REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1rcx_1_V DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.596 177.584 0.020 0.000 1.274 9 A CA 0.000 52.045 52.037 0.013 0.000 0.836 9 A CB 0.000 19.007 19.000 0.012 0.000 0.831 10 S N -0.284 115.431 115.700 0.026 0.000 2.586 10 S HA 0.709 5.179 4.470 -0.000 0.000 0.274 10 S C -0.042 174.581 174.600 0.039 0.000 1.281 10 S CA -0.027 58.196 58.200 0.038 0.000 1.035 10 S CB 1.363 64.591 63.200 0.045 0.000 0.962 10 S HN 2.257 nan 8.310 nan 0.000 0.512 11 V N 1.753 121.697 119.914 0.050 0.000 2.864 11 V HA 0.833 4.953 4.120 -0.000 0.000 0.314 11 V C 0.720 176.858 176.094 0.073 0.000 1.073 11 V CA -0.154 62.175 62.300 0.048 0.000 0.956 11 V CB 1.341 33.187 31.823 0.038 0.000 1.023 11 V HN 1.270 nan 8.190 nan 0.000 0.435 12 G N 2.962 111.801 108.800 0.065 0.000 2.794 12 G HA2 0.194 4.154 3.960 -0.000 0.000 0.249 12 G HA3 0.194 4.154 3.960 -0.000 0.000 0.249 12 G C -0.663 174.332 174.900 0.159 0.000 1.236 12 G CA -0.036 45.119 45.100 0.093 0.000 0.880 12 G HN 0.961 nan 8.290 nan 0.000 0.586 13 F N 0.174 120.144 119.950 0.033 0.000 2.411 13 F HA 0.614 5.141 4.527 0.000 0.000 0.350 13 F C 0.066 175.883 175.800 0.028 0.000 1.114 13 F CA -1.651 56.380 58.000 0.053 0.000 1.135 13 F CB 1.737 40.793 39.000 0.094 0.000 1.120 13 F HN 0.235 nan 8.300 nan 0.000 0.495 14 K N 5.751 125.893 120.400 -0.431 0.000 2.521 14 K HA 0.668 4.987 4.320 -0.000 0.000 0.248 14 K C -0.809 175.361 176.600 -0.716 0.000 0.978 14 K CA -0.429 55.555 56.287 -0.506 0.000 0.947 14 K CB 0.826 33.205 32.500 -0.202 0.000 1.165 14 K HN 0.751 nan 8.250 nan 0.000 0.445 15 A N 2.630 124.833 122.820 -1.028 0.000 2.466 15 A HA 0.605 4.925 4.320 -0.000 0.000 0.238 15 A C 0.569 177.993 177.584 -0.266 0.000 1.074 15 A CA 0.891 52.553 52.037 -0.626 0.000 0.774 15 A CB -0.345 18.410 19.000 -0.408 0.000 1.015 15 A HN 1.153 nan 8.150 nan 0.000 0.498 16 G N -1.471 107.235 108.800 -0.156 0.000 2.392 16 G HA2 0.431 4.391 3.960 -0.000 0.000 0.677 16 G HA3 0.431 4.391 3.960 -0.000 0.000 0.677 16 G C -0.464 174.359 174.900 -0.129 0.000 1.334 16 G CA -0.089 44.941 45.100 -0.116 0.000 0.961 16 G HN 2.288 nan 8.290 nan 0.000 0.616 17 V N -0.429 119.428 119.914 -0.094 0.000 2.716 17 V HA 0.988 5.108 4.120 -0.000 0.000 0.304 17 V C 0.135 176.178 176.094 -0.084 0.000 1.053 17 V CA 0.462 62.699 62.300 -0.104 0.000 0.984 17 V CB 1.420 33.235 31.823 -0.013 0.000 1.021 17 V HN 1.494 nan 8.190 nan 0.000 0.467 18 K N 2.086 122.417 120.400 -0.115 0.000 2.522 18 K HA 0.520 4.840 4.320 -0.000 0.000 0.275 18 K C -1.441 175.082 176.600 -0.129 0.000 1.006 18 K CA -0.924 55.310 56.287 -0.088 0.000 0.890 18 K CB 1.485 33.952 32.500 -0.054 0.000 1.475 18 K HN 0.524 nan 8.250 nan 0.000 0.441 19 D N 0.964 121.321 120.400 -0.072 0.000 2.443 19 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 19 D C 0.589 176.893 176.300 0.008 0.000 1.136 19 D CA 0.275 54.243 54.000 -0.052 0.000 0.879 19 D CB 0.216 41.019 40.800 0.005 0.000 1.195 19 D HN 0.425 nan 8.370 nan 0.000 0.443 20 Y N 1.156 121.491 120.300 0.059 0.000 2.352 20 Y HA -0.167 4.383 4.550 -0.000 0.000 0.292 20 Y C 2.260 178.283 175.900 0.205 0.000 1.136 20 Y CA 1.008 59.191 58.100 0.137 0.000 1.227 20 Y CB -0.235 38.240 38.460 0.025 0.000 0.991 20 Y HN 0.458 nan 8.280 nan 0.000 0.545 21 K N 0.242 120.800 120.400 0.264 0.000 2.280 21 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 21 K C 1.624 178.340 176.600 0.195 0.000 1.047 21 K CA 1.445 57.866 56.287 0.224 0.000 0.942 21 K CB -0.673 31.904 32.500 0.128 0.000 0.739 21 K HN 0.334 nan 8.250 nan 0.000 0.457 22 L N 1.141 122.452 121.223 0.145 0.000 2.131 22 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 22 L C 1.595 178.495 176.870 0.050 0.000 1.092 22 L CA 1.462 56.353 54.840 0.085 0.000 0.759 22 L CB -0.364 41.729 42.059 0.056 0.000 0.903 22 L HN 0.378 nan 8.230 nan 0.000 0.435 23 T N -3.289 111.302 114.554 0.061 0.000 2.987 23 T HA 0.054 4.404 4.350 -0.000 0.000 0.248 23 T C 1.002 175.486 174.700 -0.359 0.000 0.997 23 T CA 0.104 62.091 62.100 -0.188 0.000 1.013 23 T CB 0.174 68.842 68.868 -0.333 0.000 1.077 23 T HN 0.125 nan 8.240 nan 0.000 0.483 24 Y N -0.146 120.214 120.300 0.099 0.000 2.458 24 Y HA 0.410 4.960 4.550 -0.000 0.000 0.256 24 Y C 0.092 176.064 175.900 0.121 0.000 1.159 24 Y CA -1.106 57.041 58.100 0.078 0.000 1.261 24 Y CB 0.332 38.833 38.460 0.069 0.000 1.119 24 Y HN 0.164 nan 8.280 nan 0.000 0.524 25 Y N 0.891 121.252 120.300 0.102 0.000 2.353 25 Y HA 0.479 5.029 4.550 -0.000 0.000 0.340 25 Y C -0.251 175.679 175.900 0.051 0.000 0.972 25 Y CA -1.188 56.950 58.100 0.063 0.000 1.157 25 Y CB 1.146 39.630 38.460 0.040 0.000 1.157 25 Y HN -0.173 nan 8.280 nan 0.000 0.495 26 T N 9.591 123.980 114.554 -0.275 0.000 3.542 26 T HA 0.172 4.522 4.350 -0.000 0.000 0.276 26 T C -1.981 172.614 174.700 -0.174 0.000 1.412 26 T CA -0.841 61.136 62.100 -0.204 0.000 1.664 26 T CB 0.626 69.442 68.868 -0.087 0.000 0.863 26 T HN 0.511 nan 8.240 nan 0.000 0.661 27 P HA -0.032 nan 4.420 nan 0.000 0.223 27 P C 0.831 178.134 177.300 0.005 0.000 1.144 27 P CA 1.015 63.979 63.100 -0.227 0.000 0.783 27 P CB 0.581 32.042 31.700 -0.399 0.000 0.771 28 E N -1.885 118.313 120.200 -0.004 0.000 2.474 28 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 28 E C 0.154 176.797 176.600 0.072 0.000 1.039 28 E CA -0.481 55.938 56.400 0.031 0.000 0.881 28 E CB -0.758 28.944 29.700 0.003 0.000 0.970 28 E HN 0.232 nan 8.360 nan 0.000 0.486 29 Y N 1.846 122.138 120.300 -0.013 0.000 2.526 29 Y HA 0.057 4.607 4.550 -0.000 0.000 0.330 29 Y C 0.034 175.891 175.900 -0.073 0.000 1.156 29 Y CA 0.064 58.144 58.100 -0.034 0.000 1.419 29 Y CB 0.402 38.854 38.460 -0.013 0.000 1.250 29 Y HN -0.135 nan 8.280 nan 0.000 0.540 30 E N 4.120 123.873 120.200 -0.744 0.000 2.156 30 E HA 0.165 4.515 4.350 -0.000 0.000 0.279 30 E C -0.348 175.537 176.600 -1.191 0.000 0.965 30 E CA -0.669 55.326 56.400 -0.675 0.000 0.789 30 E CB 0.851 30.308 29.700 -0.406 0.000 1.098 30 E HN 0.737 nan 8.360 nan 0.000 0.397 31 T N 1.009 115.075 114.554 -0.812 0.000 2.930 31 T HA 0.218 4.568 4.350 -0.000 0.000 0.306 31 T C 0.462 174.956 174.700 -0.343 0.000 1.045 31 T CA -0.496 61.266 62.100 -0.562 0.000 1.134 31 T CB 0.396 69.036 68.868 -0.380 0.000 0.961 31 T HN 0.255 nan 8.240 nan 0.000 0.545 32 L N 2.286 123.412 121.223 -0.162 0.000 2.418 32 L HA 0.286 4.626 4.340 -0.000 0.000 0.265 32 L C 1.340 178.176 176.870 -0.058 0.000 1.143 32 L CA -0.744 54.043 54.840 -0.089 0.000 0.809 32 L CB 0.507 42.563 42.059 -0.005 0.000 1.124 32 L HN 0.743 nan 8.230 nan 0.000 0.456 33 D N 0.162 120.533 120.400 -0.049 0.000 2.378 33 D HA -0.074 4.566 4.640 -0.000 0.000 0.227 33 D C 1.478 177.768 176.300 -0.016 0.000 1.012 33 D CA 1.082 55.061 54.000 -0.035 0.000 0.905 33 D CB 0.305 41.088 40.800 -0.028 0.000 0.895 33 D HN 0.730 nan 8.370 nan 0.000 0.532 34 T N -2.796 111.759 114.554 0.001 0.000 3.069 34 T HA 0.047 4.397 4.350 -0.000 0.000 0.252 34 T C 0.555 175.274 174.700 0.032 0.000 1.053 34 T CA -0.513 61.602 62.100 0.024 0.000 0.964 34 T CB 0.644 69.537 68.868 0.042 0.000 1.005 34 T HN -0.235 nan 8.240 nan 0.000 0.532 35 D N 1.518 121.936 120.400 0.031 0.000 2.362 35 D HA 0.328 4.968 4.640 -0.000 0.000 0.242 35 D C -0.015 176.285 176.300 0.000 0.000 1.132 35 D CA -0.371 53.668 54.000 0.065 0.000 0.907 35 D CB 0.923 41.774 40.800 0.085 0.000 1.195 35 D HN 0.323 nan 8.370 nan 0.000 0.429 36 I N 2.256 122.849 120.570 0.038 0.000 2.315 36 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 36 I C -0.109 176.055 176.117 0.078 0.000 1.006 36 I CA -0.557 60.687 61.300 -0.094 0.000 1.265 36 I CB 0.694 38.479 38.000 -0.358 0.000 1.387 36 I HN 0.032 nan 8.210 nan 0.000 0.475 37 L N 6.201 127.345 121.223 -0.131 0.000 2.322 37 L HA 0.766 5.106 4.340 -0.000 0.000 0.279 37 L C 0.040 176.801 176.870 -0.182 0.000 1.036 37 L CA -0.584 54.181 54.840 -0.125 0.000 0.807 37 L CB 1.692 43.485 42.059 -0.443 0.000 1.226 37 L HN 0.617 nan 8.230 nan 0.000 0.433 38 A N 2.174 125.102 122.820 0.181 0.000 2.371 38 A HA 0.854 5.174 4.320 -0.000 0.000 0.311 38 A C -0.606 177.094 177.584 0.194 0.000 1.068 38 A CA -0.545 51.559 52.037 0.111 0.000 0.744 38 A CB 1.683 20.720 19.000 0.063 0.000 1.239 38 A HN 0.749 nan 8.150 nan 0.000 0.435 39 A N 2.026 124.853 122.820 0.010 0.000 2.277 39 A HA 0.700 5.020 4.320 -0.000 0.000 0.318 39 A C -1.136 176.171 177.584 -0.462 0.000 1.339 39 A CA -0.258 51.559 52.037 -0.366 0.000 0.875 39 A CB -0.300 18.325 19.000 -0.625 0.000 1.158 39 A HN 0.603 nan 8.150 nan 0.000 0.514 40 F N 1.368 121.155 119.950 -0.272 0.000 2.420 40 F HA 0.462 4.989 4.527 -0.000 0.000 0.342 40 F C 0.986 176.662 175.800 -0.206 0.000 1.113 40 F CA -0.338 57.538 58.000 -0.208 0.000 1.059 40 F CB 1.635 40.534 39.000 -0.168 0.000 1.128 40 F HN 0.599 nan 8.300 nan 0.000 0.475 41 R N 3.915 124.438 120.500 0.038 0.000 2.235 41 R HA 0.502 4.842 4.340 -0.000 0.000 0.338 41 R C -1.640 174.673 176.300 0.023 0.000 1.087 41 R CA -0.238 55.875 56.100 0.021 0.000 0.948 41 R CB 0.300 30.614 30.300 0.023 0.000 1.099 41 R HN 0.527 nan 8.270 nan 0.000 0.483 42 V N 3.570 123.502 119.914 0.030 0.000 2.407 42 V HA 0.236 4.356 4.120 -0.000 0.000 0.278 42 V C -0.088 176.042 176.094 0.060 0.000 1.037 42 V CA -0.444 61.859 62.300 0.005 0.000 0.900 42 V CB 1.738 33.546 31.823 -0.024 0.000 0.983 42 V HN 0.717 nan 8.190 nan 0.000 0.459 43 S N 6.899 122.618 115.700 0.031 0.000 2.516 43 S HA 0.425 4.895 4.470 -0.000 0.000 0.268 43 S C -2.585 172.036 174.600 0.036 0.000 1.251 43 S CA -1.017 57.210 58.200 0.044 0.000 1.153 43 S CB 1.065 64.288 63.200 0.040 0.000 1.009 43 S HN 0.580 nan 8.310 nan 0.000 0.479 44 P HA 0.156 nan 4.420 nan 0.000 0.274 44 P C -0.171 177.135 177.300 0.010 0.000 1.231 44 P CA -0.523 62.583 63.100 0.009 0.000 0.790 44 P CB 0.492 32.196 31.700 0.007 0.000 0.951 45 Q N 2.027 121.821 119.800 -0.011 0.000 2.417 45 Q HA 0.200 4.540 4.340 -0.000 0.000 0.241 45 Q C -2.044 173.954 176.000 -0.004 0.000 1.008 45 Q CA -1.485 54.315 55.803 -0.004 0.000 0.901 45 Q CB -0.678 28.053 28.738 -0.012 0.000 1.259 45 Q HN 0.320 nan 8.270 nan 0.000 0.489 46 P HA -0.024 nan 4.420 nan 0.000 0.264 46 P C 0.453 177.749 177.300 -0.007 0.000 1.193 46 P CA 1.230 64.332 63.100 0.002 0.000 0.763 46 P CB 0.333 32.034 31.700 0.002 0.000 0.810 47 G N 1.427 110.222 108.800 -0.008 0.000 2.217 47 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.246 47 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.246 47 G C -0.034 174.847 174.900 -0.032 0.000 0.990 47 G CA -0.167 44.923 45.100 -0.017 0.000 0.627 47 G HN 0.513 nan 8.290 nan 0.000 0.522 48 V N 3.902 123.793 119.914 -0.039 0.000 2.333 48 V HA 0.469 4.589 4.120 -0.000 0.000 0.274 48 V C -1.263 174.780 176.094 -0.086 0.000 1.028 48 V CA -1.415 60.844 62.300 -0.068 0.000 0.851 48 V CB 1.345 33.119 31.823 -0.083 0.000 1.000 48 V HN 0.279 nan 8.190 nan 0.000 0.456 49 P HA 0.218 nan 4.420 nan 0.000 0.271 49 P C -2.310 174.825 177.300 -0.274 0.000 1.218 49 P CA -1.550 61.452 63.100 -0.164 0.000 0.780 49 P CB 0.820 32.432 31.700 -0.145 0.000 0.901 50 P HA -0.214 nan 4.420 nan 0.000 0.216 50 P C 1.300 178.280 177.300 -0.534 0.000 1.157 50 P CA 1.706 64.393 63.100 -0.688 0.000 0.880 50 P CB 0.010 31.002 31.700 -1.181 0.000 0.791 51 E N -0.580 119.289 120.200 -0.551 0.000 2.085 51 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 51 E C 2.043 178.402 176.600 -0.401 0.000 0.994 51 E CA 1.318 57.297 56.400 -0.703 0.000 0.801 51 E CB -0.733 28.528 29.700 -0.733 0.000 0.743 51 E HN 0.302 nan 8.360 nan 0.000 0.453 52 E N 0.180 120.226 120.200 -0.257 0.000 2.152 52 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 52 E C 1.776 178.271 176.600 -0.174 0.000 0.983 52 E CA 1.072 57.390 56.400 -0.135 0.000 0.818 52 E CB -0.211 29.436 29.700 -0.089 0.000 0.758 52 E HN 0.227 nan 8.360 nan 0.000 0.467 53 A N 0.244 122.924 122.820 -0.235 0.000 1.855 53 A HA -0.018 4.301 4.320 -0.000 0.000 0.215 53 A C 2.483 179.906 177.584 -0.269 0.000 1.191 53 A CA 1.703 53.586 52.037 -0.257 0.000 0.613 53 A CB -1.413 17.453 19.000 -0.224 0.000 0.829 53 A HN 0.406 nan 8.150 nan 0.000 0.442 54 G N -0.576 108.073 108.800 -0.252 0.000 2.442 54 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.219 54 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.219 54 G C 1.709 176.521 174.900 -0.147 0.000 1.141 54 G CA 1.538 46.520 45.100 -0.198 0.000 0.763 54 G HN 0.819 nan 8.290 nan 0.000 0.554 55 A N 1.049 123.805 122.820 -0.107 0.000 1.930 55 A HA 0.345 4.665 4.320 -0.000 0.000 0.217 55 A C 2.796 180.236 177.584 -0.240 0.000 1.175 55 A CA 2.049 54.083 52.037 -0.005 0.000 0.627 55 A CB -0.680 18.404 19.000 0.140 0.000 0.815 55 A HN 0.742 nan 8.150 nan 0.000 0.443 56 A N -0.565 122.014 122.820 -0.402 0.000 1.933 56 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 56 A C 2.217 179.487 177.584 -0.523 0.000 1.175 56 A CA 1.726 53.224 52.037 -0.898 0.000 0.628 56 A CB -0.830 17.668 19.000 -0.837 0.000 0.814 56 A HN 0.349 nan 8.150 nan 0.000 0.444 57 V N -0.242 119.466 119.914 -0.342 0.000 2.307 57 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 57 V C 3.061 179.007 176.094 -0.247 0.000 1.045 57 V CA 1.928 64.047 62.300 -0.302 0.000 1.024 57 V CB -1.127 30.378 31.823 -0.529 0.000 0.651 57 V HN 0.612 nan 8.190 nan 0.000 0.449 58 A N -0.170 122.521 122.820 -0.215 0.000 1.902 58 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 58 A C 2.406 179.860 177.584 -0.216 0.000 1.181 58 A CA 2.094 54.057 52.037 -0.123 0.000 0.623 58 A CB -0.767 18.225 19.000 -0.013 0.000 0.818 58 A HN 0.556 nan 8.150 nan 0.000 0.443 59 A N -0.266 122.195 122.820 -0.600 0.000 1.845 59 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 59 A C 1.859 179.177 177.584 -0.444 0.000 1.195 59 A CA 1.559 52.957 52.037 -1.066 0.000 0.616 59 A CB -0.498 17.678 19.000 -1.373 0.000 0.832 59 A HN 0.455 nan 8.150 nan 0.000 0.443 60 E N 0.507 120.510 120.200 -0.328 0.000 2.478 60 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 60 E C 1.657 178.210 176.600 -0.078 0.000 1.046 60 E CA 1.042 57.354 56.400 -0.146 0.000 0.870 60 E CB -0.189 29.429 29.700 -0.136 0.000 0.818 60 E HN 0.720 nan 8.360 nan 0.000 0.527 61 S N -0.896 114.799 115.700 -0.009 0.000 2.557 61 S HA 0.127 4.597 4.470 -0.000 0.000 0.223 61 S C 1.399 176.112 174.600 0.188 0.000 0.969 61 S CA 0.324 58.595 58.200 0.120 0.000 0.927 61 S CB 0.311 63.672 63.200 0.268 0.000 0.806 61 S HN 0.160 nan 8.310 nan 0.000 0.489 62 S N 1.367 117.138 115.700 0.119 0.000 4.640 62 S HA 0.148 4.618 4.470 -0.000 0.000 0.157 62 S C 1.379 176.018 174.600 0.065 0.000 0.963 62 S CA 0.568 58.852 58.200 0.140 0.000 1.235 62 S CB -0.274 63.089 63.200 0.272 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.773 113.842 114.554 0.102 0.000 2.975 63 T HA 0.500 4.850 4.350 -0.000 0.000 0.261 63 T C 0.835 175.592 174.700 0.095 0.000 0.984 63 T CA 0.405 62.565 62.100 0.099 0.000 0.911 63 T CB 0.175 69.148 68.868 0.176 0.000 1.127 63 T HN 0.731 nan 8.240 nan 0.000 0.514 64 G N 0.211 109.038 108.800 0.045 0.000 2.461 64 G HA2 0.572 4.532 3.960 -0.000 0.000 0.329 64 G HA3 0.572 4.532 3.960 -0.000 0.000 0.329 64 G C -0.962 173.995 174.900 0.095 0.000 1.170 64 G CA -0.351 44.793 45.100 0.074 0.000 0.935 64 G HN 0.270 nan 8.290 nan 0.000 0.492 65 T N -1.162 113.481 114.554 0.149 0.000 2.742 65 T HA 0.399 4.749 4.350 -0.000 0.000 0.282 65 T C 0.845 175.682 174.700 0.229 0.000 1.025 65 T CA -0.450 61.770 62.100 0.200 0.000 1.020 65 T CB 0.834 69.769 68.868 0.110 0.000 1.317 65 T HN 0.681 nan 8.240 nan 0.000 0.538 66 W N 0.922 122.321 121.300 0.164 0.000 2.465 66 W HA 0.197 4.857 4.660 -0.000 0.000 0.268 66 W C 0.378 176.876 176.519 -0.036 0.000 1.242 66 W CA 0.840 58.227 57.345 0.071 0.000 1.248 66 W CB -1.192 28.332 29.460 0.106 0.000 1.118 66 W HN 0.558 nan 8.180 nan 0.000 0.587 67 T N 0.636 114.648 114.554 -0.902 0.000 2.865 67 T HA 0.360 4.710 4.350 -0.000 0.000 0.294 67 T C -0.498 173.963 174.700 -0.398 0.000 1.119 67 T CA -0.375 61.260 62.100 -0.776 0.000 1.007 67 T CB 1.829 69.879 68.868 -1.363 0.000 1.225 67 T HN -0.207 nan 8.240 nan 0.000 0.515 68 T N 2.492 116.933 114.554 -0.189 0.000 2.814 68 T HA 0.465 4.814 4.350 -0.000 0.000 0.297 68 T C 0.138 174.937 174.700 0.164 0.000 0.956 68 T CA -0.407 61.706 62.100 0.022 0.000 1.123 68 T CB 0.142 69.075 68.868 0.108 0.000 0.902 68 T HN 0.655 nan 8.240 nan 0.000 0.528 69 V N 3.496 123.437 119.914 0.044 0.000 2.483 69 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 69 V C 1.265 177.163 176.094 -0.326 0.000 1.035 69 V CA -1.138 61.081 62.300 -0.136 0.000 0.896 69 V CB 1.105 32.776 31.823 -0.252 0.000 0.986 69 V HN 1.040 nan 8.190 nan 0.000 0.447 70 W N 2.946 123.734 121.300 -0.854 0.000 2.392 70 W HA -0.124 4.536 4.660 -0.000 0.000 0.279 70 W C 1.468 177.757 176.519 -0.383 0.000 1.225 70 W CA 1.487 58.250 57.345 -0.970 0.000 1.233 70 W CB -1.748 26.921 29.460 -1.318 0.000 1.122 70 W HN 0.764 nan 8.180 nan 0.000 0.561 71 T N -1.002 112.919 114.554 -1.055 0.000 2.977 71 T HA -0.235 4.115 4.350 -0.000 0.000 0.271 71 T C 1.137 175.628 174.700 -0.348 0.000 1.105 71 T CA 1.651 63.218 62.100 -0.888 0.000 1.116 71 T CB -0.621 67.644 68.868 -1.006 0.000 0.878 71 T HN -0.052 nan 8.240 nan 0.000 0.509 72 D N 1.957 122.224 120.400 -0.222 0.000 2.182 72 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 72 D C 2.333 178.619 176.300 -0.023 0.000 0.986 72 D CA 1.317 55.268 54.000 -0.081 0.000 0.847 72 D CB -0.893 39.896 40.800 -0.018 0.000 0.942 72 D HN 0.612 nan 8.370 nan 0.000 0.467 73 G N 0.198 109.000 108.800 0.003 0.000 2.509 73 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 73 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 73 G C 1.611 176.545 174.900 0.057 0.000 1.124 73 G CA 0.068 45.203 45.100 0.058 0.000 0.776 73 G HN 0.284 nan 8.290 nan 0.000 0.547 74 L N 0.626 121.865 121.223 0.025 0.000 2.395 74 L HA 0.119 4.459 4.340 -0.000 0.000 0.218 74 L C 1.351 178.236 176.870 0.026 0.000 1.130 74 L CA 0.497 55.356 54.840 0.031 0.000 0.826 74 L CB -0.345 41.713 42.059 -0.001 0.000 0.941 74 L HN 0.159 nan 8.230 nan 0.000 0.451 75 T N -2.377 112.192 114.554 0.025 0.000 2.844 75 T HA 0.215 4.565 4.350 -0.000 0.000 0.274 75 T C -0.200 174.558 174.700 0.096 0.000 0.991 75 T CA -0.611 61.535 62.100 0.077 0.000 0.983 75 T CB 1.272 70.195 68.868 0.092 0.000 1.310 75 T HN -0.158 nan 8.240 nan 0.000 0.596 76 N N 0.974 119.767 118.700 0.156 0.000 2.936 76 N HA 0.180 4.920 4.740 -0.000 0.000 0.243 76 N C 0.522 176.098 175.510 0.110 0.000 1.149 76 N CA -0.585 52.513 53.050 0.079 0.000 0.914 76 N CB 0.314 38.807 38.487 0.011 0.000 1.179 76 N HN 0.521 nan 8.380 nan 0.000 0.502 77 L N 2.249 123.528 121.223 0.095 0.000 2.081 77 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 77 L C 1.093 177.976 176.870 0.022 0.000 1.080 77 L CA 1.898 56.795 54.840 0.095 0.000 0.754 77 L CB -0.120 41.962 42.059 0.039 0.000 0.893 77 L HN 0.409 nan 8.230 nan 0.000 0.433 78 D N -1.154 119.220 120.400 -0.043 0.000 2.310 78 D HA -0.168 4.472 4.640 -0.000 0.000 0.212 78 D C 2.181 178.413 176.300 -0.113 0.000 0.965 78 D CA 0.630 54.577 54.000 -0.088 0.000 0.879 78 D CB -0.168 40.586 40.800 -0.077 0.000 0.921 78 D HN 0.407 nan 8.370 nan 0.000 0.510 79 R N -0.477 119.918 120.500 -0.174 0.000 2.119 79 R HA -0.095 4.245 4.340 -0.000 0.000 0.222 79 R C 1.229 177.265 176.300 -0.440 0.000 1.088 79 R CA 0.885 56.774 56.100 -0.352 0.000 0.984 79 R CB 0.115 30.086 30.300 -0.547 0.000 0.884 79 R HN 0.204 nan 8.270 nan 0.000 0.447 80 Y N 0.715 121.009 120.300 -0.011 0.000 2.524 80 Y HA 0.113 4.663 4.550 0.000 0.000 0.270 80 Y C 0.348 176.259 175.900 0.017 0.000 1.094 80 Y CA -0.086 58.013 58.100 -0.001 0.000 1.276 80 Y CB 0.069 38.526 38.460 -0.006 0.000 1.130 80 Y HN -0.076 nan 8.280 nan 0.000 0.536 81 K N 1.459 121.949 120.400 0.150 0.000 2.485 81 K HA 0.235 4.555 4.320 -0.000 0.000 0.277 81 K C 0.541 177.201 176.600 0.099 0.000 0.990 81 K CA 0.317 56.699 56.287 0.159 0.000 0.994 81 K CB 0.477 32.979 32.500 0.003 0.000 0.906 81 K HN 0.158 nan 8.250 nan 0.000 0.488 82 G N 2.467 111.372 108.800 0.175 0.000 2.507 82 G HA2 0.336 4.296 3.960 -0.000 0.000 0.271 82 G HA3 0.336 4.296 3.960 -0.000 0.000 0.271 82 G C -0.729 174.181 174.900 0.017 0.000 1.189 82 G CA -0.992 44.089 45.100 -0.033 0.000 0.859 82 G HN 0.819 nan 8.290 nan 0.000 0.542 83 R N -0.023 120.409 120.500 -0.115 0.000 2.566 83 R HA 0.343 4.683 4.340 -0.000 0.000 0.271 83 R C -1.676 174.672 176.300 0.080 0.000 1.071 83 R CA -0.735 55.357 56.100 -0.013 0.000 0.915 83 R CB 0.584 30.774 30.300 -0.183 0.000 1.228 83 R HN 0.491 nan 8.270 nan 0.000 0.449 84 C N 5.206 124.596 119.300 0.151 0.000 2.416 84 C HA 0.302 4.762 4.460 -0.000 0.000 0.355 84 C C 0.902 176.036 174.990 0.240 0.000 1.211 84 C CA -0.473 58.661 59.018 0.193 0.000 1.699 84 C CB -1.741 26.140 27.740 0.235 0.000 2.310 84 C HN 0.868 nan 8.230 nan 0.000 0.539 85 Y N 2.945 123.378 120.300 0.222 0.000 2.449 85 Y HA 0.456 5.006 4.550 -0.000 0.000 0.254 85 Y C 0.755 176.838 175.900 0.305 0.000 1.140 85 Y CA -0.124 58.100 58.100 0.207 0.000 1.272 85 Y CB -0.439 38.202 38.460 0.303 0.000 1.114 85 Y HN 0.784 nan 8.280 nan 0.000 0.525 86 H N 0.060 119.068 119.070 -0.102 0.000 3.094 86 H HA 0.542 5.098 4.556 -0.000 0.000 0.346 86 H C -2.041 173.406 175.328 0.197 0.000 1.238 86 H CA -0.953 55.120 56.048 0.042 0.000 1.209 86 H CB 1.991 31.681 29.762 -0.120 0.000 1.911 86 H HN 0.107 nan 8.280 nan 0.000 0.540 87 I N 3.985 124.247 120.570 -0.513 0.000 2.534 87 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 87 I C -0.837 175.061 176.117 -0.365 0.000 1.077 87 I CA -0.554 60.587 61.300 -0.265 0.000 1.051 87 I CB 2.229 40.129 38.000 -0.167 0.000 1.234 87 I HN 0.524 nan 8.210 nan 0.000 0.425 88 E N 7.904 128.083 120.200 -0.035 0.000 2.224 88 E HA 0.546 4.896 4.350 -0.000 0.000 0.265 88 E C -2.910 173.803 176.600 0.188 0.000 0.878 88 E CA -2.098 54.358 56.400 0.094 0.000 0.759 88 E CB 2.581 32.425 29.700 0.241 0.000 1.164 88 E HN 0.158 nan 8.360 nan 0.000 0.414 89 P HA 0.009 nan 4.420 nan 0.000 0.271 89 P C -0.147 177.132 177.300 -0.036 0.000 1.218 89 P CA -0.411 62.713 63.100 0.039 0.000 0.780 89 P CB 1.128 32.849 31.700 0.035 0.000 0.901 90 V N 2.804 122.630 119.914 -0.147 0.000 2.432 90 V HA 0.272 4.392 4.120 -0.000 0.000 0.271 90 V C 1.070 177.120 176.094 -0.073 0.000 1.046 90 V CA -0.572 61.683 62.300 -0.075 0.000 0.945 90 V CB 0.333 32.111 31.823 -0.076 0.000 0.992 90 V HN 0.727 nan 8.190 nan 0.000 0.471 91 A N 4.363 127.165 122.820 -0.030 0.000 2.524 91 A HA 0.493 4.813 4.320 -0.000 0.000 0.250 91 A C 1.521 179.089 177.584 -0.027 0.000 1.078 91 A CA 0.616 52.639 52.037 -0.024 0.000 0.761 91 A CB -0.502 18.493 19.000 -0.008 0.000 1.012 91 A HN 2.154 nan 8.150 nan 0.000 0.500 92 G N 1.390 110.172 108.800 -0.030 0.000 2.162 92 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.260 92 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.260 92 G C -0.008 174.870 174.900 -0.036 0.000 0.976 92 G CA 0.478 45.563 45.100 -0.025 0.000 0.655 92 G HN 0.789 nan 8.290 nan 0.000 0.533 93 E N 0.590 120.753 120.200 -0.062 0.000 2.202 93 E HA 0.530 4.880 4.350 -0.000 0.000 0.272 93 E C -0.335 176.202 176.600 -0.105 0.000 0.951 93 E CA -0.575 55.776 56.400 -0.081 0.000 0.813 93 E CB 1.266 30.903 29.700 -0.105 0.000 1.151 93 E HN 0.430 nan 8.360 nan 0.000 0.398 94 E N 1.590 121.740 120.200 -0.083 0.000 2.081 94 E HA 0.219 4.569 4.350 -0.000 0.000 0.276 94 E C -0.310 176.233 176.600 -0.094 0.000 0.950 94 E CA -0.608 55.749 56.400 -0.072 0.000 0.776 94 E CB 0.289 29.967 29.700 -0.036 0.000 1.094 94 E HN 0.337 nan 8.360 nan 0.000 0.402 95 N N 2.591 121.213 118.700 -0.131 0.000 2.714 95 N HA -0.259 4.481 4.740 -0.000 0.000 0.253 95 N C -1.316 174.089 175.510 -0.175 0.000 1.024 95 N CA 0.823 53.805 53.050 -0.113 0.000 0.726 95 N CB -0.588 37.903 38.487 0.006 0.000 0.908 95 N HN 0.693 nan 8.380 nan 0.000 0.542 96 Q N 0.795 120.324 119.800 -0.452 0.000 2.289 96 Q HA 0.503 4.843 4.340 -0.000 0.000 0.270 96 Q C -1.531 174.109 176.000 -0.600 0.000 1.038 96 Q CA -0.700 54.911 55.803 -0.321 0.000 0.812 96 Q CB 1.064 29.713 28.738 -0.148 0.000 1.300 96 Q HN 0.268 nan 8.270 nan 0.000 0.427 97 Y N 1.828 122.114 120.300 -0.024 0.000 2.576 97 Y HA 0.514 5.064 4.550 -0.000 0.000 0.346 97 Y C -0.273 175.612 175.900 -0.025 0.000 1.018 97 Y CA -1.183 56.902 58.100 -0.024 0.000 1.050 97 Y CB 1.502 39.930 38.460 -0.054 0.000 1.280 97 Y HN 0.472 nan 8.280 nan 0.000 0.474 98 I N 2.401 123.062 120.570 0.152 0.000 2.306 98 I HA 0.204 4.374 4.170 -0.000 0.000 0.288 98 I C -0.715 175.395 176.117 -0.012 0.000 1.036 98 I CA -0.581 60.738 61.300 0.032 0.000 1.221 98 I CB 0.044 38.088 38.000 0.072 0.000 1.385 98 I HN 0.578 nan 8.210 nan 0.000 0.472 99 C N 7.074 126.343 119.300 -0.053 0.000 2.307 99 C HA 0.426 4.886 4.460 -0.000 0.000 0.340 99 C C 0.094 175.031 174.990 -0.088 0.000 1.275 99 C CA -0.644 58.362 59.018 -0.021 0.000 1.811 99 C CB -0.407 27.319 27.740 -0.023 0.000 2.372 99 C HN 0.467 nan 8.230 nan 0.000 0.531 100 Y N 1.929 122.210 120.300 -0.030 0.000 2.313 100 Y HA 0.533 5.083 4.550 -0.000 0.000 0.332 100 Y C 0.368 176.182 175.900 -0.142 0.000 1.071 100 Y CA -0.283 57.762 58.100 -0.092 0.000 1.169 100 Y CB 0.780 38.986 38.460 -0.423 0.000 1.192 100 Y HN 0.415 nan 8.280 nan 0.000 0.487 101 V N 2.847 122.929 119.914 0.280 0.000 2.604 101 V HA 0.815 4.935 4.120 -0.000 0.000 0.305 101 V C -0.362 175.889 176.094 0.262 0.000 1.043 101 V CA -1.133 61.292 62.300 0.209 0.000 0.888 101 V CB 1.637 33.517 31.823 0.096 0.000 0.995 101 V HN 0.849 nan 8.190 nan 0.000 0.429 102 A N 4.042 126.960 122.820 0.163 0.000 2.318 102 A HA 0.861 5.181 4.320 -0.000 0.000 0.324 102 A C -1.476 176.019 177.584 -0.149 0.000 1.170 102 A CA -0.390 51.708 52.037 0.102 0.000 0.810 102 A CB 0.629 19.697 19.000 0.114 0.000 1.198 102 A HN 0.747 nan 8.150 nan 0.000 0.484 103 Y N 2.408 122.825 120.300 0.194 0.000 2.331 103 Y HA 0.424 4.974 4.550 0.000 0.000 0.334 103 Y C -2.380 173.661 175.900 0.234 0.000 0.960 103 Y CA -2.395 55.846 58.100 0.234 0.000 1.130 103 Y CB 1.741 40.461 38.460 0.434 0.000 1.164 103 Y HN 0.494 nan 8.280 nan 0.000 0.458 104 P HA -0.057 nan 4.420 nan 0.000 0.266 104 P C 0.803 178.265 177.300 0.271 0.000 1.195 104 P CA -0.076 63.148 63.100 0.206 0.000 0.768 104 P CB 0.907 32.680 31.700 0.122 0.000 0.838 105 L N 3.377 124.722 121.223 0.203 0.000 2.051 105 L HA -0.236 4.104 4.340 -0.000 0.000 0.214 105 L C 1.309 178.312 176.870 0.222 0.000 1.076 105 L CA 2.112 57.076 54.840 0.207 0.000 0.758 105 L CB -1.127 41.012 42.059 0.134 0.000 0.890 105 L HN 0.307 nan 8.230 nan 0.000 0.433 106 D N -0.759 119.743 120.400 0.169 0.000 2.354 106 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 106 D C 2.136 178.474 176.300 0.064 0.000 0.970 106 D CA 0.899 54.997 54.000 0.162 0.000 0.905 106 D CB -0.148 40.814 40.800 0.270 0.000 0.903 106 D HN 0.412 nan 8.370 nan 0.000 0.508 107 L N -0.881 120.292 121.223 -0.083 0.000 2.478 107 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 107 L C 0.146 176.582 176.870 -0.723 0.000 1.140 107 L CA 0.295 54.865 54.840 -0.450 0.000 0.842 107 L CB -0.116 41.538 42.059 -0.675 0.000 0.953 107 L HN -0.103 nan 8.230 nan 0.000 0.452 108 F N -0.388 119.530 119.950 -0.054 0.000 2.480 108 F HA 0.323 4.850 4.527 -0.000 0.000 0.329 108 F C 0.594 176.439 175.800 0.075 0.000 1.091 108 F CA -1.185 56.782 58.000 -0.056 0.000 0.972 108 F CB 1.080 39.886 39.000 -0.324 0.000 1.150 108 F HN -0.187 nan 8.300 nan 0.000 0.467 109 E N 1.651 122.014 120.200 0.273 0.000 2.316 109 E HA 0.156 4.506 4.350 -0.000 0.000 0.275 109 E C -0.831 175.921 176.600 0.253 0.000 1.029 109 E CA -0.611 55.902 56.400 0.189 0.000 0.871 109 E CB 0.607 30.366 29.700 0.098 0.000 1.022 109 E HN 0.503 nan 8.360 nan 0.000 0.418 110 E N 2.614 122.893 120.200 0.133 0.000 2.452 110 E HA 0.167 4.517 4.350 -0.000 0.000 0.261 110 E C 0.965 177.336 176.600 -0.381 0.000 0.987 110 E CA 1.362 57.728 56.400 -0.057 0.000 0.926 110 E CB 0.507 30.167 29.700 -0.066 0.000 0.934 110 E HN 0.820 nan 8.360 nan 0.000 0.452 111 G N 2.577 110.733 108.800 -1.073 0.000 2.175 111 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 111 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 111 G C 0.397 174.830 174.900 -0.777 0.000 0.979 111 G CA 0.618 44.789 45.100 -1.548 0.000 0.663 111 G HN 0.559 nan 8.290 nan 0.000 0.533 112 S N -0.344 115.191 115.700 -0.275 0.000 2.528 112 S HA 0.528 4.998 4.470 -0.000 0.000 0.303 112 S C 1.558 176.259 174.600 0.168 0.000 1.123 112 S CA 0.092 58.315 58.200 0.038 0.000 1.138 112 S CB 1.184 64.413 63.200 0.049 0.000 0.984 112 S HN 0.544 nan 8.310 nan 0.000 0.474 113 V N 4.938 124.907 119.914 0.092 0.000 2.407 113 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 113 V C 2.584 178.417 176.094 -0.435 0.000 1.055 113 V CA 2.412 64.499 62.300 -0.355 0.000 1.049 113 V CB -1.051 30.233 31.823 -0.899 0.000 0.662 113 V HN 0.833 nan 8.190 nan 0.000 0.455 114 T N 0.039 114.485 114.554 -0.179 0.000 2.665 114 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 114 T C 1.918 176.646 174.700 0.047 0.000 1.035 114 T CA 1.993 64.081 62.100 -0.020 0.000 1.151 114 T CB -0.464 68.452 68.868 0.079 0.000 0.862 114 T HN 0.588 nan 8.240 nan 0.000 0.438 115 N N 0.465 119.214 118.700 0.081 0.000 2.171 115 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 115 N C 2.126 177.761 175.510 0.208 0.000 1.021 115 N CA 1.038 54.168 53.050 0.133 0.000 0.854 115 N CB -0.208 38.368 38.487 0.147 0.000 0.994 115 N HN 0.393 nan 8.380 nan 0.000 0.426 116 M N -0.098 119.647 119.600 0.242 0.000 2.080 116 M HA -0.190 4.289 4.480 -0.000 0.000 0.260 116 M C 1.490 177.967 176.300 0.295 0.000 1.068 116 M CA 1.599 57.072 55.300 0.289 0.000 1.109 116 M CB -0.157 32.488 32.600 0.074 0.000 1.342 116 M HN 0.036 nan 8.290 nan 0.000 0.405 117 F N 0.600 120.554 119.950 0.006 0.000 2.146 117 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 117 F C 2.616 178.431 175.800 0.024 0.000 1.096 117 F CA 1.643 59.636 58.000 -0.011 0.000 1.275 117 F CB -1.711 37.270 39.000 -0.032 0.000 1.008 117 F HN 0.200 nan 8.300 nan 0.000 0.480 118 T N -0.714 113.979 114.554 0.231 0.000 2.737 118 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 118 T C 2.354 177.109 174.700 0.091 0.000 1.040 118 T CA 1.786 63.965 62.100 0.131 0.000 1.142 118 T CB -0.341 68.583 68.868 0.093 0.000 0.861 118 T HN 0.146 nan 8.240 nan 0.000 0.456 119 S N 0.578 116.333 115.700 0.092 0.000 2.325 119 S HA 0.153 4.623 4.470 -0.000 0.000 0.214 119 S C 2.056 176.690 174.600 0.057 0.000 1.031 119 S CA 0.586 58.804 58.200 0.030 0.000 0.972 119 S CB -0.248 62.911 63.200 -0.069 0.000 0.908 119 S HN 0.406 nan 8.310 nan 0.000 0.453 120 I N 0.766 121.367 120.570 0.052 0.000 2.394 120 I HA -0.043 4.127 4.170 -0.000 0.000 0.251 120 I C 1.382 177.693 176.117 0.323 0.000 1.136 120 I CA 0.987 62.350 61.300 0.105 0.000 1.425 120 I CB -0.014 37.971 38.000 -0.026 0.000 1.079 120 I HN 0.128 nan 8.210 nan 0.000 0.425 121 V N 0.245 120.282 119.914 0.205 0.000 3.346 121 V HA 0.237 4.357 4.120 -0.000 0.000 0.309 121 V C 1.829 177.973 176.094 0.083 0.000 1.457 121 V CA 0.569 62.981 62.300 0.187 0.000 1.069 121 V CB 0.602 32.339 31.823 -0.144 0.000 0.944 121 V HN 0.408 nan 8.190 nan 0.000 0.449 122 G N 1.032 109.890 108.800 0.098 0.000 2.414 122 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 122 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 122 G C 1.134 176.050 174.900 0.027 0.000 1.188 122 G CA 1.076 46.205 45.100 0.048 0.000 0.783 122 G HN 0.547 nan 8.290 nan 0.000 0.537 123 N N -0.490 118.216 118.700 0.010 0.000 2.211 123 N HA 0.009 4.749 4.740 -0.000 0.000 0.216 123 N C 2.159 177.574 175.510 -0.158 0.000 1.240 123 N CA 0.794 53.797 53.050 -0.077 0.000 0.895 123 N CB 0.569 38.962 38.487 -0.158 0.000 1.102 123 N HN 0.290 nan 8.380 nan 0.000 0.498 124 V N -1.227 118.634 119.914 -0.087 0.000 2.594 124 V HA -0.053 4.067 4.120 -0.000 0.000 0.253 124 V C 1.634 177.698 176.094 -0.050 0.000 1.069 124 V CA 1.263 63.453 62.300 -0.184 0.000 1.082 124 V CB -1.168 30.552 31.823 -0.172 0.000 0.680 124 V HN -0.081 nan 8.190 nan 0.000 0.469 125 F N 2.440 122.360 119.950 -0.049 0.000 2.641 125 F HA 0.306 4.833 4.527 0.000 0.000 0.298 125 F C 2.236 178.105 175.800 0.116 0.000 1.146 125 F CA 0.995 59.022 58.000 0.045 0.000 1.464 125 F CB -0.679 38.337 39.000 0.028 0.000 1.101 125 F HN 0.351 nan 8.300 nan 0.000 0.585 126 G N -1.694 107.206 108.800 0.167 0.000 3.277 126 G HA2 0.033 3.993 3.960 -0.000 0.000 0.243 126 G HA3 0.033 3.993 3.960 -0.000 0.000 0.243 126 G C 0.117 175.076 174.900 0.099 0.000 1.107 126 G CA -0.205 44.961 45.100 0.109 0.000 0.771 126 G HN -0.020 nan 8.290 nan 0.000 0.544 127 F N 1.789 121.754 119.950 0.024 0.000 2.602 127 F HA 0.154 4.681 4.527 0.000 0.000 0.385 127 F C 1.748 177.548 175.800 -0.000 0.000 1.063 127 F CA -0.195 57.801 58.000 -0.006 0.000 1.233 127 F CB 0.994 39.962 39.000 -0.055 0.000 1.067 127 F HN -0.000 nan 8.300 nan 0.000 0.564 128 K N 3.045 123.622 120.400 0.294 0.000 2.152 128 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 128 K C 1.926 178.569 176.600 0.072 0.000 1.048 128 K CA 1.322 57.689 56.287 0.134 0.000 0.933 128 K CB -0.108 32.449 32.500 0.095 0.000 0.721 128 K HN 0.694 nan 8.250 nan 0.000 0.447 129 A N 0.817 123.652 122.820 0.024 0.000 2.216 129 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 129 A C 0.689 178.231 177.584 -0.069 0.000 1.160 129 A CA 0.671 52.660 52.037 -0.080 0.000 0.725 129 A CB -0.198 18.666 19.000 -0.228 0.000 0.784 129 A HN 0.108 nan 8.150 nan 0.000 0.472 130 L N -1.705 119.517 121.223 -0.003 0.000 2.346 130 L HA 0.435 4.775 4.340 -0.000 0.000 0.274 130 L C 1.234 178.130 176.870 0.042 0.000 1.007 130 L CA -0.734 54.108 54.840 0.004 0.000 0.818 130 L CB 1.758 43.825 42.059 0.012 0.000 1.284 130 L HN 0.142 nan 8.230 nan 0.000 0.424 131 R N 1.273 121.796 120.500 0.037 0.000 2.100 131 R HA 0.318 4.658 4.340 -0.000 0.000 0.220 131 R C 0.135 176.487 176.300 0.087 0.000 1.091 131 R CA 0.801 56.928 56.100 0.047 0.000 0.986 131 R CB 0.405 30.726 30.300 0.034 0.000 0.888 131 R HN 0.748 nan 8.270 nan 0.000 0.444 132 A N 0.168 123.057 122.820 0.116 0.000 2.610 132 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 132 A C -2.057 175.602 177.584 0.123 0.000 1.086 132 A CA -0.612 51.575 52.037 0.250 0.000 0.677 132 A CB 1.715 20.846 19.000 0.217 0.000 1.278 132 A HN 0.044 nan 8.150 nan 0.000 0.414 133 L N 0.205 121.463 121.223 0.058 0.000 2.565 133 L HA 0.746 5.086 4.340 -0.000 0.000 0.261 133 L C -0.797 175.933 176.870 -0.234 0.000 0.932 133 L CA -0.064 54.618 54.840 -0.263 0.000 0.878 133 L CB 1.956 43.597 42.059 -0.697 0.000 1.333 133 L HN 0.852 nan 8.230 nan 0.000 0.409 134 R N 3.879 124.355 120.500 -0.040 0.000 2.575 134 R HA 0.624 4.964 4.340 -0.000 0.000 0.293 134 R C -1.846 174.539 176.300 0.141 0.000 0.983 134 R CA -0.906 55.271 56.100 0.127 0.000 0.887 134 R CB 1.799 32.154 30.300 0.092 0.000 1.184 134 R HN 0.658 nan 8.270 nan 0.000 0.445 135 L N 4.359 125.703 121.223 0.202 0.000 2.260 135 L HA 0.266 4.606 4.340 -0.000 0.000 0.289 135 L C 0.675 177.477 176.870 -0.114 0.000 1.057 135 L CA 0.481 55.270 54.840 -0.084 0.000 0.811 135 L CB 1.219 43.226 42.059 -0.086 0.000 1.184 135 L HN 0.712 nan 8.230 nan 0.000 0.429 136 E N 2.231 122.271 120.200 -0.267 0.000 2.166 136 E HA 0.104 4.454 4.350 -0.000 0.000 0.192 136 E C -0.255 176.166 176.600 -0.299 0.000 0.967 136 E CA 0.487 56.695 56.400 -0.319 0.000 0.840 136 E CB 0.470 29.727 29.700 -0.737 0.000 0.795 136 E HN 0.684 nan 8.360 nan 0.000 0.470 137 D N -1.107 119.122 120.400 -0.285 0.000 2.653 137 D HA 0.390 5.030 4.640 -0.000 0.000 0.258 137 D C -1.532 174.843 176.300 0.125 0.000 1.252 137 D CA -0.467 53.526 54.000 -0.012 0.000 0.777 137 D CB 1.402 42.252 40.800 0.083 0.000 1.339 137 D HN -0.154 nan 8.370 nan 0.000 0.422 138 L N 1.376 122.674 121.223 0.126 0.000 2.436 138 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 138 L C -0.299 176.470 176.870 -0.170 0.000 0.974 138 L CA -0.891 53.912 54.840 -0.062 0.000 0.826 138 L CB 2.248 44.256 42.059 -0.085 0.000 1.291 138 L HN 0.182 nan 8.230 nan 0.000 0.406 139 R N 4.206 124.383 120.500 -0.539 0.000 2.204 139 R HA 0.457 4.797 4.340 -0.000 0.000 0.341 139 R C -0.961 175.138 176.300 -0.335 0.000 1.035 139 R CA -0.473 55.347 56.100 -0.466 0.000 0.887 139 R CB 0.358 30.226 30.300 -0.720 0.000 1.114 139 R HN 0.570 nan 8.270 nan 0.000 0.473 140 I N 7.929 128.317 120.570 -0.303 0.000 2.337 140 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 140 I C -1.630 174.356 176.117 -0.218 0.000 1.046 140 I CA -1.905 59.240 61.300 -0.259 0.000 1.324 140 I CB 1.432 39.259 38.000 -0.288 0.000 1.409 140 I HN 0.302 nan 8.210 nan 0.000 0.494 141 P HA -0.051 nan 4.420 nan 0.000 0.268 141 P C 1.051 178.338 177.300 -0.021 0.000 1.205 141 P CA -0.087 62.975 63.100 -0.063 0.000 0.771 141 P CB 1.107 32.795 31.700 -0.021 0.000 0.858 142 V N 0.688 120.586 119.914 -0.028 0.000 2.720 142 V HA -0.187 3.932 4.120 -0.000 0.000 0.256 142 V C 2.162 178.289 176.094 0.055 0.000 1.082 142 V CA 1.910 64.210 62.300 0.001 0.000 1.101 142 V CB -1.992 29.834 31.823 0.006 0.000 0.693 142 V HN 0.523 nan 8.190 nan 0.000 0.479 143 A N -1.046 121.817 122.820 0.073 0.000 2.014 143 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 143 A C 2.095 179.784 177.584 0.175 0.000 1.163 143 A CA 1.626 53.723 52.037 0.100 0.000 0.652 143 A CB -0.676 18.378 19.000 0.090 0.000 0.808 143 A HN 0.693 nan 8.150 nan 0.000 0.449 144 Y N -0.158 120.169 120.300 0.045 0.000 2.347 144 Y HA 0.017 4.567 4.550 -0.000 0.000 0.294 144 Y C 2.278 178.314 175.900 0.227 0.000 1.117 144 Y CA 0.910 59.074 58.100 0.106 0.000 1.184 144 Y CB -0.146 38.340 38.460 0.043 0.000 1.047 144 Y HN 0.046 nan 8.280 nan 0.000 0.546 145 V N 0.765 120.765 119.914 0.142 0.000 2.332 145 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 145 V C 2.191 178.395 176.094 0.183 0.000 1.055 145 V CA 2.055 64.421 62.300 0.109 0.000 1.038 145 V CB -0.514 31.334 31.823 0.041 0.000 0.651 145 V HN 0.229 nan 8.190 nan 0.000 0.450 146 K N 0.601 121.069 120.400 0.113 0.000 2.519 146 K HA -0.079 4.241 4.320 -0.000 0.000 0.196 146 K C 1.953 178.565 176.600 0.018 0.000 1.041 146 K CA 1.462 57.793 56.287 0.073 0.000 0.954 146 K CB -0.750 31.781 32.500 0.051 0.000 0.774 146 K HN 0.770 nan 8.250 nan 0.000 0.480 147 T N -2.327 112.203 114.554 -0.039 0.000 3.129 147 T HA 0.143 4.493 4.350 -0.000 0.000 0.251 147 T C 0.436 174.877 174.700 -0.432 0.000 1.117 147 T CA -0.236 61.716 62.100 -0.246 0.000 1.034 147 T CB -0.214 68.430 68.868 -0.374 0.000 0.968 147 T HN -0.165 nan 8.240 nan 0.000 0.526 148 F N 1.022 120.884 119.950 -0.147 0.000 2.507 148 F HA 0.505 5.032 4.527 0.000 0.000 0.327 148 F C 1.503 177.268 175.800 -0.058 0.000 1.068 148 F CA -1.356 56.584 58.000 -0.102 0.000 0.965 148 F CB 2.022 40.952 39.000 -0.117 0.000 1.192 148 F HN -0.135 nan 8.300 nan 0.000 0.476 149 Q N 1.864 121.752 119.800 0.146 0.000 2.137 149 Q HA 0.241 4.580 4.340 -0.000 0.000 0.198 149 Q C 0.997 177.034 176.000 0.063 0.000 0.960 149 Q CA 1.150 56.981 55.803 0.047 0.000 0.847 149 Q CB -0.020 28.719 28.738 0.002 0.000 0.915 149 Q HN 1.006 nan 8.270 nan 0.000 0.448 150 G N 0.468 109.332 108.800 0.106 0.000 2.642 150 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.231 150 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.231 150 G C -2.555 172.328 174.900 -0.029 0.000 1.338 150 G CA -0.438 44.671 45.100 0.015 0.000 0.883 150 G HN 0.315 nan 8.290 nan 0.000 0.570 151 P HA 0.199 nan 4.420 nan 0.000 0.265 151 P C -1.732 175.498 177.300 -0.118 0.000 1.187 151 P CA -0.343 62.702 63.100 -0.092 0.000 0.766 151 P CB 0.420 32.061 31.700 -0.099 0.000 0.820 152 P HA -0.148 nan 4.420 nan 0.000 0.218 152 P C 0.429 177.268 177.300 -0.769 0.000 1.149 152 P CA 1.860 64.752 63.100 -0.346 0.000 0.817 152 P CB 0.129 31.707 31.700 -0.204 0.000 0.785 153 H N -3.652 115.399 119.070 -0.031 0.000 1.955 153 H HA 0.452 5.008 4.556 -0.000 0.000 0.196 153 H C 0.862 176.180 175.328 -0.015 0.000 0.891 153 H CA 0.730 56.765 56.048 -0.020 0.000 1.001 153 H CB -0.050 29.700 29.762 -0.019 0.000 1.195 153 H HN 0.055 nan 8.280 nan 0.000 0.384 154 G N 0.458 109.305 108.800 0.078 0.000 2.662 154 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 154 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 154 G C 0.634 175.574 174.900 0.067 0.000 1.271 154 G CA -0.197 44.924 45.100 0.034 0.000 0.816 154 G HN 0.253 nan 8.290 nan 0.000 0.608 155 I N 0.160 120.757 120.570 0.046 0.000 2.113 155 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 155 I C 2.912 179.077 176.117 0.080 0.000 1.064 155 I CA 2.535 63.872 61.300 0.061 0.000 1.320 155 I CB -0.242 37.783 38.000 0.043 0.000 1.028 155 I HN 0.770 nan 8.210 nan 0.000 0.406 156 Q N 0.980 120.827 119.800 0.078 0.000 2.020 156 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 156 Q C 2.390 178.455 176.000 0.109 0.000 0.982 156 Q CA 2.205 58.068 55.803 0.100 0.000 0.838 156 Q CB -0.018 28.770 28.738 0.083 0.000 0.899 156 Q HN 0.389 nan 8.270 nan 0.000 0.423 157 V N 1.356 121.331 119.914 0.101 0.000 2.343 157 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 157 V C 2.317 178.460 176.094 0.082 0.000 1.051 157 V CA 2.240 64.605 62.300 0.108 0.000 1.036 157 V CB -0.748 31.168 31.823 0.154 0.000 0.654 157 V HN 0.501 nan 8.190 nan 0.000 0.451 158 E N 0.344 120.595 120.200 0.086 0.000 2.051 158 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 158 E C 2.451 179.067 176.600 0.026 0.000 0.991 158 E CA 1.388 57.824 56.400 0.060 0.000 0.799 158 E CB -0.083 29.684 29.700 0.111 0.000 0.748 158 E HN 0.527 nan 8.360 nan 0.000 0.449 159 R N 0.347 120.855 120.500 0.013 0.000 2.096 159 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 159 R C 1.927 178.101 176.300 -0.210 0.000 1.127 159 R CA 1.402 57.418 56.100 -0.140 0.000 0.968 159 R CB -0.155 30.098 30.300 -0.078 0.000 0.861 159 R HN 0.270 nan 8.270 nan 0.000 0.440 160 D N 0.554 120.969 120.400 0.026 0.000 2.117 160 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 160 D C 1.810 178.130 176.300 0.034 0.000 0.982 160 D CA 1.042 55.107 54.000 0.109 0.000 0.828 160 D CB 0.012 40.900 40.800 0.146 0.000 0.967 160 D HN 0.012 nan 8.370 nan 0.000 0.464 161 K N 0.443 120.846 120.400 0.004 0.000 2.057 161 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 161 K C 2.206 178.793 176.600 -0.022 0.000 1.049 161 K CA 0.477 56.755 56.287 -0.014 0.000 0.931 161 K CB -0.312 32.156 32.500 -0.054 0.000 0.714 161 K HN 0.272 nan 8.250 nan 0.000 0.440 162 L N 0.232 121.427 121.223 -0.048 0.000 2.509 162 L HA 0.074 4.414 4.340 -0.000 0.000 0.222 162 L C 0.550 177.342 176.870 -0.130 0.000 1.123 162 L CA -0.021 54.781 54.840 -0.063 0.000 0.856 162 L CB -0.503 41.532 42.059 -0.040 0.000 0.985 162 L HN 0.394 nan 8.230 nan 0.000 0.456 163 N N 1.554 120.132 118.700 -0.203 0.000 2.756 163 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 163 N C -0.541 174.732 175.510 -0.395 0.000 1.062 163 N CA 0.391 53.302 53.050 -0.232 0.000 0.696 163 N CB -0.354 38.115 38.487 -0.031 0.000 0.946 163 N HN 0.379 nan 8.380 nan 0.000 0.548 164 K N 1.562 121.537 120.400 -0.708 0.000 2.463 164 K HA 0.421 4.741 4.320 -0.000 0.000 0.255 164 K C -1.500 174.691 176.600 -0.681 0.000 0.942 164 K CA -0.366 55.626 56.287 -0.490 0.000 0.814 164 K CB 1.154 33.491 32.500 -0.272 0.000 1.122 164 K HN 0.120 nan 8.250 nan 0.000 0.425 165 Y N -0.644 119.662 120.300 0.010 0.000 2.544 165 Y HA 0.407 4.957 4.550 -0.000 0.000 0.342 165 Y C 0.901 176.809 175.900 0.014 0.000 1.062 165 Y CA -0.775 57.334 58.100 0.015 0.000 1.023 165 Y CB 2.526 40.995 38.460 0.016 0.000 1.308 165 Y HN 0.755 nan 8.280 nan 0.000 0.457 166 G N 1.569 110.479 108.800 0.183 0.000 2.141 166 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.242 166 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.242 166 G C -0.245 174.700 174.900 0.075 0.000 0.982 166 G CA 0.206 45.372 45.100 0.110 0.000 0.662 166 G HN 0.957 nan 8.290 nan 0.000 0.527 167 R N -1.875 118.664 120.500 0.065 0.000 2.753 167 R HA 0.567 4.907 4.340 -0.000 0.000 0.272 167 R C -3.532 172.791 176.300 0.039 0.000 1.034 167 R CA -1.647 54.483 56.100 0.050 0.000 0.869 167 R CB 0.352 30.674 30.300 0.037 0.000 1.264 167 R HN 0.028 nan 8.270 nan 0.000 0.481 168 P HA 0.133 nan 4.420 nan 0.000 0.272 168 P C -0.545 176.763 177.300 0.013 0.000 1.230 168 P CA -0.335 62.785 63.100 0.032 0.000 0.788 168 P CB 0.505 32.235 31.700 0.050 0.000 0.949 169 L N 1.617 122.842 121.223 0.003 0.000 2.399 169 L HA 0.387 4.727 4.340 -0.000 0.000 0.266 169 L C 0.193 177.077 176.870 0.023 0.000 1.114 169 L CA -0.588 54.243 54.840 -0.015 0.000 0.804 169 L CB 0.217 42.299 42.059 0.040 0.000 1.146 169 L HN 0.170 nan 8.230 nan 0.000 0.451 170 L N 1.306 122.521 121.223 -0.015 0.000 2.322 170 L HA 0.680 5.020 4.340 -0.000 0.000 0.281 170 L C 0.323 177.249 176.870 0.094 0.000 1.014 170 L CA -0.260 54.621 54.840 0.069 0.000 0.815 170 L CB 1.745 43.835 42.059 0.052 0.000 1.247 170 L HN 0.699 nan 8.230 nan 0.000 0.421 171 G N 0.789 109.676 108.800 0.147 0.000 3.042 171 G HA2 0.640 4.600 3.960 -0.000 0.000 0.278 171 G HA3 0.640 4.600 3.960 -0.000 0.000 0.278 171 G C -1.804 173.121 174.900 0.041 0.000 1.371 171 G CA -0.516 44.647 45.100 0.105 0.000 1.009 171 G HN 0.689 nan 8.290 nan 0.000 0.523 172 C N -0.018 119.245 119.300 -0.061 0.000 3.050 172 C HA 0.617 5.077 4.460 -0.000 0.000 0.416 172 C C -0.275 174.650 174.990 -0.108 0.000 0.994 172 C CA -0.509 58.485 59.018 -0.039 0.000 1.222 172 C CB 0.310 28.055 27.740 0.008 0.000 1.612 172 C HN 0.809 nan 8.230 nan 0.000 0.550 173 T N 7.167 121.673 114.554 -0.080 0.000 2.794 173 T HA 0.382 4.731 4.350 -0.000 0.000 0.296 173 T C 0.559 175.222 174.700 -0.062 0.000 0.949 173 T CA -0.174 61.879 62.100 -0.077 0.000 1.101 173 T CB 0.293 69.138 68.868 -0.038 0.000 0.905 173 T HN 0.579 nan 8.240 nan 0.000 0.516 174 I N 4.206 124.723 120.570 -0.089 0.000 2.648 174 I HA 0.204 4.374 4.170 -0.000 0.000 0.284 174 I C 0.684 176.742 176.117 -0.099 0.000 1.153 174 I CA 0.080 61.266 61.300 -0.190 0.000 1.426 174 I CB 0.044 37.691 38.000 -0.589 0.000 1.381 174 I HN 0.425 nan 8.210 nan 0.000 0.571 175 K N 6.741 127.093 120.400 -0.081 0.000 2.395 175 K HA 0.577 4.897 4.320 -0.000 0.000 0.247 175 K C -2.390 174.196 176.600 -0.023 0.000 0.973 175 K CA -1.679 54.596 56.287 -0.020 0.000 0.828 175 K CB 1.550 34.053 32.500 0.005 0.000 1.272 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 P HA 0.131 nan 4.420 nan 0.000 0.270 176 P C 0.284 177.594 177.300 0.016 0.000 1.223 176 P CA -0.168 62.931 63.100 -0.002 0.000 0.785 176 P CB 0.859 32.544 31.700 -0.026 0.000 0.923 177 K N 0.311 120.719 120.400 0.012 0.000 2.034 177 K HA -0.092 4.228 4.320 -0.000 0.000 0.214 177 K C 0.833 177.464 176.600 0.052 0.000 1.051 177 K CA 1.302 57.612 56.287 0.038 0.000 0.931 177 K CB -0.340 32.169 32.500 0.014 0.000 0.715 177 K HN 0.404 nan 8.250 nan 0.000 0.446 178 L N -1.976 119.207 121.223 -0.067 0.000 2.309 178 L HA 0.403 4.743 4.340 -0.000 0.000 0.261 178 L C 0.868 177.385 176.870 -0.588 0.000 1.021 178 L CA -0.276 54.389 54.840 -0.293 0.000 0.823 178 L CB 2.161 44.075 42.059 -0.240 0.000 1.366 178 L HN 0.500 nan 8.230 nan 0.000 0.423 179 G N 0.877 108.815 108.800 -1.436 0.000 2.259 179 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 179 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 179 G C -0.076 174.638 174.900 -0.310 0.000 1.001 179 G CA -0.497 44.062 45.100 -0.901 0.000 0.627 179 G HN 0.317 nan 8.290 nan 0.000 0.501 180 L N 2.337 123.536 121.223 -0.040 0.000 2.417 180 L HA 0.539 4.879 4.340 -0.000 0.000 0.268 180 L C 1.525 178.588 176.870 0.322 0.000 1.158 180 L CA 0.064 55.015 54.840 0.186 0.000 0.819 180 L CB 1.310 43.552 42.059 0.305 0.000 1.112 180 L HN 0.499 nan 8.230 nan 0.000 0.458 181 S N 1.317 117.151 115.700 0.222 0.000 2.645 181 S HA 0.362 4.832 4.470 -0.000 0.000 0.266 181 S C 0.957 175.654 174.600 0.162 0.000 1.258 181 S CA -0.195 58.114 58.200 0.181 0.000 0.990 181 S CB 1.538 64.788 63.200 0.084 0.000 0.967 181 S HN 0.690 nan 8.310 nan 0.000 0.556 182 A N 1.035 123.918 122.820 0.106 0.000 1.877 182 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 182 A C 2.164 179.700 177.584 -0.080 0.000 1.186 182 A CA 1.699 53.815 52.037 0.131 0.000 0.620 182 A CB -0.920 18.258 19.000 0.297 0.000 0.822 182 A HN 0.900 nan 8.150 nan 0.000 0.443 183 K N -0.331 119.786 120.400 -0.472 0.000 2.097 183 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 183 K C 1.718 178.160 176.600 -0.264 0.000 1.050 183 K CA 1.565 57.370 56.287 -0.803 0.000 0.938 183 K CB -0.269 31.749 32.500 -0.804 0.000 0.718 183 K HN 0.648 nan 8.250 nan 0.000 0.442 184 N N -0.779 117.870 118.700 -0.086 0.000 2.244 184 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 184 N C 1.537 177.088 175.510 0.067 0.000 1.016 184 N CA 0.682 53.733 53.050 0.002 0.000 0.866 184 N CB -0.063 38.445 38.487 0.034 0.000 0.980 184 N HN 0.157 nan 8.380 nan 0.000 0.430 185 Y N 1.215 121.511 120.300 -0.006 0.000 2.145 185 Y HA -0.118 4.432 4.550 0.000 0.000 0.286 185 Y C 2.491 178.397 175.900 0.010 0.000 1.145 185 Y CA 1.700 59.820 58.100 0.034 0.000 1.148 185 Y CB -0.660 37.848 38.460 0.080 0.000 0.981 185 Y HN 0.016 nan 8.280 nan 0.000 0.507 186 G N -0.452 108.452 108.800 0.173 0.000 2.418 186 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 186 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 186 G C 1.736 176.694 174.900 0.097 0.000 1.158 186 G CA 0.922 46.095 45.100 0.122 0.000 0.771 186 G HN 0.370 nan 8.290 nan 0.000 0.545 187 R N 0.701 121.237 120.500 0.059 0.000 2.080 187 R HA -0.029 4.311 4.340 -0.000 0.000 0.236 187 R C 2.764 179.115 176.300 0.084 0.000 1.137 187 R CA 1.850 58.001 56.100 0.085 0.000 0.943 187 R CB -0.560 29.759 30.300 0.031 0.000 0.846 187 R HN 0.248 nan 8.270 nan 0.000 0.431 188 A N 0.467 123.293 122.820 0.011 0.000 1.902 188 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 188 A C 2.342 179.905 177.584 -0.035 0.000 1.181 188 A CA 1.631 53.646 52.037 -0.038 0.000 0.623 188 A CB -0.568 18.361 19.000 -0.118 0.000 0.818 188 A HN 0.260 nan 8.150 nan 0.000 0.443 189 V N -1.180 118.724 119.914 -0.017 0.000 2.343 189 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 189 V C 2.380 178.509 176.094 0.059 0.000 1.051 189 V CA 2.156 64.469 62.300 0.022 0.000 1.036 189 V CB -0.964 30.862 31.823 0.005 0.000 0.654 189 V HN 0.766 nan 8.190 nan 0.000 0.451 190 Y N 1.349 121.648 120.300 -0.002 0.000 2.163 190 Y HA -0.173 4.377 4.550 0.000 0.000 0.288 190 Y C 2.540 178.444 175.900 0.007 0.000 1.136 190 Y CA 1.802 59.908 58.100 0.010 0.000 1.147 190 Y CB -0.306 38.167 38.460 0.021 0.000 0.987 190 Y HN 0.251 nan 8.280 nan 0.000 0.509 191 E N -0.142 119.861 120.200 -0.330 0.000 2.077 191 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 191 E C 2.494 178.937 176.600 -0.261 0.000 0.989 191 E CA 1.465 57.634 56.400 -0.385 0.000 0.800 191 E CB -1.001 28.610 29.700 -0.149 0.000 0.746 191 E HN 0.552 nan 8.360 nan 0.000 0.452 192 C N 0.848 120.059 119.300 -0.148 0.000 2.413 192 C HA -0.119 4.341 4.460 -0.000 0.000 0.278 192 C C 2.932 177.856 174.990 -0.110 0.000 1.224 192 C CA 0.533 59.490 59.018 -0.101 0.000 1.732 192 C CB -1.256 26.452 27.740 -0.053 0.000 2.050 192 C HN 0.367 nan 8.230 nan 0.000 0.463 193 L N 1.246 122.412 121.223 -0.095 0.000 2.042 193 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 193 L C 2.893 179.702 176.870 -0.101 0.000 1.076 193 L CA 2.004 56.802 54.840 -0.071 0.000 0.749 193 L CB -0.790 41.264 42.059 -0.009 0.000 0.893 193 L HN 0.494 nan 8.230 nan 0.000 0.432 194 R N 0.523 120.907 120.500 -0.192 0.000 2.241 194 R HA -0.080 4.260 4.340 -0.000 0.000 0.224 194 R C 1.915 178.139 176.300 -0.127 0.000 1.101 194 R CA 1.292 57.287 56.100 -0.175 0.000 0.995 194 R CB -0.751 29.336 30.300 -0.354 0.000 0.870 194 R HN 0.284 nan 8.270 nan 0.000 0.463 195 G N -0.525 108.194 108.800 -0.136 0.000 2.712 195 G HA2 0.218 4.178 3.960 -0.000 0.000 0.212 195 G HA3 0.218 4.178 3.960 -0.000 0.000 0.212 195 G C 0.945 175.799 174.900 -0.077 0.000 1.142 195 G CA 0.330 45.369 45.100 -0.102 0.000 0.789 195 G HN 0.593 nan 8.290 nan 0.000 0.535 196 G N -0.894 107.862 108.800 -0.073 0.000 2.273 196 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.162 196 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.162 196 G C 0.293 175.149 174.900 -0.074 0.000 1.006 196 G CA -0.285 44.778 45.100 -0.063 0.000 0.704 196 G HN 0.324 nan 8.290 nan 0.000 0.487 197 L N 1.236 122.413 121.223 -0.076 0.000 2.436 197 L HA 0.363 4.702 4.340 -0.000 0.000 0.265 197 L C 1.036 177.827 176.870 -0.132 0.000 1.168 197 L CA -0.540 54.255 54.840 -0.076 0.000 0.815 197 L CB 0.573 42.607 42.059 -0.041 0.000 1.109 197 L HN 0.003 nan 8.230 nan 0.000 0.462 198 D N 1.028 121.285 120.400 -0.238 0.000 2.240 198 D HA 0.077 4.717 4.640 -0.000 0.000 0.206 198 D C -0.106 175.886 176.300 -0.513 0.000 0.963 198 D CA 1.337 55.049 54.000 -0.480 0.000 0.863 198 D CB 0.386 40.704 40.800 -0.803 0.000 0.973 198 D HN 0.136 nan 8.370 nan 0.000 0.501 199 F N -0.091 119.842 119.950 -0.028 0.000 2.620 199 F HA 0.387 4.914 4.527 -0.000 0.000 0.320 199 F C 0.487 176.161 175.800 -0.210 0.000 1.069 199 F CA -1.087 56.850 58.000 -0.105 0.000 0.953 199 F CB 1.587 40.509 39.000 -0.129 0.000 1.322 199 F HN -0.363 nan 8.300 nan 0.000 0.479 200 T N -1.284 113.216 114.554 -0.091 0.000 2.887 200 T HA 0.848 5.198 4.350 -0.000 0.000 0.292 200 T C -1.261 173.022 174.700 -0.694 0.000 1.087 200 T CA -1.068 60.916 62.100 -0.193 0.000 1.009 200 T CB 2.761 71.681 68.868 0.088 0.000 1.203 200 T HN 0.819 nan 8.240 nan 0.000 0.518 201 K N -0.174 119.840 120.400 -0.643 0.000 2.556 201 K HA 0.604 4.924 4.320 -0.000 0.000 0.274 201 K C -1.894 174.560 176.600 -0.244 0.000 0.966 201 K CA -0.977 54.812 56.287 -0.829 0.000 0.865 201 K CB 1.350 33.303 32.500 -0.912 0.000 1.444 201 K HN 0.349 nan 8.250 nan 0.000 0.433 202 D N 1.563 121.924 120.400 -0.066 0.000 2.382 202 D HA 0.030 4.670 4.640 -0.000 0.000 0.245 202 D C -0.573 175.811 176.300 0.140 0.000 1.120 202 D CA 0.293 54.453 54.000 0.268 0.000 0.890 202 D CB 0.801 41.733 40.800 0.221 0.000 1.201 202 D HN 0.458 nan 8.370 nan 0.000 0.433 203 D N 1.222 121.740 120.400 0.196 0.000 2.382 203 D HA -0.076 4.564 4.640 -0.000 0.000 0.240 203 D C 1.376 177.675 176.300 -0.002 0.000 1.146 203 D CA -0.193 53.841 54.000 0.056 0.000 0.897 203 D CB 0.944 41.795 40.800 0.085 0.000 1.197 203 D HN 0.428 nan 8.370 nan 0.000 0.432 204 E N 2.778 122.878 120.200 -0.167 0.000 2.219 204 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 204 E C 0.690 177.256 176.600 -0.057 0.000 0.998 204 E CA 1.204 57.486 56.400 -0.196 0.000 0.818 204 E CB -0.392 28.988 29.700 -0.534 0.000 0.741 204 E HN 0.506 nan 8.360 nan 0.000 0.477 205 N N 0.816 119.507 118.700 -0.014 0.000 2.336 205 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 205 N C 0.099 175.671 175.510 0.102 0.000 1.113 205 N CA -0.093 52.980 53.050 0.038 0.000 0.858 205 N CB 0.176 38.686 38.487 0.038 0.000 0.970 205 N HN -0.055 nan 8.380 nan 0.000 0.471 206 V N 1.825 121.812 119.914 0.123 0.000 2.387 206 V HA 0.177 4.297 4.120 -0.000 0.000 0.260 206 V C 0.234 176.397 176.094 0.116 0.000 1.054 206 V CA -0.116 62.281 62.300 0.163 0.000 0.967 206 V CB -0.380 31.548 31.823 0.176 0.000 1.036 206 V HN 0.319 nan 8.190 nan 0.000 0.481 207 N N 2.619 121.370 118.700 0.085 0.000 3.039 207 N HA 0.251 4.991 4.740 -0.000 0.000 0.188 207 N C -0.207 175.342 175.510 0.066 0.000 1.310 207 N CA -0.358 52.730 53.050 0.064 0.000 1.111 207 N CB 0.594 39.093 38.487 0.019 0.000 1.311 207 N HN 0.495 nan 8.380 nan 0.000 0.490 208 S N 0.090 115.800 115.700 0.017 0.000 2.619 208 S HA 0.487 4.957 4.470 -0.000 0.000 0.280 208 S C -1.767 172.759 174.600 -0.123 0.000 1.150 208 S CA -0.405 57.804 58.200 0.016 0.000 0.978 208 S CB 1.339 64.649 63.200 0.182 0.000 1.041 208 S HN 0.259 nan 8.310 nan 0.000 0.485 209 Q N 3.029 122.634 119.800 -0.325 0.000 2.565 209 Q HA 0.443 4.783 4.340 -0.000 0.000 0.294 209 Q C -2.185 173.522 176.000 -0.487 0.000 1.005 209 Q CA -1.650 53.881 55.803 -0.454 0.000 0.771 209 Q CB 1.623 29.908 28.738 -0.754 0.000 1.486 209 Q HN 0.250 nan 8.270 nan 0.000 0.422 210 P HA -0.184 nan 4.420 nan 0.000 0.217 210 P C 0.515 177.739 177.300 -0.126 0.000 1.148 210 P CA 1.384 64.401 63.100 -0.138 0.000 0.828 210 P CB 0.065 31.758 31.700 -0.012 0.000 0.783 211 F N -2.625 117.339 119.950 0.023 0.000 2.558 211 F HA 0.306 4.833 4.527 0.000 0.000 0.298 211 F C 0.889 176.706 175.800 0.027 0.000 1.119 211 F CA 0.012 58.028 58.000 0.026 0.000 1.451 211 F CB -0.533 38.487 39.000 0.034 0.000 1.091 211 F HN -0.182 nan 8.300 nan 0.000 0.563 212 M N 1.244 120.592 119.600 -0.421 0.000 2.355 212 M HA 0.327 4.807 4.480 -0.000 0.000 0.232 212 M C -1.561 174.592 176.300 -0.244 0.000 0.988 212 M CA -0.523 54.670 55.300 -0.179 0.000 0.931 212 M CB 1.055 33.661 32.600 0.009 0.000 2.294 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 R N 3.888 124.298 120.500 -0.150 0.000 2.459 213 R HA 0.277 4.617 4.340 -0.000 0.000 0.281 213 R C 1.066 177.293 176.300 -0.121 0.000 1.050 213 R CA -0.209 55.798 56.100 -0.155 0.000 1.055 213 R CB 0.629 30.805 30.300 -0.207 0.000 1.045 213 R HN 0.970 nan 8.270 nan 0.000 0.495 214 W N 4.412 125.608 121.300 -0.173 0.000 2.338 214 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 214 W C 1.190 177.539 176.519 -0.283 0.000 1.212 214 W CA 0.798 58.016 57.345 -0.212 0.000 1.264 214 W CB -0.494 28.756 29.460 -0.350 0.000 1.142 214 W HN 0.586 nan 8.180 nan 0.000 0.512 215 R N 1.061 120.764 120.500 -1.329 0.000 2.081 215 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 215 R C 1.918 178.014 176.300 -0.340 0.000 1.131 215 R CA 2.203 57.597 56.100 -1.177 0.000 0.960 215 R CB -0.469 28.836 30.300 -1.659 0.000 0.856 215 R HN -0.016 nan 8.270 nan 0.000 0.436 216 D N -0.146 120.088 120.400 -0.276 0.000 2.123 216 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 216 D C 1.884 178.301 176.300 0.195 0.000 0.992 216 D CA 1.111 55.085 54.000 -0.043 0.000 0.833 216 D CB -0.195 40.631 40.800 0.043 0.000 0.954 216 D HN 0.287 nan 8.370 nan 0.000 0.455 217 R N -0.318 120.319 120.500 0.228 0.000 2.066 217 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 217 R C 2.260 178.820 176.300 0.433 0.000 1.131 217 R CA 0.865 57.160 56.100 0.325 0.000 0.955 217 R CB -0.318 30.111 30.300 0.216 0.000 0.851 217 R HN 0.008 nan 8.270 nan 0.000 0.432 218 F N 1.305 121.384 119.950 0.216 0.000 2.091 218 F HA -0.232 4.295 4.527 0.000 0.000 0.299 218 F C 2.276 178.165 175.800 0.147 0.000 1.103 218 F CA 1.208 59.353 58.000 0.243 0.000 1.228 218 F CB -0.939 38.340 39.000 0.465 0.000 0.984 218 F HN 0.088 nan 8.300 nan 0.000 0.477 219 L N -1.420 120.028 121.223 0.374 0.000 1.994 219 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 219 L C 2.383 179.263 176.870 0.017 0.000 1.071 219 L CA 1.539 56.459 54.840 0.133 0.000 0.745 219 L CB -0.518 41.528 42.059 -0.021 0.000 0.892 219 L HN -0.031 nan 8.230 nan 0.000 0.431 220 F N -0.857 119.166 119.950 0.122 0.000 2.186 220 F HA -0.190 4.337 4.527 0.000 0.000 0.299 220 F C 2.610 178.435 175.800 0.040 0.000 1.090 220 F CA 1.165 59.212 58.000 0.078 0.000 1.307 220 F CB -1.097 37.952 39.000 0.082 0.000 1.019 220 F HN 0.198 nan 8.300 nan 0.000 0.489 221 C N -0.342 119.070 119.300 0.187 0.000 2.435 221 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 221 C C 3.095 178.047 174.990 -0.062 0.000 1.321 221 C CA 0.923 59.923 59.018 -0.030 0.000 1.752 221 C CB -1.548 26.027 27.740 -0.275 0.000 1.959 221 C HN 0.496 nan 8.230 nan 0.000 0.500 222 A N 0.258 123.058 122.820 -0.034 0.000 1.898 222 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 222 A C 2.166 179.745 177.584 -0.008 0.000 1.181 222 A CA 1.781 53.741 52.037 -0.128 0.000 0.620 222 A CB -0.664 18.325 19.000 -0.018 0.000 0.819 222 A HN 0.698 nan 8.150 nan 0.000 0.442 223 E N 0.016 120.284 120.200 0.113 0.000 2.077 223 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 223 E C 2.148 178.818 176.600 0.117 0.000 0.989 223 E CA 1.130 57.625 56.400 0.158 0.000 0.800 223 E CB -0.256 29.532 29.700 0.147 0.000 0.746 223 E HN 0.521 nan 8.360 nan 0.000 0.452 224 A N 1.359 124.237 122.820 0.097 0.000 1.877 224 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 224 A C 2.244 179.908 177.584 0.133 0.000 1.186 224 A CA 1.755 53.861 52.037 0.115 0.000 0.620 224 A CB -0.833 18.250 19.000 0.138 0.000 0.822 224 A HN 0.414 nan 8.150 nan 0.000 0.443 225 L N -3.101 118.133 121.223 0.019 0.000 2.093 225 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 225 L C 2.206 179.080 176.870 0.007 0.000 1.085 225 L CA 1.858 56.687 54.840 -0.018 0.000 0.755 225 L CB -1.198 40.788 42.059 -0.121 0.000 0.904 225 L HN 0.267 nan 8.230 nan 0.000 0.435 226 Y N 0.615 120.961 120.300 0.077 0.000 2.352 226 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 226 Y C 2.735 178.669 175.900 0.058 0.000 1.136 226 Y CA 1.372 59.505 58.100 0.055 0.000 1.227 226 Y CB -0.557 37.922 38.460 0.031 0.000 0.991 226 Y HN 0.345 nan 8.280 nan 0.000 0.545 227 K N 0.043 120.566 120.400 0.204 0.000 2.062 227 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 227 K C 2.266 179.008 176.600 0.237 0.000 1.051 227 K CA 0.990 57.352 56.287 0.124 0.000 0.941 227 K CB -0.162 32.285 32.500 -0.089 0.000 0.719 227 K HN 0.191 nan 8.250 nan 0.000 0.440 228 A N 1.126 124.146 122.820 0.333 0.000 1.930 228 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 228 A C 2.065 179.741 177.584 0.154 0.000 1.175 228 A CA 1.489 53.695 52.037 0.282 0.000 0.627 228 A CB -0.549 18.561 19.000 0.184 0.000 0.815 228 A HN 0.538 nan 8.150 nan 0.000 0.443 229 Q N -0.537 119.349 119.800 0.143 0.000 2.084 229 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 229 Q C 2.126 178.189 176.000 0.104 0.000 0.978 229 Q CA 1.517 57.388 55.803 0.113 0.000 0.844 229 Q CB -0.315 28.510 28.738 0.146 0.000 0.898 229 Q HN 0.602 nan 8.270 nan 0.000 0.426 230 A N 0.531 123.423 122.820 0.120 0.000 1.968 230 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 230 A C 1.845 179.476 177.584 0.078 0.000 1.169 230 A CA 1.449 53.538 52.037 0.087 0.000 0.638 230 A CB -0.501 18.545 19.000 0.078 0.000 0.812 230 A HN 0.598 nan 8.150 nan 0.000 0.446 231 E N -0.268 119.995 120.200 0.104 0.000 2.072 231 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 231 E C 2.015 178.655 176.600 0.067 0.000 0.982 231 E CA 1.708 58.167 56.400 0.098 0.000 0.803 231 E CB -0.042 29.753 29.700 0.158 0.000 0.755 231 E HN 0.716 nan 8.360 nan 0.000 0.453 232 T N -3.869 110.721 114.554 0.059 0.000 3.044 232 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 232 T C 1.537 176.253 174.700 0.026 0.000 1.073 232 T CA 0.678 62.797 62.100 0.032 0.000 1.125 232 T CB 0.502 69.380 68.868 0.016 0.000 0.908 232 T HN 0.319 nan 8.240 nan 0.000 0.480 233 G N 1.090 109.910 108.800 0.033 0.000 2.141 233 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.242 233 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.242 233 G C -0.309 174.602 174.900 0.018 0.000 0.982 233 G CA 0.065 45.181 45.100 0.027 0.000 0.662 233 G HN 0.671 nan 8.290 nan 0.000 0.527 234 E N -0.419 119.788 120.200 0.013 0.000 2.238 234 E HA 0.569 4.919 4.350 -0.000 0.000 0.267 234 E C 0.344 176.943 176.600 -0.003 0.000 0.887 234 E CA -1.090 55.306 56.400 -0.007 0.000 0.769 234 E CB 1.840 31.522 29.700 -0.031 0.000 1.187 234 E HN 0.289 nan 8.360 nan 0.000 0.416 235 I N 3.147 123.710 120.570 -0.012 0.000 2.710 235 I HA -0.014 4.156 4.170 -0.000 0.000 0.286 235 I C 0.370 176.472 176.117 -0.024 0.000 1.181 235 I CA 0.501 61.804 61.300 0.005 0.000 1.430 235 I CB 0.072 38.074 38.000 0.003 0.000 1.367 235 I HN 0.182 nan 8.210 nan 0.000 0.577 236 K N 4.445 124.854 120.400 0.015 0.000 2.340 236 K HA 0.794 5.114 4.320 -0.000 0.000 0.244 236 K C -0.282 176.370 176.600 0.085 0.000 0.973 236 K CA -0.728 55.566 56.287 0.011 0.000 0.828 236 K CB 2.250 34.764 32.500 0.023 0.000 1.226 236 K HN 0.790 nan 8.250 nan 0.000 0.437 237 G N 0.214 109.133 108.800 0.199 0.000 2.704 237 G HA2 0.384 4.344 3.960 -0.000 0.000 0.293 237 G HA3 0.384 4.344 3.960 -0.000 0.000 0.293 237 G C -1.911 173.174 174.900 0.309 0.000 1.421 237 G CA -0.288 44.990 45.100 0.296 0.000 0.870 237 G HN 0.554 nan 8.290 nan 0.000 0.492 238 H N 0.827 119.959 119.070 0.104 0.000 2.840 238 H HA 0.319 4.875 4.556 -0.000 0.000 0.340 238 H C -1.076 174.282 175.328 0.050 0.000 1.004 238 H CA -0.573 55.483 56.048 0.012 0.000 1.288 238 H CB 1.272 31.020 29.762 -0.023 0.000 1.607 238 H HN 0.358 nan 8.280 nan 0.000 0.522 239 Y N 5.617 125.594 120.300 -0.538 0.000 2.697 239 Y HA 0.086 4.636 4.550 -0.000 0.000 0.349 239 Y C 0.666 176.394 175.900 -0.286 0.000 1.120 239 Y CA -0.528 57.344 58.100 -0.380 0.000 1.468 239 Y CB -0.530 37.695 38.460 -0.391 0.000 1.182 239 Y HN 0.356 nan 8.280 nan 0.000 0.525 240 L N 4.062 125.247 121.223 -0.064 0.000 2.313 240 L HA 0.206 4.546 4.340 -0.000 0.000 0.282 240 L C 0.694 177.522 176.870 -0.070 0.000 1.092 240 L CA -0.071 54.609 54.840 -0.267 0.000 0.831 240 L CB 0.461 41.957 42.059 -0.937 0.000 1.159 240 L HN 0.616 nan 8.230 nan 0.000 0.442 241 N N 1.997 120.768 118.700 0.119 0.000 2.420 241 N HA 0.203 4.943 4.740 -0.000 0.000 0.262 241 N C 0.537 176.205 175.510 0.263 0.000 1.144 241 N CA -0.109 53.057 53.050 0.194 0.000 0.952 241 N CB 1.094 39.689 38.487 0.181 0.000 1.081 241 N HN 0.779 nan 8.380 nan 0.000 0.480 242 A N 2.777 125.702 122.820 0.175 0.000 2.308 242 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 242 A C 0.639 178.253 177.584 0.050 0.000 1.216 242 A CA -0.083 51.999 52.037 0.075 0.000 0.864 242 A CB 0.072 19.085 19.000 0.022 0.000 0.902 242 A HN 0.596 nan 8.150 nan 0.000 0.499 243 T N 1.748 116.394 114.554 0.153 0.000 2.908 243 T HA 0.445 4.795 4.350 -0.000 0.000 0.301 243 T C 0.276 174.985 174.700 0.015 0.000 1.019 243 T CA 0.952 63.144 62.100 0.154 0.000 1.152 243 T CB 0.720 69.613 68.868 0.042 0.000 0.966 243 T HN 0.757 nan 8.240 nan 0.000 0.540 244 A N 2.291 125.113 122.820 0.004 0.000 2.529 244 A HA 0.807 5.127 4.320 -0.000 0.000 0.296 244 A C 1.292 178.855 177.584 -0.035 0.000 1.205 244 A CA -0.257 51.745 52.037 -0.060 0.000 0.671 244 A CB 0.458 19.374 19.000 -0.141 0.000 1.301 244 A HN 0.759 nan 8.150 nan 0.000 0.450 245 G N -0.885 107.889 108.800 -0.045 0.000 2.464 245 G HA2 0.360 4.320 3.960 -0.000 0.000 0.217 245 G HA3 0.360 4.320 3.960 -0.000 0.000 0.217 245 G C 0.667 175.550 174.900 -0.028 0.000 1.138 245 G CA 1.782 46.864 45.100 -0.030 0.000 0.793 245 G HN 1.604 nan 8.290 nan 0.000 0.539 246 T N -4.188 110.341 114.554 -0.040 0.000 2.883 246 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 246 T C 0.926 175.593 174.700 -0.055 0.000 1.117 246 T CA -0.240 61.837 62.100 -0.039 0.000 1.006 246 T CB 1.397 70.242 68.868 -0.038 0.000 1.191 246 T HN -0.077 nan 8.240 nan 0.000 0.508 247 C N 0.585 119.854 119.300 -0.051 0.000 2.425 247 C HA -0.011 4.449 4.460 -0.000 0.000 0.277 247 C C 2.623 177.557 174.990 -0.094 0.000 1.280 247 C CA 0.838 59.812 59.018 -0.073 0.000 1.744 247 C CB -1.370 26.336 27.740 -0.057 0.000 1.989 247 C HN 1.020 nan 8.230 nan 0.000 0.491 248 E N 1.427 121.582 120.200 -0.075 0.000 2.038 248 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 248 E C 1.675 178.212 176.600 -0.106 0.000 1.000 248 E CA 1.553 57.907 56.400 -0.077 0.000 0.803 248 E CB -0.328 29.342 29.700 -0.049 0.000 0.750 248 E HN 0.535 nan 8.360 nan 0.000 0.448 249 D N -0.207 120.126 120.400 -0.110 0.000 2.117 249 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 249 D C 1.837 177.982 176.300 -0.259 0.000 0.987 249 D CA 0.836 54.739 54.000 -0.162 0.000 0.829 249 D CB -0.222 40.494 40.800 -0.141 0.000 0.961 249 D HN 0.147 nan 8.370 nan 0.000 0.460 250 M N -0.364 119.111 119.600 -0.208 0.000 2.080 250 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 250 M C 1.734 177.871 176.300 -0.271 0.000 1.068 250 M CA 1.316 56.481 55.300 -0.226 0.000 1.109 250 M CB 0.024 32.521 32.600 -0.171 0.000 1.342 250 M HN -0.070 nan 8.290 nan 0.000 0.405 251 M N 0.317 119.766 119.600 -0.252 0.000 2.159 251 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 251 M C 1.908 178.046 176.300 -0.270 0.000 1.063 251 M CA 1.683 56.797 55.300 -0.310 0.000 1.110 251 M CB -1.123 31.326 32.600 -0.253 0.000 1.374 251 M HN 0.313 nan 8.290 nan 0.000 0.411 252 K N -0.204 120.073 120.400 -0.205 0.000 2.103 252 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 252 K C 2.116 178.629 176.600 -0.145 0.000 1.048 252 K CA 1.211 57.432 56.287 -0.110 0.000 0.930 252 K CB -0.121 32.350 32.500 -0.048 0.000 0.716 252 K HN 0.378 nan 8.250 nan 0.000 0.444 253 R N 0.270 120.492 120.500 -0.463 0.000 2.075 253 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 253 R C 2.431 178.776 176.300 0.075 0.000 1.126 253 R CA 1.114 56.899 56.100 -0.524 0.000 0.963 253 R CB -0.343 29.488 30.300 -0.782 0.000 0.858 253 R HN 0.156 nan 8.270 nan 0.000 0.435 254 A N 0.970 123.752 122.820 -0.065 0.000 1.902 254 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 254 A C 2.387 180.026 177.584 0.091 0.000 1.181 254 A CA 1.426 53.449 52.037 -0.023 0.000 0.623 254 A CB -0.598 18.198 19.000 -0.341 0.000 0.818 254 A HN 0.104 nan 8.150 nan 0.000 0.443 255 V N -1.224 118.686 119.914 -0.006 0.000 2.287 255 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 255 V C 2.296 178.586 176.094 0.326 0.000 1.053 255 V CA 2.167 64.572 62.300 0.174 0.000 1.027 255 V CB -0.941 30.946 31.823 0.107 0.000 0.646 255 V HN 0.604 nan 8.190 nan 0.000 0.447 256 F N 1.433 121.527 119.950 0.239 0.000 2.186 256 F HA -0.064 4.463 4.527 0.000 0.000 0.299 256 F C 2.278 178.292 175.800 0.357 0.000 1.090 256 F CA 0.920 59.112 58.000 0.321 0.000 1.307 256 F CB -0.777 38.498 39.000 0.460 0.000 1.019 256 F HN 0.081 nan 8.300 nan 0.000 0.489 257 A N 0.645 123.662 122.820 0.329 0.000 1.908 257 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 257 A C 2.481 180.103 177.584 0.063 0.000 1.181 257 A CA 1.540 53.656 52.037 0.131 0.000 0.627 257 A CB -0.774 18.315 19.000 0.148 0.000 0.818 257 A HN 0.304 nan 8.150 nan 0.000 0.445 258 R N 0.000 120.591 120.500 0.151 0.000 2.083 258 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 258 R C 2.140 178.489 176.300 0.082 0.000 1.137 258 R CA 2.001 58.184 56.100 0.138 0.000 0.951 258 R CB -0.580 29.859 30.300 0.231 0.000 0.851 258 R HN 0.793 nan 8.270 nan 0.000 0.434 259 E N 0.258 120.507 120.200 0.081 0.000 2.118 259 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 259 E C 1.961 178.542 176.600 -0.032 0.000 0.992 259 E CA 1.048 57.480 56.400 0.053 0.000 0.804 259 E CB -0.066 29.721 29.700 0.145 0.000 0.741 259 E HN 0.345 nan 8.360 nan 0.000 0.458 260 L N -0.568 120.569 121.223 -0.143 0.000 2.478 260 L HA 0.093 4.433 4.340 -0.000 0.000 0.223 260 L C 1.611 178.530 176.870 0.081 0.000 1.140 260 L CA 0.507 55.291 54.840 -0.094 0.000 0.842 260 L CB -0.057 41.871 42.059 -0.217 0.000 0.953 260 L HN 0.426 nan 8.230 nan 0.000 0.452 261 G N 0.613 109.453 108.800 0.067 0.000 2.153 261 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 261 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 261 G C 0.413 175.404 174.900 0.151 0.000 0.994 261 G CA 0.313 45.479 45.100 0.109 0.000 0.698 261 G HN 0.280 nan 8.290 nan 0.000 0.521 262 V N -2.081 117.885 119.914 0.087 0.000 2.881 262 V HA 0.682 4.802 4.120 -0.000 0.000 0.303 262 V C -0.035 176.072 176.094 0.022 0.000 1.070 262 V CA -0.817 61.495 62.300 0.019 0.000 1.074 262 V CB 1.226 33.002 31.823 -0.078 0.000 1.012 262 V HN 0.080 nan 8.190 nan 0.000 0.482 263 P HA 0.308 nan 4.420 nan 0.000 0.245 263 P C 0.038 177.318 177.300 -0.033 0.000 1.203 263 P CA 0.580 63.683 63.100 0.005 0.000 0.792 263 P CB 0.512 32.237 31.700 0.042 0.000 0.997 264 I N -0.091 120.461 120.570 -0.031 0.000 2.775 264 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 264 I C -1.148 174.920 176.117 -0.083 0.000 1.287 264 I CA -1.284 59.955 61.300 -0.103 0.000 1.029 264 I CB 2.505 40.388 38.000 -0.195 0.000 1.282 264 I HN -0.287 nan 8.210 nan 0.000 0.426 265 V N 4.366 124.218 119.914 -0.102 0.000 3.164 265 V HA 0.751 4.871 4.120 -0.000 0.000 0.313 265 V C -0.549 175.509 176.094 -0.060 0.000 1.188 265 V CA -0.760 61.507 62.300 -0.055 0.000 1.058 265 V CB 1.880 33.706 31.823 0.005 0.000 1.110 265 V HN 0.922 nan 8.190 nan 0.000 0.453 266 M N 0.829 120.451 119.600 0.036 0.000 2.618 266 M HA 0.823 5.303 4.480 -0.000 0.000 0.281 266 M C -1.355 175.054 176.300 0.182 0.000 1.267 266 M CA -0.480 54.881 55.300 0.101 0.000 0.845 266 M CB 2.333 35.064 32.600 0.218 0.000 1.732 266 M HN 1.036 nan 8.290 nan 0.000 0.461 267 H N -0.721 118.381 119.070 0.052 0.000 3.046 267 H HA 0.456 5.012 4.556 -0.000 0.000 0.363 267 H C -2.071 173.307 175.328 0.083 0.000 1.203 267 H CA -0.414 55.660 56.048 0.042 0.000 1.169 267 H CB 2.176 31.940 29.762 0.003 0.000 1.851 267 H HN 0.817 nan 8.280 nan 0.000 0.546 268 D N 3.979 124.085 120.400 -0.489 0.000 2.456 268 D HA 0.004 4.644 4.640 -0.000 0.000 0.219 268 D C 0.489 176.480 176.300 -0.515 0.000 1.126 268 D CA -0.116 53.705 54.000 -0.298 0.000 0.890 268 D CB 0.415 41.095 40.800 -0.199 0.000 1.025 268 D HN 0.612 nan 8.370 nan 0.000 0.511 269 Y N 2.065 122.112 120.300 -0.422 0.000 2.333 269 Y HA -0.077 4.473 4.550 -0.000 0.000 0.290 269 Y C 1.383 176.995 175.900 -0.480 0.000 1.144 269 Y CA 0.868 58.736 58.100 -0.387 0.000 1.228 269 Y CB -0.315 37.984 38.460 -0.268 0.000 0.985 269 Y HN 0.275 nan 8.280 nan 0.000 0.542 270 L N 0.240 120.972 121.223 -0.819 0.000 2.168 270 L HA -0.036 4.304 4.340 -0.000 0.000 0.203 270 L C 2.612 179.255 176.870 -0.378 0.000 1.078 270 L CA 1.392 55.799 54.840 -0.721 0.000 0.780 270 L CB -0.772 40.874 42.059 -0.687 0.000 0.939 270 L HN 0.375 nan 8.230 nan 0.000 0.451 271 T N -3.096 111.285 114.554 -0.289 0.000 2.942 271 T HA -0.022 4.328 4.350 -0.000 0.000 0.265 271 T C 1.881 176.485 174.700 -0.161 0.000 1.062 271 T CA 0.880 62.871 62.100 -0.182 0.000 1.139 271 T CB -0.586 68.203 68.868 -0.132 0.000 0.883 271 T HN 0.328 nan 8.240 nan 0.000 0.468 272 G N 1.404 110.070 108.800 -0.222 0.000 2.395 272 G HA2 0.431 4.391 3.960 -0.000 0.000 0.214 272 G HA3 0.431 4.391 3.960 -0.000 0.000 0.214 272 G C 0.835 175.709 174.900 -0.044 0.000 1.177 272 G CA 0.230 45.262 45.100 -0.112 0.000 0.794 272 G HN 1.216 nan 8.290 nan 0.000 0.532 273 G N -1.993 106.727 108.800 -0.134 0.000 2.539 273 G HA2 0.003 3.963 3.960 -0.000 0.000 0.686 273 G HA3 0.003 3.963 3.960 -0.000 0.000 0.686 273 G C 0.086 174.931 174.900 -0.091 0.000 1.258 273 G CA -0.192 44.832 45.100 -0.128 0.000 0.846 273 G HN 0.060 nan 8.290 nan 0.000 0.647 274 F N 0.678 120.673 119.950 0.074 0.000 2.146 274 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 274 F C 3.140 178.960 175.800 0.034 0.000 1.096 274 F CA 2.327 60.368 58.000 0.069 0.000 1.275 274 F CB -0.630 38.376 39.000 0.010 0.000 1.008 274 F HN 0.560 nan 8.300 nan 0.000 0.480 275 T N -0.160 114.503 114.554 0.182 0.000 2.684 275 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 275 T C 2.275 176.992 174.700 0.029 0.000 1.036 275 T CA 1.551 63.704 62.100 0.088 0.000 1.148 275 T CB -0.691 68.215 68.868 0.064 0.000 0.863 275 T HN 0.289 nan 8.240 nan 0.000 0.436 276 A N 1.736 124.575 122.820 0.032 0.000 1.929 276 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 276 A C 2.271 179.797 177.584 -0.096 0.000 1.176 276 A CA 1.345 53.365 52.037 -0.028 0.000 0.628 276 A CB -0.708 18.301 19.000 0.015 0.000 0.816 276 A HN 0.522 nan 8.150 nan 0.000 0.444 277 N N -0.184 118.536 118.700 0.034 0.000 2.120 277 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 277 N C 1.586 177.060 175.510 -0.059 0.000 1.024 277 N CA 2.087 55.150 53.050 0.023 0.000 0.852 277 N CB -0.164 38.458 38.487 0.224 0.000 1.003 277 N HN 0.426 nan 8.380 nan 0.000 0.424 278 T N -0.178 114.349 114.554 -0.045 0.000 2.746 278 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 278 T C 1.865 176.295 174.700 -0.450 0.000 1.039 278 T CA 1.609 63.583 62.100 -0.211 0.000 1.142 278 T CB -0.651 68.138 68.868 -0.132 0.000 0.866 278 T HN 0.295 nan 8.240 nan 0.000 0.444 279 T N 2.221 116.616 114.554 -0.265 0.000 2.720 279 T HA -0.060 4.289 4.350 -0.000 0.000 0.268 279 T C 1.862 176.482 174.700 -0.134 0.000 1.037 279 T CA 0.938 62.921 62.100 -0.196 0.000 1.144 279 T CB -0.441 68.359 68.868 -0.112 0.000 0.864 279 T HN 0.113 nan 8.240 nan 0.000 0.444 280 L N 0.895 122.016 121.223 -0.169 0.000 2.093 280 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 280 L C 2.614 179.478 176.870 -0.010 0.000 1.085 280 L CA 1.681 56.452 54.840 -0.116 0.000 0.755 280 L CB -0.984 40.899 42.059 -0.293 0.000 0.904 280 L HN 0.183 nan 8.230 nan 0.000 0.435 281 S N -1.383 114.279 115.700 -0.064 0.000 2.370 281 S HA -0.248 4.222 4.470 -0.000 0.000 0.226 281 S C 2.082 176.764 174.600 0.136 0.000 1.033 281 S CA 1.448 59.653 58.200 0.008 0.000 1.011 281 S CB -0.397 62.794 63.200 -0.016 0.000 0.852 281 S HN 0.666 nan 8.310 nan 0.000 0.457 282 H N -0.662 118.417 119.070 0.015 0.000 2.326 282 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 282 H C 1.805 177.146 175.328 0.022 0.000 1.081 282 H CA 1.600 57.651 56.048 0.005 0.000 1.334 282 H CB -1.202 28.569 29.762 0.014 0.000 1.385 282 H HN 0.633 nan 8.280 nan 0.000 0.504 283 Y N 0.748 121.102 120.300 0.089 0.000 2.165 283 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 283 Y C 2.505 178.432 175.900 0.044 0.000 1.155 283 Y CA 1.441 59.569 58.100 0.046 0.000 1.164 283 Y CB -0.614 37.852 38.460 0.010 0.000 0.978 283 Y HN 0.157 nan 8.280 nan 0.000 0.513 284 C N 0.051 119.427 119.300 0.126 0.000 2.425 284 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 284 C C 2.735 177.746 174.990 0.035 0.000 1.280 284 C CA 1.351 60.418 59.018 0.082 0.000 1.744 284 C CB -1.203 26.610 27.740 0.122 0.000 1.989 284 C HN 0.563 nan 8.230 nan 0.000 0.491 285 R N 1.884 122.364 120.500 -0.035 0.000 2.066 285 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 285 R C 1.517 177.763 176.300 -0.090 0.000 1.131 285 R CA 1.960 57.982 56.100 -0.131 0.000 0.955 285 R CB -0.969 29.253 30.300 -0.130 0.000 0.851 285 R HN 0.399 nan 8.270 nan 0.000 0.432 286 D N -0.133 120.193 120.400 -0.123 0.000 2.263 286 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 286 D C 0.396 176.572 176.300 -0.206 0.000 0.971 286 D CA 0.980 54.884 54.000 -0.160 0.000 0.867 286 D CB -0.031 40.657 40.800 -0.186 0.000 0.929 286 D HN 0.352 nan 8.370 nan 0.000 0.492 287 N N -0.762 117.780 118.700 -0.263 0.000 2.238 287 N HA 0.139 4.879 4.740 -0.000 0.000 0.235 287 N C 0.709 176.180 175.510 -0.067 0.000 1.209 287 N CA 0.290 53.206 53.050 -0.225 0.000 0.879 287 N CB 1.751 39.967 38.487 -0.452 0.000 1.136 287 N HN 0.051 nan 8.380 nan 0.000 0.517 288 G N 1.601 110.425 108.800 0.039 0.000 2.249 288 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.273 288 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.273 288 G C -0.155 174.716 174.900 -0.048 0.000 1.036 288 G CA 0.225 45.368 45.100 0.071 0.000 0.824 288 G HN 0.263 nan 8.290 nan 0.000 0.504 289 L N -0.216 121.041 121.223 0.057 0.000 2.295 289 L HA 0.565 4.905 4.340 -0.000 0.000 0.285 289 L C 1.023 177.899 176.870 0.011 0.000 1.035 289 L CA -1.073 53.769 54.840 0.004 0.000 0.806 289 L CB 1.412 43.512 42.059 0.068 0.000 1.214 289 L HN 0.051 nan 8.230 nan 0.000 0.426 290 L N 3.830 124.983 121.223 -0.115 0.000 2.397 290 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 290 L C -0.375 176.401 176.870 -0.157 0.000 1.148 290 L CA -0.275 54.489 54.840 -0.127 0.000 0.825 290 L CB 0.945 42.869 42.059 -0.225 0.000 1.117 290 L HN 0.381 nan 8.230 nan 0.000 0.456 291 L N 3.719 124.846 121.223 -0.160 0.000 2.295 291 L HA 0.320 4.660 4.340 -0.000 0.000 0.281 291 L C -0.431 176.242 176.870 -0.327 0.000 1.018 291 L CA -0.235 54.496 54.840 -0.181 0.000 0.841 291 L CB 0.789 42.800 42.059 -0.079 0.000 1.218 291 L HN 0.455 nan 8.230 nan 0.000 0.424 292 H N 5.448 124.201 119.070 -0.527 0.000 2.620 292 H HA 0.510 5.066 4.556 -0.000 0.000 0.313 292 H C -0.802 174.411 175.328 -0.191 0.000 1.075 292 H CA -0.482 55.221 56.048 -0.574 0.000 1.397 292 H CB 0.653 29.772 29.762 -1.072 0.000 1.446 292 H HN 0.503 nan 8.280 nan 0.000 0.493 293 I N 5.894 126.103 120.570 -0.602 0.000 2.354 293 I HA 0.129 4.299 4.170 -0.000 0.000 0.292 293 I C 0.212 176.192 176.117 -0.228 0.000 0.989 293 I CA -0.373 60.745 61.300 -0.303 0.000 1.188 293 I CB 0.991 38.818 38.000 -0.289 0.000 1.342 293 I HN 0.742 nan 8.210 nan 0.000 0.457 294 H N 7.387 126.420 119.070 -0.062 0.000 2.479 294 H HA 0.380 4.936 4.556 -0.000 0.000 0.335 294 H C 0.037 175.381 175.328 0.027 0.000 1.142 294 H CA -0.615 55.395 56.048 -0.063 0.000 1.234 294 H CB 1.677 31.375 29.762 -0.107 0.000 1.503 294 H HN 0.602 nan 8.280 nan 0.000 0.510 295 R N 2.865 122.950 120.500 -0.693 0.000 2.831 295 R HA 0.444 4.784 4.340 -0.000 0.000 0.337 295 R C -0.191 175.936 176.300 -0.288 0.000 1.200 295 R CA -0.581 55.343 56.100 -0.294 0.000 1.088 295 R CB 0.014 30.201 30.300 -0.188 0.000 1.397 295 R HN 0.359 nan 8.270 nan 0.000 0.581 296 A N 1.555 124.244 122.820 -0.219 0.000 2.567 296 A HA 0.098 4.418 4.320 -0.000 0.000 0.240 296 A C 0.954 178.501 177.584 -0.062 0.000 1.053 296 A CA 0.715 52.759 52.037 0.013 0.000 0.755 296 A CB -0.077 19.003 19.000 0.134 0.000 0.978 296 A HN 0.896 nan 8.150 nan 0.000 0.507 297 M N 0.496 120.065 119.600 -0.052 0.000 3.007 297 M HA -0.290 4.190 4.480 -0.000 0.000 0.210 297 M C 0.988 177.214 176.300 -0.122 0.000 0.585 297 M CA 1.839 57.077 55.300 -0.103 0.000 0.804 297 M CB -2.072 30.459 32.600 -0.116 0.000 2.870 297 M HN 1.262 nan 8.290 nan 0.000 0.297 298 H N -0.683 118.290 119.070 -0.161 0.000 2.352 298 H HA 0.237 4.793 4.556 -0.000 0.000 0.299 298 H C 1.744 177.008 175.328 -0.106 0.000 1.097 298 H CA 2.011 57.987 56.048 -0.120 0.000 1.311 298 H CB -0.558 29.147 29.762 -0.095 0.000 1.377 298 H HN 0.486 nan 8.280 nan 0.000 0.504 299 A N 1.121 123.328 122.820 -1.021 0.000 2.121 299 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 299 A C 2.446 179.856 177.584 -0.291 0.000 1.154 299 A CA 1.171 52.823 52.037 -0.642 0.000 0.679 299 A CB -0.744 17.878 19.000 -0.630 0.000 0.795 299 A HN 0.379 nan 8.150 nan 0.000 0.458 300 V N -0.491 119.286 119.914 -0.229 0.000 2.626 300 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 300 V C 2.170 178.207 176.094 -0.095 0.000 1.067 300 V CA 1.915 64.135 62.300 -0.133 0.000 1.081 300 V CB -0.421 31.335 31.823 -0.111 0.000 0.686 300 V HN 0.611 nan 8.190 nan 0.000 0.468 301 I N 0.515 121.023 120.570 -0.104 0.000 2.810 301 I HA -0.008 4.162 4.170 -0.000 0.000 0.262 301 I C 1.733 177.821 176.117 -0.049 0.000 1.131 301 I CA 1.006 62.263 61.300 -0.072 0.000 1.453 301 I CB -0.065 37.886 38.000 -0.081 0.000 1.161 301 I HN 0.429 nan 8.210 nan 0.000 0.444 302 D N -0.145 120.221 120.400 -0.056 0.000 2.363 302 D HA -0.049 4.591 4.640 -0.000 0.000 0.214 302 D C 1.807 178.072 176.300 -0.059 0.000 1.093 302 D CA 0.018 53.992 54.000 -0.044 0.000 0.837 302 D CB 0.006 40.807 40.800 0.002 0.000 0.948 302 D HN -0.023 nan 8.370 nan 0.000 0.507 303 R N 0.301 120.761 120.500 -0.067 0.000 2.062 303 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 303 R C 0.496 176.803 176.300 0.010 0.000 1.128 303 R CA 1.139 57.210 56.100 -0.048 0.000 0.960 303 R CB -0.155 30.100 30.300 -0.075 0.000 0.855 303 R HN 0.059 nan 8.270 nan 0.000 0.432 304 Q N 0.692 120.511 119.800 0.033 0.000 2.293 304 Q HA 0.035 4.375 4.340 -0.000 0.000 0.251 304 Q C 0.250 176.307 176.000 0.096 0.000 0.930 304 Q CA 0.051 55.893 55.803 0.065 0.000 0.893 304 Q CB 1.553 30.335 28.738 0.073 0.000 1.215 304 Q HN 0.121 nan 8.270 nan 0.000 0.425 305 K N 2.559 123.019 120.400 0.100 0.000 2.211 305 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 305 K C 1.328 177.996 176.600 0.114 0.000 1.050 305 K CA 1.550 57.907 56.287 0.117 0.000 0.945 305 K CB 0.276 32.838 32.500 0.103 0.000 0.732 305 K HN 0.612 nan 8.250 nan 0.000 0.451 306 N N -0.959 117.810 118.700 0.115 0.000 2.395 306 N HA -0.117 4.623 4.740 -0.000 0.000 0.175 306 N C -0.105 175.517 175.510 0.188 0.000 1.029 306 N CA 0.804 53.929 53.050 0.125 0.000 0.897 306 N CB -0.018 38.533 38.487 0.108 0.000 0.991 306 N HN 0.272 nan 8.380 nan 0.000 0.441 307 H N -1.307 117.822 119.070 0.099 0.000 2.894 307 H HA 0.576 5.132 4.556 -0.000 0.000 0.367 307 H C 0.175 175.597 175.328 0.157 0.000 1.144 307 H CA 0.380 56.518 56.048 0.149 0.000 1.180 307 H CB 1.713 31.550 29.762 0.124 0.000 1.758 307 H HN 0.359 nan 8.280 nan 0.000 0.541 308 G N 2.219 110.970 108.800 -0.081 0.000 2.301 308 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.194 308 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.194 308 G C -1.427 173.480 174.900 0.011 0.000 1.266 308 G CA -0.344 44.744 45.100 -0.021 0.000 1.210 308 G HN 0.658 nan 8.290 nan 0.000 0.524 309 M N 0.784 120.358 119.600 -0.042 0.000 2.324 309 M HA 0.366 4.846 4.480 -0.000 0.000 0.288 309 M C -0.360 175.947 176.300 0.012 0.000 1.097 309 M CA -0.793 54.481 55.300 -0.043 0.000 0.928 309 M CB 2.356 34.842 32.600 -0.191 0.000 1.648 309 M HN 0.773 nan 8.290 nan 0.000 0.460 310 H N 2.020 121.091 119.070 0.002 0.000 2.790 310 H HA 0.061 4.617 4.556 -0.000 0.000 0.358 310 H C 0.153 175.523 175.328 0.070 0.000 1.103 310 H CA 0.768 56.855 56.048 0.064 0.000 1.426 310 H CB 0.851 30.654 29.762 0.067 0.000 1.424 310 H HN 0.776 nan 8.280 nan 0.000 0.599 311 F N 4.945 124.598 119.950 -0.495 0.000 2.250 311 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 311 F C 2.587 178.319 175.800 -0.113 0.000 1.077 311 F CA 1.685 59.515 58.000 -0.284 0.000 1.348 311 F CB -0.143 38.566 39.000 -0.486 0.000 1.040 311 F HN 0.688 nan 8.300 nan 0.000 0.509 312 R N -0.472 120.107 120.500 0.132 0.000 2.152 312 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 312 R C 1.735 178.002 176.300 -0.056 0.000 1.117 312 R CA 1.822 57.932 56.100 0.018 0.000 0.981 312 R CB -1.323 29.157 30.300 0.300 0.000 0.870 312 R HN 0.295 nan 8.270 nan 0.000 0.451 313 V N 1.686 121.598 119.914 -0.004 0.000 2.407 313 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 313 V C 2.393 178.515 176.094 0.047 0.000 1.041 313 V CA 1.324 63.637 62.300 0.021 0.000 1.040 313 V CB -0.303 31.518 31.823 -0.003 0.000 0.671 313 V HN 0.281 nan 8.190 nan 0.000 0.455 314 L N 0.063 121.258 121.223 -0.047 0.000 2.141 314 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 314 L C 2.657 179.473 176.870 -0.090 0.000 1.094 314 L CA 1.327 56.227 54.840 0.100 0.000 0.763 314 L CB -0.734 41.386 42.059 0.101 0.000 0.908 314 L HN 0.360 nan 8.230 nan 0.000 0.437 315 A N 0.177 122.647 122.820 -0.584 0.000 1.897 315 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 315 A C 2.345 179.811 177.584 -0.198 0.000 1.181 315 A CA 1.232 52.941 52.037 -0.548 0.000 0.620 315 A CB -0.223 18.320 19.000 -0.762 0.000 0.821 315 A HN 0.247 nan 8.150 nan 0.000 0.443 316 K N -0.218 120.146 120.400 -0.059 0.000 2.057 316 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 316 K C 2.298 178.910 176.600 0.020 0.000 1.049 316 K CA 1.074 57.435 56.287 0.123 0.000 0.931 316 K CB -0.308 32.308 32.500 0.193 0.000 0.714 316 K HN 0.431 nan 8.250 nan 0.000 0.440 317 A N 1.846 124.648 122.820 -0.029 0.000 1.902 317 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 317 A C 2.037 179.549 177.584 -0.121 0.000 1.181 317 A CA 1.081 52.999 52.037 -0.199 0.000 0.623 317 A CB -0.552 18.288 19.000 -0.268 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.443 318 L N -0.325 120.886 121.223 -0.019 0.000 2.093 318 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 318 L C 2.439 179.185 176.870 -0.206 0.000 1.085 318 L CA 2.295 57.030 54.840 -0.175 0.000 0.755 318 L CB -0.862 40.823 42.059 -0.622 0.000 0.904 318 L HN 0.549 nan 8.230 nan 0.000 0.435 319 R N -0.396 119.967 120.500 -0.228 0.000 2.096 319 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 319 R C 2.385 178.551 176.300 -0.223 0.000 1.127 319 R CA 1.345 57.270 56.100 -0.292 0.000 0.968 319 R CB -0.085 29.901 30.300 -0.522 0.000 0.861 319 R HN 0.408 nan 8.270 nan 0.000 0.440 320 L N -0.656 120.435 121.223 -0.221 0.000 2.007 320 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 320 L C 2.626 179.430 176.870 -0.111 0.000 1.073 320 L CA 1.487 56.111 54.840 -0.360 0.000 0.744 320 L CB -0.696 40.801 42.059 -0.937 0.000 0.898 320 L HN 0.252 nan 8.230 nan 0.000 0.435 321 S N -0.788 114.875 115.700 -0.061 0.000 2.365 321 S HA -0.043 4.427 4.470 -0.000 0.000 0.225 321 S C 0.846 175.488 174.600 0.071 0.000 1.039 321 S CA 1.245 59.509 58.200 0.107 0.000 1.033 321 S CB -0.344 62.978 63.200 0.202 0.000 0.887 321 S HN 0.646 nan 8.310 nan 0.000 0.447 322 G N -1.693 107.099 108.800 -0.014 0.000 2.957 322 G HA2 0.435 4.395 3.960 -0.000 0.000 0.636 322 G HA3 0.435 4.395 3.960 -0.000 0.000 0.636 322 G C -0.344 174.504 174.900 -0.087 0.000 1.401 322 G CA -0.429 44.648 45.100 -0.039 0.000 0.941 322 G HN 1.099 nan 8.290 nan 0.000 0.610 323 G N 0.499 109.227 108.800 -0.119 0.000 2.691 323 G HA2 0.591 4.551 3.960 -0.000 0.000 0.298 323 G HA3 0.591 4.551 3.960 -0.000 0.000 0.298 323 G C -0.160 174.665 174.900 -0.126 0.000 1.471 323 G CA 0.190 45.204 45.100 -0.144 0.000 0.912 323 G HN 0.367 nan 8.290 nan 0.000 0.553 324 D N -0.280 120.047 120.400 -0.121 0.000 2.271 324 D HA 0.092 4.732 4.640 -0.000 0.000 0.206 324 D C 0.424 176.771 176.300 0.078 0.000 0.967 324 D CA 1.077 55.044 54.000 -0.055 0.000 0.867 324 D CB 0.358 41.108 40.800 -0.084 0.000 0.960 324 D HN 0.581 nan 8.370 nan 0.000 0.509 325 H N -0.924 118.022 119.070 -0.207 0.000 2.865 325 H HA 0.620 5.176 4.556 0.000 0.000 0.372 325 H C -0.832 174.303 175.328 -0.320 0.000 1.173 325 H CA -0.858 55.052 56.048 -0.230 0.000 1.147 325 H CB 3.124 32.748 29.762 -0.229 0.000 1.805 325 H HN -0.160 nan 8.280 nan 0.000 0.553 326 I N 1.506 122.003 120.570 -0.122 0.000 2.644 326 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 326 I C -0.681 175.406 176.117 -0.049 0.000 1.180 326 I CA -0.545 60.677 61.300 -0.131 0.000 1.040 326 I CB 1.693 39.631 38.000 -0.104 0.000 1.255 326 I HN 0.675 nan 8.210 nan 0.000 0.422 327 H N 5.217 124.202 119.070 -0.142 0.000 2.964 327 H HA 0.086 4.642 4.556 -0.000 0.000 0.328 327 H C 0.584 175.837 175.328 -0.125 0.000 1.030 327 H CA 0.911 56.890 56.048 -0.115 0.000 1.445 327 H CB 1.038 30.698 29.762 -0.170 0.000 1.449 327 H HN 0.668 nan 8.280 nan 0.000 0.581 328 S N 1.886 117.585 115.700 -0.001 0.000 2.666 328 S HA 0.319 4.789 4.470 -0.000 0.000 0.239 328 S C 0.887 175.585 174.600 0.163 0.000 1.031 328 S CA 0.060 58.355 58.200 0.157 0.000 1.015 328 S CB 1.071 64.500 63.200 0.382 0.000 0.981 328 S HN 1.055 nan 8.310 nan 0.000 0.547 329 G N 1.237 110.053 108.800 0.027 0.000 2.663 329 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.686 329 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.686 329 G C 0.225 175.200 174.900 0.126 0.000 1.288 329 G CA 0.098 45.236 45.100 0.063 0.000 0.836 329 G HN 0.964 nan 8.290 nan 0.000 0.584 330 T N -3.059 111.546 114.554 0.084 0.000 2.959 330 T HA 0.481 4.831 4.350 -0.000 0.000 0.254 330 T C 1.805 176.569 174.700 0.107 0.000 1.003 330 T CA 1.314 63.471 62.100 0.095 0.000 0.950 330 T CB 0.522 69.336 68.868 -0.090 0.000 1.090 330 T HN 2.270 nan 8.240 nan 0.000 0.503 331 V N 0.867 120.822 119.914 0.068 0.000 0.550 331 V HA -0.342 3.778 4.120 -0.000 0.000 0.092 331 V C 2.094 178.202 176.094 0.023 0.000 2.065 331 V CA 2.126 64.445 62.300 0.031 0.000 3.496 331 V CB -1.885 29.921 31.823 -0.029 0.000 0.788 331 V HN 0.719 nan 8.190 nan 0.000 0.820 332 V N -0.653 119.254 119.914 -0.012 0.000 3.623 332 V HA 0.596 4.716 4.120 -0.000 0.000 0.271 332 V C 1.270 177.309 176.094 -0.092 0.000 1.248 332 V CA 1.490 63.782 62.300 -0.015 0.000 1.156 332 V CB -0.351 31.472 31.823 -0.000 0.000 0.870 332 V HN 0.951 nan 8.190 nan 0.000 0.453 333 G N 1.387 110.076 108.800 -0.185 0.000 2.531 333 G HA2 0.253 4.213 3.960 -0.000 0.000 0.253 333 G HA3 0.253 4.213 3.960 -0.000 0.000 0.253 333 G C 0.766 175.404 174.900 -0.436 0.000 1.439 333 G CA 0.019 44.921 45.100 -0.329 0.000 1.056 333 G HN 0.515 nan 8.290 nan 0.000 0.555 334 K N -1.242 118.647 120.400 -0.852 0.000 2.365 334 K HA 0.130 4.450 4.320 -0.000 0.000 0.199 334 K C 0.371 176.801 176.600 -0.283 0.000 1.045 334 K CA 0.529 56.319 56.287 -0.828 0.000 0.962 334 K CB -0.257 31.698 32.500 -0.909 0.000 0.759 334 K HN 0.223 nan 8.250 nan 0.000 0.469 335 L N 1.600 122.706 121.223 -0.195 0.000 2.330 335 L HA 0.325 4.665 4.340 -0.000 0.000 0.271 335 L C -0.061 176.786 176.870 -0.037 0.000 1.013 335 L CA -1.181 53.599 54.840 -0.101 0.000 0.816 335 L CB 1.746 43.759 42.059 -0.077 0.000 1.287 335 L HN 0.089 nan 8.230 nan 0.000 0.435 336 E N 0.814 121.004 120.200 -0.016 0.000 2.452 336 E HA 0.361 4.711 4.350 -0.000 0.000 0.261 336 E C -0.239 176.397 176.600 0.060 0.000 0.987 336 E CA 0.203 56.622 56.400 0.030 0.000 0.926 336 E CB 0.639 30.353 29.700 0.023 0.000 0.934 336 E HN 0.761 nan 8.360 nan 0.000 0.452 337 G N 4.357 113.209 108.800 0.087 0.000 2.374 337 G HA2 0.008 3.968 3.960 -0.000 0.000 0.298 337 G HA3 0.008 3.968 3.960 -0.000 0.000 0.298 337 G C -1.119 173.840 174.900 0.099 0.000 2.674 337 G CA -0.743 44.430 45.100 0.123 0.000 0.775 337 G HN 0.402 nan 8.290 nan 0.000 0.437 338 E N 1.489 121.757 120.200 0.113 0.000 2.384 338 E HA 0.086 4.436 4.350 -0.000 0.000 0.266 338 E C 1.408 178.017 176.600 0.015 0.000 1.012 338 E CA -0.414 56.030 56.400 0.072 0.000 0.901 338 E CB 1.937 31.693 29.700 0.093 0.000 0.967 338 E HN 0.674 nan 8.360 nan 0.000 0.435 339 R N 2.596 123.082 120.500 -0.023 0.000 2.083 339 R HA -0.194 4.145 4.340 -0.000 0.000 0.237 339 R C 0.891 177.123 176.300 -0.113 0.000 1.137 339 R CA 1.901 57.947 56.100 -0.090 0.000 0.951 339 R CB 0.117 30.368 30.300 -0.082 0.000 0.851 339 R HN 0.390 nan 8.270 nan 0.000 0.434 340 D N 0.159 120.521 120.400 -0.064 0.000 2.117 340 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 340 D C 1.868 178.124 176.300 -0.073 0.000 0.982 340 D CA 1.126 55.087 54.000 -0.066 0.000 0.828 340 D CB -0.043 40.737 40.800 -0.034 0.000 0.967 340 D HN 0.292 nan 8.370 nan 0.000 0.464 341 I N 0.410 120.966 120.570 -0.023 0.000 2.252 341 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 341 I C 2.132 178.140 176.117 -0.182 0.000 1.102 341 I CA 1.023 62.344 61.300 0.036 0.000 1.385 341 I CB -0.199 37.930 38.000 0.215 0.000 1.064 341 I HN 0.013 nan 8.210 nan 0.000 0.414 342 T N 1.274 115.615 114.554 -0.354 0.000 2.708 342 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 342 T C 1.937 176.158 174.700 -0.798 0.000 1.037 342 T CA 1.193 62.737 62.100 -0.927 0.000 1.146 342 T CB -0.322 68.308 68.868 -0.397 0.000 0.865 342 T HN 0.234 nan 8.240 nan 0.000 0.435 343 L N 0.674 121.650 121.223 -0.412 0.000 2.127 343 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 343 L C 2.911 179.665 176.870 -0.193 0.000 1.089 343 L CA 1.253 55.929 54.840 -0.274 0.000 0.757 343 L CB -0.927 41.018 42.059 -0.190 0.000 0.899 343 L HN 0.363 nan 8.230 nan 0.000 0.434 344 G N 0.896 109.586 108.800 -0.182 0.000 2.414 344 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.215 344 G C 1.301 176.229 174.900 0.046 0.000 1.188 344 G CA 0.859 45.930 45.100 -0.048 0.000 0.783 344 G HN 0.467 nan 8.290 nan 0.000 0.537 345 F N 0.767 120.797 119.950 0.133 0.000 2.407 345 F HA 0.200 4.727 4.527 0.000 0.000 0.299 345 F C 2.145 178.026 175.800 0.135 0.000 1.097 345 F CA 0.039 58.130 58.000 0.151 0.000 1.422 345 F CB -0.872 38.255 39.000 0.211 0.000 1.067 345 F HN -0.007 nan 8.300 nan 0.000 0.539 346 V N 1.175 121.151 119.914 0.102 0.000 2.427 346 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 346 V C 2.025 178.192 176.094 0.121 0.000 1.051 346 V CA 2.223 64.621 62.300 0.164 0.000 1.048 346 V CB -0.663 31.215 31.823 0.092 0.000 0.666 346 V HN 0.239 nan 8.190 nan 0.000 0.456 347 D N -0.024 120.427 120.400 0.085 0.000 2.144 347 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 347 D C 2.092 178.469 176.300 0.129 0.000 0.978 347 D CA 0.994 55.045 54.000 0.086 0.000 0.833 347 D CB -0.173 40.666 40.800 0.065 0.000 0.961 347 D HN 0.323 nan 8.370 nan 0.000 0.470 348 L N 0.061 121.395 121.223 0.186 0.000 2.201 348 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 348 L C 2.278 179.225 176.870 0.129 0.000 1.105 348 L CA 0.486 55.495 54.840 0.281 0.000 0.775 348 L CB -0.117 42.132 42.059 0.317 0.000 0.913 348 L HN 0.060 nan 8.230 nan 0.000 0.440 349 L N -1.088 120.161 121.223 0.043 0.000 2.202 349 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 349 L C 2.610 179.366 176.870 -0.189 0.000 1.083 349 L CA 0.854 55.627 54.840 -0.112 0.000 0.790 349 L CB -0.137 41.933 42.059 0.019 0.000 0.942 349 L HN 0.156 nan 8.230 nan 0.000 0.452 350 R N -0.940 119.515 120.500 -0.074 0.000 2.206 350 R HA 0.083 4.423 4.340 -0.000 0.000 0.198 350 R C -0.046 176.223 176.300 -0.052 0.000 0.986 350 R CA 0.086 56.149 56.100 -0.062 0.000 1.029 350 R CB 0.221 30.526 30.300 0.010 0.000 0.966 350 R HN 0.253 nan 8.270 nan 0.000 0.487 351 D N 0.104 120.503 120.400 -0.003 0.000 2.432 351 D HA 0.019 4.659 4.640 -0.000 0.000 0.258 351 D C 0.156 176.542 176.300 0.143 0.000 1.146 351 D CA -0.143 53.903 54.000 0.077 0.000 1.015 351 D CB 0.967 41.845 40.800 0.130 0.000 1.107 351 D HN -0.135 nan 8.370 nan 0.000 0.529 352 D N -1.940 118.599 120.400 0.231 0.000 2.366 352 D HA -0.020 4.620 4.640 -0.000 0.000 0.205 352 D C -0.859 175.718 176.300 0.460 0.000 1.022 352 D CA 0.149 54.356 54.000 0.346 0.000 0.868 352 D CB 0.338 41.275 40.800 0.228 0.000 0.953 352 D HN 0.262 nan 8.370 nan 0.000 0.514 353 Y N -0.383 120.055 120.300 0.230 0.000 2.442 353 Y HA 0.456 5.005 4.550 -0.000 0.000 0.330 353 Y C -1.667 174.319 175.900 0.144 0.000 1.100 353 Y CA -0.756 57.435 58.100 0.152 0.000 1.034 353 Y CB 1.806 40.322 38.460 0.092 0.000 1.285 353 Y HN -0.281 nan 8.280 nan 0.000 0.440 354 T N 5.381 119.629 114.554 -0.510 0.000 3.011 354 T HA 0.244 4.594 4.350 -0.000 0.000 0.303 354 T C -1.044 173.331 174.700 -0.543 0.000 0.997 354 T CA -0.753 61.141 62.100 -0.342 0.000 1.007 354 T CB 1.478 70.319 68.868 -0.046 0.000 1.017 354 T HN 0.650 nan 8.240 nan 0.000 0.443 355 E N 2.190 122.136 120.200 -0.424 0.000 2.366 355 E HA 0.211 4.561 4.350 -0.000 0.000 0.266 355 E C 0.264 176.802 176.600 -0.103 0.000 1.051 355 E CA -0.673 55.579 56.400 -0.247 0.000 0.884 355 E CB 0.757 30.426 29.700 -0.052 0.000 1.006 355 E HN 0.447 nan 8.360 nan 0.000 0.417 356 K N 2.685 123.054 120.400 -0.052 0.000 2.550 356 K HA -0.131 4.189 4.320 -0.000 0.000 0.280 356 K C -0.946 175.625 176.600 -0.049 0.000 0.987 356 K CA 0.625 56.895 56.287 -0.029 0.000 1.048 356 K CB 0.342 32.833 32.500 -0.014 0.000 0.879 356 K HN 0.388 nan 8.250 nan 0.000 0.491 357 D N 3.886 124.245 120.400 -0.068 0.000 2.445 357 D HA 0.145 4.785 4.640 -0.000 0.000 0.236 357 D C 0.308 176.537 176.300 -0.118 0.000 1.315 357 D CA -0.491 53.465 54.000 -0.074 0.000 0.924 357 D CB 0.543 41.315 40.800 -0.046 0.000 1.447 357 D HN 0.525 nan 8.370 nan 0.000 0.532 358 R N 0.738 121.134 120.500 -0.173 0.000 2.200 358 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 358 R C 1.820 178.021 176.300 -0.164 0.000 1.127 358 R CA 1.263 57.209 56.100 -0.257 0.000 0.989 358 R CB -0.651 29.477 30.300 -0.287 0.000 0.869 358 R HN 0.511 nan 8.270 nan 0.000 0.459 359 S N 0.296 115.935 115.700 -0.101 0.000 2.474 359 S HA -0.065 4.405 4.470 -0.000 0.000 0.235 359 S C 1.516 176.085 174.600 -0.052 0.000 0.997 359 S CA 0.653 58.813 58.200 -0.066 0.000 0.949 359 S CB -0.008 63.163 63.200 -0.047 0.000 0.766 359 S HN 0.303 nan 8.310 nan 0.000 0.517 360 R N 0.184 120.650 120.500 -0.057 0.000 2.509 360 R HA 0.335 4.675 4.340 -0.000 0.000 0.300 360 R C 1.185 177.473 176.300 -0.020 0.000 0.985 360 R CA 0.288 56.366 56.100 -0.035 0.000 1.092 360 R CB 0.366 30.645 30.300 -0.034 0.000 1.237 360 R HN 0.506 nan 8.270 nan 0.000 0.546 361 G N 1.772 110.539 108.800 -0.055 0.000 2.148 361 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 361 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 361 G C 0.153 175.094 174.900 0.068 0.000 0.981 361 G CA -0.113 44.975 45.100 -0.020 0.000 0.670 361 G HN 0.294 nan 8.290 nan 0.000 0.528 362 I N 0.932 121.500 120.570 -0.004 0.000 2.281 362 I HA 0.303 4.473 4.170 -0.000 0.000 0.293 362 I C 1.192 177.305 176.117 -0.007 0.000 1.085 362 I CA -0.898 60.444 61.300 0.071 0.000 1.257 362 I CB 0.396 38.419 38.000 0.038 0.000 1.430 362 I HN 0.050 nan 8.210 nan 0.000 0.489 363 Y N 5.205 125.422 120.300 -0.139 0.000 2.519 363 Y HA 0.170 4.720 4.550 0.000 0.000 0.287 363 Y C 0.211 175.798 175.900 -0.521 0.000 1.128 363 Y CA 0.305 58.192 58.100 -0.355 0.000 1.282 363 Y CB -0.109 38.004 38.460 -0.578 0.000 1.027 363 Y HN 0.305 nan 8.280 nan 0.000 0.551 364 F N -1.885 118.186 119.950 0.201 0.000 2.588 364 F HA 0.394 4.921 4.527 0.000 0.000 0.310 364 F C 0.150 175.953 175.800 0.006 0.000 1.082 364 F CA -1.680 56.385 58.000 0.109 0.000 0.929 364 F CB 1.119 40.183 39.000 0.107 0.000 1.254 364 F HN -0.505 nan 8.300 nan 0.000 0.455 365 T N 1.859 116.510 114.554 0.162 0.000 2.851 365 T HA 0.325 4.675 4.350 -0.000 0.000 0.298 365 T C -0.554 174.109 174.700 -0.060 0.000 0.977 365 T CA -0.097 61.982 62.100 -0.034 0.000 1.126 365 T CB 0.750 69.603 68.868 -0.026 0.000 0.916 365 T HN 0.450 nan 8.240 nan 0.000 0.529 366 Q N 2.162 121.851 119.800 -0.184 0.000 2.340 366 Q HA 0.555 4.895 4.340 -0.000 0.000 0.268 366 Q C -1.216 174.607 176.000 -0.296 0.000 1.031 366 Q CA -0.406 55.245 55.803 -0.254 0.000 0.804 366 Q CB 1.514 30.105 28.738 -0.244 0.000 1.286 366 Q HN 0.582 nan 8.270 nan 0.000 0.448 367 S N 3.063 118.586 115.700 -0.296 0.000 2.532 367 S HA 0.463 4.933 4.470 -0.000 0.000 0.301 367 S C -0.753 173.642 174.600 -0.342 0.000 1.083 367 S CA -0.529 57.611 58.200 -0.100 0.000 1.025 367 S CB 0.603 63.855 63.200 0.088 0.000 1.056 367 S HN 0.824 nan 8.310 nan 0.000 0.494 368 W N 0.925 122.270 121.300 0.075 0.000 3.008 368 W HA 0.218 4.878 4.660 -0.000 0.000 0.355 368 W C 0.617 177.157 176.519 0.035 0.000 1.095 368 W CA -0.458 56.909 57.345 0.036 0.000 1.738 368 W CB -0.070 29.405 29.460 0.024 0.000 1.091 368 W HN 0.608 nan 8.180 nan 0.000 0.574 369 V N -0.191 119.845 119.914 0.204 0.000 5.257 369 V HA -0.392 3.728 4.120 -0.000 0.000 0.265 369 V C 0.672 176.849 176.094 0.137 0.000 0.646 369 V CA 0.757 63.139 62.300 0.137 0.000 0.650 369 V CB -2.555 29.323 31.823 0.092 0.000 0.424 369 V HN 0.476 nan 8.190 nan 0.000 0.862 370 S N -2.282 113.511 115.700 0.154 0.000 3.361 370 S HA -0.200 4.270 4.470 -0.000 0.000 0.288 370 S C 0.655 175.310 174.600 0.091 0.000 1.269 370 S CA 1.266 59.532 58.200 0.110 0.000 0.976 370 S CB -1.788 61.455 63.200 0.072 0.000 1.162 370 S HN 1.520 nan 8.310 nan 0.000 0.643 371 T N 3.762 118.399 114.554 0.139 0.000 2.871 371 T HA 0.280 4.630 4.350 -0.000 0.000 0.296 371 T C -1.838 172.841 174.700 -0.036 0.000 0.998 371 T CA -0.338 61.804 62.100 0.070 0.000 1.162 371 T CB 0.281 69.235 68.868 0.144 0.000 0.947 371 T HN 0.095 nan 8.240 nan 0.000 0.536 372 P HA 0.178 nan 4.420 nan 0.000 0.267 372 P C 0.352 177.559 177.300 -0.156 0.000 1.201 372 P CA -0.138 62.918 63.100 -0.073 0.000 0.775 372 P CB 0.386 32.052 31.700 -0.056 0.000 0.854 373 G N 0.845 109.571 108.800 -0.124 0.000 2.448 373 G HA2 0.461 4.421 3.960 -0.000 0.000 0.285 373 G HA3 0.461 4.421 3.960 -0.000 0.000 0.285 373 G C -0.805 174.021 174.900 -0.124 0.000 1.176 373 G CA -0.412 44.588 45.100 -0.167 0.000 0.852 373 G HN 0.346 nan 8.290 nan 0.000 0.530 374 V N 1.979 121.804 119.914 -0.148 0.000 2.472 374 V HA 0.262 4.382 4.120 -0.000 0.000 0.290 374 V C -0.069 175.994 176.094 -0.052 0.000 1.037 374 V CA -0.898 61.343 62.300 -0.098 0.000 0.908 374 V CB 1.534 33.270 31.823 -0.145 0.000 0.985 374 V HN 0.534 nan 8.190 nan 0.000 0.454 375 L N 8.435 129.643 121.223 -0.025 0.000 2.313 375 L HA 0.440 4.780 4.340 -0.000 0.000 0.282 375 L C -1.996 174.807 176.870 -0.113 0.000 1.092 375 L CA -1.727 53.072 54.840 -0.067 0.000 0.831 375 L CB 0.932 42.925 42.059 -0.110 0.000 1.159 375 L HN 0.454 nan 8.230 nan 0.000 0.442 376 P HA 0.131 nan 4.420 nan 0.000 0.279 376 P C -1.109 176.012 177.300 -0.298 0.000 1.239 376 P CA -0.242 62.794 63.100 -0.106 0.000 0.789 376 P CB 1.362 33.077 31.700 0.024 0.000 0.933 377 V N 2.939 122.669 119.914 -0.306 0.000 2.378 377 V HA 0.498 4.618 4.120 -0.000 0.000 0.288 377 V C 0.507 176.320 176.094 -0.469 0.000 1.016 377 V CA -0.823 61.230 62.300 -0.411 0.000 0.840 377 V CB 1.162 32.755 31.823 -0.383 0.000 0.994 377 V HN 0.692 nan 8.190 nan 0.000 0.431 378 A N 3.888 126.378 122.820 -0.551 0.000 2.260 378 A HA 0.804 5.124 4.320 -0.000 0.000 0.308 378 A C 0.081 177.437 177.584 -0.380 0.000 1.254 378 A CA -0.215 51.550 52.037 -0.453 0.000 0.874 378 A CB 0.909 19.582 19.000 -0.546 0.000 1.153 378 A HN 0.892 nan 8.150 nan 0.000 0.527 379 S N 1.750 117.297 115.700 -0.254 0.000 2.543 379 S HA 0.713 5.183 4.470 -0.000 0.000 0.273 379 S C -0.533 173.996 174.600 -0.117 0.000 1.152 379 S CA 0.391 58.465 58.200 -0.209 0.000 0.910 379 S CB 1.168 64.318 63.200 -0.083 0.000 1.105 379 S HN 2.551 nan 8.310 nan 0.000 0.465 380 G N 1.915 110.611 108.800 -0.174 0.000 2.594 380 G HA2 0.455 4.415 3.960 -0.000 0.000 0.422 380 G HA3 0.455 4.415 3.960 -0.000 0.000 0.422 380 G C 0.808 175.539 174.900 -0.282 0.000 1.190 380 G CA 0.307 45.306 45.100 -0.168 0.000 1.234 380 G HN 2.139 nan 8.290 nan 0.000 0.584 381 G N 0.137 108.783 108.800 -0.256 0.000 2.198 381 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.257 381 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.257 381 G C 0.530 175.346 174.900 -0.139 0.000 1.042 381 G CA 0.908 45.814 45.100 -0.324 0.000 0.791 381 G HN 2.229 nan 8.290 nan 0.000 0.502 382 I N -2.278 118.222 120.570 -0.116 0.000 2.648 382 I HA 0.985 5.155 4.170 -0.000 0.000 0.304 382 I C 0.100 176.415 176.117 0.330 0.000 1.009 382 I CA -1.442 59.842 61.300 -0.027 0.000 1.114 382 I CB 1.893 39.733 38.000 -0.266 0.000 1.293 382 I HN 0.344 nan 8.210 nan 0.000 0.449 383 H N 1.113 120.533 119.070 0.583 0.000 2.933 383 H HA 0.438 4.994 4.556 -0.000 0.000 0.310 383 H C 0.662 176.112 175.328 0.204 0.000 1.351 383 H CA -0.437 55.746 56.048 0.225 0.000 1.137 383 H CB 0.661 30.275 29.762 -0.246 0.000 1.853 383 H HN 0.384 nan 8.280 nan 0.000 0.539 384 V N -2.670 117.315 119.914 0.118 0.000 2.313 384 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 384 V C 1.391 177.464 176.094 -0.036 0.000 1.070 384 V CA 2.086 64.333 62.300 -0.088 0.000 1.057 384 V CB -1.316 30.370 31.823 -0.229 0.000 0.653 384 V HN 0.815 nan 8.190 nan 0.000 0.450 385 W N 0.339 121.742 121.300 0.171 0.000 2.465 385 W HA 0.019 4.679 4.660 -0.000 0.000 0.268 385 W C 2.486 178.956 176.519 -0.082 0.000 1.242 385 W CA 1.329 58.686 57.345 0.021 0.000 1.248 385 W CB -0.538 28.961 29.460 0.065 0.000 1.118 385 W HN 0.405 nan 8.180 nan 0.000 0.587 386 H N -1.312 117.823 119.070 0.108 0.000 2.548 386 H HA -0.036 4.520 4.556 -0.000 0.000 0.268 386 H C 2.015 177.419 175.328 0.126 0.000 0.975 386 H CA 0.707 56.797 56.048 0.071 0.000 1.195 386 H CB -0.022 29.729 29.762 -0.019 0.000 1.397 386 H HN -0.035 nan 8.280 nan 0.000 0.572 387 M N 1.195 120.936 119.600 0.235 0.000 2.089 387 M HA -0.114 4.366 4.480 -0.000 0.000 0.257 387 M C -1.002 175.391 176.300 0.156 0.000 1.071 387 M CA 1.817 57.228 55.300 0.185 0.000 1.096 387 M CB -0.538 32.104 32.600 0.069 0.000 1.330 387 M HN 0.116 nan 8.290 nan 0.000 0.403 388 P HA -0.052 nan 4.420 nan 0.000 0.216 388 P C 1.052 178.422 177.300 0.116 0.000 1.153 388 P CA 2.066 65.235 63.100 0.115 0.000 0.848 388 P CB -0.249 31.519 31.700 0.113 0.000 0.787 389 A N -0.738 122.164 122.820 0.136 0.000 1.930 389 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 389 A C 2.161 179.810 177.584 0.107 0.000 1.175 389 A CA 1.328 53.430 52.037 0.108 0.000 0.627 389 A CB -1.624 17.452 19.000 0.127 0.000 0.815 389 A HN 0.097 nan 8.150 nan 0.000 0.443 390 L N -0.759 120.566 121.223 0.171 0.000 2.056 390 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 390 L C 2.749 179.772 176.870 0.255 0.000 1.078 390 L CA 1.745 56.737 54.840 0.252 0.000 0.749 390 L CB -0.992 41.224 42.059 0.262 0.000 0.901 390 L HN 0.315 nan 8.230 nan 0.000 0.433 391 T N -1.078 113.584 114.554 0.180 0.000 2.788 391 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 391 T C 1.791 176.558 174.700 0.112 0.000 1.044 391 T CA 1.438 63.626 62.100 0.147 0.000 1.139 391 T CB -0.135 68.800 68.868 0.111 0.000 0.867 391 T HN 0.374 nan 8.240 nan 0.000 0.454 392 E N 0.528 120.775 120.200 0.077 0.000 2.158 392 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 392 E C 2.144 178.730 176.600 -0.025 0.000 0.982 392 E CA 0.551 56.970 56.400 0.032 0.000 0.823 392 E CB -0.082 29.634 29.700 0.027 0.000 0.766 392 E HN 0.493 nan 8.360 nan 0.000 0.468 393 I N -0.069 120.449 120.570 -0.087 0.000 2.193 393 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 393 I C 1.838 177.742 176.117 -0.354 0.000 1.084 393 I CA 1.122 62.239 61.300 -0.305 0.000 1.365 393 I CB -0.188 37.474 38.000 -0.563 0.000 1.064 393 I HN 0.066 nan 8.210 nan 0.000 0.410 394 F N 0.497 120.445 119.950 -0.004 0.000 2.530 394 F HA 0.327 4.854 4.527 0.000 0.000 0.292 394 F C 1.572 177.375 175.800 0.005 0.000 1.109 394 F CA 0.575 58.571 58.000 -0.006 0.000 1.450 394 F CB -0.746 38.247 39.000 -0.011 0.000 1.114 394 F HN 0.155 nan 8.300 nan 0.000 0.560 395 G N 0.726 109.635 108.800 0.183 0.000 2.741 395 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.222 395 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.222 395 G C 0.189 175.162 174.900 0.121 0.000 1.364 395 G CA -0.056 45.116 45.100 0.120 0.000 0.866 395 G HN 0.124 nan 8.290 nan 0.000 0.555 396 D N 0.473 120.927 120.400 0.089 0.000 2.123 396 D HA -0.033 4.607 4.640 -0.000 0.000 0.196 396 D C 1.114 177.452 176.300 0.064 0.000 0.992 396 D CA 1.686 55.731 54.000 0.075 0.000 0.833 396 D CB -0.196 40.648 40.800 0.073 0.000 0.954 396 D HN 0.448 nan 8.370 nan 0.000 0.455 397 D N 0.642 121.083 120.400 0.068 0.000 2.608 397 D HA 0.166 4.806 4.640 -0.000 0.000 0.224 397 D C 0.069 176.381 176.300 0.021 0.000 1.123 397 D CA 0.097 54.125 54.000 0.046 0.000 1.030 397 D CB -0.164 40.667 40.800 0.052 0.000 1.093 397 D HN 0.058 nan 8.370 nan 0.000 0.497 398 S N -1.394 114.291 115.700 -0.026 0.000 2.615 398 S HA 0.618 5.088 4.470 -0.000 0.000 0.269 398 S C -1.009 173.498 174.600 -0.155 0.000 1.161 398 S CA -0.926 57.191 58.200 -0.138 0.000 0.817 398 S CB 1.727 64.814 63.200 -0.189 0.000 1.131 398 S HN -0.078 nan 8.310 nan 0.000 0.467 399 V N 1.653 121.419 119.914 -0.247 0.000 2.444 399 V HA 0.496 4.616 4.120 -0.000 0.000 0.294 399 V C -0.826 175.138 176.094 -0.215 0.000 1.022 399 V CA -0.624 61.583 62.300 -0.155 0.000 0.850 399 V CB 1.194 32.922 31.823 -0.158 0.000 0.992 399 V HN 0.814 nan 8.190 nan 0.000 0.426 400 L N 5.138 126.288 121.223 -0.122 0.000 2.272 400 L HA 0.580 4.920 4.340 -0.000 0.000 0.289 400 L C -0.126 176.596 176.870 -0.246 0.000 1.032 400 L CA -0.334 54.380 54.840 -0.209 0.000 0.810 400 L CB 1.218 43.281 42.059 0.007 0.000 1.205 400 L HN 0.622 nan 8.230 nan 0.000 0.422 401 Q N 3.585 123.092 119.800 -0.489 0.000 2.316 401 Q HA 0.535 4.875 4.340 -0.000 0.000 0.264 401 Q C -1.467 174.125 176.000 -0.680 0.000 0.987 401 Q CA -0.473 55.102 55.803 -0.380 0.000 0.852 401 Q CB 2.424 31.034 28.738 -0.214 0.000 1.287 401 Q HN 0.411 nan 8.270 nan 0.000 0.448 402 F N 0.883 120.799 119.950 -0.058 0.000 2.552 402 F HA 0.346 4.873 4.527 -0.000 0.000 0.369 402 F C 0.887 176.654 175.800 -0.055 0.000 1.112 402 F CA -0.709 57.253 58.000 -0.063 0.000 1.129 402 F CB 1.175 40.139 39.000 -0.060 0.000 1.360 402 F HN 0.752 nan 8.300 nan 0.000 0.473 403 G N 1.459 110.286 108.800 0.045 0.000 2.572 403 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 403 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 403 G C 1.769 176.704 174.900 0.059 0.000 1.246 403 G CA 0.673 45.791 45.100 0.031 0.000 0.835 403 G HN 0.734 nan 8.290 nan 0.000 0.551 404 G N 0.680 109.507 108.800 0.045 0.000 2.422 404 G HA2 0.072 4.032 3.960 -0.000 0.000 0.218 404 G HA3 0.072 4.032 3.960 -0.000 0.000 0.218 404 G C 1.697 176.641 174.900 0.074 0.000 1.146 404 G CA 1.313 46.460 45.100 0.078 0.000 0.769 404 G HN 0.677 nan 8.290 nan 0.000 0.547 405 G N -0.694 108.087 108.800 -0.030 0.000 2.625 405 G HA2 0.115 4.075 3.960 -0.000 0.000 0.214 405 G HA3 0.115 4.075 3.960 -0.000 0.000 0.214 405 G C 1.426 176.380 174.900 0.091 0.000 1.132 405 G CA 1.604 46.585 45.100 -0.197 0.000 0.782 405 G HN 0.422 nan 8.290 nan 0.000 0.538 406 T N 0.103 114.759 114.554 0.170 0.000 3.138 406 T HA 0.093 4.443 4.350 -0.000 0.000 0.245 406 T C 1.798 176.613 174.700 0.192 0.000 0.982 406 T CA -0.140 62.058 62.100 0.163 0.000 1.134 406 T CB -0.012 68.908 68.868 0.087 0.000 1.032 406 T HN 0.047 nan 8.240 nan 0.000 0.442 407 L N 1.745 123.057 121.223 0.149 0.000 2.610 407 L HA 0.301 4.641 4.340 -0.000 0.000 0.232 407 L C 2.125 179.111 176.870 0.193 0.000 1.149 407 L CA 0.730 55.649 54.840 0.131 0.000 0.872 407 L CB -0.351 41.747 42.059 0.066 0.000 0.992 407 L HN 0.367 nan 8.230 nan 0.000 0.447 408 G N -3.192 105.799 108.800 0.319 0.000 3.126 408 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.224 408 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.224 408 G C 0.547 175.638 174.900 0.317 0.000 1.142 408 G CA -0.283 45.055 45.100 0.396 0.000 0.759 408 G HN 0.299 nan 8.290 nan 0.000 0.550 409 H N 2.118 121.326 119.070 0.229 0.000 2.928 409 H HA 0.081 4.637 4.556 -0.000 0.000 0.338 409 H C -1.042 174.250 175.328 -0.061 0.000 1.047 409 H CA -0.917 55.124 56.048 -0.010 0.000 1.435 409 H CB 2.063 31.838 29.762 0.023 0.000 1.428 409 H HN 0.029 nan 8.280 nan 0.000 0.590 410 P HA -0.115 nan 4.420 nan 0.000 0.225 410 P C 0.613 178.162 177.300 0.415 0.000 1.148 410 P CA 0.958 64.052 63.100 -0.009 0.000 0.779 410 P CB 0.120 31.717 31.700 -0.171 0.000 0.780 411 W N 0.529 122.015 121.300 0.309 0.000 3.220 411 W HA 0.501 5.161 4.660 -0.000 0.000 0.328 411 W C 1.075 177.645 176.519 0.085 0.000 1.205 411 W CA 0.465 57.916 57.345 0.176 0.000 1.773 411 W CB -0.483 29.079 29.460 0.170 0.000 1.086 411 W HN 0.057 nan 8.180 nan 0.000 0.622 412 G N 0.675 109.657 108.800 0.303 0.000 2.462 412 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.685 412 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.685 412 G C 0.553 175.490 174.900 0.061 0.000 1.295 412 G CA -0.268 44.918 45.100 0.143 0.000 0.941 412 G HN -0.070 nan 8.290 nan 0.000 0.554 413 N N -0.029 118.682 118.700 0.018 0.000 2.106 413 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 413 N C 2.764 178.222 175.510 -0.087 0.000 1.029 413 N CA 2.565 55.599 53.050 -0.026 0.000 0.848 413 N CB -0.668 37.797 38.487 -0.037 0.000 1.007 413 N HN 1.094 nan 8.380 nan 0.000 0.423 414 A N 1.387 124.148 122.820 -0.099 0.000 1.883 414 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 414 A C -0.181 177.319 177.584 -0.140 0.000 1.186 414 A CA 1.484 53.446 52.037 -0.125 0.000 0.624 414 A CB -1.534 17.393 19.000 -0.121 0.000 0.822 414 A HN 0.238 nan 8.150 nan 0.000 0.444 415 P HA -0.020 nan 4.420 nan 0.000 0.219 415 P C 1.667 178.581 177.300 -0.644 0.000 1.150 415 P CA 1.474 64.397 63.100 -0.295 0.000 0.814 415 P CB -0.270 31.344 31.700 -0.143 0.000 0.787 416 G N 0.256 108.696 108.800 -0.600 0.000 2.422 416 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 416 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 416 G C 1.597 176.388 174.900 -0.182 0.000 1.146 416 G CA 0.899 45.778 45.100 -0.368 0.000 0.769 416 G HN 0.298 nan 8.290 nan 0.000 0.547 417 A N 0.096 122.821 122.820 -0.160 0.000 1.897 417 A HA 0.155 4.475 4.320 -0.000 0.000 0.215 417 A C 2.577 180.080 177.584 -0.136 0.000 1.181 417 A CA 1.579 53.543 52.037 -0.121 0.000 0.620 417 A CB -0.579 18.361 19.000 -0.101 0.000 0.821 417 A HN 0.224 nan 8.150 nan 0.000 0.443 418 V N 0.085 119.912 119.914 -0.145 0.000 2.332 418 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 418 V C 3.054 179.065 176.094 -0.139 0.000 1.055 418 V CA 1.953 64.186 62.300 -0.113 0.000 1.038 418 V CB -1.231 30.539 31.823 -0.089 0.000 0.651 418 V HN 0.618 nan 8.190 nan 0.000 0.450 419 A N 0.480 123.188 122.820 -0.187 0.000 1.883 419 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 419 A C 2.032 179.484 177.584 -0.220 0.000 1.186 419 A CA 2.512 54.435 52.037 -0.190 0.000 0.624 419 A CB -0.871 18.061 19.000 -0.113 0.000 0.822 419 A HN 0.687 nan 8.150 nan 0.000 0.444 420 N N -1.205 117.342 118.700 -0.255 0.000 2.142 420 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 420 N C 1.951 177.318 175.510 -0.238 0.000 1.023 420 N CA 1.368 54.187 53.050 -0.386 0.000 0.852 420 N CB -0.151 38.004 38.487 -0.554 0.000 0.998 420 N HN 0.434 nan 8.380 nan 0.000 0.424 421 R N 1.127 121.537 120.500 -0.149 0.000 2.081 421 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 421 R C 1.711 177.985 176.300 -0.043 0.000 1.131 421 R CA 1.079 57.133 56.100 -0.077 0.000 0.960 421 R CB -0.753 29.514 30.300 -0.055 0.000 0.856 421 R HN 0.030 nan 8.270 nan 0.000 0.436 422 V N 0.828 120.711 119.914 -0.052 0.000 2.343 422 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 422 V C 2.355 178.421 176.094 -0.047 0.000 1.051 422 V CA 1.889 64.189 62.300 0.000 0.000 1.036 422 V CB -0.936 30.831 31.823 -0.094 0.000 0.654 422 V HN 0.544 nan 8.190 nan 0.000 0.451 423 A N -0.156 122.580 122.820 -0.140 0.000 1.883 423 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 423 A C 2.178 179.727 177.584 -0.059 0.000 1.186 423 A CA 2.253 54.203 52.037 -0.145 0.000 0.624 423 A CB -0.638 18.230 19.000 -0.219 0.000 0.822 423 A HN 0.452 nan 8.150 nan 0.000 0.444 424 L N 0.118 121.313 121.223 -0.047 0.000 2.017 424 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 424 L C 2.244 179.134 176.870 0.034 0.000 1.073 424 L CA 2.503 57.348 54.840 0.009 0.000 0.745 424 L CB -0.670 41.399 42.059 0.016 0.000 0.894 424 L HN 0.527 nan 8.230 nan 0.000 0.432 425 E N -0.534 119.690 120.200 0.040 0.000 2.150 425 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 425 E C 2.132 178.783 176.600 0.085 0.000 0.985 425 E CA 0.947 57.384 56.400 0.063 0.000 0.814 425 E CB -0.265 29.478 29.700 0.072 0.000 0.752 425 E HN 0.666 nan 8.360 nan 0.000 0.466 426 A N 0.897 123.779 122.820 0.102 0.000 1.902 426 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 426 A C 2.427 180.059 177.584 0.080 0.000 1.181 426 A CA 1.191 53.302 52.037 0.124 0.000 0.623 426 A CB -0.808 18.256 19.000 0.106 0.000 0.818 426 A HN 0.345 nan 8.150 nan 0.000 0.443 427 C N -1.431 117.904 119.300 0.058 0.000 2.440 427 C HA -0.017 4.443 4.460 -0.000 0.000 0.278 427 C C 2.743 177.769 174.990 0.060 0.000 1.295 427 C CA 0.900 59.953 59.018 0.058 0.000 1.738 427 C CB -1.166 26.609 27.740 0.059 0.000 1.987 427 C HN 0.452 nan 8.230 nan 0.000 0.492 428 V N 0.560 120.510 119.914 0.059 0.000 2.307 428 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 428 V C 2.538 178.663 176.094 0.050 0.000 1.045 428 V CA 2.200 64.533 62.300 0.055 0.000 1.024 428 V CB -0.846 31.009 31.823 0.052 0.000 0.651 428 V HN 0.620 nan 8.190 nan 0.000 0.449 429 Q N -0.146 119.686 119.800 0.053 0.000 2.061 429 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 429 Q C 2.263 178.290 176.000 0.045 0.000 0.984 429 Q CA 2.171 58.001 55.803 0.045 0.000 0.846 429 Q CB -0.303 28.464 28.738 0.048 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.490 124.343 122.820 0.054 0.000 1.883 430 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 430 A C 2.156 179.767 177.584 0.044 0.000 1.186 430 A CA 1.717 53.785 52.037 0.051 0.000 0.624 430 A CB -0.832 18.203 19.000 0.058 0.000 0.822 430 A HN 0.488 nan 8.150 nan 0.000 0.444 431 R N 0.109 120.637 120.500 0.046 0.000 2.083 431 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 431 R C 1.873 178.195 176.300 0.036 0.000 1.137 431 R CA 2.018 58.144 56.100 0.042 0.000 0.951 431 R CB -0.609 29.718 30.300 0.046 0.000 0.851 431 R HN 0.739 nan 8.270 nan 0.000 0.434 432 N N 0.033 118.754 118.700 0.036 0.000 2.223 432 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 432 N C 1.054 176.579 175.510 0.026 0.000 1.016 432 N CA 1.093 54.161 53.050 0.030 0.000 0.863 432 N CB 0.003 38.507 38.487 0.029 0.000 0.983 432 N HN 0.438 nan 8.380 nan 0.000 0.429 433 E N -0.392 119.824 120.200 0.027 0.000 2.502 433 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 433 E C 0.951 177.565 176.600 0.024 0.000 1.062 433 E CA 0.099 56.513 56.400 0.024 0.000 0.867 433 E CB 0.300 30.015 29.700 0.025 0.000 0.888 433 E HN 0.471 nan 8.360 nan 0.000 0.510 434 G N 1.654 110.469 108.800 0.025 0.000 2.179 434 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 434 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 434 G C 0.244 175.160 174.900 0.026 0.000 0.990 434 G CA -0.397 44.718 45.100 0.024 0.000 0.646 434 G HN 0.079 nan 8.290 nan 0.000 0.517 435 R N 0.727 121.245 120.500 0.031 0.000 2.641 435 R HA 0.306 4.646 4.340 -0.000 0.000 0.269 435 R C -0.635 175.685 176.300 0.034 0.000 1.074 435 R CA -0.324 55.797 56.100 0.034 0.000 1.133 435 R CB 0.556 30.880 30.300 0.040 0.000 1.029 435 R HN 0.227 nan 8.270 nan 0.000 0.488 436 D N 2.920 123.341 120.400 0.034 0.000 2.380 436 D HA 0.049 4.688 4.640 -0.000 0.000 0.230 436 D C 1.249 177.573 176.300 0.040 0.000 1.154 436 D CA -0.119 53.901 54.000 0.033 0.000 0.859 436 D CB 0.825 41.642 40.800 0.028 0.000 1.045 436 D HN 0.410 nan 8.370 nan 0.000 0.495 437 L N 3.249 124.497 121.223 0.043 0.000 2.079 437 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 437 L C 2.469 179.372 176.870 0.054 0.000 1.081 437 L CA 1.396 56.268 54.840 0.053 0.000 0.752 437 L CB -0.332 41.760 42.059 0.055 0.000 0.896 437 L HN 0.435 nan 8.230 nan 0.000 0.433 438 A N 0.004 122.849 122.820 0.042 0.000 1.877 438 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 438 A C 2.412 180.020 177.584 0.041 0.000 1.186 438 A CA 1.324 53.385 52.037 0.040 0.000 0.620 438 A CB -0.332 18.684 19.000 0.026 0.000 0.822 438 A HN 0.319 nan 8.150 nan 0.000 0.443 439 R N -0.372 120.150 120.500 0.036 0.000 2.100 439 R HA 0.009 4.349 4.340 -0.000 0.000 0.220 439 R C 1.191 177.517 176.300 0.043 0.000 1.091 439 R CA 1.257 57.377 56.100 0.034 0.000 0.986 439 R CB -0.222 30.094 30.300 0.027 0.000 0.888 439 R HN 0.657 nan 8.270 nan 0.000 0.444 440 E N 0.192 120.422 120.200 0.049 0.000 2.474 440 E HA 0.087 4.436 4.350 -0.000 0.000 0.195 440 E C 1.663 178.309 176.600 0.077 0.000 1.039 440 E CA 0.082 56.517 56.400 0.058 0.000 0.881 440 E CB 0.400 30.131 29.700 0.052 0.000 0.970 440 E HN 0.345 nan 8.360 nan 0.000 0.486 441 G N 2.594 111.446 108.800 0.086 0.000 2.553 441 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.218 441 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.218 441 G C 1.327 176.323 174.900 0.160 0.000 1.195 441 G CA 1.290 46.458 45.100 0.114 0.000 0.779 441 G HN 0.266 nan 8.290 nan 0.000 0.577 442 N N -0.319 118.494 118.700 0.189 0.000 2.223 442 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 442 N C 2.199 177.858 175.510 0.249 0.000 1.016 442 N CA 1.386 54.617 53.050 0.303 0.000 0.863 442 N CB -0.112 38.486 38.487 0.185 0.000 0.983 442 N HN 0.291 nan 8.380 nan 0.000 0.429 443 T N 0.925 115.565 114.554 0.143 0.000 2.857 443 T HA 0.039 4.389 4.350 -0.000 0.000 0.266 443 T C 1.959 176.712 174.700 0.088 0.000 1.048 443 T CA 0.562 62.726 62.100 0.107 0.000 1.139 443 T CB -0.050 68.865 68.868 0.077 0.000 0.874 443 T HN 0.160 nan 8.240 nan 0.000 0.455 444 I N 0.915 121.534 120.570 0.082 0.000 2.179 444 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 444 I C 2.185 178.312 176.117 0.017 0.000 1.088 444 I CA 0.926 62.263 61.300 0.061 0.000 1.357 444 I CB -0.328 37.710 38.000 0.063 0.000 1.051 444 I HN 0.162 nan 8.210 nan 0.000 0.409 445 I N 0.454 121.020 120.570 -0.007 0.000 2.142 445 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 445 I C 2.672 178.671 176.117 -0.197 0.000 1.078 445 I CA 1.495 62.694 61.300 -0.168 0.000 1.343 445 I CB -1.283 36.542 38.000 -0.292 0.000 1.046 445 I HN 0.215 nan 8.210 nan 0.000 0.405 446 R N 1.370 121.852 120.500 -0.030 0.000 2.091 446 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 446 R C 2.154 178.433 176.300 -0.035 0.000 1.136 446 R CA 1.562 57.672 56.100 0.018 0.000 0.959 446 R CB -0.391 29.995 30.300 0.143 0.000 0.856 446 R HN 0.446 nan 8.270 nan 0.000 0.437 447 E N -0.761 119.436 120.200 -0.004 0.000 2.077 447 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 447 E C 1.913 178.474 176.600 -0.065 0.000 0.989 447 E CA 1.287 57.702 56.400 0.025 0.000 0.800 447 E CB -0.221 29.535 29.700 0.092 0.000 0.746 447 E HN 0.458 nan 8.360 nan 0.000 0.452 448 A N 1.302 124.006 122.820 -0.194 0.000 1.933 448 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 448 A C 2.452 179.485 177.584 -0.918 0.000 1.175 448 A CA 2.052 53.698 52.037 -0.652 0.000 0.628 448 A CB -1.167 17.543 19.000 -0.485 0.000 0.814 448 A HN 0.419 nan 8.150 nan 0.000 0.444 449 T N -2.098 112.154 114.554 -0.504 0.000 2.897 449 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 449 T C 1.629 176.152 174.700 -0.296 0.000 1.084 449 T CA 1.434 63.297 62.100 -0.394 0.000 1.123 449 T CB -0.262 68.458 68.868 -0.247 0.000 0.865 449 T HN 0.347 nan 8.240 nan 0.000 0.496 450 K N 0.840 121.100 120.400 -0.233 0.000 2.211 450 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 450 K C 1.924 178.536 176.600 0.021 0.000 1.050 450 K CA 1.213 57.465 56.287 -0.058 0.000 0.945 450 K CB -0.285 32.243 32.500 0.046 0.000 0.732 450 K HN 0.882 nan 8.250 nan 0.000 0.451 451 W N -0.611 120.686 121.300 -0.005 0.000 2.870 451 W HA 0.363 5.023 4.660 -0.000 0.000 0.358 451 W C -0.037 176.483 176.519 0.001 0.000 1.043 451 W CA -0.467 56.879 57.345 0.001 0.000 1.692 451 W CB 0.039 29.498 29.460 -0.001 0.000 1.100 451 W HN -0.157 nan 8.180 nan 0.000 0.557 452 S N 2.544 117.997 115.700 -0.411 0.000 2.622 452 S HA 0.401 4.871 4.470 -0.000 0.000 0.283 452 S C -1.691 172.786 174.600 -0.206 0.000 1.197 452 S CA -1.232 56.777 58.200 -0.317 0.000 1.146 452 S CB 1.385 64.147 63.200 -0.731 0.000 1.007 452 S HN -0.316 nan 8.310 nan 0.000 0.478 453 P HA -0.110 nan 4.420 nan 0.000 0.216 453 P C 0.926 178.128 177.300 -0.162 0.000 1.150 453 P CA 1.179 64.303 63.100 0.040 0.000 0.843 453 P CB 0.222 32.093 31.700 0.287 0.000 0.787 454 E N -0.854 119.260 120.200 -0.144 0.000 2.077 454 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 454 E C 1.846 178.291 176.600 -0.258 0.000 0.989 454 E CA 0.846 57.073 56.400 -0.288 0.000 0.800 454 E CB -1.199 28.408 29.700 -0.154 0.000 0.746 454 E HN 0.129 nan 8.360 nan 0.000 0.452 455 L N 0.447 121.503 121.223 -0.278 0.000 2.056 455 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 455 L C 2.052 178.723 176.870 -0.331 0.000 1.078 455 L CA 1.934 56.587 54.840 -0.311 0.000 0.749 455 L CB -0.909 40.906 42.059 -0.408 0.000 0.901 455 L HN 0.107 nan 8.230 nan 0.000 0.433 456 A N -0.123 122.508 122.820 -0.315 0.000 1.892 456 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 456 A C 2.478 179.889 177.584 -0.288 0.000 1.188 456 A CA 2.343 54.226 52.037 -0.257 0.000 0.631 456 A CB -1.349 17.545 19.000 -0.177 0.000 0.822 456 A HN 0.606 nan 8.150 nan 0.000 0.447 457 A N -0.438 122.124 122.820 -0.431 0.000 1.902 457 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 457 A C 2.517 179.712 177.584 -0.648 0.000 1.181 457 A CA 2.210 53.888 52.037 -0.598 0.000 0.623 457 A CB -1.017 17.317 19.000 -1.110 0.000 0.818 457 A HN 1.129 nan 8.150 nan 0.000 0.443 458 A N -1.097 121.376 122.820 -0.579 0.000 1.902 458 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 458 A C 2.309 179.752 177.584 -0.236 0.000 1.181 458 A CA 1.630 53.401 52.037 -0.443 0.000 0.623 458 A CB -1.283 17.708 19.000 -0.014 0.000 0.818 458 A HN 0.585 nan 8.150 nan 0.000 0.443 459 C N -0.582 118.587 119.300 -0.217 0.000 2.429 459 C HA -0.103 4.356 4.460 -0.000 0.000 0.277 459 C C 2.657 177.743 174.990 0.160 0.000 1.262 459 C CA 1.202 60.187 59.018 -0.056 0.000 1.733 459 C CB -1.313 26.277 27.740 -0.251 0.000 2.010 459 C HN 0.694 nan 8.230 nan 0.000 0.483 460 E N 0.237 120.393 120.200 -0.073 0.000 2.033 460 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 460 E C 2.097 178.591 176.600 -0.176 0.000 1.011 460 E CA 1.718 58.058 56.400 -0.101 0.000 0.815 460 E CB -0.266 29.327 29.700 -0.179 0.000 0.755 460 E HN 0.475 nan 8.360 nan 0.000 0.451 461 V N 0.171 119.842 119.914 -0.405 0.000 2.407 461 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 461 V C 1.368 177.132 176.094 -0.550 0.000 1.055 461 V CA 1.315 63.224 62.300 -0.650 0.000 1.049 461 V CB -0.337 30.735 31.823 -1.252 0.000 0.662 461 V HN 0.435 nan 8.190 nan 0.000 0.455 462 W N -0.433 120.813 121.300 -0.090 0.000 2.991 462 W HA 0.340 5.000 4.660 -0.000 0.000 0.391 462 W C 1.829 178.297 176.519 -0.085 0.000 1.054 462 W CA -0.888 56.336 57.345 -0.202 0.000 1.856 462 W CB -0.295 28.808 29.460 -0.594 0.000 1.132 462 W HN 0.267 nan 8.180 nan 0.000 0.601 463 K N 1.456 121.971 120.400 0.190 0.000 2.097 463 K HA -0.227 4.093 4.320 -0.000 0.000 0.214 463 K C 0.739 177.155 176.600 -0.306 0.000 1.052 463 K CA 1.795 57.995 56.287 -0.146 0.000 0.932 463 K CB 0.238 32.675 32.500 -0.105 0.000 0.716 463 K HN -0.076 nan 8.250 nan 0.000 0.455 464 E N 0.527 120.638 120.200 -0.149 0.000 2.585 464 E HA 0.107 4.457 4.350 -0.000 0.000 0.206 464 E C -0.521 176.022 176.600 -0.095 0.000 1.007 464 E CA -0.113 56.197 56.400 -0.151 0.000 1.028 464 E CB 0.527 30.144 29.700 -0.139 0.000 1.087 464 E HN 0.207 nan 8.360 nan 0.000 0.455 465 I N 1.782 122.333 120.570 -0.032 0.000 2.301 465 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 465 I C 0.242 176.348 176.117 -0.020 0.000 1.046 465 I CA -0.357 60.923 61.300 -0.034 0.000 1.282 465 I CB 0.272 38.308 38.000 0.060 0.000 1.409 465 I HN -0.249 nan 8.210 nan 0.000 0.484 466 K N 5.600 125.867 120.400 -0.222 0.000 2.400 466 K HA 0.687 5.007 4.320 -0.000 0.000 0.246 466 K C -1.236 175.098 176.600 -0.444 0.000 0.995 466 K CA -0.366 55.837 56.287 -0.140 0.000 0.840 466 K CB 2.034 34.498 32.500 -0.060 0.000 1.293 466 K HN 0.174 nan 8.250 nan 0.000 0.445 467 F N 1.054 121.122 119.950 0.196 0.000 2.610 467 F HA 0.350 4.877 4.527 0.000 0.000 0.355 467 F C -0.688 175.220 175.800 0.181 0.000 1.140 467 F CA -0.475 57.662 58.000 0.228 0.000 1.037 467 F CB 1.682 40.824 39.000 0.236 0.000 1.287 467 F HN 0.313 nan 8.300 nan 0.000 0.457 468 E N 3.652 123.939 120.200 0.144 0.000 2.373 468 E HA 0.493 4.843 4.350 -0.000 0.000 0.251 468 E C -1.298 175.213 176.600 -0.149 0.000 0.923 468 E CA -0.358 56.075 56.400 0.054 0.000 0.798 468 E CB 1.693 31.378 29.700 -0.024 0.000 1.303 468 E HN 0.303 nan 8.360 nan 0.000 0.412 469 F N 1.158 121.161 119.950 0.088 0.000 2.631 469 F HA 0.548 5.075 4.527 0.000 0.000 0.328 469 F C -1.921 173.912 175.800 0.055 0.000 1.067 469 F CA -2.221 55.819 58.000 0.068 0.000 0.969 469 F CB 0.802 39.847 39.000 0.075 0.000 1.332 469 F HN 0.217 nan 8.300 nan 0.000 0.490 470 P HA 0.437 nan 4.420 nan 0.000 0.281 470 P C -1.197 176.191 177.300 0.147 0.000 1.252 470 P CA -0.414 62.778 63.100 0.154 0.000 0.778 470 P CB 0.757 32.532 31.700 0.124 0.000 0.895 471 A N 3.005 125.894 122.820 0.114 0.000 2.371 471 A HA 0.295 4.615 4.320 -0.000 0.000 0.257 471 A C 1.103 178.737 177.584 0.082 0.000 1.089 471 A CA -0.242 51.854 52.037 0.099 0.000 0.794 471 A CB 0.176 19.234 19.000 0.096 0.000 1.029 471 A HN 0.493 nan 8.150 nan 0.000 0.488 472 M N 0.357 119.999 119.600 0.071 0.000 2.394 472 M HA 0.081 4.561 4.480 -0.000 0.000 0.266 472 M C 0.122 176.468 176.300 0.076 0.000 1.098 472 M CA 0.902 56.239 55.300 0.062 0.000 1.149 472 M CB -1.028 31.597 32.600 0.041 0.000 1.369 472 M HN 0.808 nan 8.290 nan 0.000 0.450 473 D N 1.650 122.106 120.400 0.094 0.000 2.440 473 D HA 0.348 4.988 4.640 -0.000 0.000 0.239 473 D C -0.637 175.750 176.300 0.145 0.000 1.084 473 D CA -0.080 53.997 54.000 0.129 0.000 0.843 473 D CB 1.302 42.193 40.800 0.151 0.000 1.097 473 D HN 0.148 nan 8.370 nan 0.000 0.531 474 T N -0.356 114.274 114.554 0.127 0.000 2.883 474 T HA 0.625 4.975 4.350 -0.000 0.000 0.284 474 T C 0.360 175.125 174.700 0.108 0.000 1.041 474 T CA -0.810 61.355 62.100 0.109 0.000 1.007 474 T CB 0.744 69.659 68.868 0.078 0.000 1.220 474 T HN 0.090 nan 8.240 nan 0.000 0.552 475 V N 0.000 119.960 119.914 0.077 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.333 62.300 0.056 0.000 1.235 475 V CB 0.000 31.834 31.823 0.018 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556