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 8ruc_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS 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 0.000 177.594 177.584 0.016 0.000 1.274 9 A CA 0.000 52.044 52.037 0.012 0.000 0.836 9 A CB 0.000 19.004 19.000 0.007 0.000 0.831 10 S N -0.463 115.250 115.700 0.021 0.000 2.567 10 S HA 0.742 5.213 4.470 0.001 0.000 0.270 10 S C -0.746 173.874 174.600 0.034 0.000 1.152 10 S CA 0.134 58.352 58.200 0.030 0.000 0.835 10 S CB 1.392 64.616 63.200 0.040 0.000 1.115 10 S HN 2.182 nan 8.310 nan 0.000 0.459 11 V N 0.576 120.516 119.914 0.043 0.000 3.093 11 V HA 0.723 4.843 4.120 0.001 0.000 0.320 11 V C 0.124 176.262 176.094 0.073 0.000 1.093 11 V CA -0.778 61.549 62.300 0.045 0.000 1.016 11 V CB 0.910 32.754 31.823 0.035 0.000 1.096 11 V HN 0.953 nan 8.190 nan 0.000 0.452 12 E N 0.680 120.920 120.200 0.066 0.000 2.409 12 E HA 0.266 4.616 4.350 0.001 0.000 0.257 12 E C -1.091 175.601 176.600 0.153 0.000 1.150 12 E CA -0.213 56.243 56.400 0.095 0.000 0.942 12 E CB 0.790 30.520 29.700 0.050 0.000 0.979 12 E HN 0.645 nan 8.360 nan 0.000 0.447 13 F N 1.736 121.706 119.950 0.034 0.000 2.404 13 F HA 0.321 4.848 4.527 0.001 0.000 0.345 13 F C -0.412 175.405 175.800 0.027 0.000 1.110 13 F CA -0.479 57.551 58.000 0.050 0.000 1.130 13 F CB 0.783 39.843 39.000 0.101 0.000 1.129 13 F HN 0.075 nan 8.300 nan 0.000 0.500 14 K N 5.710 125.728 120.400 -0.638 0.000 2.579 14 K HA 0.642 4.962 4.320 0.001 0.000 0.250 14 K C -0.842 175.281 176.600 -0.794 0.000 0.952 14 K CA -0.762 55.123 56.287 -0.670 0.000 0.857 14 K CB 1.434 33.768 32.500 -0.277 0.000 1.123 14 K HN 0.892 nan 8.250 nan 0.000 0.433 15 A N 2.229 124.504 122.820 -0.908 0.000 2.466 15 A HA 0.610 4.930 4.320 0.001 0.000 0.238 15 A C 0.404 177.852 177.584 -0.227 0.000 1.074 15 A CA 0.925 52.693 52.037 -0.449 0.000 0.774 15 A CB 0.104 18.965 19.000 -0.231 0.000 1.015 15 A HN 0.952 nan 8.150 nan 0.000 0.498 16 G N -1.434 107.284 108.800 -0.137 0.000 2.335 16 G HA2 0.486 4.447 3.960 0.001 0.000 0.592 16 G HA3 0.486 4.447 3.960 0.001 0.000 0.592 16 G C -0.582 174.257 174.900 -0.101 0.000 1.442 16 G CA -0.213 44.829 45.100 -0.097 0.000 0.976 16 G HN 2.223 nan 8.290 nan 0.000 0.652 17 V N -1.520 118.358 119.914 -0.059 0.000 2.509 17 V HA 0.895 5.016 4.120 0.001 0.000 0.284 17 V C 0.147 176.205 176.094 -0.060 0.000 1.047 17 V CA -0.660 61.602 62.300 -0.063 0.000 0.952 17 V CB 1.382 33.229 31.823 0.039 0.000 0.988 17 V HN 0.855 nan 8.190 nan 0.000 0.469 18 K N 2.437 122.780 120.400 -0.095 0.000 2.395 18 K HA 0.478 4.799 4.320 0.001 0.000 0.247 18 K C -1.223 175.310 176.600 -0.111 0.000 0.973 18 K CA -0.943 55.301 56.287 -0.072 0.000 0.828 18 K CB 1.806 34.275 32.500 -0.051 0.000 1.272 18 K HN 0.749 nan 8.250 nan 0.000 0.439 19 D N 1.010 121.382 120.400 -0.048 0.000 2.414 19 D HA 0.001 4.642 4.640 0.001 0.000 0.242 19 D C 0.866 177.185 176.300 0.031 0.000 1.129 19 D CA 0.410 54.399 54.000 -0.019 0.000 0.885 19 D CB 0.447 41.269 40.800 0.036 0.000 1.198 19 D HN 0.434 nan 8.370 nan 0.000 0.437 20 Y N 1.251 121.609 120.300 0.098 0.000 2.274 20 Y HA -0.216 4.335 4.550 0.001 0.000 0.290 20 Y C 2.343 178.365 175.900 0.204 0.000 1.145 20 Y CA 1.126 59.325 58.100 0.165 0.000 1.203 20 Y CB -0.287 38.205 38.460 0.053 0.000 0.984 20 Y HN 0.463 nan 8.280 nan 0.000 0.533 21 K N 0.500 121.062 120.400 0.269 0.000 2.211 21 K HA -0.157 4.164 4.320 0.001 0.000 0.204 21 K C 1.622 178.340 176.600 0.197 0.000 1.047 21 K CA 1.668 58.087 56.287 0.221 0.000 0.935 21 K CB -0.733 31.831 32.500 0.108 0.000 0.728 21 K HN 0.345 nan 8.250 nan 0.000 0.452 22 L N 1.115 122.420 121.223 0.137 0.000 2.131 22 L HA -0.124 4.217 4.340 0.001 0.000 0.210 22 L C 1.750 178.636 176.870 0.027 0.000 1.092 22 L CA 1.592 56.476 54.840 0.074 0.000 0.759 22 L CB -0.588 41.497 42.059 0.042 0.000 0.903 22 L HN 0.379 nan 8.230 nan 0.000 0.435 23 T N -3.027 111.535 114.554 0.012 0.000 3.026 23 T HA 0.034 4.385 4.350 0.001 0.000 0.245 23 T C 1.222 175.701 174.700 -0.369 0.000 1.004 23 T CA 0.237 62.203 62.100 -0.223 0.000 1.069 23 T CB 0.047 68.681 68.868 -0.390 0.000 1.005 23 T HN 0.134 nan 8.240 nan 0.000 0.472 24 Y N -0.108 120.239 120.300 0.077 0.000 2.457 24 Y HA 0.373 4.923 4.550 0.001 0.000 0.263 24 Y C 0.203 176.156 175.900 0.089 0.000 1.164 24 Y CA -0.962 57.168 58.100 0.051 0.000 1.274 24 Y CB 0.245 38.729 38.460 0.040 0.000 1.097 24 Y HN 0.178 nan 8.280 nan 0.000 0.523 25 Y N 1.340 121.691 120.300 0.084 0.000 2.434 25 Y HA 0.417 4.968 4.550 0.001 0.000 0.341 25 Y C -0.435 175.488 175.900 0.038 0.000 0.965 25 Y CA -1.282 56.849 58.100 0.052 0.000 1.205 25 Y CB 0.720 39.202 38.460 0.036 0.000 1.121 25 Y HN -0.150 nan 8.280 nan 0.000 0.507 26 T N 9.188 123.553 114.554 -0.314 0.000 3.327 26 T HA 0.186 4.536 4.350 0.001 0.000 0.373 26 T C -2.052 172.510 174.700 -0.231 0.000 1.589 26 T CA -1.032 60.915 62.100 -0.255 0.000 1.497 26 T CB 0.829 69.630 68.868 -0.111 0.000 1.032 26 T HN 0.483 nan 8.240 nan 0.000 0.640 27 P HA -0.023 nan 4.420 nan 0.000 0.228 27 P C 0.628 177.927 177.300 -0.002 0.000 1.151 27 P CA 0.901 63.865 63.100 -0.226 0.000 0.770 27 P CB 0.478 31.985 31.700 -0.321 0.000 0.786 28 E N -1.506 118.692 120.200 -0.004 0.000 2.501 28 E HA 0.050 4.401 4.350 0.001 0.000 0.200 28 E C 0.086 176.728 176.600 0.071 0.000 1.016 28 E CA -0.727 55.693 56.400 0.032 0.000 0.921 28 E CB -0.546 29.156 29.700 0.004 0.000 1.034 28 E HN 0.332 nan 8.360 nan 0.000 0.468 29 Y N 2.279 122.566 120.300 -0.022 0.000 2.442 29 Y HA 0.095 4.645 4.550 0.001 0.000 0.330 29 Y C 0.021 175.872 175.900 -0.081 0.000 1.129 29 Y CA -0.293 57.779 58.100 -0.047 0.000 1.365 29 Y CB 0.536 38.974 38.460 -0.036 0.000 1.233 29 Y HN -0.176 nan 8.280 nan 0.000 0.529 30 E N 3.889 123.653 120.200 -0.726 0.000 2.134 30 E HA 0.205 4.555 4.350 0.001 0.000 0.278 30 E C -0.335 175.602 176.600 -1.105 0.000 0.959 30 E CA -0.737 55.272 56.400 -0.652 0.000 0.783 30 E CB 0.827 30.298 29.700 -0.382 0.000 1.095 30 E HN 0.727 nan 8.360 nan 0.000 0.399 31 T N 0.926 114.991 114.554 -0.816 0.000 2.926 31 T HA 0.232 4.582 4.350 0.001 0.000 0.307 31 T C 0.330 174.807 174.700 -0.372 0.000 1.059 31 T CA -0.454 61.276 62.100 -0.617 0.000 1.122 31 T CB 0.431 69.035 68.868 -0.440 0.000 0.972 31 T HN 0.248 nan 8.240 nan 0.000 0.545 32 L N 1.815 122.912 121.223 -0.210 0.000 2.375 32 L HA 0.364 4.705 4.340 0.001 0.000 0.268 32 L C 1.083 177.905 176.870 -0.079 0.000 1.058 32 L CA -1.057 53.712 54.840 -0.118 0.000 0.803 32 L CB 0.843 42.876 42.059 -0.043 0.000 1.212 32 L HN 0.670 nan 8.230 nan 0.000 0.451 33 D N -0.234 120.130 120.400 -0.060 0.000 2.371 33 D HA -0.089 4.551 4.640 0.001 0.000 0.221 33 D C 1.658 177.941 176.300 -0.029 0.000 0.986 33 D CA 1.169 55.142 54.000 -0.045 0.000 0.899 33 D CB 0.169 40.950 40.800 -0.032 0.000 0.902 33 D HN 0.714 nan 8.370 nan 0.000 0.530 34 T N -2.496 112.050 114.554 -0.014 0.000 3.060 34 T HA 0.042 4.392 4.350 0.001 0.000 0.249 34 T C 0.547 175.257 174.700 0.015 0.000 1.079 34 T CA -0.465 61.640 62.100 0.008 0.000 1.013 34 T CB 0.469 69.352 68.868 0.024 0.000 0.975 34 T HN -0.229 nan 8.240 nan 0.000 0.518 35 D N 1.500 121.908 120.400 0.012 0.000 2.341 35 D HA 0.401 5.042 4.640 0.001 0.000 0.245 35 D C -0.387 175.909 176.300 -0.007 0.000 1.106 35 D CA -0.561 53.468 54.000 0.048 0.000 0.905 35 D CB 0.817 41.653 40.800 0.060 0.000 1.202 35 D HN 0.142 nan 8.370 nan 0.000 0.426 36 I N 2.106 122.699 120.570 0.039 0.000 2.315 36 I HA 0.172 4.342 4.170 0.001 0.000 0.291 36 I C -0.109 176.054 176.117 0.077 0.000 1.006 36 I CA -0.204 61.049 61.300 -0.078 0.000 1.265 36 I CB 0.669 38.494 38.000 -0.292 0.000 1.387 36 I HN 0.068 nan 8.210 nan 0.000 0.475 37 L N 6.117 127.264 121.223 -0.127 0.000 2.325 37 L HA 0.874 5.215 4.340 0.001 0.000 0.278 37 L C 0.038 176.830 176.870 -0.130 0.000 1.023 37 L CA -0.707 54.075 54.840 -0.097 0.000 0.811 37 L CB 1.488 43.309 42.059 -0.396 0.000 1.249 37 L HN 0.655 nan 8.230 nan 0.000 0.431 38 A N 2.128 125.083 122.820 0.225 0.000 2.386 38 A HA 0.887 5.207 4.320 0.001 0.000 0.311 38 A C -0.773 176.943 177.584 0.219 0.000 1.068 38 A CA -0.556 51.572 52.037 0.152 0.000 0.743 38 A CB 1.775 20.857 19.000 0.135 0.000 1.258 38 A HN 0.745 nan 8.150 nan 0.000 0.429 39 A N 1.684 124.483 122.820 -0.035 0.000 2.285 39 A HA 0.727 5.048 4.320 0.001 0.000 0.310 39 A C -1.130 176.153 177.584 -0.501 0.000 1.266 39 A CA -0.278 51.524 52.037 -0.392 0.000 0.832 39 A CB -0.109 18.437 19.000 -0.757 0.000 1.163 39 A HN 0.613 nan 8.150 nan 0.000 0.499 40 F N 1.023 120.801 119.950 -0.287 0.000 2.450 40 F HA 0.539 5.066 4.527 0.001 0.000 0.332 40 F C 0.930 176.596 175.800 -0.223 0.000 1.093 40 F CA -0.401 57.466 58.000 -0.222 0.000 1.003 40 F CB 1.789 40.679 39.000 -0.183 0.000 1.151 40 F HN 0.584 nan 8.300 nan 0.000 0.474 41 R N 3.086 123.602 120.500 0.027 0.000 2.230 41 R HA 0.557 4.897 4.340 0.001 0.000 0.337 41 R C -1.752 174.564 176.300 0.025 0.000 1.063 41 R CA -0.277 55.828 56.100 0.009 0.000 0.935 41 R CB 0.453 30.757 30.300 0.008 0.000 1.121 41 R HN 0.548 nan 8.270 nan 0.000 0.486 42 V N 3.261 123.195 119.914 0.034 0.000 2.427 42 V HA 0.291 4.412 4.120 0.001 0.000 0.286 42 V C -0.142 175.994 176.094 0.070 0.000 1.034 42 V CA -0.530 61.775 62.300 0.009 0.000 0.893 42 V CB 1.848 33.653 31.823 -0.030 0.000 0.982 42 V HN 0.715 nan 8.190 nan 0.000 0.452 43 S N 6.494 122.220 115.700 0.044 0.000 2.532 43 S HA 0.430 4.901 4.470 0.001 0.000 0.256 43 S C -2.584 172.049 174.600 0.056 0.000 1.298 43 S CA -0.976 57.263 58.200 0.064 0.000 1.166 43 S CB 1.102 64.333 63.200 0.052 0.000 1.022 43 S HN 0.568 nan 8.310 nan 0.000 0.480 44 P HA 0.124 nan 4.420 nan 0.000 0.272 44 P C -0.088 177.239 177.300 0.045 0.000 1.230 44 P CA -0.459 62.666 63.100 0.041 0.000 0.788 44 P CB 0.487 32.206 31.700 0.033 0.000 0.949 45 Q N 1.497 121.318 119.800 0.034 0.000 2.417 45 Q HA 0.219 4.560 4.340 0.001 0.000 0.241 45 Q C -2.058 173.960 176.000 0.031 0.000 1.008 45 Q CA -1.552 54.270 55.803 0.032 0.000 0.901 45 Q CB -0.661 28.095 28.738 0.030 0.000 1.259 45 Q HN 0.311 nan 8.270 nan 0.000 0.489 46 P HA 0.028 nan 4.420 nan 0.000 0.264 46 P C 0.453 177.765 177.300 0.021 0.000 1.193 46 P CA 0.916 64.032 63.100 0.026 0.000 0.763 46 P CB 0.343 32.055 31.700 0.020 0.000 0.810 47 G N 1.448 110.259 108.800 0.019 0.000 2.213 47 G HA2 -0.198 3.763 3.960 0.001 0.000 0.236 47 G HA3 -0.198 3.763 3.960 0.001 0.000 0.236 47 G C -0.057 174.846 174.900 0.006 0.000 0.991 47 G CA -0.223 44.885 45.100 0.012 0.000 0.629 47 G HN 0.518 nan 8.290 nan 0.000 0.517 48 V N 3.025 122.942 119.914 0.005 0.000 2.368 48 V HA 0.451 4.572 4.120 0.001 0.000 0.266 48 V C -1.570 174.496 176.094 -0.046 0.000 1.045 48 V CA -1.446 60.849 62.300 -0.009 0.000 0.899 48 V CB 1.219 33.043 31.823 0.003 0.000 1.006 48 V HN 0.157 nan 8.190 nan 0.000 0.470 49 P HA 0.147 nan 4.420 nan 0.000 0.268 49 P C -1.775 175.385 177.300 -0.234 0.000 1.205 49 P CA -1.273 61.744 63.100 -0.138 0.000 0.771 49 P CB 0.241 31.865 31.700 -0.127 0.000 0.858 50 P HA -0.198 nan 4.420 nan 0.000 0.218 50 P C 0.846 177.867 177.300 -0.466 0.000 1.148 50 P CA 1.601 64.363 63.100 -0.563 0.000 0.822 50 P CB 0.234 31.243 31.700 -1.152 0.000 0.784 51 E N 0.076 119.976 120.200 -0.501 0.000 2.106 51 E HA -0.185 4.166 4.350 0.001 0.000 0.192 51 E C 2.120 178.477 176.600 -0.404 0.000 0.984 51 E CA 1.126 57.109 56.400 -0.695 0.000 0.806 51 E CB -0.695 28.457 29.700 -0.914 0.000 0.750 51 E HN 0.284 nan 8.360 nan 0.000 0.458 52 E N 0.574 120.627 120.200 -0.244 0.000 2.072 52 E HA -0.049 4.301 4.350 0.001 0.000 0.190 52 E C 1.875 178.402 176.600 -0.120 0.000 0.982 52 E CA 1.327 57.667 56.400 -0.100 0.000 0.803 52 E CB -0.355 29.325 29.700 -0.035 0.000 0.755 52 E HN 0.197 nan 8.360 nan 0.000 0.453 53 A N 0.147 122.866 122.820 -0.169 0.000 1.933 53 A HA -0.024 4.297 4.320 0.001 0.000 0.218 53 A C 2.426 179.848 177.584 -0.270 0.000 1.175 53 A CA 1.728 53.645 52.037 -0.199 0.000 0.628 53 A CB -1.226 17.677 19.000 -0.163 0.000 0.814 53 A HN 0.406 nan 8.150 nan 0.000 0.444 54 G N -0.729 107.923 108.800 -0.246 0.000 2.403 54 G HA2 0.084 4.045 3.960 0.001 0.000 0.216 54 G HA3 0.084 4.045 3.960 0.001 0.000 0.216 54 G C 1.684 176.469 174.900 -0.192 0.000 1.154 54 G CA 1.217 46.188 45.100 -0.216 0.000 0.784 54 G HN 0.746 nan 8.290 nan 0.000 0.538 55 A N 1.141 123.880 122.820 -0.136 0.000 1.930 55 A HA 0.365 4.685 4.320 0.001 0.000 0.217 55 A C 2.785 180.180 177.584 -0.315 0.000 1.175 55 A CA 1.973 53.983 52.037 -0.044 0.000 0.627 55 A CB -0.684 18.393 19.000 0.127 0.000 0.815 55 A HN 0.677 nan 8.150 nan 0.000 0.443 56 A N -0.425 122.094 122.820 -0.503 0.000 1.902 56 A HA -0.026 4.295 4.320 0.001 0.000 0.217 56 A C 2.225 179.206 177.584 -1.005 0.000 1.181 56 A CA 1.843 53.227 52.037 -1.088 0.000 0.623 56 A CB -0.956 17.540 19.000 -0.839 0.000 0.818 56 A HN 0.376 nan 8.150 nan 0.000 0.443 57 V N -0.196 119.280 119.914 -0.731 0.000 2.295 57 V HA -0.248 3.872 4.120 0.001 0.000 0.246 57 V C 3.058 178.850 176.094 -0.503 0.000 1.049 57 V CA 1.999 63.883 62.300 -0.693 0.000 1.024 57 V CB -1.221 30.139 31.823 -0.772 0.000 0.648 57 V HN 0.626 nan 8.190 nan 0.000 0.447 58 A N -0.132 122.453 122.820 -0.392 0.000 1.902 58 A HA -0.089 4.231 4.320 0.001 0.000 0.217 58 A C 2.427 179.800 177.584 -0.351 0.000 1.181 58 A CA 2.078 53.965 52.037 -0.250 0.000 0.623 58 A CB -0.812 18.115 19.000 -0.122 0.000 0.818 58 A HN 0.557 nan 8.150 nan 0.000 0.443 59 A N -0.189 122.199 122.820 -0.720 0.000 1.845 59 A HA -0.158 4.162 4.320 0.001 0.000 0.215 59 A C 1.802 179.043 177.584 -0.572 0.000 1.195 59 A CA 1.567 52.899 52.037 -1.175 0.000 0.616 59 A CB -0.497 17.680 19.000 -1.371 0.000 0.832 59 A HN 0.489 nan 8.150 nan 0.000 0.443 60 E N 0.437 120.330 120.200 -0.513 0.000 2.511 60 E HA -0.033 4.318 4.350 0.001 0.000 0.196 60 E C 1.080 177.619 176.600 -0.101 0.000 1.066 60 E CA 0.857 57.110 56.400 -0.245 0.000 0.871 60 E CB -0.132 29.398 29.700 -0.283 0.000 0.863 60 E HN 0.708 nan 8.360 nan 0.000 0.520 61 S N -1.139 114.518 115.700 -0.072 0.000 2.663 61 S HA 0.170 4.640 4.470 0.001 0.000 0.243 61 S C 1.227 175.927 174.600 0.167 0.000 1.009 61 S CA 0.141 58.393 58.200 0.086 0.000 0.988 61 S CB 0.391 63.703 63.200 0.188 0.000 0.896 61 S HN 0.144 nan 8.310 nan 0.000 0.502 62 S N 1.280 117.032 115.700 0.085 0.000 4.403 62 S HA 0.166 4.637 4.470 0.001 0.000 0.183 62 S C 1.264 175.894 174.600 0.049 0.000 1.070 62 S CA 0.603 58.869 58.200 0.111 0.000 1.145 62 S CB -0.153 63.168 63.200 0.202 0.000 1.585 62 S HN 0.582 nan 8.310 nan 0.000 0.634 63 T N -1.146 113.447 114.554 0.065 0.000 3.046 63 T HA 0.488 4.839 4.350 0.001 0.000 0.270 63 T C 0.758 175.513 174.700 0.091 0.000 0.920 63 T CA 0.424 62.574 62.100 0.083 0.000 0.874 63 T CB 0.245 69.208 68.868 0.159 0.000 1.214 63 T HN 0.753 nan 8.240 nan 0.000 0.536 64 G N 0.292 109.115 108.800 0.039 0.000 2.461 64 G HA2 0.587 4.547 3.960 0.001 0.000 0.329 64 G HA3 0.587 4.547 3.960 0.001 0.000 0.329 64 G C -0.958 174.012 174.900 0.117 0.000 1.170 64 G CA -0.316 44.839 45.100 0.092 0.000 0.935 64 G HN 0.295 nan 8.290 nan 0.000 0.492 65 T N -1.222 113.433 114.554 0.168 0.000 2.742 65 T HA 0.397 4.748 4.350 0.001 0.000 0.282 65 T C 0.824 175.669 174.700 0.242 0.000 1.025 65 T CA -0.445 61.794 62.100 0.231 0.000 1.020 65 T CB 0.850 69.797 68.868 0.131 0.000 1.317 65 T HN 0.697 nan 8.240 nan 0.000 0.538 66 W N 0.921 122.327 121.300 0.177 0.000 2.468 66 W HA 0.204 4.864 4.660 0.001 0.000 0.262 66 W C 0.315 176.812 176.519 -0.038 0.000 1.241 66 W CA 0.749 58.138 57.345 0.074 0.000 1.232 66 W CB -1.163 28.359 29.460 0.104 0.000 1.124 66 W HN 0.550 nan 8.180 nan 0.000 0.597 67 T N 0.700 114.789 114.554 -0.777 0.000 2.883 67 T HA 0.336 4.687 4.350 0.001 0.000 0.296 67 T C -0.466 174.008 174.700 -0.376 0.000 1.117 67 T CA -0.376 61.301 62.100 -0.705 0.000 1.006 67 T CB 1.826 69.915 68.868 -1.299 0.000 1.191 67 T HN -0.215 nan 8.240 nan 0.000 0.508 68 T N 2.456 116.894 114.554 -0.192 0.000 2.870 68 T HA 0.467 4.818 4.350 0.001 0.000 0.300 68 T C 0.064 174.830 174.700 0.109 0.000 0.989 68 T CA -0.349 61.746 62.100 -0.008 0.000 1.139 68 T CB 0.184 69.088 68.868 0.059 0.000 0.920 68 T HN 0.667 nan 8.240 nan 0.000 0.537 69 V N 3.087 123.035 119.914 0.057 0.000 2.604 69 V HA 0.470 4.590 4.120 0.001 0.000 0.305 69 V C 1.140 177.098 176.094 -0.226 0.000 1.043 69 V CA -1.215 61.040 62.300 -0.074 0.000 0.888 69 V CB 1.394 33.078 31.823 -0.231 0.000 0.995 69 V HN 1.050 nan 8.190 nan 0.000 0.429 70 W N 2.874 123.758 121.300 -0.692 0.000 2.392 70 W HA -0.139 4.522 4.660 0.001 0.000 0.279 70 W C 1.420 177.717 176.519 -0.371 0.000 1.225 70 W CA 1.697 58.492 57.345 -0.918 0.000 1.233 70 W CB -1.737 26.862 29.460 -1.436 0.000 1.122 70 W HN 0.773 nan 8.180 nan 0.000 0.561 71 T N -0.779 113.059 114.554 -1.192 0.000 2.929 71 T HA -0.237 4.114 4.350 0.001 0.000 0.271 71 T C 1.101 175.554 174.700 -0.411 0.000 1.085 71 T CA 1.696 63.189 62.100 -1.013 0.000 1.125 71 T CB -0.651 67.582 68.868 -1.058 0.000 0.874 71 T HN -0.066 nan 8.240 nan 0.000 0.494 72 D N 1.977 122.218 120.400 -0.265 0.000 2.182 72 D HA -0.022 4.618 4.640 0.001 0.000 0.201 72 D C 2.314 178.582 176.300 -0.054 0.000 0.986 72 D CA 1.307 55.240 54.000 -0.113 0.000 0.847 72 D CB -0.915 39.859 40.800 -0.043 0.000 0.942 72 D HN 0.603 nan 8.370 nan 0.000 0.467 73 G N -0.031 108.751 108.800 -0.030 0.000 2.559 73 G HA2 -0.134 3.826 3.960 0.001 0.000 0.216 73 G HA3 -0.134 3.826 3.960 0.001 0.000 0.216 73 G C 1.514 176.432 174.900 0.030 0.000 1.126 73 G CA 0.069 45.189 45.100 0.033 0.000 0.778 73 G HN 0.285 nan 8.290 nan 0.000 0.543 74 L N 0.461 121.676 121.223 -0.014 0.000 2.418 74 L HA 0.135 4.475 4.340 0.001 0.000 0.218 74 L C 1.237 178.108 176.870 0.002 0.000 1.125 74 L CA 0.451 55.290 54.840 -0.002 0.000 0.835 74 L CB -0.218 41.813 42.059 -0.047 0.000 0.953 74 L HN 0.125 nan 8.230 nan 0.000 0.454 75 T N -2.168 112.387 114.554 0.002 0.000 2.804 75 T HA 0.217 4.568 4.350 0.001 0.000 0.272 75 T C -0.241 174.508 174.700 0.081 0.000 0.986 75 T CA -0.585 61.548 62.100 0.056 0.000 0.999 75 T CB 1.390 70.292 68.868 0.057 0.000 1.307 75 T HN -0.164 nan 8.240 nan 0.000 0.586 76 N N 1.040 119.827 118.700 0.145 0.000 2.936 76 N HA 0.180 4.920 4.740 0.001 0.000 0.243 76 N C 0.549 176.122 175.510 0.106 0.000 1.149 76 N CA -0.507 52.589 53.050 0.076 0.000 0.914 76 N CB 0.148 38.646 38.487 0.019 0.000 1.179 76 N HN 0.481 nan 8.380 nan 0.000 0.502 77 L N 1.865 123.139 121.223 0.086 0.000 2.129 77 L HA -0.152 4.188 4.340 0.001 0.000 0.212 77 L C 1.216 178.093 176.870 0.011 0.000 1.087 77 L CA 1.701 56.591 54.840 0.082 0.000 0.757 77 L CB -0.107 41.963 42.059 0.019 0.000 0.896 77 L HN 0.398 nan 8.230 nan 0.000 0.434 78 D N -0.636 119.736 120.400 -0.046 0.000 2.178 78 D HA -0.192 4.448 4.640 0.001 0.000 0.201 78 D C 2.128 178.354 176.300 -0.124 0.000 0.980 78 D CA 1.350 55.293 54.000 -0.094 0.000 0.842 78 D CB -0.102 40.649 40.800 -0.083 0.000 0.948 78 D HN 0.545 nan 8.370 nan 0.000 0.472 79 R N -0.930 119.462 120.500 -0.180 0.000 2.300 79 R HA 0.020 4.361 4.340 0.001 0.000 0.199 79 R C 0.873 176.932 176.300 -0.402 0.000 0.920 79 R CA 0.502 56.416 56.100 -0.311 0.000 1.046 79 R CB -0.141 29.910 30.300 -0.414 0.000 0.984 79 R HN 0.186 nan 8.270 nan 0.000 0.493 80 Y N 1.895 122.177 120.300 -0.030 0.000 2.483 80 Y HA 0.205 4.755 4.550 0.001 0.000 0.258 80 Y C 0.285 176.184 175.900 -0.001 0.000 1.083 80 Y CA -0.665 57.423 58.100 -0.020 0.000 1.283 80 Y CB 0.438 38.884 38.460 -0.023 0.000 1.178 80 Y HN 0.001 nan 8.280 nan 0.000 0.515 81 K N 0.984 121.457 120.400 0.121 0.000 2.355 81 K HA 0.386 4.706 4.320 0.001 0.000 0.270 81 K C 0.620 177.270 176.600 0.083 0.000 1.003 81 K CA -0.013 56.362 56.287 0.147 0.000 0.957 81 K CB 0.639 33.172 32.500 0.055 0.000 0.939 81 K HN 0.109 nan 8.250 nan 0.000 0.482 82 G N 2.152 111.041 108.800 0.148 0.000 2.503 82 G HA2 0.304 4.264 3.960 0.001 0.000 0.257 82 G HA3 0.304 4.264 3.960 0.001 0.000 0.257 82 G C -0.852 174.042 174.900 -0.010 0.000 1.214 82 G CA -0.940 44.116 45.100 -0.074 0.000 0.839 82 G HN 0.626 nan 8.290 nan 0.000 0.559 83 R N 0.143 120.561 120.500 -0.136 0.000 2.538 83 R HA 0.320 4.660 4.340 0.001 0.000 0.292 83 R C -1.146 175.207 176.300 0.089 0.000 1.008 83 R CA -0.638 55.434 56.100 -0.047 0.000 0.896 83 R CB 1.903 32.039 30.300 -0.273 0.000 1.187 83 R HN 0.526 nan 8.270 nan 0.000 0.440 84 C N 5.181 124.563 119.300 0.135 0.000 2.322 84 C HA 0.267 4.727 4.460 0.001 0.000 0.343 84 C C 1.030 176.150 174.990 0.215 0.000 1.190 84 C CA -0.542 58.581 59.018 0.176 0.000 1.704 84 C CB -1.193 26.665 27.740 0.197 0.000 2.293 84 C HN 0.998 nan 8.230 nan 0.000 0.523 85 Y N 2.873 123.291 120.300 0.196 0.000 2.478 85 Y HA 0.442 4.993 4.550 0.001 0.000 0.261 85 Y C 0.822 176.872 175.900 0.251 0.000 1.127 85 Y CA 0.001 58.206 58.100 0.175 0.000 1.288 85 Y CB -0.440 38.179 38.460 0.266 0.000 1.084 85 Y HN 0.771 nan 8.280 nan 0.000 0.530 86 H N 0.102 119.062 119.070 -0.183 0.000 3.085 86 H HA 0.558 5.115 4.556 0.001 0.000 0.356 86 H C -2.005 173.407 175.328 0.139 0.000 1.178 86 H CA -0.984 55.041 56.048 -0.040 0.000 1.214 86 H CB 2.047 31.662 29.762 -0.245 0.000 1.881 86 H HN 0.134 nan 8.280 nan 0.000 0.538 87 I N 3.755 124.092 120.570 -0.389 0.000 2.619 87 I HA 0.227 4.397 4.170 0.001 0.000 0.292 87 I C -0.960 175.008 176.117 -0.249 0.000 1.100 87 I CA -0.578 60.630 61.300 -0.153 0.000 1.043 87 I CB 2.409 40.345 38.000 -0.107 0.000 1.239 87 I HN 0.556 nan 8.210 nan 0.000 0.420 88 E N 5.906 126.147 120.200 0.068 0.000 2.308 88 E HA 0.588 4.938 4.350 0.001 0.000 0.275 88 E C -2.979 173.755 176.600 0.224 0.000 0.890 88 E CA -2.227 54.259 56.400 0.145 0.000 0.754 88 E CB 2.291 32.146 29.700 0.258 0.000 1.207 88 E HN 0.108 nan 8.360 nan 0.000 0.426 89 P HA 0.039 nan 4.420 nan 0.000 0.272 89 P C -0.668 176.614 177.300 -0.030 0.000 1.223 89 P CA -0.455 62.655 63.100 0.017 0.000 0.784 89 P CB 0.686 32.393 31.700 0.012 0.000 0.923 90 V N 2.044 121.876 119.914 -0.138 0.000 2.439 90 V HA 0.442 4.563 4.120 0.001 0.000 0.282 90 V C 0.651 176.705 176.094 -0.066 0.000 1.039 90 V CA -0.655 61.606 62.300 -0.065 0.000 0.913 90 V CB 0.752 32.532 31.823 -0.072 0.000 0.983 90 V HN 0.680 nan 8.190 nan 0.000 0.460 91 A N 3.759 126.565 122.820 -0.024 0.000 2.445 91 A HA 0.534 4.854 4.320 0.001 0.000 0.242 91 A C 1.389 178.958 177.584 -0.024 0.000 1.075 91 A CA 0.397 52.422 52.037 -0.020 0.000 0.777 91 A CB -0.219 18.778 19.000 -0.004 0.000 1.013 91 A HN 2.170 nan 8.150 nan 0.000 0.493 92 G N 0.335 109.121 108.800 -0.023 0.000 2.390 92 G HA2 -0.080 3.880 3.960 0.001 0.000 0.299 92 G HA3 -0.080 3.880 3.960 0.001 0.000 0.299 92 G C -0.123 174.761 174.900 -0.026 0.000 1.002 92 G CA 1.104 46.193 45.100 -0.019 0.000 0.979 92 G HN 1.140 nan 8.290 nan 0.000 0.513 93 E N -0.538 119.633 120.200 -0.049 0.000 2.321 93 E HA 0.492 4.843 4.350 0.001 0.000 0.278 93 E C -0.661 175.886 176.600 -0.089 0.000 0.902 93 E CA -0.825 55.538 56.400 -0.062 0.000 0.758 93 E CB 0.942 30.599 29.700 -0.072 0.000 1.213 93 E HN 0.068 nan 8.360 nan 0.000 0.426 94 E N 2.829 122.990 120.200 -0.066 0.000 2.223 94 E HA 0.139 4.490 4.350 0.001 0.000 0.282 94 E C -0.394 176.154 176.600 -0.087 0.000 1.046 94 E CA -0.173 56.189 56.400 -0.063 0.000 0.857 94 E CB 0.608 30.292 29.700 -0.028 0.000 1.055 94 E HN 0.607 nan 8.360 nan 0.000 0.409 95 N N 3.141 121.769 118.700 -0.120 0.000 2.686 95 N HA -0.266 4.474 4.740 0.001 0.000 0.261 95 N C -0.990 174.422 175.510 -0.163 0.000 1.001 95 N CA 0.859 53.851 53.050 -0.097 0.000 0.764 95 N CB -0.573 37.940 38.487 0.042 0.000 0.898 95 N HN 0.576 nan 8.380 nan 0.000 0.544 96 Q N 0.549 120.068 119.800 -0.469 0.000 2.359 96 Q HA 0.575 4.915 4.340 0.001 0.000 0.274 96 Q C -1.420 174.199 176.000 -0.636 0.000 1.074 96 Q CA -0.703 54.912 55.803 -0.313 0.000 0.810 96 Q CB 1.236 29.885 28.738 -0.149 0.000 1.342 96 Q HN 0.294 nan 8.270 nan 0.000 0.427 97 Y N 1.064 121.358 120.300 -0.009 0.000 2.615 97 Y HA 0.513 5.063 4.550 0.001 0.000 0.341 97 Y C -0.553 175.340 175.900 -0.010 0.000 1.089 97 Y CA -1.103 56.993 58.100 -0.007 0.000 1.049 97 Y CB 1.428 39.871 38.460 -0.029 0.000 1.296 97 Y HN 0.446 nan 8.280 nan 0.000 0.470 98 I N 2.060 122.730 120.570 0.166 0.000 2.328 98 I HA 0.275 4.445 4.170 0.001 0.000 0.287 98 I C -0.808 175.332 176.117 0.037 0.000 1.012 98 I CA -0.742 60.579 61.300 0.035 0.000 1.195 98 I CB 0.501 38.523 38.000 0.038 0.000 1.350 98 I HN 0.574 nan 8.210 nan 0.000 0.464 99 C N 7.034 126.324 119.300 -0.018 0.000 2.303 99 C HA 0.479 4.939 4.460 0.001 0.000 0.326 99 C C -0.091 174.893 174.990 -0.010 0.000 1.285 99 C CA -0.666 58.373 59.018 0.035 0.000 1.675 99 C CB 0.100 27.843 27.740 0.005 0.000 2.289 99 C HN 0.494 nan 8.230 nan 0.000 0.512 100 Y N 1.984 122.271 120.300 -0.021 0.000 2.326 100 Y HA 0.546 5.097 4.550 0.001 0.000 0.337 100 Y C 0.303 176.114 175.900 -0.148 0.000 1.023 100 Y CA -0.332 57.705 58.100 -0.104 0.000 1.143 100 Y CB 0.889 39.079 38.460 -0.449 0.000 1.183 100 Y HN 0.404 nan 8.280 nan 0.000 0.485 101 V N 3.045 123.149 119.914 0.317 0.000 2.604 101 V HA 0.813 4.933 4.120 0.001 0.000 0.305 101 V C -0.292 175.995 176.094 0.321 0.000 1.043 101 V CA -1.102 61.355 62.300 0.261 0.000 0.888 101 V CB 1.621 33.525 31.823 0.136 0.000 0.995 101 V HN 0.846 nan 8.190 nan 0.000 0.429 102 A N 4.009 126.954 122.820 0.208 0.000 2.317 102 A HA 0.864 5.185 4.320 0.001 0.000 0.327 102 A C -1.481 176.005 177.584 -0.165 0.000 1.178 102 A CA -0.387 51.720 52.037 0.118 0.000 0.817 102 A CB 0.658 19.752 19.000 0.157 0.000 1.189 102 A HN 0.744 nan 8.150 nan 0.000 0.489 103 Y N 2.246 122.666 120.300 0.199 0.000 2.331 103 Y HA 0.426 4.977 4.550 0.001 0.000 0.334 103 Y C -2.360 173.676 175.900 0.227 0.000 0.960 103 Y CA -2.348 55.891 58.100 0.233 0.000 1.130 103 Y CB 1.816 40.535 38.460 0.432 0.000 1.164 103 Y HN 0.496 nan 8.280 nan 0.000 0.458 104 P HA -0.041 nan 4.420 nan 0.000 0.269 104 P C 0.793 178.243 177.300 0.250 0.000 1.209 104 P CA -0.208 63.000 63.100 0.181 0.000 0.776 104 P CB 0.964 32.714 31.700 0.084 0.000 0.876 105 L N 2.882 124.214 121.223 0.182 0.000 2.081 105 L HA -0.213 4.127 4.340 0.001 0.000 0.212 105 L C 1.265 178.244 176.870 0.182 0.000 1.080 105 L CA 2.104 57.053 54.840 0.181 0.000 0.754 105 L CB -1.179 40.938 42.059 0.098 0.000 0.893 105 L HN 0.258 nan 8.230 nan 0.000 0.433 106 D N -0.641 119.834 120.400 0.125 0.000 2.309 106 D HA -0.149 4.492 4.640 0.001 0.000 0.212 106 D C 2.137 178.456 176.300 0.032 0.000 0.968 106 D CA 0.963 55.035 54.000 0.120 0.000 0.882 106 D CB -0.134 40.794 40.800 0.214 0.000 0.918 106 D HN 0.408 nan 8.370 nan 0.000 0.503 107 L N -0.770 120.372 121.223 -0.134 0.000 2.478 107 L HA 0.043 4.383 4.340 0.001 0.000 0.223 107 L C 0.083 176.513 176.870 -0.734 0.000 1.140 107 L CA 0.277 54.827 54.840 -0.483 0.000 0.842 107 L CB -0.120 41.498 42.059 -0.734 0.000 0.953 107 L HN -0.100 nan 8.230 nan 0.000 0.452 108 F N -0.498 119.402 119.950 -0.085 0.000 2.480 108 F HA 0.326 4.853 4.527 0.001 0.000 0.329 108 F C 0.605 176.410 175.800 0.008 0.000 1.091 108 F CA -1.111 56.824 58.000 -0.108 0.000 0.972 108 F CB 1.063 39.823 39.000 -0.400 0.000 1.150 108 F HN -0.193 nan 8.300 nan 0.000 0.467 109 E N 1.678 122.018 120.200 0.233 0.000 2.289 109 E HA 0.154 4.505 4.350 0.001 0.000 0.278 109 E C -0.798 175.934 176.600 0.221 0.000 1.032 109 E CA -0.615 55.884 56.400 0.165 0.000 0.854 109 E CB 0.635 30.390 29.700 0.092 0.000 1.046 109 E HN 0.520 nan 8.360 nan 0.000 0.409 110 E N 2.240 122.511 120.200 0.117 0.000 2.452 110 E HA 0.155 4.505 4.350 0.001 0.000 0.261 110 E C 0.946 177.334 176.600 -0.352 0.000 0.987 110 E CA 1.266 57.637 56.400 -0.049 0.000 0.926 110 E CB 0.508 30.176 29.700 -0.054 0.000 0.934 110 E HN 0.806 nan 8.360 nan 0.000 0.452 111 G N 2.446 110.650 108.800 -0.993 0.000 2.186 111 G HA2 -0.351 3.610 3.960 0.001 0.000 0.266 111 G HA3 -0.351 3.610 3.960 0.001 0.000 0.266 111 G C 0.371 174.838 174.900 -0.721 0.000 0.982 111 G CA 0.690 44.987 45.100 -1.338 0.000 0.670 111 G HN 0.528 nan 8.290 nan 0.000 0.533 112 S N -0.549 114.955 115.700 -0.327 0.000 2.532 112 S HA 0.531 5.002 4.470 0.001 0.000 0.318 112 S C 1.454 176.153 174.600 0.165 0.000 1.083 112 S CA 0.052 58.269 58.200 0.029 0.000 1.131 112 S CB 1.278 64.502 63.200 0.041 0.000 0.973 112 S HN 0.488 nan 8.310 nan 0.000 0.468 113 V N 4.854 124.834 119.914 0.111 0.000 2.515 113 V HA -0.108 4.012 4.120 0.001 0.000 0.250 113 V C 2.549 178.426 176.094 -0.360 0.000 1.058 113 V CA 2.299 64.415 62.300 -0.306 0.000 1.064 113 V CB -0.912 30.472 31.823 -0.732 0.000 0.675 113 V HN 0.829 nan 8.190 nan 0.000 0.461 114 T N 0.079 114.568 114.554 -0.109 0.000 2.720 114 T HA -0.245 4.105 4.350 0.001 0.000 0.268 114 T C 1.919 176.665 174.700 0.076 0.000 1.037 114 T CA 1.949 64.073 62.100 0.041 0.000 1.144 114 T CB -0.446 68.494 68.868 0.119 0.000 0.864 114 T HN 0.577 nan 8.240 nan 0.000 0.444 115 N N 0.515 119.266 118.700 0.086 0.000 2.142 115 N HA -0.065 4.676 4.740 0.001 0.000 0.186 115 N C 2.126 177.747 175.510 0.184 0.000 1.023 115 N CA 1.051 54.178 53.050 0.127 0.000 0.852 115 N CB -0.208 38.363 38.487 0.141 0.000 0.998 115 N HN 0.394 nan 8.380 nan 0.000 0.424 116 M N -0.137 119.569 119.600 0.178 0.000 2.080 116 M HA -0.184 4.297 4.480 0.001 0.000 0.260 116 M C 1.418 177.840 176.300 0.203 0.000 1.068 116 M CA 1.632 57.044 55.300 0.185 0.000 1.109 116 M CB -0.157 32.397 32.600 -0.077 0.000 1.342 116 M HN 0.032 nan 8.290 nan 0.000 0.405 117 F N 0.402 120.357 119.950 0.010 0.000 2.234 117 F HA -0.098 4.430 4.527 0.001 0.000 0.299 117 F C 2.576 178.398 175.800 0.035 0.000 1.087 117 F CA 1.432 59.428 58.000 -0.006 0.000 1.340 117 F CB -1.644 37.330 39.000 -0.043 0.000 1.031 117 F HN 0.194 nan 8.300 nan 0.000 0.500 118 T N -0.966 113.731 114.554 0.239 0.000 2.759 118 T HA -0.178 4.172 4.350 0.001 0.000 0.269 118 T C 2.411 177.185 174.700 0.125 0.000 1.042 118 T CA 1.767 63.958 62.100 0.152 0.000 1.140 118 T CB -0.321 68.616 68.868 0.115 0.000 0.864 118 T HN 0.147 nan 8.240 nan 0.000 0.455 119 S N 0.506 116.278 115.700 0.119 0.000 2.325 119 S HA 0.120 4.590 4.470 0.001 0.000 0.214 119 S C 2.028 176.682 174.600 0.089 0.000 1.031 119 S CA 0.662 58.899 58.200 0.062 0.000 0.972 119 S CB -0.277 62.908 63.200 -0.025 0.000 0.908 119 S HN 0.398 nan 8.310 nan 0.000 0.453 120 I N 0.824 121.452 120.570 0.096 0.000 2.394 120 I HA -0.052 4.118 4.170 0.001 0.000 0.251 120 I C 1.146 177.473 176.117 0.351 0.000 1.136 120 I CA 0.953 62.346 61.300 0.155 0.000 1.425 120 I CB 0.023 38.070 38.000 0.077 0.000 1.079 120 I HN 0.138 nan 8.210 nan 0.000 0.425 121 V N 0.082 120.150 119.914 0.257 0.000 3.330 121 V HA 0.234 4.354 4.120 0.001 0.000 0.309 121 V C 1.837 178.017 176.094 0.145 0.000 1.481 121 V CA 0.536 62.983 62.300 0.245 0.000 1.068 121 V CB 0.498 32.261 31.823 -0.101 0.000 0.935 121 V HN 0.400 nan 8.190 nan 0.000 0.453 122 G N 1.379 110.275 108.800 0.160 0.000 2.511 122 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 122 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 122 G C 1.162 176.149 174.900 0.145 0.000 1.218 122 G CA 1.377 46.552 45.100 0.124 0.000 0.788 122 G HN 0.542 nan 8.290 nan 0.000 0.560 123 N N -0.442 118.370 118.700 0.187 0.000 2.297 123 N HA 0.007 4.747 4.740 0.001 0.000 0.208 123 N C 2.240 177.938 175.510 0.313 0.000 1.176 123 N CA 0.846 54.028 53.050 0.219 0.000 0.882 123 N CB 0.365 38.976 38.487 0.208 0.000 1.134 123 N HN 0.306 nan 8.380 nan 0.000 0.489 124 V N -0.948 119.117 119.914 0.252 0.000 2.568 124 V HA -0.115 4.005 4.120 0.001 0.000 0.253 124 V C 1.719 177.896 176.094 0.137 0.000 1.072 124 V CA 1.351 63.711 62.300 0.100 0.000 1.084 124 V CB -1.205 30.466 31.823 -0.254 0.000 0.676 124 V HN -0.073 nan 8.190 nan 0.000 0.469 125 F N 2.463 122.466 119.950 0.089 0.000 2.451 125 F HA 0.245 4.773 4.527 0.001 0.000 0.299 125 F C 2.334 178.256 175.800 0.203 0.000 1.101 125 F CA 1.182 59.254 58.000 0.120 0.000 1.436 125 F CB -0.783 38.261 39.000 0.072 0.000 1.074 125 F HN 0.354 nan 8.300 nan 0.000 0.553 126 G N -1.740 107.264 108.800 0.340 0.000 3.233 126 G HA2 0.030 3.991 3.960 0.001 0.000 0.234 126 G HA3 0.030 3.991 3.960 0.001 0.000 0.234 126 G C 0.135 175.114 174.900 0.131 0.000 1.137 126 G CA -0.247 44.977 45.100 0.206 0.000 0.763 126 G HN 0.023 nan 8.290 nan 0.000 0.549 127 F N 1.429 121.391 119.950 0.021 0.000 2.578 127 F HA 0.177 4.704 4.527 0.001 0.000 0.376 127 F C 1.778 177.574 175.800 -0.007 0.000 1.085 127 F CA 0.241 58.235 58.000 -0.011 0.000 1.260 127 F CB 1.072 40.037 39.000 -0.058 0.000 1.095 127 F HN -0.036 nan 8.300 nan 0.000 0.573 128 K N 2.818 123.192 120.400 -0.043 0.000 2.147 128 K HA -0.150 4.170 4.320 0.001 0.000 0.205 128 K C 1.963 178.600 176.600 0.061 0.000 1.049 128 K CA 1.246 57.528 56.287 -0.008 0.000 0.936 128 K CB -0.158 32.304 32.500 -0.064 0.000 0.722 128 K HN 0.712 nan 8.250 nan 0.000 0.446 129 A N 0.967 123.871 122.820 0.140 0.000 2.216 129 A HA 0.012 4.332 4.320 0.001 0.000 0.214 129 A C 0.728 178.362 177.584 0.083 0.000 1.160 129 A CA 0.682 52.795 52.037 0.127 0.000 0.725 129 A CB -0.253 18.857 19.000 0.184 0.000 0.784 129 A HN 0.105 nan 8.150 nan 0.000 0.472 130 L N -1.667 119.612 121.223 0.092 0.000 2.334 130 L HA 0.441 4.781 4.340 0.001 0.000 0.276 130 L C 1.239 178.143 176.870 0.057 0.000 1.014 130 L CA -0.708 54.162 54.840 0.050 0.000 0.815 130 L CB 1.657 43.728 42.059 0.020 0.000 1.268 130 L HN 0.137 nan 8.230 nan 0.000 0.428 131 R N 1.297 121.826 120.500 0.048 0.000 2.112 131 R HA 0.339 4.679 4.340 0.001 0.000 0.216 131 R C 0.154 176.496 176.300 0.069 0.000 1.080 131 R CA 0.746 56.872 56.100 0.045 0.000 0.996 131 R CB 0.473 30.795 30.300 0.037 0.000 0.902 131 R HN 0.773 nan 8.270 nan 0.000 0.449 132 A N 0.173 123.057 122.820 0.107 0.000 2.610 132 A HA 0.619 4.940 4.320 0.001 0.000 0.291 132 A C -2.081 175.592 177.584 0.148 0.000 1.086 132 A CA -0.607 51.575 52.037 0.243 0.000 0.677 132 A CB 1.691 20.817 19.000 0.210 0.000 1.278 132 A HN 0.037 nan 8.150 nan 0.000 0.414 133 L N 0.160 121.468 121.223 0.141 0.000 2.565 133 L HA 0.751 5.091 4.340 0.001 0.000 0.261 133 L C -0.831 175.915 176.870 -0.207 0.000 0.932 133 L CA -0.045 54.658 54.840 -0.228 0.000 0.878 133 L CB 1.945 43.593 42.059 -0.683 0.000 1.333 133 L HN 0.871 nan 8.230 nan 0.000 0.409 134 R N 3.970 124.455 120.500 -0.026 0.000 2.574 134 R HA 0.618 4.958 4.340 0.001 0.000 0.288 134 R C -1.888 174.487 176.300 0.126 0.000 1.004 134 R CA -0.888 55.288 56.100 0.128 0.000 0.895 134 R CB 1.799 32.156 30.300 0.095 0.000 1.191 134 R HN 0.667 nan 8.270 nan 0.000 0.444 135 L N 4.459 125.778 121.223 0.160 0.000 2.278 135 L HA 0.256 4.596 4.340 0.001 0.000 0.287 135 L C 0.781 177.572 176.870 -0.132 0.000 1.072 135 L CA 0.445 55.196 54.840 -0.147 0.000 0.819 135 L CB 1.196 43.170 42.059 -0.142 0.000 1.176 135 L HN 0.712 nan 8.230 nan 0.000 0.435 136 E N 2.240 122.277 120.200 -0.273 0.000 2.102 136 E HA 0.067 4.417 4.350 0.001 0.000 0.190 136 E C -0.168 176.319 176.600 -0.188 0.000 0.971 136 E CA 0.613 56.850 56.400 -0.272 0.000 0.821 136 E CB 0.351 29.649 29.700 -0.669 0.000 0.777 136 E HN 0.711 nan 8.360 nan 0.000 0.460 137 D N -1.428 118.853 120.400 -0.197 0.000 2.671 137 D HA 0.426 5.067 4.640 0.001 0.000 0.273 137 D C -1.582 174.801 176.300 0.138 0.000 1.264 137 D CA -0.501 53.530 54.000 0.053 0.000 0.788 137 D CB 1.286 42.200 40.800 0.190 0.000 1.324 137 D HN -0.149 nan 8.370 nan 0.000 0.424 138 L N 1.080 122.393 121.223 0.151 0.000 2.464 138 L HA 0.478 4.819 4.340 0.001 0.000 0.266 138 L C -0.549 176.217 176.870 -0.174 0.000 0.965 138 L CA -0.874 53.943 54.840 -0.039 0.000 0.833 138 L CB 2.275 44.297 42.059 -0.061 0.000 1.296 138 L HN 0.204 nan 8.230 nan 0.000 0.405 139 R N 4.051 124.234 120.500 -0.528 0.000 2.198 139 R HA 0.498 4.839 4.340 0.001 0.000 0.339 139 R C -1.032 175.063 176.300 -0.342 0.000 1.020 139 R CA -0.447 55.363 56.100 -0.484 0.000 0.864 139 R CB 0.484 30.329 30.300 -0.757 0.000 1.105 139 R HN 0.572 nan 8.270 nan 0.000 0.463 140 I N 7.938 128.321 120.570 -0.313 0.000 2.312 140 I HA 0.238 4.408 4.170 0.001 0.000 0.291 140 I C -1.680 174.300 176.117 -0.227 0.000 1.031 140 I CA -2.027 59.115 61.300 -0.262 0.000 1.293 140 I CB 1.594 39.412 38.000 -0.304 0.000 1.403 140 I HN 0.308 nan 8.210 nan 0.000 0.484 141 P HA -0.027 nan 4.420 nan 0.000 0.272 141 P C 1.083 178.360 177.300 -0.038 0.000 1.223 141 P CA -0.177 62.876 63.100 -0.079 0.000 0.784 141 P CB 1.267 32.945 31.700 -0.036 0.000 0.923 142 V N 0.333 120.224 119.914 -0.038 0.000 2.490 142 V HA -0.222 3.898 4.120 0.001 0.000 0.250 142 V C 2.283 178.404 176.094 0.044 0.000 1.061 142 V CA 2.099 64.393 62.300 -0.009 0.000 1.064 142 V CB -2.183 29.642 31.823 0.002 0.000 0.670 142 V HN 0.538 nan 8.190 nan 0.000 0.461 143 A N -1.002 121.855 122.820 0.062 0.000 2.019 143 A HA -0.145 4.175 4.320 0.001 0.000 0.219 143 A C 2.145 179.829 177.584 0.166 0.000 1.164 143 A CA 1.957 54.049 52.037 0.092 0.000 0.644 143 A CB -0.775 18.273 19.000 0.080 0.000 0.805 143 A HN 0.742 nan 8.150 nan 0.000 0.449 144 Y N -0.167 120.147 120.300 0.024 0.000 2.347 144 Y HA 0.020 4.571 4.550 0.001 0.000 0.294 144 Y C 2.313 178.327 175.900 0.190 0.000 1.117 144 Y CA 0.848 58.992 58.100 0.074 0.000 1.184 144 Y CB -0.219 38.249 38.460 0.012 0.000 1.047 144 Y HN 0.048 nan 8.280 nan 0.000 0.546 145 V N 0.712 120.686 119.914 0.100 0.000 2.332 145 V HA -0.304 3.817 4.120 0.001 0.000 0.248 145 V C 2.246 178.429 176.094 0.149 0.000 1.055 145 V CA 1.990 64.331 62.300 0.068 0.000 1.038 145 V CB -0.498 31.327 31.823 0.004 0.000 0.651 145 V HN 0.218 nan 8.190 nan 0.000 0.450 146 K N 0.562 121.020 120.400 0.097 0.000 2.442 146 K HA -0.088 4.233 4.320 0.001 0.000 0.198 146 K C 2.043 178.659 176.600 0.027 0.000 1.044 146 K CA 1.535 57.864 56.287 0.070 0.000 0.948 146 K CB -0.778 31.753 32.500 0.051 0.000 0.762 146 K HN 0.755 nan 8.250 nan 0.000 0.472 147 T N -2.137 112.397 114.554 -0.034 0.000 3.129 147 T HA 0.114 4.465 4.350 0.001 0.000 0.251 147 T C 0.497 174.972 174.700 -0.375 0.000 1.117 147 T CA -0.167 61.802 62.100 -0.219 0.000 1.034 147 T CB -0.233 68.434 68.868 -0.336 0.000 0.968 147 T HN -0.165 nan 8.240 nan 0.000 0.526 148 F N 0.931 120.800 119.950 -0.135 0.000 2.507 148 F HA 0.503 5.030 4.527 0.001 0.000 0.327 148 F C 1.548 177.331 175.800 -0.029 0.000 1.068 148 F CA -1.300 56.647 58.000 -0.089 0.000 0.965 148 F CB 1.927 40.850 39.000 -0.128 0.000 1.192 148 F HN -0.139 nan 8.300 nan 0.000 0.476 149 Q N 1.692 121.621 119.800 0.214 0.000 2.096 149 Q HA 0.252 4.593 4.340 0.001 0.000 0.197 149 Q C 0.991 177.051 176.000 0.100 0.000 0.964 149 Q CA 1.145 57.019 55.803 0.118 0.000 0.838 149 Q CB 0.003 28.823 28.738 0.135 0.000 0.906 149 Q HN 1.004 nan 8.270 nan 0.000 0.444 150 G N 0.479 109.351 108.800 0.121 0.000 2.632 150 G HA2 -0.237 3.723 3.960 0.001 0.000 0.224 150 G HA3 -0.237 3.723 3.960 0.001 0.000 0.224 150 G C -2.557 172.334 174.900 -0.015 0.000 1.341 150 G CA -0.433 44.685 45.100 0.030 0.000 0.880 150 G HN 0.318 nan 8.290 nan 0.000 0.566 151 P HA 0.215 nan 4.420 nan 0.000 0.265 151 P C -1.776 175.462 177.300 -0.104 0.000 1.187 151 P CA -0.387 62.666 63.100 -0.079 0.000 0.766 151 P CB 0.431 32.085 31.700 -0.077 0.000 0.820 152 P HA -0.158 nan 4.420 nan 0.000 0.220 152 P C 0.684 177.562 177.300 -0.703 0.000 1.148 152 P CA 1.801 64.674 63.100 -0.379 0.000 0.803 152 P CB 0.091 31.573 31.700 -0.363 0.000 0.782 153 H N -3.614 115.451 119.070 -0.009 0.000 1.837 153 H HA 0.364 4.921 4.556 0.001 0.000 0.168 153 H C 1.107 176.436 175.328 0.003 0.000 0.966 153 H CA 1.072 57.120 56.048 0.000 0.000 1.037 153 H CB 0.143 29.908 29.762 0.005 0.000 1.008 153 H HN 0.036 nan 8.280 nan 0.000 0.340 154 G N 1.033 109.905 108.800 0.120 0.000 2.662 154 G HA2 -0.176 3.784 3.960 0.001 0.000 0.686 154 G HA3 -0.176 3.784 3.960 0.001 0.000 0.686 154 G C 0.818 175.766 174.900 0.080 0.000 1.271 154 G CA -0.104 45.032 45.100 0.059 0.000 0.816 154 G HN 0.192 nan 8.290 nan 0.000 0.608 155 I N 0.181 120.780 120.570 0.049 0.000 2.087 155 I HA -0.335 3.836 4.170 0.001 0.000 0.240 155 I C 2.924 179.085 176.117 0.072 0.000 1.054 155 I CA 2.552 63.885 61.300 0.054 0.000 1.311 155 I CB -0.313 37.706 38.000 0.033 0.000 1.024 155 I HN 0.791 nan 8.210 nan 0.000 0.402 156 Q N 1.005 120.848 119.800 0.073 0.000 2.014 156 Q HA -0.221 4.120 4.340 0.001 0.000 0.207 156 Q C 2.380 178.439 176.000 0.100 0.000 0.993 156 Q CA 2.665 58.523 55.803 0.092 0.000 0.850 156 Q CB -0.110 28.674 28.738 0.077 0.000 0.916 156 Q HN 0.406 nan 8.270 nan 0.000 0.417 157 V N 1.205 121.175 119.914 0.093 0.000 2.407 157 V HA -0.256 3.864 4.120 0.001 0.000 0.248 157 V C 2.326 178.453 176.094 0.056 0.000 1.055 157 V CA 2.224 64.578 62.300 0.089 0.000 1.049 157 V CB -0.777 31.123 31.823 0.128 0.000 0.662 157 V HN 0.512 nan 8.190 nan 0.000 0.455 158 E N 0.393 120.634 120.200 0.068 0.000 2.051 158 E HA -0.243 4.107 4.350 0.001 0.000 0.192 158 E C 2.445 179.056 176.600 0.019 0.000 0.991 158 E CA 1.372 57.801 56.400 0.049 0.000 0.799 158 E CB -0.122 29.646 29.700 0.113 0.000 0.748 158 E HN 0.499 nan 8.360 nan 0.000 0.449 159 R N 0.308 120.814 120.500 0.010 0.000 2.096 159 R HA -0.128 4.213 4.340 0.001 0.000 0.235 159 R C 1.949 178.141 176.300 -0.181 0.000 1.127 159 R CA 1.517 57.547 56.100 -0.117 0.000 0.968 159 R CB -0.149 30.131 30.300 -0.033 0.000 0.861 159 R HN 0.305 nan 8.270 nan 0.000 0.440 160 D N 0.379 120.800 120.400 0.036 0.000 2.117 160 D HA -0.111 4.530 4.640 0.001 0.000 0.198 160 D C 1.801 178.119 176.300 0.030 0.000 0.982 160 D CA 1.044 55.111 54.000 0.111 0.000 0.828 160 D CB 0.024 40.906 40.800 0.138 0.000 0.967 160 D HN 0.044 nan 8.370 nan 0.000 0.464 161 K N 0.452 120.849 120.400 -0.005 0.000 2.057 161 K HA -0.004 4.316 4.320 0.001 0.000 0.206 161 K C 2.242 178.826 176.600 -0.027 0.000 1.050 161 K CA 0.462 56.736 56.287 -0.022 0.000 0.935 161 K CB -0.275 32.187 32.500 -0.063 0.000 0.715 161 K HN 0.267 nan 8.250 nan 0.000 0.439 162 L N 0.098 121.289 121.223 -0.052 0.000 2.446 162 L HA 0.071 4.412 4.340 0.001 0.000 0.219 162 L C 0.542 177.335 176.870 -0.128 0.000 1.116 162 L CA 0.031 54.832 54.840 -0.066 0.000 0.844 162 L CB -0.489 41.541 42.059 -0.047 0.000 0.970 162 L HN 0.392 nan 8.230 nan 0.000 0.457 163 N N 1.220 119.799 118.700 -0.202 0.000 2.783 163 N HA -0.165 4.576 4.740 0.001 0.000 0.247 163 N C -0.521 174.731 175.510 -0.430 0.000 1.089 163 N CA 0.315 53.219 53.050 -0.243 0.000 0.690 163 N CB -0.382 38.080 38.487 -0.041 0.000 0.991 163 N HN 0.349 nan 8.380 nan 0.000 0.552 164 K N 1.557 121.530 120.400 -0.711 0.000 2.450 164 K HA 0.396 4.716 4.320 0.001 0.000 0.257 164 K C -1.388 174.819 176.600 -0.656 0.000 0.953 164 K CA -0.323 55.661 56.287 -0.505 0.000 0.844 164 K CB 0.998 33.330 32.500 -0.279 0.000 1.103 164 K HN 0.109 nan 8.250 nan 0.000 0.429 165 Y N -0.664 119.638 120.300 0.004 0.000 2.609 165 Y HA 0.433 4.983 4.550 0.001 0.000 0.342 165 Y C 1.150 177.056 175.900 0.009 0.000 1.058 165 Y CA -0.856 57.250 58.100 0.010 0.000 1.055 165 Y CB 2.255 40.722 38.460 0.011 0.000 1.292 165 Y HN 0.726 nan 8.280 nan 0.000 0.476 166 G N 1.132 110.048 108.800 0.193 0.000 2.148 166 G HA2 -0.235 3.725 3.960 0.001 0.000 0.254 166 G HA3 -0.235 3.725 3.960 0.001 0.000 0.254 166 G C -0.186 174.759 174.900 0.074 0.000 0.981 166 G CA 0.523 45.690 45.100 0.111 0.000 0.670 166 G HN 0.933 nan 8.290 nan 0.000 0.528 167 R N -2.134 118.404 120.500 0.063 0.000 2.709 167 R HA 0.585 4.925 4.340 0.001 0.000 0.270 167 R C -3.515 172.807 176.300 0.037 0.000 1.038 167 R CA -1.778 54.350 56.100 0.047 0.000 0.872 167 R CB 0.263 30.585 30.300 0.037 0.000 1.259 167 R HN 0.026 nan 8.270 nan 0.000 0.473 168 P HA 0.119 nan 4.420 nan 0.000 0.270 168 P C -0.572 176.740 177.300 0.019 0.000 1.223 168 P CA -0.279 62.841 63.100 0.033 0.000 0.785 168 P CB 0.497 32.228 31.700 0.051 0.000 0.923 169 L N 1.688 122.920 121.223 0.015 0.000 2.421 169 L HA 0.417 4.757 4.340 0.001 0.000 0.263 169 L C 0.177 177.080 176.870 0.056 0.000 1.122 169 L CA -0.622 54.228 54.840 0.016 0.000 0.804 169 L CB 0.252 42.360 42.059 0.082 0.000 1.150 169 L HN 0.165 nan 8.230 nan 0.000 0.457 170 L N 1.105 122.353 121.223 0.042 0.000 2.333 170 L HA 0.669 5.009 4.340 0.001 0.000 0.280 170 L C 0.248 177.198 176.870 0.133 0.000 1.004 170 L CA -0.273 54.630 54.840 0.103 0.000 0.820 170 L CB 1.782 43.891 42.059 0.082 0.000 1.247 170 L HN 0.706 nan 8.230 nan 0.000 0.416 171 G N 0.842 109.731 108.800 0.149 0.000 3.013 171 G HA2 0.655 4.616 3.960 0.001 0.000 0.278 171 G HA3 0.655 4.616 3.960 0.001 0.000 0.278 171 G C -1.780 173.138 174.900 0.030 0.000 1.353 171 G CA -0.530 44.629 45.100 0.098 0.000 1.043 171 G HN 0.674 nan 8.290 nan 0.000 0.523 172 C N -0.235 119.025 119.300 -0.068 0.000 3.094 172 C HA 0.625 5.086 4.460 0.001 0.000 0.414 172 C C -0.415 174.515 174.990 -0.099 0.000 0.993 172 C CA -0.506 58.488 59.018 -0.040 0.000 1.217 172 C CB 0.476 28.221 27.740 0.008 0.000 1.603 172 C HN 0.807 nan 8.230 nan 0.000 0.564 173 T N 7.282 121.803 114.554 -0.055 0.000 2.743 173 T HA 0.397 4.747 4.350 0.001 0.000 0.293 173 T C 0.527 175.214 174.700 -0.022 0.000 0.945 173 T CA -0.260 61.819 62.100 -0.034 0.000 1.030 173 T CB 0.283 69.167 68.868 0.026 0.000 0.912 173 T HN 0.575 nan 8.240 nan 0.000 0.483 174 I N 4.068 124.609 120.570 -0.048 0.000 2.752 174 I HA 0.169 4.340 4.170 0.001 0.000 0.287 174 I C 0.715 176.809 176.117 -0.039 0.000 1.188 174 I CA 0.236 61.459 61.300 -0.128 0.000 1.427 174 I CB -0.062 37.663 38.000 -0.458 0.000 1.365 174 I HN 0.438 nan 8.210 nan 0.000 0.585 175 K N 6.469 126.848 120.400 -0.036 0.000 2.443 175 K HA 0.561 4.882 4.320 0.001 0.000 0.251 175 K C -2.402 174.202 176.600 0.008 0.000 0.972 175 K CA -1.603 54.693 56.287 0.015 0.000 0.833 175 K CB 1.708 34.227 32.500 0.031 0.000 1.317 175 K HN 0.315 nan 8.250 nan 0.000 0.441 176 P HA 0.138 nan 4.420 nan 0.000 0.270 176 P C 0.264 177.593 177.300 0.048 0.000 1.223 176 P CA -0.165 62.949 63.100 0.023 0.000 0.785 176 P CB 0.913 32.609 31.700 -0.005 0.000 0.923 177 K N 0.181 120.606 120.400 0.042 0.000 2.034 177 K HA -0.097 4.224 4.320 0.001 0.000 0.214 177 K C 0.826 177.473 176.600 0.077 0.000 1.051 177 K CA 1.340 57.668 56.287 0.068 0.000 0.931 177 K CB -0.297 32.228 32.500 0.042 0.000 0.715 177 K HN 0.412 nan 8.250 nan 0.000 0.446 178 L N -2.415 118.782 121.223 -0.042 0.000 2.327 178 L HA 0.417 4.757 4.340 0.001 0.000 0.258 178 L C 0.760 177.300 176.870 -0.550 0.000 1.024 178 L CA -0.360 54.327 54.840 -0.256 0.000 0.825 178 L CB 2.224 44.167 42.059 -0.193 0.000 1.386 178 L HN 0.467 nan 8.230 nan 0.000 0.417 179 G N 0.816 108.808 108.800 -1.347 0.000 2.218 179 G HA2 -0.187 3.774 3.960 0.001 0.000 0.216 179 G HA3 -0.187 3.774 3.960 0.001 0.000 0.216 179 G C -0.199 174.513 174.900 -0.313 0.000 0.994 179 G CA -0.478 44.108 45.100 -0.857 0.000 0.637 179 G HN 0.307 nan 8.290 nan 0.000 0.505 180 L N 2.232 123.414 121.223 -0.068 0.000 2.375 180 L HA 0.590 4.931 4.340 0.001 0.000 0.271 180 L C 1.474 178.515 176.870 0.285 0.000 1.107 180 L CA -0.109 54.825 54.840 0.158 0.000 0.806 180 L CB 1.477 43.708 42.059 0.288 0.000 1.146 180 L HN 0.445 nan 8.230 nan 0.000 0.447 181 S N 1.281 117.103 115.700 0.204 0.000 2.645 181 S HA 0.342 4.812 4.470 0.001 0.000 0.266 181 S C 1.022 175.720 174.600 0.163 0.000 1.258 181 S CA -0.155 58.150 58.200 0.176 0.000 0.990 181 S CB 1.523 64.774 63.200 0.085 0.000 0.967 181 S HN 0.698 nan 8.310 nan 0.000 0.556 182 A N 1.264 124.156 122.820 0.121 0.000 1.883 182 A HA -0.121 4.199 4.320 0.001 0.000 0.217 182 A C 2.163 179.715 177.584 -0.054 0.000 1.186 182 A CA 1.935 54.062 52.037 0.151 0.000 0.624 182 A CB -1.024 18.161 19.000 0.309 0.000 0.822 182 A HN 0.965 nan 8.150 nan 0.000 0.444 183 K N -0.259 119.879 120.400 -0.437 0.000 2.097 183 K HA -0.134 4.186 4.320 0.001 0.000 0.205 183 K C 1.699 178.132 176.600 -0.278 0.000 1.050 183 K CA 1.692 57.497 56.287 -0.804 0.000 0.938 183 K CB -0.296 31.700 32.500 -0.840 0.000 0.718 183 K HN 0.623 nan 8.250 nan 0.000 0.442 184 N N -0.918 117.727 118.700 -0.092 0.000 2.309 184 N HA -0.140 4.600 4.740 0.001 0.000 0.182 184 N C 1.401 176.944 175.510 0.055 0.000 1.018 184 N CA 0.636 53.684 53.050 -0.005 0.000 0.876 184 N CB -0.051 38.455 38.487 0.031 0.000 0.972 184 N HN 0.175 nan 8.380 nan 0.000 0.434 185 Y N 1.007 121.301 120.300 -0.011 0.000 2.163 185 Y HA -0.066 4.484 4.550 0.000 0.000 0.288 185 Y C 2.444 178.351 175.900 0.012 0.000 1.136 185 Y CA 1.625 59.746 58.100 0.036 0.000 1.147 185 Y CB -0.603 37.909 38.460 0.086 0.000 0.987 185 Y HN -0.000 nan 8.280 nan 0.000 0.509 186 G N -0.619 108.269 108.800 0.147 0.000 2.408 186 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 186 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 186 G C 1.709 176.652 174.900 0.072 0.000 1.150 186 G CA 0.838 45.995 45.100 0.095 0.000 0.776 186 G HN 0.352 nan 8.290 nan 0.000 0.542 187 R N 0.684 121.206 120.500 0.036 0.000 2.073 187 R HA 0.038 4.379 4.340 0.001 0.000 0.234 187 R C 2.768 179.109 176.300 0.068 0.000 1.134 187 R CA 1.808 57.951 56.100 0.071 0.000 0.952 187 R CB -0.546 29.769 30.300 0.025 0.000 0.850 187 R HN 0.219 nan 8.270 nan 0.000 0.433 188 A N 0.277 123.094 122.820 -0.005 0.000 1.933 188 A HA -0.091 4.229 4.320 0.001 0.000 0.218 188 A C 2.307 179.863 177.584 -0.047 0.000 1.175 188 A CA 1.647 53.654 52.037 -0.049 0.000 0.628 188 A CB -0.563 18.361 19.000 -0.127 0.000 0.814 188 A HN 0.249 nan 8.150 nan 0.000 0.444 189 V N -1.160 118.735 119.914 -0.032 0.000 2.261 189 V HA -0.282 3.839 4.120 0.001 0.000 0.246 189 V C 2.373 178.499 176.094 0.053 0.000 1.047 189 V CA 2.172 64.477 62.300 0.008 0.000 1.015 189 V CB -1.057 30.756 31.823 -0.017 0.000 0.642 189 V HN 0.746 nan 8.190 nan 0.000 0.446 190 Y N 1.547 121.839 120.300 -0.014 0.000 2.128 190 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 190 Y C 2.560 178.461 175.900 0.000 0.000 1.154 190 Y CA 1.995 60.095 58.100 0.000 0.000 1.149 190 Y CB -0.459 38.008 38.460 0.011 0.000 0.976 190 Y HN 0.277 nan 8.280 nan 0.000 0.505 191 E N -0.380 119.612 120.200 -0.346 0.000 2.110 191 E HA -0.212 4.138 4.350 0.001 0.000 0.193 191 E C 2.500 178.945 176.600 -0.258 0.000 0.988 191 E CA 1.431 57.585 56.400 -0.409 0.000 0.804 191 E CB -0.937 28.659 29.700 -0.174 0.000 0.745 191 E HN 0.561 nan 8.360 nan 0.000 0.458 192 C N 0.595 119.807 119.300 -0.145 0.000 2.462 192 C HA -0.055 4.406 4.460 0.001 0.000 0.278 192 C C 2.885 177.818 174.990 -0.096 0.000 1.253 192 C CA 0.312 59.274 59.018 -0.094 0.000 1.713 192 C CB -1.130 26.581 27.740 -0.048 0.000 2.049 192 C HN 0.364 nan 8.230 nan 0.000 0.477 193 L N 1.261 122.437 121.223 -0.079 0.000 2.083 193 L HA -0.164 4.177 4.340 0.001 0.000 0.209 193 L C 2.865 179.686 176.870 -0.083 0.000 1.083 193 L CA 1.793 56.600 54.840 -0.055 0.000 0.752 193 L CB -0.759 41.301 42.059 0.003 0.000 0.899 193 L HN 0.489 nan 8.230 nan 0.000 0.433 194 R N 0.585 120.986 120.500 -0.165 0.000 2.237 194 R HA -0.066 4.275 4.340 0.001 0.000 0.219 194 R C 1.795 178.024 176.300 -0.119 0.000 1.080 194 R CA 1.254 57.259 56.100 -0.158 0.000 0.995 194 R CB -0.593 29.509 30.300 -0.330 0.000 0.875 194 R HN 0.250 nan 8.270 nan 0.000 0.462 195 G N -0.727 107.998 108.800 -0.125 0.000 2.985 195 G HA2 0.288 4.248 3.960 0.001 0.000 0.209 195 G HA3 0.288 4.248 3.960 0.001 0.000 0.209 195 G C 0.838 175.694 174.900 -0.072 0.000 1.165 195 G CA 0.191 45.233 45.100 -0.095 0.000 0.776 195 G HN 0.572 nan 8.290 nan 0.000 0.541 196 G N -0.676 108.085 108.800 -0.065 0.000 2.296 196 G HA2 -0.184 3.776 3.960 0.001 0.000 0.188 196 G HA3 -0.184 3.776 3.960 0.001 0.000 0.188 196 G C 0.322 175.183 174.900 -0.064 0.000 1.000 196 G CA -0.312 44.754 45.100 -0.056 0.000 0.672 196 G HN 0.332 nan 8.290 nan 0.000 0.483 197 L N 1.500 122.684 121.223 -0.064 0.000 2.417 197 L HA 0.362 4.703 4.340 0.001 0.000 0.268 197 L C 1.037 177.838 176.870 -0.116 0.000 1.158 197 L CA -0.583 54.221 54.840 -0.061 0.000 0.819 197 L CB 0.613 42.655 42.059 -0.027 0.000 1.112 197 L HN 0.013 nan 8.230 nan 0.000 0.458 198 D N 1.385 121.664 120.400 -0.203 0.000 2.213 198 D HA 0.062 4.702 4.640 0.001 0.000 0.205 198 D C -0.103 175.883 176.300 -0.523 0.000 0.961 198 D CA 1.436 55.161 54.000 -0.458 0.000 0.853 198 D CB 0.348 40.700 40.800 -0.747 0.000 0.967 198 D HN 0.153 nan 8.370 nan 0.000 0.496 199 F N -0.303 119.625 119.950 -0.037 0.000 2.629 199 F HA 0.359 4.887 4.527 0.001 0.000 0.316 199 F C 0.536 176.202 175.800 -0.224 0.000 1.081 199 F CA -1.016 56.911 58.000 -0.121 0.000 0.954 199 F CB 1.691 40.598 39.000 -0.154 0.000 1.337 199 F HN -0.339 nan 8.300 nan 0.000 0.474 203 D N 1.003 121.533 120.400 0.216 0.000 2.362 203 D HA -0.006 4.635 4.640 0.001 0.000 0.242 203 D C 1.477 177.783 176.300 0.009 0.000 1.132 203 D CA 0.003 54.067 54.000 0.106 0.000 0.907 203 D CB 1.121 41.997 40.800 0.126 0.000 1.195 203 D HN 0.397 nan 8.370 nan 0.000 0.429 204 E N 2.709 122.807 120.200 -0.171 0.000 2.171 204 E HA -0.273 4.078 4.350 0.001 0.000 0.197 204 E C 0.732 177.239 176.600 -0.156 0.000 0.997 204 E CA 1.294 57.485 56.400 -0.348 0.000 0.810 204 E CB -0.428 28.660 29.700 -1.021 0.000 0.738 204 E HN 0.518 nan 8.360 nan 0.000 0.467 205 N N 1.030 119.685 118.700 -0.074 0.000 2.398 205 N HA -0.007 4.734 4.740 0.001 0.000 0.188 205 N C 0.108 175.657 175.510 0.065 0.000 1.122 205 N CA 0.007 53.053 53.050 -0.006 0.000 0.866 205 N CB 0.031 38.524 38.487 0.010 0.000 0.970 205 N HN -0.032 nan 8.380 nan 0.000 0.462 206 V N 1.918 121.886 119.914 0.090 0.000 2.372 206 V HA 0.178 4.298 4.120 0.001 0.000 0.261 206 V C 0.284 176.437 176.094 0.098 0.000 1.055 206 V CA -0.210 62.169 62.300 0.132 0.000 0.930 206 V CB -0.302 31.609 31.823 0.146 0.000 1.031 206 V HN 0.304 nan 8.190 nan 0.000 0.479 207 N N 2.659 121.400 118.700 0.069 0.000 3.189 207 N HA 0.242 4.983 4.740 0.001 0.000 0.204 207 N C -0.163 175.385 175.510 0.063 0.000 1.231 207 N CA -0.295 52.790 53.050 0.058 0.000 1.130 207 N CB 0.571 39.065 38.487 0.012 0.000 1.393 207 N HN 0.501 nan 8.380 nan 0.000 0.540 208 S N 0.229 115.933 115.700 0.007 0.000 2.720 208 S HA 0.429 4.900 4.470 0.001 0.000 0.278 208 S C -1.856 172.666 174.600 -0.129 0.000 1.172 208 S CA -0.423 57.778 58.200 0.001 0.000 1.019 208 S CB 1.117 64.419 63.200 0.170 0.000 1.049 208 S HN 0.251 nan 8.310 nan 0.000 0.483 209 Q N 3.370 122.969 119.800 -0.335 0.000 2.501 209 Q HA 0.482 4.823 4.340 0.001 0.000 0.288 209 Q C -2.115 173.585 176.000 -0.499 0.000 1.051 209 Q CA -1.861 53.669 55.803 -0.455 0.000 0.788 209 Q CB 1.632 29.936 28.738 -0.723 0.000 1.469 209 Q HN 0.257 nan 8.270 nan 0.000 0.416 210 P HA -0.203 nan 4.420 nan 0.000 0.217 210 P C 0.542 177.767 177.300 -0.125 0.000 1.151 210 P CA 1.458 64.472 63.100 -0.143 0.000 0.849 210 P CB 0.047 31.738 31.700 -0.015 0.000 0.787 211 F N -2.820 117.143 119.950 0.020 0.000 2.456 211 F HA 0.273 4.800 4.527 0.000 0.000 0.298 211 F C 0.985 176.799 175.800 0.023 0.000 1.104 211 F CA 0.157 58.171 58.000 0.024 0.000 1.435 211 F CB -0.562 38.457 39.000 0.031 0.000 1.078 211 F HN -0.184 nan 8.300 nan 0.000 0.546 212 M N 1.331 120.686 119.600 -0.409 0.000 2.310 212 M HA 0.335 4.815 4.480 0.001 0.000 0.242 212 M C -1.432 174.723 176.300 -0.242 0.000 1.000 212 M CA -0.530 54.663 55.300 -0.177 0.000 0.970 212 M CB 1.064 33.670 32.600 0.010 0.000 2.191 212 M HN -0.197 nan 8.290 nan 0.000 0.470 213 R N 3.714 124.127 120.500 -0.145 0.000 2.490 213 R HA 0.248 4.588 4.340 0.001 0.000 0.278 213 R C 1.098 177.329 176.300 -0.115 0.000 1.069 213 R CA -0.201 55.812 56.100 -0.145 0.000 1.080 213 R CB 0.575 30.757 30.300 -0.195 0.000 1.030 213 R HN 0.951 nan 8.270 nan 0.000 0.491 214 W N 4.369 125.574 121.300 -0.160 0.000 2.335 214 W HA -0.207 4.454 4.660 0.002 0.000 0.311 214 W C 1.171 177.536 176.519 -0.257 0.000 1.213 214 W CA 0.894 58.119 57.345 -0.201 0.000 1.274 214 W CB -0.518 28.742 29.460 -0.334 0.000 1.148 214 W HN 0.581 nan 8.180 nan 0.000 0.498 215 R N 0.974 120.652 120.500 -1.370 0.000 2.096 215 R HA -0.152 4.188 4.340 0.001 0.000 0.235 215 R C 1.901 177.988 176.300 -0.355 0.000 1.127 215 R CA 2.135 57.511 56.100 -1.208 0.000 0.968 215 R CB -0.387 28.932 30.300 -1.635 0.000 0.861 215 R HN 0.002 nan 8.270 nan 0.000 0.440 216 D N -0.199 120.042 120.400 -0.265 0.000 2.117 216 D HA -0.182 4.459 4.640 0.001 0.000 0.198 216 D C 1.864 178.277 176.300 0.187 0.000 0.982 216 D CA 1.017 54.993 54.000 -0.040 0.000 0.828 216 D CB -0.210 40.612 40.800 0.037 0.000 0.967 216 D HN 0.239 nan 8.370 nan 0.000 0.464 217 R N -0.239 120.392 120.500 0.219 0.000 2.073 217 R HA -0.155 4.186 4.340 0.001 0.000 0.234 217 R C 2.244 178.800 176.300 0.427 0.000 1.134 217 R CA 1.076 57.369 56.100 0.321 0.000 0.952 217 R CB -0.340 30.097 30.300 0.229 0.000 0.850 217 R HN 0.033 nan 8.270 nan 0.000 0.433 218 F N 0.863 120.930 119.950 0.196 0.000 2.095 218 F HA -0.207 4.320 4.527 0.000 0.000 0.298 218 F C 2.188 178.054 175.800 0.110 0.000 1.104 218 F CA 0.975 59.101 58.000 0.210 0.000 1.232 218 F CB -0.974 38.267 39.000 0.401 0.000 0.987 218 F HN 0.087 nan 8.300 nan 0.000 0.475 219 L N -1.043 120.375 121.223 0.325 0.000 2.012 219 L HA -0.221 4.119 4.340 0.001 0.000 0.210 219 L C 2.260 179.134 176.870 0.006 0.000 1.073 219 L CA 1.784 56.681 54.840 0.095 0.000 0.748 219 L CB -1.010 41.019 42.059 -0.051 0.000 0.891 219 L HN -0.021 nan 8.230 nan 0.000 0.431 220 F N -1.400 118.614 119.950 0.107 0.000 2.186 220 F HA -0.188 4.339 4.527 0.000 0.000 0.299 220 F C 2.640 178.455 175.800 0.025 0.000 1.090 220 F CA 1.231 59.272 58.000 0.067 0.000 1.307 220 F CB -1.226 37.821 39.000 0.079 0.000 1.019 220 F HN 0.142 nan 8.300 nan 0.000 0.489 221 C N -0.441 118.963 119.300 0.172 0.000 2.435 221 C HA -0.029 4.431 4.460 0.001 0.000 0.279 221 C C 3.079 178.019 174.990 -0.083 0.000 1.321 221 C CA 0.795 59.789 59.018 -0.040 0.000 1.752 221 C CB -1.561 26.009 27.740 -0.283 0.000 1.959 221 C HN 0.493 nan 8.230 nan 0.000 0.500 222 A N 0.406 123.191 122.820 -0.059 0.000 1.877 222 A HA -0.225 4.095 4.320 0.001 0.000 0.216 222 A C 2.175 179.717 177.584 -0.071 0.000 1.186 222 A CA 1.822 53.766 52.037 -0.155 0.000 0.620 222 A CB -0.688 18.280 19.000 -0.053 0.000 0.822 222 A HN 0.680 nan 8.150 nan 0.000 0.443 223 E N -0.118 120.127 120.200 0.075 0.000 2.085 223 E HA -0.168 4.182 4.350 0.001 0.000 0.194 223 E C 2.155 178.805 176.600 0.084 0.000 0.994 223 E CA 1.116 57.593 56.400 0.129 0.000 0.801 223 E CB -0.237 29.544 29.700 0.136 0.000 0.743 223 E HN 0.533 nan 8.360 nan 0.000 0.453 224 A N 1.180 124.040 122.820 0.066 0.000 1.898 224 A HA -0.165 4.155 4.320 0.001 0.000 0.216 224 A C 2.214 179.855 177.584 0.094 0.000 1.181 224 A CA 1.619 53.702 52.037 0.078 0.000 0.620 224 A CB -0.709 18.361 19.000 0.116 0.000 0.819 224 A HN 0.391 nan 8.150 nan 0.000 0.442 225 L N -3.459 117.755 121.223 -0.015 0.000 2.093 225 L HA -0.032 4.308 4.340 0.001 0.000 0.208 225 L C 2.207 179.065 176.870 -0.021 0.000 1.085 225 L CA 1.742 56.555 54.840 -0.046 0.000 0.755 225 L CB -1.180 40.792 42.059 -0.145 0.000 0.904 225 L HN 0.238 nan 8.230 nan 0.000 0.435 226 Y N 0.705 121.041 120.300 0.060 0.000 2.293 226 Y HA -0.084 4.467 4.550 0.000 0.000 0.291 226 Y C 2.746 178.670 175.900 0.040 0.000 1.137 226 Y CA 1.292 59.416 58.100 0.041 0.000 1.202 226 Y CB -0.583 37.889 38.460 0.021 0.000 0.990 226 Y HN 0.319 nan 8.280 nan 0.000 0.537 227 K N 0.133 120.634 120.400 0.169 0.000 2.057 227 K HA -0.128 4.192 4.320 0.001 0.000 0.206 227 K C 2.305 179.016 176.600 0.185 0.000 1.050 227 K CA 1.089 57.423 56.287 0.078 0.000 0.935 227 K CB -0.211 32.197 32.500 -0.154 0.000 0.715 227 K HN 0.203 nan 8.250 nan 0.000 0.439 228 A N 1.220 124.211 122.820 0.284 0.000 1.902 228 A HA -0.249 4.071 4.320 0.001 0.000 0.217 228 A C 2.105 179.781 177.584 0.153 0.000 1.181 228 A CA 1.761 53.965 52.037 0.278 0.000 0.623 228 A CB -0.691 18.434 19.000 0.207 0.000 0.818 228 A HN 0.570 nan 8.150 nan 0.000 0.443 229 Q N -0.606 119.275 119.800 0.136 0.000 2.084 229 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 229 Q C 2.150 178.209 176.000 0.098 0.000 0.978 229 Q CA 1.660 57.528 55.803 0.108 0.000 0.844 229 Q CB -0.343 28.482 28.738 0.144 0.000 0.898 229 Q HN 0.603 nan 8.270 nan 0.000 0.426 230 A N 0.597 123.484 122.820 0.111 0.000 1.969 230 A HA -0.216 4.105 4.320 0.001 0.000 0.218 230 A C 1.870 179.497 177.584 0.072 0.000 1.169 230 A CA 1.540 53.625 52.037 0.079 0.000 0.635 230 A CB -0.566 18.476 19.000 0.069 0.000 0.810 230 A HN 0.628 nan 8.150 nan 0.000 0.445 231 E N -0.281 119.977 120.200 0.097 0.000 2.046 231 E HA -0.159 4.192 4.350 0.001 0.000 0.190 231 E C 2.064 178.702 176.600 0.064 0.000 0.982 231 E CA 1.788 58.244 56.400 0.093 0.000 0.800 231 E CB -0.106 29.684 29.700 0.150 0.000 0.756 231 E HN 0.699 nan 8.360 nan 0.000 0.449 232 T N -3.569 111.020 114.554 0.058 0.000 3.035 232 T HA 0.198 4.549 4.350 0.001 0.000 0.259 232 T C 1.555 176.269 174.700 0.024 0.000 1.078 232 T CA 0.782 62.901 62.100 0.031 0.000 1.132 232 T CB 0.311 69.189 68.868 0.016 0.000 0.900 232 T HN 0.365 nan 8.240 nan 0.000 0.480 233 G N 1.039 109.857 108.800 0.031 0.000 2.143 233 G HA2 -0.194 3.767 3.960 0.001 0.000 0.249 233 G HA3 -0.194 3.767 3.960 0.001 0.000 0.249 233 G C -0.294 174.615 174.900 0.014 0.000 0.981 233 G CA 0.130 45.244 45.100 0.024 0.000 0.665 233 G HN 0.676 nan 8.290 nan 0.000 0.528 234 E N -0.480 119.724 120.200 0.007 0.000 2.212 234 E HA 0.562 4.912 4.350 0.001 0.000 0.268 234 E C 0.409 177.001 176.600 -0.014 0.000 0.902 234 E CA -1.080 55.312 56.400 -0.014 0.000 0.779 234 E CB 1.773 31.451 29.700 -0.036 0.000 1.172 234 E HN 0.291 nan 8.360 nan 0.000 0.409 235 I N 3.277 123.831 120.570 -0.025 0.000 2.710 235 I HA -0.029 4.142 4.170 0.001 0.000 0.286 235 I C 0.399 176.485 176.117 -0.050 0.000 1.181 235 I CA 0.558 61.850 61.300 -0.013 0.000 1.430 235 I CB 0.069 38.061 38.000 -0.013 0.000 1.367 235 I HN 0.192 nan 8.210 nan 0.000 0.577 236 K N 4.392 124.788 120.400 -0.006 0.000 2.350 236 K HA 0.806 5.126 4.320 0.001 0.000 0.241 236 K C -0.282 176.360 176.600 0.070 0.000 0.994 236 K CA -0.758 55.519 56.287 -0.018 0.000 0.839 236 K CB 2.179 34.684 32.500 0.008 0.000 1.244 236 K HN 0.775 nan 8.250 nan 0.000 0.443 237 G N 0.078 108.988 108.800 0.184 0.000 2.704 237 G HA2 0.389 4.350 3.960 0.001 0.000 0.293 237 G HA3 0.389 4.350 3.960 0.001 0.000 0.293 237 G C -1.941 173.167 174.900 0.346 0.000 1.421 237 G CA -0.285 45.019 45.100 0.342 0.000 0.870 237 G HN 0.558 nan 8.290 nan 0.000 0.492 238 H N 0.955 120.098 119.070 0.122 0.000 3.018 238 H HA 0.313 4.870 4.556 0.001 0.000 0.334 238 H C -1.075 174.281 175.328 0.046 0.000 0.983 238 H CA -0.584 55.471 56.048 0.011 0.000 1.363 238 H CB 1.144 30.895 29.762 -0.019 0.000 1.668 238 H HN 0.363 nan 8.280 nan 0.000 0.513 239 Y N 5.476 125.505 120.300 -0.451 0.000 2.713 239 Y HA 0.064 4.615 4.550 0.001 0.000 0.341 239 Y C 0.652 176.412 175.900 -0.233 0.000 1.167 239 Y CA -0.431 57.469 58.100 -0.334 0.000 1.503 239 Y CB -0.469 37.766 38.460 -0.375 0.000 1.199 239 Y HN 0.368 nan 8.280 nan 0.000 0.525 240 L N 4.186 125.401 121.223 -0.013 0.000 2.281 240 L HA 0.227 4.568 4.340 0.001 0.000 0.285 240 L C 0.628 177.502 176.870 0.007 0.000 1.074 240 L CA -0.130 54.596 54.840 -0.190 0.000 0.817 240 L CB 0.425 41.983 42.059 -0.835 0.000 1.168 240 L HN 0.606 nan 8.230 nan 0.000 0.434 241 N N 1.941 120.741 118.700 0.167 0.000 2.431 241 N HA 0.159 4.899 4.740 0.001 0.000 0.265 241 N C 0.635 176.315 175.510 0.284 0.000 1.184 241 N CA -0.069 53.111 53.050 0.215 0.000 0.943 241 N CB 1.027 39.628 38.487 0.190 0.000 1.080 241 N HN 0.784 nan 8.380 nan 0.000 0.477 242 A N 2.710 125.644 122.820 0.189 0.000 2.267 242 A HA 0.072 4.393 4.320 0.001 0.000 0.213 242 A C 0.689 178.292 177.584 0.032 0.000 1.192 242 A CA -0.023 52.066 52.037 0.086 0.000 0.851 242 A CB 0.083 19.098 19.000 0.025 0.000 0.881 242 A HN 0.583 nan 8.150 nan 0.000 0.494 243 T N 1.813 116.452 114.554 0.141 0.000 2.905 243 T HA 0.434 4.784 4.350 0.001 0.000 0.299 243 T C 0.252 174.958 174.700 0.009 0.000 1.024 243 T CA 0.941 63.132 62.100 0.151 0.000 1.151 243 T CB 0.593 69.514 68.868 0.088 0.000 0.987 243 T HN 0.732 nan 8.240 nan 0.000 0.535 244 A N 2.466 125.281 122.820 -0.008 0.000 2.568 244 A HA 0.813 5.134 4.320 0.001 0.000 0.291 244 A C 1.282 178.840 177.584 -0.044 0.000 1.159 244 A CA -0.273 51.722 52.037 -0.071 0.000 0.679 244 A CB 0.544 19.450 19.000 -0.158 0.000 1.285 244 A HN 0.752 nan 8.150 nan 0.000 0.428 245 G N -0.898 107.869 108.800 -0.056 0.000 2.511 245 G HA2 0.368 4.328 3.960 0.001 0.000 0.217 245 G HA3 0.368 4.328 3.960 0.001 0.000 0.217 245 G C 0.636 175.515 174.900 -0.036 0.000 1.133 245 G CA 1.708 46.785 45.100 -0.039 0.000 0.792 245 G HN 1.583 nan 8.290 nan 0.000 0.539 246 T N -4.211 110.312 114.554 -0.052 0.000 2.883 246 T HA 0.295 4.645 4.350 0.001 0.000 0.296 246 T C 0.935 175.596 174.700 -0.066 0.000 1.117 246 T CA -0.248 61.823 62.100 -0.048 0.000 1.006 246 T CB 1.375 70.214 68.868 -0.048 0.000 1.191 246 T HN -0.082 nan 8.240 nan 0.000 0.508 247 C N 0.750 120.016 119.300 -0.057 0.000 2.413 247 C HA -0.047 4.414 4.460 0.001 0.000 0.276 247 C C 2.635 177.563 174.990 -0.103 0.000 1.248 247 C CA 1.091 60.064 59.018 -0.076 0.000 1.742 247 C CB -1.367 26.341 27.740 -0.054 0.000 2.017 247 C HN 1.031 nan 8.230 nan 0.000 0.481 248 E N 1.324 121.473 120.200 -0.086 0.000 2.058 248 E HA -0.180 4.171 4.350 0.001 0.000 0.194 248 E C 1.675 178.196 176.600 -0.131 0.000 0.997 248 E CA 1.586 57.931 56.400 -0.093 0.000 0.801 248 E CB -0.366 29.296 29.700 -0.063 0.000 0.746 248 E HN 0.549 nan 8.360 nan 0.000 0.450 249 D N -0.153 120.164 120.400 -0.139 0.000 2.117 249 D HA -0.157 4.483 4.640 0.001 0.000 0.197 249 D C 1.848 177.966 176.300 -0.303 0.000 0.987 249 D CA 0.888 54.765 54.000 -0.206 0.000 0.829 249 D CB -0.240 40.454 40.800 -0.176 0.000 0.961 249 D HN 0.150 nan 8.370 nan 0.000 0.460 250 M N -0.335 119.122 119.600 -0.239 0.000 2.080 250 M HA -0.196 4.285 4.480 0.001 0.000 0.260 250 M C 1.764 177.890 176.300 -0.289 0.000 1.068 250 M CA 1.311 56.459 55.300 -0.254 0.000 1.109 250 M CB 0.018 32.496 32.600 -0.204 0.000 1.342 250 M HN -0.074 nan 8.290 nan 0.000 0.405 251 M N 0.466 119.905 119.600 -0.269 0.000 2.108 251 M HA -0.200 4.280 4.480 0.001 0.000 0.261 251 M C 1.905 178.030 176.300 -0.292 0.000 1.066 251 M CA 1.818 56.925 55.300 -0.322 0.000 1.107 251 M CB -1.262 31.182 32.600 -0.260 0.000 1.356 251 M HN 0.293 nan 8.290 nan 0.000 0.406 252 K N -0.296 119.958 120.400 -0.243 0.000 2.103 252 K HA -0.148 4.172 4.320 0.001 0.000 0.207 252 K C 2.112 178.569 176.600 -0.238 0.000 1.048 252 K CA 1.265 57.447 56.287 -0.175 0.000 0.930 252 K CB -0.153 32.260 32.500 -0.145 0.000 0.716 252 K HN 0.368 nan 8.250 nan 0.000 0.444 253 R N 0.270 120.442 120.500 -0.546 0.000 2.090 253 R HA -0.013 4.327 4.340 0.001 0.000 0.228 253 R C 2.389 178.717 176.300 0.047 0.000 1.110 253 R CA 1.071 56.802 56.100 -0.615 0.000 0.973 253 R CB -0.282 29.493 30.300 -0.875 0.000 0.869 253 R HN 0.157 nan 8.270 nan 0.000 0.440 254 A N 0.845 123.631 122.820 -0.056 0.000 1.930 254 A HA -0.086 4.235 4.320 0.001 0.000 0.217 254 A C 2.337 180.003 177.584 0.137 0.000 1.175 254 A CA 1.155 53.209 52.037 0.028 0.000 0.627 254 A CB -0.450 18.416 19.000 -0.222 0.000 0.815 254 A HN 0.097 nan 8.150 nan 0.000 0.443 255 V N -1.213 118.723 119.914 0.036 0.000 2.343 255 V HA -0.224 3.897 4.120 0.001 0.000 0.247 255 V C 2.270 178.570 176.094 0.343 0.000 1.051 255 V CA 2.105 64.521 62.300 0.193 0.000 1.036 255 V CB -0.877 31.011 31.823 0.107 0.000 0.654 255 V HN 0.622 nan 8.190 nan 0.000 0.451 256 F N 1.457 121.549 119.950 0.236 0.000 2.186 256 F HA -0.070 4.457 4.527 0.000 0.000 0.299 256 F C 2.248 178.259 175.800 0.353 0.000 1.090 256 F CA 0.964 59.150 58.000 0.311 0.000 1.307 256 F CB -0.721 38.539 39.000 0.434 0.000 1.019 256 F HN 0.086 nan 8.300 nan 0.000 0.489 257 A N 0.549 123.579 122.820 0.349 0.000 1.933 257 A HA -0.183 4.137 4.320 0.001 0.000 0.218 257 A C 2.463 180.103 177.584 0.094 0.000 1.175 257 A CA 1.428 53.562 52.037 0.162 0.000 0.628 257 A CB -0.730 18.390 19.000 0.200 0.000 0.814 257 A HN 0.299 nan 8.150 nan 0.000 0.444 258 R N 0.063 120.671 120.500 0.181 0.000 2.081 258 R HA -0.148 4.192 4.340 0.001 0.000 0.235 258 R C 2.072 178.437 176.300 0.109 0.000 1.131 258 R CA 1.893 58.090 56.100 0.161 0.000 0.960 258 R CB -0.519 29.928 30.300 0.245 0.000 0.856 258 R HN 0.778 nan 8.270 nan 0.000 0.436 259 E N 0.226 120.497 120.200 0.117 0.000 2.153 259 E HA -0.150 4.200 4.350 0.001 0.000 0.194 259 E C 1.938 178.541 176.600 0.005 0.000 0.988 259 E CA 0.843 57.298 56.400 0.092 0.000 0.811 259 E CB -0.010 29.809 29.700 0.198 0.000 0.746 259 E HN 0.331 nan 8.360 nan 0.000 0.466 260 L N -0.662 120.500 121.223 -0.101 0.000 2.395 260 L HA 0.095 4.435 4.340 0.001 0.000 0.218 260 L C 1.591 178.509 176.870 0.080 0.000 1.130 260 L CA 0.552 55.345 54.840 -0.078 0.000 0.826 260 L CB 0.024 41.950 42.059 -0.222 0.000 0.941 260 L HN 0.419 nan 8.230 nan 0.000 0.451 261 G N 0.481 109.326 108.800 0.073 0.000 2.148 261 G HA2 -0.264 3.697 3.960 0.001 0.000 0.254 261 G HA3 -0.264 3.697 3.960 0.001 0.000 0.254 261 G C 0.413 175.403 174.900 0.150 0.000 0.981 261 G CA 0.247 45.416 45.100 0.115 0.000 0.670 261 G HN 0.253 nan 8.290 nan 0.000 0.528 262 V N -1.899 118.070 119.914 0.090 0.000 2.924 262 V HA 0.615 4.735 4.120 0.001 0.000 0.305 262 V C 0.169 176.292 176.094 0.049 0.000 1.073 262 V CA -0.664 61.659 62.300 0.038 0.000 1.098 262 V CB 1.042 32.834 31.823 -0.052 0.000 1.000 262 V HN 0.109 nan 8.190 nan 0.000 0.484 263 P HA 0.237 nan 4.420 nan 0.000 0.230 263 P C 0.164 177.480 177.300 0.027 0.000 1.168 263 P CA 0.782 63.913 63.100 0.052 0.000 0.793 263 P CB 0.632 32.387 31.700 0.091 0.000 0.851 264 I N -0.081 120.504 120.570 0.024 0.000 2.752 264 I HA 0.340 4.511 4.170 0.001 0.000 0.295 264 I C -1.164 174.929 176.117 -0.039 0.000 1.219 264 I CA -1.294 59.981 61.300 -0.042 0.000 1.030 264 I CB 2.558 40.484 38.000 -0.124 0.000 1.259 264 I HN -0.287 nan 8.210 nan 0.000 0.423 265 V N 4.079 123.953 119.914 -0.066 0.000 3.155 265 V HA 0.736 4.857 4.120 0.001 0.000 0.313 265 V C -0.525 175.539 176.094 -0.050 0.000 1.162 265 V CA -0.827 61.457 62.300 -0.026 0.000 1.048 265 V CB 1.805 33.648 31.823 0.034 0.000 1.092 265 V HN 0.922 nan 8.190 nan 0.000 0.447 266 M N 1.029 120.652 119.600 0.038 0.000 2.593 266 M HA 0.821 5.301 4.480 0.001 0.000 0.290 266 M C -1.405 174.994 176.300 0.164 0.000 1.244 266 M CA -0.453 54.898 55.300 0.086 0.000 0.857 266 M CB 2.361 35.075 32.600 0.190 0.000 1.738 266 M HN 0.996 nan 8.290 nan 0.000 0.461 267 H N -0.096 118.986 119.070 0.020 0.000 2.954 267 H HA 0.473 5.029 4.556 0.001 0.000 0.361 267 H C -1.986 173.369 175.328 0.045 0.000 1.122 267 H CA -0.520 55.538 56.048 0.017 0.000 1.217 267 H CB 1.819 31.577 29.762 -0.007 0.000 1.776 267 H HN 0.776 nan 8.280 nan 0.000 0.533 268 D N 4.962 125.128 120.400 -0.391 0.000 2.468 268 D HA 0.002 4.643 4.640 0.001 0.000 0.218 268 D C 0.859 176.824 176.300 -0.558 0.000 1.155 268 D CA -0.174 53.653 54.000 -0.288 0.000 0.924 268 D CB -0.134 40.537 40.800 -0.215 0.000 1.029 268 D HN 0.609 nan 8.370 nan 0.000 0.515 269 Y N 1.587 121.571 120.300 -0.526 0.000 2.256 269 Y HA -0.170 4.380 4.550 0.001 0.000 0.288 269 Y C 1.311 176.921 175.900 -0.483 0.000 1.155 269 Y CA 1.161 58.978 58.100 -0.472 0.000 1.203 269 Y CB -0.580 37.711 38.460 -0.281 0.000 0.980 269 Y HN 0.254 nan 8.280 nan 0.000 0.530 270 L N 0.368 121.144 121.223 -0.744 0.000 2.127 270 L HA -0.059 4.282 4.340 0.001 0.000 0.203 270 L C 2.667 179.312 176.870 -0.375 0.000 1.080 270 L CA 1.542 55.963 54.840 -0.699 0.000 0.768 270 L CB -0.994 40.680 42.059 -0.642 0.000 0.924 270 L HN 0.407 nan 8.230 nan 0.000 0.444 271 T N -3.020 111.367 114.554 -0.279 0.000 2.904 271 T HA -0.035 4.316 4.350 0.001 0.000 0.267 271 T C 1.891 176.497 174.700 -0.156 0.000 1.059 271 T CA 0.922 62.913 62.100 -0.181 0.000 1.137 271 T CB -0.595 68.190 68.868 -0.138 0.000 0.879 271 T HN 0.348 nan 8.240 nan 0.000 0.467 272 G N 1.251 109.925 108.800 -0.210 0.000 2.408 272 G HA2 0.439 4.400 3.960 0.001 0.000 0.215 272 G HA3 0.439 4.400 3.960 0.001 0.000 0.215 272 G C 0.841 175.724 174.900 -0.030 0.000 1.156 272 G CA 0.168 45.219 45.100 -0.082 0.000 0.793 272 G HN 1.217 nan 8.290 nan 0.000 0.535 273 G N -1.833 106.889 108.800 -0.129 0.000 2.617 273 G HA2 -0.031 3.930 3.960 0.001 0.000 0.686 273 G HA3 -0.031 3.930 3.960 0.001 0.000 0.686 273 G C 0.100 174.967 174.900 -0.054 0.000 1.214 273 G CA -0.218 44.818 45.100 -0.107 0.000 0.796 273 G HN 0.055 nan 8.290 nan 0.000 0.654 274 F N 0.688 120.696 119.950 0.097 0.000 2.186 274 F HA 0.006 4.534 4.527 0.001 0.000 0.299 274 F C 3.118 178.964 175.800 0.076 0.000 1.090 274 F CA 2.282 60.350 58.000 0.115 0.000 1.307 274 F CB -0.571 38.490 39.000 0.103 0.000 1.019 274 F HN 0.565 nan 8.300 nan 0.000 0.489 275 T N -0.139 114.553 114.554 0.230 0.000 2.684 275 T HA -0.220 4.130 4.350 0.001 0.000 0.267 275 T C 2.301 177.043 174.700 0.069 0.000 1.036 275 T CA 1.531 63.706 62.100 0.125 0.000 1.148 275 T CB -0.703 68.221 68.868 0.093 0.000 0.863 275 T HN 0.283 nan 8.240 nan 0.000 0.436 276 A N 1.850 124.712 122.820 0.069 0.000 1.930 276 A HA -0.125 4.196 4.320 0.001 0.000 0.217 276 A C 2.258 179.827 177.584 -0.025 0.000 1.175 276 A CA 1.572 53.618 52.037 0.014 0.000 0.627 276 A CB -0.778 18.246 19.000 0.041 0.000 0.815 276 A HN 0.557 nan 8.150 nan 0.000 0.443 277 N N -0.430 118.336 118.700 0.109 0.000 2.120 277 N HA -0.147 4.594 4.740 0.001 0.000 0.188 277 N C 1.576 177.091 175.510 0.008 0.000 1.024 277 N CA 2.022 55.144 53.050 0.119 0.000 0.852 277 N CB -0.146 38.508 38.487 0.279 0.000 1.003 277 N HN 0.428 nan 8.380 nan 0.000 0.424 278 T N -0.201 114.357 114.554 0.007 0.000 2.746 278 T HA -0.078 4.273 4.350 0.001 0.000 0.267 278 T C 1.852 176.341 174.700 -0.352 0.000 1.039 278 T CA 1.523 63.524 62.100 -0.165 0.000 1.142 278 T CB -0.564 68.234 68.868 -0.117 0.000 0.866 278 T HN 0.296 nan 8.240 nan 0.000 0.444 279 T N 2.205 116.648 114.554 -0.184 0.000 2.684 279 T HA -0.053 4.298 4.350 0.001 0.000 0.267 279 T C 1.885 176.551 174.700 -0.056 0.000 1.036 279 T CA 0.991 63.023 62.100 -0.114 0.000 1.148 279 T CB -0.458 68.373 68.868 -0.063 0.000 0.863 279 T HN 0.127 nan 8.240 nan 0.000 0.436 280 L N 0.986 122.149 121.223 -0.101 0.000 2.093 280 L HA 0.023 4.364 4.340 0.001 0.000 0.208 280 L C 2.616 179.502 176.870 0.027 0.000 1.085 280 L CA 1.826 56.629 54.840 -0.062 0.000 0.755 280 L CB -0.951 40.971 42.059 -0.228 0.000 0.904 280 L HN 0.203 nan 8.230 nan 0.000 0.435 281 S N -1.459 114.224 115.700 -0.029 0.000 2.370 281 S HA -0.253 4.217 4.470 0.001 0.000 0.226 281 S C 2.091 176.760 174.600 0.115 0.000 1.033 281 S CA 1.409 59.614 58.200 0.008 0.000 1.011 281 S CB -0.436 62.748 63.200 -0.026 0.000 0.852 281 S HN 0.670 nan 8.310 nan 0.000 0.457 282 H N -0.680 118.405 119.070 0.024 0.000 2.357 282 H HA -0.003 4.553 4.556 0.001 0.000 0.301 282 H C 1.803 177.147 175.328 0.027 0.000 1.082 282 H CA 1.595 57.652 56.048 0.015 0.000 1.342 282 H CB -1.130 28.649 29.762 0.028 0.000 1.389 282 H HN 0.648 nan 8.280 nan 0.000 0.511 283 Y N 0.599 120.959 120.300 0.099 0.000 2.181 283 Y HA -0.240 4.311 4.550 0.001 0.000 0.288 283 Y C 2.489 178.412 175.900 0.038 0.000 1.146 283 Y CA 1.268 59.398 58.100 0.050 0.000 1.164 283 Y CB -0.583 37.889 38.460 0.021 0.000 0.982 283 Y HN 0.143 nan 8.280 nan 0.000 0.515 284 C N 0.139 119.491 119.300 0.087 0.000 2.425 284 C HA -0.123 4.338 4.460 0.001 0.000 0.277 284 C C 2.749 177.707 174.990 -0.054 0.000 1.280 284 C CA 1.376 60.410 59.018 0.026 0.000 1.744 284 C CB -1.185 26.599 27.740 0.073 0.000 1.989 284 C HN 0.574 nan 8.230 nan 0.000 0.491 285 R N 1.860 122.300 120.500 -0.101 0.000 2.073 285 R HA -0.090 4.251 4.340 0.001 0.000 0.234 285 R C 1.506 177.738 176.300 -0.113 0.000 1.134 285 R CA 2.007 58.005 56.100 -0.170 0.000 0.952 285 R CB -0.902 29.319 30.300 -0.132 0.000 0.850 285 R HN 0.417 nan 8.270 nan 0.000 0.433 286 D N -0.177 120.141 120.400 -0.138 0.000 2.264 286 D HA -0.064 4.577 4.640 0.001 0.000 0.208 286 D C 0.406 176.592 176.300 -0.190 0.000 0.966 286 D CA 0.935 54.843 54.000 -0.153 0.000 0.864 286 D CB -0.042 40.661 40.800 -0.161 0.000 0.933 286 D HN 0.366 nan 8.370 nan 0.000 0.499 287 N N -0.526 118.014 118.700 -0.267 0.000 2.200 287 N HA 0.134 4.874 4.740 0.001 0.000 0.224 287 N C 0.783 176.253 175.510 -0.065 0.000 1.179 287 N CA 0.266 53.178 53.050 -0.230 0.000 0.877 287 N CB 1.731 39.931 38.487 -0.478 0.000 1.072 287 N HN 0.053 nan 8.380 nan 0.000 0.519 288 G N 1.598 110.420 108.800 0.036 0.000 2.225 288 G HA2 -0.275 3.686 3.960 0.001 0.000 0.267 288 G HA3 -0.275 3.686 3.960 0.001 0.000 0.267 288 G C -0.121 174.829 174.900 0.084 0.000 1.024 288 G CA 0.188 45.359 45.100 0.119 0.000 0.784 288 G HN 0.276 nan 8.290 nan 0.000 0.507 289 L N -0.181 121.140 121.223 0.165 0.000 2.295 289 L HA 0.545 4.885 4.340 0.001 0.000 0.285 289 L C 1.066 178.039 176.870 0.173 0.000 1.035 289 L CA -1.023 53.885 54.840 0.113 0.000 0.806 289 L CB 1.338 43.463 42.059 0.111 0.000 1.214 289 L HN 0.060 nan 8.230 nan 0.000 0.426 290 L N 3.737 124.978 121.223 0.029 0.000 2.417 290 L HA 0.243 4.584 4.340 0.001 0.000 0.268 290 L C -0.424 176.399 176.870 -0.078 0.000 1.158 290 L CA -0.269 54.579 54.840 0.013 0.000 0.819 290 L CB 1.126 43.123 42.059 -0.103 0.000 1.112 290 L HN 0.389 nan 8.230 nan 0.000 0.458 291 L N 2.942 124.088 121.223 -0.128 0.000 2.342 291 L HA 0.351 4.691 4.340 0.001 0.000 0.276 291 L C -0.610 176.057 176.870 -0.338 0.000 0.997 291 L CA -0.248 54.486 54.840 -0.175 0.000 0.838 291 L CB 1.093 43.106 42.059 -0.078 0.000 1.224 291 L HN 0.467 nan 8.230 nan 0.000 0.416 292 H N 5.434 124.171 119.070 -0.554 0.000 2.527 292 H HA 0.591 5.147 4.556 0.001 0.000 0.321 292 H C -0.919 174.254 175.328 -0.258 0.000 1.087 292 H CA -0.453 55.211 56.048 -0.640 0.000 1.337 292 H CB 0.791 29.877 29.762 -1.127 0.000 1.440 292 H HN 0.519 nan 8.280 nan 0.000 0.490 293 I N 5.718 125.897 120.570 -0.651 0.000 2.378 293 I HA 0.125 4.296 4.170 0.001 0.000 0.291 293 I C 0.028 175.898 176.117 -0.411 0.000 0.992 293 I CA -0.477 60.588 61.300 -0.391 0.000 1.154 293 I CB 0.977 38.739 38.000 -0.396 0.000 1.315 293 I HN 0.731 nan 8.210 nan 0.000 0.448 294 H N 7.435 126.346 119.070 -0.264 0.000 2.473 294 H HA 0.325 4.882 4.556 0.001 0.000 0.327 294 H C 0.264 175.523 175.328 -0.114 0.000 1.105 294 H CA -0.481 55.376 56.048 -0.319 0.000 1.280 294 H CB 1.447 31.083 29.762 -0.210 0.000 1.450 294 H HN 0.583 nan 8.280 nan 0.000 0.492 295 R N 3.159 123.468 120.500 -0.318 0.000 2.721 295 R HA 0.423 4.763 4.340 0.001 0.000 0.296 295 R C 0.021 176.363 176.300 0.070 0.000 1.174 295 R CA -0.497 55.614 56.100 0.019 0.000 1.129 295 R CB -0.120 30.139 30.300 -0.068 0.000 1.316 295 R HN 0.354 nan 8.270 nan 0.000 0.571 296 A N 1.580 124.550 122.820 0.250 0.000 2.567 296 A HA 0.101 4.421 4.320 0.001 0.000 0.240 296 A C 0.956 178.562 177.584 0.036 0.000 1.053 296 A CA 0.726 52.886 52.037 0.205 0.000 0.755 296 A CB -0.102 18.976 19.000 0.130 0.000 0.978 296 A HN 0.889 nan 8.150 nan 0.000 0.507 297 M N 0.661 120.267 119.600 0.009 0.000 3.023 297 M HA -0.301 4.180 4.480 0.001 0.000 0.214 297 M C 1.017 177.255 176.300 -0.103 0.000 0.575 297 M CA 1.946 57.202 55.300 -0.073 0.000 0.820 297 M CB -2.116 30.424 32.600 -0.099 0.000 2.925 297 M HN 1.269 nan 8.290 nan 0.000 0.297 298 H N -0.390 118.616 119.070 -0.107 0.000 2.390 298 H HA 0.165 4.722 4.556 0.001 0.000 0.298 298 H C 1.734 177.015 175.328 -0.077 0.000 1.106 298 H CA 2.200 58.200 56.048 -0.079 0.000 1.297 298 H CB -0.604 29.141 29.762 -0.027 0.000 1.375 298 H HN 0.519 nan 8.280 nan 0.000 0.509 299 A N 1.061 123.297 122.820 -0.973 0.000 2.121 299 A HA -0.019 4.302 4.320 0.001 0.000 0.218 299 A C 2.501 179.914 177.584 -0.286 0.000 1.154 299 A CA 1.145 52.793 52.037 -0.649 0.000 0.679 299 A CB -0.703 17.927 19.000 -0.616 0.000 0.795 299 A HN 0.373 nan 8.150 nan 0.000 0.458 300 V N -0.247 119.535 119.914 -0.219 0.000 2.515 300 V HA -0.212 3.909 4.120 0.001 0.000 0.250 300 V C 2.190 178.226 176.094 -0.096 0.000 1.058 300 V CA 1.999 64.221 62.300 -0.129 0.000 1.064 300 V CB -0.467 31.291 31.823 -0.108 0.000 0.675 300 V HN 0.614 nan 8.190 nan 0.000 0.461 301 I N 0.576 121.081 120.570 -0.108 0.000 3.081 301 I HA -0.001 4.170 4.170 0.001 0.000 0.274 301 I C 1.542 177.624 176.117 -0.058 0.000 1.178 301 I CA 0.966 62.216 61.300 -0.084 0.000 1.460 301 I CB -0.056 37.881 38.000 -0.105 0.000 1.137 301 I HN 0.454 nan 8.210 nan 0.000 0.443 302 D N -0.386 119.974 120.400 -0.066 0.000 2.440 302 D HA -0.014 4.627 4.640 0.001 0.000 0.216 302 D C 1.745 178.009 176.300 -0.059 0.000 1.150 302 D CA -0.113 53.859 54.000 -0.048 0.000 0.832 302 D CB 0.083 40.878 40.800 -0.008 0.000 0.992 302 D HN -0.056 nan 8.370 nan 0.000 0.502 303 R N 0.298 120.761 120.500 -0.062 0.000 2.062 303 R HA 0.052 4.392 4.340 0.001 0.000 0.226 303 R C 0.453 176.760 176.300 0.013 0.000 1.125 303 R CA 1.108 57.183 56.100 -0.043 0.000 0.966 303 R CB -0.118 30.141 30.300 -0.069 0.000 0.861 303 R HN 0.046 nan 8.270 nan 0.000 0.433 304 Q N 0.820 120.640 119.800 0.033 0.000 2.288 304 Q HA 0.027 4.367 4.340 0.001 0.000 0.254 304 Q C 0.180 176.238 176.000 0.097 0.000 0.932 304 Q CA 0.137 55.979 55.803 0.065 0.000 0.902 304 Q CB 1.461 30.242 28.738 0.072 0.000 1.203 304 Q HN 0.193 nan 8.270 nan 0.000 0.415 305 K N 2.490 122.950 120.400 0.100 0.000 2.211 305 K HA -0.141 4.179 4.320 0.001 0.000 0.203 305 K C 1.229 177.897 176.600 0.114 0.000 1.050 305 K CA 1.372 57.729 56.287 0.117 0.000 0.945 305 K CB 0.316 32.877 32.500 0.102 0.000 0.732 305 K HN 0.590 nan 8.250 nan 0.000 0.451 306 N N -0.823 117.946 118.700 0.115 0.000 2.395 306 N HA -0.114 4.627 4.740 0.001 0.000 0.175 306 N C -0.152 175.477 175.510 0.198 0.000 1.029 306 N CA 0.758 53.885 53.050 0.128 0.000 0.897 306 N CB 0.030 38.582 38.487 0.108 0.000 0.991 306 N HN 0.213 nan 8.380 nan 0.000 0.441 307 H N -1.346 117.783 119.070 0.099 0.000 2.894 307 H HA 0.583 5.139 4.556 0.001 0.000 0.367 307 H C 0.145 175.568 175.328 0.158 0.000 1.144 307 H CA 0.418 56.556 56.048 0.150 0.000 1.180 307 H CB 1.663 31.501 29.762 0.126 0.000 1.758 307 H HN 0.359 nan 8.280 nan 0.000 0.541 308 G N 2.230 111.004 108.800 -0.043 0.000 2.255 308 G HA2 -0.013 3.947 3.960 0.001 0.000 0.216 308 G HA3 -0.013 3.947 3.960 0.001 0.000 0.216 308 G C -1.459 173.452 174.900 0.020 0.000 1.307 308 G CA -0.354 44.733 45.100 -0.022 0.000 1.162 308 G HN 0.649 nan 8.290 nan 0.000 0.494 309 M N 0.712 120.290 119.600 -0.036 0.000 2.326 309 M HA 0.385 4.866 4.480 0.001 0.000 0.292 309 M C -0.378 175.941 176.300 0.032 0.000 1.081 309 M CA -0.811 54.471 55.300 -0.030 0.000 0.919 309 M CB 2.414 34.907 32.600 -0.178 0.000 1.634 309 M HN 0.749 nan 8.290 nan 0.000 0.451 310 H N 1.855 120.933 119.070 0.013 0.000 2.707 310 H HA 0.079 4.635 4.556 0.001 0.000 0.359 310 H C 0.185 175.560 175.328 0.079 0.000 1.113 310 H CA 0.695 56.789 56.048 0.077 0.000 1.422 310 H CB 0.891 30.709 29.762 0.094 0.000 1.443 310 H HN 0.781 nan 8.280 nan 0.000 0.591 311 F N 4.938 124.656 119.950 -0.386 0.000 2.192 311 F HA -0.223 4.304 4.527 0.001 0.000 0.301 311 F C 2.587 178.321 175.800 -0.111 0.000 1.079 311 F CA 1.748 59.600 58.000 -0.245 0.000 1.303 311 F CB -0.115 38.612 39.000 -0.455 0.000 1.024 311 F HN 0.678 nan 8.300 nan 0.000 0.494 312 R N -0.399 120.159 120.500 0.097 0.000 2.159 312 R HA -0.116 4.225 4.340 0.001 0.000 0.237 312 R C 1.709 177.975 176.300 -0.058 0.000 1.131 312 R CA 1.852 57.956 56.100 0.008 0.000 0.982 312 R CB -1.348 29.136 30.300 0.306 0.000 0.868 312 R HN 0.306 nan 8.270 nan 0.000 0.453 313 V N 1.754 121.668 119.914 0.001 0.000 2.407 313 V HA -0.132 3.988 4.120 0.001 0.000 0.245 313 V C 2.437 178.573 176.094 0.069 0.000 1.041 313 V CA 1.341 63.673 62.300 0.053 0.000 1.040 313 V CB -0.374 31.487 31.823 0.063 0.000 0.671 313 V HN 0.267 nan 8.190 nan 0.000 0.455 314 L N 0.232 121.427 121.223 -0.048 0.000 2.141 314 L HA -0.100 4.240 4.340 0.001 0.000 0.209 314 L C 2.693 179.511 176.870 -0.086 0.000 1.094 314 L CA 1.347 56.231 54.840 0.072 0.000 0.763 314 L CB -0.787 41.303 42.059 0.051 0.000 0.908 314 L HN 0.364 nan 8.230 nan 0.000 0.437 315 A N 0.278 122.758 122.820 -0.566 0.000 1.872 315 A HA -0.170 4.151 4.320 0.001 0.000 0.214 315 A C 2.357 179.839 177.584 -0.171 0.000 1.187 315 A CA 1.324 53.051 52.037 -0.517 0.000 0.614 315 A CB -0.251 18.319 19.000 -0.717 0.000 0.826 315 A HN 0.260 nan 8.150 nan 0.000 0.442 316 K N -0.244 120.128 120.400 -0.046 0.000 2.057 316 K HA -0.083 4.238 4.320 0.001 0.000 0.207 316 K C 2.304 178.916 176.600 0.021 0.000 1.049 316 K CA 1.122 57.487 56.287 0.130 0.000 0.931 316 K CB -0.340 32.264 32.500 0.174 0.000 0.714 316 K HN 0.431 nan 8.250 nan 0.000 0.440 317 A N 1.886 124.690 122.820 -0.027 0.000 1.940 317 A HA -0.166 4.154 4.320 0.001 0.000 0.219 317 A C 2.042 179.601 177.584 -0.041 0.000 1.176 317 A CA 1.120 53.057 52.037 -0.166 0.000 0.631 317 A CB -0.543 18.378 19.000 -0.131 0.000 0.814 317 A HN 0.254 nan 8.150 nan 0.000 0.446 318 L N -0.431 120.824 121.223 0.054 0.000 2.056 318 L HA -0.092 4.248 4.340 0.001 0.000 0.207 318 L C 2.419 179.193 176.870 -0.160 0.000 1.078 318 L CA 2.227 57.011 54.840 -0.093 0.000 0.749 318 L CB -0.862 40.943 42.059 -0.424 0.000 0.901 318 L HN 0.526 nan 8.230 nan 0.000 0.433 319 R N -0.474 119.913 120.500 -0.187 0.000 2.120 319 R HA -0.146 4.194 4.340 0.001 0.000 0.234 319 R C 2.353 178.542 176.300 -0.184 0.000 1.123 319 R CA 1.199 57.149 56.100 -0.249 0.000 0.975 319 R CB -0.015 30.003 30.300 -0.470 0.000 0.866 319 R HN 0.412 nan 8.270 nan 0.000 0.446 320 L N -0.835 120.264 121.223 -0.206 0.000 2.049 320 L HA -0.093 4.248 4.340 0.001 0.000 0.203 320 L C 2.586 179.353 176.870 -0.172 0.000 1.074 320 L CA 1.233 55.839 54.840 -0.390 0.000 0.749 320 L CB -0.601 40.845 42.059 -1.022 0.000 0.907 320 L HN 0.230 nan 8.230 nan 0.000 0.439 321 S N -0.721 114.917 115.700 -0.103 0.000 2.353 321 S HA 0.003 4.473 4.470 0.001 0.000 0.222 321 S C 0.849 175.476 174.600 0.044 0.000 1.035 321 S CA 1.187 59.430 58.200 0.071 0.000 1.025 321 S CB -0.260 63.064 63.200 0.207 0.000 0.902 321 S HN 0.608 nan 8.310 nan 0.000 0.440 322 G N -1.679 107.109 108.800 -0.019 0.000 2.957 322 G HA2 0.439 4.400 3.960 0.001 0.000 0.636 322 G HA3 0.439 4.400 3.960 0.001 0.000 0.636 322 G C -0.336 174.510 174.900 -0.089 0.000 1.401 322 G CA -0.429 44.644 45.100 -0.045 0.000 0.941 322 G HN 1.130 nan 8.290 nan 0.000 0.610 323 G N 0.428 109.158 108.800 -0.117 0.000 2.596 323 G HA2 0.581 4.541 3.960 0.001 0.000 0.296 323 G HA3 0.581 4.541 3.960 0.001 0.000 0.296 323 G C -0.195 174.637 174.900 -0.113 0.000 1.513 323 G CA 0.200 45.214 45.100 -0.144 0.000 0.851 323 G HN 0.387 nan 8.290 nan 0.000 0.548 324 D N -0.302 120.038 120.400 -0.099 0.000 2.305 324 D HA 0.102 4.743 4.640 0.001 0.000 0.206 324 D C 0.445 176.849 176.300 0.173 0.000 0.974 324 D CA 1.056 55.061 54.000 0.008 0.000 0.871 324 D CB 0.362 41.171 40.800 0.015 0.000 0.947 324 D HN 0.591 nan 8.370 nan 0.000 0.516 325 H N -0.973 117.989 119.070 -0.180 0.000 2.928 325 H HA 0.629 5.186 4.556 0.001 0.000 0.371 325 H C -0.877 174.277 175.328 -0.290 0.000 1.186 325 H CA -0.882 55.049 56.048 -0.194 0.000 1.134 325 H CB 3.139 32.804 29.762 -0.162 0.000 1.824 325 H HN -0.168 nan 8.280 nan 0.000 0.554 326 I N 1.198 121.719 120.570 -0.081 0.000 2.722 326 I HA 0.127 4.298 4.170 0.001 0.000 0.292 326 I C -0.759 175.357 176.117 -0.002 0.000 1.267 326 I CA -0.465 60.769 61.300 -0.111 0.000 1.036 326 I CB 1.953 39.885 38.000 -0.112 0.000 1.281 326 I HN 0.688 nan 8.210 nan 0.000 0.423 327 H N 4.833 123.779 119.070 -0.207 0.000 2.848 327 H HA 0.121 4.678 4.556 0.001 0.000 0.341 327 H C 0.509 175.728 175.328 -0.182 0.000 1.060 327 H CA 0.611 56.530 56.048 -0.215 0.000 1.444 327 H CB 1.059 30.619 29.762 -0.337 0.000 1.446 327 H HN 0.655 nan 8.280 nan 0.000 0.583 328 S N 1.718 117.389 115.700 -0.049 0.000 2.666 328 S HA 0.314 4.784 4.470 0.001 0.000 0.239 328 S C 0.884 175.574 174.600 0.149 0.000 1.031 328 S CA 0.043 58.336 58.200 0.156 0.000 1.015 328 S CB 1.062 64.460 63.200 0.330 0.000 0.981 328 S HN 1.087 nan 8.310 nan 0.000 0.547 329 G N 1.207 109.983 108.800 -0.039 0.000 2.707 329 G HA2 -0.061 3.900 3.960 0.001 0.000 0.686 329 G HA3 -0.061 3.900 3.960 0.001 0.000 0.686 329 G C 0.257 175.196 174.900 0.064 0.000 1.315 329 G CA 0.145 45.248 45.100 0.005 0.000 0.832 329 G HN 0.990 nan 8.290 nan 0.000 0.573 330 T N -3.184 111.394 114.554 0.040 0.000 2.955 330 T HA 0.465 4.815 4.350 0.001 0.000 0.251 330 T C 1.794 176.556 174.700 0.103 0.000 1.002 330 T CA 1.431 63.577 62.100 0.077 0.000 0.970 330 T CB 0.462 69.272 68.868 -0.095 0.000 1.091 330 T HN 2.296 nan 8.240 nan 0.000 0.495 331 V N 0.651 120.594 119.914 0.048 0.000 0.500 331 V HA -0.323 3.797 4.120 0.001 0.000 0.092 331 V C 2.006 178.096 176.094 -0.007 0.000 2.319 331 V CA 1.858 64.168 62.300 0.017 0.000 3.608 331 V CB -1.884 29.928 31.823 -0.018 0.000 0.893 331 V HN 0.743 nan 8.190 nan 0.000 0.936 332 V N -0.571 119.309 119.914 -0.057 0.000 3.649 332 V HA 0.656 4.776 4.120 0.001 0.000 0.275 332 V C 1.203 177.188 176.094 -0.181 0.000 1.281 332 V CA 1.414 63.648 62.300 -0.110 0.000 1.143 332 V CB -0.178 31.530 31.823 -0.192 0.000 0.892 332 V HN 0.945 nan 8.190 nan 0.000 0.441 333 G N 1.350 110.034 108.800 -0.193 0.000 2.531 333 G HA2 0.280 4.240 3.960 0.001 0.000 0.253 333 G HA3 0.280 4.240 3.960 0.001 0.000 0.253 333 G C 0.725 175.370 174.900 -0.424 0.000 1.439 333 G CA -0.008 44.919 45.100 -0.289 0.000 1.056 333 G HN 0.498 nan 8.290 nan 0.000 0.555 334 K N -1.235 118.703 120.400 -0.770 0.000 2.366 334 K HA 0.144 4.465 4.320 0.001 0.000 0.198 334 K C 0.382 176.795 176.600 -0.311 0.000 1.044 334 K CA 0.453 56.242 56.287 -0.830 0.000 0.973 334 K CB -0.212 31.783 32.500 -0.843 0.000 0.767 334 K HN 0.204 nan 8.250 nan 0.000 0.475 335 L N 1.913 123.010 121.223 -0.209 0.000 2.331 335 L HA 0.292 4.632 4.340 0.001 0.000 0.275 335 L C 0.037 176.878 176.870 -0.047 0.000 1.022 335 L CA -1.055 53.721 54.840 -0.107 0.000 0.812 335 L CB 1.761 43.772 42.059 -0.079 0.000 1.257 335 L HN 0.136 nan 8.230 nan 0.000 0.435 336 E N 1.066 121.255 120.200 -0.019 0.000 2.413 336 E HA 0.392 4.743 4.350 0.001 0.000 0.263 336 E C -0.346 176.284 176.600 0.050 0.000 1.015 336 E CA 0.065 56.480 56.400 0.024 0.000 0.916 336 E CB 0.747 30.460 29.700 0.022 0.000 0.947 336 E HN 0.756 nan 8.360 nan 0.000 0.440 337 G N 4.034 112.877 108.800 0.071 0.000 1.984 337 G HA2 0.042 4.003 3.960 0.001 0.000 0.313 337 G HA3 0.042 4.003 3.960 0.001 0.000 0.313 337 G C -1.245 173.700 174.900 0.076 0.000 1.632 337 G CA -0.738 44.422 45.100 0.100 0.000 0.963 337 G HN 0.398 nan 8.290 nan 0.000 0.595 338 E N 1.820 122.072 120.200 0.088 0.000 2.313 338 E HA 0.202 4.553 4.350 0.001 0.000 0.276 338 E C 1.340 177.934 176.600 -0.010 0.000 1.031 338 E CA -0.676 55.753 56.400 0.049 0.000 0.857 338 E CB 2.270 32.012 29.700 0.070 0.000 1.040 338 E HN 0.662 nan 8.360 nan 0.000 0.408 339 R N 2.481 122.957 120.500 -0.040 0.000 2.115 339 R HA -0.237 4.104 4.340 0.001 0.000 0.239 339 R C 0.871 177.096 176.300 -0.126 0.000 1.133 339 R CA 2.239 58.278 56.100 -0.102 0.000 0.935 339 R CB 0.053 30.300 30.300 -0.087 0.000 0.853 339 R HN 0.428 nan 8.270 nan 0.000 0.433 340 D N -0.047 120.307 120.400 -0.078 0.000 2.097 340 D HA -0.123 4.518 4.640 0.001 0.000 0.195 340 D C 1.897 178.144 176.300 -0.089 0.000 0.989 340 D CA 1.358 55.312 54.000 -0.077 0.000 0.827 340 D CB -0.085 40.689 40.800 -0.043 0.000 0.966 340 D HN 0.307 nan 8.370 nan 0.000 0.456 341 I N 0.337 120.879 120.570 -0.046 0.000 2.226 341 I HA -0.246 3.925 4.170 0.001 0.000 0.245 341 I C 2.191 178.159 176.117 -0.247 0.000 1.100 341 I CA 1.040 62.341 61.300 0.002 0.000 1.374 341 I CB -0.345 37.769 38.000 0.190 0.000 1.057 341 I HN 0.014 nan 8.210 nan 0.000 0.413 342 T N 1.409 115.718 114.554 -0.409 0.000 2.674 342 T HA -0.141 4.210 4.350 0.001 0.000 0.265 342 T C 1.963 176.193 174.700 -0.784 0.000 1.039 342 T CA 1.286 62.818 62.100 -0.947 0.000 1.150 342 T CB -0.387 68.235 68.868 -0.411 0.000 0.864 342 T HN 0.235 nan 8.240 nan 0.000 0.427 343 L N 0.719 121.700 121.223 -0.404 0.000 2.127 343 L HA -0.059 4.282 4.340 0.001 0.000 0.211 343 L C 2.944 179.705 176.870 -0.183 0.000 1.089 343 L CA 1.252 55.934 54.840 -0.263 0.000 0.757 343 L CB -1.039 40.903 42.059 -0.194 0.000 0.899 343 L HN 0.372 nan 8.230 nan 0.000 0.434 344 G N 1.145 109.838 108.800 -0.178 0.000 2.480 344 G HA2 -0.327 3.633 3.960 0.001 0.000 0.216 344 G HA3 -0.327 3.633 3.960 0.001 0.000 0.216 344 G C 1.279 176.214 174.900 0.058 0.000 1.200 344 G CA 1.078 46.151 45.100 -0.045 0.000 0.782 344 G HN 0.490 nan 8.290 nan 0.000 0.554 345 F N 0.493 120.526 119.950 0.139 0.000 2.502 345 F HA 0.251 4.779 4.527 0.001 0.000 0.298 345 F C 2.149 178.031 175.800 0.136 0.000 1.111 345 F CA -0.004 58.090 58.000 0.156 0.000 1.445 345 F CB -0.812 38.320 39.000 0.219 0.000 1.081 345 F HN 0.001 nan 8.300 nan 0.000 0.558 346 V N 1.167 121.172 119.914 0.152 0.000 2.453 346 V HA -0.218 3.903 4.120 0.001 0.000 0.247 346 V C 2.070 178.238 176.094 0.124 0.000 1.048 346 V CA 2.175 64.586 62.300 0.184 0.000 1.049 346 V CB -0.619 31.274 31.823 0.116 0.000 0.672 346 V HN 0.225 nan 8.190 nan 0.000 0.457 347 D N 0.164 120.617 120.400 0.087 0.000 2.117 347 D HA -0.113 4.528 4.640 0.001 0.000 0.197 347 D C 2.090 178.459 176.300 0.114 0.000 0.987 347 D CA 1.135 55.186 54.000 0.084 0.000 0.829 347 D CB -0.248 40.594 40.800 0.070 0.000 0.961 347 D HN 0.329 nan 8.370 nan 0.000 0.460 348 L N 0.090 121.416 121.223 0.171 0.000 2.191 348 L HA -0.116 4.225 4.340 0.001 0.000 0.212 348 L C 2.331 179.235 176.870 0.057 0.000 1.103 348 L CA 0.509 55.497 54.840 0.247 0.000 0.769 348 L CB -0.152 42.090 42.059 0.305 0.000 0.908 348 L HN 0.058 nan 8.230 nan 0.000 0.438 349 L N -1.214 120.013 121.223 0.007 0.000 2.202 349 L HA -0.031 4.309 4.340 0.001 0.000 0.205 349 L C 2.611 179.361 176.870 -0.200 0.000 1.083 349 L CA 0.785 55.544 54.840 -0.136 0.000 0.790 349 L CB -0.127 41.933 42.059 0.002 0.000 0.942 349 L HN 0.154 nan 8.230 nan 0.000 0.452 350 R N -0.908 119.539 120.500 -0.089 0.000 2.175 350 R HA 0.079 4.420 4.340 0.001 0.000 0.202 350 R C -0.084 176.176 176.300 -0.068 0.000 1.018 350 R CA 0.060 56.116 56.100 -0.073 0.000 1.029 350 R CB 0.198 30.497 30.300 -0.001 0.000 0.959 350 R HN 0.219 nan 8.270 nan 0.000 0.480 351 D N 0.394 120.781 120.400 -0.021 0.000 2.348 351 D HA -0.002 4.638 4.640 0.001 0.000 0.249 351 D C 0.231 176.595 176.300 0.106 0.000 1.110 351 D CA -0.069 53.965 54.000 0.057 0.000 0.967 351 D CB 1.047 41.919 40.800 0.120 0.000 1.139 351 D HN -0.102 nan 8.370 nan 0.000 0.466 352 D N -1.258 119.260 120.400 0.196 0.000 2.333 352 D HA -0.059 4.581 4.640 0.001 0.000 0.208 352 D C -0.737 175.853 176.300 0.483 0.000 0.984 352 D CA 0.399 54.586 54.000 0.312 0.000 0.873 352 D CB 0.216 41.146 40.800 0.216 0.000 0.935 352 D HN 0.342 nan 8.370 nan 0.000 0.521 353 Y N -0.676 119.768 120.300 0.241 0.000 2.436 353 Y HA 0.390 4.940 4.550 0.001 0.000 0.327 353 Y C -1.646 174.349 175.900 0.158 0.000 1.138 353 Y CA -0.735 57.474 58.100 0.182 0.000 1.042 353 Y CB 1.663 40.187 38.460 0.106 0.000 1.302 353 Y HN -0.310 nan 8.280 nan 0.000 0.439 354 T N 5.735 120.111 114.554 -0.296 0.000 2.881 354 T HA 0.236 4.586 4.350 0.001 0.000 0.291 354 T C -0.966 173.481 174.700 -0.421 0.000 0.990 354 T CA -0.700 61.287 62.100 -0.189 0.000 0.976 354 T CB 1.437 70.314 68.868 0.015 0.000 0.970 354 T HN 0.686 nan 8.240 nan 0.000 0.438 355 E N 2.284 122.320 120.200 -0.274 0.000 2.349 355 E HA 0.219 4.569 4.350 0.001 0.000 0.265 355 E C 0.202 176.753 176.600 -0.081 0.000 1.064 355 E CA -0.753 55.537 56.400 -0.184 0.000 0.886 355 E CB 0.753 30.469 29.700 0.027 0.000 1.036 355 E HN 0.443 nan 8.360 nan 0.000 0.413 356 K N 2.407 122.778 120.400 -0.049 0.000 2.550 356 K HA -0.135 4.185 4.320 0.001 0.000 0.280 356 K C -1.034 175.536 176.600 -0.050 0.000 0.987 356 K CA 0.691 56.958 56.287 -0.034 0.000 1.048 356 K CB 0.310 32.798 32.500 -0.019 0.000 0.879 356 K HN 0.385 nan 8.250 nan 0.000 0.491 357 D N 3.774 124.126 120.400 -0.079 0.000 2.351 357 D HA 0.151 4.791 4.640 0.001 0.000 0.235 357 D C 0.228 176.442 176.300 -0.144 0.000 1.331 357 D CA -0.491 53.457 54.000 -0.086 0.000 0.959 357 D CB 0.590 41.359 40.800 -0.052 0.000 1.432 357 D HN 0.496 nan 8.370 nan 0.000 0.544 358 R N 0.856 121.242 120.500 -0.191 0.000 2.193 358 R HA -0.059 4.281 4.340 0.001 0.000 0.229 358 R C 1.763 177.950 176.300 -0.188 0.000 1.110 358 R CA 1.111 57.043 56.100 -0.280 0.000 0.988 358 R CB -0.503 29.630 30.300 -0.280 0.000 0.871 358 R HN 0.505 nan 8.270 nan 0.000 0.458 359 S N 0.141 115.771 115.700 -0.117 0.000 2.474 359 S HA -0.037 4.434 4.470 0.001 0.000 0.235 359 S C 1.540 176.098 174.600 -0.069 0.000 0.997 359 S CA 0.594 58.747 58.200 -0.078 0.000 0.949 359 S CB 0.012 63.178 63.200 -0.055 0.000 0.766 359 S HN 0.265 nan 8.310 nan 0.000 0.517 360 R N 0.265 120.718 120.500 -0.079 0.000 2.543 360 R HA 0.321 4.662 4.340 0.001 0.000 0.323 360 R C 1.083 177.350 176.300 -0.055 0.000 1.002 360 R CA 0.297 56.363 56.100 -0.057 0.000 1.106 360 R CB 0.427 30.698 30.300 -0.048 0.000 1.280 360 R HN 0.512 nan 8.270 nan 0.000 0.549 361 G N 1.839 110.572 108.800 -0.112 0.000 2.153 361 G HA2 -0.273 3.688 3.960 0.001 0.000 0.252 361 G HA3 -0.273 3.688 3.960 0.001 0.000 0.252 361 G C 0.129 174.988 174.900 -0.068 0.000 0.994 361 G CA -0.069 44.959 45.100 -0.120 0.000 0.698 361 G HN 0.294 nan 8.290 nan 0.000 0.521 362 I N 0.800 121.306 120.570 -0.106 0.000 2.287 362 I HA 0.300 4.471 4.170 0.001 0.000 0.290 362 I C 1.344 177.394 176.117 -0.110 0.000 1.069 362 I CA -0.934 60.362 61.300 -0.007 0.000 1.237 362 I CB 0.422 38.427 38.000 0.007 0.000 1.418 362 I HN 0.080 nan 8.210 nan 0.000 0.481 363 Y N 5.347 125.560 120.300 -0.145 0.000 2.373 363 Y HA 0.070 4.620 4.550 0.001 0.000 0.293 363 Y C 0.320 175.897 175.900 -0.538 0.000 1.129 363 Y CA 0.848 58.714 58.100 -0.390 0.000 1.226 363 Y CB -0.075 37.995 38.460 -0.650 0.000 1.000 363 Y HN 0.311 nan 8.280 nan 0.000 0.549 364 F N -2.278 117.776 119.950 0.173 0.000 2.613 364 F HA 0.398 4.926 4.527 0.001 0.000 0.314 364 F C 0.109 175.901 175.800 -0.015 0.000 1.075 364 F CA -1.644 56.410 58.000 0.090 0.000 0.945 364 F CB 0.986 40.042 39.000 0.093 0.000 1.310 364 F HN -0.532 nan 8.300 nan 0.000 0.467 365 T N 1.410 116.051 114.554 0.144 0.000 2.851 365 T HA 0.318 4.668 4.350 0.001 0.000 0.298 365 T C -0.615 174.008 174.700 -0.127 0.000 0.977 365 T CA -0.154 61.899 62.100 -0.078 0.000 1.126 365 T CB 0.827 69.635 68.868 -0.101 0.000 0.916 365 T HN 0.424 nan 8.240 nan 0.000 0.529 366 Q N 2.201 121.848 119.800 -0.255 0.000 2.325 366 Q HA 0.516 4.856 4.340 0.001 0.000 0.270 366 Q C -1.079 174.696 176.000 -0.375 0.000 1.020 366 Q CA -0.336 55.279 55.803 -0.313 0.000 0.785 366 Q CB 1.341 29.925 28.738 -0.257 0.000 1.259 366 Q HN 0.596 nan 8.270 nan 0.000 0.452 367 S N 3.051 118.553 115.700 -0.330 0.000 2.593 367 S HA 0.473 4.944 4.470 0.001 0.000 0.297 367 S C -0.651 173.760 174.600 -0.315 0.000 1.112 367 S CA -0.501 57.648 58.200 -0.086 0.000 1.043 367 S CB 0.597 63.862 63.200 0.109 0.000 1.054 367 S HN 0.825 nan 8.310 nan 0.000 0.516 368 W N 0.530 121.876 121.300 0.077 0.000 2.714 368 W HA 0.225 4.886 4.660 0.001 0.000 0.353 368 W C 0.447 176.988 176.519 0.036 0.000 0.999 368 W CA -0.462 56.904 57.345 0.035 0.000 1.629 368 W CB -0.101 29.373 29.460 0.023 0.000 1.106 368 W HN 0.587 nan 8.180 nan 0.000 0.545 369 V N -0.125 119.918 119.914 0.214 0.000 5.578 369 V HA -0.382 3.738 4.120 0.001 0.000 0.275 369 V C 0.687 176.865 176.094 0.140 0.000 0.642 369 V CA 0.757 63.143 62.300 0.143 0.000 0.613 369 V CB -2.529 29.351 31.823 0.094 0.000 0.301 369 V HN 0.487 nan 8.190 nan 0.000 0.782 370 S N -2.185 113.607 115.700 0.153 0.000 3.228 370 S HA -0.206 4.264 4.470 0.001 0.000 0.282 370 S C 0.681 175.338 174.600 0.095 0.000 1.286 370 S CA 1.339 59.605 58.200 0.110 0.000 1.066 370 S CB -1.741 61.504 63.200 0.075 0.000 1.277 370 S HN 1.555 nan 8.310 nan 0.000 0.661 371 T N 3.781 118.418 114.554 0.138 0.000 2.902 371 T HA 0.291 4.642 4.350 0.001 0.000 0.301 371 T C -1.904 172.789 174.700 -0.011 0.000 1.012 371 T CA -0.360 61.791 62.100 0.084 0.000 1.151 371 T CB 0.291 69.258 68.868 0.164 0.000 0.946 371 T HN 0.082 nan 8.240 nan 0.000 0.542 372 P HA 0.178 nan 4.420 nan 0.000 0.266 372 P C 0.417 177.637 177.300 -0.133 0.000 1.193 372 P CA -0.123 62.946 63.100 -0.052 0.000 0.770 372 P CB 0.370 32.053 31.700 -0.029 0.000 0.836 373 G N 1.209 109.941 108.800 -0.113 0.000 2.539 373 G HA2 0.432 4.393 3.960 0.001 0.000 0.258 373 G HA3 0.432 4.393 3.960 0.001 0.000 0.258 373 G C -0.770 174.056 174.900 -0.122 0.000 1.202 373 G CA -0.377 44.626 45.100 -0.161 0.000 0.851 373 G HN 0.356 nan 8.290 nan 0.000 0.556 374 V N 1.797 121.624 119.914 -0.145 0.000 2.483 374 V HA 0.253 4.373 4.120 0.001 0.000 0.295 374 V C -0.060 176.001 176.094 -0.056 0.000 1.035 374 V CA -0.905 61.338 62.300 -0.095 0.000 0.896 374 V CB 1.581 33.322 31.823 -0.137 0.000 0.986 374 V HN 0.552 nan 8.190 nan 0.000 0.447 375 L N 8.574 129.775 121.223 -0.036 0.000 2.369 375 L HA 0.402 4.742 4.340 0.001 0.000 0.279 375 L C -2.006 174.797 176.870 -0.111 0.000 1.108 375 L CA -1.606 53.180 54.840 -0.089 0.000 0.852 375 L CB 0.733 42.678 42.059 -0.191 0.000 1.169 375 L HN 0.448 nan 8.230 nan 0.000 0.452 376 P HA 0.124 nan 4.420 nan 0.000 0.280 376 P C -1.086 176.065 177.300 -0.248 0.000 1.244 376 P CA -0.234 62.811 63.100 -0.091 0.000 0.784 376 P CB 1.306 33.014 31.700 0.013 0.000 0.913 377 V N 3.025 122.773 119.914 -0.278 0.000 2.357 377 V HA 0.483 4.604 4.120 0.001 0.000 0.284 377 V C 0.519 176.291 176.094 -0.538 0.000 1.018 377 V CA -0.820 61.238 62.300 -0.402 0.000 0.841 377 V CB 1.134 32.744 31.823 -0.356 0.000 0.991 377 V HN 0.681 nan 8.190 nan 0.000 0.437 378 A N 3.958 126.407 122.820 -0.618 0.000 2.276 378 A HA 0.801 5.122 4.320 0.001 0.000 0.300 378 A C 0.100 177.399 177.584 -0.476 0.000 1.235 378 A CA -0.165 51.523 52.037 -0.581 0.000 0.867 378 A CB 0.899 19.453 19.000 -0.743 0.000 1.137 378 A HN 0.856 nan 8.150 nan 0.000 0.527 379 S N 1.584 117.055 115.700 -0.380 0.000 2.537 379 S HA 0.740 5.210 4.470 0.001 0.000 0.270 379 S C -0.521 173.955 174.600 -0.207 0.000 1.142 379 S CA 0.418 58.423 58.200 -0.324 0.000 0.870 379 S CB 1.321 64.345 63.200 -0.295 0.000 1.112 379 S HN 2.602 nan 8.310 nan 0.000 0.466 380 G N 1.586 110.261 108.800 -0.209 0.000 2.992 380 G HA2 0.447 4.408 3.960 0.001 0.000 0.677 380 G HA3 0.447 4.408 3.960 0.001 0.000 0.677 380 G C 0.881 175.636 174.900 -0.242 0.000 1.191 380 G CA 0.365 45.361 45.100 -0.173 0.000 1.178 380 G HN 2.174 nan 8.290 nan 0.000 0.506 381 G N 0.289 108.968 108.800 -0.203 0.000 2.160 381 G HA2 -0.043 3.917 3.960 0.001 0.000 0.251 381 G HA3 -0.043 3.917 3.960 0.001 0.000 0.251 381 G C 0.653 175.546 174.900 -0.011 0.000 1.008 381 G CA 0.951 45.924 45.100 -0.211 0.000 0.724 381 G HN 2.283 nan 8.290 nan 0.000 0.514 382 I N -1.912 118.636 120.570 -0.036 0.000 2.676 382 I HA 0.949 5.120 4.170 0.001 0.000 0.309 382 I C 0.250 176.582 176.117 0.359 0.000 0.990 382 I CA -1.262 60.116 61.300 0.129 0.000 1.168 382 I CB 1.534 39.475 38.000 -0.099 0.000 1.343 382 I HN 0.341 nan 8.210 nan 0.000 0.482 383 H N 1.073 120.473 119.070 0.549 0.000 2.942 383 H HA 0.444 5.001 4.556 0.001 0.000 0.316 383 H C 0.644 176.042 175.328 0.116 0.000 1.323 383 H CA -0.468 55.666 56.048 0.143 0.000 1.144 383 H CB 0.606 30.217 29.762 -0.252 0.000 1.866 383 H HN 0.364 nan 8.280 nan 0.000 0.545 384 V N -2.816 117.165 119.914 0.112 0.000 2.313 384 V HA -0.313 3.807 4.120 0.001 0.000 0.253 384 V C 1.412 177.460 176.094 -0.077 0.000 1.070 384 V CA 2.072 64.312 62.300 -0.100 0.000 1.057 384 V CB -1.319 30.361 31.823 -0.238 0.000 0.653 384 V HN 0.814 nan 8.190 nan 0.000 0.450 385 W N -0.359 121.036 121.300 0.158 0.000 2.525 385 W HA 0.015 4.675 4.660 0.001 0.000 0.259 385 W C 2.608 179.100 176.519 -0.046 0.000 1.253 385 W CA 1.112 58.478 57.345 0.035 0.000 1.262 385 W CB -0.434 29.075 29.460 0.082 0.000 1.122 385 W HN 0.366 nan 8.180 nan 0.000 0.607 386 H N -0.980 118.187 119.070 0.162 0.000 2.535 386 H HA 0.012 4.569 4.556 0.001 0.000 0.273 386 H C 1.909 177.314 175.328 0.129 0.000 0.983 386 H CA 0.930 57.034 56.048 0.094 0.000 1.238 386 H CB -0.444 29.317 29.762 -0.003 0.000 1.412 386 H HN 0.155 nan 8.280 nan 0.000 0.562 387 M N 1.370 121.105 119.600 0.225 0.000 2.088 387 M HA -0.123 4.358 4.480 0.001 0.000 0.256 387 M C -0.881 175.507 176.300 0.147 0.000 1.071 387 M CA 1.910 57.313 55.300 0.172 0.000 1.097 387 M CB -0.961 31.674 32.600 0.059 0.000 1.315 387 M HN 0.090 nan 8.290 nan 0.000 0.406 388 P HA -0.097 nan 4.420 nan 0.000 0.215 388 P C 1.086 178.452 177.300 0.110 0.000 1.153 388 P CA 2.218 65.383 63.100 0.108 0.000 0.853 388 P CB -0.311 31.453 31.700 0.108 0.000 0.788 389 A N -0.801 122.097 122.820 0.131 0.000 1.898 389 A HA -0.151 4.169 4.320 0.001 0.000 0.216 389 A C 2.209 179.854 177.584 0.101 0.000 1.181 389 A CA 1.405 53.504 52.037 0.103 0.000 0.620 389 A CB -1.640 17.433 19.000 0.121 0.000 0.819 389 A HN 0.101 nan 8.150 nan 0.000 0.442 390 L N -0.764 120.559 121.223 0.166 0.000 2.027 390 L HA -0.153 4.187 4.340 0.001 0.000 0.206 390 L C 2.798 179.822 176.870 0.256 0.000 1.074 390 L CA 1.781 56.774 54.840 0.256 0.000 0.745 390 L CB -0.934 41.279 42.059 0.256 0.000 0.898 390 L HN 0.336 nan 8.230 nan 0.000 0.433 391 T N -1.141 113.518 114.554 0.175 0.000 2.746 391 T HA -0.218 4.133 4.350 0.001 0.000 0.267 391 T C 1.815 176.574 174.700 0.099 0.000 1.039 391 T CA 1.302 63.486 62.100 0.139 0.000 1.142 391 T CB -0.154 68.776 68.868 0.105 0.000 0.866 391 T HN 0.317 nan 8.240 nan 0.000 0.444 392 E N 0.781 121.021 120.200 0.066 0.000 2.047 392 E HA -0.075 4.275 4.350 0.001 0.000 0.191 392 E C 2.229 178.806 176.600 -0.039 0.000 0.987 392 E CA 0.894 57.306 56.400 0.020 0.000 0.799 392 E CB -0.169 29.541 29.700 0.016 0.000 0.752 392 E HN 0.499 nan 8.360 nan 0.000 0.449 393 I N -0.204 120.303 120.570 -0.106 0.000 2.163 393 I HA -0.240 3.930 4.170 0.001 0.000 0.240 393 I C 2.061 177.932 176.117 -0.410 0.000 1.081 393 I CA 1.104 62.204 61.300 -0.333 0.000 1.353 393 I CB -0.254 37.400 38.000 -0.577 0.000 1.054 393 I HN 0.039 nan 8.210 nan 0.000 0.407 394 F N 0.531 120.474 119.950 -0.011 0.000 2.473 394 F HA 0.307 4.834 4.527 0.001 0.000 0.294 394 F C 1.611 177.410 175.800 -0.001 0.000 1.103 394 F CA 0.638 58.631 58.000 -0.012 0.000 1.442 394 F CB -0.767 38.222 39.000 -0.018 0.000 1.097 394 F HN 0.164 nan 8.300 nan 0.000 0.547 395 G N 0.636 109.532 108.800 0.160 0.000 2.741 395 G HA2 -0.273 3.688 3.960 0.001 0.000 0.222 395 G HA3 -0.273 3.688 3.960 0.001 0.000 0.222 395 G C 0.170 175.137 174.900 0.111 0.000 1.364 395 G CA -0.022 45.141 45.100 0.106 0.000 0.866 395 G HN 0.122 nan 8.290 nan 0.000 0.555 396 D N 0.425 120.873 120.400 0.081 0.000 2.144 396 D HA 0.012 4.652 4.640 0.001 0.000 0.199 396 D C 1.054 177.390 176.300 0.060 0.000 0.984 396 D CA 1.466 55.508 54.000 0.070 0.000 0.834 396 D CB -0.127 40.713 40.800 0.067 0.000 0.955 396 D HN 0.402 nan 8.370 nan 0.000 0.465 397 D N 0.649 121.087 120.400 0.062 0.000 2.551 397 D HA 0.171 4.811 4.640 0.001 0.000 0.223 397 D C -0.021 176.292 176.300 0.021 0.000 1.144 397 D CA 0.101 54.125 54.000 0.040 0.000 1.025 397 D CB -0.123 40.703 40.800 0.043 0.000 1.085 397 D HN 0.045 nan 8.370 nan 0.000 0.506 398 S N -1.324 114.365 115.700 -0.019 0.000 2.611 398 S HA 0.567 5.037 4.470 0.001 0.000 0.268 398 S C -1.066 173.460 174.600 -0.123 0.000 1.156 398 S CA -0.938 57.199 58.200 -0.105 0.000 0.817 398 S CB 1.634 64.761 63.200 -0.122 0.000 1.122 398 S HN -0.083 nan 8.310 nan 0.000 0.466 399 V N 1.671 121.466 119.914 -0.200 0.000 2.487 399 V HA 0.507 4.627 4.120 0.001 0.000 0.298 399 V C -0.813 175.161 176.094 -0.200 0.000 1.028 399 V CA -0.611 61.614 62.300 -0.126 0.000 0.860 399 V CB 1.204 32.960 31.823 -0.112 0.000 0.991 399 V HN 0.815 nan 8.190 nan 0.000 0.427 400 L N 5.122 126.274 121.223 -0.119 0.000 2.272 400 L HA 0.581 4.922 4.340 0.001 0.000 0.289 400 L C -0.121 176.598 176.870 -0.253 0.000 1.032 400 L CA -0.347 54.366 54.840 -0.212 0.000 0.810 400 L CB 1.304 43.364 42.059 0.001 0.000 1.205 400 L HN 0.609 nan 8.230 nan 0.000 0.422 401 Q N 3.522 123.018 119.800 -0.506 0.000 2.316 401 Q HA 0.516 4.856 4.340 0.001 0.000 0.264 401 Q C -1.468 174.107 176.000 -0.708 0.000 0.987 401 Q CA -0.464 55.096 55.803 -0.405 0.000 0.852 401 Q CB 2.425 31.016 28.738 -0.245 0.000 1.287 401 Q HN 0.414 nan 8.270 nan 0.000 0.448 402 F N 0.935 120.850 119.950 -0.058 0.000 2.552 402 F HA 0.340 4.868 4.527 0.001 0.000 0.369 402 F C 0.876 176.645 175.800 -0.053 0.000 1.112 402 F CA -0.647 57.316 58.000 -0.062 0.000 1.129 402 F CB 1.243 40.208 39.000 -0.058 0.000 1.360 402 F HN 0.748 nan 8.300 nan 0.000 0.473 403 G N 1.450 110.277 108.800 0.045 0.000 2.572 403 G HA2 0.038 3.999 3.960 0.001 0.000 0.214 403 G HA3 0.038 3.999 3.960 0.001 0.000 0.214 403 G C 1.768 176.704 174.900 0.059 0.000 1.246 403 G CA 0.628 45.750 45.100 0.037 0.000 0.835 403 G HN 0.728 nan 8.290 nan 0.000 0.551 404 G N 0.545 109.370 108.800 0.041 0.000 2.448 404 G HA2 0.118 4.079 3.960 0.001 0.000 0.219 404 G HA3 0.118 4.079 3.960 0.001 0.000 0.219 404 G C 1.617 176.526 174.900 0.014 0.000 1.127 404 G CA 1.268 46.401 45.100 0.056 0.000 0.766 404 G HN 0.669 nan 8.290 nan 0.000 0.552 405 G N -0.717 108.046 108.800 -0.062 0.000 2.776 405 G HA2 0.170 4.131 3.960 0.001 0.000 0.209 405 G HA3 0.170 4.131 3.960 0.001 0.000 0.209 405 G C 1.365 176.297 174.900 0.054 0.000 1.145 405 G CA 1.479 46.436 45.100 -0.238 0.000 0.791 405 G HN 0.397 nan 8.290 nan 0.000 0.530 406 T N 0.194 114.839 114.554 0.152 0.000 3.182 406 T HA 0.087 4.437 4.350 0.001 0.000 0.244 406 T C 1.835 176.647 174.700 0.188 0.000 0.981 406 T CA -0.128 62.066 62.100 0.156 0.000 1.182 406 T CB -0.042 68.879 68.868 0.090 0.000 1.043 406 T HN 0.035 nan 8.240 nan 0.000 0.424 407 L N 1.748 123.060 121.223 0.147 0.000 2.622 407 L HA 0.279 4.620 4.340 0.001 0.000 0.233 407 L C 2.127 179.114 176.870 0.195 0.000 1.156 407 L CA 0.847 55.766 54.840 0.132 0.000 0.866 407 L CB -0.396 41.707 42.059 0.074 0.000 0.980 407 L HN 0.378 nan 8.230 nan 0.000 0.448 408 G N -3.088 105.899 108.800 0.312 0.000 3.233 408 G HA2 -0.052 3.908 3.960 0.001 0.000 0.234 408 G HA3 -0.052 3.908 3.960 0.001 0.000 0.234 408 G C 0.433 175.561 174.900 0.381 0.000 1.137 408 G CA -0.279 45.060 45.100 0.399 0.000 0.763 408 G HN 0.284 nan 8.290 nan 0.000 0.549 409 H N 2.000 121.213 119.070 0.238 0.000 2.803 409 H HA 0.127 4.683 4.556 0.001 0.000 0.330 409 H C -1.065 174.239 175.328 -0.038 0.000 1.057 409 H CA -1.299 54.757 56.048 0.014 0.000 1.458 409 H CB 2.168 31.951 29.762 0.035 0.000 1.470 409 H HN -0.005 nan 8.280 nan 0.000 0.560 410 P HA -0.170 nan 4.420 nan 0.000 0.218 410 P C 0.671 178.179 177.300 0.347 0.000 1.146 410 P CA 1.237 64.306 63.100 -0.052 0.000 0.813 410 P CB 0.064 31.618 31.700 -0.244 0.000 0.778 411 W N 0.121 121.562 121.300 0.235 0.000 3.220 411 W HA 0.502 5.162 4.660 0.002 0.000 0.328 411 W C 1.160 177.741 176.519 0.105 0.000 1.205 411 W CA 0.497 57.943 57.345 0.168 0.000 1.773 411 W CB -0.577 28.990 29.460 0.179 0.000 1.086 411 W HN 0.082 nan 8.180 nan 0.000 0.622 412 G N 0.714 109.706 108.800 0.320 0.000 2.498 412 G HA2 -0.267 3.693 3.960 0.001 0.000 0.651 412 G HA3 -0.267 3.693 3.960 0.001 0.000 0.651 412 G C 0.597 175.546 174.900 0.080 0.000 1.284 412 G CA -0.221 44.974 45.100 0.159 0.000 0.950 412 G HN -0.062 nan 8.290 nan 0.000 0.511 413 N N -0.013 118.703 118.700 0.027 0.000 2.106 413 N HA 0.016 4.757 4.740 0.001 0.000 0.188 413 N C 2.735 178.197 175.510 -0.079 0.000 1.029 413 N CA 2.507 55.544 53.050 -0.020 0.000 0.848 413 N CB -0.722 37.743 38.487 -0.035 0.000 1.007 413 N HN 1.069 nan 8.380 nan 0.000 0.423 414 A N 1.467 124.232 122.820 -0.092 0.000 1.877 414 A HA -0.055 4.266 4.320 0.001 0.000 0.216 414 A C -0.225 177.282 177.584 -0.127 0.000 1.186 414 A CA 1.437 53.404 52.037 -0.117 0.000 0.620 414 A CB -1.519 17.413 19.000 -0.114 0.000 0.822 414 A HN 0.236 nan 8.150 nan 0.000 0.443 415 P HA -0.006 nan 4.420 nan 0.000 0.221 415 P C 1.616 178.546 177.300 -0.616 0.000 1.150 415 P CA 1.413 64.359 63.100 -0.256 0.000 0.800 415 P CB -0.246 31.412 31.700 -0.071 0.000 0.787 416 G N 0.316 108.787 108.800 -0.549 0.000 2.408 416 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 416 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 416 G C 1.602 176.386 174.900 -0.193 0.000 1.150 416 G CA 0.854 45.730 45.100 -0.374 0.000 0.776 416 G HN 0.291 nan 8.290 nan 0.000 0.542 417 A N 0.229 122.955 122.820 -0.157 0.000 1.873 417 A HA 0.110 4.431 4.320 0.001 0.000 0.215 417 A C 2.598 180.104 177.584 -0.129 0.000 1.186 417 A CA 1.736 53.704 52.037 -0.115 0.000 0.616 417 A CB -0.652 18.292 19.000 -0.094 0.000 0.823 417 A HN 0.240 nan 8.150 nan 0.000 0.442 418 V N 0.120 119.951 119.914 -0.138 0.000 2.332 418 V HA -0.284 3.836 4.120 0.001 0.000 0.248 418 V C 3.059 179.073 176.094 -0.133 0.000 1.055 418 V CA 2.000 64.236 62.300 -0.107 0.000 1.038 418 V CB -1.381 30.394 31.823 -0.080 0.000 0.651 418 V HN 0.615 nan 8.190 nan 0.000 0.450 419 A N 0.504 123.212 122.820 -0.187 0.000 1.883 419 A HA -0.305 4.015 4.320 0.001 0.000 0.217 419 A C 2.047 179.506 177.584 -0.209 0.000 1.186 419 A CA 2.530 54.455 52.037 -0.186 0.000 0.624 419 A CB -0.889 18.033 19.000 -0.129 0.000 0.822 419 A HN 0.702 nan 8.150 nan 0.000 0.444 420 N N -1.253 117.303 118.700 -0.241 0.000 2.142 420 N HA -0.152 4.588 4.740 0.001 0.000 0.186 420 N C 1.971 177.354 175.510 -0.212 0.000 1.023 420 N CA 1.326 54.165 53.050 -0.352 0.000 0.852 420 N CB -0.147 38.045 38.487 -0.492 0.000 0.998 420 N HN 0.435 nan 8.380 nan 0.000 0.424 421 R N 1.205 121.626 120.500 -0.131 0.000 2.073 421 R HA -0.019 4.321 4.340 0.001 0.000 0.234 421 R C 1.791 178.069 176.300 -0.037 0.000 1.134 421 R CA 1.123 57.184 56.100 -0.066 0.000 0.952 421 R CB -0.817 29.455 30.300 -0.046 0.000 0.850 421 R HN 0.017 nan 8.270 nan 0.000 0.433 422 V N 0.907 120.798 119.914 -0.040 0.000 2.295 422 V HA -0.230 3.891 4.120 0.001 0.000 0.246 422 V C 2.364 178.438 176.094 -0.033 0.000 1.049 422 V CA 2.006 64.313 62.300 0.012 0.000 1.024 422 V CB -0.986 30.814 31.823 -0.037 0.000 0.648 422 V HN 0.564 nan 8.190 nan 0.000 0.447 423 A N -0.287 122.458 122.820 -0.125 0.000 1.908 423 A HA -0.229 4.091 4.320 0.001 0.000 0.218 423 A C 2.176 179.724 177.584 -0.061 0.000 1.181 423 A CA 2.268 54.222 52.037 -0.139 0.000 0.627 423 A CB -0.612 18.259 19.000 -0.215 0.000 0.818 423 A HN 0.469 nan 8.150 nan 0.000 0.445 424 L N 0.012 121.207 121.223 -0.046 0.000 2.017 424 L HA -0.140 4.201 4.340 0.001 0.000 0.208 424 L C 2.208 179.095 176.870 0.029 0.000 1.073 424 L CA 2.435 57.279 54.840 0.007 0.000 0.745 424 L CB -0.610 41.459 42.059 0.017 0.000 0.894 424 L HN 0.510 nan 8.230 nan 0.000 0.432 425 E N -0.469 119.752 120.200 0.035 0.000 2.150 425 E HA -0.189 4.162 4.350 0.001 0.000 0.193 425 E C 2.123 178.768 176.600 0.075 0.000 0.985 425 E CA 0.931 57.364 56.400 0.055 0.000 0.814 425 E CB -0.238 29.500 29.700 0.063 0.000 0.752 425 E HN 0.675 nan 8.360 nan 0.000 0.466 426 A N 0.770 123.643 122.820 0.089 0.000 1.898 426 A HA -0.175 4.145 4.320 0.001 0.000 0.216 426 A C 2.415 180.041 177.584 0.069 0.000 1.181 426 A CA 1.058 53.159 52.037 0.108 0.000 0.620 426 A CB -0.745 18.313 19.000 0.096 0.000 0.819 426 A HN 0.334 nan 8.150 nan 0.000 0.442 427 C N -1.277 118.052 119.300 0.049 0.000 2.446 427 C HA -0.040 4.420 4.460 0.001 0.000 0.277 427 C C 2.750 177.771 174.990 0.053 0.000 1.275 427 C CA 0.983 60.031 59.018 0.050 0.000 1.727 427 C CB -1.188 26.582 27.740 0.050 0.000 2.010 427 C HN 0.455 nan 8.230 nan 0.000 0.486 428 V N 0.673 120.618 119.914 0.052 0.000 2.295 428 V HA -0.297 3.823 4.120 0.001 0.000 0.246 428 V C 2.506 178.627 176.094 0.045 0.000 1.049 428 V CA 2.286 64.616 62.300 0.049 0.000 1.024 428 V CB -0.932 30.920 31.823 0.047 0.000 0.648 428 V HN 0.634 nan 8.190 nan 0.000 0.447 429 Q N -0.025 119.803 119.800 0.047 0.000 2.030 429 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 429 Q C 2.283 178.307 176.000 0.041 0.000 0.986 429 Q CA 2.195 58.023 55.803 0.041 0.000 0.843 429 Q CB -0.335 28.429 28.738 0.044 0.000 0.904 429 Q HN 0.611 nan 8.270 nan 0.000 0.420 430 A N 1.419 124.268 122.820 0.049 0.000 1.883 430 A HA -0.257 4.063 4.320 0.001 0.000 0.217 430 A C 2.158 179.765 177.584 0.039 0.000 1.186 430 A CA 1.732 53.796 52.037 0.046 0.000 0.624 430 A CB -0.816 18.215 19.000 0.052 0.000 0.822 430 A HN 0.486 nan 8.150 nan 0.000 0.444 431 R N 0.041 120.566 120.500 0.041 0.000 2.080 431 R HA -0.170 4.170 4.340 0.001 0.000 0.236 431 R C 1.930 178.249 176.300 0.031 0.000 1.137 431 R CA 1.973 58.095 56.100 0.037 0.000 0.943 431 R CB -0.569 29.755 30.300 0.040 0.000 0.846 431 R HN 0.744 nan 8.270 nan 0.000 0.431 432 N N 0.057 118.775 118.700 0.031 0.000 2.223 432 N HA -0.158 4.583 4.740 0.001 0.000 0.185 432 N C 1.128 176.651 175.510 0.022 0.000 1.016 432 N CA 1.130 54.195 53.050 0.026 0.000 0.863 432 N CB -0.011 38.491 38.487 0.025 0.000 0.983 432 N HN 0.436 nan 8.380 nan 0.000 0.429 433 E N -0.256 119.958 120.200 0.023 0.000 2.511 433 E HA 0.011 4.362 4.350 0.001 0.000 0.196 433 E C 0.920 177.532 176.600 0.020 0.000 1.066 433 E CA 0.175 56.588 56.400 0.020 0.000 0.871 433 E CB 0.247 29.960 29.700 0.022 0.000 0.863 433 E HN 0.484 nan 8.360 nan 0.000 0.520 434 G N 1.677 110.490 108.800 0.022 0.000 2.163 434 G HA2 -0.231 3.730 3.960 0.001 0.000 0.213 434 G HA3 -0.231 3.730 3.960 0.001 0.000 0.213 434 G C 0.145 175.059 174.900 0.023 0.000 0.991 434 G CA -0.461 44.651 45.100 0.020 0.000 0.653 434 G HN 0.059 nan 8.290 nan 0.000 0.518 435 R N 0.494 121.010 120.500 0.027 0.000 2.490 435 R HA 0.339 4.679 4.340 0.001 0.000 0.278 435 R C -0.756 175.562 176.300 0.031 0.000 1.069 435 R CA -0.537 55.581 56.100 0.030 0.000 1.080 435 R CB 0.701 31.022 30.300 0.035 0.000 1.030 435 R HN 0.169 nan 8.270 nan 0.000 0.491 436 D N 3.188 123.606 120.400 0.030 0.000 2.393 436 D HA 0.046 4.686 4.640 0.001 0.000 0.232 436 D C 1.183 177.505 176.300 0.037 0.000 1.192 436 D CA -0.062 53.956 54.000 0.029 0.000 0.882 436 D CB 0.642 41.457 40.800 0.025 0.000 1.038 436 D HN 0.416 nan 8.370 nan 0.000 0.499 437 L N 3.030 124.277 121.223 0.039 0.000 2.127 437 L HA -0.173 4.168 4.340 0.001 0.000 0.211 437 L C 2.345 179.246 176.870 0.052 0.000 1.089 437 L CA 1.216 56.085 54.840 0.049 0.000 0.757 437 L CB -0.332 41.757 42.059 0.050 0.000 0.899 437 L HN 0.429 nan 8.230 nan 0.000 0.434 438 A N 0.093 122.937 122.820 0.039 0.000 1.898 438 A HA -0.152 4.168 4.320 0.001 0.000 0.216 438 A C 2.430 180.038 177.584 0.040 0.000 1.181 438 A CA 1.325 53.384 52.037 0.037 0.000 0.620 438 A CB -0.285 18.728 19.000 0.022 0.000 0.819 438 A HN 0.330 nan 8.150 nan 0.000 0.442 439 R N -0.598 119.923 120.500 0.036 0.000 2.075 439 R HA 0.035 4.375 4.340 0.001 0.000 0.220 439 R C 1.484 177.811 176.300 0.044 0.000 1.118 439 R CA 1.192 57.313 56.100 0.035 0.000 0.986 439 R CB -0.145 30.172 30.300 0.027 0.000 0.884 439 R HN 0.591 nan 8.270 nan 0.000 0.439 440 E N 0.253 120.482 120.200 0.048 0.000 2.489 440 E HA 0.050 4.401 4.350 0.001 0.000 0.193 440 E C 1.669 178.314 176.600 0.075 0.000 1.057 440 E CA 0.170 56.604 56.400 0.057 0.000 0.866 440 E CB 0.336 30.065 29.700 0.049 0.000 0.916 440 E HN 0.388 nan 8.360 nan 0.000 0.500 441 G N 2.549 111.399 108.800 0.084 0.000 2.574 441 G HA2 -0.382 3.578 3.960 0.001 0.000 0.220 441 G HA3 -0.382 3.578 3.960 0.001 0.000 0.220 441 G C 1.461 176.453 174.900 0.154 0.000 1.173 441 G CA 1.337 46.503 45.100 0.110 0.000 0.772 441 G HN 0.196 nan 8.290 nan 0.000 0.585 442 N N -0.050 118.763 118.700 0.188 0.000 2.166 442 N HA -0.045 4.695 4.740 0.001 0.000 0.186 442 N C 2.409 178.063 175.510 0.240 0.000 1.019 442 N CA 1.619 54.849 53.050 0.300 0.000 0.856 442 N CB -0.408 38.200 38.487 0.201 0.000 0.993 442 N HN 0.319 nan 8.380 nan 0.000 0.426 443 T N 0.680 115.317 114.554 0.139 0.000 2.737 443 T HA -0.000 4.350 4.350 0.001 0.000 0.265 443 T C 1.961 176.708 174.700 0.079 0.000 1.038 443 T CA 0.736 62.896 62.100 0.100 0.000 1.144 443 T CB -0.251 68.660 68.868 0.072 0.000 0.866 443 T HN 0.170 nan 8.240 nan 0.000 0.434 444 I N 0.920 121.533 120.570 0.071 0.000 2.163 444 I HA -0.170 4.001 4.170 0.001 0.000 0.243 444 I C 2.215 178.333 176.117 0.002 0.000 1.085 444 I CA 1.014 62.343 61.300 0.049 0.000 1.347 444 I CB -0.383 37.648 38.000 0.052 0.000 1.044 444 I HN 0.187 nan 8.210 nan 0.000 0.408 445 I N 0.642 121.197 120.570 -0.025 0.000 2.226 445 I HA -0.236 3.934 4.170 0.001 0.000 0.245 445 I C 2.646 178.640 176.117 -0.205 0.000 1.100 445 I CA 1.597 62.785 61.300 -0.186 0.000 1.374 445 I CB -1.261 36.518 38.000 -0.368 0.000 1.057 445 I HN 0.266 nan 8.210 nan 0.000 0.413 446 R N 0.617 121.088 120.500 -0.047 0.000 2.096 446 R HA -0.175 4.166 4.340 0.001 0.000 0.235 446 R C 2.130 178.398 176.300 -0.053 0.000 1.127 446 R CA 1.268 57.363 56.100 -0.008 0.000 0.968 446 R CB -0.243 30.122 30.300 0.109 0.000 0.861 446 R HN 0.502 nan 8.270 nan 0.000 0.440 447 E N 0.604 120.792 120.200 -0.020 0.000 2.051 447 E HA -0.178 4.173 4.350 0.001 0.000 0.192 447 E C 2.040 178.597 176.600 -0.071 0.000 0.991 447 E CA 1.248 57.656 56.400 0.013 0.000 0.799 447 E CB -0.134 29.614 29.700 0.079 0.000 0.748 447 E HN 0.358 nan 8.360 nan 0.000 0.449 448 A N 1.222 123.932 122.820 -0.183 0.000 2.019 448 A HA -0.170 4.150 4.320 0.001 0.000 0.219 448 A C 2.385 179.406 177.584 -0.939 0.000 1.164 448 A CA 1.869 53.551 52.037 -0.591 0.000 0.644 448 A CB -0.969 17.781 19.000 -0.417 0.000 0.805 448 A HN 0.406 nan 8.150 nan 0.000 0.449 449 T N -2.493 111.753 114.554 -0.515 0.000 3.007 449 T HA -0.056 4.294 4.350 0.001 0.000 0.270 449 T C 1.583 176.087 174.700 -0.327 0.000 1.107 449 T CA 1.174 63.020 62.100 -0.422 0.000 1.118 449 T CB -0.151 68.558 68.868 -0.265 0.000 0.889 449 T HN 0.333 nan 8.240 nan 0.000 0.506 450 K N 1.192 121.427 120.400 -0.275 0.000 2.148 450 K HA 0.012 4.333 4.320 0.001 0.000 0.204 450 K C 2.004 178.604 176.600 -0.000 0.000 1.050 450 K CA 1.180 57.417 56.287 -0.082 0.000 0.942 450 K CB -0.370 32.151 32.500 0.035 0.000 0.724 450 K HN 0.849 nan 8.250 nan 0.000 0.446 451 W N -0.288 121.008 121.300 -0.005 0.000 3.127 451 W HA 0.380 5.040 4.660 0.000 0.000 0.344 451 W C -0.011 176.508 176.519 0.001 0.000 1.151 451 W CA -0.504 56.841 57.345 0.000 0.000 1.765 451 W CB 0.033 29.491 29.460 -0.002 0.000 1.085 451 W HN -0.175 nan 8.180 nan 0.000 0.596 452 S N 2.631 118.099 115.700 -0.386 0.000 2.622 452 S HA 0.383 4.854 4.470 0.001 0.000 0.283 452 S C -1.616 172.866 174.600 -0.197 0.000 1.197 452 S CA -1.262 56.758 58.200 -0.300 0.000 1.146 452 S CB 1.316 64.090 63.200 -0.709 0.000 1.007 452 S HN -0.307 nan 8.310 nan 0.000 0.478 453 P HA -0.069 nan 4.420 nan 0.000 0.218 453 P C 0.886 178.085 177.300 -0.169 0.000 1.148 453 P CA 1.003 64.125 63.100 0.036 0.000 0.822 453 P CB 0.255 32.131 31.700 0.294 0.000 0.784 454 E N -0.679 119.443 120.200 -0.130 0.000 2.051 454 E HA -0.149 4.201 4.350 0.001 0.000 0.192 454 E C 1.844 178.307 176.600 -0.227 0.000 0.991 454 E CA 0.801 57.052 56.400 -0.248 0.000 0.799 454 E CB -1.267 28.357 29.700 -0.127 0.000 0.748 454 E HN 0.113 nan 8.360 nan 0.000 0.449 455 L N 0.505 121.575 121.223 -0.256 0.000 2.056 455 L HA -0.024 4.317 4.340 0.001 0.000 0.207 455 L C 2.045 178.721 176.870 -0.323 0.000 1.078 455 L CA 2.009 56.672 54.840 -0.295 0.000 0.749 455 L CB -0.959 40.867 42.059 -0.387 0.000 0.901 455 L HN 0.112 nan 8.230 nan 0.000 0.433 456 A N -0.267 122.364 122.820 -0.316 0.000 1.883 456 A HA -0.189 4.131 4.320 0.001 0.000 0.217 456 A C 2.465 179.863 177.584 -0.310 0.000 1.186 456 A CA 2.159 54.035 52.037 -0.268 0.000 0.624 456 A CB -1.296 17.587 19.000 -0.195 0.000 0.822 456 A HN 0.588 nan 8.150 nan 0.000 0.444 457 A N -0.427 122.119 122.820 -0.456 0.000 1.933 457 A HA 0.163 4.483 4.320 0.001 0.000 0.218 457 A C 2.470 179.638 177.584 -0.694 0.000 1.175 457 A CA 2.111 53.760 52.037 -0.647 0.000 0.628 457 A CB -0.896 17.379 19.000 -1.208 0.000 0.814 457 A HN 1.066 nan 8.150 nan 0.000 0.444 458 A N -1.137 121.339 122.820 -0.573 0.000 1.897 458 A HA -0.117 4.204 4.320 0.001 0.000 0.215 458 A C 2.286 179.683 177.584 -0.311 0.000 1.181 458 A CA 1.513 53.263 52.037 -0.478 0.000 0.620 458 A CB -1.217 17.755 19.000 -0.048 0.000 0.821 458 A HN 0.575 nan 8.150 nan 0.000 0.443 459 C N -0.375 118.781 119.300 -0.241 0.000 2.429 459 C HA -0.108 4.353 4.460 0.001 0.000 0.277 459 C C 2.648 177.729 174.990 0.151 0.000 1.262 459 C CA 1.238 60.233 59.018 -0.038 0.000 1.733 459 C CB -1.318 26.313 27.740 -0.182 0.000 2.010 459 C HN 0.689 nan 8.230 nan 0.000 0.483 460 E N 0.259 120.406 120.200 -0.088 0.000 2.085 460 E HA -0.190 4.161 4.350 0.001 0.000 0.194 460 E C 2.107 178.582 176.600 -0.208 0.000 0.994 460 E CA 1.500 57.829 56.400 -0.118 0.000 0.801 460 E CB -0.173 29.418 29.700 -0.182 0.000 0.743 460 E HN 0.506 nan 8.360 nan 0.000 0.453 461 V N 0.163 119.818 119.914 -0.431 0.000 2.358 461 V HA -0.182 3.939 4.120 0.001 0.000 0.246 461 V C 1.387 177.150 176.094 -0.553 0.000 1.047 461 V CA 1.247 63.158 62.300 -0.650 0.000 1.035 461 V CB -0.301 30.793 31.823 -1.216 0.000 0.658 461 V HN 0.434 nan 8.190 nan 0.000 0.452 462 W N 0.069 121.287 121.300 -0.136 0.000 3.239 462 W HA 0.325 4.985 4.660 0.001 0.000 0.368 462 W C 1.898 178.274 176.519 -0.239 0.000 1.154 462 W CA -0.744 56.424 57.345 -0.295 0.000 1.860 462 W CB -0.349 28.729 29.460 -0.637 0.000 1.094 462 W HN 0.298 nan 8.180 nan 0.000 0.643 463 K N 1.531 121.963 120.400 0.054 0.000 2.059 463 K HA -0.220 4.101 4.320 0.001 0.000 0.212 463 K C 1.243 177.656 176.600 -0.313 0.000 1.050 463 K CA 1.787 57.937 56.287 -0.228 0.000 0.927 463 K CB 0.173 32.570 32.500 -0.171 0.000 0.714 463 K HN -0.221 nan 8.250 nan 0.000 0.447 464 E N 0.390 120.487 120.200 -0.172 0.000 2.451 464 E HA 0.066 4.416 4.350 0.001 0.000 0.194 464 E C -0.535 176.003 176.600 -0.102 0.000 1.027 464 E CA -0.035 56.274 56.400 -0.152 0.000 0.914 464 E CB 0.387 30.010 29.700 -0.129 0.000 1.054 464 E HN 0.258 nan 8.360 nan 0.000 0.461 465 I N 1.852 122.389 120.570 -0.054 0.000 2.301 465 I HA 0.193 4.363 4.170 0.001 0.000 0.292 465 I C 0.181 176.307 176.117 0.016 0.000 1.046 465 I CA -0.295 60.979 61.300 -0.044 0.000 1.282 465 I CB 0.192 38.215 38.000 0.037 0.000 1.409 465 I HN -0.267 nan 8.210 nan 0.000 0.484 466 K N 5.663 125.949 120.400 -0.191 0.000 2.443 466 K HA 0.661 4.982 4.320 0.001 0.000 0.251 466 K C -1.242 175.136 176.600 -0.369 0.000 0.972 466 K CA -0.363 55.870 56.287 -0.092 0.000 0.833 466 K CB 2.144 34.632 32.500 -0.019 0.000 1.317 466 K HN 0.155 nan 8.250 nan 0.000 0.441 467 F N 1.384 121.420 119.950 0.144 0.000 2.532 467 F HA 0.331 4.858 4.527 0.001 0.000 0.365 467 F C -0.606 175.246 175.800 0.088 0.000 1.112 467 F CA -0.513 57.583 58.000 0.160 0.000 1.082 467 F CB 1.509 40.633 39.000 0.207 0.000 1.319 467 F HN 0.307 nan 8.300 nan 0.000 0.457 468 E N 4.027 124.218 120.200 -0.015 0.000 2.235 468 E HA 0.558 4.908 4.350 0.001 0.000 0.252 468 E C -1.349 175.027 176.600 -0.373 0.000 0.886 468 E CA -0.508 55.837 56.400 -0.093 0.000 0.767 468 E CB 1.870 31.499 29.700 -0.120 0.000 1.205 468 E HN 0.305 nan 8.360 nan 0.000 0.421 469 F N 1.078 121.075 119.950 0.079 0.000 2.613 469 F HA 0.405 4.933 4.527 0.001 0.000 0.310 469 F C -2.103 173.727 175.800 0.050 0.000 1.085 469 F CA -2.250 55.787 58.000 0.062 0.000 0.945 469 F CB 1.056 40.098 39.000 0.071 0.000 1.298 469 F HN 0.241 nan 8.300 nan 0.000 0.455 470 P HA 0.365 nan 4.420 nan 0.000 0.268 470 P C -1.043 176.338 177.300 0.134 0.000 1.204 470 P CA -0.262 62.924 63.100 0.143 0.000 0.768 470 P CB 0.566 32.335 31.700 0.116 0.000 0.842 471 A N 3.208 126.091 122.820 0.104 0.000 2.354 471 A HA 0.331 4.651 4.320 0.001 0.000 0.269 471 A C 1.116 178.746 177.584 0.077 0.000 1.109 471 A CA -0.399 51.693 52.037 0.091 0.000 0.800 471 A CB 0.283 19.336 19.000 0.088 0.000 1.045 471 A HN 0.474 nan 8.150 nan 0.000 0.489 472 M N 0.661 120.300 119.600 0.066 0.000 2.248 472 M HA 0.034 4.515 4.480 0.001 0.000 0.265 472 M C 0.420 176.766 176.300 0.077 0.000 1.079 472 M CA 0.973 56.309 55.300 0.060 0.000 1.150 472 M CB -1.282 31.342 32.600 0.040 0.000 1.366 472 M HN 0.825 nan 8.290 nan 0.000 0.433 473 D N 2.327 122.783 120.400 0.092 0.000 2.411 473 D HA 0.274 4.915 4.640 0.001 0.000 0.225 473 D C -0.150 176.240 176.300 0.150 0.000 1.156 473 D CA 0.054 54.134 54.000 0.134 0.000 0.874 473 D CB 0.765 41.654 40.800 0.147 0.000 1.034 473 D HN 0.307 nan 8.370 nan 0.000 0.502 474 T N -0.138 114.495 114.554 0.132 0.000 2.669 474 T HA 0.794 5.145 4.350 0.001 0.000 0.283 474 T C -0.529 174.232 174.700 0.101 0.000 1.019 474 T CA -0.765 61.401 62.100 0.110 0.000 1.039 474 T CB 1.422 70.336 68.868 0.077 0.000 1.374 474 T HN 0.292 nan 8.240 nan 0.000 0.523 475 V N 0.000 119.955 119.914 0.069 0.000 2.409 475 V HA 0.000 4.120 4.120 0.001 0.000 0.244 475 V CA 0.000 62.330 62.300 0.050 0.000 1.235 475 V CB 0.000 31.854 31.823 0.052 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556