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 1rbo_1_H 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 0.000 177.595 177.584 0.018 0.000 1.274 9 A CA 0.000 52.044 52.037 0.012 0.000 0.836 9 A CB 0.000 19.004 19.000 0.007 0.000 0.831 10 S N 0.580 116.294 115.700 0.023 0.000 2.536 10 S HA 0.783 5.433 4.470 0.300 0.000 0.271 10 S C -0.546 174.076 174.600 0.036 0.000 1.134 10 S CA 0.124 58.344 58.200 0.033 0.000 0.897 10 S CB 1.552 64.778 63.200 0.043 0.000 1.094 10 S HN 2.202 nan 8.310 nan 0.000 0.473 11 V N 2.303 122.244 119.914 0.045 0.000 2.975 11 V HA 1.009 5.309 4.120 0.300 0.000 0.318 11 V C 0.854 176.991 176.094 0.072 0.000 1.077 11 V CA -0.030 62.297 62.300 0.045 0.000 1.000 11 V CB 0.896 32.741 31.823 0.036 0.000 1.066 11 V HN 1.040 nan 8.190 nan 0.000 0.452 12 G N 1.126 109.966 108.800 0.067 0.000 2.716 12 G HA2 0.315 4.455 3.960 0.300 0.000 0.251 12 G HA3 0.315 4.455 3.960 0.300 0.000 0.251 12 G C -0.801 174.199 174.900 0.167 0.000 1.224 12 G CA -0.167 44.992 45.100 0.098 0.000 0.891 12 G HN 1.113 nan 8.290 nan 0.000 0.561 13 F N 0.710 120.680 119.950 0.033 0.000 2.404 13 F HA 0.529 5.236 4.527 0.300 0.000 0.354 13 F C 0.163 175.980 175.800 0.027 0.000 1.122 13 F CA -1.461 56.570 58.000 0.051 0.000 1.080 13 F CB 1.363 40.422 39.000 0.099 0.000 1.131 13 F HN 0.260 nan 8.300 nan 0.000 0.471 14 K N 6.410 126.567 120.400 -0.405 0.000 2.425 14 K HA 0.664 5.164 4.320 0.300 0.000 0.259 14 K C -0.859 175.336 176.600 -0.674 0.000 0.978 14 K CA -0.527 55.462 56.287 -0.498 0.000 0.883 14 K CB 1.210 33.588 32.500 -0.204 0.000 1.110 14 K HN 0.847 nan 8.250 nan 0.000 0.436 15 A N 2.646 124.946 122.820 -0.867 0.000 2.425 15 A HA 0.605 5.105 4.320 0.300 0.000 0.242 15 A C 0.432 177.881 177.584 -0.226 0.000 1.077 15 A CA 0.786 52.521 52.037 -0.502 0.000 0.781 15 A CB 0.074 18.875 19.000 -0.331 0.000 1.020 15 A HN 1.034 nan 8.150 nan 0.000 0.494 16 G N -1.498 107.222 108.800 -0.135 0.000 2.340 16 G HA2 0.456 4.596 3.960 0.300 0.000 0.527 16 G HA3 0.456 4.596 3.960 0.300 0.000 0.527 16 G C -0.628 174.210 174.900 -0.105 0.000 1.381 16 G CA -0.165 44.875 45.100 -0.099 0.000 1.001 16 G HN 2.224 nan 8.290 nan 0.000 0.626 17 V N -0.454 119.419 119.914 -0.069 0.000 2.481 17 V HA 0.906 5.206 4.120 0.300 0.000 0.286 17 V C 0.047 176.097 176.094 -0.074 0.000 1.042 17 V CA -0.379 61.874 62.300 -0.078 0.000 0.928 17 V CB 1.171 33.001 31.823 0.012 0.000 0.986 17 V HN 0.880 nan 8.190 nan 0.000 0.462 18 K N 3.590 123.924 120.400 -0.109 0.000 2.395 18 K HA 0.507 5.007 4.320 0.300 0.000 0.247 18 K C -1.274 175.239 176.600 -0.145 0.000 0.973 18 K CA -0.995 55.239 56.287 -0.089 0.000 0.828 18 K CB 1.540 34.006 32.500 -0.056 0.000 1.272 18 K HN 0.691 nan 8.250 nan 0.000 0.439 19 D N 0.876 121.224 120.400 -0.087 0.000 2.443 19 D HA -0.012 4.808 4.640 0.300 0.000 0.239 19 D C 0.814 177.098 176.300 -0.026 0.000 1.136 19 D CA 0.425 54.378 54.000 -0.077 0.000 0.879 19 D CB 0.373 41.169 40.800 -0.006 0.000 1.195 19 D HN 0.422 nan 8.370 nan 0.000 0.443 20 Y N 1.220 121.557 120.300 0.062 0.000 2.274 20 Y HA -0.202 4.528 4.550 0.300 0.000 0.290 20 Y C 2.308 178.325 175.900 0.196 0.000 1.145 20 Y CA 1.179 59.365 58.100 0.143 0.000 1.203 20 Y CB -0.308 38.166 38.460 0.023 0.000 0.984 20 Y HN 0.465 nan 8.280 nan 0.000 0.533 21 K N 0.443 120.997 120.400 0.256 0.000 2.281 21 K HA -0.146 4.354 4.320 0.300 0.000 0.203 21 K C 1.559 178.281 176.600 0.203 0.000 1.046 21 K CA 1.605 58.026 56.287 0.224 0.000 0.938 21 K CB -0.699 31.867 32.500 0.110 0.000 0.737 21 K HN 0.347 nan 8.250 nan 0.000 0.458 22 L N 1.068 122.374 121.223 0.139 0.000 2.201 22 L HA -0.091 4.429 4.340 0.300 0.000 0.212 22 L C 1.641 178.530 176.870 0.032 0.000 1.105 22 L CA 1.340 56.226 54.840 0.076 0.000 0.775 22 L CB -0.358 41.726 42.059 0.042 0.000 0.913 22 L HN 0.336 nan 8.230 nan 0.000 0.440 23 T N -3.131 111.437 114.554 0.023 0.000 2.987 23 T HA 0.058 4.588 4.350 0.300 0.000 0.248 23 T C 1.040 175.522 174.700 -0.364 0.000 0.997 23 T CA 0.196 62.163 62.100 -0.223 0.000 1.013 23 T CB 0.140 68.764 68.868 -0.406 0.000 1.077 23 T HN 0.133 nan 8.240 nan 0.000 0.483 24 Y N -0.196 120.165 120.300 0.101 0.000 2.458 24 Y HA 0.408 5.138 4.550 0.300 0.000 0.256 24 Y C 0.107 176.082 175.900 0.125 0.000 1.159 24 Y CA -1.111 57.039 58.100 0.083 0.000 1.261 24 Y CB 0.364 38.876 38.460 0.086 0.000 1.119 24 Y HN 0.163 nan 8.280 nan 0.000 0.524 25 Y N 0.837 121.203 120.300 0.111 0.000 2.353 25 Y HA 0.484 5.214 4.550 0.300 0.000 0.340 25 Y C -0.225 175.709 175.900 0.057 0.000 0.972 25 Y CA -1.133 57.011 58.100 0.073 0.000 1.157 25 Y CB 1.227 39.717 38.460 0.050 0.000 1.157 25 Y HN -0.186 nan 8.280 nan 0.000 0.495 26 T N 9.689 124.054 114.554 -0.314 0.000 3.542 26 T HA 0.187 4.717 4.350 0.300 0.000 0.276 26 T C -1.954 172.628 174.700 -0.197 0.000 1.412 26 T CA -0.942 61.020 62.100 -0.231 0.000 1.664 26 T CB 0.509 69.316 68.868 -0.101 0.000 0.863 26 T HN 0.528 nan 8.240 nan 0.000 0.661 27 P HA -0.041 nan 4.420 nan 0.000 0.225 27 P C 0.756 178.062 177.300 0.010 0.000 1.148 27 P CA 0.923 63.909 63.100 -0.190 0.000 0.779 27 P CB 0.483 32.008 31.700 -0.291 0.000 0.780 28 E N -1.465 118.736 120.200 0.000 0.000 2.479 28 E HA 0.001 4.531 4.350 0.300 0.000 0.193 28 E C 0.348 176.989 176.600 0.067 0.000 1.049 28 E CA -0.522 55.897 56.400 0.031 0.000 0.870 28 E CB -0.712 28.992 29.700 0.006 0.000 0.944 28 E HN 0.373 nan 8.360 nan 0.000 0.492 29 Y N 2.466 122.751 120.300 -0.025 0.000 2.526 29 Y HA 0.026 4.756 4.550 0.300 0.000 0.330 29 Y C -0.002 175.837 175.900 -0.102 0.000 1.156 29 Y CA -0.143 57.924 58.100 -0.055 0.000 1.419 29 Y CB 0.456 38.891 38.460 -0.043 0.000 1.250 29 Y HN -0.180 nan 8.280 nan 0.000 0.540 30 E N 3.766 123.521 120.200 -0.741 0.000 2.134 30 E HA 0.215 4.745 4.350 0.300 0.000 0.278 30 E C -0.342 175.584 176.600 -1.123 0.000 0.959 30 E CA -0.755 55.248 56.400 -0.661 0.000 0.783 30 E CB 0.804 30.266 29.700 -0.396 0.000 1.095 30 E HN 0.697 nan 8.360 nan 0.000 0.399 31 T N 0.942 115.009 114.554 -0.813 0.000 2.926 31 T HA 0.245 4.775 4.350 0.300 0.000 0.307 31 T C 0.360 174.846 174.700 -0.357 0.000 1.059 31 T CA -0.538 61.202 62.100 -0.600 0.000 1.122 31 T CB 0.406 69.026 68.868 -0.413 0.000 0.972 31 T HN 0.250 nan 8.240 nan 0.000 0.545 32 L N 1.947 123.052 121.223 -0.198 0.000 2.399 32 L HA 0.342 4.862 4.340 0.300 0.000 0.265 32 L C 1.106 177.933 176.870 -0.072 0.000 1.089 32 L CA -1.006 53.768 54.840 -0.111 0.000 0.802 32 L CB 0.608 42.646 42.059 -0.036 0.000 1.180 32 L HN 0.665 nan 8.230 nan 0.000 0.454 33 D N -0.313 120.055 120.400 -0.054 0.000 2.371 33 D HA -0.085 4.735 4.640 0.300 0.000 0.221 33 D C 1.686 177.973 176.300 -0.022 0.000 0.986 33 D CA 1.100 55.077 54.000 -0.038 0.000 0.899 33 D CB 0.160 40.943 40.800 -0.028 0.000 0.902 33 D HN 0.715 nan 8.370 nan 0.000 0.530 34 T N -2.661 111.889 114.554 -0.007 0.000 3.060 34 T HA 0.045 4.575 4.350 0.300 0.000 0.249 34 T C 0.538 175.252 174.700 0.024 0.000 1.079 34 T CA -0.477 61.633 62.100 0.016 0.000 1.013 34 T CB 0.473 69.360 68.868 0.031 0.000 0.975 34 T HN -0.231 nan 8.240 nan 0.000 0.518 35 D N 1.542 121.955 120.400 0.022 0.000 2.341 35 D HA 0.389 5.209 4.640 0.300 0.000 0.245 35 D C -0.316 175.984 176.300 0.001 0.000 1.106 35 D CA -0.534 53.501 54.000 0.059 0.000 0.905 35 D CB 0.870 41.718 40.800 0.081 0.000 1.202 35 D HN 0.155 nan 8.370 nan 0.000 0.426 36 I N 1.935 122.530 120.570 0.042 0.000 2.342 36 I HA 0.156 4.506 4.170 0.300 0.000 0.291 36 I C -0.048 176.112 176.117 0.070 0.000 1.010 36 I CA -0.168 61.086 61.300 -0.076 0.000 1.308 36 I CB 0.632 38.458 38.000 -0.289 0.000 1.400 36 I HN 0.057 nan 8.210 nan 0.000 0.488 37 L N 6.182 127.323 121.223 -0.135 0.000 2.325 37 L HA 0.869 5.389 4.340 0.300 0.000 0.278 37 L C -0.048 176.740 176.870 -0.137 0.000 1.023 37 L CA -0.750 54.017 54.840 -0.121 0.000 0.811 37 L CB 1.543 43.328 42.059 -0.457 0.000 1.249 37 L HN 0.649 nan 8.230 nan 0.000 0.431 38 A N 2.122 125.071 122.820 0.214 0.000 2.371 38 A HA 0.867 5.367 4.320 0.300 0.000 0.311 38 A C -0.660 177.046 177.584 0.204 0.000 1.068 38 A CA -0.545 51.583 52.037 0.152 0.000 0.744 38 A CB 1.705 20.768 19.000 0.105 0.000 1.239 38 A HN 0.746 nan 8.150 nan 0.000 0.435 39 A N 1.948 124.765 122.820 -0.005 0.000 2.277 39 A HA 0.712 5.212 4.320 0.300 0.000 0.318 39 A C -1.135 176.172 177.584 -0.460 0.000 1.339 39 A CA -0.262 51.549 52.037 -0.376 0.000 0.875 39 A CB -0.225 18.343 19.000 -0.721 0.000 1.158 39 A HN 0.610 nan 8.150 nan 0.000 0.514 40 F N 1.271 121.063 119.950 -0.262 0.000 2.420 40 F HA 0.485 5.192 4.527 0.300 0.000 0.342 40 F C 0.962 176.641 175.800 -0.202 0.000 1.113 40 F CA -0.342 57.542 58.000 -0.193 0.000 1.059 40 F CB 1.722 40.635 39.000 -0.145 0.000 1.128 40 F HN 0.597 nan 8.300 nan 0.000 0.475 41 R N 3.766 124.293 120.500 0.045 0.000 2.235 41 R HA 0.524 5.045 4.340 0.300 0.000 0.338 41 R C -1.662 174.659 176.300 0.035 0.000 1.087 41 R CA -0.245 55.867 56.100 0.019 0.000 0.948 41 R CB 0.304 30.613 30.300 0.015 0.000 1.099 41 R HN 0.534 nan 8.270 nan 0.000 0.483 42 V N 3.259 123.196 119.914 0.039 0.000 2.427 42 V HA 0.287 4.587 4.120 0.300 0.000 0.286 42 V C -0.116 176.019 176.094 0.068 0.000 1.034 42 V CA -0.523 61.783 62.300 0.011 0.000 0.893 42 V CB 1.814 33.622 31.823 -0.025 0.000 0.982 42 V HN 0.705 nan 8.190 nan 0.000 0.452 43 S N 6.480 122.205 115.700 0.041 0.000 2.622 43 S HA 0.464 5.114 4.470 0.300 0.000 0.283 43 S C -2.613 172.013 174.600 0.043 0.000 1.197 43 S CA -0.986 57.250 58.200 0.060 0.000 1.146 43 S CB 1.311 64.542 63.200 0.051 0.000 1.007 43 S HN 0.588 nan 8.310 nan 0.000 0.478 44 P HA 0.194 nan 4.420 nan 0.000 0.274 44 P C -0.231 177.076 177.300 0.012 0.000 1.237 44 P CA -0.608 62.495 63.100 0.005 0.000 0.793 44 P CB 0.505 32.196 31.700 -0.015 0.000 0.977 45 Q N 1.190 120.985 119.800 -0.009 0.000 2.417 45 Q HA 0.229 4.749 4.340 0.300 0.000 0.241 45 Q C -2.036 173.963 176.000 -0.002 0.000 1.008 45 Q CA -1.496 54.305 55.803 -0.002 0.000 0.901 45 Q CB -0.755 27.978 28.738 -0.009 0.000 1.259 45 Q HN 0.322 nan 8.270 nan 0.000 0.489 46 P HA -0.000 nan 4.420 nan 0.000 0.265 46 P C 0.412 177.709 177.300 -0.006 0.000 1.193 46 P CA 1.038 64.140 63.100 0.004 0.000 0.765 46 P CB 0.318 32.020 31.700 0.004 0.000 0.823 47 G N 1.244 110.039 108.800 -0.008 0.000 2.176 47 G HA2 -0.197 3.943 3.960 0.300 0.000 0.253 47 G HA3 -0.197 3.943 3.960 0.300 0.000 0.253 47 G C -0.055 174.825 174.900 -0.033 0.000 0.979 47 G CA -0.166 44.924 45.100 -0.017 0.000 0.641 47 G HN 0.523 nan 8.290 nan 0.000 0.530 48 V N 2.504 122.392 119.914 -0.042 0.000 2.347 48 V HA 0.477 4.777 4.120 0.300 0.000 0.280 48 V C -1.657 174.377 176.094 -0.100 0.000 1.021 48 V CA -1.632 60.625 62.300 -0.072 0.000 0.847 48 V CB 1.535 33.307 31.823 -0.083 0.000 0.990 48 V HN 0.144 nan 8.190 nan 0.000 0.444 49 P HA 0.177 nan 4.420 nan 0.000 0.268 49 P C -1.881 175.249 177.300 -0.283 0.000 1.205 49 P CA -1.382 61.611 63.100 -0.179 0.000 0.771 49 P CB 0.248 31.851 31.700 -0.162 0.000 0.858 50 P HA -0.195 nan 4.420 nan 0.000 0.218 50 P C 0.873 177.871 177.300 -0.504 0.000 1.148 50 P CA 1.598 64.318 63.100 -0.634 0.000 0.822 50 P CB 0.190 31.128 31.700 -1.271 0.000 0.784 51 E N -0.045 119.839 120.200 -0.526 0.000 2.106 51 E HA -0.181 4.349 4.350 0.300 0.000 0.192 51 E C 2.097 178.440 176.600 -0.429 0.000 0.984 51 E CA 1.054 57.029 56.400 -0.710 0.000 0.806 51 E CB -0.643 28.503 29.700 -0.924 0.000 0.750 51 E HN 0.276 nan 8.360 nan 0.000 0.458 52 E N 0.469 120.499 120.200 -0.282 0.000 2.107 52 E HA -0.010 4.520 4.350 0.300 0.000 0.191 52 E C 1.842 178.326 176.600 -0.192 0.000 0.982 52 E CA 1.183 57.491 56.400 -0.153 0.000 0.809 52 E CB -0.286 29.352 29.700 -0.103 0.000 0.756 52 E HN 0.198 nan 8.360 nan 0.000 0.459 53 A N 0.235 122.906 122.820 -0.247 0.000 1.877 53 A HA -0.028 4.472 4.320 0.300 0.000 0.216 53 A C 2.465 179.871 177.584 -0.296 0.000 1.186 53 A CA 1.776 53.644 52.037 -0.282 0.000 0.620 53 A CB -1.349 17.508 19.000 -0.239 0.000 0.822 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 G N -0.629 108.018 108.800 -0.255 0.000 2.422 54 G HA2 0.029 4.169 3.960 0.300 0.000 0.218 54 G HA3 0.029 4.169 3.960 0.300 0.000 0.218 54 G C 1.711 176.519 174.900 -0.154 0.000 1.146 54 G CA 1.399 46.382 45.100 -0.196 0.000 0.769 54 G HN 0.793 nan 8.290 nan 0.000 0.547 55 A N 1.096 123.849 122.820 -0.112 0.000 1.930 55 A HA 0.329 4.829 4.320 0.300 0.000 0.217 55 A C 2.792 180.225 177.584 -0.253 0.000 1.175 55 A CA 2.076 54.109 52.037 -0.007 0.000 0.627 55 A CB -0.684 18.400 19.000 0.141 0.000 0.815 55 A HN 0.716 nan 8.150 nan 0.000 0.443 56 A N -0.514 122.022 122.820 -0.474 0.000 1.902 56 A HA 0.006 4.506 4.320 0.300 0.000 0.217 56 A C 2.225 179.447 177.584 -0.604 0.000 1.181 56 A CA 1.743 53.165 52.037 -1.024 0.000 0.623 56 A CB -0.925 17.411 19.000 -1.106 0.000 0.818 56 A HN 0.361 nan 8.150 nan 0.000 0.443 57 V N -0.119 119.552 119.914 -0.406 0.000 2.295 57 V HA -0.265 4.035 4.120 0.300 0.000 0.246 57 V C 3.070 179.029 176.094 -0.225 0.000 1.049 57 V CA 2.037 64.148 62.300 -0.315 0.000 1.024 57 V CB -1.214 30.279 31.823 -0.552 0.000 0.648 57 V HN 0.620 nan 8.190 nan 0.000 0.447 58 A N -0.234 122.463 122.820 -0.205 0.000 1.902 58 A HA -0.100 4.400 4.320 0.300 0.000 0.217 58 A C 2.404 179.867 177.584 -0.200 0.000 1.181 58 A CA 2.128 54.098 52.037 -0.111 0.000 0.623 58 A CB -0.749 18.236 19.000 -0.026 0.000 0.818 58 A HN 0.567 nan 8.150 nan 0.000 0.443 59 A N -0.152 122.335 122.820 -0.554 0.000 1.855 59 A HA -0.134 4.366 4.320 0.300 0.000 0.215 59 A C 1.980 179.334 177.584 -0.383 0.000 1.191 59 A CA 2.051 53.489 52.037 -0.999 0.000 0.613 59 A CB -0.565 17.667 19.000 -1.280 0.000 0.829 59 A HN 0.529 nan 8.150 nan 0.000 0.442 60 E N 0.816 120.875 120.200 -0.236 0.000 2.265 60 E HA -0.112 4.418 4.350 0.300 0.000 0.196 60 E C 1.712 178.302 176.600 -0.018 0.000 0.996 60 E CA 1.532 57.897 56.400 -0.059 0.000 0.832 60 E CB -0.261 29.453 29.700 0.023 0.000 0.756 60 E HN 0.625 nan 8.360 nan 0.000 0.491 61 S N -1.504 114.221 115.700 0.041 0.000 2.577 61 S HA 0.168 4.818 4.470 0.300 0.000 0.219 61 S C 1.221 175.943 174.600 0.204 0.000 0.962 61 S CA 0.245 58.534 58.200 0.147 0.000 0.921 61 S CB 0.223 63.591 63.200 0.281 0.000 0.789 61 S HN 0.277 nan 8.310 nan 0.000 0.497 62 S N 1.420 117.205 115.700 0.141 0.000 4.207 62 S HA 0.159 4.809 4.470 0.300 0.000 0.177 62 S C 1.418 176.066 174.600 0.081 0.000 0.981 62 S CA 0.574 58.868 58.200 0.157 0.000 1.097 62 S CB -0.244 63.116 63.200 0.268 0.000 1.525 62 S HN 0.514 nan 8.310 nan 0.000 0.686 63 T N -1.057 113.563 114.554 0.111 0.000 2.969 63 T HA 0.474 5.004 4.350 0.300 0.000 0.258 63 T C 0.914 175.678 174.700 0.108 0.000 0.962 63 T CA 0.408 62.573 62.100 0.108 0.000 0.903 63 T CB -0.013 68.968 68.868 0.188 0.000 1.177 63 T HN 0.699 nan 8.240 nan 0.000 0.511 64 G N 0.388 109.234 108.800 0.077 0.000 2.502 64 G HA2 0.555 4.695 3.960 0.300 0.000 0.305 64 G HA3 0.555 4.695 3.960 0.300 0.000 0.305 64 G C -0.801 174.168 174.900 0.116 0.000 1.190 64 G CA -0.189 44.976 45.100 0.109 0.000 0.933 64 G HN 0.323 nan 8.290 nan 0.000 0.503 65 T N -1.481 113.172 114.554 0.165 0.000 2.669 65 T HA 0.400 4.930 4.350 0.300 0.000 0.283 65 T C 0.613 175.464 174.700 0.252 0.000 1.019 65 T CA -0.405 61.821 62.100 0.210 0.000 1.039 65 T CB 0.833 69.766 68.868 0.109 0.000 1.374 65 T HN 0.691 nan 8.240 nan 0.000 0.523 66 W N 0.885 122.289 121.300 0.172 0.000 2.699 66 W HA 0.278 5.118 4.660 0.300 0.000 0.249 66 W C 0.284 176.791 176.519 -0.020 0.000 1.280 66 W CA 0.544 57.946 57.345 0.095 0.000 1.345 66 W CB -1.075 28.465 29.460 0.134 0.000 1.128 66 W HN 0.555 nan 8.180 nan 0.000 0.642 67 T N 0.752 114.860 114.554 -0.744 0.000 2.864 67 T HA 0.337 4.867 4.350 0.300 0.000 0.299 67 T C -0.488 173.995 174.700 -0.362 0.000 1.166 67 T CA -0.343 61.351 62.100 -0.676 0.000 1.007 67 T CB 1.791 69.911 68.868 -1.247 0.000 1.219 67 T HN -0.216 nan 8.240 nan 0.000 0.506 68 T N 2.497 116.945 114.554 -0.177 0.000 2.870 68 T HA 0.465 4.995 4.350 0.300 0.000 0.300 68 T C 0.137 174.909 174.700 0.120 0.000 0.989 68 T CA -0.361 61.744 62.100 0.009 0.000 1.139 68 T CB 0.146 69.065 68.868 0.085 0.000 0.920 68 T HN 0.675 nan 8.240 nan 0.000 0.537 69 V N 3.148 123.087 119.914 0.042 0.000 2.555 69 V HA 0.472 4.772 4.120 0.300 0.000 0.302 69 V C 1.174 177.091 176.094 -0.295 0.000 1.038 69 V CA -1.197 61.036 62.300 -0.112 0.000 0.887 69 V CB 1.337 33.013 31.823 -0.245 0.000 0.991 69 V HN 1.046 nan 8.190 nan 0.000 0.434 70 W N 2.829 123.644 121.300 -0.808 0.000 2.392 70 W HA -0.122 4.718 4.660 0.300 0.000 0.279 70 W C 1.423 177.696 176.519 -0.411 0.000 1.225 70 W CA 1.586 58.318 57.345 -1.022 0.000 1.233 70 W CB -1.682 26.883 29.460 -1.491 0.000 1.122 70 W HN 0.765 nan 8.180 nan 0.000 0.561 71 T N -1.069 112.779 114.554 -1.177 0.000 2.977 71 T HA -0.212 4.318 4.350 0.300 0.000 0.271 71 T C 1.073 175.531 174.700 -0.403 0.000 1.105 71 T CA 1.604 63.109 62.100 -0.991 0.000 1.116 71 T CB -0.591 67.636 68.868 -1.069 0.000 0.878 71 T HN -0.074 nan 8.240 nan 0.000 0.509 72 D N 1.947 122.189 120.400 -0.262 0.000 2.178 72 D HA 0.003 4.823 4.640 0.300 0.000 0.201 72 D C 2.282 178.552 176.300 -0.051 0.000 0.980 72 D CA 1.212 55.145 54.000 -0.111 0.000 0.842 72 D CB -0.831 39.944 40.800 -0.042 0.000 0.948 72 D HN 0.605 nan 8.370 nan 0.000 0.472 73 G N -0.141 108.642 108.800 -0.028 0.000 2.679 73 G HA2 -0.095 4.045 3.960 0.300 0.000 0.212 73 G HA3 -0.095 4.045 3.960 0.300 0.000 0.212 73 G C 1.498 176.419 174.900 0.034 0.000 1.137 73 G CA -0.010 45.110 45.100 0.033 0.000 0.787 73 G HN 0.272 nan 8.290 nan 0.000 0.534 74 L N 0.589 121.808 121.223 -0.007 0.000 2.341 74 L HA 0.141 4.661 4.340 0.300 0.000 0.214 74 L C 1.437 178.311 176.870 0.007 0.000 1.115 74 L CA 0.610 55.453 54.840 0.005 0.000 0.820 74 L CB -0.228 41.809 42.059 -0.036 0.000 0.944 74 L HN 0.189 nan 8.230 nan 0.000 0.452 75 T N -3.041 111.517 114.554 0.008 0.000 2.804 75 T HA 0.246 4.776 4.350 0.300 0.000 0.272 75 T C -0.360 174.392 174.700 0.087 0.000 0.986 75 T CA -0.652 61.487 62.100 0.064 0.000 0.999 75 T CB 1.344 70.262 68.868 0.083 0.000 1.307 75 T HN -0.171 nan 8.240 nan 0.000 0.586 76 N N 0.673 119.462 118.700 0.149 0.000 2.707 76 N HA 0.231 5.151 4.740 0.300 0.000 0.235 76 N C 0.300 175.877 175.510 0.111 0.000 1.028 76 N CA -0.675 52.422 53.050 0.080 0.000 0.906 76 N CB 0.439 38.938 38.487 0.020 0.000 1.131 76 N HN 0.495 nan 8.380 nan 0.000 0.509 77 L N 2.262 123.535 121.223 0.084 0.000 2.191 77 L HA -0.058 4.462 4.340 0.300 0.000 0.212 77 L C 1.237 178.112 176.870 0.009 0.000 1.103 77 L CA 1.491 56.383 54.840 0.085 0.000 0.769 77 L CB -0.158 41.917 42.059 0.027 0.000 0.908 77 L HN 0.482 nan 8.230 nan 0.000 0.438 78 D N -0.495 119.878 120.400 -0.045 0.000 2.178 78 D HA -0.188 4.633 4.640 0.300 0.000 0.201 78 D C 2.121 178.348 176.300 -0.122 0.000 0.980 78 D CA 1.158 55.105 54.000 -0.087 0.000 0.842 78 D CB -0.066 40.690 40.800 -0.074 0.000 0.948 78 D HN 0.518 nan 8.370 nan 0.000 0.472 79 R N -0.755 119.628 120.500 -0.196 0.000 2.276 79 R HA -0.006 4.514 4.340 0.300 0.000 0.196 79 R C 0.997 177.033 176.300 -0.441 0.000 0.961 79 R CA 0.574 56.465 56.100 -0.348 0.000 1.024 79 R CB -0.208 29.803 30.300 -0.481 0.000 0.940 79 R HN 0.208 nan 8.270 nan 0.000 0.480 80 Y N 2.110 122.401 120.300 -0.014 0.000 2.535 80 Y HA 0.190 4.920 4.550 0.300 0.000 0.266 80 Y C 0.457 176.370 175.900 0.021 0.000 1.088 80 Y CA -0.587 57.511 58.100 -0.003 0.000 1.285 80 Y CB 0.312 38.766 38.460 -0.010 0.000 1.166 80 Y HN -0.008 nan 8.280 nan 0.000 0.525 81 K N 1.246 121.734 120.400 0.145 0.000 2.414 81 K HA 0.326 4.826 4.320 0.300 0.000 0.272 81 K C 0.582 177.248 176.600 0.110 0.000 0.993 81 K CA 0.125 56.515 56.287 0.172 0.000 0.964 81 K CB 0.582 33.125 32.500 0.070 0.000 0.925 81 K HN 0.130 nan 8.250 nan 0.000 0.487 82 G N 2.238 111.147 108.800 0.183 0.000 2.503 82 G HA2 0.323 4.463 3.960 0.300 0.000 0.257 82 G HA3 0.323 4.463 3.960 0.300 0.000 0.257 82 G C -0.855 174.058 174.900 0.022 0.000 1.214 82 G CA -0.963 44.120 45.100 -0.029 0.000 0.839 82 G HN 0.641 nan 8.290 nan 0.000 0.559 83 R N 0.019 120.455 120.500 -0.107 0.000 2.538 83 R HA 0.314 4.834 4.340 0.300 0.000 0.292 83 R C -1.223 175.140 176.300 0.106 0.000 1.008 83 R CA -0.650 55.436 56.100 -0.022 0.000 0.896 83 R CB 1.925 32.073 30.300 -0.254 0.000 1.187 83 R HN 0.535 nan 8.270 nan 0.000 0.440 84 C N 4.921 124.318 119.300 0.161 0.000 2.349 84 C HA 0.277 4.917 4.460 0.300 0.000 0.348 84 C C 0.955 176.090 174.990 0.241 0.000 1.223 84 C CA -0.470 58.667 59.018 0.198 0.000 1.746 84 C CB -1.120 26.755 27.740 0.224 0.000 2.360 84 C HN 0.996 nan 8.230 nan 0.000 0.533 85 Y N 2.974 123.407 120.300 0.221 0.000 2.444 85 Y HA 0.473 5.204 4.550 0.300 0.000 0.249 85 Y C 0.678 176.755 175.900 0.296 0.000 1.134 85 Y CA -0.198 58.021 58.100 0.197 0.000 1.261 85 Y CB -0.446 38.179 38.460 0.274 0.000 1.143 85 Y HN 0.787 nan 8.280 nan 0.000 0.523 86 H N 0.177 119.160 119.070 -0.144 0.000 3.085 86 H HA 0.559 5.295 4.556 0.300 0.000 0.356 86 H C -2.012 173.428 175.328 0.187 0.000 1.178 86 H CA -0.879 55.173 56.048 0.007 0.000 1.214 86 H CB 1.997 31.648 29.762 -0.186 0.000 1.881 86 H HN 0.122 nan 8.280 nan 0.000 0.538 87 I N 3.844 124.179 120.570 -0.392 0.000 2.619 87 I HA 0.223 4.573 4.170 0.300 0.000 0.292 87 I C -0.953 174.990 176.117 -0.289 0.000 1.100 87 I CA -0.585 60.599 61.300 -0.194 0.000 1.043 87 I CB 2.414 40.355 38.000 -0.098 0.000 1.239 87 I HN 0.572 nan 8.210 nan 0.000 0.420 88 E N 6.176 126.370 120.200 -0.011 0.000 2.308 88 E HA 0.588 5.118 4.350 0.300 0.000 0.275 88 E C -2.988 173.716 176.600 0.173 0.000 0.890 88 E CA -2.205 54.243 56.400 0.079 0.000 0.754 88 E CB 2.455 32.243 29.700 0.146 0.000 1.207 88 E HN 0.103 nan 8.360 nan 0.000 0.426 89 P HA 0.054 nan 4.420 nan 0.000 0.272 89 P C -0.664 176.597 177.300 -0.065 0.000 1.223 89 P CA -0.473 62.594 63.100 -0.055 0.000 0.784 89 P CB 0.733 32.407 31.700 -0.044 0.000 0.923 90 V N 2.071 121.892 119.914 -0.156 0.000 2.407 90 V HA 0.438 4.738 4.120 0.300 0.000 0.278 90 V C 0.601 176.654 176.094 -0.070 0.000 1.037 90 V CA -0.671 61.587 62.300 -0.071 0.000 0.900 90 V CB 0.726 32.507 31.823 -0.070 0.000 0.983 90 V HN 0.670 nan 8.190 nan 0.000 0.459 91 A N 3.913 126.716 122.820 -0.028 0.000 2.477 91 A HA 0.546 5.047 4.320 0.300 0.000 0.246 91 A C 1.310 178.880 177.584 -0.023 0.000 1.078 91 A CA 0.459 52.482 52.037 -0.023 0.000 0.770 91 A CB -0.193 18.803 19.000 -0.007 0.000 1.011 91 A HN 2.181 nan 8.150 nan 0.000 0.494 92 G N 0.631 109.416 108.800 -0.025 0.000 2.295 92 G HA2 -0.024 4.117 3.960 0.300 0.000 0.287 92 G HA3 -0.024 4.117 3.960 0.300 0.000 0.287 92 G C -0.226 174.660 174.900 -0.023 0.000 1.055 92 G CA 0.828 45.917 45.100 -0.018 0.000 0.922 92 G HN 1.178 nan 8.290 nan 0.000 0.503 93 E N -0.631 119.542 120.200 -0.045 0.000 2.335 93 E HA 0.485 5.015 4.350 0.300 0.000 0.280 93 E C -0.845 175.708 176.600 -0.079 0.000 0.918 93 E CA -0.828 55.541 56.400 -0.052 0.000 0.765 93 E CB 1.012 30.679 29.700 -0.056 0.000 1.218 93 E HN 0.064 nan 8.360 nan 0.000 0.425 94 E N 2.588 122.753 120.200 -0.059 0.000 2.194 94 E HA 0.169 4.699 4.350 0.300 0.000 0.284 94 E C -0.408 176.143 176.600 -0.083 0.000 1.035 94 E CA -0.167 56.197 56.400 -0.061 0.000 0.836 94 E CB 0.548 30.231 29.700 -0.028 0.000 1.070 94 E HN 0.633 nan 8.360 nan 0.000 0.401 95 N N 3.130 121.759 118.700 -0.118 0.000 2.699 95 N HA -0.273 4.647 4.740 0.300 0.000 0.256 95 N C -1.025 174.394 175.510 -0.152 0.000 0.993 95 N CA 0.949 53.937 53.050 -0.103 0.000 0.759 95 N CB -0.549 37.954 38.487 0.027 0.000 0.906 95 N HN 0.545 nan 8.380 nan 0.000 0.541 96 Q N 0.653 120.207 119.800 -0.410 0.000 2.372 96 Q HA 0.565 5.085 4.340 0.300 0.000 0.273 96 Q C -1.467 174.178 176.000 -0.592 0.000 1.078 96 Q CA -0.742 54.891 55.803 -0.284 0.000 0.806 96 Q CB 1.111 29.767 28.738 -0.136 0.000 1.332 96 Q HN 0.302 nan 8.270 nan 0.000 0.435 97 Y N 1.483 121.771 120.300 -0.020 0.000 2.553 97 Y HA 0.482 5.212 4.550 0.300 0.000 0.347 97 Y C -0.447 175.435 175.900 -0.029 0.000 1.019 97 Y CA -1.112 56.974 58.100 -0.023 0.000 1.032 97 Y CB 1.491 39.923 38.460 -0.048 0.000 1.284 97 Y HN 0.465 nan 8.280 nan 0.000 0.466 98 I N 2.376 123.024 120.570 0.130 0.000 2.312 98 I HA 0.241 4.591 4.170 0.300 0.000 0.290 98 I C -0.640 175.465 176.117 -0.020 0.000 1.008 98 I CA -0.602 60.701 61.300 0.004 0.000 1.226 98 I CB 0.330 38.343 38.000 0.022 0.000 1.371 98 I HN 0.588 nan 8.210 nan 0.000 0.468 99 C N 7.186 126.449 119.300 -0.062 0.000 2.303 99 C HA 0.476 5.116 4.460 0.300 0.000 0.326 99 C C -0.085 174.863 174.990 -0.069 0.000 1.285 99 C CA -0.685 58.328 59.018 -0.008 0.000 1.675 99 C CB 0.160 27.902 27.740 0.004 0.000 2.289 99 C HN 0.499 nan 8.230 nan 0.000 0.512 100 Y N 1.927 122.218 120.300 -0.015 0.000 2.326 100 Y HA 0.556 5.286 4.550 0.300 0.000 0.337 100 Y C 0.304 176.131 175.900 -0.123 0.000 1.023 100 Y CA -0.358 57.701 58.100 -0.069 0.000 1.143 100 Y CB 0.896 39.135 38.460 -0.368 0.000 1.183 100 Y HN 0.396 nan 8.280 nan 0.000 0.485 101 V N 3.041 123.139 119.914 0.306 0.000 2.604 101 V HA 0.804 5.104 4.120 0.300 0.000 0.305 101 V C -0.342 175.918 176.094 0.276 0.000 1.043 101 V CA -1.086 61.357 62.300 0.239 0.000 0.888 101 V CB 1.660 33.574 31.823 0.151 0.000 0.995 101 V HN 0.850 nan 8.190 nan 0.000 0.429 102 A N 4.146 127.079 122.820 0.188 0.000 2.304 102 A HA 0.859 5.360 4.320 0.300 0.000 0.323 102 A C -1.470 176.017 177.584 -0.161 0.000 1.195 102 A CA -0.370 51.734 52.037 0.112 0.000 0.826 102 A CB 0.603 19.699 19.000 0.159 0.000 1.184 102 A HN 0.741 nan 8.150 nan 0.000 0.496 103 Y N 2.344 122.767 120.300 0.206 0.000 2.331 103 Y HA 0.429 5.159 4.550 0.300 0.000 0.334 103 Y C -2.358 173.677 175.900 0.227 0.000 0.960 103 Y CA -2.349 55.895 58.100 0.239 0.000 1.130 103 Y CB 1.760 40.479 38.460 0.433 0.000 1.164 103 Y HN 0.498 nan 8.280 nan 0.000 0.458 104 P HA -0.046 nan 4.420 nan 0.000 0.269 104 P C 0.773 178.226 177.300 0.255 0.000 1.209 104 P CA -0.187 63.028 63.100 0.191 0.000 0.776 104 P CB 0.941 32.699 31.700 0.097 0.000 0.876 105 L N 2.758 124.092 121.223 0.185 0.000 2.079 105 L HA -0.203 4.317 4.340 0.300 0.000 0.210 105 L C 1.277 178.258 176.870 0.186 0.000 1.081 105 L CA 2.087 57.038 54.840 0.186 0.000 0.752 105 L CB -1.155 40.970 42.059 0.110 0.000 0.896 105 L HN 0.263 nan 8.230 nan 0.000 0.433 106 D N -0.637 119.843 120.400 0.133 0.000 2.311 106 D HA -0.150 4.670 4.640 0.300 0.000 0.212 106 D C 2.143 178.463 176.300 0.034 0.000 0.972 106 D CA 0.983 55.059 54.000 0.125 0.000 0.887 106 D CB -0.125 40.804 40.800 0.215 0.000 0.915 106 D HN 0.413 nan 8.370 nan 0.000 0.497 107 L N -0.842 120.301 121.223 -0.133 0.000 2.395 107 L HA 0.038 4.558 4.340 0.300 0.000 0.218 107 L C 0.168 176.608 176.870 -0.717 0.000 1.130 107 L CA 0.263 54.815 54.840 -0.480 0.000 0.826 107 L CB -0.130 41.482 42.059 -0.744 0.000 0.941 107 L HN -0.109 nan 8.230 nan 0.000 0.451 108 F N -0.231 119.674 119.950 -0.075 0.000 2.450 108 F HA 0.310 5.017 4.527 0.300 0.000 0.332 108 F C 0.653 176.476 175.800 0.037 0.000 1.093 108 F CA -1.141 56.804 58.000 -0.091 0.000 1.003 108 F CB 0.966 39.728 39.000 -0.396 0.000 1.151 108 F HN -0.176 nan 8.300 nan 0.000 0.474 109 E N 1.791 122.138 120.200 0.246 0.000 2.316 109 E HA 0.144 4.675 4.350 0.300 0.000 0.275 109 E C -0.800 175.945 176.600 0.241 0.000 1.029 109 E CA -0.635 55.870 56.400 0.175 0.000 0.871 109 E CB 0.597 30.354 29.700 0.095 0.000 1.022 109 E HN 0.511 nan 8.360 nan 0.000 0.418 110 E N 2.446 122.725 120.200 0.132 0.000 2.452 110 E HA 0.158 4.688 4.350 0.300 0.000 0.261 110 E C 0.902 177.284 176.600 -0.363 0.000 0.987 110 E CA 1.309 57.677 56.400 -0.054 0.000 0.926 110 E CB 0.513 30.175 29.700 -0.063 0.000 0.934 110 E HN 0.808 nan 8.360 nan 0.000 0.452 111 G N 2.511 110.702 108.800 -1.016 0.000 2.166 111 G HA2 -0.335 3.805 3.960 0.300 0.000 0.260 111 G HA3 -0.335 3.805 3.960 0.300 0.000 0.260 111 G C 0.317 174.830 174.900 -0.644 0.000 0.986 111 G CA 0.576 44.890 45.100 -1.310 0.000 0.683 111 G HN 0.539 nan 8.290 nan 0.000 0.527 112 S N -0.603 114.929 115.700 -0.280 0.000 2.577 112 S HA 0.530 5.180 4.470 0.300 0.000 0.294 112 S C 1.436 176.137 174.600 0.168 0.000 1.161 112 S CA 0.092 58.319 58.200 0.045 0.000 1.143 112 S CB 1.292 64.521 63.200 0.048 0.000 0.991 112 S HN 0.522 nan 8.310 nan 0.000 0.475 113 V N 4.746 124.730 119.914 0.116 0.000 2.490 113 V HA -0.117 4.184 4.120 0.300 0.000 0.250 113 V C 2.554 178.409 176.094 -0.398 0.000 1.061 113 V CA 2.389 64.504 62.300 -0.309 0.000 1.064 113 V CB -0.900 30.529 31.823 -0.657 0.000 0.670 113 V HN 0.834 nan 8.190 nan 0.000 0.461 114 T N 0.051 114.523 114.554 -0.136 0.000 2.684 114 T HA -0.250 4.280 4.350 0.300 0.000 0.267 114 T C 1.924 176.657 174.700 0.055 0.000 1.036 114 T CA 1.965 64.075 62.100 0.017 0.000 1.148 114 T CB -0.463 68.471 68.868 0.111 0.000 0.863 114 T HN 0.582 nan 8.240 nan 0.000 0.436 115 N N 0.559 119.304 118.700 0.075 0.000 2.142 115 N HA -0.083 4.837 4.740 0.300 0.000 0.186 115 N C 2.133 177.749 175.510 0.178 0.000 1.023 115 N CA 1.154 54.276 53.050 0.120 0.000 0.852 115 N CB -0.221 38.348 38.487 0.138 0.000 0.998 115 N HN 0.401 nan 8.380 nan 0.000 0.424 116 M N -0.171 119.533 119.600 0.175 0.000 2.080 116 M HA -0.183 4.477 4.480 0.300 0.000 0.260 116 M C 1.423 177.831 176.300 0.180 0.000 1.068 116 M CA 1.624 57.029 55.300 0.176 0.000 1.109 116 M CB -0.163 32.384 32.600 -0.088 0.000 1.342 116 M HN 0.031 nan 8.290 nan 0.000 0.405 117 F N 0.479 120.424 119.950 -0.009 0.000 2.234 117 F HA -0.098 4.609 4.527 0.300 0.000 0.299 117 F C 2.565 178.379 175.800 0.023 0.000 1.087 117 F CA 1.474 59.460 58.000 -0.024 0.000 1.340 117 F CB -1.635 37.321 39.000 -0.073 0.000 1.031 117 F HN 0.203 nan 8.300 nan 0.000 0.500 118 T N -0.830 113.859 114.554 0.223 0.000 2.720 118 T HA -0.173 4.357 4.350 0.300 0.000 0.268 118 T C 2.366 177.130 174.700 0.106 0.000 1.037 118 T CA 1.793 63.974 62.100 0.135 0.000 1.144 118 T CB -0.355 68.571 68.868 0.096 0.000 0.864 118 T HN 0.150 nan 8.240 nan 0.000 0.444 119 S N 0.808 116.572 115.700 0.106 0.000 2.329 119 S HA 0.100 4.750 4.470 0.300 0.000 0.215 119 S C 2.078 176.732 174.600 0.091 0.000 1.031 119 S CA 0.773 59.005 58.200 0.053 0.000 0.985 119 S CB -0.335 62.844 63.200 -0.035 0.000 0.917 119 S HN 0.401 nan 8.310 nan 0.000 0.441 120 I N 0.704 121.337 120.570 0.105 0.000 2.361 120 I HA -0.058 4.292 4.170 0.300 0.000 0.251 120 I C 1.413 177.750 176.117 0.366 0.000 1.133 120 I CA 0.996 62.399 61.300 0.172 0.000 1.413 120 I CB -0.024 38.027 38.000 0.085 0.000 1.073 120 I HN 0.132 nan 8.210 nan 0.000 0.424 121 V N 0.128 120.201 119.914 0.266 0.000 3.330 121 V HA 0.236 4.536 4.120 0.300 0.000 0.309 121 V C 1.817 177.991 176.094 0.133 0.000 1.481 121 V CA 0.565 63.023 62.300 0.263 0.000 1.068 121 V CB 0.639 32.443 31.823 -0.032 0.000 0.935 121 V HN 0.404 nan 8.190 nan 0.000 0.453 122 G N 1.055 109.930 108.800 0.125 0.000 2.433 122 G HA2 -0.186 3.954 3.960 0.300 0.000 0.216 122 G HA3 -0.186 3.954 3.960 0.300 0.000 0.216 122 G C 1.182 176.109 174.900 0.045 0.000 1.186 122 G CA 1.187 46.326 45.100 0.065 0.000 0.779 122 G HN 0.541 nan 8.290 nan 0.000 0.543 123 N N -0.550 118.171 118.700 0.035 0.000 2.297 123 N HA 0.002 4.922 4.740 0.300 0.000 0.208 123 N C 2.268 177.711 175.510 -0.112 0.000 1.176 123 N CA 0.855 53.872 53.050 -0.055 0.000 0.882 123 N CB 0.346 38.745 38.487 -0.145 0.000 1.134 123 N HN 0.274 nan 8.380 nan 0.000 0.489 124 V N -0.865 119.025 119.914 -0.041 0.000 2.568 124 V HA -0.129 4.171 4.120 0.300 0.000 0.253 124 V C 1.722 177.798 176.094 -0.030 0.000 1.072 124 V CA 1.378 63.617 62.300 -0.103 0.000 1.084 124 V CB -1.244 30.510 31.823 -0.116 0.000 0.676 124 V HN -0.063 nan 8.190 nan 0.000 0.469 125 F N 2.448 122.385 119.950 -0.022 0.000 2.451 125 F HA 0.242 4.949 4.527 0.300 0.000 0.299 125 F C 2.339 178.203 175.800 0.107 0.000 1.101 125 F CA 1.170 59.204 58.000 0.057 0.000 1.436 125 F CB -0.803 38.223 39.000 0.044 0.000 1.074 125 F HN 0.346 nan 8.300 nan 0.000 0.553 126 G N -1.703 107.190 108.800 0.156 0.000 3.126 126 G HA2 0.005 4.145 3.960 0.300 0.000 0.224 126 G HA3 0.005 4.145 3.960 0.300 0.000 0.224 126 G C 0.206 175.146 174.900 0.067 0.000 1.142 126 G CA -0.250 44.901 45.100 0.086 0.000 0.759 126 G HN -0.002 nan 8.290 nan 0.000 0.550 127 F N 1.671 121.624 119.950 0.004 0.000 2.612 127 F HA 0.109 4.816 4.527 0.300 0.000 0.389 127 F C 1.777 177.567 175.800 -0.016 0.000 1.055 127 F CA 0.103 58.088 58.000 -0.025 0.000 1.232 127 F CB 0.899 39.854 39.000 -0.076 0.000 1.044 127 F HN -0.005 nan 8.300 nan 0.000 0.560 128 K N 2.900 123.452 120.400 0.254 0.000 2.211 128 K HA -0.148 4.352 4.320 0.300 0.000 0.204 128 K C 1.906 178.552 176.600 0.076 0.000 1.047 128 K CA 1.227 57.586 56.287 0.120 0.000 0.935 128 K CB -0.113 32.438 32.500 0.085 0.000 0.728 128 K HN 0.691 nan 8.250 nan 0.000 0.452 129 A N 0.853 123.706 122.820 0.055 0.000 2.239 129 A HA 0.047 4.548 4.320 0.300 0.000 0.209 129 A C 0.662 178.216 177.584 -0.050 0.000 1.171 129 A CA 0.576 52.586 52.037 -0.045 0.000 0.768 129 A CB -0.184 18.717 19.000 -0.164 0.000 0.790 129 A HN 0.097 nan 8.150 nan 0.000 0.478 130 L N -1.548 119.677 121.223 0.004 0.000 2.342 130 L HA 0.447 4.967 4.340 0.300 0.000 0.271 130 L C 1.096 177.988 176.870 0.037 0.000 1.008 130 L CA -0.853 53.988 54.840 0.002 0.000 0.818 130 L CB 1.696 43.756 42.059 0.001 0.000 1.296 130 L HN 0.142 nan 8.230 nan 0.000 0.427 131 R N 1.300 121.822 120.500 0.036 0.000 2.128 131 R HA 0.399 4.919 4.340 0.300 0.000 0.211 131 R C 0.117 176.464 176.300 0.078 0.000 1.067 131 R CA 0.558 56.683 56.100 0.042 0.000 1.010 131 R CB 0.486 30.805 30.300 0.032 0.000 0.922 131 R HN 0.707 nan 8.270 nan 0.000 0.457 132 A N 0.733 123.623 122.820 0.116 0.000 2.612 132 A HA 0.627 5.127 4.320 0.300 0.000 0.293 132 A C -2.039 175.633 177.584 0.148 0.000 1.075 132 A CA -0.619 51.578 52.037 0.266 0.000 0.680 132 A CB 1.778 20.915 19.000 0.229 0.000 1.279 132 A HN 0.050 nan 8.150 nan 0.000 0.411 133 L N 0.335 121.622 121.223 0.106 0.000 2.549 133 L HA 0.767 5.287 4.340 0.300 0.000 0.259 133 L C -0.786 175.964 176.870 -0.201 0.000 0.934 133 L CA -0.069 54.632 54.840 -0.232 0.000 0.865 133 L CB 1.954 43.609 42.059 -0.674 0.000 1.352 133 L HN 0.860 nan 8.230 nan 0.000 0.410 134 R N 3.947 124.444 120.500 -0.004 0.000 2.574 134 R HA 0.611 5.131 4.340 0.300 0.000 0.288 134 R C -1.894 174.506 176.300 0.167 0.000 1.004 134 R CA -0.888 55.303 56.100 0.152 0.000 0.895 134 R CB 1.811 32.173 30.300 0.103 0.000 1.191 134 R HN 0.667 nan 8.270 nan 0.000 0.444 135 L N 4.403 125.750 121.223 0.207 0.000 2.260 135 L HA 0.268 4.788 4.340 0.300 0.000 0.289 135 L C 0.708 177.522 176.870 -0.094 0.000 1.057 135 L CA 0.473 55.262 54.840 -0.085 0.000 0.811 135 L CB 1.208 43.213 42.059 -0.090 0.000 1.184 135 L HN 0.711 nan 8.230 nan 0.000 0.429 136 E N 2.278 122.338 120.200 -0.233 0.000 2.166 136 E HA 0.099 4.629 4.350 0.300 0.000 0.192 136 E C -0.240 176.252 176.600 -0.180 0.000 0.967 136 E CA 0.492 56.749 56.400 -0.239 0.000 0.840 136 E CB 0.447 29.781 29.700 -0.611 0.000 0.795 136 E HN 0.687 nan 8.360 nan 0.000 0.470 137 D N -1.123 119.164 120.400 -0.189 0.000 2.653 137 D HA 0.410 5.231 4.640 0.300 0.000 0.258 137 D C -1.569 174.832 176.300 0.169 0.000 1.252 137 D CA -0.478 53.556 54.000 0.056 0.000 0.777 137 D CB 1.401 42.297 40.800 0.161 0.000 1.339 137 D HN -0.147 nan 8.370 nan 0.000 0.422 138 L N 1.271 122.605 121.223 0.184 0.000 2.464 138 L HA 0.480 5.000 4.340 0.300 0.000 0.266 138 L C -0.467 176.339 176.870 -0.107 0.000 0.965 138 L CA -0.880 53.964 54.840 0.008 0.000 0.833 138 L CB 2.263 44.299 42.059 -0.039 0.000 1.296 138 L HN 0.199 nan 8.230 nan 0.000 0.405 139 R N 4.170 124.390 120.500 -0.466 0.000 2.204 139 R HA 0.473 4.993 4.340 0.300 0.000 0.341 139 R C -1.026 175.084 176.300 -0.318 0.000 1.035 139 R CA -0.448 55.389 56.100 -0.437 0.000 0.887 139 R CB 0.371 30.237 30.300 -0.724 0.000 1.114 139 R HN 0.561 nan 8.270 nan 0.000 0.473 140 I N 8.018 128.416 120.570 -0.287 0.000 2.301 140 I HA 0.222 4.572 4.170 0.300 0.000 0.292 140 I C -1.657 174.334 176.117 -0.209 0.000 1.046 140 I CA -1.963 59.193 61.300 -0.240 0.000 1.282 140 I CB 1.544 39.382 38.000 -0.269 0.000 1.409 140 I HN 0.314 nan 8.210 nan 0.000 0.484 141 P HA -0.034 nan 4.420 nan 0.000 0.269 141 P C 1.098 178.382 177.300 -0.026 0.000 1.209 141 P CA -0.158 62.901 63.100 -0.069 0.000 0.776 141 P CB 1.230 32.912 31.700 -0.029 0.000 0.876 142 V N 0.485 120.380 119.914 -0.031 0.000 2.568 142 V HA -0.232 4.069 4.120 0.300 0.000 0.253 142 V C 2.224 178.348 176.094 0.051 0.000 1.072 142 V CA 2.086 64.386 62.300 -0.001 0.000 1.084 142 V CB -2.124 29.703 31.823 0.007 0.000 0.676 142 V HN 0.540 nan 8.190 nan 0.000 0.469 143 A N -0.992 121.868 122.820 0.068 0.000 1.969 143 A HA -0.113 4.387 4.320 0.300 0.000 0.218 143 A C 2.132 179.817 177.584 0.169 0.000 1.169 143 A CA 1.832 53.927 52.037 0.096 0.000 0.635 143 A CB -0.745 18.306 19.000 0.085 0.000 0.810 143 A HN 0.719 nan 8.150 nan 0.000 0.445 144 Y N -0.031 120.290 120.300 0.035 0.000 2.314 144 Y HA -0.001 4.729 4.550 0.300 0.000 0.294 144 Y C 2.327 178.353 175.900 0.210 0.000 1.119 144 Y CA 0.950 59.102 58.100 0.088 0.000 1.179 144 Y CB -0.219 38.263 38.460 0.037 0.000 1.025 144 Y HN 0.049 nan 8.280 nan 0.000 0.541 145 V N 0.752 120.753 119.914 0.144 0.000 2.324 145 V HA -0.324 3.976 4.120 0.300 0.000 0.250 145 V C 2.260 178.460 176.094 0.177 0.000 1.060 145 V CA 2.059 64.432 62.300 0.121 0.000 1.042 145 V CB -0.526 31.324 31.823 0.046 0.000 0.650 145 V HN 0.237 nan 8.190 nan 0.000 0.450 146 K N 0.564 121.027 120.400 0.105 0.000 2.442 146 K HA -0.099 4.401 4.320 0.300 0.000 0.198 146 K C 2.045 178.652 176.600 0.011 0.000 1.044 146 K CA 1.575 57.902 56.287 0.067 0.000 0.948 146 K CB -0.792 31.737 32.500 0.048 0.000 0.762 146 K HN 0.761 nan 8.250 nan 0.000 0.472 147 T N -2.124 112.392 114.554 -0.063 0.000 3.148 147 T HA 0.107 4.637 4.350 0.300 0.000 0.253 147 T C 0.470 174.911 174.700 -0.432 0.000 1.134 147 T CA -0.173 61.772 62.100 -0.260 0.000 1.051 147 T CB -0.241 68.393 68.868 -0.390 0.000 0.959 147 T HN -0.161 nan 8.240 nan 0.000 0.525 148 F N 1.034 120.898 119.950 -0.145 0.000 2.507 148 F HA 0.492 5.199 4.527 0.300 0.000 0.327 148 F C 1.536 177.308 175.800 -0.047 0.000 1.068 148 F CA -1.311 56.630 58.000 -0.098 0.000 0.965 148 F CB 1.965 40.892 39.000 -0.120 0.000 1.192 148 F HN -0.126 nan 8.300 nan 0.000 0.476 149 Q N 1.981 121.884 119.800 0.172 0.000 2.123 149 Q HA 0.220 4.740 4.340 0.300 0.000 0.199 149 Q C 1.016 177.061 176.000 0.075 0.000 0.966 149 Q CA 1.190 57.033 55.803 0.066 0.000 0.845 149 Q CB -0.051 28.701 28.738 0.023 0.000 0.907 149 Q HN 1.008 nan 8.270 nan 0.000 0.439 150 G N 0.398 109.266 108.800 0.113 0.000 2.632 150 G HA2 -0.240 3.900 3.960 0.300 0.000 0.224 150 G HA3 -0.240 3.900 3.960 0.300 0.000 0.224 150 G C -2.547 172.340 174.900 -0.021 0.000 1.341 150 G CA -0.430 44.684 45.100 0.024 0.000 0.880 150 G HN 0.321 nan 8.290 nan 0.000 0.566 151 P HA 0.204 nan 4.420 nan 0.000 0.265 151 P C -1.731 175.496 177.300 -0.122 0.000 1.187 151 P CA -0.379 62.667 63.100 -0.090 0.000 0.766 151 P CB 0.417 32.061 31.700 -0.092 0.000 0.820 152 P HA -0.164 nan 4.420 nan 0.000 0.218 152 P C 0.738 177.592 177.300 -0.744 0.000 1.148 152 P CA 1.846 64.713 63.100 -0.390 0.000 0.822 152 P CB 0.069 31.569 31.700 -0.333 0.000 0.784 153 H N -3.636 115.414 119.070 -0.033 0.000 1.955 153 H HA 0.351 5.088 4.556 0.300 0.000 0.196 153 H C 1.132 176.450 175.328 -0.017 0.000 0.891 153 H CA 1.005 57.040 56.048 -0.022 0.000 1.001 153 H CB 0.102 29.852 29.762 -0.021 0.000 1.195 153 H HN 0.057 nan 8.280 nan 0.000 0.384 154 G N 1.168 110.022 108.800 0.089 0.000 2.707 154 G HA2 -0.194 3.946 3.960 0.300 0.000 0.686 154 G HA3 -0.194 3.946 3.960 0.300 0.000 0.686 154 G C 0.833 175.773 174.900 0.067 0.000 1.315 154 G CA -0.080 45.044 45.100 0.040 0.000 0.832 154 G HN 0.200 nan 8.290 nan 0.000 0.573 155 I N 0.168 120.763 120.570 0.043 0.000 2.087 155 I HA -0.342 4.008 4.170 0.300 0.000 0.240 155 I C 2.937 179.098 176.117 0.073 0.000 1.054 155 I CA 2.627 63.959 61.300 0.055 0.000 1.311 155 I CB -0.316 37.706 38.000 0.036 0.000 1.024 155 I HN 0.797 nan 8.210 nan 0.000 0.402 156 Q N 0.970 120.813 119.800 0.073 0.000 2.030 156 Q HA -0.216 4.304 4.340 0.300 0.000 0.204 156 Q C 2.366 178.426 176.000 0.100 0.000 0.986 156 Q CA 2.634 58.493 55.803 0.093 0.000 0.843 156 Q CB -0.113 28.671 28.738 0.076 0.000 0.904 156 Q HN 0.410 nan 8.270 nan 0.000 0.420 157 V N 1.261 121.230 119.914 0.092 0.000 2.407 157 V HA -0.261 4.039 4.120 0.300 0.000 0.248 157 V C 2.334 178.465 176.094 0.062 0.000 1.055 157 V CA 2.256 64.612 62.300 0.092 0.000 1.049 157 V CB -0.788 31.115 31.823 0.133 0.000 0.662 157 V HN 0.508 nan 8.190 nan 0.000 0.455 158 E N 0.310 120.550 120.200 0.066 0.000 2.051 158 E HA -0.239 4.291 4.350 0.300 0.000 0.192 158 E C 2.461 179.072 176.600 0.017 0.000 0.991 158 E CA 1.325 57.749 56.400 0.040 0.000 0.799 158 E CB -0.091 29.664 29.700 0.091 0.000 0.748 158 E HN 0.509 nan 8.360 nan 0.000 0.449 159 R N 0.342 120.851 120.500 0.015 0.000 2.096 159 R HA -0.127 4.393 4.340 0.300 0.000 0.235 159 R C 1.977 178.173 176.300 -0.173 0.000 1.127 159 R CA 1.514 57.551 56.100 -0.106 0.000 0.968 159 R CB -0.168 30.119 30.300 -0.021 0.000 0.861 159 R HN 0.280 nan 8.270 nan 0.000 0.440 160 D N 0.472 120.896 120.400 0.040 0.000 2.117 160 D HA -0.122 4.698 4.640 0.300 0.000 0.197 160 D C 1.812 178.130 176.300 0.030 0.000 0.987 160 D CA 1.090 55.156 54.000 0.110 0.000 0.829 160 D CB -0.008 40.875 40.800 0.138 0.000 0.961 160 D HN 0.046 nan 8.370 nan 0.000 0.460 161 K N 0.392 120.790 120.400 -0.003 0.000 2.057 161 K HA -0.006 4.494 4.320 0.300 0.000 0.206 161 K C 2.224 178.808 176.600 -0.026 0.000 1.050 161 K CA 0.486 56.761 56.287 -0.020 0.000 0.935 161 K CB -0.307 32.157 32.500 -0.060 0.000 0.715 161 K HN 0.270 nan 8.250 nan 0.000 0.439 162 L N 0.227 121.421 121.223 -0.049 0.000 2.509 162 L HA 0.071 4.591 4.340 0.300 0.000 0.222 162 L C 0.543 177.336 176.870 -0.130 0.000 1.123 162 L CA 0.010 54.815 54.840 -0.059 0.000 0.856 162 L CB -0.529 41.514 42.059 -0.027 0.000 0.985 162 L HN 0.391 nan 8.230 nan 0.000 0.456 163 N N 1.302 119.878 118.700 -0.207 0.000 2.758 163 N HA -0.175 4.745 4.740 0.300 0.000 0.248 163 N C -0.454 174.776 175.510 -0.467 0.000 1.076 163 N CA 0.393 53.279 53.050 -0.272 0.000 0.696 163 N CB -0.355 38.100 38.487 -0.053 0.000 0.979 163 N HN 0.371 nan 8.380 nan 0.000 0.550 164 K N 1.405 121.383 120.400 -0.704 0.000 2.358 164 K HA 0.412 4.912 4.320 0.300 0.000 0.260 164 K C -1.377 174.831 176.600 -0.654 0.000 0.956 164 K CA -0.317 55.672 56.287 -0.497 0.000 0.834 164 K CB 1.026 33.364 32.500 -0.270 0.000 1.102 164 K HN 0.100 nan 8.250 nan 0.000 0.431 165 Y N -0.624 119.678 120.300 0.004 0.000 2.562 165 Y HA 0.417 5.146 4.550 0.299 0.000 0.345 165 Y C 1.004 176.910 175.900 0.009 0.000 1.045 165 Y CA -0.889 57.217 58.100 0.010 0.000 1.028 165 Y CB 2.428 40.895 38.460 0.011 0.000 1.297 165 Y HN 0.748 nan 8.280 nan 0.000 0.463 166 G N 1.423 110.339 108.800 0.193 0.000 2.143 166 G HA2 -0.201 3.939 3.960 0.300 0.000 0.249 166 G HA3 -0.201 3.939 3.960 0.300 0.000 0.249 166 G C -0.226 174.719 174.900 0.075 0.000 0.981 166 G CA 0.345 45.512 45.100 0.112 0.000 0.665 166 G HN 0.950 nan 8.290 nan 0.000 0.528 167 R N -2.194 118.345 120.500 0.064 0.000 2.753 167 R HA 0.564 5.084 4.340 0.300 0.000 0.272 167 R C -3.523 172.798 176.300 0.036 0.000 1.034 167 R CA -1.719 54.410 56.100 0.048 0.000 0.869 167 R CB 0.194 30.515 30.300 0.035 0.000 1.264 167 R HN 0.021 nan 8.270 nan 0.000 0.481 168 P HA 0.111 nan 4.420 nan 0.000 0.269 168 P C -0.526 176.780 177.300 0.011 0.000 1.215 168 P CA -0.246 62.872 63.100 0.030 0.000 0.780 168 P CB 0.493 32.222 31.700 0.049 0.000 0.898 169 L N 1.958 123.182 121.223 0.003 0.000 2.399 169 L HA 0.390 4.911 4.340 0.300 0.000 0.266 169 L C 0.228 177.117 176.870 0.031 0.000 1.114 169 L CA -0.533 54.300 54.840 -0.011 0.000 0.804 169 L CB 0.192 42.290 42.059 0.065 0.000 1.146 169 L HN 0.179 nan 8.230 nan 0.000 0.451 170 L N 1.108 122.329 121.223 -0.003 0.000 2.341 170 L HA 0.722 5.242 4.340 0.300 0.000 0.278 170 L C 0.196 177.134 176.870 0.114 0.000 1.005 170 L CA -0.285 54.604 54.840 0.081 0.000 0.818 170 L CB 1.876 43.968 42.059 0.056 0.000 1.259 170 L HN 0.705 nan 8.230 nan 0.000 0.418 171 G N 0.715 109.616 108.800 0.168 0.000 2.818 171 G HA2 0.645 4.785 3.960 0.300 0.000 0.286 171 G HA3 0.645 4.785 3.960 0.300 0.000 0.286 171 G C -1.953 172.991 174.900 0.073 0.000 1.364 171 G CA -0.518 44.663 45.100 0.136 0.000 0.938 171 G HN 0.686 nan 8.290 nan 0.000 0.490 172 C N -0.104 119.184 119.300 -0.019 0.000 3.046 172 C HA 0.708 5.348 4.460 0.300 0.000 0.388 172 C C -0.287 174.665 174.990 -0.063 0.000 1.041 172 C CA -0.418 58.600 59.018 0.000 0.000 1.241 172 C CB 0.578 28.337 27.740 0.032 0.000 1.638 172 C HN 0.806 nan 8.230 nan 0.000 0.539 173 T N 7.067 121.606 114.554 -0.026 0.000 2.771 173 T HA 0.416 4.946 4.350 0.300 0.000 0.291 173 T C 0.421 175.118 174.700 -0.005 0.000 0.954 173 T CA -0.242 61.851 62.100 -0.010 0.000 1.045 173 T CB 0.359 69.257 68.868 0.049 0.000 0.917 173 T HN 0.573 nan 8.240 nan 0.000 0.484 174 I N 4.108 124.658 120.570 -0.034 0.000 2.648 174 I HA 0.220 4.570 4.170 0.300 0.000 0.284 174 I C 0.681 176.781 176.117 -0.028 0.000 1.153 174 I CA 0.081 61.303 61.300 -0.129 0.000 1.426 174 I CB 0.003 37.690 38.000 -0.521 0.000 1.381 174 I HN 0.432 nan 8.210 nan 0.000 0.571 175 K N 6.471 126.857 120.400 -0.024 0.000 2.443 175 K HA 0.564 5.064 4.320 0.300 0.000 0.251 175 K C -2.421 174.189 176.600 0.017 0.000 0.972 175 K CA -1.594 54.708 56.287 0.025 0.000 0.833 175 K CB 1.667 34.190 32.500 0.039 0.000 1.317 175 K HN 0.310 nan 8.250 nan 0.000 0.441 176 P HA 0.135 nan 4.420 nan 0.000 0.270 176 P C 0.248 177.580 177.300 0.052 0.000 1.223 176 P CA -0.149 62.967 63.100 0.026 0.000 0.785 176 P CB 0.889 32.586 31.700 -0.005 0.000 0.923 177 K N 0.218 120.646 120.400 0.046 0.000 2.034 177 K HA -0.095 4.405 4.320 0.300 0.000 0.214 177 K C 0.822 177.479 176.600 0.094 0.000 1.051 177 K CA 1.310 57.642 56.287 0.076 0.000 0.931 177 K CB -0.290 32.235 32.500 0.043 0.000 0.715 177 K HN 0.400 nan 8.250 nan 0.000 0.446 178 L N -2.456 118.751 121.223 -0.025 0.000 2.327 178 L HA 0.425 4.945 4.340 0.300 0.000 0.258 178 L C 0.769 177.322 176.870 -0.528 0.000 1.024 178 L CA -0.335 54.374 54.840 -0.219 0.000 0.825 178 L CB 2.266 44.228 42.059 -0.160 0.000 1.386 178 L HN 0.439 nan 8.230 nan 0.000 0.417 179 G N 0.754 108.771 108.800 -1.305 0.000 2.253 179 G HA2 -0.178 3.962 3.960 0.300 0.000 0.209 179 G HA3 -0.178 3.962 3.960 0.300 0.000 0.209 179 G C -0.185 174.515 174.900 -0.334 0.000 0.997 179 G CA -0.520 44.069 45.100 -0.851 0.000 0.640 179 G HN 0.299 nan 8.290 nan 0.000 0.496 180 L N 2.340 123.519 121.223 -0.074 0.000 2.375 180 L HA 0.588 5.108 4.340 0.300 0.000 0.271 180 L C 1.464 178.509 176.870 0.292 0.000 1.107 180 L CA -0.118 54.816 54.840 0.156 0.000 0.806 180 L CB 1.483 43.707 42.059 0.276 0.000 1.146 180 L HN 0.452 nan 8.230 nan 0.000 0.447 181 S N 1.250 117.075 115.700 0.209 0.000 2.645 181 S HA 0.339 4.989 4.470 0.300 0.000 0.266 181 S C 1.028 175.729 174.600 0.169 0.000 1.258 181 S CA -0.159 58.150 58.200 0.181 0.000 0.990 181 S CB 1.524 64.776 63.200 0.088 0.000 0.967 181 S HN 0.697 nan 8.310 nan 0.000 0.556 182 A N 1.277 124.173 122.820 0.128 0.000 1.883 182 A HA -0.125 4.375 4.320 0.300 0.000 0.217 182 A C 2.155 179.736 177.584 -0.005 0.000 1.186 182 A CA 1.993 54.130 52.037 0.166 0.000 0.624 182 A CB -1.052 18.135 19.000 0.311 0.000 0.822 182 A HN 0.971 nan 8.150 nan 0.000 0.444 183 K N -0.146 120.029 120.400 -0.375 0.000 2.097 183 K HA -0.119 4.381 4.320 0.300 0.000 0.205 183 K C 1.706 178.151 176.600 -0.258 0.000 1.050 183 K CA 1.744 57.581 56.287 -0.749 0.000 0.938 183 K CB -0.319 31.688 32.500 -0.823 0.000 0.718 183 K HN 0.633 nan 8.250 nan 0.000 0.442 184 N N -0.991 117.661 118.700 -0.080 0.000 2.244 184 N HA -0.144 4.776 4.740 0.300 0.000 0.183 184 N C 1.427 176.974 175.510 0.063 0.000 1.016 184 N CA 0.727 53.778 53.050 0.002 0.000 0.866 184 N CB -0.094 38.414 38.487 0.035 0.000 0.980 184 N HN 0.158 nan 8.380 nan 0.000 0.430 185 Y N 1.258 121.558 120.300 0.000 0.000 2.145 185 Y HA -0.123 4.609 4.550 0.302 0.000 0.286 185 Y C 2.480 178.387 175.900 0.011 0.000 1.145 185 Y CA 1.725 59.849 58.100 0.040 0.000 1.148 185 Y CB -0.679 37.835 38.460 0.090 0.000 0.981 185 Y HN 0.008 nan 8.280 nan 0.000 0.507 186 G N -0.555 108.335 108.800 0.151 0.000 2.422 186 G HA2 -0.312 3.828 3.960 0.300 0.000 0.218 186 G HA3 -0.312 3.828 3.960 0.300 0.000 0.218 186 G C 1.711 176.654 174.900 0.072 0.000 1.146 186 G CA 0.920 46.078 45.100 0.097 0.000 0.769 186 G HN 0.397 nan 8.290 nan 0.000 0.547 187 R N 0.648 121.172 120.500 0.040 0.000 2.073 187 R HA 0.098 4.619 4.340 0.300 0.000 0.234 187 R C 2.720 179.061 176.300 0.069 0.000 1.134 187 R CA 1.735 57.879 56.100 0.073 0.000 0.952 187 R CB -0.528 29.788 30.300 0.026 0.000 0.850 187 R HN 0.216 nan 8.270 nan 0.000 0.433 188 A N 0.523 123.342 122.820 -0.003 0.000 1.902 188 A HA -0.068 4.432 4.320 0.300 0.000 0.217 188 A C 2.322 179.880 177.584 -0.044 0.000 1.181 188 A CA 1.550 53.560 52.037 -0.045 0.000 0.623 188 A CB -0.586 18.341 19.000 -0.122 0.000 0.818 188 A HN 0.231 nan 8.150 nan 0.000 0.443 189 V N -1.075 118.816 119.914 -0.039 0.000 2.287 189 V HA -0.299 4.001 4.120 0.300 0.000 0.248 189 V C 2.405 178.530 176.094 0.052 0.000 1.053 189 V CA 2.258 64.557 62.300 -0.002 0.000 1.027 189 V CB -1.032 30.765 31.823 -0.044 0.000 0.646 189 V HN 0.760 nan 8.190 nan 0.000 0.447 190 Y N 1.419 121.711 120.300 -0.014 0.000 2.165 190 Y HA -0.215 4.517 4.550 0.303 0.000 0.286 190 Y C 2.534 178.435 175.900 0.002 0.000 1.155 190 Y CA 1.925 60.026 58.100 0.002 0.000 1.164 190 Y CB -0.345 38.124 38.460 0.014 0.000 0.978 190 Y HN 0.287 nan 8.280 nan 0.000 0.513 191 E N -0.412 119.603 120.200 -0.309 0.000 2.110 191 E HA -0.202 4.328 4.350 0.300 0.000 0.193 191 E C 2.474 178.924 176.600 -0.251 0.000 0.988 191 E CA 1.398 57.569 56.400 -0.381 0.000 0.804 191 E CB -0.877 28.727 29.700 -0.160 0.000 0.745 191 E HN 0.557 nan 8.360 nan 0.000 0.458 192 C N 0.696 119.911 119.300 -0.142 0.000 2.462 192 C HA -0.052 4.588 4.460 0.300 0.000 0.278 192 C C 2.888 177.820 174.990 -0.098 0.000 1.253 192 C CA 0.288 59.250 59.018 -0.094 0.000 1.713 192 C CB -1.138 26.575 27.740 -0.045 0.000 2.049 192 C HN 0.356 nan 8.230 nan 0.000 0.477 193 L N 1.350 122.524 121.223 -0.081 0.000 2.046 193 L HA -0.177 4.343 4.340 0.300 0.000 0.208 193 L C 2.893 179.710 176.870 -0.088 0.000 1.077 193 L CA 1.899 56.705 54.840 -0.055 0.000 0.747 193 L CB -0.772 41.291 42.059 0.007 0.000 0.896 193 L HN 0.483 nan 8.230 nan 0.000 0.432 194 R N 0.571 120.965 120.500 -0.177 0.000 2.237 194 R HA -0.069 4.451 4.340 0.300 0.000 0.219 194 R C 1.833 178.058 176.300 -0.125 0.000 1.080 194 R CA 1.278 57.276 56.100 -0.168 0.000 0.995 194 R CB -0.663 29.427 30.300 -0.350 0.000 0.875 194 R HN 0.267 nan 8.270 nan 0.000 0.462 195 G N -0.588 108.133 108.800 -0.131 0.000 2.985 195 G HA2 0.269 4.409 3.960 0.300 0.000 0.209 195 G HA3 0.269 4.409 3.960 0.300 0.000 0.209 195 G C 0.860 175.713 174.900 -0.077 0.000 1.165 195 G CA 0.203 45.243 45.100 -0.100 0.000 0.776 195 G HN 0.584 nan 8.290 nan 0.000 0.541 196 G N -0.744 108.013 108.800 -0.071 0.000 2.205 196 G HA2 -0.191 3.949 3.960 0.300 0.000 0.180 196 G HA3 -0.191 3.949 3.960 0.300 0.000 0.180 196 G C 0.308 175.164 174.900 -0.074 0.000 1.004 196 G CA -0.274 44.788 45.100 -0.063 0.000 0.670 196 G HN 0.343 nan 8.290 nan 0.000 0.496 197 L N 1.305 122.485 121.223 -0.073 0.000 2.417 197 L HA 0.349 4.869 4.340 0.300 0.000 0.268 197 L C 1.096 177.890 176.870 -0.127 0.000 1.158 197 L CA -0.598 54.199 54.840 -0.071 0.000 0.819 197 L CB 0.592 42.632 42.059 -0.032 0.000 1.112 197 L HN 0.013 nan 8.230 nan 0.000 0.458 198 D N 1.406 121.664 120.400 -0.236 0.000 2.183 198 D HA 0.039 4.859 4.640 0.300 0.000 0.205 198 D C -0.156 175.855 176.300 -0.483 0.000 0.962 198 D CA 1.480 55.184 54.000 -0.495 0.000 0.849 198 D CB 0.309 40.566 40.800 -0.905 0.000 0.978 198 D HN 0.141 nan 8.370 nan 0.000 0.488 199 F N -0.197 119.742 119.950 -0.017 0.000 2.599 199 F HA 0.343 5.052 4.527 0.302 0.000 0.311 199 F C 0.525 176.213 175.800 -0.187 0.000 1.076 199 F CA -1.125 56.825 58.000 -0.084 0.000 0.937 199 F CB 1.681 40.630 39.000 -0.085 0.000 1.282 199 F HN -0.355 nan 8.300 nan 0.000 0.460 200 T N -1.199 113.332 114.554 -0.038 0.000 2.888 200 T HA 0.902 5.432 4.350 0.300 0.000 0.288 200 T C -1.201 173.137 174.700 -0.604 0.000 1.063 200 T CA -1.036 60.983 62.100 -0.135 0.000 1.010 200 T CB 2.786 71.736 68.868 0.136 0.000 1.214 200 T HN 0.809 nan 8.240 nan 0.000 0.533 201 K N -0.292 119.777 120.400 -0.552 0.000 2.597 201 K HA 0.505 5.006 4.320 0.300 0.000 0.282 201 K C -2.001 174.502 176.600 -0.162 0.000 0.975 201 K CA -0.967 54.852 56.287 -0.780 0.000 0.867 201 K CB 1.160 33.142 32.500 -0.863 0.000 1.465 201 K HN 0.374 nan 8.250 nan 0.000 0.417 202 D N 1.475 121.872 120.400 -0.005 0.000 2.399 202 D HA 0.083 4.903 4.640 0.300 0.000 0.241 202 D C -0.429 176.009 176.300 0.230 0.000 1.133 202 D CA 0.403 54.603 54.000 0.333 0.000 0.890 202 D CB 0.787 41.744 40.800 0.262 0.000 1.201 202 D HN 0.411 nan 8.370 nan 0.000 0.432 203 D N 0.587 121.140 120.400 0.255 0.000 2.360 203 D HA -0.060 4.760 4.640 0.300 0.000 0.242 203 D C 1.439 177.753 176.300 0.023 0.000 1.184 203 D CA -0.243 53.838 54.000 0.135 0.000 0.930 203 D CB 0.801 41.676 40.800 0.125 0.000 1.161 203 D HN 0.386 nan 8.370 nan 0.000 0.447 204 E N 1.729 121.795 120.200 -0.223 0.000 2.160 204 E HA -0.253 4.277 4.350 0.300 0.000 0.195 204 E C 0.637 177.143 176.600 -0.156 0.000 0.991 204 E CA 1.155 57.314 56.400 -0.402 0.000 0.810 204 E CB -0.388 28.779 29.700 -0.889 0.000 0.742 204 E HN 0.501 nan 8.360 nan 0.000 0.466 205 N N 0.967 119.622 118.700 -0.074 0.000 2.336 205 N HA 0.008 4.928 4.740 0.300 0.000 0.189 205 N C 0.024 175.571 175.510 0.061 0.000 1.113 205 N CA -0.095 52.948 53.050 -0.012 0.000 0.858 205 N CB 0.196 38.681 38.487 -0.004 0.000 0.970 205 N HN -0.054 nan 8.380 nan 0.000 0.471 206 V N 1.940 121.908 119.914 0.090 0.000 2.370 206 V HA 0.176 4.476 4.120 0.300 0.000 0.257 206 V C 0.286 176.440 176.094 0.100 0.000 1.064 206 V CA -0.170 62.207 62.300 0.128 0.000 0.975 206 V CB -0.493 31.418 31.823 0.146 0.000 1.067 206 V HN 0.308 nan 8.190 nan 0.000 0.485 207 N N 2.570 121.311 118.700 0.068 0.000 2.871 207 N HA 0.243 5.163 4.740 0.300 0.000 0.204 207 N C -0.126 175.423 175.510 0.066 0.000 1.233 207 N CA -0.290 52.796 53.050 0.060 0.000 1.124 207 N CB 0.547 39.040 38.487 0.011 0.000 1.414 207 N HN 0.495 nan 8.380 nan 0.000 0.511 208 S N 0.223 115.929 115.700 0.011 0.000 2.720 208 S HA 0.437 5.087 4.470 0.300 0.000 0.278 208 S C -1.800 172.725 174.600 -0.124 0.000 1.172 208 S CA -0.427 57.780 58.200 0.012 0.000 1.019 208 S CB 1.116 64.423 63.200 0.179 0.000 1.049 208 S HN 0.248 nan 8.310 nan 0.000 0.483 209 Q N 3.382 122.987 119.800 -0.324 0.000 2.544 209 Q HA 0.495 5.015 4.340 0.300 0.000 0.291 209 Q C -2.101 173.607 176.000 -0.485 0.000 1.068 209 Q CA -1.820 53.712 55.803 -0.451 0.000 0.785 209 Q CB 1.571 29.858 28.738 -0.752 0.000 1.481 209 Q HN 0.261 nan 8.270 nan 0.000 0.430 210 P HA -0.191 nan 4.420 nan 0.000 0.216 210 P C 0.542 177.766 177.300 -0.127 0.000 1.150 210 P CA 1.434 64.449 63.100 -0.142 0.000 0.843 210 P CB 0.050 31.744 31.700 -0.011 0.000 0.787 211 F N -2.693 117.267 119.950 0.018 0.000 2.558 211 F HA 0.283 4.990 4.527 0.300 0.000 0.298 211 F C 0.951 176.764 175.800 0.022 0.000 1.119 211 F CA 0.109 58.121 58.000 0.021 0.000 1.451 211 F CB -0.581 38.436 39.000 0.029 0.000 1.091 211 F HN -0.179 nan 8.300 nan 0.000 0.563 212 M N 1.352 120.711 119.600 -0.402 0.000 2.387 212 M HA 0.321 4.981 4.480 0.300 0.000 0.215 212 M C -1.440 174.713 176.300 -0.244 0.000 0.973 212 M CA -0.513 54.680 55.300 -0.178 0.000 0.924 212 M CB 0.951 33.555 32.600 0.007 0.000 2.471 212 M HN -0.198 nan 8.290 nan 0.000 0.445 213 R N 3.661 124.069 120.500 -0.154 0.000 2.490 213 R HA 0.235 4.755 4.340 0.300 0.000 0.278 213 R C 1.113 177.329 176.300 -0.141 0.000 1.069 213 R CA -0.174 55.831 56.100 -0.158 0.000 1.080 213 R CB 0.498 30.677 30.300 -0.203 0.000 1.030 213 R HN 0.949 nan 8.270 nan 0.000 0.491 214 W N 4.335 125.531 121.300 -0.173 0.000 2.338 214 W HA -0.184 4.656 4.660 0.300 0.000 0.304 214 W C 1.153 177.484 176.519 -0.313 0.000 1.212 214 W CA 0.816 58.028 57.345 -0.222 0.000 1.264 214 W CB -0.496 28.764 29.460 -0.334 0.000 1.142 214 W HN 0.574 nan 8.180 nan 0.000 0.512 215 R N 0.973 120.589 120.500 -1.474 0.000 2.092 215 R HA -0.146 4.374 4.340 0.300 0.000 0.231 215 R C 1.907 177.969 176.300 -0.397 0.000 1.119 215 R CA 2.082 57.414 56.100 -1.280 0.000 0.970 215 R CB -0.386 28.931 30.300 -1.638 0.000 0.864 215 R HN 0.005 nan 8.270 nan 0.000 0.440 216 D N -0.163 120.062 120.400 -0.292 0.000 2.117 216 D HA -0.194 4.627 4.640 0.300 0.000 0.197 216 D C 1.866 178.265 176.300 0.166 0.000 0.987 216 D CA 1.030 54.995 54.000 -0.059 0.000 0.829 216 D CB -0.204 40.614 40.800 0.030 0.000 0.961 216 D HN 0.248 nan 8.370 nan 0.000 0.460 217 R N -0.228 120.392 120.500 0.199 0.000 2.073 217 R HA -0.147 4.373 4.340 0.300 0.000 0.234 217 R C 2.262 178.823 176.300 0.434 0.000 1.134 217 R CA 1.030 57.319 56.100 0.315 0.000 0.952 217 R CB -0.310 30.131 30.300 0.235 0.000 0.850 217 R HN 0.022 nan 8.270 nan 0.000 0.433 218 F N 0.832 120.903 119.950 0.202 0.000 2.095 218 F HA -0.201 4.506 4.527 0.301 0.000 0.298 218 F C 2.164 178.038 175.800 0.123 0.000 1.104 218 F CA 0.949 59.083 58.000 0.224 0.000 1.232 218 F CB -0.923 38.325 39.000 0.412 0.000 0.987 218 F HN 0.080 nan 8.300 nan 0.000 0.475 219 L N -1.142 120.275 121.223 0.324 0.000 1.994 219 L HA -0.210 4.310 4.340 0.300 0.000 0.208 219 L C 2.283 179.155 176.870 0.004 0.000 1.071 219 L CA 1.749 56.644 54.840 0.091 0.000 0.745 219 L CB -0.963 41.046 42.059 -0.084 0.000 0.892 219 L HN -0.031 nan 8.230 nan 0.000 0.431 220 F N -1.471 118.549 119.950 0.117 0.000 2.186 220 F HA -0.197 4.510 4.527 0.300 0.000 0.299 220 F C 2.635 178.459 175.800 0.039 0.000 1.090 220 F CA 1.157 59.203 58.000 0.077 0.000 1.307 220 F CB -1.255 37.794 39.000 0.083 0.000 1.019 220 F HN 0.145 nan 8.300 nan 0.000 0.489 221 C N -0.366 119.047 119.300 0.189 0.000 2.440 221 C HA -0.066 4.574 4.460 0.300 0.000 0.278 221 C C 3.099 178.055 174.990 -0.057 0.000 1.295 221 C CA 0.897 59.902 59.018 -0.022 0.000 1.738 221 C CB -1.544 26.059 27.740 -0.228 0.000 1.987 221 C HN 0.498 nan 8.230 nan 0.000 0.492 222 A N 0.298 123.098 122.820 -0.033 0.000 1.898 222 A HA -0.220 4.280 4.320 0.300 0.000 0.216 222 A C 2.152 179.708 177.584 -0.046 0.000 1.181 222 A CA 1.831 53.786 52.037 -0.137 0.000 0.620 222 A CB -0.669 18.312 19.000 -0.030 0.000 0.819 222 A HN 0.700 nan 8.150 nan 0.000 0.442 223 E N -0.039 120.218 120.200 0.095 0.000 2.058 223 E HA -0.169 4.361 4.350 0.300 0.000 0.194 223 E C 2.161 178.823 176.600 0.103 0.000 0.997 223 E CA 1.176 57.664 56.400 0.148 0.000 0.801 223 E CB -0.265 29.525 29.700 0.151 0.000 0.746 223 E HN 0.522 nan 8.360 nan 0.000 0.450 224 A N 1.239 124.108 122.820 0.082 0.000 1.877 224 A HA -0.176 4.325 4.320 0.300 0.000 0.216 224 A C 2.222 179.867 177.584 0.102 0.000 1.186 224 A CA 1.698 53.790 52.037 0.092 0.000 0.620 224 A CB -0.783 18.288 19.000 0.119 0.000 0.822 224 A HN 0.420 nan 8.150 nan 0.000 0.443 225 L N -2.905 118.313 121.223 -0.008 0.000 2.093 225 L HA -0.069 4.451 4.340 0.300 0.000 0.208 225 L C 2.192 179.052 176.870 -0.018 0.000 1.085 225 L CA 1.848 56.661 54.840 -0.044 0.000 0.755 225 L CB -1.258 40.713 42.059 -0.147 0.000 0.904 225 L HN 0.270 nan 8.230 nan 0.000 0.435 226 Y N 0.685 121.027 120.300 0.071 0.000 2.242 226 Y HA -0.107 4.623 4.550 0.300 0.000 0.291 226 Y C 2.774 178.704 175.900 0.051 0.000 1.137 226 Y CA 1.468 59.598 58.100 0.050 0.000 1.181 226 Y CB -0.646 37.832 38.460 0.029 0.000 0.989 226 Y HN 0.330 nan 8.280 nan 0.000 0.527 227 K N 0.116 120.627 120.400 0.185 0.000 2.057 227 K HA -0.128 4.372 4.320 0.300 0.000 0.206 227 K C 2.271 178.994 176.600 0.205 0.000 1.050 227 K CA 1.106 57.450 56.287 0.096 0.000 0.935 227 K CB -0.211 32.212 32.500 -0.127 0.000 0.715 227 K HN 0.219 nan 8.250 nan 0.000 0.439 228 A N 1.096 124.101 122.820 0.307 0.000 1.930 228 A HA -0.215 4.285 4.320 0.300 0.000 0.217 228 A C 2.069 179.748 177.584 0.159 0.000 1.175 228 A CA 1.558 53.770 52.037 0.291 0.000 0.627 228 A CB -0.556 18.574 19.000 0.216 0.000 0.815 228 A HN 0.546 nan 8.150 nan 0.000 0.443 229 Q N -0.575 119.311 119.800 0.144 0.000 2.079 229 Q HA -0.098 4.422 4.340 0.300 0.000 0.200 229 Q C 2.171 178.234 176.000 0.105 0.000 0.974 229 Q CA 1.488 57.360 55.803 0.115 0.000 0.840 229 Q CB -0.326 28.501 28.738 0.148 0.000 0.898 229 Q HN 0.602 nan 8.270 nan 0.000 0.430 230 A N 0.761 123.652 122.820 0.120 0.000 1.898 230 A HA -0.234 4.266 4.320 0.300 0.000 0.216 230 A C 1.881 179.512 177.584 0.079 0.000 1.181 230 A CA 1.614 53.703 52.037 0.086 0.000 0.620 230 A CB -0.646 18.400 19.000 0.077 0.000 0.819 230 A HN 0.619 nan 8.150 nan 0.000 0.442 231 E N -0.370 119.893 120.200 0.104 0.000 2.072 231 E HA -0.176 4.354 4.350 0.300 0.000 0.191 231 E C 1.995 178.636 176.600 0.068 0.000 0.985 231 E CA 1.876 58.336 56.400 0.100 0.000 0.801 231 E CB -0.087 29.710 29.700 0.161 0.000 0.750 231 E HN 0.726 nan 8.360 nan 0.000 0.452 232 T N -4.071 110.519 114.554 0.061 0.000 3.040 232 T HA 0.252 4.782 4.350 0.300 0.000 0.252 232 T C 1.555 176.271 174.700 0.027 0.000 1.064 232 T CA 0.670 62.790 62.100 0.034 0.000 1.110 232 T CB 0.524 69.403 68.868 0.019 0.000 0.921 232 T HN 0.343 nan 8.240 nan 0.000 0.480 233 G N 1.155 109.976 108.800 0.034 0.000 2.179 233 G HA2 -0.209 3.931 3.960 0.300 0.000 0.260 233 G HA3 -0.209 3.931 3.960 0.300 0.000 0.260 233 G C -0.252 174.659 174.900 0.018 0.000 0.977 233 G CA 0.188 45.305 45.100 0.027 0.000 0.641 233 G HN 0.671 nan 8.290 nan 0.000 0.533 234 E N -0.391 119.815 120.200 0.010 0.000 2.195 234 E HA 0.583 5.113 4.350 0.300 0.000 0.271 234 E C 0.364 176.960 176.600 -0.006 0.000 0.923 234 E CA -1.052 55.341 56.400 -0.011 0.000 0.790 234 E CB 1.728 31.407 29.700 -0.034 0.000 1.155 234 E HN 0.302 nan 8.360 nan 0.000 0.402 235 I N 3.150 123.710 120.570 -0.017 0.000 2.648 235 I HA -0.009 4.341 4.170 0.300 0.000 0.284 235 I C 0.399 176.501 176.117 -0.025 0.000 1.153 235 I CA 0.453 61.754 61.300 0.001 0.000 1.426 235 I CB 0.108 38.109 38.000 0.001 0.000 1.381 235 I HN 0.178 nan 8.210 nan 0.000 0.571 236 K N 4.314 124.727 120.400 0.021 0.000 2.350 236 K HA 0.793 5.293 4.320 0.300 0.000 0.241 236 K C -0.292 176.379 176.600 0.117 0.000 0.994 236 K CA -0.749 55.554 56.287 0.026 0.000 0.839 236 K CB 2.170 34.690 32.500 0.034 0.000 1.244 236 K HN 0.774 nan 8.250 nan 0.000 0.443 237 G N 0.145 109.093 108.800 0.247 0.000 2.696 237 G HA2 0.374 4.514 3.960 0.300 0.000 0.295 237 G HA3 0.374 4.514 3.960 0.300 0.000 0.295 237 G C -1.885 173.203 174.900 0.314 0.000 1.398 237 G CA -0.285 45.016 45.100 0.335 0.000 0.920 237 G HN 0.557 nan 8.290 nan 0.000 0.492 238 H N 1.230 120.361 119.070 0.101 0.000 3.013 238 H HA 0.315 5.051 4.556 0.300 0.000 0.326 238 H C -0.988 174.369 175.328 0.049 0.000 0.973 238 H CA -0.561 55.495 56.048 0.014 0.000 1.369 238 H CB 1.063 30.819 29.762 -0.011 0.000 1.598 238 H HN 0.360 nan 8.280 nan 0.000 0.518 239 Y N 5.405 125.411 120.300 -0.491 0.000 2.650 239 Y HA 0.069 4.799 4.550 0.300 0.000 0.342 239 Y C 0.603 176.332 175.900 -0.284 0.000 1.110 239 Y CA -0.469 57.413 58.100 -0.364 0.000 1.438 239 Y CB -0.404 37.826 38.460 -0.384 0.000 1.181 239 Y HN 0.380 nan 8.280 nan 0.000 0.526 240 L N 4.126 125.315 121.223 -0.056 0.000 2.276 240 L HA 0.257 4.777 4.340 0.300 0.000 0.286 240 L C 0.617 177.480 176.870 -0.011 0.000 1.061 240 L CA -0.208 54.509 54.840 -0.204 0.000 0.807 240 L CB 0.590 42.148 42.059 -0.836 0.000 1.177 240 L HN 0.620 nan 8.230 nan 0.000 0.429 241 N N 1.809 120.606 118.700 0.162 0.000 2.431 241 N HA 0.186 5.106 4.740 0.300 0.000 0.265 241 N C 0.551 176.225 175.510 0.273 0.000 1.184 241 N CA -0.062 53.122 53.050 0.222 0.000 0.943 241 N CB 1.064 39.677 38.487 0.210 0.000 1.080 241 N HN 0.789 nan 8.380 nan 0.000 0.477 242 A N 2.710 125.646 122.820 0.194 0.000 2.308 242 A HA 0.088 4.588 4.320 0.300 0.000 0.217 242 A C 0.635 178.269 177.584 0.084 0.000 1.216 242 A CA -0.064 52.039 52.037 0.110 0.000 0.864 242 A CB 0.096 19.131 19.000 0.059 0.000 0.902 242 A HN 0.591 nan 8.150 nan 0.000 0.499 243 T N 1.817 116.468 114.554 0.161 0.000 2.908 243 T HA 0.445 4.975 4.350 0.300 0.000 0.301 243 T C 0.236 174.943 174.700 0.012 0.000 1.019 243 T CA 0.934 63.114 62.100 0.132 0.000 1.152 243 T CB 0.678 69.555 68.868 0.014 0.000 0.966 243 T HN 0.730 nan 8.240 nan 0.000 0.540 244 A N 2.372 125.192 122.820 -0.000 0.000 2.568 244 A HA 0.811 5.311 4.320 0.300 0.000 0.291 244 A C 1.291 178.850 177.584 -0.041 0.000 1.159 244 A CA -0.292 51.707 52.037 -0.062 0.000 0.679 244 A CB 0.597 19.515 19.000 -0.137 0.000 1.285 244 A HN 0.757 nan 8.150 nan 0.000 0.428 245 G N -0.824 107.944 108.800 -0.053 0.000 2.464 245 G HA2 0.348 4.488 3.960 0.300 0.000 0.217 245 G HA3 0.348 4.488 3.960 0.300 0.000 0.217 245 G C 0.685 175.564 174.900 -0.034 0.000 1.138 245 G CA 1.789 46.866 45.100 -0.039 0.000 0.793 245 G HN 1.601 nan 8.290 nan 0.000 0.539 246 T N -4.357 110.170 114.554 -0.045 0.000 2.883 246 T HA 0.299 4.830 4.350 0.300 0.000 0.296 246 T C 0.927 175.594 174.700 -0.054 0.000 1.117 246 T CA -0.229 61.846 62.100 -0.041 0.000 1.006 246 T CB 1.383 70.225 68.868 -0.042 0.000 1.191 246 T HN -0.087 nan 8.240 nan 0.000 0.508 247 C N 0.702 119.973 119.300 -0.048 0.000 2.413 247 C HA -0.029 4.611 4.460 0.300 0.000 0.276 247 C C 2.643 177.578 174.990 -0.090 0.000 1.248 247 C CA 1.056 60.035 59.018 -0.065 0.000 1.742 247 C CB -1.355 26.356 27.740 -0.049 0.000 2.017 247 C HN 1.022 nan 8.230 nan 0.000 0.481 248 E N 1.249 121.403 120.200 -0.076 0.000 2.051 248 E HA -0.165 4.365 4.350 0.300 0.000 0.192 248 E C 1.700 178.231 176.600 -0.116 0.000 0.991 248 E CA 1.440 57.791 56.400 -0.082 0.000 0.799 248 E CB -0.366 29.301 29.700 -0.056 0.000 0.748 248 E HN 0.548 nan 8.360 nan 0.000 0.449 249 D N -0.145 120.181 120.400 -0.124 0.000 2.117 249 D HA -0.145 4.675 4.640 0.300 0.000 0.197 249 D C 1.862 178.001 176.300 -0.268 0.000 0.987 249 D CA 0.834 54.723 54.000 -0.186 0.000 0.829 249 D CB -0.245 40.458 40.800 -0.163 0.000 0.961 249 D HN 0.162 nan 8.370 nan 0.000 0.460 250 M N -0.270 119.208 119.600 -0.203 0.000 2.080 250 M HA -0.192 4.468 4.480 0.300 0.000 0.260 250 M C 1.750 177.898 176.300 -0.255 0.000 1.068 250 M CA 1.304 56.480 55.300 -0.207 0.000 1.109 250 M CB 0.034 32.545 32.600 -0.148 0.000 1.342 250 M HN -0.088 nan 8.290 nan 0.000 0.405 251 M N 0.353 119.805 119.600 -0.246 0.000 2.159 251 M HA -0.175 4.486 4.480 0.300 0.000 0.263 251 M C 1.911 178.046 176.300 -0.276 0.000 1.063 251 M CA 1.757 56.872 55.300 -0.309 0.000 1.110 251 M CB -1.193 31.256 32.600 -0.251 0.000 1.374 251 M HN 0.287 nan 8.290 nan 0.000 0.411 252 K N -0.237 120.030 120.400 -0.223 0.000 2.103 252 K HA -0.142 4.358 4.320 0.300 0.000 0.207 252 K C 2.137 178.610 176.600 -0.212 0.000 1.048 252 K CA 1.265 57.459 56.287 -0.155 0.000 0.930 252 K CB -0.112 32.311 32.500 -0.127 0.000 0.716 252 K HN 0.342 nan 8.250 nan 0.000 0.444 253 R N 0.200 120.397 120.500 -0.504 0.000 2.073 253 R HA -0.024 4.496 4.340 0.300 0.000 0.229 253 R C 2.403 178.759 176.300 0.093 0.000 1.120 253 R CA 1.124 56.893 56.100 -0.551 0.000 0.967 253 R CB -0.306 29.537 30.300 -0.763 0.000 0.862 253 R HN 0.160 nan 8.270 nan 0.000 0.436 254 A N 0.841 123.637 122.820 -0.040 0.000 1.902 254 A HA -0.101 4.399 4.320 0.300 0.000 0.217 254 A C 2.350 180.006 177.584 0.120 0.000 1.181 254 A CA 1.259 53.306 52.037 0.018 0.000 0.623 254 A CB -0.519 18.334 19.000 -0.246 0.000 0.818 254 A HN 0.104 nan 8.150 nan 0.000 0.443 255 V N -1.241 118.686 119.914 0.022 0.000 2.343 255 V HA -0.230 4.070 4.120 0.300 0.000 0.247 255 V C 2.275 178.575 176.094 0.343 0.000 1.051 255 V CA 2.125 64.536 62.300 0.185 0.000 1.036 255 V CB -0.874 31.011 31.823 0.103 0.000 0.654 255 V HN 0.622 nan 8.190 nan 0.000 0.451 256 F N 1.383 121.485 119.950 0.252 0.000 2.234 256 F HA -0.048 4.659 4.527 0.301 0.000 0.299 256 F C 2.232 178.256 175.800 0.374 0.000 1.087 256 F CA 0.885 59.087 58.000 0.338 0.000 1.340 256 F CB -0.690 38.600 39.000 0.483 0.000 1.031 256 F HN 0.086 nan 8.300 nan 0.000 0.500 257 A N 0.566 123.589 122.820 0.339 0.000 1.902 257 A HA -0.176 4.324 4.320 0.300 0.000 0.217 257 A C 2.467 180.095 177.584 0.072 0.000 1.181 257 A CA 1.381 53.494 52.037 0.126 0.000 0.623 257 A CB -0.714 18.367 19.000 0.134 0.000 0.818 257 A HN 0.281 nan 8.150 nan 0.000 0.443 258 R N 0.060 120.658 120.500 0.163 0.000 2.073 258 R HA -0.168 4.352 4.340 0.300 0.000 0.234 258 R C 2.119 178.477 176.300 0.097 0.000 1.134 258 R CA 2.006 58.195 56.100 0.149 0.000 0.952 258 R CB -0.628 29.814 30.300 0.237 0.000 0.850 258 R HN 0.781 nan 8.270 nan 0.000 0.433 259 E N 0.252 120.516 120.200 0.107 0.000 2.118 259 E HA -0.175 4.355 4.350 0.300 0.000 0.195 259 E C 2.014 178.612 176.600 -0.003 0.000 0.992 259 E CA 1.113 57.562 56.400 0.082 0.000 0.804 259 E CB -0.083 29.727 29.700 0.184 0.000 0.741 259 E HN 0.334 nan 8.360 nan 0.000 0.458 260 L N -0.572 120.580 121.223 -0.119 0.000 2.465 260 L HA 0.056 4.576 4.340 0.300 0.000 0.224 260 L C 1.620 178.533 176.870 0.073 0.000 1.145 260 L CA 0.559 55.349 54.840 -0.084 0.000 0.834 260 L CB -0.117 41.813 42.059 -0.215 0.000 0.944 260 L HN 0.448 nan 8.230 nan 0.000 0.451 261 G N 0.463 109.302 108.800 0.064 0.000 2.143 261 G HA2 -0.264 3.876 3.960 0.300 0.000 0.248 261 G HA3 -0.264 3.876 3.960 0.300 0.000 0.248 261 G C 0.407 175.388 174.900 0.134 0.000 0.991 261 G CA 0.276 45.439 45.100 0.104 0.000 0.689 261 G HN 0.274 nan 8.290 nan 0.000 0.522 262 V N -2.138 117.820 119.914 0.073 0.000 3.133 262 V HA 0.695 4.995 4.120 0.300 0.000 0.305 262 V C 0.006 176.116 176.094 0.026 0.000 1.084 262 V CA -0.718 61.595 62.300 0.022 0.000 1.089 262 V CB 1.187 32.972 31.823 -0.063 0.000 1.073 262 V HN 0.091 nan 8.190 nan 0.000 0.477 263 P HA 0.315 nan 4.420 nan 0.000 0.239 263 P C 0.054 177.337 177.300 -0.028 0.000 1.188 263 P CA 0.583 63.689 63.100 0.011 0.000 0.794 263 P CB 0.619 32.347 31.700 0.047 0.000 0.937 264 I N 0.125 120.677 120.570 -0.031 0.000 2.752 264 I HA 0.356 4.706 4.170 0.300 0.000 0.295 264 I C -1.304 174.763 176.117 -0.083 0.000 1.219 264 I CA -1.296 59.944 61.300 -0.100 0.000 1.030 264 I CB 2.565 40.439 38.000 -0.210 0.000 1.259 264 I HN -0.290 nan 8.210 nan 0.000 0.423 265 V N 4.384 124.241 119.914 -0.095 0.000 3.113 265 V HA 0.741 5.041 4.120 0.300 0.000 0.316 265 V C -0.475 175.591 176.094 -0.046 0.000 1.125 265 V CA -0.798 61.477 62.300 -0.042 0.000 1.026 265 V CB 1.824 33.660 31.823 0.020 0.000 1.080 265 V HN 0.918 nan 8.190 nan 0.000 0.444 266 M N 1.147 120.781 119.600 0.057 0.000 2.658 266 M HA 0.834 5.494 4.480 0.300 0.000 0.295 266 M C -1.159 175.268 176.300 0.212 0.000 1.248 266 M CA -0.499 54.879 55.300 0.130 0.000 0.843 266 M CB 2.283 35.044 32.600 0.268 0.000 1.749 266 M HN 0.989 nan 8.290 nan 0.000 0.464 267 H N -0.578 118.539 119.070 0.078 0.000 2.996 267 H HA 0.471 5.207 4.556 0.300 0.000 0.368 267 H C -2.047 173.343 175.328 0.102 0.000 1.185 267 H CA -0.514 55.572 56.048 0.064 0.000 1.160 267 H CB 1.922 31.696 29.762 0.020 0.000 1.820 267 H HN 0.775 nan 8.280 nan 0.000 0.547 268 D N 4.472 124.589 120.400 -0.472 0.000 2.456 268 D HA 0.016 4.837 4.640 0.300 0.000 0.219 268 D C 0.692 176.719 176.300 -0.454 0.000 1.126 268 D CA -0.227 53.605 54.000 -0.280 0.000 0.890 268 D CB 0.082 40.741 40.800 -0.235 0.000 1.025 268 D HN 0.601 nan 8.370 nan 0.000 0.511 269 Y N 1.435 121.520 120.300 -0.358 0.000 2.333 269 Y HA -0.097 4.634 4.550 0.300 0.000 0.290 269 Y C 1.271 176.932 175.900 -0.397 0.000 1.144 269 Y CA 0.997 58.926 58.100 -0.284 0.000 1.228 269 Y CB -0.478 37.903 38.460 -0.132 0.000 0.985 269 Y HN 0.252 nan 8.280 nan 0.000 0.542 270 L N 0.308 121.109 121.223 -0.703 0.000 2.168 270 L HA -0.044 4.476 4.340 0.300 0.000 0.203 270 L C 2.635 179.274 176.870 -0.385 0.000 1.078 270 L CA 1.466 55.887 54.840 -0.698 0.000 0.780 270 L CB -0.840 40.845 42.059 -0.623 0.000 0.939 270 L HN 0.398 nan 8.230 nan 0.000 0.451 271 T N -3.249 111.132 114.554 -0.289 0.000 2.942 271 T HA -0.015 4.515 4.350 0.300 0.000 0.265 271 T C 1.881 176.477 174.700 -0.173 0.000 1.062 271 T CA 0.872 62.852 62.100 -0.199 0.000 1.139 271 T CB -0.515 68.254 68.868 -0.164 0.000 0.883 271 T HN 0.320 nan 8.240 nan 0.000 0.468 272 G N 1.322 109.991 108.800 -0.219 0.000 2.396 272 G HA2 0.438 4.578 3.960 0.300 0.000 0.214 272 G HA3 0.438 4.578 3.960 0.300 0.000 0.214 272 G C 0.850 175.729 174.900 -0.035 0.000 1.166 272 G CA 0.212 45.251 45.100 -0.101 0.000 0.793 272 G HN 1.238 nan 8.290 nan 0.000 0.533 273 G N -1.912 106.816 108.800 -0.120 0.000 2.539 273 G HA2 -0.001 4.140 3.960 0.300 0.000 0.686 273 G HA3 -0.001 4.140 3.960 0.300 0.000 0.686 273 G C 0.113 174.976 174.900 -0.062 0.000 1.258 273 G CA -0.197 44.825 45.100 -0.131 0.000 0.846 273 G HN 0.070 nan 8.290 nan 0.000 0.647 274 F N 0.642 120.656 119.950 0.106 0.000 2.134 274 F HA -0.007 4.700 4.527 0.300 0.000 0.299 274 F C 3.123 178.965 175.800 0.072 0.000 1.097 274 F CA 2.298 60.370 58.000 0.120 0.000 1.264 274 F CB -0.676 38.388 39.000 0.106 0.000 1.001 274 F HN 0.558 nan 8.300 nan 0.000 0.479 275 T N -0.082 114.607 114.554 0.225 0.000 2.652 275 T HA -0.213 4.317 4.350 0.300 0.000 0.267 275 T C 2.311 177.042 174.700 0.052 0.000 1.039 275 T CA 1.528 63.696 62.100 0.114 0.000 1.153 275 T CB -0.731 68.189 68.868 0.086 0.000 0.863 275 T HN 0.288 nan 8.240 nan 0.000 0.428 276 A N 1.885 124.736 122.820 0.052 0.000 1.930 276 A HA -0.132 4.368 4.320 0.300 0.000 0.217 276 A C 2.259 179.794 177.584 -0.082 0.000 1.175 276 A CA 1.590 53.623 52.037 -0.008 0.000 0.627 276 A CB -0.785 18.238 19.000 0.039 0.000 0.815 276 A HN 0.556 nan 8.150 nan 0.000 0.443 277 N N -0.471 118.252 118.700 0.039 0.000 2.120 277 N HA -0.142 4.778 4.740 0.300 0.000 0.188 277 N C 1.546 177.023 175.510 -0.055 0.000 1.024 277 N CA 1.978 55.032 53.050 0.007 0.000 0.852 277 N CB -0.125 38.514 38.487 0.253 0.000 1.003 277 N HN 0.435 nan 8.380 nan 0.000 0.424 278 T N -0.284 114.249 114.554 -0.035 0.000 2.821 278 T HA -0.068 4.462 4.350 0.300 0.000 0.267 278 T C 1.839 176.302 174.700 -0.395 0.000 1.046 278 T CA 1.465 63.451 62.100 -0.191 0.000 1.139 278 T CB -0.526 68.263 68.868 -0.131 0.000 0.871 278 T HN 0.286 nan 8.240 nan 0.000 0.454 279 T N 2.228 116.644 114.554 -0.230 0.000 2.708 279 T HA -0.034 4.496 4.350 0.300 0.000 0.266 279 T C 1.866 176.512 174.700 -0.090 0.000 1.037 279 T CA 0.839 62.843 62.100 -0.160 0.000 1.146 279 T CB -0.421 68.392 68.868 -0.093 0.000 0.865 279 T HN 0.104 nan 8.240 nan 0.000 0.435 280 L N 0.960 122.103 121.223 -0.133 0.000 2.056 280 L HA 0.046 4.566 4.340 0.300 0.000 0.207 280 L C 2.621 179.499 176.870 0.013 0.000 1.078 280 L CA 1.706 56.494 54.840 -0.086 0.000 0.749 280 L CB -1.044 40.855 42.059 -0.267 0.000 0.901 280 L HN 0.177 nan 8.230 nan 0.000 0.433 281 S N -1.446 114.230 115.700 -0.040 0.000 2.370 281 S HA -0.247 4.403 4.470 0.300 0.000 0.226 281 S C 2.078 176.759 174.600 0.134 0.000 1.033 281 S CA 1.425 59.636 58.200 0.018 0.000 1.011 281 S CB -0.396 62.803 63.200 -0.001 0.000 0.852 281 S HN 0.667 nan 8.310 nan 0.000 0.457 282 H N -0.771 118.307 119.070 0.013 0.000 2.357 282 H HA -0.005 4.731 4.556 0.300 0.000 0.301 282 H C 1.776 177.111 175.328 0.012 0.000 1.082 282 H CA 1.548 57.598 56.048 0.002 0.000 1.342 282 H CB -1.091 28.679 29.762 0.014 0.000 1.389 282 H HN 0.637 nan 8.280 nan 0.000 0.511 283 Y N 0.608 120.960 120.300 0.087 0.000 2.181 283 Y HA -0.243 4.486 4.550 0.300 0.000 0.288 283 Y C 2.462 178.384 175.900 0.036 0.000 1.146 283 Y CA 1.288 59.414 58.100 0.043 0.000 1.164 283 Y CB -0.590 37.878 38.460 0.013 0.000 0.982 283 Y HN 0.144 nan 8.280 nan 0.000 0.515 284 C N 0.181 119.525 119.300 0.074 0.000 2.425 284 C HA -0.126 4.514 4.460 0.300 0.000 0.277 284 C C 2.752 177.725 174.990 -0.028 0.000 1.280 284 C CA 1.411 60.449 59.018 0.033 0.000 1.744 284 C CB -1.205 26.587 27.740 0.088 0.000 1.989 284 C HN 0.588 nan 8.230 nan 0.000 0.491 285 R N 1.807 122.251 120.500 -0.093 0.000 2.075 285 R HA -0.081 4.439 4.340 0.300 0.000 0.232 285 R C 1.505 177.733 176.300 -0.119 0.000 1.126 285 R CA 1.989 57.983 56.100 -0.177 0.000 0.963 285 R CB -0.876 29.325 30.300 -0.166 0.000 0.858 285 R HN 0.401 nan 8.270 nan 0.000 0.435 286 D N -0.136 120.176 120.400 -0.148 0.000 2.264 286 D HA -0.070 4.750 4.640 0.300 0.000 0.208 286 D C 0.440 176.620 176.300 -0.200 0.000 0.966 286 D CA 0.933 54.834 54.000 -0.165 0.000 0.864 286 D CB -0.029 40.661 40.800 -0.184 0.000 0.933 286 D HN 0.356 nan 8.370 nan 0.000 0.499 287 N N -0.694 117.847 118.700 -0.266 0.000 2.200 287 N HA 0.130 5.050 4.740 0.300 0.000 0.224 287 N C 0.812 176.281 175.510 -0.067 0.000 1.179 287 N CA 0.343 53.259 53.050 -0.224 0.000 0.877 287 N CB 1.779 39.992 38.487 -0.456 0.000 1.072 287 N HN 0.068 nan 8.380 nan 0.000 0.519 288 G N 1.577 110.396 108.800 0.031 0.000 2.198 288 G HA2 -0.271 3.869 3.960 0.300 0.000 0.260 288 G HA3 -0.271 3.869 3.960 0.300 0.000 0.260 288 G C -0.162 174.749 174.900 0.018 0.000 1.025 288 G CA 0.166 45.321 45.100 0.091 0.000 0.769 288 G HN 0.249 nan 8.290 nan 0.000 0.507 289 L N -0.153 121.135 121.223 0.108 0.000 2.309 289 L HA 0.585 5.105 4.340 0.300 0.000 0.282 289 L C 1.072 177.986 176.870 0.074 0.000 1.036 289 L CA -1.072 53.796 54.840 0.046 0.000 0.806 289 L CB 1.371 43.477 42.059 0.078 0.000 1.220 289 L HN 0.049 nan 8.230 nan 0.000 0.429 290 L N 3.559 124.736 121.223 -0.077 0.000 2.417 290 L HA 0.255 4.776 4.340 0.300 0.000 0.268 290 L C -0.440 176.345 176.870 -0.143 0.000 1.158 290 L CA -0.309 54.473 54.840 -0.096 0.000 0.819 290 L CB 1.028 42.956 42.059 -0.218 0.000 1.112 290 L HN 0.380 nan 8.230 nan 0.000 0.458 291 L N 2.862 123.978 121.223 -0.179 0.000 2.342 291 L HA 0.345 4.865 4.340 0.300 0.000 0.276 291 L C -0.572 176.080 176.870 -0.363 0.000 0.997 291 L CA -0.251 54.468 54.840 -0.201 0.000 0.838 291 L CB 1.009 43.013 42.059 -0.092 0.000 1.224 291 L HN 0.468 nan 8.230 nan 0.000 0.416 292 H N 5.414 124.151 119.070 -0.556 0.000 2.527 292 H HA 0.590 5.326 4.556 0.300 0.000 0.321 292 H C -0.902 174.269 175.328 -0.263 0.000 1.087 292 H CA -0.445 55.227 56.048 -0.627 0.000 1.337 292 H CB 0.764 29.911 29.762 -1.025 0.000 1.440 292 H HN 0.514 nan 8.280 nan 0.000 0.490 293 I N 5.733 125.889 120.570 -0.691 0.000 2.378 293 I HA 0.165 4.515 4.170 0.300 0.000 0.291 293 I C 0.086 175.954 176.117 -0.415 0.000 0.992 293 I CA -0.525 60.538 61.300 -0.394 0.000 1.154 293 I CB 1.178 38.968 38.000 -0.350 0.000 1.315 293 I HN 0.705 nan 8.210 nan 0.000 0.448 294 H N 5.984 124.960 119.070 -0.157 0.000 2.467 294 H HA 0.336 5.072 4.556 0.300 0.000 0.331 294 H C 0.471 175.799 175.328 0.000 0.000 1.120 294 H CA -0.310 55.622 56.048 -0.194 0.000 1.270 294 H CB 1.845 31.507 29.762 -0.167 0.000 1.466 294 H HN 0.488 nan 8.280 nan 0.000 0.504 295 R N 1.593 122.171 120.500 0.131 0.000 2.586 295 R HA 0.442 4.962 4.340 0.300 0.000 0.306 295 R C 0.175 176.563 176.300 0.145 0.000 1.079 295 R CA -0.558 55.670 56.100 0.214 0.000 1.083 295 R CB 0.155 30.531 30.300 0.126 0.000 1.306 295 R HN 0.348 nan 8.270 nan 0.000 0.567 296 A N 1.706 124.563 122.820 0.061 0.000 2.598 296 A HA 0.052 4.552 4.320 0.300 0.000 0.239 296 A C 0.975 178.537 177.584 -0.038 0.000 1.032 296 A CA 1.000 53.033 52.037 -0.008 0.000 0.760 296 A CB -0.171 18.765 19.000 -0.107 0.000 0.946 296 A HN 0.879 nan 8.150 nan 0.000 0.512 297 M N 0.622 120.190 119.600 -0.055 0.000 2.995 297 M HA -0.309 4.351 4.480 0.300 0.000 0.207 297 M C 1.001 177.229 176.300 -0.121 0.000 0.593 297 M CA 2.036 57.270 55.300 -0.110 0.000 0.791 297 M CB -2.139 30.386 32.600 -0.125 0.000 2.827 297 M HN 1.276 nan 8.290 nan 0.000 0.293 298 H N -0.400 118.613 119.070 -0.096 0.000 2.390 298 H HA 0.178 4.914 4.556 0.300 0.000 0.298 298 H C 1.755 177.046 175.328 -0.061 0.000 1.106 298 H CA 2.149 58.164 56.048 -0.055 0.000 1.297 298 H CB -0.647 29.130 29.762 0.024 0.000 1.375 298 H HN 0.526 nan 8.280 nan 0.000 0.509 299 A N 1.101 123.364 122.820 -0.928 0.000 2.121 299 A HA -0.031 4.469 4.320 0.300 0.000 0.218 299 A C 2.497 179.920 177.584 -0.269 0.000 1.154 299 A CA 1.183 52.864 52.037 -0.594 0.000 0.679 299 A CB -0.741 17.911 19.000 -0.579 0.000 0.795 299 A HN 0.375 nan 8.150 nan 0.000 0.458 300 V N -0.360 119.424 119.914 -0.217 0.000 2.626 300 V HA -0.211 4.090 4.120 0.300 0.000 0.252 300 V C 2.164 178.202 176.094 -0.095 0.000 1.067 300 V CA 1.998 64.219 62.300 -0.132 0.000 1.081 300 V CB -0.454 31.299 31.823 -0.118 0.000 0.686 300 V HN 0.615 nan 8.190 nan 0.000 0.468 301 I N 0.424 120.933 120.570 -0.102 0.000 3.172 301 I HA 0.008 4.358 4.170 0.300 0.000 0.278 301 I C 1.682 177.770 176.117 -0.049 0.000 1.174 301 I CA 0.954 62.207 61.300 -0.078 0.000 1.445 301 I CB -0.048 37.893 38.000 -0.098 0.000 1.175 301 I HN 0.434 nan 8.210 nan 0.000 0.447 302 D N -0.128 120.244 120.400 -0.046 0.000 2.398 302 D HA -0.039 4.782 4.640 0.300 0.000 0.210 302 D C 1.808 178.084 176.300 -0.040 0.000 1.094 302 D CA -0.042 53.939 54.000 -0.032 0.000 0.839 302 D CB -0.010 40.797 40.800 0.013 0.000 0.963 302 D HN -0.001 nan 8.370 nan 0.000 0.506 303 R N 0.145 120.618 120.500 -0.044 0.000 2.062 303 R HA 0.012 4.532 4.340 0.300 0.000 0.229 303 R C 0.430 176.743 176.300 0.022 0.000 1.128 303 R CA 0.996 57.081 56.100 -0.026 0.000 0.960 303 R CB -0.058 30.209 30.300 -0.056 0.000 0.855 303 R HN 0.036 nan 8.270 nan 0.000 0.432 304 Q N 0.857 120.680 119.800 0.039 0.000 2.288 304 Q HA 0.007 4.528 4.340 0.300 0.000 0.254 304 Q C 0.114 176.174 176.000 0.100 0.000 0.932 304 Q CA 0.222 56.066 55.803 0.069 0.000 0.902 304 Q CB 1.515 30.299 28.738 0.076 0.000 1.203 304 Q HN 0.207 nan 8.270 nan 0.000 0.415 305 K N 2.509 122.971 120.400 0.103 0.000 2.217 305 K HA -0.132 4.368 4.320 0.300 0.000 0.202 305 K C 1.223 177.894 176.600 0.117 0.000 1.051 305 K CA 1.272 57.631 56.287 0.120 0.000 0.952 305 K CB 0.325 32.889 32.500 0.106 0.000 0.736 305 K HN 0.584 nan 8.250 nan 0.000 0.453 306 N N -0.765 118.006 118.700 0.119 0.000 2.415 306 N HA -0.118 4.802 4.740 0.300 0.000 0.176 306 N C -0.220 175.410 175.510 0.200 0.000 1.042 306 N CA 0.771 53.900 53.050 0.132 0.000 0.902 306 N CB 0.045 38.601 38.487 0.115 0.000 0.986 306 N HN 0.207 nan 8.380 nan 0.000 0.447 307 H N -1.391 117.741 119.070 0.104 0.000 2.954 307 H HA 0.571 5.307 4.556 0.300 0.000 0.361 307 H C 0.114 175.535 175.328 0.155 0.000 1.122 307 H CA 0.384 56.523 56.048 0.152 0.000 1.217 307 H CB 1.574 31.411 29.762 0.125 0.000 1.776 307 H HN 0.341 nan 8.280 nan 0.000 0.533 308 G N 2.458 111.220 108.800 -0.063 0.000 2.250 308 G HA2 0.000 4.140 3.960 0.300 0.000 0.196 308 G HA3 0.000 4.140 3.960 0.300 0.000 0.196 308 G C -1.478 173.420 174.900 -0.002 0.000 1.308 308 G CA -0.344 44.734 45.100 -0.036 0.000 1.207 308 G HN 0.636 nan 8.290 nan 0.000 0.505 309 M N 0.811 120.383 119.600 -0.046 0.000 2.324 309 M HA 0.369 5.029 4.480 0.300 0.000 0.288 309 M C -0.408 175.903 176.300 0.017 0.000 1.097 309 M CA -0.799 54.478 55.300 -0.037 0.000 0.928 309 M CB 2.373 34.864 32.600 -0.182 0.000 1.648 309 M HN 0.749 nan 8.290 nan 0.000 0.460 310 H N 1.876 120.954 119.070 0.014 0.000 2.771 310 H HA 0.050 4.786 4.556 0.300 0.000 0.364 310 H C 0.165 175.535 175.328 0.069 0.000 1.133 310 H CA 0.874 56.967 56.048 0.076 0.000 1.423 310 H CB 0.864 30.680 29.762 0.090 0.000 1.425 310 H HN 0.773 nan 8.280 nan 0.000 0.606 311 F N 4.872 124.564 119.950 -0.430 0.000 2.202 311 F HA -0.220 4.488 4.527 0.301 0.000 0.301 311 F C 2.639 178.378 175.800 -0.101 0.000 1.082 311 F CA 1.779 59.628 58.000 -0.252 0.000 1.313 311 F CB -0.136 38.589 39.000 -0.459 0.000 1.024 311 F HN 0.685 nan 8.300 nan 0.000 0.495 312 R N -0.269 120.292 120.500 0.102 0.000 2.127 312 R HA -0.141 4.380 4.340 0.300 0.000 0.238 312 R C 1.774 178.041 176.300 -0.055 0.000 1.134 312 R CA 1.976 58.090 56.100 0.024 0.000 0.975 312 R CB -1.471 29.014 30.300 0.308 0.000 0.865 312 R HN 0.301 nan 8.270 nan 0.000 0.447 313 V N 1.798 121.714 119.914 0.003 0.000 2.379 313 V HA -0.155 4.146 4.120 0.300 0.000 0.245 313 V C 2.464 178.587 176.094 0.049 0.000 1.044 313 V CA 1.473 63.801 62.300 0.048 0.000 1.036 313 V CB -0.380 31.477 31.823 0.055 0.000 0.664 313 V HN 0.278 nan 8.190 nan 0.000 0.453 314 L N 0.125 121.292 121.223 -0.093 0.000 2.141 314 L HA -0.109 4.411 4.340 0.300 0.000 0.209 314 L C 2.668 179.459 176.870 -0.132 0.000 1.094 314 L CA 1.339 56.184 54.840 0.009 0.000 0.763 314 L CB -0.739 41.299 42.059 -0.035 0.000 0.908 314 L HN 0.361 nan 8.230 nan 0.000 0.437 315 A N 0.138 122.603 122.820 -0.592 0.000 1.897 315 A HA -0.166 4.334 4.320 0.300 0.000 0.215 315 A C 2.348 179.842 177.584 -0.151 0.000 1.181 315 A CA 1.293 53.041 52.037 -0.482 0.000 0.620 315 A CB -0.235 18.398 19.000 -0.612 0.000 0.821 315 A HN 0.262 nan 8.150 nan 0.000 0.443 316 K N -0.226 120.157 120.400 -0.029 0.000 2.057 316 K HA -0.072 4.428 4.320 0.300 0.000 0.207 316 K C 2.313 178.930 176.600 0.029 0.000 1.049 316 K CA 1.101 57.473 56.287 0.142 0.000 0.931 316 K CB -0.332 32.286 32.500 0.197 0.000 0.714 316 K HN 0.429 nan 8.250 nan 0.000 0.440 317 A N 1.923 124.738 122.820 -0.009 0.000 1.908 317 A HA -0.167 4.333 4.320 0.300 0.000 0.218 317 A C 2.049 179.616 177.584 -0.027 0.000 1.181 317 A CA 1.128 53.087 52.037 -0.129 0.000 0.627 317 A CB -0.568 18.385 19.000 -0.079 0.000 0.818 317 A HN 0.258 nan 8.150 nan 0.000 0.445 318 L N -0.407 120.844 121.223 0.045 0.000 2.056 318 L HA -0.106 4.414 4.340 0.300 0.000 0.207 318 L C 2.450 179.216 176.870 -0.174 0.000 1.078 318 L CA 2.283 57.044 54.840 -0.130 0.000 0.749 318 L CB -0.821 40.962 42.059 -0.460 0.000 0.901 318 L HN 0.545 nan 8.230 nan 0.000 0.433 319 R N -0.436 119.948 120.500 -0.194 0.000 2.120 319 R HA -0.148 4.372 4.340 0.300 0.000 0.234 319 R C 2.342 178.525 176.300 -0.194 0.000 1.123 319 R CA 1.195 57.138 56.100 -0.261 0.000 0.975 319 R CB -0.028 29.978 30.300 -0.490 0.000 0.866 319 R HN 0.412 nan 8.270 nan 0.000 0.446 320 L N -0.811 120.289 121.223 -0.205 0.000 2.049 320 L HA -0.090 4.430 4.340 0.300 0.000 0.203 320 L C 2.597 179.383 176.870 -0.140 0.000 1.074 320 L CA 1.297 55.917 54.840 -0.367 0.000 0.749 320 L CB -0.633 40.826 42.059 -0.999 0.000 0.907 320 L HN 0.222 nan 8.230 nan 0.000 0.439 321 S N -0.747 114.900 115.700 -0.087 0.000 2.359 321 S HA -0.007 4.643 4.470 0.300 0.000 0.224 321 S C 0.844 175.478 174.600 0.057 0.000 1.035 321 S CA 1.182 59.433 58.200 0.084 0.000 1.018 321 S CB -0.298 63.011 63.200 0.180 0.000 0.876 321 S HN 0.621 nan 8.310 nan 0.000 0.448 322 G N -1.660 107.129 108.800 -0.018 0.000 2.957 322 G HA2 0.433 4.573 3.960 0.300 0.000 0.636 322 G HA3 0.433 4.573 3.960 0.300 0.000 0.636 322 G C -0.343 174.500 174.900 -0.094 0.000 1.401 322 G CA -0.436 44.637 45.100 -0.045 0.000 0.941 322 G HN 1.089 nan 8.290 nan 0.000 0.610 323 G N 0.469 109.193 108.800 -0.127 0.000 2.691 323 G HA2 0.592 4.732 3.960 0.300 0.000 0.298 323 G HA3 0.592 4.732 3.960 0.300 0.000 0.298 323 G C -0.154 174.664 174.900 -0.137 0.000 1.471 323 G CA 0.196 45.202 45.100 -0.158 0.000 0.912 323 G HN 0.372 nan 8.290 nan 0.000 0.553 324 D N -0.282 120.034 120.400 -0.140 0.000 2.271 324 D HA 0.092 4.912 4.640 0.300 0.000 0.206 324 D C 0.425 176.762 176.300 0.062 0.000 0.967 324 D CA 1.089 55.051 54.000 -0.063 0.000 0.867 324 D CB 0.362 41.117 40.800 -0.076 0.000 0.960 324 D HN 0.594 nan 8.370 nan 0.000 0.509 325 H N -0.968 117.972 119.070 -0.216 0.000 2.865 325 H HA 0.629 5.365 4.556 0.301 0.000 0.372 325 H C -0.813 174.317 175.328 -0.331 0.000 1.173 325 H CA -0.877 55.025 56.048 -0.244 0.000 1.147 325 H CB 3.141 32.745 29.762 -0.265 0.000 1.805 325 H HN -0.161 nan 8.280 nan 0.000 0.553 326 I N 1.209 121.706 120.570 -0.123 0.000 2.722 326 I HA 0.148 4.498 4.170 0.300 0.000 0.292 326 I C -0.715 175.368 176.117 -0.056 0.000 1.267 326 I CA -0.543 60.672 61.300 -0.142 0.000 1.036 326 I CB 1.920 39.858 38.000 -0.104 0.000 1.281 326 I HN 0.691 nan 8.210 nan 0.000 0.423 327 H N 4.902 123.850 119.070 -0.203 0.000 2.928 327 H HA 0.104 4.840 4.556 0.301 0.000 0.338 327 H C 0.487 175.728 175.328 -0.144 0.000 1.047 327 H CA 0.781 56.728 56.048 -0.169 0.000 1.435 327 H CB 1.046 30.708 29.762 -0.166 0.000 1.428 327 H HN 0.656 nan 8.280 nan 0.000 0.590 328 S N 1.695 117.362 115.700 -0.055 0.000 2.733 328 S HA 0.322 4.972 4.470 0.300 0.000 0.247 328 S C 0.823 175.500 174.600 0.128 0.000 1.043 328 S CA 0.065 58.331 58.200 0.111 0.000 1.066 328 S CB 1.101 64.497 63.200 0.326 0.000 1.045 328 S HN 1.084 nan 8.310 nan 0.000 0.586 329 G N 1.183 109.973 108.800 -0.017 0.000 2.663 329 G HA2 -0.023 4.117 3.960 0.300 0.000 0.686 329 G HA3 -0.023 4.117 3.960 0.300 0.000 0.686 329 G C 0.225 175.175 174.900 0.083 0.000 1.288 329 G CA 0.162 45.284 45.100 0.036 0.000 0.836 329 G HN 1.005 nan 8.290 nan 0.000 0.584 330 T N -3.170 111.423 114.554 0.065 0.000 2.959 330 T HA 0.464 4.994 4.350 0.300 0.000 0.254 330 T C 1.819 176.587 174.700 0.113 0.000 1.003 330 T CA 1.397 63.552 62.100 0.091 0.000 0.950 330 T CB 0.445 69.263 68.868 -0.083 0.000 1.090 330 T HN 2.296 nan 8.240 nan 0.000 0.503 331 V N 0.810 120.760 119.914 0.061 0.000 0.508 331 V HA -0.338 3.962 4.120 0.300 0.000 0.092 331 V C 2.095 178.189 176.094 -0.000 0.000 2.282 331 V CA 1.979 64.291 62.300 0.021 0.000 3.591 331 V CB -1.976 29.832 31.823 -0.024 0.000 0.878 331 V HN 0.713 nan 8.190 nan 0.000 0.919 332 V N -0.673 119.209 119.914 -0.054 0.000 3.541 332 V HA 0.602 4.903 4.120 0.300 0.000 0.267 332 V C 1.334 177.336 176.094 -0.153 0.000 1.213 332 V CA 1.443 63.678 62.300 -0.107 0.000 1.149 332 V CB -0.328 31.368 31.823 -0.211 0.000 0.822 332 V HN 0.949 nan 8.190 nan 0.000 0.462 333 G N 1.367 110.064 108.800 -0.172 0.000 2.494 333 G HA2 0.241 4.381 3.960 0.300 0.000 0.270 333 G HA3 0.241 4.381 3.960 0.300 0.000 0.270 333 G C 0.773 175.467 174.900 -0.342 0.000 1.423 333 G CA 0.058 45.022 45.100 -0.226 0.000 1.055 333 G HN 0.522 nan 8.290 nan 0.000 0.536 334 K N -1.258 118.705 120.400 -0.730 0.000 2.366 334 K HA 0.153 4.653 4.320 0.300 0.000 0.198 334 K C 0.400 176.810 176.600 -0.317 0.000 1.044 334 K CA 0.395 56.177 56.287 -0.842 0.000 0.973 334 K CB -0.197 31.724 32.500 -0.965 0.000 0.767 334 K HN 0.227 nan 8.250 nan 0.000 0.475 335 L N 1.832 122.935 121.223 -0.200 0.000 2.334 335 L HA 0.312 4.832 4.340 0.300 0.000 0.272 335 L C 0.057 176.906 176.870 -0.035 0.000 1.020 335 L CA -1.089 53.692 54.840 -0.099 0.000 0.812 335 L CB 1.736 43.755 42.059 -0.065 0.000 1.264 335 L HN 0.131 nan 8.230 nan 0.000 0.439 336 E N 0.887 121.082 120.200 -0.009 0.000 2.413 336 E HA 0.397 4.927 4.350 0.300 0.000 0.263 336 E C -0.337 176.302 176.600 0.065 0.000 1.015 336 E CA 0.057 56.479 56.400 0.035 0.000 0.916 336 E CB 0.789 30.507 29.700 0.031 0.000 0.947 336 E HN 0.758 nan 8.360 nan 0.000 0.440 337 G N 4.028 112.879 108.800 0.085 0.000 1.885 337 G HA2 0.028 4.168 3.960 0.300 0.000 0.309 337 G HA3 0.028 4.168 3.960 0.300 0.000 0.309 337 G C -1.176 173.775 174.900 0.085 0.000 1.751 337 G CA -0.739 44.430 45.100 0.114 0.000 0.949 337 G HN 0.394 nan 8.290 nan 0.000 0.564 338 E N 1.615 121.872 120.200 0.096 0.000 2.331 338 E HA 0.198 4.728 4.350 0.300 0.000 0.272 338 E C 1.382 177.982 176.600 -0.001 0.000 1.036 338 E CA -0.641 55.793 56.400 0.056 0.000 0.864 338 E CB 2.138 31.884 29.700 0.075 0.000 1.035 338 E HN 0.653 nan 8.360 nan 0.000 0.408 339 R N 2.300 122.781 120.500 -0.033 0.000 2.094 339 R HA -0.206 4.314 4.340 0.300 0.000 0.239 339 R C 0.936 177.164 176.300 -0.120 0.000 1.137 339 R CA 2.008 58.051 56.100 -0.095 0.000 0.943 339 R CB 0.110 30.361 30.300 -0.083 0.000 0.850 339 R HN 0.449 nan 8.270 nan 0.000 0.433 340 D N 0.170 120.526 120.400 -0.073 0.000 2.117 340 D HA -0.127 4.694 4.640 0.300 0.000 0.198 340 D C 1.990 178.239 176.300 -0.085 0.000 0.982 340 D CA 1.176 55.131 54.000 -0.075 0.000 0.828 340 D CB -0.138 40.637 40.800 -0.041 0.000 0.967 340 D HN 0.344 nan 8.370 nan 0.000 0.464 341 I N 0.906 121.452 120.570 -0.039 0.000 2.226 341 I HA -0.238 4.113 4.170 0.300 0.000 0.245 341 I C 2.261 178.238 176.117 -0.234 0.000 1.100 341 I CA 1.019 62.326 61.300 0.013 0.000 1.374 341 I CB -0.233 37.885 38.000 0.196 0.000 1.057 341 I HN -0.012 nan 8.210 nan 0.000 0.413 342 T N 1.320 115.637 114.554 -0.395 0.000 2.708 342 T HA -0.137 4.393 4.350 0.300 0.000 0.266 342 T C 1.936 176.177 174.700 -0.765 0.000 1.037 342 T CA 1.242 62.788 62.100 -0.924 0.000 1.146 342 T CB -0.354 68.275 68.868 -0.397 0.000 0.865 342 T HN 0.237 nan 8.240 nan 0.000 0.435 343 L N 0.724 121.709 121.223 -0.396 0.000 2.127 343 L HA -0.035 4.485 4.340 0.300 0.000 0.211 343 L C 2.939 179.699 176.870 -0.184 0.000 1.089 343 L CA 1.197 55.880 54.840 -0.260 0.000 0.757 343 L CB -0.968 40.979 42.059 -0.187 0.000 0.899 343 L HN 0.363 nan 8.230 nan 0.000 0.434 344 G N 1.051 109.743 108.800 -0.179 0.000 2.433 344 G HA2 -0.312 3.828 3.960 0.300 0.000 0.216 344 G HA3 -0.312 3.828 3.960 0.300 0.000 0.216 344 G C 1.290 176.229 174.900 0.065 0.000 1.186 344 G CA 0.993 46.068 45.100 -0.040 0.000 0.779 344 G HN 0.489 nan 8.290 nan 0.000 0.543 345 F N 0.451 120.489 119.950 0.147 0.000 2.558 345 F HA 0.285 4.992 4.527 0.300 0.000 0.298 345 F C 2.118 178.009 175.800 0.151 0.000 1.119 345 F CA -0.133 57.969 58.000 0.170 0.000 1.451 345 F CB -0.772 38.373 39.000 0.241 0.000 1.091 345 F HN -0.011 nan 8.300 nan 0.000 0.563 346 V N 1.198 121.203 119.914 0.152 0.000 2.427 346 V HA -0.224 4.076 4.120 0.300 0.000 0.248 346 V C 2.055 178.226 176.094 0.129 0.000 1.051 346 V CA 2.217 64.627 62.300 0.184 0.000 1.048 346 V CB -0.623 31.262 31.823 0.104 0.000 0.666 346 V HN 0.224 nan 8.190 nan 0.000 0.456 347 D N 0.083 120.538 120.400 0.092 0.000 2.144 347 D HA -0.104 4.716 4.640 0.300 0.000 0.199 347 D C 2.075 178.451 176.300 0.127 0.000 0.984 347 D CA 1.097 55.152 54.000 0.091 0.000 0.834 347 D CB -0.212 40.633 40.800 0.074 0.000 0.955 347 D HN 0.331 nan 8.370 nan 0.000 0.465 348 L N 0.002 121.336 121.223 0.185 0.000 2.275 348 L HA -0.090 4.430 4.340 0.300 0.000 0.215 348 L C 2.249 179.164 176.870 0.076 0.000 1.119 348 L CA 0.463 55.460 54.840 0.261 0.000 0.790 348 L CB -0.111 42.142 42.059 0.323 0.000 0.919 348 L HN 0.051 nan 8.230 nan 0.000 0.443 349 L N -1.265 119.973 121.223 0.025 0.000 2.249 349 L HA -0.019 4.502 4.340 0.300 0.000 0.207 349 L C 2.599 179.355 176.870 -0.189 0.000 1.090 349 L CA 0.709 55.476 54.840 -0.122 0.000 0.802 349 L CB -0.131 41.935 42.059 0.013 0.000 0.947 349 L HN 0.136 nan 8.230 nan 0.000 0.453 350 R N -0.871 119.581 120.500 -0.080 0.000 2.146 350 R HA 0.086 4.606 4.340 0.300 0.000 0.206 350 R C -0.026 176.240 176.300 -0.057 0.000 1.049 350 R CA 0.071 56.133 56.100 -0.064 0.000 1.029 350 R CB 0.149 30.453 30.300 0.007 0.000 0.949 350 R HN 0.212 nan 8.270 nan 0.000 0.471 351 D N 0.440 120.837 120.400 -0.004 0.000 2.383 351 D HA -0.005 4.815 4.640 0.300 0.000 0.248 351 D C 0.246 176.623 176.300 0.129 0.000 1.170 351 D CA 0.014 54.059 54.000 0.075 0.000 0.977 351 D CB 0.925 41.806 40.800 0.135 0.000 1.120 351 D HN -0.084 nan 8.370 nan 0.000 0.481 352 D N -1.493 119.038 120.400 0.219 0.000 2.346 352 D HA -0.040 4.780 4.640 0.300 0.000 0.206 352 D C -0.791 175.808 176.300 0.498 0.000 1.001 352 D CA 0.289 54.488 54.000 0.332 0.000 0.871 352 D CB 0.243 41.178 40.800 0.225 0.000 0.943 352 D HN 0.321 nan 8.370 nan 0.000 0.518 353 Y N -0.635 119.816 120.300 0.252 0.000 2.436 353 Y HA 0.406 5.136 4.550 0.300 0.000 0.327 353 Y C -1.664 174.334 175.900 0.164 0.000 1.138 353 Y CA -0.724 57.487 58.100 0.184 0.000 1.042 353 Y CB 1.694 40.219 38.460 0.108 0.000 1.302 353 Y HN -0.299 nan 8.280 nan 0.000 0.439 354 T N 5.564 119.917 114.554 -0.335 0.000 2.937 354 T HA 0.248 4.778 4.350 0.300 0.000 0.297 354 T C -1.019 173.423 174.700 -0.429 0.000 0.991 354 T CA -0.734 61.236 62.100 -0.217 0.000 0.990 354 T CB 1.503 70.379 68.868 0.014 0.000 0.991 354 T HN 0.654 nan 8.240 nan 0.000 0.440 355 E N 2.072 122.092 120.200 -0.301 0.000 2.343 355 E HA 0.223 4.753 4.350 0.300 0.000 0.269 355 E C 0.196 176.746 176.600 -0.083 0.000 1.047 355 E CA -0.688 55.593 56.400 -0.197 0.000 0.874 355 E CB 0.806 30.497 29.700 -0.015 0.000 1.033 355 E HN 0.441 nan 8.360 nan 0.000 0.409 356 K N 2.378 122.748 120.400 -0.050 0.000 2.550 356 K HA -0.136 4.364 4.320 0.300 0.000 0.280 356 K C -0.935 175.634 176.600 -0.051 0.000 0.987 356 K CA 0.693 56.959 56.287 -0.034 0.000 1.048 356 K CB 0.344 32.832 32.500 -0.019 0.000 0.879 356 K HN 0.333 nan 8.250 nan 0.000 0.491 357 D N 3.593 123.946 120.400 -0.078 0.000 2.351 357 D HA 0.145 4.965 4.640 0.300 0.000 0.235 357 D C 0.186 176.403 176.300 -0.137 0.000 1.331 357 D CA -0.481 53.469 54.000 -0.082 0.000 0.959 357 D CB 0.546 41.317 40.800 -0.048 0.000 1.432 357 D HN 0.525 nan 8.370 nan 0.000 0.544 358 R N 0.785 121.173 120.500 -0.187 0.000 2.193 358 R HA -0.073 4.447 4.340 0.300 0.000 0.229 358 R C 1.774 177.967 176.300 -0.179 0.000 1.110 358 R CA 1.161 57.096 56.100 -0.274 0.000 0.988 358 R CB -0.559 29.575 30.300 -0.277 0.000 0.871 358 R HN 0.491 nan 8.270 nan 0.000 0.458 359 S N 0.156 115.791 115.700 -0.109 0.000 2.481 359 S HA -0.027 4.623 4.470 0.300 0.000 0.231 359 S C 1.536 176.100 174.600 -0.060 0.000 0.996 359 S CA 0.529 58.687 58.200 -0.071 0.000 0.942 359 S CB 0.034 63.204 63.200 -0.050 0.000 0.768 359 S HN 0.266 nan 8.310 nan 0.000 0.520 360 R N 0.179 120.638 120.500 -0.069 0.000 2.543 360 R HA 0.317 4.837 4.340 0.300 0.000 0.323 360 R C 1.112 177.388 176.300 -0.040 0.000 1.002 360 R CA 0.301 56.373 56.100 -0.046 0.000 1.106 360 R CB 0.406 30.682 30.300 -0.039 0.000 1.280 360 R HN 0.510 nan 8.270 nan 0.000 0.549 361 G N 1.815 110.562 108.800 -0.089 0.000 2.153 361 G HA2 -0.275 3.866 3.960 0.300 0.000 0.252 361 G HA3 -0.275 3.866 3.960 0.300 0.000 0.252 361 G C 0.135 175.027 174.900 -0.014 0.000 0.994 361 G CA -0.059 44.995 45.100 -0.076 0.000 0.698 361 G HN 0.294 nan 8.290 nan 0.000 0.521 362 I N 0.852 121.379 120.570 -0.072 0.000 2.287 362 I HA 0.302 4.652 4.170 0.300 0.000 0.290 362 I C 1.332 177.396 176.117 -0.088 0.000 1.069 362 I CA -0.929 60.381 61.300 0.017 0.000 1.237 362 I CB 0.412 38.424 38.000 0.020 0.000 1.418 362 I HN 0.078 nan 8.210 nan 0.000 0.481 363 Y N 5.285 125.494 120.300 -0.153 0.000 2.395 363 Y HA 0.083 4.813 4.550 0.300 0.000 0.293 363 Y C 0.343 175.924 175.900 -0.531 0.000 1.123 363 Y CA 0.741 58.614 58.100 -0.379 0.000 1.227 363 Y CB -0.091 37.997 38.460 -0.620 0.000 1.012 363 Y HN 0.301 nan 8.280 nan 0.000 0.552 364 F N -1.945 118.122 119.950 0.194 0.000 2.588 364 F HA 0.404 5.111 4.527 0.300 0.000 0.314 364 F C 0.209 176.008 175.800 -0.001 0.000 1.069 364 F CA -1.712 56.351 58.000 0.105 0.000 0.931 364 F CB 1.012 40.074 39.000 0.104 0.000 1.260 364 F HN -0.513 nan 8.300 nan 0.000 0.465 365 T N 1.581 116.230 114.554 0.158 0.000 2.884 365 T HA 0.331 4.861 4.350 0.300 0.000 0.298 365 T C -0.595 174.047 174.700 -0.096 0.000 0.998 365 T CA -0.119 61.949 62.100 -0.053 0.000 1.124 365 T CB 0.803 69.632 68.868 -0.065 0.000 0.931 365 T HN 0.442 nan 8.240 nan 0.000 0.531 366 Q N 2.007 121.667 119.800 -0.234 0.000 2.321 366 Q HA 0.535 5.055 4.340 0.300 0.000 0.270 366 Q C -1.253 174.531 176.000 -0.359 0.000 1.032 366 Q CA -0.396 55.227 55.803 -0.300 0.000 0.784 366 Q CB 1.509 30.086 28.738 -0.267 0.000 1.264 366 Q HN 0.605 nan 8.270 nan 0.000 0.448 367 S N 2.957 118.460 115.700 -0.328 0.000 2.578 367 S HA 0.484 5.134 4.470 0.300 0.000 0.301 367 S C -0.716 173.682 174.600 -0.338 0.000 1.091 367 S CA -0.523 57.618 58.200 -0.097 0.000 1.032 367 S CB 0.638 63.909 63.200 0.117 0.000 1.064 367 S HN 0.820 nan 8.310 nan 0.000 0.508 368 W N 0.661 122.010 121.300 0.083 0.000 2.870 368 W HA 0.232 5.072 4.660 0.301 0.000 0.358 368 W C 0.465 177.009 176.519 0.042 0.000 1.043 368 W CA -0.484 56.888 57.345 0.044 0.000 1.692 368 W CB -0.090 29.389 29.460 0.032 0.000 1.100 368 W HN 0.595 nan 8.180 nan 0.000 0.557 369 V N -0.102 119.941 119.914 0.215 0.000 5.482 369 V HA -0.380 3.921 4.120 0.300 0.000 0.262 369 V C 0.663 176.842 176.094 0.142 0.000 0.664 369 V CA 0.687 63.074 62.300 0.145 0.000 0.609 369 V CB -2.538 29.343 31.823 0.096 0.000 0.306 369 V HN 0.492 nan 8.190 nan 0.000 0.731 370 S N -1.884 113.909 115.700 0.156 0.000 3.382 370 S HA -0.205 4.445 4.470 0.300 0.000 0.293 370 S C 0.655 175.312 174.600 0.095 0.000 1.262 370 S CA 1.329 59.595 58.200 0.111 0.000 0.969 370 S CB -1.828 61.416 63.200 0.073 0.000 1.136 370 S HN 1.523 nan 8.310 nan 0.000 0.635 371 T N 3.647 118.284 114.554 0.139 0.000 2.888 371 T HA 0.318 4.848 4.350 0.300 0.000 0.301 371 T C -1.816 172.876 174.700 -0.014 0.000 1.001 371 T CA -0.527 61.622 62.100 0.082 0.000 1.147 371 T CB 0.361 69.321 68.868 0.153 0.000 0.931 371 T HN 0.065 nan 8.240 nan 0.000 0.541 372 P HA 0.179 nan 4.420 nan 0.000 0.267 372 P C 0.379 177.595 177.300 -0.140 0.000 1.201 372 P CA -0.124 62.939 63.100 -0.061 0.000 0.775 372 P CB 0.366 32.039 31.700 -0.043 0.000 0.854 373 G N 0.803 109.535 108.800 -0.113 0.000 2.507 373 G HA2 0.455 4.595 3.960 0.300 0.000 0.271 373 G HA3 0.455 4.595 3.960 0.300 0.000 0.271 373 G C -0.857 173.973 174.900 -0.118 0.000 1.189 373 G CA -0.389 44.618 45.100 -0.155 0.000 0.859 373 G HN 0.355 nan 8.290 nan 0.000 0.542 374 V N 1.637 121.469 119.914 -0.137 0.000 2.483 374 V HA 0.268 4.568 4.120 0.300 0.000 0.295 374 V C -0.167 175.898 176.094 -0.050 0.000 1.035 374 V CA -0.914 61.331 62.300 -0.092 0.000 0.896 374 V CB 1.601 33.344 31.823 -0.134 0.000 0.986 374 V HN 0.536 nan 8.190 nan 0.000 0.447 375 L N 8.464 129.673 121.223 -0.024 0.000 2.361 375 L HA 0.417 4.938 4.340 0.300 0.000 0.278 375 L C -1.991 174.812 176.870 -0.111 0.000 1.113 375 L CA -1.665 53.133 54.840 -0.069 0.000 0.849 375 L CB 0.804 42.788 42.059 -0.124 0.000 1.155 375 L HN 0.449 nan 8.230 nan 0.000 0.452 376 P HA 0.148 nan 4.420 nan 0.000 0.279 376 P C -1.105 176.022 177.300 -0.288 0.000 1.239 376 P CA -0.269 62.767 63.100 -0.107 0.000 0.789 376 P CB 1.408 33.117 31.700 0.015 0.000 0.933 377 V N 2.597 122.308 119.914 -0.338 0.000 2.409 377 V HA 0.511 4.811 4.120 0.300 0.000 0.291 377 V C 0.413 176.162 176.094 -0.575 0.000 1.020 377 V CA -0.825 61.192 62.300 -0.471 0.000 0.848 377 V CB 1.280 32.811 31.823 -0.487 0.000 0.990 377 V HN 0.696 nan 8.190 nan 0.000 0.430 378 A N 3.818 126.257 122.820 -0.636 0.000 2.260 378 A HA 0.824 5.324 4.320 0.300 0.000 0.308 378 A C 0.034 177.339 177.584 -0.465 0.000 1.254 378 A CA -0.232 51.463 52.037 -0.570 0.000 0.874 378 A CB 1.020 19.598 19.000 -0.704 0.000 1.153 378 A HN 0.853 nan 8.150 nan 0.000 0.527 379 S N 1.517 117.010 115.700 -0.346 0.000 2.533 379 S HA 0.734 5.384 4.470 0.300 0.000 0.271 379 S C -0.488 174.022 174.600 -0.151 0.000 1.143 379 S CA 0.402 58.443 58.200 -0.265 0.000 0.891 379 S CB 1.331 64.431 63.200 -0.168 0.000 1.105 379 S HN 2.580 nan 8.310 nan 0.000 0.468 380 G N 1.729 110.432 108.800 -0.161 0.000 2.730 380 G HA2 0.442 4.583 3.960 0.300 0.000 0.644 380 G HA3 0.442 4.583 3.960 0.300 0.000 0.644 380 G C 0.867 175.639 174.900 -0.213 0.000 1.168 380 G CA 0.323 45.338 45.100 -0.141 0.000 1.240 380 G HN 2.141 nan 8.290 nan 0.000 0.551 381 G N 0.106 108.801 108.800 -0.174 0.000 2.176 381 G HA2 -0.040 4.101 3.960 0.300 0.000 0.252 381 G HA3 -0.040 4.101 3.960 0.300 0.000 0.252 381 G C 0.599 175.529 174.900 0.050 0.000 1.024 381 G CA 0.936 45.942 45.100 -0.157 0.000 0.755 381 G HN 2.247 nan 8.290 nan 0.000 0.507 382 I N -2.051 118.518 120.570 -0.002 0.000 2.577 382 I HA 0.960 5.310 4.170 0.300 0.000 0.305 382 I C 0.249 176.580 176.117 0.357 0.000 0.986 382 I CA -1.340 60.049 61.300 0.148 0.000 1.189 382 I CB 1.636 39.570 38.000 -0.111 0.000 1.355 382 I HN 0.333 nan 8.210 nan 0.000 0.476 383 H N 1.073 120.478 119.070 0.558 0.000 2.942 383 H HA 0.440 5.175 4.556 0.299 0.000 0.316 383 H C 0.642 176.043 175.328 0.122 0.000 1.323 383 H CA -0.439 55.691 56.048 0.136 0.000 1.144 383 H CB 0.545 30.105 29.762 -0.337 0.000 1.866 383 H HN 0.359 nan 8.280 nan 0.000 0.545 384 V N -2.807 117.185 119.914 0.130 0.000 2.370 384 V HA -0.283 4.017 4.120 0.300 0.000 0.252 384 V C 1.356 177.440 176.094 -0.016 0.000 1.068 384 V CA 1.982 64.242 62.300 -0.068 0.000 1.061 384 V CB -1.274 30.421 31.823 -0.213 0.000 0.656 384 V HN 0.793 nan 8.190 nan 0.000 0.455 385 W N -0.326 121.089 121.300 0.191 0.000 2.525 385 W HA 0.034 4.879 4.660 0.308 0.000 0.259 385 W C 2.562 179.066 176.519 -0.025 0.000 1.253 385 W CA 1.054 58.434 57.345 0.058 0.000 1.262 385 W CB -0.408 29.112 29.460 0.100 0.000 1.122 385 W HN 0.371 nan 8.180 nan 0.000 0.607 386 H N -0.965 118.214 119.070 0.181 0.000 2.551 386 H HA 0.040 4.777 4.556 0.302 0.000 0.266 386 H C 1.878 177.291 175.328 0.142 0.000 0.964 386 H CA 0.797 56.909 56.048 0.107 0.000 1.180 386 H CB -0.350 29.418 29.762 0.010 0.000 1.408 386 H HN 0.159 nan 8.280 nan 0.000 0.563 387 M N 1.469 121.217 119.600 0.246 0.000 2.089 387 M HA -0.100 4.560 4.480 0.300 0.000 0.257 387 M C -0.903 175.492 176.300 0.157 0.000 1.071 387 M CA 1.780 57.193 55.300 0.188 0.000 1.096 387 M CB -0.893 31.753 32.600 0.076 0.000 1.330 387 M HN 0.083 nan 8.290 nan 0.000 0.403 388 P HA -0.076 nan 4.420 nan 0.000 0.216 388 P C 1.123 178.493 177.300 0.115 0.000 1.153 388 P CA 2.178 65.347 63.100 0.115 0.000 0.848 388 P CB -0.314 31.456 31.700 0.116 0.000 0.787 389 A N -0.633 122.269 122.820 0.136 0.000 1.902 389 A HA -0.170 4.330 4.320 0.300 0.000 0.217 389 A C 2.225 179.868 177.584 0.099 0.000 1.181 389 A CA 1.497 53.596 52.037 0.105 0.000 0.623 389 A CB -1.695 17.378 19.000 0.122 0.000 0.818 389 A HN 0.098 nan 8.150 nan 0.000 0.443 390 L N -0.783 120.540 121.223 0.166 0.000 2.017 390 L HA -0.168 4.352 4.340 0.300 0.000 0.208 390 L C 2.806 179.829 176.870 0.256 0.000 1.073 390 L CA 1.817 56.811 54.840 0.256 0.000 0.745 390 L CB -0.960 41.254 42.059 0.259 0.000 0.894 390 L HN 0.344 nan 8.230 nan 0.000 0.432 391 T N -1.170 113.490 114.554 0.177 0.000 2.746 391 T HA -0.212 4.318 4.350 0.300 0.000 0.267 391 T C 1.832 176.592 174.700 0.099 0.000 1.039 391 T CA 1.287 63.471 62.100 0.141 0.000 1.142 391 T CB -0.147 68.785 68.868 0.108 0.000 0.866 391 T HN 0.316 nan 8.240 nan 0.000 0.444 392 E N 0.759 120.998 120.200 0.065 0.000 2.072 392 E HA -0.065 4.465 4.350 0.300 0.000 0.191 392 E C 2.198 178.773 176.600 -0.042 0.000 0.985 392 E CA 0.845 57.256 56.400 0.019 0.000 0.801 392 E CB -0.155 29.555 29.700 0.016 0.000 0.750 392 E HN 0.501 nan 8.360 nan 0.000 0.452 393 I N -0.274 120.230 120.570 -0.110 0.000 2.233 393 I HA -0.227 4.123 4.170 0.300 0.000 0.243 393 I C 1.991 177.860 176.117 -0.415 0.000 1.093 393 I CA 1.038 62.132 61.300 -0.342 0.000 1.380 393 I CB -0.225 37.411 38.000 -0.607 0.000 1.067 393 I HN 0.028 nan 8.210 nan 0.000 0.413 394 F N 0.561 120.504 119.950 -0.012 0.000 2.530 394 F HA 0.321 5.027 4.527 0.299 0.000 0.292 394 F C 1.586 177.385 175.800 -0.002 0.000 1.109 394 F CA 0.592 58.584 58.000 -0.014 0.000 1.450 394 F CB -0.741 38.246 39.000 -0.022 0.000 1.114 394 F HN 0.150 nan 8.300 nan 0.000 0.560 395 G N 0.678 109.575 108.800 0.162 0.000 2.741 395 G HA2 -0.267 3.873 3.960 0.300 0.000 0.222 395 G HA3 -0.267 3.873 3.960 0.300 0.000 0.222 395 G C 0.158 175.125 174.900 0.113 0.000 1.364 395 G CA -0.067 45.097 45.100 0.107 0.000 0.866 395 G HN 0.122 nan 8.290 nan 0.000 0.555 396 D N 0.408 120.858 120.400 0.083 0.000 2.149 396 D HA -0.010 4.810 4.640 0.300 0.000 0.198 396 D C 1.019 177.356 176.300 0.062 0.000 0.990 396 D CA 1.554 55.597 54.000 0.072 0.000 0.839 396 D CB -0.135 40.706 40.800 0.068 0.000 0.948 396 D HN 0.423 nan 8.370 nan 0.000 0.460 397 D N 0.688 121.127 120.400 0.065 0.000 2.551 397 D HA 0.177 4.997 4.640 0.300 0.000 0.223 397 D C 0.047 176.360 176.300 0.022 0.000 1.144 397 D CA 0.097 54.123 54.000 0.043 0.000 1.025 397 D CB -0.046 40.782 40.800 0.047 0.000 1.085 397 D HN 0.049 nan 8.370 nan 0.000 0.506 398 S N -1.183 114.504 115.700 -0.021 0.000 2.611 398 S HA 0.594 5.244 4.470 0.300 0.000 0.268 398 S C -1.055 173.461 174.600 -0.141 0.000 1.156 398 S CA -0.921 57.210 58.200 -0.115 0.000 0.817 398 S CB 1.675 64.799 63.200 -0.126 0.000 1.122 398 S HN -0.069 nan 8.310 nan 0.000 0.466 399 V N 1.588 121.363 119.914 -0.232 0.000 2.487 399 V HA 0.521 4.822 4.120 0.300 0.000 0.298 399 V C -0.872 175.088 176.094 -0.222 0.000 1.028 399 V CA -0.621 61.583 62.300 -0.159 0.000 0.860 399 V CB 1.272 32.986 31.823 -0.182 0.000 0.991 399 V HN 0.820 nan 8.190 nan 0.000 0.427 400 L N 4.994 126.140 121.223 -0.128 0.000 2.287 400 L HA 0.591 5.111 4.340 0.300 0.000 0.287 400 L C -0.215 176.502 176.870 -0.255 0.000 1.022 400 L CA -0.379 54.323 54.840 -0.230 0.000 0.814 400 L CB 1.445 43.489 42.059 -0.026 0.000 1.217 400 L HN 0.613 nan 8.230 nan 0.000 0.420 401 Q N 3.439 122.954 119.800 -0.476 0.000 2.316 401 Q HA 0.526 5.046 4.340 0.300 0.000 0.264 401 Q C -1.478 174.164 176.000 -0.596 0.000 0.987 401 Q CA -0.437 55.159 55.803 -0.345 0.000 0.852 401 Q CB 2.362 30.980 28.738 -0.199 0.000 1.287 401 Q HN 0.406 nan 8.270 nan 0.000 0.448 402 F N 1.020 120.945 119.950 -0.043 0.000 2.434 402 F HA 0.355 5.067 4.527 0.307 0.000 0.367 402 F C 0.889 176.668 175.800 -0.035 0.000 1.093 402 F CA -0.664 57.309 58.000 -0.046 0.000 1.085 402 F CB 1.253 40.225 39.000 -0.048 0.000 1.322 402 F HN 0.737 nan 8.300 nan 0.000 0.452 403 G N 1.590 110.431 108.800 0.069 0.000 2.624 403 G HA2 0.050 4.190 3.960 0.300 0.000 0.216 403 G HA3 0.050 4.190 3.960 0.300 0.000 0.216 403 G C 1.765 176.712 174.900 0.079 0.000 1.274 403 G CA 0.600 45.735 45.100 0.059 0.000 0.856 403 G HN 0.739 nan 8.290 nan 0.000 0.555 404 G N 0.640 109.478 108.800 0.065 0.000 2.450 404 G HA2 0.068 4.208 3.960 0.300 0.000 0.220 404 G HA3 0.068 4.208 3.960 0.300 0.000 0.220 404 G C 1.683 176.623 174.900 0.067 0.000 1.130 404 G CA 1.342 46.495 45.100 0.089 0.000 0.760 404 G HN 0.698 nan 8.290 nan 0.000 0.557 405 G N -0.641 108.145 108.800 -0.023 0.000 2.625 405 G HA2 0.089 4.229 3.960 0.300 0.000 0.214 405 G HA3 0.089 4.229 3.960 0.300 0.000 0.214 405 G C 1.464 176.407 174.900 0.072 0.000 1.132 405 G CA 1.615 46.606 45.100 -0.182 0.000 0.782 405 G HN 0.421 nan 8.290 nan 0.000 0.538 406 T N 0.065 114.718 114.554 0.165 0.000 3.138 406 T HA 0.104 4.634 4.350 0.300 0.000 0.245 406 T C 1.942 176.757 174.700 0.193 0.000 0.982 406 T CA -0.135 62.060 62.100 0.159 0.000 1.134 406 T CB -0.014 68.909 68.868 0.091 0.000 1.032 406 T HN 0.054 nan 8.240 nan 0.000 0.442 407 L N 1.609 122.927 121.223 0.158 0.000 2.551 407 L HA 0.268 4.788 4.340 0.300 0.000 0.228 407 L C 2.194 179.185 176.870 0.201 0.000 1.153 407 L CA 0.818 55.742 54.840 0.141 0.000 0.851 407 L CB -0.266 41.843 42.059 0.083 0.000 0.959 407 L HN 0.362 nan 8.230 nan 0.000 0.451 408 G N -3.005 105.989 108.800 0.323 0.000 3.088 408 G HA2 -0.067 4.073 3.960 0.300 0.000 0.217 408 G HA3 -0.067 4.073 3.960 0.300 0.000 0.217 408 G C 0.481 175.585 174.900 0.340 0.000 1.159 408 G CA -0.285 45.054 45.100 0.399 0.000 0.760 408 G HN 0.274 nan 8.290 nan 0.000 0.550 409 H N 1.971 121.171 119.070 0.218 0.000 2.764 409 H HA 0.112 4.845 4.556 0.295 0.000 0.341 409 H C -1.077 174.211 175.328 -0.066 0.000 1.072 409 H CA -1.249 54.788 56.048 -0.018 0.000 1.444 409 H CB 2.103 31.872 29.762 0.011 0.000 1.458 409 H HN 0.002 nan 8.280 nan 0.000 0.572 410 P HA -0.151 nan 4.420 nan 0.000 0.219 410 P C 0.686 178.193 177.300 0.345 0.000 1.146 410 P CA 1.148 64.217 63.100 -0.052 0.000 0.808 410 P CB 0.080 31.644 31.700 -0.227 0.000 0.779 411 W N 0.222 121.682 121.300 0.266 0.000 3.220 411 W HA 0.497 5.327 4.660 0.283 0.000 0.328 411 W C 1.150 177.726 176.519 0.096 0.000 1.205 411 W CA 0.480 57.925 57.345 0.166 0.000 1.773 411 W CB -0.617 28.939 29.460 0.160 0.000 1.086 411 W HN 0.068 nan 8.180 nan 0.000 0.622 412 G N 0.740 109.729 108.800 0.315 0.000 2.483 412 G HA2 -0.274 3.866 3.960 0.300 0.000 0.521 412 G HA3 -0.274 3.866 3.960 0.300 0.000 0.521 412 G C 0.616 175.553 174.900 0.063 0.000 1.278 412 G CA -0.210 44.981 45.100 0.152 0.000 0.965 412 G HN -0.049 nan 8.290 nan 0.000 0.504 413 N N 0.030 118.741 118.700 0.019 0.000 2.080 413 N HA 0.016 4.936 4.740 0.300 0.000 0.189 413 N C 2.768 178.226 175.510 -0.088 0.000 1.036 413 N CA 2.702 55.735 53.050 -0.028 0.000 0.846 413 N CB -0.776 37.688 38.487 -0.038 0.000 1.015 413 N HN 1.117 nan 8.380 nan 0.000 0.423 414 A N 1.421 124.181 122.820 -0.100 0.000 1.883 414 A HA -0.063 4.437 4.320 0.300 0.000 0.217 414 A C -0.193 177.307 177.584 -0.140 0.000 1.186 414 A CA 1.477 53.439 52.037 -0.125 0.000 0.624 414 A CB -1.554 17.372 19.000 -0.123 0.000 0.822 414 A HN 0.240 nan 8.150 nan 0.000 0.444 415 P HA -0.039 nan 4.420 nan 0.000 0.219 415 P C 1.666 178.583 177.300 -0.638 0.000 1.150 415 P CA 1.544 64.472 63.100 -0.288 0.000 0.814 415 P CB -0.285 31.338 31.700 -0.129 0.000 0.787 416 G N 0.152 108.593 108.800 -0.598 0.000 2.408 416 G HA2 -0.222 3.918 3.960 0.300 0.000 0.217 416 G HA3 -0.222 3.918 3.960 0.300 0.000 0.217 416 G C 1.607 176.389 174.900 -0.197 0.000 1.150 416 G CA 0.857 45.725 45.100 -0.387 0.000 0.776 416 G HN 0.295 nan 8.290 nan 0.000 0.542 417 A N 0.175 122.895 122.820 -0.166 0.000 1.898 417 A HA 0.125 4.625 4.320 0.300 0.000 0.216 417 A C 2.593 180.093 177.584 -0.140 0.000 1.181 417 A CA 1.663 53.626 52.037 -0.124 0.000 0.620 417 A CB -0.606 18.333 19.000 -0.102 0.000 0.819 417 A HN 0.227 nan 8.150 nan 0.000 0.442 418 V N 0.056 119.880 119.914 -0.151 0.000 2.287 418 V HA -0.284 4.016 4.120 0.300 0.000 0.248 418 V C 3.079 179.084 176.094 -0.148 0.000 1.053 418 V CA 2.007 64.235 62.300 -0.120 0.000 1.027 418 V CB -1.305 30.461 31.823 -0.095 0.000 0.646 418 V HN 0.618 nan 8.190 nan 0.000 0.447 419 A N 0.369 123.070 122.820 -0.197 0.000 1.883 419 A HA -0.317 4.183 4.320 0.300 0.000 0.217 419 A C 2.033 179.486 177.584 -0.218 0.000 1.186 419 A CA 2.582 54.501 52.037 -0.196 0.000 0.624 419 A CB -0.913 18.014 19.000 -0.123 0.000 0.822 419 A HN 0.710 nan 8.150 nan 0.000 0.444 420 N N -1.332 117.219 118.700 -0.248 0.000 2.142 420 N HA -0.152 4.768 4.740 0.300 0.000 0.186 420 N C 1.981 177.357 175.510 -0.224 0.000 1.023 420 N CA 1.298 54.133 53.050 -0.360 0.000 0.852 420 N CB -0.137 38.046 38.487 -0.507 0.000 0.998 420 N HN 0.431 nan 8.380 nan 0.000 0.424 421 R N 1.183 121.597 120.500 -0.144 0.000 2.075 421 R HA -0.002 4.518 4.340 0.300 0.000 0.232 421 R C 1.772 178.045 176.300 -0.046 0.000 1.126 421 R CA 1.068 57.123 56.100 -0.076 0.000 0.963 421 R CB -0.776 29.491 30.300 -0.056 0.000 0.858 421 R HN 0.016 nan 8.270 nan 0.000 0.435 422 V N 0.852 120.733 119.914 -0.056 0.000 2.295 422 V HA -0.205 4.095 4.120 0.300 0.000 0.246 422 V C 2.346 178.409 176.094 -0.053 0.000 1.049 422 V CA 1.967 64.260 62.300 -0.013 0.000 1.024 422 V CB -0.934 30.831 31.823 -0.097 0.000 0.648 422 V HN 0.552 nan 8.190 nan 0.000 0.447 423 A N -0.261 122.477 122.820 -0.137 0.000 1.908 423 A HA -0.222 4.279 4.320 0.300 0.000 0.218 423 A C 2.164 179.712 177.584 -0.061 0.000 1.181 423 A CA 2.232 54.184 52.037 -0.142 0.000 0.627 423 A CB -0.609 18.265 19.000 -0.210 0.000 0.818 423 A HN 0.459 nan 8.150 nan 0.000 0.445 424 L N 0.128 121.322 121.223 -0.048 0.000 1.994 424 L HA -0.151 4.369 4.340 0.300 0.000 0.208 424 L C 2.194 179.080 176.870 0.028 0.000 1.071 424 L CA 2.531 57.374 54.840 0.006 0.000 0.745 424 L CB -0.788 41.278 42.059 0.012 0.000 0.892 424 L HN 0.523 nan 8.230 nan 0.000 0.431 425 E N -0.426 119.793 120.200 0.033 0.000 2.153 425 E HA -0.208 4.322 4.350 0.300 0.000 0.194 425 E C 2.121 178.767 176.600 0.077 0.000 0.988 425 E CA 1.004 57.438 56.400 0.056 0.000 0.811 425 E CB -0.279 29.460 29.700 0.065 0.000 0.746 425 E HN 0.676 nan 8.360 nan 0.000 0.466 426 A N 0.794 123.668 122.820 0.090 0.000 1.902 426 A HA -0.189 4.311 4.320 0.300 0.000 0.217 426 A C 2.421 180.048 177.584 0.071 0.000 1.181 426 A CA 1.161 53.264 52.037 0.110 0.000 0.623 426 A CB -0.771 18.286 19.000 0.095 0.000 0.818 426 A HN 0.346 nan 8.150 nan 0.000 0.443 427 C N -1.409 117.922 119.300 0.051 0.000 2.446 427 C HA -0.031 4.609 4.460 0.300 0.000 0.277 427 C C 2.740 177.763 174.990 0.055 0.000 1.275 427 C CA 0.925 59.975 59.018 0.053 0.000 1.727 427 C CB -1.202 26.571 27.740 0.055 0.000 2.010 427 C HN 0.451 nan 8.230 nan 0.000 0.486 428 V N 0.644 120.590 119.914 0.054 0.000 2.295 428 V HA -0.293 4.007 4.120 0.300 0.000 0.246 428 V C 2.543 178.665 176.094 0.046 0.000 1.049 428 V CA 2.276 64.606 62.300 0.050 0.000 1.024 428 V CB -0.882 30.970 31.823 0.048 0.000 0.648 428 V HN 0.631 nan 8.190 nan 0.000 0.447 429 Q N -0.192 119.637 119.800 0.048 0.000 2.061 429 Q HA -0.235 4.285 4.340 0.300 0.000 0.204 429 Q C 2.253 178.278 176.000 0.041 0.000 0.984 429 Q CA 2.154 57.982 55.803 0.042 0.000 0.846 429 Q CB -0.295 28.471 28.738 0.045 0.000 0.902 429 Q HN 0.630 nan 8.270 nan 0.000 0.421 430 A N 1.374 124.224 122.820 0.049 0.000 1.877 430 A HA -0.234 4.266 4.320 0.300 0.000 0.216 430 A C 2.148 179.756 177.584 0.040 0.000 1.186 430 A CA 1.617 53.682 52.037 0.047 0.000 0.620 430 A CB -0.776 18.256 19.000 0.053 0.000 0.822 430 A HN 0.470 nan 8.150 nan 0.000 0.443 431 R N 0.137 120.662 120.500 0.042 0.000 2.083 431 R HA -0.175 4.345 4.340 0.300 0.000 0.237 431 R C 1.869 178.188 176.300 0.032 0.000 1.137 431 R CA 2.007 58.130 56.100 0.038 0.000 0.951 431 R CB -0.582 29.743 30.300 0.042 0.000 0.851 431 R HN 0.738 nan 8.270 nan 0.000 0.434 432 N N 0.021 118.741 118.700 0.032 0.000 2.223 432 N HA -0.151 4.769 4.740 0.300 0.000 0.185 432 N C 1.124 176.648 175.510 0.022 0.000 1.016 432 N CA 1.114 54.180 53.050 0.027 0.000 0.863 432 N CB 0.004 38.507 38.487 0.026 0.000 0.983 432 N HN 0.441 nan 8.380 nan 0.000 0.429 433 E N -0.315 119.899 120.200 0.024 0.000 2.482 433 E HA 0.019 4.549 4.350 0.300 0.000 0.196 433 E C 0.966 177.578 176.600 0.020 0.000 1.047 433 E CA 0.211 56.623 56.400 0.020 0.000 0.869 433 E CB 0.282 29.995 29.700 0.022 0.000 0.836 433 E HN 0.481 nan 8.360 nan 0.000 0.520 434 G N 1.620 110.434 108.800 0.022 0.000 2.163 434 G HA2 -0.220 3.920 3.960 0.300 0.000 0.213 434 G HA3 -0.220 3.920 3.960 0.300 0.000 0.213 434 G C 0.154 175.068 174.900 0.023 0.000 0.991 434 G CA -0.495 44.617 45.100 0.021 0.000 0.653 434 G HN 0.044 nan 8.290 nan 0.000 0.518 435 R N 0.575 121.092 120.500 0.028 0.000 2.539 435 R HA 0.336 4.856 4.340 0.300 0.000 0.275 435 R C -0.762 175.557 176.300 0.031 0.000 1.077 435 R CA -0.494 55.625 56.100 0.031 0.000 1.097 435 R CB 0.670 30.992 30.300 0.037 0.000 1.018 435 R HN 0.173 nan 8.270 nan 0.000 0.483 436 D N 3.087 123.505 120.400 0.031 0.000 2.365 436 D HA 0.048 4.868 4.640 0.300 0.000 0.237 436 D C 1.225 177.547 176.300 0.038 0.000 1.190 436 D CA -0.078 53.940 54.000 0.030 0.000 0.867 436 D CB 0.693 41.509 40.800 0.026 0.000 1.050 436 D HN 0.417 nan 8.370 nan 0.000 0.491 437 L N 3.020 124.267 121.223 0.040 0.000 2.127 437 L HA -0.193 4.327 4.340 0.300 0.000 0.211 437 L C 2.312 179.213 176.870 0.053 0.000 1.089 437 L CA 1.270 56.140 54.840 0.051 0.000 0.757 437 L CB -0.314 41.776 42.059 0.052 0.000 0.899 437 L HN 0.433 nan 8.230 nan 0.000 0.434 438 A N 0.080 122.924 122.820 0.040 0.000 1.898 438 A HA -0.153 4.347 4.320 0.300 0.000 0.216 438 A C 2.400 180.007 177.584 0.039 0.000 1.181 438 A CA 1.271 53.330 52.037 0.037 0.000 0.620 438 A CB -0.291 18.722 19.000 0.022 0.000 0.819 438 A HN 0.334 nan 8.150 nan 0.000 0.442 439 R N -0.534 119.988 120.500 0.035 0.000 2.112 439 R HA 0.034 4.554 4.340 0.300 0.000 0.216 439 R C 1.242 177.568 176.300 0.044 0.000 1.080 439 R CA 1.203 57.323 56.100 0.034 0.000 0.996 439 R CB -0.101 30.216 30.300 0.027 0.000 0.902 439 R HN 0.599 nan 8.270 nan 0.000 0.449 440 E N 0.197 120.426 120.200 0.049 0.000 2.463 440 E HA 0.082 4.612 4.350 0.300 0.000 0.193 440 E C 1.588 178.234 176.600 0.076 0.000 1.041 440 E CA 0.067 56.501 56.400 0.058 0.000 0.879 440 E CB 0.525 30.255 29.700 0.050 0.000 0.997 440 E HN 0.363 nan 8.360 nan 0.000 0.478 441 G N 2.728 111.579 108.800 0.085 0.000 2.599 441 G HA2 -0.364 3.776 3.960 0.300 0.000 0.219 441 G HA3 -0.364 3.776 3.960 0.300 0.000 0.219 441 G C 1.486 176.480 174.900 0.156 0.000 1.193 441 G CA 1.146 46.313 45.100 0.113 0.000 0.778 441 G HN 0.188 nan 8.290 nan 0.000 0.589 442 N N 0.152 118.967 118.700 0.191 0.000 2.223 442 N HA -0.061 4.859 4.740 0.300 0.000 0.185 442 N C 2.377 178.030 175.510 0.239 0.000 1.016 442 N CA 1.554 54.787 53.050 0.305 0.000 0.863 442 N CB -0.694 37.925 38.487 0.219 0.000 0.983 442 N HN 0.314 nan 8.380 nan 0.000 0.429 443 T N 1.184 115.822 114.554 0.141 0.000 2.777 443 T HA 0.051 4.581 4.350 0.300 0.000 0.266 443 T C 2.070 176.818 174.700 0.081 0.000 1.040 443 T CA 0.573 62.735 62.100 0.102 0.000 1.141 443 T CB -0.138 68.775 68.868 0.075 0.000 0.868 443 T HN 0.166 nan 8.240 nan 0.000 0.444 444 I N 0.855 121.469 120.570 0.075 0.000 2.226 444 I HA -0.152 4.198 4.170 0.300 0.000 0.245 444 I C 2.157 178.279 176.117 0.008 0.000 1.100 444 I CA 0.914 62.246 61.300 0.053 0.000 1.374 444 I CB -0.337 37.696 38.000 0.056 0.000 1.057 444 I HN 0.183 nan 8.210 nan 0.000 0.413 445 I N 0.651 121.208 120.570 -0.021 0.000 2.202 445 I HA -0.232 4.118 4.170 0.300 0.000 0.242 445 I C 2.650 178.645 176.117 -0.202 0.000 1.091 445 I CA 1.586 62.775 61.300 -0.184 0.000 1.368 445 I CB -1.281 36.498 38.000 -0.367 0.000 1.058 445 I HN 0.258 nan 8.210 nan 0.000 0.410 446 R N 0.648 121.116 120.500 -0.053 0.000 2.091 446 R HA -0.190 4.330 4.340 0.300 0.000 0.238 446 R C 2.131 178.406 176.300 -0.043 0.000 1.136 446 R CA 1.400 57.493 56.100 -0.011 0.000 0.959 446 R CB -0.313 30.049 30.300 0.102 0.000 0.856 446 R HN 0.504 nan 8.270 nan 0.000 0.437 447 E N 0.540 120.737 120.200 -0.004 0.000 2.085 447 E HA -0.189 4.341 4.350 0.300 0.000 0.194 447 E C 2.047 178.633 176.600 -0.023 0.000 0.994 447 E CA 1.283 57.704 56.400 0.035 0.000 0.801 447 E CB -0.136 29.618 29.700 0.090 0.000 0.743 447 E HN 0.372 nan 8.360 nan 0.000 0.453 448 A N 1.181 123.918 122.820 -0.138 0.000 1.969 448 A HA -0.174 4.326 4.320 0.300 0.000 0.218 448 A C 2.408 179.472 177.584 -0.866 0.000 1.169 448 A CA 1.902 53.633 52.037 -0.511 0.000 0.635 448 A CB -1.002 17.770 19.000 -0.381 0.000 0.810 448 A HN 0.413 nan 8.150 nan 0.000 0.445 449 T N -2.278 111.987 114.554 -0.482 0.000 2.962 449 T HA -0.099 4.431 4.350 0.300 0.000 0.270 449 T C 1.646 176.165 174.700 -0.302 0.000 1.088 449 T CA 1.302 63.160 62.100 -0.404 0.000 1.127 449 T CB -0.213 68.499 68.868 -0.260 0.000 0.883 449 T HN 0.332 nan 8.240 nan 0.000 0.493 450 K N 1.022 121.290 120.400 -0.219 0.000 2.147 450 K HA -0.022 4.478 4.320 0.300 0.000 0.205 450 K C 2.039 178.660 176.600 0.035 0.000 1.049 450 K CA 1.354 57.616 56.287 -0.042 0.000 0.936 450 K CB -0.344 32.197 32.500 0.068 0.000 0.722 450 K HN 0.865 nan 8.250 nan 0.000 0.446 451 W N -0.412 120.883 121.300 -0.008 0.000 2.998 451 W HA 0.353 5.017 4.660 0.007 0.000 0.336 451 W C 0.033 176.551 176.519 -0.002 0.000 1.112 451 W CA -0.455 56.889 57.345 -0.002 0.000 1.682 451 W CB 0.009 29.466 29.460 -0.004 0.000 1.065 451 W HN -0.175 nan 8.180 nan 0.000 0.570 452 S N 2.769 118.188 115.700 -0.468 0.000 2.577 452 S HA 0.386 5.036 4.470 0.300 0.000 0.294 452 S C -1.607 172.857 174.600 -0.227 0.000 1.161 452 S CA -1.310 56.664 58.200 -0.377 0.000 1.143 452 S CB 1.329 64.052 63.200 -0.795 0.000 0.991 452 S HN -0.305 nan 8.310 nan 0.000 0.475 453 P HA -0.069 nan 4.420 nan 0.000 0.216 453 P C 0.897 178.091 177.300 -0.176 0.000 1.150 453 P CA 1.030 64.147 63.100 0.029 0.000 0.837 453 P CB 0.235 32.106 31.700 0.285 0.000 0.786 454 E N -0.730 119.380 120.200 -0.149 0.000 2.077 454 E HA -0.152 4.379 4.350 0.300 0.000 0.193 454 E C 1.843 178.285 176.600 -0.264 0.000 0.989 454 E CA 0.799 57.023 56.400 -0.292 0.000 0.800 454 E CB -1.205 28.404 29.700 -0.153 0.000 0.746 454 E HN 0.121 nan 8.360 nan 0.000 0.452 455 L N 0.409 121.461 121.223 -0.284 0.000 2.056 455 L HA 0.000 4.521 4.340 0.300 0.000 0.207 455 L C 2.045 178.711 176.870 -0.340 0.000 1.078 455 L CA 1.933 56.583 54.840 -0.316 0.000 0.749 455 L CB -0.869 40.945 42.059 -0.408 0.000 0.901 455 L HN 0.108 nan 8.230 nan 0.000 0.433 456 A N -0.275 122.350 122.820 -0.325 0.000 1.908 456 A HA -0.170 4.331 4.320 0.300 0.000 0.218 456 A C 2.457 179.855 177.584 -0.310 0.000 1.181 456 A CA 2.031 53.905 52.037 -0.271 0.000 0.627 456 A CB -1.243 17.643 19.000 -0.190 0.000 0.818 456 A HN 0.581 nan 8.150 nan 0.000 0.445 457 A N -0.389 122.161 122.820 -0.451 0.000 1.933 457 A HA 0.186 4.687 4.320 0.300 0.000 0.218 457 A C 2.474 179.645 177.584 -0.689 0.000 1.175 457 A CA 2.029 53.691 52.037 -0.625 0.000 0.628 457 A CB -0.895 17.421 19.000 -1.140 0.000 0.814 457 A HN 1.038 nan 8.150 nan 0.000 0.444 458 A N -1.015 121.447 122.820 -0.597 0.000 1.898 458 A HA -0.131 4.369 4.320 0.300 0.000 0.216 458 A C 2.286 179.681 177.584 -0.314 0.000 1.181 458 A CA 1.546 53.281 52.037 -0.504 0.000 0.620 458 A CB -1.258 17.703 19.000 -0.066 0.000 0.819 458 A HN 0.580 nan 8.150 nan 0.000 0.442 459 C N -0.363 118.784 119.300 -0.255 0.000 2.413 459 C HA -0.119 4.521 4.460 0.300 0.000 0.276 459 C C 2.644 177.725 174.990 0.153 0.000 1.248 459 C CA 1.253 60.221 59.018 -0.084 0.000 1.742 459 C CB -1.358 26.215 27.740 -0.277 0.000 2.017 459 C HN 0.688 nan 8.230 nan 0.000 0.481 460 E N 0.296 120.448 120.200 -0.081 0.000 2.085 460 E HA -0.185 4.346 4.350 0.300 0.000 0.194 460 E C 2.118 178.608 176.600 -0.184 0.000 0.994 460 E CA 1.470 57.811 56.400 -0.099 0.000 0.801 460 E CB -0.182 29.418 29.700 -0.167 0.000 0.743 460 E HN 0.504 nan 8.360 nan 0.000 0.453 461 V N 0.201 119.873 119.914 -0.403 0.000 2.358 461 V HA -0.189 4.111 4.120 0.300 0.000 0.246 461 V C 1.405 177.190 176.094 -0.515 0.000 1.047 461 V CA 1.269 63.198 62.300 -0.619 0.000 1.035 461 V CB -0.313 30.790 31.823 -1.199 0.000 0.658 461 V HN 0.438 nan 8.190 nan 0.000 0.452 462 W N -0.357 120.865 121.300 -0.130 0.000 3.132 462 W HA 0.327 5.166 4.660 0.298 0.000 0.364 462 W C 1.883 178.270 176.519 -0.220 0.000 1.129 462 W CA -0.783 56.395 57.345 -0.278 0.000 1.815 462 W CB -0.230 28.850 29.460 -0.634 0.000 1.099 462 W HN 0.252 nan 8.180 nan 0.000 0.605 463 K N 1.787 122.235 120.400 0.080 0.000 2.052 463 K HA -0.238 4.263 4.320 0.300 0.000 0.215 463 K C 1.328 177.739 176.600 -0.315 0.000 1.053 463 K CA 1.828 57.978 56.287 -0.228 0.000 0.934 463 K CB 0.020 32.434 32.500 -0.143 0.000 0.717 463 K HN -0.156 nan 8.250 nan 0.000 0.450 464 E N 0.148 120.246 120.200 -0.170 0.000 2.444 464 E HA 0.045 4.576 4.350 0.300 0.000 0.191 464 E C -0.316 176.215 176.600 -0.115 0.000 1.041 464 E CA -0.018 56.289 56.400 -0.155 0.000 0.883 464 E CB 0.235 29.861 29.700 -0.125 0.000 1.024 464 E HN 0.235 nan 8.360 nan 0.000 0.470 465 I N 2.047 122.575 120.570 -0.071 0.000 2.322 465 I HA 0.175 4.525 4.170 0.300 0.000 0.292 465 I C 0.156 176.248 176.117 -0.042 0.000 1.060 465 I CA -0.261 60.997 61.300 -0.071 0.000 1.309 465 I CB 0.097 38.107 38.000 0.016 0.000 1.415 465 I HN -0.271 nan 8.210 nan 0.000 0.492 466 K N 5.731 125.980 120.400 -0.252 0.000 2.443 466 K HA 0.660 5.160 4.320 0.300 0.000 0.251 466 K C -1.246 175.104 176.600 -0.416 0.000 0.972 466 K CA -0.357 55.838 56.287 -0.153 0.000 0.833 466 K CB 2.069 34.536 32.500 -0.056 0.000 1.317 466 K HN 0.151 nan 8.250 nan 0.000 0.441 467 F N 1.276 121.316 119.950 0.151 0.000 2.513 467 F HA 0.360 5.066 4.527 0.299 0.000 0.358 467 F C -0.547 175.315 175.800 0.103 0.000 1.118 467 F CA -0.483 57.618 58.000 0.169 0.000 1.037 467 F CB 1.583 40.709 39.000 0.209 0.000 1.276 467 F HN 0.303 nan 8.300 nan 0.000 0.446 468 E N 3.985 124.195 120.200 0.017 0.000 2.255 468 E HA 0.587 5.118 4.350 0.300 0.000 0.256 468 E C -1.385 174.992 176.600 -0.371 0.000 0.887 468 E CA -0.524 55.831 56.400 -0.074 0.000 0.782 468 E CB 1.989 31.623 29.700 -0.111 0.000 1.214 468 E HN 0.328 nan 8.360 nan 0.000 0.417 469 F N 1.094 121.093 119.950 0.080 0.000 2.645 469 F HA 0.405 5.112 4.527 0.300 0.000 0.310 469 F C -2.123 173.708 175.800 0.051 0.000 1.102 469 F CA -2.093 55.945 58.000 0.063 0.000 0.952 469 F CB 1.024 40.066 39.000 0.070 0.000 1.326 469 F HN 0.258 nan 8.300 nan 0.000 0.456 470 P HA 0.398 nan 4.420 nan 0.000 0.268 470 P C -1.039 176.344 177.300 0.140 0.000 1.204 470 P CA -0.318 62.869 63.100 0.146 0.000 0.768 470 P CB 0.593 32.364 31.700 0.118 0.000 0.842 471 A N 2.967 125.852 122.820 0.109 0.000 2.340 471 A HA 0.356 4.856 4.320 0.300 0.000 0.268 471 A C 1.062 178.694 177.584 0.080 0.000 1.100 471 A CA -0.387 51.707 52.037 0.095 0.000 0.803 471 A CB 0.288 19.344 19.000 0.094 0.000 1.043 471 A HN 0.484 nan 8.150 nan 0.000 0.488 472 M N 0.411 120.053 119.600 0.070 0.000 2.394 472 M HA 0.059 4.719 4.480 0.300 0.000 0.266 472 M C 0.242 176.591 176.300 0.082 0.000 1.098 472 M CA 0.850 56.188 55.300 0.063 0.000 1.149 472 M CB -1.098 31.528 32.600 0.043 0.000 1.369 472 M HN 0.799 nan 8.290 nan 0.000 0.450 473 D N 2.454 122.913 120.400 0.099 0.000 2.467 473 D HA 0.251 5.071 4.640 0.300 0.000 0.220 473 D C -0.577 175.818 176.300 0.159 0.000 1.103 473 D CA 0.036 54.120 54.000 0.141 0.000 0.886 473 D CB 0.718 41.610 40.800 0.155 0.000 1.025 473 D HN 0.193 nan 8.370 nan 0.000 0.514 474 T N -0.336 114.301 114.554 0.138 0.000 2.924 474 T HA 0.577 5.107 4.350 0.300 0.000 0.291 474 T C 0.341 175.109 174.700 0.113 0.000 1.045 474 T CA -0.844 61.325 62.100 0.116 0.000 1.015 474 T CB 1.140 70.057 68.868 0.082 0.000 1.103 474 T HN 0.043 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.966 119.914 0.086 0.000 2.409 475 V HA 0.000 4.300 4.120 0.300 0.000 0.244 475 V CA 0.000 62.338 62.300 0.063 0.000 1.235 475 V CB 0.000 31.838 31.823 0.025 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556