.356 56.583 58.000 -0.102 0.000 0.965 148 F CB 2.022 40.952 39.000 -0.117 0.000 1.192 148 F HN -0.135 nan 8.300 nan 0.000 0.476 149 Q N 1.866 121.754 119.800 0.147 0.000 2.137 149 Q HA 0.240 4.580 4.340 0.000 0.000 0.198 149 Q C 0.997 177.034 176.000 0.063 0.000 0.960 149 Q CA 1.151 56.982 55.803 0.047 0.000 0.847 149 Q CB -0.020 28.719 28.738 0.002 0.000 0.915 149 Q HN 1.006 nan 8.270 nan 0.000 0.448 150 G N 0.467 109.330 108.800 0.106 0.000 2.642 150 G HA2 -0.241 3.719 3.960 0.000 0.000 0.231 150 G HA3 -0.241 3.719 3.960 0.000 0.000 0.231 150 G C -2.555 172.328 174.900 -0.029 0.000 1.338 150 G CA -0.438 44.671 45.100 0.015 0.000 0.883 150 G HN 0.315 nan 8.290 nan 0.000 0.570 151 P HA 0.199 nan 4.420 nan 0.000 0.265 151 P C -1.732 175.498 177.300 -0.118 0.000 1.187 151 P CA -0.343 62.702 63.100 -0.092 0.000 0.766 151 P CB 0.421 32.062 31.700 -0.099 0.000 0.820 152 P HA -0.148 nan 4.420 nan 0.000 0.218 152 P C 0.429 177.267 177.300 -0.769 0.000 1.149 152 P CA 1.859 64.752 63.100 -0.346 0.000 0.817 152 P CB 0.130 31.707 31.700 -0.203 0.000 0.785 153 H N -3.649 115.402 119.070 -0.031 0.000 1.955 153 H HA 0.452 5.008 4.556 0.000 0.000 0.196 153 H C 0.862 176.180 175.328 -0.016 0.000 0.891 153 H CA 0.730 56.766 56.048 -0.020 0.000 1.001 153 H CB -0.050 29.701 29.762 -0.019 0.000 1.195 153 H HN 0.055 nan 8.280 nan 0.000 0.384 154 G N 0.458 109.305 108.800 0.078 0.000 2.662 154 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 154 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 154 G C 0.634 175.574 174.900 0.067 0.000 1.271 154 G CA -0.197 44.924 45.100 0.034 0.000 0.816 154 G HN 0.253 nan 8.290 nan 0.000 0.608 155 I N 0.160 120.757 120.570 0.046 0.000 2.113 155 I HA -0.319 3.851 4.170 0.000 0.000 0.242 155 I C 2.912 179.077 176.117 0.080 0.000 1.064 155 I CA 2.536 63.873 61.300 0.061 0.000 1.320 155 I CB -0.242 37.784 38.000 0.043 0.000 1.028 155 I HN 0.770 nan 8.210 nan 0.000 0.406 156 Q N 0.980 120.827 119.800 0.078 0.000 2.020 156 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 156 Q C 2.390 178.455 176.000 0.109 0.000 0.982 156 Q CA 2.205 58.068 55.803 0.100 0.000 0.838 156 Q CB -0.018 28.769 28.738 0.083 0.000 0.899 156 Q HN 0.389 nan 8.270 nan 0.000 0.423 157 V N 1.357 121.331 119.914 0.100 0.000 2.343 157 V HA -0.258 3.862 4.120 0.000 0.000 0.247 157 V C 2.317 178.460 176.094 0.082 0.000 1.051 157 V CA 2.240 64.605 62.300 0.108 0.000 1.036 157 V CB -0.748 31.168 31.823 0.154 0.000 0.654 157 V HN 0.501 nan 8.190 nan 0.000 0.451 158 E N 0.343 120.595 120.200 0.085 0.000 2.051 158 E HA -0.244 4.106 4.350 0.000 0.000 0.192 158 E C 2.451 179.066 176.600 0.026 0.000 0.991 158 E CA 1.389 57.825 56.400 0.060 0.000 0.799 158 E CB -0.083 29.684 29.700 0.111 0.000 0.748 158 E HN 0.527 nan 8.360 nan 0.000 0.449 159 R N 0.345 120.853 120.500 0.013 0.000 2.096 159 R HA -0.116 4.224 4.340 0.000 0.000 0.235 159 R C 1.925 178.099 176.300 -0.210 0.000 1.127 159 R CA 1.401 57.417 56.100 -0.140 0.000 0.968 159 R CB -0.154 30.099 30.300 -0.078 0.000 0.861 159 R HN 0.269 nan 8.270 nan 0.000 0.440 160 D N 0.552 120.967 120.400 0.026 0.000 2.117 160 D HA -0.103 4.537 4.640 0.000 0.000 0.198 160 D C 1.810 178.130 176.300 0.034 0.000 0.982 160 D CA 1.040 55.105 54.000 0.109 0.000 0.828 160 D CB 0.013 40.901 40.800 0.146 0.000 0.967 160 D HN 0.012 nan 8.370 nan 0.000 0.464 161 K N 0.445 120.847 120.400 0.004 0.000 2.057 161 K HA -0.008 4.312 4.320 0.000 0.000 0.207 161 K C 2.206 178.793 176.600 -0.022 0.000 1.049 161 K CA 0.477 56.756 56.287 -0.014 0.000 0.931 161 K CB -0.313 32.155 32.500 -0.053 0.000 0.714 161 K HN 0.272 nan 8.250 nan 0.000 0.440 162 L N 0.232 121.426 121.223 -0.048 0.000 2.509 162 L HA 0.074 4.414 4.340 0.000 0.000 0.222 162 L C 0.550 177.343 176.870 -0.130 0.000 1.123 162 L CA -0.020 54.782 54.840 -0.063 0.000 0.856 162 L CB -0.504 41.531 42.059 -0.039 0.000 0.985 162 L HN 0.395 nan 8.230 nan 0.000 0.456 163 N N 1.554 120.133 118.700 -0.203 0.000 2.756 163 N HA -0.175 4.565 4.740 0.000 0.000 0.248 163 N C -0.542 174.731 175.510 -0.394 0.000 1.062 163 N CA 0.391 53.302 53.050 -0.232 0.000 0.696 163 N CB -0.354 38.115 38.487 -0.030 0.000 0.946 163 N HN 0.379 nan 8.380 nan 0.000 0.548 164 K N 1.563 121.539 120.400 -0.708 0.000 2.463 164 K HA 0.421 4.741 4.320 0.000 0.000 0.255 164 K C -1.502 174.690 176.600 -0.680 0.000 0.942 164 K CA -0.367 55.626 56.287 -0.490 0.000 0.814 164 K CB 1.155 33.492 32.500 -0.272 0.000 1.122 164 K HN 0.121 nan 8.250 nan 0.000 0.425 165 Y N -0.644 119.662 120.300 0.010 0.000 2.544 165 Y HA 0.407 4.957 4.550 0.000 0.000 0.342 165 Y C 0.900 176.809 175.900 0.014 0.000 1.062 165 Y CA -0.773 57.336 58.100 0.015 0.000 1.023 165 Y CB 2.526 40.996 38.460 0.016 0.000 1.308 165 Y HN 0.755 nan 8.280 nan 0.000 0.457 166 G N 1.570 110.480 108.800 0.183 0.000 2.141 166 G HA2 -0.180 3.780 3.960 0.000 0.000 0.242 166 G HA3 -0.180 3.780 3.960 0.000 0.000 0.242 166 G C -0.245 174.700 174.900 0.075 0.000 0.982 166 G CA 0.206 45.372 45.100 0.110 0.000 0.662 166 G HN 0.957 nan 8.290 nan 0.000 0.527 167 R N -1.875 118.664 120.500 0.065 0.000 2.753 167 R HA 0.567 4.907 4.340 0.000 0.000 0.272 167 R C -3.532 172.792 176.300 0.039 0.000 1.034 167 R CA -1.647 54.483 56.100 0.050 0.000 0.869 167 R CB 0.352 30.674 30.300 0.037 0.000 1.264 167 R HN 0.027 nan 8.270 nan 0.000 0.481 168 P HA 0.133 nan 4.420 nan 0.000 0.272 168 P C -0.545 176.763 177.300 0.013 0.000 1.230 168 P CA -0.334 62.786 63.100 0.032 0.000 0.788 168 P CB 0.504 32.234 31.700 0.050 0.000 0.949 169 L N 1.617 122.842 121.223 0.003 0.000 2.399 169 L HA 0.387 4.727 4.340 0.000 0.000 0.266 169 L C 0.193 177.077 176.870 0.023 0.000 1.114 169 L CA -0.589 54.242 54.840 -0.015 0.000 0.804 169 L CB 0.218 42.300 42.059 0.040 0.000 1.146 169 L HN 0.170 nan 8.230 nan 0.000 0.451 170 L N 1.307 122.521 121.223 -0.015 0.000 2.322 170 L HA 0.681 5.021 4.340 0.000 0.000 0.281 170 L C 0.323 177.249 176.870 0.094 0.000 1.014 170 L CA -0.260 54.622 54.840 0.069 0.000 0.815 170 L CB 1.744 43.835 42.059 0.052 0.000 1.247 170 L HN 0.699 nan 8.230 nan 0.000 0.421 171 G N 0.788 109.676 108.800 0.147 0.000 3.042 171 G HA2 0.640 4.600 3.960 0.000 0.000 0.278 171 G HA3 0.640 4.600 3.960 0.000 0.000 0.278 171 G C -1.803 173.121 174.900 0.042 0.000 1.371 171 G CA -0.516 44.647 45.100 0.105 0.000 1.009 171 G HN 0.689 nan 8.290 nan 0.000 0.523 172 C N -0.017 119.247 119.300 -0.061 0.000 3.050 172 C HA 0.616 5.077 4.460 0.000 0.000 0.416 172 C C -0.274 174.651 174.990 -0.108 0.000 0.994 172 C CA -0.510 58.485 59.018 -0.039 0.000 1.222 172 C CB 0.310 28.054 27.740 0.008 0.000 1.612 172 C HN 0.809 nan 8.230 nan 0.000 0.550 173 T N 7.169 121.675 114.554 -0.080 0.000 2.794 173 T HA 0.381 4.731 4.350 0.000 0.000 0.296 173 T C 0.560 175.223 174.700 -0.062 0.000 0.949 173 T CA -0.174 61.880 62.100 -0.077 0.000 1.101 173 T CB 0.292 69.137 68.868 -0.038 0.000 0.905 173 T HN 0.579 nan 8.240 nan 0.000 0.516 174 I N 4.206 124.723 120.570 -0.089 0.000 2.648 174 I HA 0.204 4.374 4.170 0.000 0.000 0.284 174 I C 0.684 176.742 176.117 -0.099 0.000 1.153 174 I CA 0.081 61.268 61.300 -0.190 0.000 1.426 174 I CB 0.042 37.689 38.000 -0.589 0.000 1.381 174 I HN 0.425 nan 8.210 nan 0.000 0.571 175 K N 6.743 127.094 120.400 -0.081 0.000 2.395 175 K HA 0.577 4.897 4.320 0.000 0.000 0.247 175 K C -2.391 174.195 176.600 -0.023 0.000 0.973 175 K CA -1.678 54.597 56.287 -0.020 0.000 0.828 175 K CB 1.556 34.059 32.500 0.005 0.000 1.272 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 P HA 0.132 nan 4.420 nan 0.000 0.270 176 P C 0.283 177.593 177.300 0.016 0.000 1.223 176 P CA -0.171 62.928 63.100 -0.002 0.000 0.785 176 P CB 0.861 32.546 31.700 -0.026 0.000 0.923 177 K N 0.309 120.716 120.400 0.012 0.000 2.034 177 K HA -0.091 4.229 4.320 0.000 0.000 0.214 177 K C 0.833 177.465 176.600 0.052 0.000 1.051 177 K CA 1.301 57.611 56.287 0.038 0.000 0.931 177 K CB -0.339 32.169 32.500 0.014 0.000 0.715 177 K HN 0.404 nan 8.250 nan 0.000 0.446 178 L N -1.973 119.210 121.223 -0.067 0.000 2.309 178 L HA 0.403 4.743 4.340 0.000 0.000 0.261 178 L C 0.869 177.385 176.870 -0.589 0.000 1.021 178 L CA -0.276 54.388 54.840 -0.293 0.000 0.823 178 L CB 2.159 44.074 42.059 -0.240 0.000 1.366 178 L HN 0.500 nan 8.230 nan 0.000 0.423 179 G N 0.876 108.815 108.800 -1.435 0.000 2.259 179 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 179 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 179 G C -0.076 174.639 174.900 -0.309 0.000 1.001 179 G CA -0.497 44.063 45.100 -0.900 0.000 0.627 179 G HN 0.317 nan 8.290 nan 0.000 0.501 180 L N 2.337 123.536 121.223 -0.040 0.000 2.417 180 L HA 0.539 4.879 4.340 0.000 0.000 0.268 180 L C 1.524 178.587 176.870 0.322 0.000 1.158 180 L CA 0.063 55.015 54.840 0.186 0.000 0.819 180 L CB 1.310 43.552 42.059 0.305 0.000 1.112 180 L HN 0.498 nan 8.230 nan 0.000 0.458 181 S N 1.319 117.152 115.700 0.222 0.000 2.645 181 S HA 0.362 4.832 4.470 0.000 0.000 0.266 181 S C 0.957 175.654 174.600 0.162 0.000 1.258 181 S CA -0.195 58.114 58.200 0.181 0.000 0.990 181 S CB 1.538 64.789 63.200 0.084 0.000 0.967 181 S HN 0.690 nan 8.310 nan 0.000 0.556 182 A N 1.035 123.918 122.820 0.106 0.000 1.877 182 A HA -0.087 4.233 4.320 0.000 0.000 0.216 182 A C 2.164 179.700 177.584 -0.080 0.000 1.186 182 A CA 1.699 53.814 52.037 0.131 0.000 0.620 182 A CB -0.919 18.259 19.000 0.296 0.000 0.822 182 A HN 0.900 nan 8.150 nan 0.000 0.443 183 K N -0.330 119.786 120.400 -0.472 0.000 2.097 183 K HA -0.129 4.191 4.320 0.000 0.000 0.205 183 K C 1.718 178.159 176.600 -0.264 0.000 1.050 183 K CA 1.563 57.368 56.287 -0.802 0.000 0.938 183 K CB -0.269 31.749 32.500 -0.804 0.000 0.718 183 K HN 0.648 nan 8.250 nan 0.000 0.442 184 N N -0.777 117.871 118.700 -0.086 0.000 2.244 184 N HA -0.154 4.586 4.740 0.000 0.000 0.183 184 N C 1.538 177.089 175.510 0.067 0.000 1.016 184 N CA 0.684 53.736 53.050 0.002 0.000 0.866 184 N CB -0.063 38.444 38.487 0.034 0.000 0.980 184 N HN 0.157 nan 8.380 nan 0.000 0.430 185 Y N 1.215 121.512 120.300 -0.006 0.000 2.145 185 Y HA -0.118 4.432 4.550 0.000 0.000 0.286 185 Y C 2.491 178.397 175.900 0.010 0.000 1.145 185 Y CA 1.700 59.820 58.100 0.034 0.000 1.148 185 Y CB -0.659 37.849 38.460 0.080 0.000 0.981 185 Y HN 0.016 nan 8.280 nan 0.000 0.507 186 G N -0.452 108.452 108.800 0.173 0.000 2.418 186 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 186 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 186 G C 1.736 176.694 174.900 0.097 0.000 1.158 186 G CA 0.921 46.094 45.100 0.122 0.000 0.771 186 G HN 0.370 nan 8.290 nan 0.000 0.545 187 R N 0.702 121.238 120.500 0.059 0.000 2.080 187 R HA -0.029 4.311 4.340 0.000 0.000 0.236 187 R C 2.764 179.114 176.300 0.084 0.000 1.137 187 R CA 1.851 58.002 56.100 0.085 0.000 0.943 187 R CB -0.561 29.758 30.300 0.031 0.000 0.846 187 R HN 0.248 nan 8.270 nan 0.000 0.431 188 A N 0.469 123.296 122.820 0.011 0.000 1.902 188 A HA -0.091 4.229 4.320 0.000 0.000 0.217 188 A C 2.343 179.906 177.584 -0.035 0.000 1.181 188 A CA 1.634 53.649 52.037 -0.038 0.000 0.623 188 A CB -0.571 18.358 19.000 -0.118 0.000 0.818 188 A HN 0.260 nan 8.150 nan 0.000 0.443 189 V N -1.180 118.724 119.914 -0.017 0.000 2.343 189 V HA -0.274 3.846 4.120 0.000 0.000 0.247 189 V C 2.380 178.510 176.094 0.059 0.000 1.051 189 V CA 2.157 64.471 62.300 0.022 0.000 1.036 189 V CB -0.964 30.862 31.823 0.006 0.000 0.654 189 V HN 0.766 nan 8.190 nan 0.000 0.451 190 Y N 1.347 121.646 120.300 -0.002 0.000 2.163 190 Y HA -0.173 4.377 4.550 0.000 0.000 0.288 190 Y C 2.540 178.444 175.900 0.007 0.000 1.136 190 Y CA 1.801 59.907 58.100 0.010 0.000 1.147 190 Y CB -0.305 38.167 38.460 0.021 0.000 0.987 190 Y HN 0.251 nan 8.280 nan 0.000 0.509 191 E N -0.142 119.860 120.200 -0.330 0.000 2.077 191 E HA -0.220 4.130 4.350 0.000 0.000 0.193 191 E C 2.494 178.937 176.600 -0.261 0.000 0.989 191 E CA 1.466 57.635 56.400 -0.385 0.000 0.800 191 E CB -1.001 28.610 29.700 -0.149 0.000 0.746 191 E HN 0.552 nan 8.360 nan 0.000 0.452 192 C N 0.848 120.059 119.300 -0.148 0.000 2.413 192 C HA -0.119 4.341 4.460 0.000 0.000 0.278 192 C C 2.933 177.856 174.990 -0.110 0.000 1.224 192 C CA 0.533 59.490 59.018 -0.101 0.000 1.732 192 C CB -1.256 26.452 27.740 -0.053 0.000 2.050 192 C HN 0.367 nan 8.230 nan 0.000 0.463 193 L N 1.246 122.412 121.223 -0.095 0.000 2.042 193 L HA -0.191 4.149 4.340 0.000 0.000 0.210 193 L C 2.893 179.703 176.870 -0.101 0.000 1.076 193 L CA 2.004 56.801 54.840 -0.071 0.000 0.749 193 L CB -0.790 41.263 42.059 -0.009 0.000 0.893 193 L HN 0.493 nan 8.230 nan 0.000 0.432 194 R N 0.524 120.909 120.500 -0.192 0.000 2.241 194 R HA -0.081 4.259 4.340 0.000 0.000 0.224 194 R C 1.915 178.139 176.300 -0.127 0.000 1.101 194 R CA 1.294 57.289 56.100 -0.175 0.000 0.995 194 R CB -0.752 29.336 30.300 -0.354 0.000 0.870 194 R HN 0.284 nan 8.270 nan 0.000 0.463 195 G N -0.528 108.191 108.800 -0.136 0.000 2.712 195 G HA2 0.219 4.179 3.960 0.000 0.000 0.212 195 G HA3 0.219 4.179 3.960 0.000 0.000 0.212 195 G C 0.945 175.799 174.900 -0.077 0.000 1.142 195 G CA 0.329 45.368 45.100 -0.102 0.000 0.789 195 G HN 0.593 nan 8.290 nan 0.000 0.535 196 G N -0.893 107.863 108.800 -0.073 0.000 2.273 196 G HA2 -0.169 3.791 3.960 0.000 0.000 0.162 196 G HA3 -0.169 3.791 3.960 0.000 0.000 0.162 196 G C 0.293 175.148 174.900 -0.074 0.000 1.006 196 G CA -0.285 44.777 45.100 -0.063 0.000 0.704 196 G HN 0.324 nan 8.290 nan 0.000 0.487 197 L N 1.235 122.413 121.223 -0.076 0.000 2.436 197 L HA 0.363 4.703 4.340 0.000 0.000 0.265 197 L C 1.036 177.827 176.870 -0.132 0.000 1.168 197 L CA -0.541 54.253 54.840 -0.076 0.000 0.815 197 L CB 0.574 42.608 42.059 -0.041 0.000 1.109 197 L HN 0.002 nan 8.230 nan 0.000 0.462 198 D N 1.030 121.288 120.400 -0.238 0.000 2.240 198 D HA 0.077 4.717 4.640 0.000 0.000 0.206 198 D C -0.107 175.885 176.300 -0.514 0.000 0.963 198 D CA 1.336 55.048 54.000 -0.480 0.000 0.863 198 D CB 0.386 40.705 40.800 -0.803 0.000 0.973 198 D HN 0.136 nan 8.370 nan 0.000 0.501 199 F N -0.091 119.842 119.950 -0.028 0.000 2.629 199 F HA 0.387 4.914 4.527 0.000 0.000 0.316 199 F C 0.486 176.160 175.800 -0.210 0.000 1.081 199 F CA -1.087 56.850 58.000 -0.105 0.000 0.954 199 F CB 1.588 40.510 39.000 -0.129 0.000 1.337 199 F HN -0.363 nan 8.300 nan 0.000 0.474 200 T N -1.282 113.217 114.554 -0.091 0.000 2.887 200 T HA 0.848 5.198 4.350 0.000 0.000 0.292 200 T C -1.261 173.022 174.700 -0.694 0.000 1.087 200 T CA -1.068 60.916 62.100 -0.193 0.000 1.009 200 T CB 2.760 71.681 68.868 0.088 0.000 1.203 200 T HN 0.819 nan 8.240 nan 0.000 0.518 201 K N -0.173 119.841 120.400 -0.642 0.000 2.556 201 K HA 0.604 4.924 4.320 0.000 0.000 0.274 201 K C -1.893 174.560 176.600 -0.244 0.000 0.966 201 K CA -0.977 54.812 56.287 -0.829 0.000 0.865 201 K CB 1.351 33.304 32.500 -0.911 0.000 1.444 201 K HN 0.348 nan 8.250 nan 0.000 0.433 202 D N 1.564 121.925 120.400 -0.066 0.000 2.382 202 D HA 0.030 4.670 4.640 0.000 0.000 0.245 202 D C -0.573 175.811 176.300 0.140 0.000 1.120 202 D CA 0.293 54.454 54.000 0.268 0.000 0.890 202 D CB 0.800 41.733 40.800 0.221 0.000 1.201 202 D HN 0.458 nan 8.370 nan 0.000 0.433 203 D N 1.221 121.738 120.400 0.196 0.000 2.382 203 D HA -0.076 4.564 4.640 0.000 0.000 0.240 203 D C 1.375 177.674 176.300 -0.002 0.000 1.146 203 D CA -0.193 53.841 54.000 0.056 0.000 0.897 203 D CB 0.944 41.795 40.800 0.085 0.000 1.197 203 D HN 0.428 nan 8.370 nan 0.000 0.432 204 E N 2.771 122.871 120.200 -0.167 0.000 2.219 204 E HA -0.262 4.088 4.350 0.000 0.000 0.198 204 E C 0.691 177.256 176.600 -0.057 0.000 0.998 204 E CA 1.200 57.482 56.400 -0.196 0.000 0.818 204 E CB -0.391 28.989 29.700 -0.534 0.000 0.741 204 E HN 0.505 nan 8.360 nan 0.000 0.477 205 N N 0.816 119.508 118.700 -0.014 0.000 2.336 205 N HA 0.016 4.756 4.740 0.000 0.000 0.189 205 N C 0.102 175.673 175.510 0.102 0.000 1.113 205 N CA -0.093 52.980 53.050 0.038 0.000 0.858 205 N CB 0.174 38.684 38.487 0.038 0.000 0.970 205 N HN -0.055 nan 8.380 nan 0.000 0.471 206 V N 1.827 121.814 119.914 0.123 0.000 2.387 206 V HA 0.177 4.297 4.120 0.000 0.000 0.260 206 V C 0.234 176.397 176.094 0.116 0.000 1.054 206 V CA -0.114 62.283 62.300 0.163 0.000 0.967 206 V CB -0.383 31.546 31.823 0.176 0.000 1.036 206 V HN 0.319 nan 8.190 nan 0.000 0.481 207 N N 2.618 121.370 118.700 0.085 0.000 3.039 207 N HA 0.251 4.991 4.740 0.000 0.000 0.188 207 N C -0.208 175.342 175.510 0.066 0.000 1.310 207 N CA -0.358 52.730 53.050 0.064 0.000 1.111 207 N CB 0.595 39.093 38.487 0.019 0.000 1.311 207 N HN 0.495 nan 8.380 nan 0.000 0.490 208 S N 0.090 115.801 115.700 0.017 0.000 2.619 208 S HA 0.487 4.957 4.470 0.000 0.000 0.280 208 S C -1.767 172.759 174.600 -0.123 0.000 1.150 208 S CA -0.405 57.804 58.200 0.015 0.000 0.978 208 S CB 1.339 64.649 63.200 0.182 0.000 1.041 208 S HN 0.259 nan 8.310 nan 0.000 0.485 209 Q N 3.028 122.633 119.800 -0.325 0.000 2.565 209 Q HA 0.443 4.783 4.340 0.000 0.000 0.294 209 Q C -2.185 173.523 176.000 -0.487 0.000 1.005 209 Q CA -1.650 53.880 55.803 -0.454 0.000 0.771 209 Q CB 1.622 29.908 28.738 -0.753 0.000 1.486 209 Q HN 0.250 nan 8.270 nan 0.000 0.422 210 P HA -0.184 nan 4.420 nan 0.000 0.217 210 P C 0.515 177.739 177.300 -0.125 0.000 1.148 210 P CA 1.386 64.403 63.100 -0.138 0.000 0.828 210 P CB 0.065 31.758 31.700 -0.012 0.000 0.783 211 F N -2.630 117.334 119.950 0.023 0.000 2.558 211 F HA 0.307 4.834 4.527 -0.000 0.000 0.298 211 F C 0.890 176.706 175.800 0.027 0.000 1.119 211 F CA 0.010 58.026 58.000 0.026 0.000 1.451 211 F CB -0.532 38.489 39.000 0.034 0.000 1.091 211 F HN -0.182 nan 8.300 nan 0.000 0.563 212 M N 1.245 120.592 119.600 -0.421 0.000 2.355 212 M HA 0.327 4.807 4.480 0.000 0.000 0.232 212 M C -1.561 174.592 176.300 -0.244 0.000 0.988 212 M CA -0.523 54.670 55.300 -0.179 0.000 0.931 212 M CB 1.055 33.661 32.600 0.009 0.000 2.294 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 R N 3.890 124.300 120.500 -0.150 0.000 2.459 213 R HA 0.276 4.616 4.340 0.000 0.000 0.281 213 R C 1.065 177.293 176.300 -0.121 0.000 1.050 213 R CA -0.209 55.798 56.100 -0.155 0.000 1.055 213 R CB 0.629 30.805 30.300 -0.207 0.000 1.045 213 R HN 0.969 nan 8.270 nan 0.000 0.495 214 W N 4.416 125.612 121.300 -0.173 0.000 2.338 214 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 214 W C 1.190 177.539 176.519 -0.283 0.000 1.212 214 W CA 0.798 58.016 57.345 -0.212 0.000 1.264 214 W CB -0.494 28.756 29.460 -0.350 0.000 1.142 214 W HN 0.586 nan 8.180 nan 0.000 0.512 215 R N 1.061 120.763 120.500 -1.329 0.000 2.081 215 R HA -0.160 4.180 4.340 0.000 0.000 0.235 215 R C 1.918 178.013 176.300 -0.340 0.000 1.131 215 R CA 2.201 57.595 56.100 -1.177 0.000 0.960 215 R CB -0.468 28.836 30.300 -1.659 0.000 0.856 215 R HN -0.016 nan 8.270 nan 0.000 0.436 216 D N -0.145 120.089 120.400 -0.276 0.000 2.123 216 D HA -0.207 4.433 4.640 0.000 0.000 0.196 216 D C 1.884 178.301 176.300 0.195 0.000 0.992 216 D CA 1.112 55.086 54.000 -0.043 0.000 0.833 216 D CB -0.194 40.631 40.800 0.043 0.000 0.954 216 D HN 0.287 nan 8.370 nan 0.000 0.455 217 R N -0.319 120.318 120.500 0.228 0.000 2.066 217 R HA -0.125 4.215 4.340 0.000 0.000 0.232 217 R C 2.260 178.820 176.300 0.433 0.000 1.131 217 R CA 0.864 57.158 56.100 0.325 0.000 0.955 217 R CB -0.318 30.112 30.300 0.217 0.000 0.851 217 R HN 0.008 nan 8.270 nan 0.000 0.432 218 F N 1.305 121.385 119.950 0.216 0.000 2.091 218 F HA -0.232 4.295 4.527 0.000 0.000 0.299 218 F C 2.277 178.165 175.800 0.147 0.000 1.103 218 F CA 1.210 59.356 58.000 0.243 0.000 1.228 218 F CB -0.940 38.340 39.000 0.466 0.000 0.984 218 F HN 0.088 nan 8.300 nan 0.000 0.477 219 L N -1.421 120.026 121.223 0.374 0.000 1.994 219 L HA -0.258 4.083 4.340 0.000 0.000 0.208 219 L C 2.382 179.263 176.870 0.017 0.000 1.071 219 L CA 1.538 56.458 54.840 0.133 0.000 0.745 219 L CB -0.517 41.529 42.059 -0.021 0.000 0.892 219 L HN -0.031 nan 8.230 nan 0.000 0.431 220 F N -0.857 119.166 119.950 0.122 0.000 2.186 220 F HA -0.190 4.337 4.527 0.000 0.000 0.299 220 F C 2.611 178.435 175.800 0.040 0.000 1.090 220 F CA 1.165 59.212 58.000 0.078 0.000 1.307 220 F CB -1.098 37.951 39.000 0.082 0.000 1.019 220 F HN 0.198 nan 8.300 nan 0.000 0.489 221 C N -0.339 119.073 119.300 0.187 0.000 2.435 221 C HA -0.075 4.385 4.460 0.000 0.000 0.279 221 C C 3.095 178.048 174.990 -0.062 0.000 1.321 221 C CA 0.925 59.925 59.018 -0.030 0.000 1.752 221 C CB -1.548 26.027 27.740 -0.274 0.000 1.959 221 C HN 0.496 nan 8.230 nan 0.000 0.500 222 A N 0.257 123.057 122.820 -0.034 0.000 1.898 222 A HA -0.213 4.107 4.320 0.000 0.000 0.216 222 A C 2.166 179.745 177.584 -0.008 0.000 1.181 222 A CA 1.783 53.744 52.037 -0.128 0.000 0.620 222 A CB -0.665 18.324 19.000 -0.018 0.000 0.819 222 A HN 0.699 nan 8.150 nan 0.000 0.442 223 E N 0.015 120.283 120.200 0.113 0.000 2.077 223 E HA -0.161 4.189 4.350 0.000 0.000 0.193 223 E C 2.148 178.818 176.600 0.117 0.000 0.989 223 E CA 1.131 57.626 56.400 0.158 0.000 0.800 223 E CB -0.256 29.532 29.700 0.147 0.000 0.746 223 E HN 0.520 nan 8.360 nan 0.000 0.452 224 A N 1.359 124.238 122.820 0.097 0.000 1.877 224 A HA -0.180 4.140 4.320 0.000 0.000 0.216 224 A C 2.245 179.909 177.584 0.133 0.000 1.186 224 A CA 1.757 53.863 52.037 0.115 0.000 0.620 224 A CB -0.834 18.250 19.000 0.138 0.000 0.822 224 A HN 0.415 nan 8.150 nan 0.000 0.443 225 L N -3.103 118.132 121.223 0.019 0.000 2.093 225 L HA -0.072 4.268 4.340 0.000 0.000 0.208 225 L C 2.206 179.080 176.870 0.007 0.000 1.085 225 L CA 1.857 56.686 54.840 -0.018 0.000 0.755 225 L CB -1.198 40.788 42.059 -0.121 0.000 0.904 225 L HN 0.267 nan 8.230 nan 0.000 0.435 226 Y N 0.617 120.963 120.300 0.077 0.000 2.352 226 Y HA -0.087 4.463 4.550 0.000 0.000 0.292 226 Y C 2.735 178.670 175.900 0.058 0.000 1.136 226 Y CA 1.374 59.507 58.100 0.055 0.000 1.227 226 Y CB -0.558 37.921 38.460 0.031 0.000 0.991 226 Y HN 0.345 nan 8.280 nan 0.000 0.545 227 K N 0.045 120.567 120.400 0.204 0.000 2.062 227 K HA -0.077 4.243 4.320 0.000 0.000 0.205 227 K C 2.266 179.008 176.600 0.237 0.000 1.051 227 K CA 0.993 57.354 56.287 0.124 0.000 0.941 227 K CB -0.163 32.283 32.500 -0.089 0.000 0.719 227 K HN 0.191 nan 8.250 nan 0.000 0.440 228 A N 1.125 124.145 122.820 0.333 0.000 1.930 228 A HA -0.205 4.115 4.320 0.000 0.000 0.217 228 A C 2.065 179.741 177.584 0.154 0.000 1.175 228 A CA 1.490 53.696 52.037 0.282 0.000 0.627 228 A CB -0.549 18.562 19.000 0.184 0.000 0.815 228 A HN 0.538 nan 8.150 nan 0.000 0.443 229 Q N -0.538 119.348 119.800 0.143 0.000 2.084 229 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 229 Q C 2.127 178.189 176.000 0.104 0.000 0.978 229 Q CA 1.516 57.387 55.803 0.113 0.000 0.844 229 Q CB -0.315 28.510 28.738 0.146 0.000 0.898 229 Q HN 0.602 nan 8.270 nan 0.000 0.426 230 A N 0.533 123.425 122.820 0.120 0.000 1.969 230 A HA -0.196 4.124 4.320 0.000 0.000 0.218 230 A C 1.845 179.476 177.584 0.078 0.000 1.169 230 A CA 1.452 53.541 52.037 0.087 0.000 0.635 230 A CB -0.503 18.544 19.000 0.078 0.000 0.810 230 A HN 0.598 nan 8.150 nan 0.000 0.445 231 E N -0.269 119.993 120.200 0.104 0.000 2.072 231 E HA -0.150 4.200 4.350 0.000 0.000 0.190 231 E C 2.015 178.656 176.600 0.067 0.000 0.982 231 E CA 1.710 58.169 56.400 0.098 0.000 0.803 231 E CB -0.043 29.752 29.700 0.158 0.000 0.755 231 E HN 0.716 nan 8.360 nan 0.000 0.453 232 T N -3.869 110.720 114.554 0.059 0.000 3.044 232 T HA 0.233 4.583 4.350 0.000 0.000 0.255 232 T C 1.537 176.253 174.700 0.026 0.000 1.073 232 T CA 0.678 62.797 62.100 0.032 0.000 1.125 232 T CB 0.502 69.380 68.868 0.016 0.000 0.908 232 T HN 0.320 nan 8.240 nan 0.000 0.480 233 G N 1.091 109.911 108.800 0.033 0.000 2.141 233 G HA2 -0.182 3.778 3.960 0.000 0.000 0.242 233 G HA3 -0.182 3.778 3.960 0.000 0.000 0.242 233 G C -0.309 174.602 174.900 0.018 0.000 0.982 233 G CA 0.066 45.182 45.100 0.027 0.000 0.662 233 G HN 0.671 nan 8.290 nan 0.000 0.527 234 E N -0.419 119.788 120.200 0.013 0.000 2.238 234 E HA 0.569 4.919 4.350 0.000 0.000 0.267 234 E C 0.345 176.943 176.600 -0.003 0.000 0.887 234 E CA -1.090 55.306 56.400 -0.007 0.000 0.769 234 E CB 1.839 31.521 29.700 -0.031 0.000 1.187 234 E HN 0.289 nan 8.360 nan 0.000 0.416 235 I N 3.149 123.712 120.570 -0.012 0.000 2.710 235 I HA -0.014 4.156 4.170 0.000 0.000 0.286 235 I C 0.370 176.473 176.117 -0.024 0.000 1.181 235 I CA 0.502 61.805 61.300 0.005 0.000 1.430 235 I CB 0.071 38.073 38.000 0.003 0.000 1.367 235 I HN 0.182 nan 8.210 nan 0.000 0.577 236 K N 4.449 124.858 120.400 0.015 0.000 2.340 236 K HA 0.794 5.114 4.320 0.000 0.000 0.244 236 K C -0.281 176.370 176.600 0.085 0.000 0.973 236 K CA -0.728 55.566 56.287 0.011 0.000 0.828 236 K CB 2.251 34.765 32.500 0.023 0.000 1.226 236 K HN 0.789 nan 8.250 nan 0.000 0.437 237 G N 0.214 109.133 108.800 0.199 0.000 2.704 237 G HA2 0.384 4.344 3.960 0.000 0.000 0.293 237 G HA3 0.384 4.344 3.960 0.000 0.000 0.293 237 G C -1.911 173.174 174.900 0.309 0.000 1.421 237 G CA -0.288 44.989 45.100 0.296 0.000 0.870 237 G HN 0.554 nan 8.290 nan 0.000 0.492 238 H N 0.827 119.959 119.070 0.104 0.000 2.840 238 H HA 0.319 4.875 4.556 0.000 0.000 0.340 238 H C -1.077 174.281 175.328 0.050 0.000 1.004 238 H CA -0.573 55.483 56.048 0.012 0.000 1.288 238 H CB 1.272 31.020 29.762 -0.023 0.000 1.607 238 H HN 0.358 nan 8.280 nan 0.000 0.522 239 Y N 5.616 125.593 120.300 -0.538 0.000 2.697 239 Y HA 0.086 4.636 4.550 0.000 0.000 0.349 239 Y C 0.665 176.393 175.900 -0.286 0.000 1.120 239 Y CA -0.530 57.342 58.100 -0.379 0.000 1.468 239 Y CB -0.526 37.700 38.460 -0.391 0.000 1.182 239 Y HN 0.356 nan 8.280 nan 0.000 0.525 240 L N 4.066 125.251 121.223 -0.064 0.000 2.313 240 L HA 0.207 4.547 4.340 0.000 0.000 0.282 240 L C 0.693 177.521 176.870 -0.070 0.000 1.092 240 L CA -0.072 54.608 54.840 -0.267 0.000 0.831 240 L CB 0.461 41.958 42.059 -0.937 0.000 1.159 240 L HN 0.617 nan 8.230 nan 0.000 0.442 241 N N 2.000 120.771 118.700 0.119 0.000 2.420 241 N HA 0.202 4.943 4.740 0.000 0.000 0.262 241 N C 0.538 176.205 175.510 0.263 0.000 1.144 241 N CA -0.109 53.057 53.050 0.194 0.000 0.952 241 N CB 1.093 39.689 38.487 0.181 0.000 1.081 241 N HN 0.779 nan 8.380 nan 0.000 0.480 242 A N 2.778 125.704 122.820 0.175 0.000 2.308 242 A HA 0.092 4.412 4.320 0.000 0.000 0.217 242 A C 0.639 178.253 177.584 0.051 0.000 1.216 242 A CA -0.084 51.998 52.037 0.075 0.000 0.864 242 A CB 0.072 19.085 19.000 0.022 0.000 0.902 242 A HN 0.596 nan 8.150 nan 0.000 0.499 243 T N 1.748 116.394 114.554 0.153 0.000 2.908 243 T HA 0.445 4.795 4.350 0.000 0.000 0.301 243 T C 0.276 174.985 174.700 0.015 0.000 1.019 243 T CA 0.952 63.144 62.100 0.154 0.000 1.152 243 T CB 0.720 69.613 68.868 0.042 0.000 0.966 243 T HN 0.757 nan 8.240 nan 0.000 0.540 244 A N 2.291 125.113 122.820 0.004 0.000 2.529 244 A HA 0.807 5.127 4.320 0.000 0.000 0.296 244 A C 1.292 178.855 177.584 -0.035 0.000 1.205 244 A CA -0.257 51.745 52.037 -0.060 0.000 0.671 244 A CB 0.459 19.374 19.000 -0.141 0.000 1.301 244 A HN 0.759 nan 8.150 nan 0.000 0.450 245 G N -0.886 107.888 108.800 -0.045 0.000 2.464 245 G HA2 0.360 4.320 3.960 0.000 0.000 0.217 245 G HA3 0.360 4.320 3.960 0.000 0.000 0.217 245 G C 0.667 175.550 174.900 -0.028 0.000 1.138 245 G CA 1.780 46.862 45.100 -0.030 0.000 0.793 245 G HN 1.604 nan 8.290 nan 0.000 0.539 246 T N -4.191 110.339 114.554 -0.040 0.000 2.883 246 T HA 0.300 4.650 4.350 0.000 0.000 0.296 246 T C 0.925 175.592 174.700 -0.055 0.000 1.117 246 T CA -0.241 61.836 62.100 -0.039 0.000 1.006 246 T CB 1.397 70.242 68.868 -0.038 0.000 1.191 246 T HN -0.078 nan 8.240 nan 0.000 0.508 247 C N 0.585 119.854 119.300 -0.051 0.000 2.425 247 C HA -0.011 4.449 4.460 0.000 0.000 0.277 247 C C 2.623 177.556 174.990 -0.094 0.000 1.280 247 C CA 0.837 59.812 59.018 -0.073 0.000 1.744 247 C CB -1.370 26.336 27.740 -0.057 0.000 1.989 247 C HN 1.020 nan 8.230 nan 0.000 0.491 248 E N 1.426 121.581 120.200 -0.075 0.000 2.038 248 E HA -0.173 4.177 4.350 0.000 0.000 0.195 248 E C 1.676 178.212 176.600 -0.106 0.000 1.000 248 E CA 1.552 57.906 56.400 -0.077 0.000 0.803 248 E CB -0.328 29.342 29.700 -0.049 0.000 0.750 248 E HN 0.535 nan 8.360 nan 0.000 0.448 249 D N -0.205 120.129 120.400 -0.110 0.000 2.117 249 D HA -0.148 4.492 4.640 0.000 0.000 0.197 249 D C 1.837 177.982 176.300 -0.259 0.000 0.987 249 D CA 0.839 54.742 54.000 -0.162 0.000 0.829 249 D CB -0.222 40.493 40.800 -0.141 0.000 0.961 249 D HN 0.147 nan 8.370 nan 0.000 0.460 250 M N -0.365 119.110 119.600 -0.208 0.000 2.080 250 M HA -0.192 4.288 4.480 0.000 0.000 0.260 250 M C 1.734 177.872 176.300 -0.271 0.000 1.068 250 M CA 1.317 56.481 55.300 -0.226 0.000 1.109 250 M CB 0.024 32.521 32.600 -0.171 0.000 1.342 250 M HN -0.070 nan 8.290 nan 0.000 0.405 251 M N 0.317 119.765 119.600 -0.252 0.000 2.159 251 M HA -0.178 4.302 4.480 0.000 0.000 0.263 251 M C 1.909 178.046 176.300 -0.270 0.000 1.063 251 M CA 1.683 56.797 55.300 -0.310 0.000 1.110 251 M CB -1.122 31.326 32.600 -0.253 0.000 1.374 251 M HN 0.313 nan 8.290 nan 0.000 0.411 252 K N -0.204 120.073 120.400 -0.205 0.000 2.103 252 K HA -0.148 4.173 4.320 0.000 0.000 0.207 252 K C 2.116 178.629 176.600 -0.145 0.000 1.048 252 K CA 1.212 57.433 56.287 -0.110 0.000 0.930 252 K CB -0.121 32.350 32.500 -0.048 0.000 0.716 252 K HN 0.378 nan 8.250 nan 0.000 0.444 253 R N 0.271 120.493 120.500 -0.463 0.000 2.075 253 R HA -0.041 4.299 4.340 0.000 0.000 0.232 253 R C 2.431 178.776 176.300 0.075 0.000 1.126 253 R CA 1.115 56.901 56.100 -0.525 0.000 0.963 253 R CB -0.344 29.487 30.300 -0.782 0.000 0.858 253 R HN 0.156 nan 8.270 nan 0.000 0.435 254 A N 0.970 123.751 122.820 -0.065 0.000 1.902 254 A HA -0.117 4.203 4.320 0.000 0.000 0.217 254 A C 2.387 180.026 177.584 0.091 0.000 1.181 254 A CA 1.427 53.450 52.037 -0.023 0.000 0.623 254 A CB -0.598 18.198 19.000 -0.341 0.000 0.818 254 A HN 0.104 nan 8.150 nan 0.000 0.443 255 V N -1.225 118.685 119.914 -0.006 0.000 2.287 255 V HA -0.239 3.882 4.120 0.000 0.000 0.248 255 V C 2.296 178.586 176.094 0.326 0.000 1.053 255 V CA 2.166 64.570 62.300 0.174 0.000 1.027 255 V CB -0.941 30.947 31.823 0.107 0.000 0.646 255 V HN 0.604 nan 8.190 nan 0.000 0.447 256 F N 1.433 121.526 119.950 0.239 0.000 2.186 256 F HA -0.063 4.465 4.527 0.000 0.000 0.299 256 F C 2.278 178.291 175.800 0.357 0.000 1.090 256 F CA 0.916 59.109 58.000 0.321 0.000 1.307 256 F CB -0.775 38.500 39.000 0.460 0.000 1.019 256 F HN 0.081 nan 8.300 nan 0.000 0.489 257 A N 0.642 123.659 122.820 0.328 0.000 1.908 257 A HA -0.205 4.115 4.320 0.000 0.000 0.218 257 A C 2.481 180.103 177.584 0.063 0.000 1.181 257 A CA 1.536 53.651 52.037 0.131 0.000 0.627 257 A CB -0.772 18.316 19.000 0.148 0.000 0.818 257 A HN 0.303 nan 8.150 nan 0.000 0.445 258 R N 0.001 120.592 120.500 0.151 0.000 2.083 258 R HA -0.179 4.161 4.340 0.000 0.000 0.237 258 R C 2.140 178.489 176.300 0.082 0.000 1.137 258 R CA 2.000 58.183 56.100 0.138 0.000 0.951 258 R CB -0.579 29.860 30.300 0.231 0.000 0.851 258 R HN 0.793 nan 8.270 nan 0.000 0.434 259 E N 0.259 120.508 120.200 0.081 0.000 2.118 259 E HA -0.174 4.176 4.350 0.000 0.000 0.195 259 E C 1.963 178.543 176.600 -0.032 0.000 0.992 259 E CA 1.049 57.481 56.400 0.053 0.000 0.804 259 E CB -0.066 29.720 29.700 0.145 0.000 0.741 259 E HN 0.345 nan 8.360 nan 0.000 0.458 260 L N -0.568 120.569 121.223 -0.143 0.000 2.478 260 L HA 0.092 4.432 4.340 0.000 0.000 0.223 260 L C 1.613 178.532 176.870 0.081 0.000 1.140 260 L CA 0.509 55.292 54.840 -0.094 0.000 0.842 260 L CB -0.059 41.869 42.059 -0.217 0.000 0.953 260 L HN 0.426 nan 8.230 nan 0.000 0.452 261 G N 0.609 109.449 108.800 0.066 0.000 2.153 261 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 261 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 261 G C 0.413 175.404 174.900 0.151 0.000 0.994 261 G CA 0.312 45.478 45.100 0.109 0.000 0.698 261 G HN 0.280 nan 8.290 nan 0.000 0.521 262 V N -2.081 117.885 119.914 0.087 0.000 2.881 262 V HA 0.683 4.803 4.120 0.000 0.000 0.303 262 V C -0.035 176.072 176.094 0.022 0.000 1.070 262 V CA -0.816 61.496 62.300 0.019 0.000 1.074 262 V CB 1.226 33.002 31.823 -0.078 0.000 1.012 262 V HN 0.080 nan 8.190 nan 0.000 0.482 263 P HA 0.308 nan 4.420 nan 0.000 0.245 263 P C 0.039 177.319 177.300 -0.033 0.000 1.203 263 P CA 0.580 63.683 63.100 0.005 0.000 0.792 263 P CB 0.514 32.239 31.700 0.042 0.000 0.997 264 I N -0.090 120.462 120.570 -0.031 0.000 2.775 264 I HA 0.332 4.502 4.170 0.000 0.000 0.295 264 I C -1.149 174.918 176.117 -0.083 0.000 1.287 264 I CA -1.284 59.954 61.300 -0.102 0.000 1.029 264 I CB 2.506 40.389 38.000 -0.195 0.000 1.282 264 I HN -0.287 nan 8.210 nan 0.000 0.426 265 V N 4.362 124.215 119.914 -0.102 0.000 3.164 265 V HA 0.751 4.871 4.120 0.000 0.000 0.313 265 V C -0.549 175.509 176.094 -0.060 0.000 1.188 265 V CA -0.761 61.507 62.300 -0.054 0.000 1.058 265 V CB 1.879 33.705 31.823 0.005 0.000 1.110 265 V HN 0.922 nan 8.190 nan 0.000 0.453 266 M N 0.830 120.452 119.600 0.036 0.000 2.618 266 M HA 0.823 5.303 4.480 0.000 0.000 0.281 266 M C -1.355 175.054 176.300 0.182 0.000 1.267 266 M CA -0.480 54.881 55.300 0.101 0.000 0.845 266 M CB 2.334 35.065 32.600 0.218 0.000 1.732 266 M HN 1.036 nan 8.290 nan 0.000 0.461 267 H N -0.720 118.382 119.070 0.052 0.000 3.046 267 H HA 0.456 5.012 4.556 0.000 0.000 0.363 267 H C -2.071 173.306 175.328 0.083 0.000 1.203 267 H CA -0.414 55.660 56.048 0.042 0.000 1.169 267 H CB 2.175 31.939 29.762 0.003 0.000 1.851 267 H HN 0.818 nan 8.280 nan 0.000 0.546 268 D N 3.981 124.087 120.400 -0.489 0.000 2.456 268 D HA 0.004 4.644 4.640 0.000 0.000 0.219 268 D C 0.490 176.481 176.300 -0.515 0.000 1.126 268 D CA -0.116 53.705 54.000 -0.298 0.000 0.890 268 D CB 0.414 41.094 40.800 -0.199 0.000 1.025 268 D HN 0.612 nan 8.370 nan 0.000 0.511 269 Y N 2.067 122.114 120.300 -0.422 0.000 2.333 269 Y HA -0.077 4.473 4.550 0.000 0.000 0.290 269 Y C 1.384 176.996 175.900 -0.480 0.000 1.144 269 Y CA 0.869 58.736 58.100 -0.387 0.000 1.228 269 Y CB -0.316 37.983 38.460 -0.269 0.000 0.985 269 Y HN 0.275 nan 8.280 nan 0.000 0.542 270 L N 0.241 120.973 121.223 -0.819 0.000 2.168 270 L HA -0.036 4.304 4.340 0.000 0.000 0.203 270 L C 2.611 179.255 176.870 -0.378 0.000 1.078 270 L CA 1.394 55.801 54.840 -0.721 0.000 0.780 270 L CB -0.774 40.873 42.059 -0.687 0.000 0.939 270 L HN 0.375 nan 8.230 nan 0.000 0.451 271 T N -3.097 111.283 114.554 -0.289 0.000 2.942 271 T HA -0.021 4.329 4.350 0.000 0.000 0.265 271 T C 1.881 176.484 174.700 -0.161 0.000 1.062 271 T CA 0.879 62.870 62.100 -0.182 0.000 1.139 271 T CB -0.583 68.206 68.868 -0.132 0.000 0.883 271 T HN 0.328 nan 8.240 nan 0.000 0.468 272 G N 1.400 110.067 108.800 -0.222 0.000 2.396 272 G HA2 0.432 4.392 3.960 0.000 0.000 0.214 272 G HA3 0.432 4.392 3.960 0.000 0.000 0.214 272 G C 0.835 175.709 174.900 -0.044 0.000 1.166 272 G CA 0.228 45.261 45.100 -0.112 0.000 0.793 272 G HN 1.214 nan 8.290 nan 0.000 0.533 273 G N -1.991 106.729 108.800 -0.134 0.000 2.539 273 G HA2 0.002 3.963 3.960 0.000 0.000 0.686 273 G HA3 0.002 3.963 3.960 0.000 0.000 0.686 273 G C 0.086 174.931 174.900 -0.091 0.000 1.258 273 G CA -0.193 44.831 45.100 -0.127 0.000 0.846 273 G HN 0.060 nan 8.290 nan 0.000 0.647 274 F N 0.676 120.670 119.950 0.074 0.000 2.146 274 F HA 0.001 4.528 4.527 0.000 0.000 0.298 274 F C 3.139 178.960 175.800 0.034 0.000 1.096 274 F CA 2.325 60.366 58.000 0.069 0.000 1.275 274 F CB -0.628 38.378 39.000 0.010 0.000 1.008 274 F HN 0.560 nan 8.300 nan 0.000 0.480 275 T N -0.159 114.504 114.554 0.182 0.000 2.684 275 T HA -0.227 4.123 4.350 0.000 0.000 0.267 275 T C 2.275 176.993 174.700 0.029 0.000 1.036 275 T CA 1.553 63.705 62.100 0.088 0.000 1.148 275 T CB -0.692 68.215 68.868 0.064 0.000 0.863 275 T HN 0.289 nan 8.240 nan 0.000 0.436 276 A N 1.736 124.575 122.820 0.032 0.000 1.929 276 A HA -0.075 4.245 4.320 0.000 0.000 0.216 276 A C 2.270 179.797 177.584 -0.096 0.000 1.176 276 A CA 1.346 53.366 52.037 -0.028 0.000 0.628 276 A CB -0.708 18.301 19.000 0.015 0.000 0.816 276 A HN 0.523 nan 8.150 nan 0.000 0.444 277 N N -0.185 118.536 118.700 0.034 0.000 2.120 277 N HA -0.150 4.590 4.740 0.000 0.000 0.188 277 N C 1.586 177.060 175.510 -0.059 0.000 1.024 277 N CA 2.086 55.149 53.050 0.022 0.000 0.852 277 N CB -0.163 38.458 38.487 0.224 0.000 1.003 277 N HN 0.426 nan 8.380 nan 0.000 0.424 278 T N -0.177 114.350 114.554 -0.045 0.000 2.746 278 T HA -0.079 4.271 4.350 0.000 0.000 0.267 278 T C 1.865 176.295 174.700 -0.450 0.000 1.039 278 T CA 1.610 63.584 62.100 -0.211 0.000 1.142 278 T CB -0.652 68.137 68.868 -0.132 0.000 0.866 278 T HN 0.295 nan 8.240 nan 0.000 0.444 279 T N 2.222 116.617 114.554 -0.265 0.000 2.720 279 T HA -0.061 4.289 4.350 0.000 0.000 0.268 279 T C 1.862 176.482 174.700 -0.134 0.000 1.037 279 T CA 0.941 62.923 62.100 -0.196 0.000 1.144 279 T CB -0.442 68.359 68.868 -0.112 0.000 0.864 279 T HN 0.113 nan 8.240 nan 0.000 0.444 280 L N 0.894 122.015 121.223 -0.169 0.000 2.093 280 L HA 0.067 4.407 4.340 0.000 0.000 0.208 280 L C 2.614 179.478 176.870 -0.010 0.000 1.085 280 L CA 1.682 56.453 54.840 -0.116 0.000 0.755 280 L CB -0.984 40.899 42.059 -0.294 0.000 0.904 280 L HN 0.183 nan 8.230 nan 0.000 0.435 281 S N -1.382 114.280 115.700 -0.063 0.000 2.370 281 S HA -0.248 4.222 4.470 0.000 0.000 0.226 281 S C 2.082 176.764 174.600 0.136 0.000 1.033 281 S CA 1.448 59.653 58.200 0.008 0.000 1.011 281 S CB -0.397 62.793 63.200 -0.015 0.000 0.852 281 S HN 0.666 nan 8.310 nan 0.000 0.457 282 H N -0.662 118.417 119.070 0.015 0.000 2.326 282 H HA -0.010 4.547 4.556 0.000 0.000 0.301 282 H C 1.806 177.146 175.328 0.021 0.000 1.081 282 H CA 1.600 57.651 56.048 0.005 0.000 1.334 282 H CB -1.202 28.568 29.762 0.014 0.000 1.385 282 H HN 0.633 nan 8.280 nan 0.000 0.504 283 Y N 0.749 121.103 120.300 0.089 0.000 2.165 283 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 283 Y C 2.506 178.432 175.900 0.044 0.000 1.155 283 Y CA 1.440 59.568 58.100 0.046 0.000 1.164 283 Y CB -0.614 37.851 38.460 0.010 0.000 0.978 283 Y HN 0.157 nan 8.280 nan 0.000 0.513 284 C N 0.054 119.429 119.300 0.126 0.000 2.425 284 C HA -0.125 4.335 4.460 0.000 0.000 0.277 284 C C 2.736 177.746 174.990 0.035 0.000 1.280 284 C CA 1.353 60.420 59.018 0.082 0.000 1.744 284 C CB -1.203 26.610 27.740 0.122 0.000 1.989 284 C HN 0.563 nan 8.230 nan 0.000 0.491 285 R N 1.885 122.364 120.500 -0.035 0.000 2.066 285 R HA -0.085 4.255 4.340 0.000 0.000 0.232 285 R C 1.518 177.764 176.300 -0.090 0.000 1.131 285 R CA 1.962 57.983 56.100 -0.131 0.000 0.955 285 R CB -0.971 29.251 30.300 -0.130 0.000 0.851 285 R HN 0.399 nan 8.270 nan 0.000 0.432 286 D N -0.131 120.195 120.400 -0.123 0.000 2.263 286 D HA -0.078 4.562 4.640 0.000 0.000 0.208 286 D C 0.395 176.572 176.300 -0.206 0.000 0.971 286 D CA 0.982 54.886 54.000 -0.160 0.000 0.867 286 D CB -0.031 40.657 40.800 -0.187 0.000 0.929 286 D HN 0.353 nan 8.370 nan 0.000 0.492 287 N N -0.764 117.778 118.700 -0.263 0.000 2.238 287 N HA 0.139 4.879 4.740 0.000 0.000 0.235 287 N C 0.708 176.178 175.510 -0.067 0.000 1.209 287 N CA 0.290 53.206 53.050 -0.224 0.000 0.879 287 N CB 1.751 39.967 38.487 -0.451 0.000 1.136 287 N HN 0.051 nan 8.380 nan 0.000 0.517 288 G N 1.601 110.425 108.800 0.039 0.000 2.249 288 G HA2 -0.274 3.686 3.960 0.000 0.000 0.273 288 G HA3 -0.274 3.686 3.960 0.000 0.000 0.273 288 G C -0.155 174.716 174.900 -0.048 0.000 1.036 288 G CA 0.226 45.369 45.100 0.072 0.000 0.824 288 G HN 0.263 nan 8.290 nan 0.000 0.504 289 L N -0.217 121.040 121.223 0.057 0.000 2.295 289 L HA 0.565 4.905 4.340 0.000 0.000 0.285 289 L C 1.023 177.900 176.870 0.011 0.000 1.035 289 L CA -1.073 53.769 54.840 0.005 0.000 0.806 289 L CB 1.413 43.513 42.059 0.068 0.000 1.214 289 L HN 0.051 nan 8.230 nan 0.000 0.426 290 L N 3.829 124.983 121.223 -0.116 0.000 2.397 290 L HA 0.201 4.541 4.340 0.000 0.000 0.271 290 L C -0.375 176.402 176.870 -0.157 0.000 1.148 290 L CA -0.274 54.490 54.840 -0.127 0.000 0.825 290 L CB 0.943 42.867 42.059 -0.225 0.000 1.117 290 L HN 0.381 nan 8.230 nan 0.000 0.456 291 L N 3.720 124.847 121.223 -0.160 0.000 2.295 291 L HA 0.319 4.660 4.340 0.000 0.000 0.281 291 L C -0.431 176.243 176.870 -0.327 0.000 1.018 291 L CA -0.235 54.497 54.840 -0.180 0.000 0.841 291 L CB 0.787 42.799 42.059 -0.079 0.000 1.218 291 L HN 0.455 nan 8.230 nan 0.000 0.424 292 H N 5.445 124.199 119.070 -0.527 0.000 2.620 292 H HA 0.510 5.066 4.556 0.000 0.000 0.313 292 H C -0.802 174.412 175.328 -0.191 0.000 1.075 292 H CA -0.482 55.222 56.048 -0.574 0.000 1.397 292 H CB 0.654 29.773 29.762 -1.072 0.000 1.446 292 H HN 0.503 nan 8.280 nan 0.000 0.493 293 I N 5.893 126.102 120.570 -0.602 0.000 2.354 293 I HA 0.129 4.299 4.170 0.000 0.000 0.292 293 I C 0.212 176.192 176.117 -0.228 0.000 0.989 293 I CA -0.373 60.745 61.300 -0.303 0.000 1.188 293 I CB 0.991 38.817 38.000 -0.289 0.000 1.342 293 I HN 0.742 nan 8.210 nan 0.000 0.457 294 H N 7.386 126.419 119.070 -0.062 0.000 2.479 294 H HA 0.381 4.937 4.556 0.000 0.000 0.335 294 H C 0.036 175.381 175.328 0.027 0.000 1.142 294 H CA -0.615 55.395 56.048 -0.063 0.000 1.234 294 H CB 1.677 31.374 29.762 -0.107 0.000 1.503 294 H HN 0.602 nan 8.280 nan 0.000 0.510 295 R N 2.866 122.950 120.500 -0.693 0.000 2.831 295 R HA 0.444 4.784 4.340 0.000 0.000 0.337 295 R C -0.192 175.935 176.300 -0.288 0.000 1.200 295 R CA -0.581 55.342 56.100 -0.294 0.000 1.088 295 R CB 0.014 30.201 30.300 -0.189 0.000 1.397 295 R HN 0.359 nan 8.270 nan 0.000 0.581 296 A N 1.554 124.243 122.820 -0.219 0.000 2.567 296 A HA 0.098 4.418 4.320 0.000 0.000 0.240 296 A C 0.954 178.501 177.584 -0.062 0.000 1.053 296 A CA 0.711 52.756 52.037 0.013 0.000 0.755 296 A CB -0.076 19.005 19.000 0.134 0.000 0.978 296 A HN 0.896 nan 8.150 nan 0.000 0.507 297 M N 0.495 120.064 119.600 -0.052 0.000 3.007 297 M HA -0.290 4.190 4.480 0.000 0.000 0.210 297 M C 0.988 177.215 176.300 -0.122 0.000 0.585 297 M CA 1.839 57.077 55.300 -0.103 0.000 0.804 297 M CB -2.071 30.459 32.600 -0.116 0.000 2.870 297 M HN 1.262 nan 8.290 nan 0.000 0.297 298 H N -0.683 118.290 119.070 -0.161 0.000 2.352 298 H HA 0.237 4.793 4.556 0.000 0.000 0.299 298 H C 1.743 177.008 175.328 -0.106 0.000 1.097 298 H CA 2.011 57.987 56.048 -0.120 0.000 1.311 298 H CB -0.557 29.148 29.762 -0.095 0.000 1.377 298 H HN 0.486 nan 8.280 nan 0.000 0.504 299 A N 1.120 123.327 122.820 -1.021 0.000 2.121 299 A HA -0.026 4.294 4.320 0.000 0.000 0.218 299 A C 2.445 179.855 177.584 -0.291 0.000 1.154 299 A CA 1.169 52.820 52.037 -0.642 0.000 0.679 299 A CB -0.743 17.879 19.000 -0.631 0.000 0.795 299 A HN 0.379 nan 8.150 nan 0.000 0.458 300 V N -0.491 119.286 119.914 -0.229 0.000 2.626 300 V HA -0.191 3.929 4.120 0.000 0.000 0.252 300 V C 2.169 178.206 176.094 -0.095 0.000 1.067 300 V CA 1.914 64.134 62.300 -0.133 0.000 1.081 300 V CB -0.421 31.336 31.823 -0.111 0.000 0.686 300 V HN 0.611 nan 8.190 nan 0.000 0.468 301 I N 0.515 121.023 120.570 -0.104 0.000 2.810 301 I HA -0.008 4.162 4.170 0.000 0.000 0.262 301 I C 1.734 177.822 176.117 -0.049 0.000 1.131 301 I CA 1.006 62.263 61.300 -0.072 0.000 1.453 301 I CB -0.066 37.886 38.000 -0.081 0.000 1.161 301 I HN 0.428 nan 8.210 nan 0.000 0.444 302 D N -0.142 120.224 120.400 -0.056 0.000 2.363 302 D HA -0.049 4.591 4.640 0.000 0.000 0.214 302 D C 1.808 178.073 176.300 -0.059 0.000 1.093 302 D CA 0.019 53.993 54.000 -0.044 0.000 0.837 302 D CB 0.006 40.807 40.800 0.002 0.000 0.948 302 D HN -0.023 nan 8.370 nan 0.000 0.507 303 R N 0.301 120.761 120.500 -0.067 0.000 2.062 303 R HA 0.012 4.352 4.340 0.000 0.000 0.229 303 R C 0.496 176.802 176.300 0.010 0.000 1.128 303 R CA 1.139 57.211 56.100 -0.048 0.000 0.960 303 R CB -0.156 30.099 30.300 -0.075 0.000 0.855 303 R HN 0.059 nan 8.270 nan 0.000 0.432 304 Q N 0.691 120.511 119.800 0.033 0.000 2.288 304 Q HA 0.035 4.375 4.340 0.000 0.000 0.254 304 Q C 0.250 176.308 176.000 0.096 0.000 0.932 304 Q CA 0.051 55.894 55.803 0.065 0.000 0.902 304 Q CB 1.553 30.335 28.738 0.073 0.000 1.203 304 Q HN 0.121 nan 8.270 nan 0.000 0.415 305 K N 2.560 123.021 120.400 0.100 0.000 2.211 305 K HA -0.148 4.172 4.320 0.000 0.000 0.203 305 K C 1.328 177.997 176.600 0.114 0.000 1.050 305 K CA 1.552 57.909 56.287 0.117 0.000 0.945 305 K CB 0.276 32.838 32.500 0.103 0.000 0.732 305 K HN 0.612 nan 8.250 nan 0.000 0.451 306 N N -0.959 117.810 118.700 0.115 0.000 2.395 306 N HA -0.117 4.623 4.740 0.000 0.000 0.175 306 N C -0.105 175.518 175.510 0.188 0.000 1.029 306 N CA 0.805 53.930 53.050 0.125 0.000 0.897 306 N CB -0.019 38.533 38.487 0.108 0.000 0.991 306 N HN 0.273 nan 8.380 nan 0.000 0.441 307 H N -1.310 117.820 119.070 0.099 0.000 2.894 307 H HA 0.576 5.132 4.556 0.000 0.000 0.367 307 H C 0.174 175.596 175.328 0.157 0.000 1.144 307 H CA 0.380 56.517 56.048 0.149 0.000 1.180 307 H CB 1.713 31.549 29.762 0.124 0.000 1.758 307 H HN 0.359 nan 8.280 nan 0.000 0.541 308 G N 2.216 110.967 108.800 -0.081 0.000 2.301 308 G HA2 -0.031 3.929 3.960 0.000 0.000 0.194 308 G HA3 -0.031 3.929 3.960 0.000 0.000 0.194 308 G C -1.427 173.480 174.900 0.011 0.000 1.266 308 G CA -0.344 44.744 45.100 -0.020 0.000 1.210 308 G HN 0.658 nan 8.290 nan 0.000 0.524 309 M N 0.785 120.360 119.600 -0.042 0.000 2.324 309 M HA 0.366 4.846 4.480 0.000 0.000 0.288 309 M C -0.360 175.947 176.300 0.012 0.000 1.097 309 M CA -0.793 54.481 55.300 -0.043 0.000 0.928 309 M CB 2.355 34.841 32.600 -0.191 0.000 1.648 309 M HN 0.773 nan 8.290 nan 0.000 0.460 310 H N 2.022 121.093 119.070 0.002 0.000 2.790 310 H HA 0.061 4.617 4.556 0.000 0.000 0.358 310 H C 0.155 175.525 175.328 0.070 0.000 1.103 310 H CA 0.768 56.854 56.048 0.064 0.000 1.426 310 H CB 0.852 30.654 29.762 0.067 0.000 1.424 310 H HN 0.776 nan 8.280 nan 0.000 0.599 311 F N 4.949 124.602 119.950 -0.496 0.000 2.202 311 F HA -0.203 4.325 4.527 0.000 0.000 0.301 311 F C 2.587 178.319 175.800 -0.113 0.000 1.082 311 F CA 1.689 59.519 58.000 -0.284 0.000 1.313 311 F CB -0.143 38.565 39.000 -0.486 0.000 1.024 311 F HN 0.688 nan 8.300 nan 0.000 0.495 312 R N -0.472 120.107 120.500 0.131 0.000 2.152 312 R HA -0.109 4.231 4.340 0.000 0.000 0.232 312 R C 1.734 178.001 176.300 -0.056 0.000 1.117 312 R CA 1.822 57.932 56.100 0.018 0.000 0.981 312 R CB -1.322 29.158 30.300 0.300 0.000 0.870 312 R HN 0.295 nan 8.270 nan 0.000 0.451 313 V N 1.683 121.594 119.914 -0.004 0.000 2.407 313 V HA -0.123 3.997 4.120 0.000 0.000 0.245 313 V C 2.392 178.515 176.094 0.047 0.000 1.041 313 V CA 1.322 63.635 62.300 0.021 0.000 1.040 313 V CB -0.302 31.519 31.823 -0.003 0.000 0.671 313 V HN 0.281 nan 8.190 nan 0.000 0.455 314 L N 0.065 121.259 121.223 -0.047 0.000 2.141 314 L HA -0.084 4.256 4.340 0.000 0.000 0.209 314 L C 2.657 179.474 176.870 -0.090 0.000 1.094 314 L CA 1.329 56.229 54.840 0.100 0.000 0.763 314 L CB -0.734 41.386 42.059 0.101 0.000 0.908 314 L HN 0.360 nan 8.230 nan 0.000 0.437 315 A N 0.176 122.645 122.820 -0.585 0.000 1.897 315 A HA -0.157 4.164 4.320 0.000 0.000 0.215 315 A C 2.345 179.811 177.584 -0.198 0.000 1.181 315 A CA 1.232 52.940 52.037 -0.548 0.000 0.620 315 A CB -0.223 18.319 19.000 -0.763 0.000 0.821 315 A HN 0.247 nan 8.150 nan 0.000 0.443 316 K N -0.218 120.147 120.400 -0.059 0.000 2.057 316 K HA -0.061 4.259 4.320 0.000 0.000 0.207 316 K C 2.298 178.910 176.600 0.020 0.000 1.049 316 K CA 1.072 57.433 56.287 0.123 0.000 0.931 316 K CB -0.308 32.308 32.500 0.193 0.000 0.714 316 K HN 0.431 nan 8.250 nan 0.000 0.440 317 A N 1.847 124.649 122.820 -0.029 0.000 1.902 317 A HA -0.159 4.161 4.320 0.000 0.000 0.217 317 A C 2.037 179.549 177.584 -0.121 0.000 1.181 317 A CA 1.081 52.999 52.037 -0.199 0.000 0.623 317 A CB -0.552 18.287 19.000 -0.268 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.443 318 L N -0.323 120.888 121.223 -0.019 0.000 2.093 318 L HA -0.112 4.228 4.340 0.000 0.000 0.208 318 L C 2.439 179.185 176.870 -0.207 0.000 1.085 318 L CA 2.296 57.032 54.840 -0.175 0.000 0.755 318 L CB -0.864 40.822 42.059 -0.622 0.000 0.904 318 L HN 0.549 nan 8.230 nan 0.000 0.435 319 R N -0.398 119.965 120.500 -0.228 0.000 2.096 319 R HA -0.164 4.177 4.340 0.000 0.000 0.235 319 R C 2.385 178.551 176.300 -0.223 0.000 1.127 319 R CA 1.346 57.271 56.100 -0.292 0.000 0.968 319 R CB -0.086 29.901 30.300 -0.522 0.000 0.861 319 R HN 0.408 nan 8.270 nan 0.000 0.440 320 L N -0.655 120.435 121.223 -0.221 0.000 2.007 320 L HA -0.137 4.203 4.340 0.000 0.000 0.205 320 L C 2.626 179.430 176.870 -0.111 0.000 1.073 320 L CA 1.486 56.110 54.840 -0.360 0.000 0.744 320 L CB -0.695 40.802 42.059 -0.937 0.000 0.898 320 L HN 0.252 nan 8.230 nan 0.000 0.435 321 S N -0.787 114.876 115.700 -0.062 0.000 2.365 321 S HA -0.043 4.427 4.470 0.000 0.000 0.225 321 S C 0.846 175.488 174.600 0.071 0.000 1.039 321 S CA 1.244 59.508 58.200 0.107 0.000 1.033 321 S CB -0.343 62.979 63.200 0.202 0.000 0.887 321 S HN 0.646 nan 8.310 nan 0.000 0.447 322 G N -1.693 107.099 108.800 -0.014 0.000 2.957 322 G HA2 0.435 4.395 3.960 0.000 0.000 0.636 322 G HA3 0.435 4.395 3.960 0.000 0.000 0.636 322 G C -0.344 174.504 174.900 -0.087 0.000 1.401 322 G CA -0.429 44.648 45.100 -0.039 0.000 0.941 322 G HN 1.098 nan 8.290 nan 0.000 0.610 323 G N 0.500 109.229 108.800 -0.119 0.000 2.691 323 G HA2 0.591 4.551 3.960 0.000 0.000 0.298 323 G HA3 0.591 4.551 3.960 0.000 0.000 0.298 323 G C -0.159 174.666 174.900 -0.126 0.000 1.471 323 G CA 0.190 45.204 45.100 -0.144 0.000 0.912 323 G HN 0.367 nan 8.290 nan 0.000 0.553 324 D N -0.279 120.048 120.400 -0.121 0.000 2.271 324 D HA 0.092 4.732 4.640 0.000 0.000 0.206 324 D C 0.424 176.771 176.300 0.078 0.000 0.967 324 D CA 1.078 55.045 54.000 -0.055 0.000 0.867 324 D CB 0.358 41.108 40.800 -0.084 0.000 0.960 324 D HN 0.581 nan 8.370 nan 0.000 0.509 325 H N -0.925 118.021 119.070 -0.207 0.000 2.865 325 H HA 0.620 5.176 4.556 0.000 0.000 0.372 325 H C -0.832 174.303 175.328 -0.320 0.000 1.173 325 H CA -0.858 55.052 56.048 -0.230 0.000 1.147 325 H CB 3.124 32.749 29.762 -0.229 0.000 1.805 325 H HN -0.160 nan 8.280 nan 0.000 0.553 326 I N 1.506 122.003 120.570 -0.122 0.000 2.644 326 I HA 0.129 4.299 4.170 0.000 0.000 0.291 326 I C -0.682 175.405 176.117 -0.049 0.000 1.180 326 I CA -0.545 60.676 61.300 -0.131 0.000 1.040 326 I CB 1.694 39.631 38.000 -0.104 0.000 1.255 326 I HN 0.675 nan 8.210 nan 0.000 0.422 327 H N 5.218 124.203 119.070 -0.142 0.000 2.964 327 H HA 0.086 4.642 4.556 0.000 0.000 0.328 327 H C 0.584 175.837 175.328 -0.125 0.000 1.030 327 H CA 0.908 56.887 56.048 -0.115 0.000 1.445 327 H CB 1.039 30.699 29.762 -0.170 0.000 1.449 327 H HN 0.668 nan 8.280 nan 0.000 0.581 328 S N 1.887 117.586 115.700 -0.001 0.000 2.666 328 S HA 0.319 4.789 4.470 0.000 0.000 0.239 328 S C 0.888 175.585 174.600 0.163 0.000 1.031 328 S CA 0.060 58.355 58.200 0.157 0.000 1.015 328 S CB 1.069 64.499 63.200 0.383 0.000 0.981 328 S HN 1.055 nan 8.310 nan 0.000 0.547 329 G N 1.237 110.053 108.800 0.027 0.000 2.663 329 G HA2 -0.048 3.913 3.960 0.000 0.000 0.686 329 G HA3 -0.048 3.913 3.960 0.000 0.000 0.686 329 G C 0.225 175.200 174.900 0.126 0.000 1.288 329 G CA 0.098 45.236 45.100 0.063 0.000 0.836 329 G HN 0.965 nan 8.290 nan 0.000 0.584 330 T N -3.060 111.545 114.554 0.084 0.000 2.959 330 T HA 0.481 4.831 4.350 0.000 0.000 0.254 330 T C 1.805 176.570 174.700 0.107 0.000 1.003 330 T CA 1.314 63.471 62.100 0.095 0.000 0.950 330 T CB 0.522 69.336 68.868 -0.090 0.000 1.090 330 T HN 2.270 nan 8.240 nan 0.000 0.503 331 V N 0.868 120.823 119.914 0.068 0.000 0.550 331 V HA -0.342 3.778 4.120 0.000 0.000 0.092 331 V C 2.095 178.203 176.094 0.023 0.000 2.065 331 V CA 2.128 64.447 62.300 0.031 0.000 3.496 331 V CB -1.884 29.921 31.823 -0.029 0.000 0.788 331 V HN 0.719 nan 8.190 nan 0.000 0.820 332 V N -0.657 119.250 119.914 -0.012 0.000 3.623 332 V HA 0.595 4.715 4.120 0.000 0.000 0.271 332 V C 1.271 177.310 176.094 -0.092 0.000 1.248 332 V CA 1.490 63.782 62.300 -0.015 0.000 1.156 332 V CB -0.352 31.471 31.823 -0.000 0.000 0.870 332 V HN 0.951 nan 8.190 nan 0.000 0.453 333 G N 1.387 110.076 108.800 -0.185 0.000 2.531 333 G HA2 0.252 4.212 3.960 0.000 0.000 0.253 333 G HA3 0.252 4.212 3.960 0.000 0.000 0.253 333 G C 0.767 175.405 174.900 -0.437 0.000 1.439 333 G CA 0.020 44.922 45.100 -0.329 0.000 1.056 333 G HN 0.515 nan 8.290 nan 0.000 0.555 334 K N -1.242 118.647 120.400 -0.853 0.000 2.365 334 K HA 0.130 4.450 4.320 0.000 0.000 0.199 334 K C 0.372 176.802 176.600 -0.283 0.000 1.045 334 K CA 0.530 56.320 56.287 -0.828 0.000 0.962 334 K CB -0.257 31.697 32.500 -0.909 0.000 0.759 334 K HN 0.223 nan 8.250 nan 0.000 0.469 335 L N 1.603 122.709 121.223 -0.195 0.000 2.330 335 L HA 0.325 4.665 4.340 0.000 0.000 0.271 335 L C -0.061 176.787 176.870 -0.037 0.000 1.013 335 L CA -1.180 53.599 54.840 -0.101 0.000 0.816 335 L CB 1.746 43.758 42.059 -0.077 0.000 1.287 335 L HN 0.089 nan 8.230 nan 0.000 0.435 336 E N 0.817 121.007 120.200 -0.016 0.000 2.452 336 E HA 0.360 4.710 4.350 0.000 0.000 0.261 336 E C -0.238 176.398 176.600 0.060 0.000 0.987 336 E CA 0.207 56.625 56.400 0.030 0.000 0.926 336 E CB 0.637 30.351 29.700 0.023 0.000 0.934 336 E HN 0.761 nan 8.360 nan 0.000 0.452 337 G N 4.357 113.209 108.800 0.087 0.000 2.374 337 G HA2 0.008 3.968 3.960 0.000 0.000 0.298 337 G HA3 0.008 3.968 3.960 0.000 0.000 0.298 337 G C -1.119 173.840 174.900 0.099 0.000 2.674 337 G CA -0.744 44.430 45.100 0.123 0.000 0.775 337 G HN 0.402 nan 8.290 nan 0.000 0.437 338 E N 1.488 121.756 120.200 0.113 0.000 2.384 338 E HA 0.087 4.437 4.350 0.000 0.000 0.266 338 E C 1.409 178.018 176.600 0.015 0.000 1.012 338 E CA -0.415 56.029 56.400 0.072 0.000 0.901 338 E CB 1.937 31.693 29.700 0.093 0.000 0.967 338 E HN 0.674 nan 8.360 nan 0.000 0.435 339 R N 2.596 123.082 120.500 -0.023 0.000 2.083 339 R HA -0.195 4.145 4.340 0.000 0.000 0.237 339 R C 0.891 177.123 176.300 -0.113 0.000 1.137 339 R CA 1.903 57.949 56.100 -0.090 0.000 0.951 339 R CB 0.117 30.367 30.300 -0.082 0.000 0.851 339 R HN 0.391 nan 8.270 nan 0.000 0.434 340 D N 0.159 120.520 120.400 -0.064 0.000 2.117 340 D HA -0.108 4.532 4.640 0.000 0.000 0.198 340 D C 1.868 178.124 176.300 -0.073 0.000 0.982 340 D CA 1.127 55.088 54.000 -0.066 0.000 0.828 340 D CB -0.043 40.736 40.800 -0.034 0.000 0.967 340 D HN 0.292 nan 8.370 nan 0.000 0.464 341 I N 0.411 120.967 120.570 -0.023 0.000 2.252 341 I HA -0.242 3.928 4.170 0.000 0.000 0.245 341 I C 2.133 178.141 176.117 -0.182 0.000 1.102 341 I CA 1.023 62.345 61.300 0.036 0.000 1.385 341 I CB -0.200 37.929 38.000 0.215 0.000 1.064 341 I HN 0.013 nan 8.210 nan 0.000 0.414 342 T N 1.276 115.617 114.554 -0.355 0.000 2.708 342 T HA -0.127 4.223 4.350 0.000 0.000 0.266 342 T C 1.937 176.159 174.700 -0.798 0.000 1.037 342 T CA 1.195 62.739 62.100 -0.927 0.000 1.146 342 T CB -0.324 68.306 68.868 -0.398 0.000 0.865 342 T HN 0.235 nan 8.240 nan 0.000 0.435 343 L N 0.674 121.650 121.223 -0.412 0.000 2.127 343 L HA -0.050 4.290 4.340 0.000 0.000 0.211 343 L C 2.911 179.665 176.870 -0.193 0.000 1.089 343 L CA 1.254 55.929 54.840 -0.274 0.000 0.757 343 L CB -0.928 41.017 42.059 -0.190 0.000 0.899 343 L HN 0.363 nan 8.230 nan 0.000 0.434 344 G N 0.895 109.586 108.800 -0.182 0.000 2.414 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.301 176.229 174.900 0.047 0.000 1.188 344 G CA 0.859 45.930 45.100 -0.048 0.000 0.783 344 G HN 0.467 nan 8.290 nan 0.000 0.537 345 F N 0.771 120.800 119.950 0.133 0.000 2.407 345 F HA 0.199 4.726 4.527 0.000 0.000 0.299 345 F C 2.146 178.027 175.800 0.135 0.000 1.097 345 F CA 0.044 58.134 58.000 0.151 0.000 1.422 345 F CB -0.873 38.254 39.000 0.211 0.000 1.067 345 F HN -0.007 nan 8.300 nan 0.000 0.539 346 V N 1.176 121.152 119.914 0.103 0.000 2.427 346 V HA -0.231 3.889 4.120 0.000 0.000 0.248 346 V C 2.026 178.193 176.094 0.121 0.000 1.051 346 V CA 2.224 64.623 62.300 0.165 0.000 1.048 346 V CB -0.663 31.215 31.823 0.092 0.000 0.666 346 V HN 0.240 nan 8.190 nan 0.000 0.456 347 D N -0.026 120.425 120.400 0.085 0.000 2.144 347 D HA -0.067 4.573 4.640 0.000 0.000 0.200 347 D C 2.092 178.469 176.300 0.129 0.000 0.978 347 D CA 0.993 55.044 54.000 0.086 0.000 0.833 347 D CB -0.173 40.666 40.800 0.065 0.000 0.961 347 D HN 0.323 nan 8.370 nan 0.000 0.470 348 L N 0.062 121.396 121.223 0.186 0.000 2.201 348 L HA -0.086 4.254 4.340 0.000 0.000 0.212 348 L C 2.279 179.226 176.870 0.129 0.000 1.105 348 L CA 0.486 55.495 54.840 0.281 0.000 0.775 348 L CB -0.117 42.132 42.059 0.317 0.000 0.913 348 L HN 0.060 nan 8.230 nan 0.000 0.440 349 L N -1.086 120.163 121.223 0.043 0.000 2.202 349 L HA -0.045 4.295 4.340 0.000 0.000 0.205 349 L C 2.610 179.367 176.870 -0.189 0.000 1.083 349 L CA 0.857 55.629 54.840 -0.112 0.000 0.790 349 L CB -0.138 41.932 42.059 0.019 0.000 0.942 349 L HN 0.156 nan 8.230 nan 0.000 0.452 350 R N -0.939 119.516 120.500 -0.074 0.000 2.206 350 R HA 0.083 4.423 4.340 0.000 0.000 0.198 350 R C -0.045 176.223 176.300 -0.052 0.000 0.986 350 R CA 0.087 56.150 56.100 -0.062 0.000 1.029 350 R CB 0.219 30.525 30.300 0.010 0.000 0.966 350 R HN 0.253 nan 8.270 nan 0.000 0.487 351 D N 0.103 120.501 120.400 -0.003 0.000 2.432 351 D HA 0.019 4.659 4.640 0.000 0.000 0.258 351 D C 0.156 176.542 176.300 0.143 0.000 1.146 351 D CA -0.144 53.902 54.000 0.077 0.000 1.015 351 D CB 0.967 41.845 40.800 0.130 0.000 1.107 351 D HN -0.135 nan 8.370 nan 0.000 0.529 352 D N -1.940 118.599 120.400 0.231 0.000 2.366 352 D HA -0.020 4.620 4.640 0.000 0.000 0.205 352 D C -0.858 175.719 176.300 0.461 0.000 1.022 352 D CA 0.149 54.357 54.000 0.346 0.000 0.868 352 D CB 0.338 41.275 40.800 0.228 0.000 0.953 352 D HN 0.262 nan 8.370 nan 0.000 0.514 353 Y N -0.382 120.056 120.300 0.230 0.000 2.442 353 Y HA 0.456 5.006 4.550 0.000 0.000 0.330 353 Y C -1.667 174.320 175.900 0.144 0.000 1.100 353 Y CA -0.756 57.436 58.100 0.152 0.000 1.034 353 Y CB 1.808 40.324 38.460 0.092 0.000 1.285 353 Y HN -0.281 nan 8.280 nan 0.000 0.440 354 T N 5.381 119.629 114.554 -0.510 0.000 3.011 354 T HA 0.243 4.593 4.350 0.000 0.000 0.303 354 T C -1.044 173.331 174.700 -0.543 0.000 0.997 354 T CA -0.754 61.141 62.100 -0.342 0.000 1.007 354 T CB 1.478 70.319 68.868 -0.046 0.000 1.017 354 T HN 0.650 nan 8.240 nan 0.000 0.443 355 E N 2.190 122.135 120.200 -0.424 0.000 2.366 355 E HA 0.211 4.561 4.350 0.000 0.000 0.266 355 E C 0.264 176.802 176.600 -0.103 0.000 1.051 355 E CA -0.673 55.579 56.400 -0.247 0.000 0.884 355 E CB 0.756 30.425 29.700 -0.052 0.000 1.006 355 E HN 0.447 nan 8.360 nan 0.000 0.417 356 K N 2.686 123.054 120.400 -0.052 0.000 2.550 356 K HA -0.132 4.188 4.320 0.000 0.000 0.280 356 K C -0.946 175.625 176.600 -0.049 0.000 0.987 356 K CA 0.626 56.895 56.287 -0.029 0.000 1.048 356 K CB 0.341 32.833 32.500 -0.014 0.000 0.879 356 K HN 0.387 nan 8.250 nan 0.000 0.491 357 D N 3.888 124.247 120.400 -0.068 0.000 2.445 357 D HA 0.144 4.785 4.640 0.000 0.000 0.236 357 D C 0.307 176.537 176.300 -0.118 0.000 1.315 357 D CA -0.491 53.465 54.000 -0.074 0.000 0.924 357 D CB 0.541 41.314 40.800 -0.046 0.000 1.447 357 D HN 0.525 nan 8.370 nan 0.000 0.532 358 R N 0.735 121.131 120.500 -0.173 0.000 2.200 358 R HA -0.094 4.246 4.340 0.000 0.000 0.234 358 R C 1.819 178.021 176.300 -0.164 0.000 1.127 358 R CA 1.261 57.208 56.100 -0.257 0.000 0.989 358 R CB -0.650 29.478 30.300 -0.287 0.000 0.869 358 R HN 0.510 nan 8.270 nan 0.000 0.459 359 S N 0.295 115.934 115.700 -0.101 0.000 2.474 359 S HA -0.065 4.406 4.470 0.000 0.000 0.235 359 S C 1.516 176.085 174.600 -0.053 0.000 0.997 359 S CA 0.652 58.812 58.200 -0.066 0.000 0.949 359 S CB -0.008 63.163 63.200 -0.047 0.000 0.766 359 S HN 0.303 nan 8.310 nan 0.000 0.517 360 R N 0.186 120.651 120.500 -0.057 0.000 2.509 360 R HA 0.336 4.676 4.340 0.000 0.000 0.300 360 R C 1.185 177.473 176.300 -0.020 0.000 0.985 360 R CA 0.288 56.367 56.100 -0.035 0.000 1.092 360 R CB 0.365 30.645 30.300 -0.034 0.000 1.237 360 R HN 0.506 nan 8.270 nan 0.000 0.546 361 G N 1.772 110.539 108.800 -0.055 0.000 2.148 361 G HA2 -0.274 3.686 3.960 0.000 0.000 0.254 361 G HA3 -0.274 3.686 3.960 0.000 0.000 0.254 361 G C 0.153 175.094 174.900 0.068 0.000 0.981 361 G CA -0.114 44.974 45.100 -0.020 0.000 0.670 361 G HN 0.294 nan 8.290 nan 0.000 0.528 362 I N 0.932 121.499 120.570 -0.004 0.000 2.281 362 I HA 0.303 4.473 4.170 0.000 0.000 0.293 362 I C 1.192 177.305 176.117 -0.007 0.000 1.085 362 I CA -0.899 60.444 61.300 0.071 0.000 1.257 362 I CB 0.397 38.420 38.000 0.039 0.000 1.430 362 I HN 0.051 nan 8.210 nan 0.000 0.489 363 Y N 5.206 125.423 120.300 -0.139 0.000 2.519 363 Y HA 0.169 4.720 4.550 0.000 0.000 0.287 363 Y C 0.210 175.797 175.900 -0.521 0.000 1.128 363 Y CA 0.304 58.191 58.100 -0.355 0.000 1.282 363 Y CB -0.109 38.004 38.460 -0.578 0.000 1.027 363 Y HN 0.305 nan 8.280 nan 0.000 0.551 364 F N -1.885 118.186 119.950 0.201 0.000 2.588 364 F HA 0.393 4.920 4.527 0.000 0.000 0.310 364 F C 0.149 175.953 175.800 0.006 0.000 1.082 364 F CA -1.681 56.385 58.000 0.109 0.000 0.929 364 F CB 1.118 40.182 39.000 0.107 0.000 1.254 364 F HN -0.505 nan 8.300 nan 0.000 0.455 365 T N 1.861 116.512 114.554 0.162 0.000 2.851 365 T HA 0.324 4.674 4.350 0.000 0.000 0.298 365 T C -0.553 174.111 174.700 -0.060 0.000 0.977 365 T CA -0.096 61.983 62.100 -0.035 0.000 1.126 365 T CB 0.750 69.603 68.868 -0.025 0.000 0.916 365 T HN 0.450 nan 8.240 nan 0.000 0.529 366 Q N 2.161 121.850 119.800 -0.184 0.000 2.340 366 Q HA 0.555 4.895 4.340 0.000 0.000 0.268 366 Q C -1.216 174.606 176.000 -0.295 0.000 1.031 366 Q CA -0.407 55.244 55.803 -0.254 0.000 0.804 366 Q CB 1.515 30.107 28.738 -0.244 0.000 1.286 366 Q HN 0.582 nan 8.270 nan 0.000 0.448 367 S N 3.062 118.585 115.700 -0.296 0.000 2.532 367 S HA 0.463 4.933 4.470 0.000 0.000 0.301 367 S C -0.753 173.642 174.600 -0.342 0.000 1.083 367 S CA -0.529 57.611 58.200 -0.100 0.000 1.025 367 S CB 0.603 63.855 63.200 0.088 0.000 1.056 367 S HN 0.824 nan 8.310 nan 0.000 0.494 368 W N 0.924 122.269 121.300 0.075 0.000 3.008 368 W HA 0.218 4.878 4.660 0.000 0.000 0.355 368 W C 0.615 177.155 176.519 0.035 0.000 1.095 368 W CA -0.458 56.909 57.345 0.036 0.000 1.738 368 W CB -0.070 29.405 29.460 0.024 0.000 1.091 368 W HN 0.608 nan 8.180 nan 0.000 0.574 369 V N -0.189 119.847 119.914 0.204 0.000 5.257 369 V HA -0.392 3.728 4.120 0.000 0.000 0.265 369 V C 0.673 176.849 176.094 0.137 0.000 0.646 369 V CA 0.756 63.138 62.300 0.137 0.000 0.650 369 V CB -2.555 29.323 31.823 0.091 0.000 0.424 369 V HN 0.476 nan 8.190 nan 0.000 0.862 370 S N -2.276 113.517 115.700 0.154 0.000 3.361 370 S HA -0.200 4.270 4.470 0.000 0.000 0.288 370 S C 0.656 175.311 174.600 0.091 0.000 1.269 370 S CA 1.267 59.533 58.200 0.110 0.000 0.976 370 S CB -1.787 61.456 63.200 0.072 0.000 1.162 370 S HN 1.519 nan 8.310 nan 0.000 0.643 371 T N 3.761 118.398 114.554 0.139 0.000 2.871 371 T HA 0.280 4.630 4.350 0.000 0.000 0.296 371 T C -1.837 172.841 174.700 -0.036 0.000 0.998 371 T CA -0.340 61.802 62.100 0.070 0.000 1.162 371 T CB 0.281 69.236 68.868 0.144 0.000 0.947 371 T HN 0.095 nan 8.240 nan 0.000 0.536 372 P HA 0.178 nan 4.420 nan 0.000 0.267 372 P C 0.352 177.559 177.300 -0.156 0.000 1.201 372 P CA -0.138 62.918 63.100 -0.073 0.000 0.775 372 P CB 0.386 32.052 31.700 -0.056 0.000 0.854 373 G N 0.843 109.569 108.800 -0.124 0.000 2.448 373 G HA2 0.461 4.421 3.960 0.000 0.000 0.285 373 G HA3 0.461 4.421 3.960 0.000 0.000 0.285 373 G C -0.804 174.021 174.900 -0.124 0.000 1.176 373 G CA -0.413 44.587 45.100 -0.167 0.000 0.852 373 G HN 0.346 nan 8.290 nan 0.000 0.530 374 V N 1.975 121.800 119.914 -0.148 0.000 2.472 374 V HA 0.262 4.382 4.120 0.000 0.000 0.290 374 V C -0.069 175.994 176.094 -0.052 0.000 1.037 374 V CA -0.898 61.343 62.300 -0.098 0.000 0.908 374 V CB 1.534 33.271 31.823 -0.145 0.000 0.985 374 V HN 0.534 nan 8.190 nan 0.000 0.454 375 L N 8.428 129.636 121.223 -0.025 0.000 2.313 375 L HA 0.440 4.780 4.340 0.000 0.000 0.282 375 L C -1.997 174.806 176.870 -0.113 0.000 1.092 375 L CA -1.728 53.072 54.840 -0.067 0.000 0.831 375 L CB 0.933 42.926 42.059 -0.110 0.000 1.159 375 L HN 0.454 nan 8.230 nan 0.000 0.442 376 P HA 0.132 nan 4.420 nan 0.000 0.279 376 P C -1.109 176.012 177.300 -0.298 0.000 1.239 376 P CA -0.242 62.794 63.100 -0.105 0.000 0.789 376 P CB 1.363 33.078 31.700 0.024 0.000 0.933 377 V N 2.938 122.668 119.914 -0.306 0.000 2.378 377 V HA 0.498 4.618 4.120 0.000 0.000 0.288 377 V C 0.506 176.319 176.094 -0.469 0.000 1.016 377 V CA -0.823 61.230 62.300 -0.411 0.000 0.840 377 V CB 1.163 32.757 31.823 -0.383 0.000 0.994 377 V HN 0.693 nan 8.190 nan 0.000 0.431 378 A N 3.888 126.378 122.820 -0.551 0.000 2.260 378 A HA 0.804 5.124 4.320 0.000 0.000 0.308 378 A C 0.081 177.437 177.584 -0.380 0.000 1.254 378 A CA -0.216 51.550 52.037 -0.453 0.000 0.874 378 A CB 0.911 19.583 19.000 -0.546 0.000 1.153 378 A HN 0.893 nan 8.150 nan 0.000 0.527 379 S N 1.748 117.295 115.700 -0.254 0.000 2.543 379 S HA 0.713 5.183 4.470 0.000 0.000 0.273 379 S C -0.534 173.996 174.600 -0.117 0.000 1.152 379 S CA 0.391 58.466 58.200 -0.209 0.000 0.910 379 S CB 1.168 64.318 63.200 -0.082 0.000 1.105 379 S HN 2.551 nan 8.310 nan 0.000 0.465 380 G N 1.914 110.610 108.800 -0.174 0.000 2.594 380 G HA2 0.455 4.415 3.960 0.000 0.000 0.422 380 G HA3 0.455 4.415 3.960 0.000 0.000 0.422 380 G C 0.808 175.539 174.900 -0.282 0.000 1.190 380 G CA 0.307 45.306 45.100 -0.168 0.000 1.234 380 G HN 2.140 nan 8.290 nan 0.000 0.584 381 G N 0.136 108.783 108.800 -0.256 0.000 2.198 381 G HA2 -0.008 3.952 3.960 0.000 0.000 0.257 381 G HA3 -0.008 3.952 3.960 0.000 0.000 0.257 381 G C 0.528 175.345 174.900 -0.139 0.000 1.042 381 G CA 0.907 45.813 45.100 -0.324 0.000 0.791 381 G HN 2.229 nan 8.290 nan 0.000 0.502 382 I N -2.280 118.221 120.570 -0.116 0.000 2.648 382 I HA 0.985 5.155 4.170 0.000 0.000 0.304 382 I C 0.100 176.415 176.117 0.330 0.000 1.009 382 I CA -1.444 59.840 61.300 -0.027 0.000 1.114 382 I CB 1.895 39.735 38.000 -0.266 0.000 1.293 382 I HN 0.344 nan 8.210 nan 0.000 0.449 383 H N 1.114 120.534 119.070 0.582 0.000 2.933 383 H HA 0.438 4.994 4.556 0.000 0.000 0.310 383 H C 0.662 176.113 175.328 0.204 0.000 1.351 383 H CA -0.437 55.746 56.048 0.225 0.000 1.137 383 H CB 0.661 30.276 29.762 -0.246 0.000 1.853 383 H HN 0.384 nan 8.280 nan 0.000 0.539 384 V N -2.671 117.313 119.914 0.118 0.000 2.313 384 V HA -0.315 3.805 4.120 0.000 0.000 0.253 384 V C 1.391 177.463 176.094 -0.036 0.000 1.070 384 V CA 2.085 64.332 62.300 -0.088 0.000 1.057 384 V CB -1.315 30.371 31.823 -0.229 0.000 0.653 384 V HN 0.815 nan 8.190 nan 0.000 0.450 385 W N 0.339 121.742 121.300 0.171 0.000 2.465 385 W HA 0.020 4.680 4.660 0.000 0.000 0.268 385 W C 2.486 178.956 176.519 -0.082 0.000 1.242 385 W CA 1.328 58.685 57.345 0.021 0.000 1.248 385 W CB -0.537 28.962 29.460 0.066 0.000 1.118 385 W HN 0.405 nan 8.180 nan 0.000 0.587 386 H N -1.311 117.824 119.070 0.108 0.000 2.548 386 H HA -0.037 4.519 4.556 0.000 0.000 0.268 386 H C 2.016 177.419 175.328 0.126 0.000 0.975 386 H CA 0.711 56.801 56.048 0.071 0.000 1.195 386 H CB -0.023 29.728 29.762 -0.019 0.000 1.397 386 H HN -0.035 nan 8.280 nan 0.000 0.572 387 M N 1.195 120.936 119.600 0.235 0.000 2.089 387 M HA -0.115 4.366 4.480 0.000 0.000 0.257 387 M C -1.002 175.392 176.300 0.156 0.000 1.071 387 M CA 1.819 57.230 55.300 0.185 0.000 1.096 387 M CB -0.540 32.102 32.600 0.069 0.000 1.330 387 M HN 0.116 nan 8.290 nan 0.000 0.403 388 P HA -0.052 nan 4.420 nan 0.000 0.216 388 P C 1.052 178.421 177.300 0.116 0.000 1.153 388 P CA 2.066 65.235 63.100 0.115 0.000 0.848 388 P CB -0.250 31.518 31.700 0.113 0.000 0.787 389 A N -0.739 122.163 122.820 0.136 0.000 1.930 389 A HA -0.135 4.185 4.320 0.000 0.000 0.217 389 A C 2.161 179.810 177.584 0.107 0.000 1.175 389 A CA 1.326 53.428 52.037 0.108 0.000 0.627 389 A CB -1.624 17.452 19.000 0.127 0.000 0.815 389 A HN 0.097 nan 8.150 nan 0.000 0.443 390 L N -0.760 120.566 121.223 0.171 0.000 2.056 390 L HA -0.147 4.193 4.340 0.000 0.000 0.207 390 L C 2.749 179.773 176.870 0.256 0.000 1.078 390 L CA 1.746 56.737 54.840 0.252 0.000 0.749 390 L CB -0.991 41.224 42.059 0.261 0.000 0.901 390 L HN 0.315 nan 8.230 nan 0.000 0.433 391 T N -1.078 113.584 114.554 0.180 0.000 2.788 391 T HA -0.226 4.124 4.350 0.000 0.000 0.268 391 T C 1.791 176.558 174.700 0.112 0.000 1.044 391 T CA 1.438 63.626 62.100 0.147 0.000 1.139 391 T CB -0.135 68.800 68.868 0.111 0.000 0.867 391 T HN 0.374 nan 8.240 nan 0.000 0.454 392 E N 0.528 120.774 120.200 0.077 0.000 2.158 392 E HA -0.028 4.322 4.350 0.000 0.000 0.191 392 E C 2.144 178.729 176.600 -0.025 0.000 0.982 392 E CA 0.551 56.970 56.400 0.032 0.000 0.823 392 E CB -0.082 29.634 29.700 0.027 0.000 0.766 392 E HN 0.493 nan 8.360 nan 0.000 0.468 393 I N -0.070 120.448 120.570 -0.087 0.000 2.193 393 I HA -0.223 3.947 4.170 0.000 0.000 0.240 393 I C 1.837 177.741 176.117 -0.354 0.000 1.084 393 I CA 1.122 62.238 61.300 -0.306 0.000 1.365 393 I CB -0.188 37.475 38.000 -0.563 0.000 1.064 393 I HN 0.066 nan 8.210 nan 0.000 0.410 394 F N 0.498 120.445 119.950 -0.004 0.000 2.530 394 F HA 0.327 4.854 4.527 0.000 0.000 0.292 394 F C 1.571 177.375 175.800 0.005 0.000 1.109 394 F CA 0.573 58.570 58.000 -0.006 0.000 1.450 394 F CB -0.746 38.248 39.000 -0.011 0.000 1.114 394 F HN 0.155 nan 8.300 nan 0.000 0.560 395 G N 0.728 109.637 108.800 0.183 0.000 2.741 395 G HA2 -0.272 3.688 3.960 0.000 0.000 0.222 395 G HA3 -0.272 3.688 3.960 0.000 0.000 0.222 395 G C 0.191 175.164 174.900 0.121 0.000 1.364 395 G CA -0.056 45.117 45.100 0.120 0.000 0.866 395 G HN 0.125 nan 8.290 nan 0.000 0.555 396 D N 0.473 120.926 120.400 0.089 0.000 2.133 396 D HA -0.033 4.607 4.640 0.000 0.000 0.195 396 D C 1.115 177.453 176.300 0.064 0.000 0.997 396 D CA 1.688 55.733 54.000 0.075 0.000 0.840 396 D CB -0.196 40.648 40.800 0.073 0.000 0.947 396 D HN 0.448 nan 8.370 nan 0.000 0.452 397 D N 0.641 121.082 120.400 0.068 0.000 2.608 397 D HA 0.166 4.806 4.640 0.000 0.000 0.224 397 D C 0.070 176.382 176.300 0.021 0.000 1.123 397 D CA 0.097 54.125 54.000 0.046 0.000 1.030 397 D CB -0.165 40.666 40.800 0.052 0.000 1.093 397 D HN 0.059 nan 8.370 nan 0.000 0.497 398 S N -1.394 114.290 115.700 -0.026 0.000 2.615 398 S HA 0.618 5.088 4.470 0.000 0.000 0.269 398 S C -1.009 173.498 174.600 -0.155 0.000 1.161 398 S CA -0.925 57.192 58.200 -0.138 0.000 0.817 398 S CB 1.728 64.814 63.200 -0.189 0.000 1.131 398 S HN -0.078 nan 8.310 nan 0.000 0.467 399 V N 1.654 121.420 119.914 -0.247 0.000 2.444 399 V HA 0.496 4.616 4.120 0.000 0.000 0.294 399 V C -0.827 175.138 176.094 -0.215 0.000 1.022 399 V CA -0.623 61.584 62.300 -0.155 0.000 0.850 399 V CB 1.193 32.921 31.823 -0.158 0.000 0.992 399 V HN 0.814 nan 8.190 nan 0.000 0.426 400 L N 5.139 126.289 121.223 -0.122 0.000 2.272 400 L HA 0.580 4.921 4.340 0.000 0.000 0.289 400 L C -0.127 176.596 176.870 -0.245 0.000 1.032 400 L CA -0.335 54.380 54.840 -0.209 0.000 0.810 400 L CB 1.221 43.284 42.059 0.007 0.000 1.205 400 L HN 0.621 nan 8.230 nan 0.000 0.422 401 Q N 3.582 123.089 119.800 -0.489 0.000 2.316 401 Q HA 0.535 4.875 4.340 0.000 0.000 0.264 401 Q C -1.467 174.125 176.000 -0.679 0.000 0.987 401 Q CA -0.474 55.101 55.803 -0.380 0.000 0.852 401 Q CB 2.425 31.035 28.738 -0.214 0.000 1.287 401 Q HN 0.410 nan 8.270 nan 0.000 0.448 402 F N 0.883 120.798 119.950 -0.058 0.000 2.552 402 F HA 0.346 4.873 4.527 0.000 0.000 0.369 402 F C 0.887 176.654 175.800 -0.054 0.000 1.112 402 F CA -0.709 57.253 58.000 -0.063 0.000 1.129 402 F CB 1.175 40.139 39.000 -0.060 0.000 1.360 402 F HN 0.752 nan 8.300 nan 0.000 0.473 403 G N 1.458 110.285 108.800 0.045 0.000 2.572 403 G HA2 0.026 3.986 3.960 0.000 0.000 0.214 403 G HA3 0.026 3.986 3.960 0.000 0.000 0.214 403 G C 1.769 176.704 174.900 0.059 0.000 1.246 403 G CA 0.673 45.791 45.100 0.031 0.000 0.835 403 G HN 0.734 nan 8.290 nan 0.000 0.551 404 G N 0.681 109.508 108.800 0.045 0.000 2.422 404 G HA2 0.071 4.032 3.960 0.000 0.000 0.218 404 G HA3 0.071 4.032 3.960 0.000 0.000 0.218 404 G C 1.697 176.642 174.900 0.074 0.000 1.146 404 G CA 1.313 46.460 45.100 0.078 0.000 0.769 404 G HN 0.677 nan 8.290 nan 0.000 0.547 405 G N -0.693 108.088 108.800 -0.030 0.000 2.625 405 G HA2 0.115 4.075 3.960 0.000 0.000 0.214 405 G HA3 0.115 4.075 3.960 0.000 0.000 0.214 405 G C 1.426 176.380 174.900 0.090 0.000 1.132 405 G CA 1.605 46.586 45.100 -0.197 0.000 0.782 405 G HN 0.422 nan 8.290 nan 0.000 0.538 406 T N 0.105 114.761 114.554 0.170 0.000 3.138 406 T HA 0.093 4.443 4.350 0.000 0.000 0.245 406 T C 1.799 176.615 174.700 0.192 0.000 0.982 406 T CA -0.140 62.058 62.100 0.163 0.000 1.134 406 T CB -0.013 68.907 68.868 0.087 0.000 1.032 406 T HN 0.047 nan 8.240 nan 0.000 0.442 407 L N 1.745 123.057 121.223 0.149 0.000 2.610 407 L HA 0.300 4.640 4.340 0.000 0.000 0.232 407 L C 2.127 179.112 176.870 0.192 0.000 1.149 407 L CA 0.733 55.652 54.840 0.131 0.000 0.872 407 L CB -0.355 41.743 42.059 0.066 0.000 0.992 407 L HN 0.367 nan 8.230 nan 0.000 0.447 408 G N -3.193 105.799 108.800 0.319 0.000 3.126 408 G HA2 -0.060 3.900 3.960 0.000 0.000 0.224 408 G HA3 -0.060 3.900 3.960 0.000 0.000 0.224 408 G C 0.547 175.638 174.900 0.317 0.000 1.142 408 G CA -0.283 45.055 45.100 0.396 0.000 0.759 408 G HN 0.299 nan 8.290 nan 0.000 0.550 409 H N 2.119 121.326 119.070 0.229 0.000 2.928 409 H HA 0.081 4.637 4.556 0.000 0.000 0.338 409 H C -1.040 174.251 175.328 -0.061 0.000 1.047 409 H CA -0.916 55.126 56.048 -0.010 0.000 1.435 409 H CB 2.062 31.837 29.762 0.022 0.000 1.428 409 H HN 0.029 nan 8.280 nan 0.000 0.590 410 P HA -0.115 nan 4.420 nan 0.000 0.225 410 P C 0.613 178.162 177.300 0.414 0.000 1.148 410 P CA 0.959 64.053 63.100 -0.010 0.000 0.779 410 P CB 0.119 31.717 31.700 -0.171 0.000 0.780 411 W N 0.528 122.014 121.300 0.309 0.000 3.220 411 W HA 0.501 5.161 4.660 0.000 0.000 0.328 411 W C 1.074 177.644 176.519 0.085 0.000 1.205 411 W CA 0.465 57.916 57.345 0.176 0.000 1.773 411 W CB -0.481 29.081 29.460 0.170 0.000 1.086 411 W HN 0.057 nan 8.180 nan 0.000 0.622 412 G N 0.674 109.656 108.800 0.303 0.000 2.462 412 G HA2 -0.264 3.696 3.960 0.000 0.000 0.685 412 G HA3 -0.264 3.696 3.960 0.000 0.000 0.685 412 G C 0.553 175.490 174.900 0.062 0.000 1.295 412 G CA -0.269 44.917 45.100 0.143 0.000 0.941 412 G HN -0.070 nan 8.290 nan 0.000 0.554 413 N N -0.028 118.682 118.700 0.018 0.000 2.106 413 N HA 0.005 4.745 4.740 0.000 0.000 0.188 413 N C 2.765 178.223 175.510 -0.087 0.000 1.029 413 N CA 2.568 55.602 53.050 -0.026 0.000 0.848 413 N CB -0.669 37.796 38.487 -0.037 0.000 1.007 413 N HN 1.095 nan 8.380 nan 0.000 0.423 414 A N 1.386 124.147 122.820 -0.099 0.000 1.883 414 A HA -0.068 4.252 4.320 0.000 0.000 0.217 414 A C -0.181 177.319 177.584 -0.140 0.000 1.186 414 A CA 1.485 53.447 52.037 -0.125 0.000 0.624 414 A CB -1.535 17.392 19.000 -0.121 0.000 0.822 414 A HN 0.238 nan 8.150 nan 0.000 0.444 415 P HA -0.020 nan 4.420 nan 0.000 0.219 415 P C 1.668 178.581 177.300 -0.644 0.000 1.150 415 P CA 1.475 64.398 63.100 -0.295 0.000 0.814 415 P CB -0.271 31.343 31.700 -0.143 0.000 0.787 416 G N 0.255 108.695 108.800 -0.600 0.000 2.422 416 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 416 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 416 G C 1.598 176.389 174.900 -0.182 0.000 1.146 416 G CA 0.899 45.778 45.100 -0.368 0.000 0.769 416 G HN 0.298 nan 8.290 nan 0.000 0.547 417 A N 0.097 122.821 122.820 -0.160 0.000 1.897 417 A HA 0.154 4.474 4.320 0.000 0.000 0.215 417 A C 2.578 180.080 177.584 -0.136 0.000 1.181 417 A CA 1.581 53.545 52.037 -0.121 0.000 0.620 417 A CB -0.580 18.359 19.000 -0.101 0.000 0.821 417 A HN 0.224 nan 8.150 nan 0.000 0.443 418 V N 0.085 119.912 119.914 -0.145 0.000 2.332 418 V HA -0.285 3.835 4.120 0.000 0.000 0.248 418 V C 3.055 179.065 176.094 -0.139 0.000 1.055 418 V CA 1.955 64.188 62.300 -0.113 0.000 1.038 418 V CB -1.232 30.537 31.823 -0.089 0.000 0.651 418 V HN 0.619 nan 8.190 nan 0.000 0.450 419 A N 0.478 123.186 122.820 -0.187 0.000 1.883 419 A HA -0.300 4.020 4.320 0.000 0.000 0.217 419 A C 2.032 179.484 177.584 -0.220 0.000 1.186 419 A CA 2.515 54.438 52.037 -0.190 0.000 0.624 419 A CB -0.873 18.059 19.000 -0.113 0.000 0.822 419 A HN 0.687 nan 8.150 nan 0.000 0.444 420 N N -1.207 117.340 118.700 -0.255 0.000 2.142 420 N HA -0.156 4.584 4.740 0.000 0.000 0.186 420 N C 1.951 177.318 175.510 -0.238 0.000 1.023 420 N CA 1.368 54.186 53.050 -0.386 0.000 0.852 420 N CB -0.151 38.004 38.487 -0.553 0.000 0.998 420 N HN 0.435 nan 8.380 nan 0.000 0.424 421 R N 1.124 121.535 120.500 -0.149 0.000 2.081 421 R HA -0.006 4.334 4.340 0.000 0.000 0.235 421 R C 1.710 177.984 176.300 -0.043 0.000 1.131 421 R CA 1.079 57.133 56.100 -0.077 0.000 0.960 421 R CB -0.752 29.515 30.300 -0.055 0.000 0.856 421 R HN 0.030 nan 8.270 nan 0.000 0.436 422 V N 0.826 120.709 119.914 -0.052 0.000 2.358 422 V HA -0.184 3.936 4.120 0.000 0.000 0.246 422 V C 2.354 178.420 176.094 -0.047 0.000 1.047 422 V CA 1.886 64.186 62.300 0.000 0.000 1.035 422 V CB -0.933 30.834 31.823 -0.094 0.000 0.658 422 V HN 0.543 nan 8.190 nan 0.000 0.452 423 A N -0.157 122.579 122.820 -0.140 0.000 1.883 423 A HA -0.229 4.091 4.320 0.000 0.000 0.217 423 A C 2.178 179.726 177.584 -0.059 0.000 1.186 423 A CA 2.250 54.199 52.037 -0.145 0.000 0.624 423 A CB -0.637 18.232 19.000 -0.219 0.000 0.822 423 A HN 0.452 nan 8.150 nan 0.000 0.444 424 L N 0.120 121.315 121.223 -0.047 0.000 2.017 424 L HA -0.166 4.174 4.340 0.000 0.000 0.208 424 L C 2.244 179.135 176.870 0.034 0.000 1.073 424 L CA 2.502 57.348 54.840 0.009 0.000 0.745 424 L CB -0.669 41.399 42.059 0.016 0.000 0.894 424 L HN 0.527 nan 8.230 nan 0.000 0.432 425 E N -0.533 119.691 120.200 0.040 0.000 2.150 425 E HA -0.190 4.161 4.350 0.000 0.000 0.193 425 E C 2.132 178.782 176.600 0.085 0.000 0.985 425 E CA 0.948 57.386 56.400 0.063 0.000 0.814 425 E CB -0.266 29.477 29.700 0.072 0.000 0.752 425 E HN 0.666 nan 8.360 nan 0.000 0.466 426 A N 0.896 123.778 122.820 0.102 0.000 1.902 426 A HA -0.193 4.127 4.320 0.000 0.000 0.217 426 A C 2.427 180.059 177.584 0.080 0.000 1.181 426 A CA 1.188 53.300 52.037 0.124 0.000 0.623 426 A CB -0.806 18.258 19.000 0.106 0.000 0.818 426 A HN 0.344 nan 8.150 nan 0.000 0.443 427 C N -1.432 117.903 119.300 0.058 0.000 2.440 427 C HA -0.017 4.443 4.460 0.000 0.000 0.278 427 C C 2.743 177.769 174.990 0.060 0.000 1.295 427 C CA 0.900 59.953 59.018 0.058 0.000 1.738 427 C CB -1.166 26.610 27.740 0.059 0.000 1.987 427 C HN 0.451 nan 8.230 nan 0.000 0.492 428 V N 0.561 120.510 119.914 0.059 0.000 2.307 428 V HA -0.274 3.846 4.120 0.000 0.000 0.245 428 V C 2.538 178.662 176.094 0.050 0.000 1.045 428 V CA 2.201 64.534 62.300 0.055 0.000 1.024 428 V CB -0.846 31.008 31.823 0.052 0.000 0.651 428 V HN 0.621 nan 8.190 nan 0.000 0.449 429 Q N -0.145 119.686 119.800 0.053 0.000 2.061 429 Q HA -0.237 4.104 4.340 0.000 0.000 0.204 429 Q C 2.263 178.290 176.000 0.045 0.000 0.984 429 Q CA 2.175 58.005 55.803 0.045 0.000 0.846 429 Q CB -0.304 28.463 28.738 0.048 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.490 124.343 122.820 0.054 0.000 1.883 430 A HA -0.253 4.067 4.320 0.000 0.000 0.217 430 A C 2.157 179.767 177.584 0.044 0.000 1.186 430 A CA 1.720 53.788 52.037 0.051 0.000 0.624 430 A CB -0.833 18.202 19.000 0.058 0.000 0.822 430 A HN 0.489 nan 8.150 nan 0.000 0.444 431 R N 0.108 120.636 120.500 0.046 0.000 2.083 431 R HA -0.179 4.161 4.340 0.000 0.000 0.237 431 R C 1.873 178.195 176.300 0.036 0.000 1.137 431 R CA 2.017 58.142 56.100 0.042 0.000 0.951 431 R CB -0.609 29.719 30.300 0.046 0.000 0.851 431 R HN 0.739 nan 8.270 nan 0.000 0.434 432 N N 0.034 118.755 118.700 0.036 0.000 2.223 432 N HA -0.153 4.587 4.740 0.000 0.000 0.185 432 N C 1.055 176.580 175.510 0.026 0.000 1.016 432 N CA 1.094 54.162 53.050 0.030 0.000 0.863 432 N CB 0.003 38.507 38.487 0.029 0.000 0.983 432 N HN 0.438 nan 8.380 nan 0.000 0.429 433 E N -0.392 119.824 120.200 0.027 0.000 2.502 433 E HA 0.036 4.386 4.350 0.000 0.000 0.194 433 E C 0.952 177.566 176.600 0.024 0.000 1.062 433 E CA 0.100 56.514 56.400 0.024 0.000 0.867 433 E CB 0.299 30.014 29.700 0.025 0.000 0.888 433 E HN 0.471 nan 8.360 nan 0.000 0.510 434 G N 1.653 110.468 108.800 0.025 0.000 2.179 434 G HA2 -0.245 3.716 3.960 0.000 0.000 0.220 434 G HA3 -0.245 3.716 3.960 0.000 0.000 0.220 434 G C 0.243 175.159 174.900 0.026 0.000 0.990 434 G CA -0.397 44.718 45.100 0.024 0.000 0.646 434 G HN 0.079 nan 8.290 nan 0.000 0.517 435 R N 0.725 121.244 120.500 0.031 0.000 2.641 435 R HA 0.306 4.646 4.340 0.000 0.000 0.269 435 R C -0.635 175.685 176.300 0.034 0.000 1.074 435 R CA -0.325 55.795 56.100 0.034 0.000 1.133 435 R CB 0.557 30.881 30.300 0.040 0.000 1.029 435 R HN 0.227 nan 8.270 nan 0.000 0.488 436 D N 2.921 123.341 120.400 0.034 0.000 2.380 436 D HA 0.048 4.688 4.640 0.000 0.000 0.230 436 D C 1.249 177.572 176.300 0.040 0.000 1.154 436 D CA -0.118 53.902 54.000 0.033 0.000 0.859 436 D CB 0.824 41.641 40.800 0.028 0.000 1.045 436 D HN 0.410 nan 8.370 nan 0.000 0.495 437 L N 3.248 124.496 121.223 0.043 0.000 2.079 437 L HA -0.216 4.124 4.340 0.000 0.000 0.210 437 L C 2.469 179.371 176.870 0.054 0.000 1.081 437 L CA 1.395 56.267 54.840 0.053 0.000 0.752 437 L CB -0.331 41.761 42.059 0.055 0.000 0.896 437 L HN 0.434 nan 8.230 nan 0.000 0.433 438 A N 0.002 122.848 122.820 0.042 0.000 1.877 438 A HA -0.162 4.158 4.320 0.000 0.000 0.216 438 A C 2.412 180.020 177.584 0.041 0.000 1.186 438 A CA 1.320 53.381 52.037 0.040 0.000 0.620 438 A CB -0.331 18.685 19.000 0.026 0.000 0.822 438 A HN 0.318 nan 8.150 nan 0.000 0.443 439 R N -0.370 120.152 120.500 0.036 0.000 2.100 439 R HA 0.009 4.349 4.340 0.000 0.000 0.220 439 R C 1.191 177.517 176.300 0.043 0.000 1.091 439 R CA 1.257 57.377 56.100 0.034 0.000 0.986 439 R CB -0.222 30.094 30.300 0.027 0.000 0.888 439 R HN 0.657 nan 8.270 nan 0.000 0.444 440 E N 0.194 120.423 120.200 0.049 0.000 2.474 440 E HA 0.086 4.436 4.350 0.000 0.000 0.195 440 E C 1.664 178.310 176.600 0.077 0.000 1.039 440 E CA 0.083 56.518 56.400 0.058 0.000 0.881 440 E CB 0.399 30.130 29.700 0.052 0.000 0.970 440 E HN 0.345 nan 8.360 nan 0.000 0.486 441 G N 2.596 111.447 108.800 0.086 0.000 2.553 441 G HA2 -0.377 3.583 3.960 0.000 0.000 0.218 441 G HA3 -0.377 3.583 3.960 0.000 0.000 0.218 441 G C 1.327 176.323 174.900 0.160 0.000 1.195 441 G CA 1.293 46.461 45.100 0.114 0.000 0.779 441 G HN 0.266 nan 8.290 nan 0.000 0.577 442 N N -0.320 118.494 118.700 0.190 0.000 2.223 442 N HA -0.082 4.658 4.740 0.000 0.000 0.185 442 N C 2.200 177.859 175.510 0.249 0.000 1.016 442 N CA 1.386 54.618 53.050 0.303 0.000 0.863 442 N CB -0.112 38.486 38.487 0.185 0.000 0.983 442 N HN 0.292 nan 8.380 nan 0.000 0.429 443 T N 0.927 115.568 114.554 0.144 0.000 2.857 443 T HA 0.038 4.389 4.350 0.000 0.000 0.266 443 T C 1.960 176.712 174.700 0.088 0.000 1.048 443 T CA 0.564 62.728 62.100 0.107 0.000 1.139 443 T CB -0.051 68.863 68.868 0.077 0.000 0.874 443 T HN 0.160 nan 8.240 nan 0.000 0.455 444 I N 0.916 121.535 120.570 0.082 0.000 2.179 444 I HA -0.143 4.027 4.170 0.000 0.000 0.242 444 I C 2.185 178.312 176.117 0.017 0.000 1.088 444 I CA 0.927 62.263 61.300 0.061 0.000 1.357 444 I CB -0.329 37.709 38.000 0.063 0.000 1.051 444 I HN 0.162 nan 8.210 nan 0.000 0.409 445 I N 0.454 121.020 120.570 -0.007 0.000 2.142 445 I HA -0.271 3.899 4.170 0.000 0.000 0.240 445 I C 2.672 178.671 176.117 -0.196 0.000 1.078 445 I CA 1.495 62.694 61.300 -0.168 0.000 1.343 445 I CB -1.283 36.541 38.000 -0.292 0.000 1.046 445 I HN 0.215 nan 8.210 nan 0.000 0.405 446 R N 1.370 121.852 120.500 -0.030 0.000 2.091 446 R HA -0.183 4.158 4.340 0.000 0.000 0.238 446 R C 2.154 178.433 176.300 -0.035 0.000 1.136 446 R CA 1.563 57.673 56.100 0.018 0.000 0.959 446 R CB -0.392 29.994 30.300 0.143 0.000 0.856 446 R HN 0.446 nan 8.270 nan 0.000 0.437 447 E N -0.761 119.437 120.200 -0.004 0.000 2.077 447 E HA -0.173 4.177 4.350 0.000 0.000 0.193 447 E C 1.913 178.474 176.600 -0.065 0.000 0.989 447 E CA 1.291 57.706 56.400 0.025 0.000 0.800 447 E CB -0.222 29.534 29.700 0.092 0.000 0.746 447 E HN 0.458 nan 8.360 nan 0.000 0.452 448 A N 1.301 124.005 122.820 -0.194 0.000 1.933 448 A HA -0.200 4.120 4.320 0.000 0.000 0.218 448 A C 2.452 179.485 177.584 -0.917 0.000 1.175 448 A CA 2.051 53.697 52.037 -0.652 0.000 0.628 448 A CB -1.166 17.544 19.000 -0.484 0.000 0.814 448 A HN 0.419 nan 8.150 nan 0.000 0.444 449 T N -2.099 112.152 114.554 -0.504 0.000 2.897 449 T HA -0.136 4.214 4.350 0.000 0.000 0.271 449 T C 1.629 176.151 174.700 -0.296 0.000 1.084 449 T CA 1.432 63.296 62.100 -0.394 0.000 1.123 449 T CB -0.261 68.459 68.868 -0.247 0.000 0.865 449 T HN 0.347 nan 8.240 nan 0.000 0.496 450 K N 0.842 121.102 120.400 -0.234 0.000 2.211 450 K HA -0.010 4.310 4.320 0.000 0.000 0.203 450 K C 1.923 178.536 176.600 0.021 0.000 1.050 450 K CA 1.212 57.464 56.287 -0.058 0.000 0.945 450 K CB -0.285 32.243 32.500 0.046 0.000 0.732 450 K HN 0.882 nan 8.250 nan 0.000 0.451 451 W N -0.611 120.686 121.300 -0.005 0.000 2.870 451 W HA 0.363 5.023 4.660 0.000 0.000 0.358 451 W C -0.037 176.482 176.519 0.001 0.000 1.043 451 W CA -0.468 56.878 57.345 0.001 0.000 1.692 451 W CB 0.040 29.499 29.460 -0.001 0.000 1.100 451 W HN -0.157 nan 8.180 nan 0.000 0.557 452 S N 2.545 117.998 115.700 -0.412 0.000 2.622 452 S HA 0.400 4.870 4.470 0.000 0.000 0.283 452 S C -1.689 172.787 174.600 -0.206 0.000 1.197 452 S CA -1.232 56.777 58.200 -0.318 0.000 1.146 452 S CB 1.383 64.144 63.200 -0.731 0.000 1.007 452 S HN -0.316 nan 8.310 nan 0.000 0.478 453 P HA -0.110 nan 4.420 nan 0.000 0.216 453 P C 0.926 178.129 177.300 -0.162 0.000 1.150 453 P CA 1.179 64.303 63.100 0.040 0.000 0.843 453 P CB 0.221 32.093 31.700 0.287 0.000 0.787 454 E N -0.852 119.262 120.200 -0.144 0.000 2.077 454 E HA -0.162 4.189 4.350 0.000 0.000 0.193 454 E C 1.846 178.291 176.600 -0.258 0.000 0.989 454 E CA 0.847 57.074 56.400 -0.288 0.000 0.800 454 E CB -1.201 28.406 29.700 -0.155 0.000 0.746 454 E HN 0.129 nan 8.360 nan 0.000 0.452 455 L N 0.447 121.504 121.223 -0.278 0.000 2.056 455 L HA -0.003 4.337 4.340 0.000 0.000 0.207 455 L C 2.052 178.724 176.870 -0.331 0.000 1.078 455 L CA 1.935 56.589 54.840 -0.311 0.000 0.749 455 L CB -0.909 40.905 42.059 -0.408 0.000 0.901 455 L HN 0.107 nan 8.230 nan 0.000 0.433 456 A N -0.123 122.508 122.820 -0.315 0.000 1.892 456 A HA -0.231 4.089 4.320 0.000 0.000 0.218 456 A C 2.478 179.889 177.584 -0.288 0.000 1.188 456 A CA 2.344 54.227 52.037 -0.257 0.000 0.631 456 A CB -1.350 17.544 19.000 -0.177 0.000 0.822 456 A HN 0.606 nan 8.150 nan 0.000 0.447 457 A N -0.437 122.125 122.820 -0.431 0.000 1.902 457 A HA 0.156 4.476 4.320 0.000 0.000 0.217 457 A C 2.517 179.712 177.584 -0.648 0.000 1.181 457 A CA 2.213 53.891 52.037 -0.598 0.000 0.623 457 A CB -1.018 17.317 19.000 -1.110 0.000 0.818 457 A HN 1.129 nan 8.150 nan 0.000 0.443 458 A N -1.097 121.376 122.820 -0.579 0.000 1.902 458 A HA -0.163 4.158 4.320 0.000 0.000 0.217 458 A C 2.310 179.752 177.584 -0.236 0.000 1.181 458 A CA 1.631 53.402 52.037 -0.443 0.000 0.623 458 A CB -1.284 17.707 19.000 -0.014 0.000 0.818 458 A HN 0.585 nan 8.150 nan 0.000 0.443 459 C N -0.583 118.587 119.300 -0.217 0.000 2.429 459 C HA -0.103 4.357 4.460 0.000 0.000 0.277 459 C C 2.657 177.743 174.990 0.160 0.000 1.262 459 C CA 1.202 60.186 59.018 -0.056 0.000 1.733 459 C CB -1.313 26.277 27.740 -0.251 0.000 2.010 459 C HN 0.694 nan 8.230 nan 0.000 0.483 460 E N 0.236 120.392 120.200 -0.073 0.000 2.033 460 E HA -0.215 4.135 4.350 0.000 0.000 0.199 460 E C 2.098 178.592 176.600 -0.177 0.000 1.011 460 E CA 1.717 58.056 56.400 -0.101 0.000 0.815 460 E CB -0.265 29.327 29.700 -0.179 0.000 0.755 460 E HN 0.475 nan 8.360 nan 0.000 0.451 461 V N 0.171 119.842 119.914 -0.405 0.000 2.407 461 V HA -0.202 3.918 4.120 0.000 0.000 0.248 461 V C 1.368 177.133 176.094 -0.550 0.000 1.055 461 V CA 1.315 63.224 62.300 -0.650 0.000 1.049 461 V CB -0.337 30.735 31.823 -1.252 0.000 0.662 461 V HN 0.435 nan 8.190 nan 0.000 0.455 462 W N -0.433 120.813 121.300 -0.090 0.000 2.991 462 W HA 0.340 5.000 4.660 0.000 0.000 0.391 462 W C 1.829 178.297 176.519 -0.085 0.000 1.054 462 W CA -0.888 56.336 57.345 -0.202 0.000 1.856 462 W CB -0.295 28.808 29.460 -0.594 0.000 1.132 462 W HN 0.267 nan 8.180 nan 0.000 0.601 463 K N 1.456 121.970 120.400 0.190 0.000 2.097 463 K HA -0.227 4.093 4.320 0.000 0.000 0.214 463 K C 0.738 177.154 176.600 -0.306 0.000 1.052 463 K CA 1.795 57.995 56.287 -0.146 0.000 0.932 463 K CB 0.239 32.675 32.500 -0.106 0.000 0.716 463 K HN -0.076 nan 8.250 nan 0.000 0.455 464 E N 0.526 120.636 120.200 -0.149 0.000 2.585 464 E HA 0.107 4.458 4.350 0.000 0.000 0.206 464 E C -0.523 176.020 176.600 -0.095 0.000 1.007 464 E CA -0.113 56.196 56.400 -0.151 0.000 1.028 464 E CB 0.528 30.145 29.700 -0.139 0.000 1.087 464 E HN 0.206 nan 8.360 nan 0.000 0.455 465 I N 1.779 122.330 120.570 -0.032 0.000 2.301 465 I HA 0.222 4.392 4.170 0.000 0.000 0.292 465 I C 0.242 176.347 176.117 -0.020 0.000 1.046 465 I CA -0.358 60.922 61.300 -0.034 0.000 1.282 465 I CB 0.274 38.310 38.000 0.060 0.000 1.409 465 I HN -0.249 nan 8.210 nan 0.000 0.484 466 K N 5.597 125.864 120.400 -0.222 0.000 2.400 466 K HA 0.687 5.007 4.320 0.000 0.000 0.246 466 K C -1.237 175.097 176.600 -0.443 0.000 0.995 466 K CA -0.367 55.837 56.287 -0.139 0.000 0.840 466 K CB 2.036 34.500 32.500 -0.060 0.000 1.293 466 K HN 0.174 nan 8.250 nan 0.000 0.445 467 F N 1.054 121.122 119.950 0.196 0.000 2.610 467 F HA 0.350 4.877 4.527 0.000 0.000 0.355 467 F C -0.688 175.220 175.800 0.181 0.000 1.140 467 F CA -0.475 57.662 58.000 0.228 0.000 1.037 467 F CB 1.683 40.825 39.000 0.236 0.000 1.287 467 F HN 0.313 nan 8.300 nan 0.000 0.457 468 E N 3.652 123.939 120.200 0.144 0.000 2.373 468 E HA 0.494 4.844 4.350 0.000 0.000 0.251 468 E C -1.298 175.212 176.600 -0.149 0.000 0.923 468 E CA -0.359 56.074 56.400 0.054 0.000 0.798 468 E CB 1.694 31.380 29.700 -0.024 0.000 1.303 468 E HN 0.303 nan 8.360 nan 0.000 0.412 469 F N 1.159 121.161 119.950 0.088 0.000 2.631 469 F HA 0.548 5.075 4.527 0.000 0.000 0.328 469 F C -1.922 173.911 175.800 0.056 0.000 1.067 469 F CA -2.221 55.820 58.000 0.068 0.000 0.969 469 F CB 0.802 39.847 39.000 0.075 0.000 1.332 469 F HN 0.217 nan 8.300 nan 0.000 0.490 470 P HA 0.437 nan 4.420 nan 0.000 0.281 470 P C -1.197 176.191 177.300 0.147 0.000 1.252 470 P CA -0.414 62.778 63.100 0.154 0.000 0.778 470 P CB 0.757 32.532 31.700 0.124 0.000 0.895 471 A N 3.006 125.895 122.820 0.114 0.000 2.371 471 A HA 0.295 4.615 4.320 0.000 0.000 0.257 471 A C 1.104 178.737 177.584 0.082 0.000 1.089 471 A CA -0.241 51.855 52.037 0.099 0.000 0.794 471 A CB 0.175 19.233 19.000 0.096 0.000 1.029 471 A HN 0.494 nan 8.150 nan 0.000 0.488 472 M N 0.358 120.001 119.600 0.071 0.000 2.394 472 M HA 0.080 4.560 4.480 0.000 0.000 0.266 472 M C 0.123 176.469 176.300 0.076 0.000 1.098 472 M CA 0.902 56.239 55.300 0.062 0.000 1.149 472 M CB -1.028 31.596 32.600 0.041 0.000 1.369 472 M HN 0.808 nan 8.290 nan 0.000 0.450 473 D N 1.655 122.112 120.400 0.094 0.000 2.440 473 D HA 0.348 4.988 4.640 0.000 0.000 0.239 473 D C -0.636 175.751 176.300 0.145 0.000 1.084 473 D CA -0.080 53.998 54.000 0.129 0.000 0.843 473 D CB 1.300 42.190 40.800 0.151 0.000 1.097 473 D HN 0.149 nan 8.370 nan 0.000 0.531 474 T N -0.356 114.275 114.554 0.127 0.000 2.883 474 T HA 0.624 4.975 4.350 0.000 0.000 0.284 474 T C 0.361 175.126 174.700 0.108 0.000 1.041 474 T CA -0.810 61.355 62.100 0.109 0.000 1.007 474 T CB 0.744 69.659 68.868 0.078 0.000 1.220 474 T HN 0.090 nan 8.240 nan 0.000 0.552 475 V N 0.000 119.960 119.914 0.077 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.333 62.300 0.056 0.000 1.235 475 V CB 0.000 31.834 31.823 0.018 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556