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 2du5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKFDPQKYRE LAEKDFEAAW KAGKEILAER SPNELYPRVG FSFGKEHPLF DATA SEQUENCE ATIQRLREAY LSIGFSEVVN PLIVEDVHVK KQFGREALAV LDRCFYLATL DATA SEQUENCE PKPNXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXLKPISST LTLRSHMTTG WFITLSHIAD DATA SEQUENCE KLPLPIKLFS IDRCFRREQG EDATRLYTYF SASCVLVDEE LSVDDGKAVA DATA SEQUENCE EALLRQFGFE NFRFRKDEKR SKYYIPDTQT EVFAFHPKLV GSSTKYSDGW DATA SEQUENCE IEIATFGIYS PTALAEYDIP YPVMNLGLGV ERLAMILYGY DDVRKMVYPQ DATA SEQUENCE IHGEIKLSDL DIAREIKVKE VPQTAVGLKI AQSIVETAEK HASEPSPCSF DATA SEQUENCE LAFEGEMMGR NVRVYVVNEN ENTKLCGPAY ANEVVVYKGD IYGIPKTKKW DATA SEQUENCE RSFFEEGVPT GIRYIDGFAY YAARKVEEAA MREQEEVKVK ARIVENLSDI DATA SEQUENCE NLYIHENVRR YILWKKGKID VRGPLFVTVK AEIE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.379 176.300 0.131 0.000 1.140 1 M CA 0.000 55.352 55.300 0.086 0.000 0.988 1 M CB 0.000 32.646 32.600 0.076 0.000 1.302 2 K N 2.061 122.492 120.400 0.051 0.000 2.402 2 K HA 0.362 4.683 4.320 0.001 0.000 0.285 2 K C -1.253 175.363 176.600 0.027 0.000 1.054 2 K CA -0.083 56.177 56.287 -0.046 0.000 1.001 2 K CB 0.174 32.624 32.500 -0.082 0.000 0.946 2 K HN 0.525 nan 8.250 nan 0.000 0.473 3 F N 1.128 121.091 119.950 0.022 0.000 2.450 3 F HA 0.444 4.971 4.527 0.001 0.000 0.361 3 F C -0.031 175.820 175.800 0.085 0.000 1.092 3 F CA -1.239 56.805 58.000 0.074 0.000 1.105 3 F CB 0.433 39.474 39.000 0.068 0.000 1.458 3 F HN 0.301 nan 8.300 nan 0.000 0.496 4 D N 0.349 121.000 120.400 0.418 0.000 2.344 4 D HA 0.338 4.979 4.640 0.001 0.000 0.239 4 D C -2.142 174.399 176.300 0.401 0.000 1.064 4 D CA -2.161 51.989 54.000 0.250 0.000 0.829 4 D CB 2.073 42.980 40.800 0.179 0.000 1.129 4 D HN 0.121 nan 8.370 nan 0.000 0.506 5 P HA -0.207 nan 4.420 nan 0.000 0.213 5 P C 1.520 178.974 177.300 0.257 0.000 1.176 5 P CA 1.215 64.492 63.100 0.294 0.000 0.919 5 P CB 0.347 32.136 31.700 0.148 0.000 0.791 6 Q N -0.090 119.810 119.800 0.166 0.000 1.978 6 Q HA -0.265 4.076 4.340 0.001 0.000 0.211 6 Q C 2.031 178.111 176.000 0.133 0.000 1.013 6 Q CA 1.993 57.872 55.803 0.126 0.000 0.869 6 Q CB -1.023 27.766 28.738 0.085 0.000 0.953 6 Q HN 0.105 nan 8.270 nan 0.000 0.415 7 K N -0.110 120.368 120.400 0.129 0.000 2.023 7 K HA -0.219 4.101 4.320 0.001 0.000 0.227 7 K C 2.092 178.706 176.600 0.024 0.000 1.054 7 K CA 2.101 58.423 56.287 0.058 0.000 0.977 7 K CB -1.080 31.452 32.500 0.053 0.000 0.733 7 K HN 0.292 nan 8.250 nan 0.000 0.451 8 Y N 0.158 120.510 120.300 0.087 0.000 2.274 8 Y HA -0.151 4.400 4.550 0.001 0.000 0.290 8 Y C 2.563 178.515 175.900 0.086 0.000 1.145 8 Y CA 1.669 59.803 58.100 0.057 0.000 1.203 8 Y CB -0.129 38.333 38.460 0.003 0.000 0.984 8 Y HN 0.103 nan 8.280 nan 0.000 0.533 9 R N 0.821 121.470 120.500 0.248 0.000 2.073 9 R HA -0.205 4.135 4.340 0.001 0.000 0.234 9 R C 2.196 178.573 176.300 0.128 0.000 1.134 9 R CA 2.085 58.293 56.100 0.180 0.000 0.952 9 R CB -0.173 30.218 30.300 0.152 0.000 0.850 9 R HN 0.614 nan 8.270 nan 0.000 0.433 10 E N 0.119 120.376 120.200 0.095 0.000 2.060 10 E HA -0.178 4.173 4.350 0.001 0.000 0.189 10 E C 2.143 178.774 176.600 0.053 0.000 0.974 10 E CA 0.702 57.140 56.400 0.063 0.000 0.808 10 E CB -0.682 29.044 29.700 0.043 0.000 0.768 10 E HN 0.352 nan 8.360 nan 0.000 0.453 11 L N 0.736 121.973 121.223 0.023 0.000 2.263 11 L HA -0.197 4.144 4.340 0.001 0.000 0.216 11 L C 2.402 179.302 176.870 0.050 0.000 1.111 11 L CA 1.148 55.980 54.840 -0.014 0.000 0.773 11 L CB -0.227 41.749 42.059 -0.139 0.000 0.906 11 L HN 0.349 nan 8.230 nan 0.000 0.439 12 A N -0.565 122.327 122.820 0.121 0.000 1.898 12 A HA -0.216 4.105 4.320 0.001 0.000 0.214 12 A C 2.075 179.778 177.584 0.198 0.000 1.183 12 A CA 1.315 53.489 52.037 0.229 0.000 0.622 12 A CB -0.444 18.740 19.000 0.307 0.000 0.824 12 A HN 0.444 nan 8.150 nan 0.000 0.444 13 E N 0.403 120.675 120.200 0.119 0.000 2.130 13 E HA -0.192 4.159 4.350 0.001 0.000 0.196 13 E C 1.612 178.255 176.600 0.071 0.000 0.998 13 E CA 1.709 58.155 56.400 0.076 0.000 0.806 13 E CB -0.167 29.562 29.700 0.049 0.000 0.738 13 E HN 0.462 nan 8.360 nan 0.000 0.459 14 K N 0.476 120.917 120.400 0.068 0.000 1.993 14 K HA -0.026 4.295 4.320 0.001 0.000 0.222 14 K C 0.193 176.839 176.600 0.076 0.000 1.021 14 K CA 1.642 57.962 56.287 0.054 0.000 1.023 14 K CB -0.477 32.045 32.500 0.036 0.000 0.799 14 K HN 0.054 nan 8.250 nan 0.000 0.444 15 D N -0.452 119.998 120.400 0.083 0.000 2.460 15 D HA 0.128 4.768 4.640 0.001 0.000 0.232 15 D C 0.262 176.658 176.300 0.159 0.000 1.079 15 D CA -0.382 53.681 54.000 0.105 0.000 0.864 15 D CB 0.197 41.035 40.800 0.065 0.000 1.048 15 D HN 0.040 nan 8.370 nan 0.000 0.523 16 F N 3.586 123.560 119.950 0.040 0.000 2.011 16 F HA -0.208 4.319 4.527 0.001 0.000 0.296 16 F C 1.918 177.783 175.800 0.109 0.000 1.144 16 F CA 1.665 59.700 58.000 0.060 0.000 1.185 16 F CB -0.052 38.960 39.000 0.020 0.000 0.961 16 F HN 0.404 nan 8.300 nan 0.000 0.485 17 E N 0.540 120.761 120.200 0.035 0.000 2.095 17 E HA -0.347 4.004 4.350 0.001 0.000 0.212 17 E C 2.277 178.891 176.600 0.023 0.000 1.044 17 E CA 1.840 58.236 56.400 -0.007 0.000 0.857 17 E CB -1.243 28.507 29.700 0.084 0.000 0.764 17 E HN 0.505 nan 8.360 nan 0.000 0.462 18 A N 0.932 123.769 122.820 0.028 0.000 2.070 18 A HA -0.041 4.280 4.320 0.001 0.000 0.220 18 A C 2.333 179.911 177.584 -0.011 0.000 1.159 18 A CA 1.952 53.997 52.037 0.013 0.000 0.656 18 A CB -0.381 18.626 19.000 0.012 0.000 0.800 18 A HN 0.297 nan 8.150 nan 0.000 0.453 19 A N -1.340 121.469 122.820 -0.019 0.000 1.872 19 A HA -0.041 4.280 4.320 0.001 0.000 0.214 19 A C 1.925 179.529 177.584 0.033 0.000 1.187 19 A CA 1.377 53.411 52.037 -0.005 0.000 0.614 19 A CB -0.879 18.142 19.000 0.036 0.000 0.826 19 A HN 0.788 nan 8.150 nan 0.000 0.442 20 W N 1.122 122.219 121.300 -0.338 0.000 2.332 20 W HA -0.199 4.462 4.660 0.001 0.000 0.321 20 W C 2.004 178.421 176.519 -0.170 0.000 1.219 20 W CA 2.251 59.388 57.345 -0.347 0.000 1.277 20 W CB -0.332 28.783 29.460 -0.574 0.000 1.161 20 W HN 0.248 nan 8.180 nan 0.000 0.476 21 K N -0.229 120.094 120.400 -0.128 0.000 2.286 21 K HA -0.161 4.159 4.320 0.001 0.000 0.203 21 K C 2.129 178.614 176.600 -0.192 0.000 1.045 21 K CA 1.278 57.414 56.287 -0.251 0.000 0.935 21 K CB -0.498 31.951 32.500 -0.086 0.000 0.737 21 K HN 0.230 nan 8.250 nan 0.000 0.460 22 A N 0.913 123.681 122.820 -0.087 0.000 1.968 22 A HA -0.038 4.282 4.320 0.001 0.000 0.217 22 A C 2.368 179.961 177.584 0.015 0.000 1.169 22 A CA 1.525 53.554 52.037 -0.013 0.000 0.638 22 A CB -0.994 18.016 19.000 0.017 0.000 0.812 22 A HN 0.404 nan 8.150 nan 0.000 0.446 23 G N 0.470 109.238 108.800 -0.054 0.000 2.597 23 G HA2 -0.352 3.609 3.960 0.001 0.000 0.222 23 G HA3 -0.352 3.609 3.960 0.001 0.000 0.222 23 G C 1.492 176.263 174.900 -0.214 0.000 1.135 23 G CA 1.262 46.224 45.100 -0.228 0.000 0.759 23 G HN 0.601 nan 8.290 nan 0.000 0.595 24 K N 0.397 120.668 120.400 -0.216 0.000 2.520 24 K HA -0.149 4.172 4.320 0.001 0.000 0.198 24 K C 2.118 178.662 176.600 -0.095 0.000 1.045 24 K CA 1.036 57.223 56.287 -0.167 0.000 0.934 24 K CB -0.059 32.341 32.500 -0.167 0.000 0.766 24 K HN 0.596 nan 8.250 nan 0.000 0.483 25 E N 1.431 121.597 120.200 -0.057 0.000 2.285 25 E HA -0.117 4.234 4.350 0.001 0.000 0.194 25 E C 1.822 178.422 176.600 0.000 0.000 0.997 25 E CA 0.429 56.824 56.400 -0.007 0.000 0.845 25 E CB 0.070 29.797 29.700 0.045 0.000 0.782 25 E HN 0.487 nan 8.360 nan 0.000 0.491 26 I N -1.247 119.300 120.570 -0.039 0.000 2.876 26 I HA 0.086 4.256 4.170 0.001 0.000 0.264 26 I C 0.661 176.773 176.117 -0.007 0.000 1.204 26 I CA -0.112 61.184 61.300 -0.007 0.000 1.485 26 I CB -0.169 37.799 38.000 -0.053 0.000 1.103 26 I HN -0.128 nan 8.210 nan 0.000 0.446 27 L N 2.762 123.960 121.223 -0.041 0.000 2.485 27 L HA 0.268 4.608 4.340 0.001 0.000 0.275 27 L C 0.911 177.772 176.870 -0.016 0.000 1.207 27 L CA -0.270 54.550 54.840 -0.034 0.000 0.855 27 L CB 0.195 42.221 42.059 -0.055 0.000 1.114 27 L HN 0.242 nan 8.230 nan 0.000 0.485 28 A N 2.512 125.327 122.820 -0.009 0.000 2.386 28 A HA 0.264 4.584 4.320 0.001 0.000 0.248 28 A C -0.044 177.534 177.584 -0.011 0.000 1.082 28 A CA -0.264 51.770 52.037 -0.005 0.000 0.789 28 A CB 0.510 19.509 19.000 -0.003 0.000 1.025 28 A HN 0.703 nan 8.150 nan 0.000 0.490 29 E N 1.252 121.446 120.200 -0.010 0.000 2.081 29 E HA 0.322 4.673 4.350 0.001 0.000 0.276 29 E C -0.534 176.056 176.600 -0.016 0.000 0.950 29 E CA -0.377 56.015 56.400 -0.013 0.000 0.776 29 E CB 0.280 29.973 29.700 -0.011 0.000 1.094 29 E HN 0.452 nan 8.360 nan 0.000 0.402 30 R N 2.386 122.876 120.500 -0.017 0.000 2.349 30 R HA 0.318 4.658 4.340 0.001 0.000 0.299 30 R C 0.223 176.500 176.300 -0.038 0.000 1.027 30 R CA -0.441 55.645 56.100 -0.024 0.000 0.958 30 R CB 1.066 31.355 30.300 -0.018 0.000 1.047 30 R HN 0.735 nan 8.270 nan 0.000 0.468 31 S N 2.401 118.065 115.700 -0.060 0.000 2.661 31 S HA 0.269 4.740 4.470 0.001 0.000 0.265 31 S C -1.617 172.905 174.600 -0.130 0.000 1.225 31 S CA -1.027 57.109 58.200 -0.107 0.000 0.986 31 S CB 1.018 64.146 63.200 -0.119 0.000 1.008 31 S HN 0.224 nan 8.310 nan 0.000 0.565 32 P HA -0.084 nan 4.420 nan 0.000 0.212 32 P C 0.791 178.018 177.300 -0.121 0.000 1.178 32 P CA 1.249 64.214 63.100 -0.226 0.000 0.915 32 P CB -0.139 31.250 31.700 -0.518 0.000 0.788 33 N N -0.559 118.069 118.700 -0.119 0.000 2.567 33 N HA -0.072 4.668 4.740 0.001 0.000 0.195 33 N C 0.748 176.222 175.510 -0.060 0.000 1.242 33 N CA 0.671 53.679 53.050 -0.070 0.000 0.884 33 N CB -0.402 38.062 38.487 -0.039 0.000 1.007 33 N HN 0.427 nan 8.380 nan 0.000 0.450 34 E N -0.425 119.740 120.200 -0.059 0.000 2.498 34 E HA 0.194 4.544 4.350 0.001 0.000 0.203 34 E C 0.025 176.607 176.600 -0.030 0.000 1.013 34 E CA -0.098 56.276 56.400 -0.045 0.000 0.927 34 E CB 0.875 30.550 29.700 -0.042 0.000 1.012 34 E HN 0.217 nan 8.360 nan 0.000 0.482 35 L N 0.899 122.106 121.223 -0.027 0.000 2.375 35 L HA 0.316 4.656 4.340 0.001 0.000 0.268 35 L C -0.091 176.790 176.870 0.019 0.000 1.058 35 L CA -1.094 53.750 54.840 0.007 0.000 0.803 35 L CB 0.576 42.641 42.059 0.010 0.000 1.212 35 L HN 0.063 nan 8.230 nan 0.000 0.451 36 Y N 3.653 123.920 120.300 -0.056 0.000 2.411 36 Y HA 0.152 4.703 4.550 0.001 0.000 0.333 36 Y C -1.577 174.296 175.900 -0.045 0.000 1.186 36 Y CA -1.558 56.506 58.100 -0.061 0.000 1.381 36 Y CB 0.721 39.147 38.460 -0.056 0.000 1.273 36 Y HN 0.280 nan 8.280 nan 0.000 0.546 37 P HA 0.246 nan 4.420 nan 0.000 0.257 37 P C 0.043 177.064 177.300 -0.465 0.000 1.737 37 P CA 0.118 62.498 63.100 -1.201 0.000 1.130 37 P CB 0.217 31.051 31.700 -1.444 0.000 1.572 38 R N 0.457 120.800 120.500 -0.261 0.000 2.313 38 R HA 0.138 4.479 4.340 0.001 0.000 0.199 38 R C 0.699 176.923 176.300 -0.127 0.000 0.958 38 R CA 0.325 56.322 56.100 -0.170 0.000 1.047 38 R CB 0.091 30.318 30.300 -0.122 0.000 0.955 38 R HN 0.186 nan 8.270 nan 0.000 0.481 39 V N -3.777 116.068 119.914 -0.114 0.000 2.888 39 V HA 0.961 5.082 4.120 0.001 0.000 0.309 39 V C -0.473 175.576 176.094 -0.074 0.000 1.114 39 V CA -0.693 61.555 62.300 -0.088 0.000 0.940 39 V CB 1.931 33.710 31.823 -0.074 0.000 1.021 39 V HN 0.092 nan 8.190 nan 0.000 0.426 40 G N 2.100 110.815 108.800 -0.143 0.000 2.387 40 G HA2 0.566 4.526 3.960 0.001 0.000 0.294 40 G HA3 0.566 4.526 3.960 0.001 0.000 0.294 40 G C -1.581 173.219 174.900 -0.167 0.000 1.509 40 G CA -0.750 44.242 45.100 -0.181 0.000 0.806 40 G HN 0.726 nan 8.290 nan 0.000 0.546 41 F N 0.638 120.647 119.950 0.098 0.000 2.368 41 F HA 0.772 5.300 4.527 0.001 0.000 0.308 41 F C 1.177 177.063 175.800 0.143 0.000 1.198 41 F CA -0.250 57.809 58.000 0.098 0.000 1.130 41 F CB 1.436 40.492 39.000 0.093 0.000 1.300 41 F HN 0.433 nan 8.300 nan 0.000 0.537 42 S N -0.466 115.462 115.700 0.379 0.000 2.732 42 S HA 0.866 5.336 4.470 0.001 0.000 0.293 42 S C -1.501 173.319 174.600 0.367 0.000 1.159 42 S CA -0.699 57.648 58.200 0.245 0.000 0.847 42 S CB 2.473 65.703 63.200 0.050 0.000 1.169 42 S HN 0.467 nan 8.310 nan 0.000 0.501 43 F N -1.811 118.160 119.950 0.035 0.000 2.680 43 F HA 0.672 5.200 4.527 0.001 0.000 0.315 43 F C -0.126 175.679 175.800 0.008 0.000 1.099 43 F CA -1.173 56.837 58.000 0.017 0.000 1.033 43 F CB 0.058 39.069 39.000 0.017 0.000 1.285 43 F HN 0.750 nan 8.300 nan 0.000 0.457 44 G N 2.111 110.947 108.800 0.060 0.000 2.630 44 G HA2 0.448 4.408 3.960 0.001 0.000 0.236 44 G HA3 0.448 4.408 3.960 0.001 0.000 0.236 44 G C -1.076 173.849 174.900 0.041 0.000 1.248 44 G CA -0.700 44.398 45.100 -0.004 0.000 0.844 44 G HN 0.750 nan 8.290 nan 0.000 0.588 45 K N 0.671 121.065 120.400 -0.009 0.000 2.427 45 K HA 0.288 4.609 4.320 0.001 0.000 0.252 45 K C -0.271 176.353 176.600 0.039 0.000 0.931 45 K CA -0.654 55.653 56.287 0.034 0.000 0.793 45 K CB 2.566 35.047 32.500 -0.032 0.000 1.211 45 K HN 0.811 nan 8.250 nan 0.000 0.426 46 E N 0.862 121.097 120.200 0.058 0.000 2.280 46 E HA 0.174 4.525 4.350 0.001 0.000 0.264 46 E C -0.801 175.826 176.600 0.045 0.000 1.064 46 E CA -0.765 55.676 56.400 0.068 0.000 0.900 46 E CB 0.976 30.719 29.700 0.072 0.000 1.123 46 E HN 0.516 nan 8.360 nan 0.000 0.418 47 H N 1.271 120.339 119.070 -0.004 0.000 2.580 47 H HA 0.119 4.676 4.556 0.001 0.000 0.322 47 H C -1.531 173.639 175.328 -0.263 0.000 1.082 47 H CA -1.986 53.997 56.048 -0.107 0.000 1.383 47 H CB 1.338 31.066 29.762 -0.056 0.000 1.450 47 H HN 0.384 nan 8.280 nan 0.000 0.505 48 P HA -0.229 nan 4.420 nan 0.000 0.218 48 P C 1.546 178.621 177.300 -0.374 0.000 1.146 48 P CA 1.033 63.667 63.100 -0.775 0.000 0.813 48 P CB 0.583 31.751 31.700 -0.886 0.000 0.778 49 L N -1.238 119.932 121.223 -0.087 0.000 1.961 49 L HA -0.140 4.201 4.340 0.001 0.000 0.209 49 L C 2.809 179.473 176.870 -0.343 0.000 1.075 49 L CA 1.765 56.418 54.840 -0.312 0.000 0.749 49 L CB -0.845 40.818 42.059 -0.661 0.000 0.890 49 L HN -0.138 nan 8.230 nan 0.000 0.433 50 F N 0.052 119.878 119.950 -0.207 0.000 2.091 50 F HA -0.330 4.197 4.527 0.001 0.000 0.299 50 F C 2.693 178.433 175.800 -0.100 0.000 1.103 50 F CA 0.979 58.852 58.000 -0.212 0.000 1.228 50 F CB -0.668 38.229 39.000 -0.172 0.000 0.984 50 F HN 0.258 nan 8.300 nan 0.000 0.477 51 A N 0.091 122.978 122.820 0.112 0.000 1.884 51 A HA -0.263 4.057 4.320 0.001 0.000 0.219 51 A C 2.152 179.835 177.584 0.165 0.000 1.197 51 A CA 2.626 54.727 52.037 0.106 0.000 0.637 51 A CB -1.430 17.585 19.000 0.025 0.000 0.827 51 A HN 0.381 nan 8.150 nan 0.000 0.450 52 T N 0.273 114.915 114.554 0.148 0.000 2.746 52 T HA -0.110 4.241 4.350 0.001 0.000 0.267 52 T C 1.791 176.593 174.700 0.170 0.000 1.039 52 T CA 1.477 63.710 62.100 0.221 0.000 1.142 52 T CB -0.471 68.487 68.868 0.150 0.000 0.866 52 T HN 0.441 nan 8.240 nan 0.000 0.444 53 I N 1.022 121.634 120.570 0.070 0.000 2.091 53 I HA -0.275 3.896 4.170 0.001 0.000 0.239 53 I C 2.852 179.073 176.117 0.174 0.000 1.061 53 I CA 1.582 62.930 61.300 0.081 0.000 1.317 53 I CB -0.470 37.526 38.000 -0.007 0.000 1.031 53 I HN 0.213 nan 8.210 nan 0.000 0.401 54 Q N 1.337 121.231 119.800 0.157 0.000 2.077 54 Q HA -0.251 4.090 4.340 0.001 0.000 0.206 54 Q C 2.197 178.310 176.000 0.188 0.000 0.989 54 Q CA 1.899 57.797 55.803 0.159 0.000 0.853 54 Q CB -0.219 28.590 28.738 0.118 0.000 0.907 54 Q HN 0.269 nan 8.270 nan 0.000 0.418 55 R N -0.849 119.785 120.500 0.223 0.000 2.103 55 R HA -0.131 4.210 4.340 0.001 0.000 0.242 55 R C 2.096 178.621 176.300 0.375 0.000 1.142 55 R CA 1.354 57.598 56.100 0.239 0.000 0.960 55 R CB -0.385 30.125 30.300 0.350 0.000 0.858 55 R HN 0.266 nan 8.270 nan 0.000 0.439 56 L N 0.900 122.403 121.223 0.467 0.000 2.046 56 L HA -0.159 4.182 4.340 0.001 0.000 0.208 56 L C 2.208 179.280 176.870 0.336 0.000 1.077 56 L CA 1.737 56.832 54.840 0.426 0.000 0.747 56 L CB -0.917 41.327 42.059 0.308 0.000 0.896 56 L HN 0.207 nan 8.230 nan 0.000 0.432 57 R N -0.222 120.483 120.500 0.342 0.000 2.097 57 R HA -0.202 4.139 4.340 0.001 0.000 0.236 57 R C 2.039 178.409 176.300 0.115 0.000 1.135 57 R CA 1.619 57.932 56.100 0.355 0.000 0.934 57 R CB -0.449 30.064 30.300 0.354 0.000 0.846 57 R HN 0.469 nan 8.270 nan 0.000 0.431 58 E N 0.652 120.911 120.200 0.098 0.000 2.085 58 E HA -0.217 4.133 4.350 0.001 0.000 0.194 58 E C 2.157 178.726 176.600 -0.052 0.000 0.994 58 E CA 1.144 57.555 56.400 0.018 0.000 0.801 58 E CB -0.193 29.511 29.700 0.006 0.000 0.743 58 E HN 0.400 nan 8.360 nan 0.000 0.453 59 A N 1.001 123.788 122.820 -0.055 0.000 1.859 59 A HA -0.241 4.079 4.320 0.001 0.000 0.217 59 A C 1.976 179.422 177.584 -0.229 0.000 1.198 59 A CA 1.689 53.644 52.037 -0.137 0.000 0.629 59 A CB -1.052 17.936 19.000 -0.020 0.000 0.830 59 A HN 0.268 nan 8.150 nan 0.000 0.446 60 Y N -0.172 119.938 120.300 -0.317 0.000 2.165 60 Y HA -0.160 4.390 4.550 0.001 0.000 0.286 60 Y C 2.287 177.919 175.900 -0.448 0.000 1.155 60 Y CA 1.680 59.423 58.100 -0.595 0.000 1.164 60 Y CB -0.542 37.166 38.460 -1.253 0.000 0.978 60 Y HN 0.207 nan 8.280 nan 0.000 0.513 61 L N -1.339 119.729 121.223 -0.257 0.000 2.046 61 L HA -0.239 4.101 4.340 0.001 0.000 0.208 61 L C 2.310 179.179 176.870 -0.003 0.000 1.077 61 L CA 1.427 56.228 54.840 -0.066 0.000 0.747 61 L CB -0.675 41.385 42.059 0.002 0.000 0.896 61 L HN 0.016 nan 8.230 nan 0.000 0.432 62 S N 0.122 115.799 115.700 -0.038 0.000 2.493 62 S HA -0.071 4.399 4.470 0.001 0.000 0.243 62 S C 1.357 175.957 174.600 -0.001 0.000 0.991 62 S CA 1.096 59.279 58.200 -0.029 0.000 0.957 62 S CB -0.347 62.814 63.200 -0.065 0.000 0.756 62 S HN 0.557 nan 8.310 nan 0.000 0.521 63 I N -4.099 116.498 120.570 0.044 0.000 3.491 63 I HA 0.578 4.748 4.170 0.001 0.000 0.332 63 I C 0.901 177.178 176.117 0.266 0.000 1.565 63 I CA -0.028 61.345 61.300 0.122 0.000 1.050 63 I CB 0.127 38.180 38.000 0.088 0.000 1.348 63 I HN 0.174 nan 8.210 nan 0.000 0.506 64 G N 1.402 110.303 108.800 0.169 0.000 2.241 64 G HA2 -0.275 3.685 3.960 0.001 0.000 0.244 64 G HA3 -0.275 3.685 3.960 0.001 0.000 0.244 64 G C -0.081 174.849 174.900 0.050 0.000 0.998 64 G CA -0.194 44.949 45.100 0.072 0.000 0.621 64 G HN 0.329 nan 8.290 nan 0.000 0.519 65 F N 3.040 122.998 119.950 0.014 0.000 2.504 65 F HA 0.567 5.095 4.527 0.001 0.000 0.369 65 F C 1.101 177.029 175.800 0.214 0.000 1.082 65 F CA -0.110 57.943 58.000 0.088 0.000 1.216 65 F CB 1.243 40.292 39.000 0.081 0.000 1.108 65 F HN 0.035 nan 8.300 nan 0.000 0.554 66 S N 2.092 118.029 115.700 0.395 0.000 2.585 66 S HA 0.232 4.702 4.470 0.001 0.000 0.277 66 S C -0.129 174.753 174.600 0.471 0.000 1.241 66 S CA -0.979 57.453 58.200 0.387 0.000 1.041 66 S CB 1.134 64.439 63.200 0.175 0.000 0.987 66 S HN 0.592 nan 8.310 nan 0.000 0.512 67 E N 0.842 121.224 120.200 0.303 0.000 2.366 67 E HA 0.481 4.831 4.350 0.001 0.000 0.266 67 E C -1.185 175.309 176.600 -0.175 0.000 1.051 67 E CA -0.290 55.953 56.400 -0.262 0.000 0.884 67 E CB 0.685 30.264 29.700 -0.203 0.000 1.006 67 E HN 0.335 nan 8.360 nan 0.000 0.417 68 V N 2.812 122.550 119.914 -0.294 0.000 3.048 68 V HA 0.206 4.326 4.120 0.001 0.000 0.303 68 V C -0.875 175.063 176.094 -0.260 0.000 1.214 68 V CA -0.950 61.241 62.300 -0.182 0.000 0.984 68 V CB 2.209 33.990 31.823 -0.070 0.000 1.054 68 V HN 0.413 nan 8.190 nan 0.000 0.430 69 V N 3.712 123.501 119.914 -0.208 0.000 2.350 69 V HA 0.450 4.570 4.120 0.001 0.000 0.276 69 V C -0.020 175.921 176.094 -0.255 0.000 1.028 69 V CA -0.575 61.593 62.300 -0.219 0.000 0.860 69 V CB 1.366 33.099 31.823 -0.151 0.000 0.990 69 V HN 0.844 nan 8.190 nan 0.000 0.453 70 N N 5.124 123.617 118.700 -0.346 0.000 2.492 70 N HA 0.467 5.207 4.740 0.001 0.000 0.289 70 N C -2.543 172.810 175.510 -0.261 0.000 1.133 70 N CA -1.527 51.296 53.050 -0.379 0.000 0.961 70 N CB 1.485 39.582 38.487 -0.649 0.000 1.186 70 N HN 0.341 nan 8.380 nan 0.000 0.493 71 P HA 0.043 nan 4.420 nan 0.000 0.264 71 P C 0.584 177.800 177.300 -0.140 0.000 1.193 71 P CA 0.121 63.130 63.100 -0.152 0.000 0.763 71 P CB 0.847 32.463 31.700 -0.140 0.000 0.810 72 L N 3.692 124.855 121.223 -0.101 0.000 2.262 72 L HA 0.272 4.612 4.340 0.001 0.000 0.197 72 L C 0.709 177.544 176.870 -0.058 0.000 1.073 72 L CA 0.412 55.211 54.840 -0.069 0.000 0.800 72 L CB 0.202 42.236 42.059 -0.042 0.000 0.987 72 L HN 0.241 nan 8.230 nan 0.000 0.470 73 I N 1.630 122.160 120.570 -0.067 0.000 2.352 73 I HA 0.225 4.395 4.170 0.001 0.000 0.290 73 I C -0.575 175.521 176.117 -0.035 0.000 1.036 73 I CA -0.424 60.834 61.300 -0.070 0.000 1.336 73 I CB 1.131 39.087 38.000 -0.073 0.000 1.407 73 I HN -0.053 nan 8.210 nan 0.000 0.497 74 V N 2.800 122.702 119.914 -0.020 0.000 3.159 74 V HA 0.542 4.663 4.120 0.001 0.000 0.308 74 V C -0.676 175.460 176.094 0.069 0.000 1.190 74 V CA -1.029 61.307 62.300 0.061 0.000 1.037 74 V CB 2.063 33.932 31.823 0.076 0.000 1.060 74 V HN 0.467 nan 8.190 nan 0.000 0.437 75 E N 2.140 122.436 120.200 0.159 0.000 2.289 75 E HA 0.165 4.515 4.350 0.001 0.000 0.278 75 E C 0.304 176.928 176.600 0.041 0.000 1.032 75 E CA 0.245 56.679 56.400 0.057 0.000 0.854 75 E CB 1.499 31.202 29.700 0.005 0.000 1.046 75 E HN 0.961 nan 8.360 nan 0.000 0.409 76 D N 2.216 122.606 120.400 -0.018 0.000 2.315 76 D HA -0.186 4.455 4.640 0.001 0.000 0.211 76 D C 1.496 177.804 176.300 0.013 0.000 0.977 76 D CA 0.587 54.575 54.000 -0.020 0.000 0.894 76 D CB -0.347 40.453 40.800 0.000 0.000 0.910 76 D HN 0.258 nan 8.370 nan 0.000 0.490 77 V N 0.317 120.210 119.914 -0.035 0.000 2.568 77 V HA -0.288 3.832 4.120 0.001 0.000 0.253 77 V C 2.072 178.112 176.094 -0.090 0.000 1.072 77 V CA 1.763 64.008 62.300 -0.091 0.000 1.084 77 V CB -0.540 31.179 31.823 -0.173 0.000 0.676 77 V HN 0.282 nan 8.190 nan 0.000 0.469 78 H N -0.243 118.853 119.070 0.044 0.000 2.326 78 H HA -0.045 4.511 4.556 0.001 0.000 0.301 78 H C 2.427 177.817 175.328 0.103 0.000 1.081 78 H CA 2.027 58.139 56.048 0.106 0.000 1.334 78 H CB -0.410 29.444 29.762 0.152 0.000 1.385 78 H HN 0.447 nan 8.280 nan 0.000 0.504 79 V N 1.439 121.483 119.914 0.217 0.000 2.332 79 V HA -0.256 3.865 4.120 0.001 0.000 0.248 79 V C 2.352 178.582 176.094 0.227 0.000 1.055 79 V CA 1.750 64.182 62.300 0.220 0.000 1.038 79 V CB -0.360 31.506 31.823 0.071 0.000 0.651 79 V HN 0.358 nan 8.190 nan 0.000 0.450 80 K N 0.168 120.634 120.400 0.109 0.000 2.026 80 K HA -0.194 4.127 4.320 0.001 0.000 0.208 80 K C 2.238 178.867 176.600 0.050 0.000 1.048 80 K CA 1.532 57.863 56.287 0.074 0.000 0.929 80 K CB -0.272 32.240 32.500 0.020 0.000 0.713 80 K HN 0.390 nan 8.250 nan 0.000 0.439 81 K N 0.873 121.274 120.400 0.000 0.000 2.152 81 K HA -0.201 4.120 4.320 0.001 0.000 0.206 81 K C 2.208 178.749 176.600 -0.100 0.000 1.048 81 K CA 1.503 57.740 56.287 -0.084 0.000 0.933 81 K CB 0.019 32.410 32.500 -0.182 0.000 0.721 81 K HN 0.236 nan 8.250 nan 0.000 0.447 82 Q N -0.788 118.970 119.800 -0.069 0.000 2.134 82 Q HA 0.020 4.360 4.340 0.001 0.000 0.195 82 Q C 0.824 176.664 176.000 -0.266 0.000 0.958 82 Q CA 0.819 56.442 55.803 -0.299 0.000 0.840 82 Q CB 0.231 28.700 28.738 -0.448 0.000 0.918 82 Q HN 0.220 nan 8.270 nan 0.000 0.467 83 F N 0.626 120.543 119.950 -0.056 0.000 2.701 83 F HA 0.243 4.771 4.527 0.001 0.000 0.295 83 F C 1.551 177.360 175.800 0.016 0.000 1.165 83 F CA 0.248 58.256 58.000 0.014 0.000 1.399 83 F CB -0.351 38.661 39.000 0.020 0.000 0.996 83 F HN 0.142 nan 8.300 nan 0.000 0.513 84 G N 1.306 110.167 108.800 0.102 0.000 2.699 84 G HA2 -0.474 3.487 3.960 0.001 0.000 0.351 84 G HA3 -0.474 3.487 3.960 0.001 0.000 0.351 84 G C 1.573 176.523 174.900 0.083 0.000 1.191 84 G CA 1.346 46.487 45.100 0.068 0.000 0.953 84 G HN 0.328 nan 8.290 nan 0.000 0.557 85 R N 0.360 120.911 120.500 0.085 0.000 2.146 85 R HA 0.294 4.634 4.340 0.001 0.000 0.206 85 R C 2.350 178.699 176.300 0.082 0.000 1.049 85 R CA 1.229 57.370 56.100 0.068 0.000 1.029 85 R CB -0.516 29.815 30.300 0.051 0.000 0.949 85 R HN 0.701 nan 8.270 nan 0.000 0.471 86 E N 0.722 120.996 120.200 0.123 0.000 2.510 86 E HA -0.097 4.253 4.350 0.001 0.000 0.202 86 E C 1.213 177.860 176.600 0.077 0.000 1.072 86 E CA 0.585 57.058 56.400 0.122 0.000 0.883 86 E CB 0.045 29.860 29.700 0.192 0.000 0.818 86 E HN 0.360 nan 8.360 nan 0.000 0.548 87 A N 0.626 123.501 122.820 0.092 0.000 1.972 87 A HA -0.160 4.160 4.320 0.001 0.000 0.219 87 A C 2.042 179.579 177.584 -0.078 0.000 1.169 87 A CA 0.831 52.860 52.037 -0.012 0.000 0.635 87 A CB -0.427 18.619 19.000 0.077 0.000 0.810 87 A HN 0.352 nan 8.150 nan 0.000 0.446 88 L N -0.833 120.374 121.223 -0.027 0.000 2.042 88 L HA -0.258 4.083 4.340 0.001 0.000 0.210 88 L C 3.115 179.953 176.870 -0.054 0.000 1.076 88 L CA 1.219 56.041 54.840 -0.029 0.000 0.749 88 L CB -0.738 41.314 42.059 -0.012 0.000 0.893 88 L HN 0.455 nan 8.230 nan 0.000 0.432 89 A N -0.008 122.776 122.820 -0.060 0.000 1.858 89 A HA -0.165 4.155 4.320 0.001 0.000 0.216 89 A C 2.351 179.859 177.584 -0.126 0.000 1.190 89 A CA 1.946 53.942 52.037 -0.069 0.000 0.617 89 A CB -0.977 17.998 19.000 -0.041 0.000 0.827 89 A HN 0.168 nan 8.150 nan 0.000 0.443 90 V N 0.422 120.193 119.914 -0.239 0.000 2.278 90 V HA -0.312 3.808 4.120 0.001 0.000 0.251 90 V C 2.449 178.397 176.094 -0.244 0.000 1.062 90 V CA 2.115 64.188 62.300 -0.377 0.000 1.038 90 V CB -0.924 30.370 31.823 -0.882 0.000 0.646 90 V HN 0.585 nan 8.190 nan 0.000 0.447 91 L N 0.308 121.430 121.223 -0.169 0.000 2.551 91 L HA -0.182 4.159 4.340 0.001 0.000 0.230 91 L C 2.244 179.118 176.870 0.007 0.000 1.163 91 L CA 1.336 56.148 54.840 -0.047 0.000 0.826 91 L CB -0.607 41.482 42.059 0.050 0.000 0.943 91 L HN 0.498 nan 8.230 nan 0.000 0.452 92 D N 1.078 121.449 120.400 -0.049 0.000 2.183 92 D HA -0.141 4.499 4.640 0.001 0.000 0.205 92 D C 2.127 178.379 176.300 -0.079 0.000 0.962 92 D CA 0.701 54.669 54.000 -0.052 0.000 0.849 92 D CB 0.284 41.049 40.800 -0.058 0.000 0.978 92 D HN 0.427 nan 8.370 nan 0.000 0.488 93 R N -0.112 120.340 120.500 -0.080 0.000 2.299 93 R HA 0.104 4.445 4.340 0.001 0.000 0.197 93 R C 0.550 176.829 176.300 -0.036 0.000 0.971 93 R CA 0.075 56.134 56.100 -0.067 0.000 1.030 93 R CB -0.453 29.819 30.300 -0.047 0.000 0.932 93 R HN 0.013 nan 8.270 nan 0.000 0.477 94 C N 0.668 119.947 119.300 -0.035 0.000 2.335 94 C HA 0.573 5.034 4.460 0.001 0.000 0.363 94 C C -0.114 174.907 174.990 0.051 0.000 1.198 94 C CA -0.938 58.104 59.018 0.041 0.000 2.279 94 C CB 0.494 28.197 27.740 -0.062 0.000 2.334 94 C HN 0.223 nan 8.230 nan 0.000 0.559 95 F N -0.182 119.726 119.950 -0.070 0.000 2.457 95 F HA 0.601 5.129 4.527 0.001 0.000 0.330 95 F C 0.001 175.745 175.800 -0.094 0.000 1.069 95 F CA -0.276 57.706 58.000 -0.031 0.000 1.009 95 F CB 0.610 39.554 39.000 -0.093 0.000 1.276 95 F HN 0.450 nan 8.300 nan 0.000 0.492 96 Y N 0.276 120.647 120.300 0.118 0.000 2.570 96 Y HA 0.601 5.151 4.550 0.001 0.000 0.345 96 Y C -1.070 174.840 175.900 0.016 0.000 1.014 96 Y CA -1.121 56.999 58.100 0.033 0.000 1.063 96 Y CB 1.459 39.918 38.460 -0.002 0.000 1.272 96 Y HN 0.143 nan 8.280 nan 0.000 0.477 97 L N 2.210 123.516 121.223 0.137 0.000 2.282 97 L HA 0.758 5.098 4.340 0.001 0.000 0.288 97 L C -0.289 176.618 176.870 0.062 0.000 1.033 97 L CA -0.600 54.271 54.840 0.052 0.000 0.807 97 L CB 0.967 43.018 42.059 -0.013 0.000 1.209 97 L HN 0.705 nan 8.230 nan 0.000 0.423 98 A N 2.066 124.909 122.820 0.038 0.000 2.355 98 A HA 0.794 5.115 4.320 0.001 0.000 0.317 98 A C -0.196 177.393 177.584 0.009 0.000 1.094 98 A CA -0.417 51.635 52.037 0.024 0.000 0.764 98 A CB 1.562 20.574 19.000 0.021 0.000 1.230 98 A HN 0.593 nan 8.150 nan 0.000 0.448 99 T N 1.312 115.869 114.554 0.004 0.000 2.938 99 T HA 0.682 5.033 4.350 0.001 0.000 0.285 99 T C -0.789 173.910 174.700 -0.002 0.000 1.028 99 T CA -0.598 61.501 62.100 -0.001 0.000 1.005 99 T CB 0.525 69.392 68.868 -0.002 0.000 1.157 99 T HN 0.495 nan 8.240 nan 0.000 0.550 100 L N 3.737 124.959 121.223 -0.003 0.000 2.287 100 L HA 0.454 4.794 4.340 0.001 0.000 0.287 100 L C -1.804 175.064 176.870 -0.004 0.000 1.022 100 L CA -2.038 52.801 54.840 -0.003 0.000 0.814 100 L CB 1.624 43.681 42.059 -0.002 0.000 1.217 100 L HN 0.617 nan 8.230 nan 0.000 0.420 101 P HA 0.073 nan 4.420 nan 0.000 0.271 101 P C -1.001 176.296 177.300 -0.004 0.000 1.216 101 P CA -0.510 62.588 63.100 -0.004 0.000 0.776 101 P CB 0.747 32.444 31.700 -0.005 0.000 0.881 102 K N 3.576 123.974 120.400 -0.004 0.000 2.336 102 K HA 0.172 4.492 4.320 0.001 0.000 0.290 102 K C -2.063 174.535 176.600 -0.003 0.000 1.067 102 K CA -1.365 54.920 56.287 -0.003 0.000 0.962 102 K CB -0.749 31.749 32.500 -0.003 0.000 1.008 102 K HN 0.324 nan 8.250 nan 0.000 0.467 103 P HA -0.011 nan 4.420 nan 0.000 0.258 103 P C -0.466 176.832 177.300 -0.003 0.000 1.563 103 P CA 0.203 63.301 63.100 -0.003 0.000 1.241 103 P CB -0.036 31.662 31.700 -0.003 0.000 1.811 175 K N 1.492 121.890 120.400 -0.004 0.000 2.559 175 K HA 0.500 4.820 4.320 0.001 0.000 0.249 175 K C -2.657 173.939 176.600 -0.006 0.000 0.958 175 K CA -1.334 54.949 56.287 -0.006 0.000 0.901 175 K CB 1.131 33.626 32.500 -0.008 0.000 1.124 175 K HN -0.087 nan 8.250 nan 0.000 0.437 176 P HA 0.150 nan 4.420 nan 0.000 0.268 176 P C -0.589 176.706 177.300 -0.008 0.000 1.205 176 P CA -0.113 62.984 63.100 -0.004 0.000 0.771 176 P CB 0.549 32.250 31.700 0.001 0.000 0.858 177 I N 1.723 122.289 120.570 -0.006 0.000 2.355 177 I HA 0.170 4.340 4.170 0.001 0.000 0.288 177 I C 0.588 176.702 176.117 -0.004 0.000 0.999 177 I CA -0.451 60.843 61.300 -0.010 0.000 1.163 177 I CB 1.314 39.309 38.000 -0.009 0.000 1.316 177 I HN 0.284 nan 8.210 nan 0.000 0.454 178 S N 3.840 119.532 115.700 -0.013 0.000 2.598 178 S HA 0.403 4.874 4.470 0.001 0.000 0.256 178 S C 0.280 174.889 174.600 0.015 0.000 1.350 178 S CA -0.563 57.636 58.200 -0.002 0.000 0.984 178 S CB 0.916 64.083 63.200 -0.055 0.000 0.930 178 S HN 0.828 nan 8.310 nan 0.000 0.577 179 S N -1.154 114.586 115.700 0.065 0.000 2.705 179 S HA 0.413 4.883 4.470 0.001 0.000 0.280 179 S C 0.461 175.173 174.600 0.187 0.000 1.174 179 S CA -0.194 58.055 58.200 0.081 0.000 0.823 179 S CB 0.996 64.233 63.200 0.063 0.000 1.162 179 S HN 0.609 nan 8.310 nan 0.000 0.487 180 T N 0.217 114.860 114.554 0.149 0.000 3.113 180 T HA 0.207 4.557 4.350 0.001 0.000 0.263 180 T C 0.476 175.267 174.700 0.152 0.000 1.143 180 T CA 0.159 62.383 62.100 0.206 0.000 1.090 180 T CB -0.959 67.968 68.868 0.099 0.000 0.922 180 T HN 0.457 nan 8.240 nan 0.000 0.521 181 L N 3.047 124.328 121.223 0.098 0.000 2.410 181 L HA 0.357 4.697 4.340 0.001 0.000 0.273 181 L C 0.735 177.525 176.870 -0.135 0.000 1.152 181 L CA -0.281 54.555 54.840 -0.007 0.000 0.855 181 L CB 0.773 42.832 42.059 0.000 0.000 1.129 181 L HN 0.341 nan 8.230 nan 0.000 0.463 182 T N 1.272 115.687 114.554 -0.232 0.000 2.896 182 T HA 0.603 4.954 4.350 0.001 0.000 0.297 182 T C -0.551 174.035 174.700 -0.189 0.000 1.108 182 T CA -0.942 60.953 62.100 -0.341 0.000 1.004 182 T CB 1.428 69.958 68.868 -0.563 0.000 1.159 182 T HN 0.305 nan 8.240 nan 0.000 0.499 183 L N 2.360 123.479 121.223 -0.174 0.000 2.312 183 L HA 0.529 4.870 4.340 0.001 0.000 0.281 183 L C 1.003 177.868 176.870 -0.008 0.000 1.070 183 L CA -1.254 53.495 54.840 -0.152 0.000 0.805 183 L CB 1.124 42.943 42.059 -0.399 0.000 1.174 183 L HN 0.820 nan 8.230 nan 0.000 0.434 184 R N 0.847 121.371 120.500 0.041 0.000 2.570 184 R HA 0.051 4.391 4.340 0.001 0.000 0.277 184 R C 0.869 177.252 176.300 0.139 0.000 1.039 184 R CA 0.260 56.405 56.100 0.075 0.000 1.065 184 R CB 0.349 30.681 30.300 0.054 0.000 0.964 184 R HN 0.739 nan 8.270 nan 0.000 0.428 185 S N 2.349 118.117 115.700 0.114 0.000 2.371 185 S HA -0.083 4.388 4.470 0.001 0.000 0.221 185 S C 0.663 175.428 174.600 0.275 0.000 1.036 185 S CA 0.551 58.842 58.200 0.152 0.000 0.965 185 S CB -0.720 62.469 63.200 -0.018 0.000 0.845 185 S HN 0.926 nan 8.310 nan 0.000 0.475 186 H N -2.345 116.838 119.070 0.188 0.000 2.864 186 H HA 0.628 5.184 4.556 0.001 0.000 0.354 186 H C 0.911 176.302 175.328 0.104 0.000 1.208 186 H CA -1.162 55.014 56.048 0.214 0.000 1.191 186 H CB 1.016 30.950 29.762 0.287 0.000 1.889 186 H HN 0.005 nan 8.280 nan 0.000 0.574 187 M N 0.823 120.537 119.600 0.189 0.000 2.132 187 M HA -0.096 4.385 4.480 0.001 0.000 0.263 187 M C 1.843 178.124 176.300 -0.033 0.000 1.065 187 M CA 1.881 57.169 55.300 -0.021 0.000 1.122 187 M CB -0.731 31.887 32.600 0.031 0.000 1.365 187 M HN 0.817 nan 8.290 nan 0.000 0.411 188 T N 0.084 114.630 114.554 -0.015 0.000 2.751 188 T HA -0.207 4.144 4.350 0.001 0.000 0.268 188 T C 1.655 176.429 174.700 0.124 0.000 1.045 188 T CA 2.011 64.145 62.100 0.057 0.000 1.142 188 T CB -0.663 67.922 68.868 -0.472 0.000 0.851 188 T HN 0.511 nan 8.240 nan 0.000 0.474 189 T N 0.669 115.340 114.554 0.195 0.000 2.746 189 T HA -0.038 4.313 4.350 0.001 0.000 0.267 189 T C 2.183 176.921 174.700 0.063 0.000 1.039 189 T CA 1.384 63.612 62.100 0.214 0.000 1.142 189 T CB -0.590 68.411 68.868 0.222 0.000 0.866 189 T HN 0.561 nan 8.240 nan 0.000 0.444 190 G N -0.768 107.996 108.800 -0.059 0.000 2.453 190 G HA2 -0.054 3.906 3.960 0.001 0.000 0.215 190 G HA3 -0.054 3.906 3.960 0.001 0.000 0.215 190 G C 1.232 176.035 174.900 -0.162 0.000 1.147 190 G CA -0.100 44.890 45.100 -0.184 0.000 0.802 190 G HN 0.506 nan 8.290 nan 0.000 0.535 191 W N 0.693 121.934 121.300 -0.098 0.000 2.298 191 W HA -0.157 4.503 4.660 0.001 0.000 0.328 191 W C 2.352 178.733 176.519 -0.230 0.000 1.259 191 W CA 0.784 58.037 57.345 -0.154 0.000 1.251 191 W CB -0.609 28.759 29.460 -0.153 0.000 1.161 191 W HN 0.178 nan 8.180 nan 0.000 0.466 192 F N -0.061 119.842 119.950 -0.078 0.000 2.087 192 F HA -0.314 4.213 4.527 0.001 0.000 0.299 192 F C 2.210 177.670 175.800 -0.566 0.000 1.100 192 F CA 1.664 59.367 58.000 -0.495 0.000 1.226 192 F CB -1.268 37.065 39.000 -1.112 0.000 0.983 192 F HN -0.140 nan 8.300 nan 0.000 0.479 193 I N -0.686 119.710 120.570 -0.290 0.000 2.151 193 I HA -0.348 3.822 4.170 0.001 0.000 0.243 193 I C 2.370 178.540 176.117 0.088 0.000 1.080 193 I CA 1.835 63.073 61.300 -0.103 0.000 1.339 193 I CB -0.879 37.026 38.000 -0.159 0.000 1.039 193 I HN 0.163 nan 8.210 nan 0.000 0.409 194 T N 1.219 115.800 114.554 0.045 0.000 2.668 194 T HA -0.103 4.248 4.350 0.001 0.000 0.262 194 T C 1.962 176.773 174.700 0.186 0.000 1.045 194 T CA 1.214 63.373 62.100 0.099 0.000 1.152 194 T CB -0.364 68.542 68.868 0.064 0.000 0.864 194 T HN 0.219 nan 8.240 nan 0.000 0.419 195 L N 1.772 123.097 121.223 0.171 0.000 2.129 195 L HA -0.169 4.171 4.340 0.001 0.000 0.212 195 L C 2.887 179.855 176.870 0.164 0.000 1.087 195 L CA 1.476 56.405 54.840 0.149 0.000 0.757 195 L CB -0.891 41.223 42.059 0.092 0.000 0.896 195 L HN 0.422 nan 8.230 nan 0.000 0.434 196 S N -1.026 114.779 115.700 0.175 0.000 2.387 196 S HA -0.270 4.200 4.470 0.001 0.000 0.230 196 S C 1.629 176.274 174.600 0.076 0.000 1.035 196 S CA 1.608 59.901 58.200 0.155 0.000 1.014 196 S CB -0.694 62.617 63.200 0.185 0.000 0.836 196 S HN 0.533 nan 8.310 nan 0.000 0.466 197 H N 1.102 120.232 119.070 0.100 0.000 2.551 197 H HA 0.378 4.934 4.556 0.001 0.000 0.266 197 H C 1.719 177.089 175.328 0.071 0.000 0.977 197 H CA 1.141 57.237 56.048 0.080 0.000 1.163 197 H CB -0.034 29.765 29.762 0.063 0.000 1.381 197 H HN 0.758 nan 8.280 nan 0.000 0.581 198 I N -5.230 115.449 120.570 0.181 0.000 4.774 198 I HA 0.421 4.591 4.170 0.001 0.000 0.330 198 I C 1.927 178.109 176.117 0.109 0.000 1.287 198 I CA 0.272 61.648 61.300 0.126 0.000 1.311 198 I CB 0.127 38.190 38.000 0.105 0.000 1.315 198 I HN -0.010 nan 8.210 nan 0.000 0.459 199 A N 2.692 125.588 122.820 0.128 0.000 2.042 199 A HA -0.259 4.062 4.320 0.001 0.000 0.222 199 A C 1.922 179.636 177.584 0.217 0.000 1.167 199 A CA 2.458 54.588 52.037 0.155 0.000 0.649 199 A CB -0.781 18.332 19.000 0.189 0.000 0.809 199 A HN 0.786 nan 8.150 nan 0.000 0.457 200 D N -1.886 118.625 120.400 0.184 0.000 2.417 200 D HA 0.048 4.688 4.640 0.001 0.000 0.207 200 D C 1.510 177.890 176.300 0.132 0.000 1.075 200 D CA 0.489 54.612 54.000 0.205 0.000 0.851 200 D CB -0.087 40.796 40.800 0.138 0.000 0.976 200 D HN 0.451 nan 8.370 nan 0.000 0.505 201 K N 0.208 120.666 120.400 0.095 0.000 2.190 201 K HA 0.244 4.564 4.320 0.001 0.000 0.202 201 K C 1.066 177.691 176.600 0.042 0.000 1.045 201 K CA 0.038 56.364 56.287 0.066 0.000 0.976 201 K CB 0.619 33.158 32.500 0.065 0.000 0.849 201 K HN 0.017 nan 8.250 nan 0.000 0.468 202 L N 2.678 123.921 121.223 0.034 0.000 2.464 202 L HA 0.166 4.506 4.340 0.001 0.000 0.264 202 L C -2.198 174.659 176.870 -0.022 0.000 1.199 202 L CA -2.031 52.813 54.840 0.007 0.000 0.818 202 L CB -0.218 41.843 42.059 0.003 0.000 1.102 202 L HN -0.085 nan 8.230 nan 0.000 0.473 203 P HA 0.228 nan 4.420 nan 0.000 0.276 203 P C -0.827 176.411 177.300 -0.102 0.000 1.230 203 P CA -0.474 62.589 63.100 -0.063 0.000 0.776 203 P CB 0.680 32.352 31.700 -0.048 0.000 0.888 204 L N 5.246 126.381 121.223 -0.148 0.000 2.418 204 L HA 0.420 4.760 4.340 0.001 0.000 0.265 204 L C -1.607 175.174 176.870 -0.148 0.000 1.143 204 L CA -1.270 53.455 54.840 -0.191 0.000 0.809 204 L CB -0.521 41.361 42.059 -0.295 0.000 1.124 204 L HN 0.380 nan 8.230 nan 0.000 0.456 205 P HA 0.323 nan 4.420 nan 0.000 0.285 205 P C -0.850 176.339 177.300 -0.184 0.000 1.259 205 P CA -0.306 62.687 63.100 -0.178 0.000 0.794 205 P CB 1.063 32.659 31.700 -0.173 0.000 0.940 206 I N 3.072 123.530 120.570 -0.185 0.000 2.365 206 I HA 0.254 4.425 4.170 0.001 0.000 0.291 206 I C 0.655 176.624 176.117 -0.246 0.000 1.004 206 I CA -0.464 60.734 61.300 -0.170 0.000 1.311 206 I CB 0.921 38.853 38.000 -0.113 0.000 1.401 206 I HN 0.201 nan 8.210 nan 0.000 0.491 207 K N 7.922 128.143 120.400 -0.298 0.000 2.579 207 K HA 0.660 4.981 4.320 0.001 0.000 0.250 207 K C -1.355 175.135 176.600 -0.183 0.000 0.952 207 K CA -0.515 55.456 56.287 -0.528 0.000 0.857 207 K CB 2.185 33.985 32.500 -1.166 0.000 1.123 207 K HN 0.455 nan 8.250 nan 0.000 0.433 208 L N 3.680 124.921 121.223 0.031 0.000 2.371 208 L HA 0.695 5.036 4.340 0.001 0.000 0.262 208 L C -0.672 176.456 176.870 0.429 0.000 1.006 208 L CA -1.239 53.748 54.840 0.246 0.000 0.818 208 L CB 1.342 43.519 42.059 0.197 0.000 1.354 208 L HN 0.606 nan 8.230 nan 0.000 0.415 209 F N -0.181 119.927 119.950 0.262 0.000 2.685 209 F HA 0.866 5.394 4.527 0.001 0.000 0.315 209 F C -0.774 175.110 175.800 0.139 0.000 1.126 209 F CA -0.758 57.290 58.000 0.081 0.000 0.950 209 F CB 2.118 40.829 39.000 -0.481 0.000 1.360 209 F HN 0.401 nan 8.300 nan 0.000 0.469 210 S N 1.447 116.976 115.700 -0.285 0.000 2.556 210 S HA 0.660 5.130 4.470 0.001 0.000 0.280 210 S C -1.880 172.644 174.600 -0.127 0.000 1.141 210 S CA -0.645 57.297 58.200 -0.429 0.000 0.883 210 S CB 1.163 64.123 63.200 -0.401 0.000 1.103 210 S HN 0.773 nan 8.310 nan 0.000 0.453 211 I N 3.823 124.351 120.570 -0.070 0.000 2.495 211 I HA 0.481 4.651 4.170 0.001 0.000 0.277 211 I C -0.701 175.481 176.117 0.109 0.000 1.045 211 I CA -0.333 61.029 61.300 0.102 0.000 1.135 211 I CB 1.380 39.510 38.000 0.217 0.000 1.241 211 I HN 0.532 nan 8.210 nan 0.000 0.469 212 D N 3.977 124.410 120.400 0.055 0.000 2.744 212 D HA 0.469 5.109 4.640 0.001 0.000 0.304 212 D C -0.425 175.737 176.300 -0.229 0.000 1.179 212 D CA -0.699 53.302 54.000 0.003 0.000 1.024 212 D CB 2.183 42.915 40.800 -0.113 0.000 1.453 212 D HN 0.197 nan 8.370 nan 0.000 0.529 213 R N -0.158 120.068 120.500 -0.457 0.000 2.539 213 R HA 0.565 4.906 4.340 0.001 0.000 0.275 213 R C -0.660 175.217 176.300 -0.704 0.000 1.077 213 R CA -0.253 55.338 56.100 -0.848 0.000 1.097 213 R CB 0.835 30.622 30.300 -0.856 0.000 1.018 213 R HN 0.294 nan 8.270 nan 0.000 0.483 214 C N 2.104 120.800 119.300 -1.006 0.000 2.994 214 C HA 0.616 5.077 4.460 0.001 0.000 0.304 214 C C -1.295 173.218 174.990 -0.795 0.000 1.273 214 C CA -0.804 57.785 59.018 -0.714 0.000 1.537 214 C CB 1.209 28.489 27.740 -0.767 0.000 2.001 214 C HN 0.655 nan 8.230 nan 0.000 0.471 215 F N 1.334 121.240 119.950 -0.072 0.000 2.540 215 F HA 0.779 5.307 4.527 0.001 0.000 0.317 215 F C 0.147 176.084 175.800 0.229 0.000 1.104 215 F CA -0.621 57.385 58.000 0.009 0.000 0.913 215 F CB 1.319 40.154 39.000 -0.275 0.000 1.170 215 F HN 0.382 nan 8.300 nan 0.000 0.450 216 R N 1.345 122.157 120.500 0.520 0.000 2.584 216 R HA 0.406 4.747 4.340 0.001 0.000 0.276 216 R C -1.005 175.583 176.300 0.481 0.000 1.046 216 R CA -0.847 55.523 56.100 0.450 0.000 0.906 216 R CB 1.777 32.243 30.300 0.276 0.000 1.215 216 R HN 0.745 nan 8.270 nan 0.000 0.449 217 R N 3.512 124.148 120.500 0.226 0.000 3.570 217 R HA 0.139 4.480 4.340 0.001 0.000 0.233 217 R C -0.945 175.358 176.300 0.005 0.000 1.492 217 R CA -0.275 55.788 56.100 -0.063 0.000 1.504 217 R CB 0.557 30.558 30.300 -0.498 0.000 1.314 217 R HN 0.498 nan 8.270 nan 0.000 0.687 218 E N 2.810 123.074 120.200 0.106 0.000 1.865 218 E HA -0.040 4.311 4.350 0.001 0.000 0.269 218 E C 0.276 176.924 176.600 0.080 0.000 1.177 218 E CA -0.040 56.405 56.400 0.075 0.000 0.932 218 E CB 1.108 30.854 29.700 0.077 0.000 1.066 218 E HN 0.559 nan 8.360 nan 0.000 0.405 219 Q N 2.207 122.029 119.800 0.036 0.000 2.261 219 Q HA -0.247 4.094 4.340 0.001 0.000 0.155 219 Q C 0.639 176.672 176.000 0.055 0.000 0.598 219 Q CA 2.127 57.952 55.803 0.036 0.000 1.376 219 Q CB -1.491 27.278 28.738 0.051 0.000 1.356 219 Q HN 0.934 nan 8.270 nan 0.000 0.947 220 G N 0.026 108.887 108.800 0.101 0.000 2.298 220 G HA2 -0.274 3.687 3.960 0.001 0.000 0.287 220 G HA3 -0.274 3.687 3.960 0.001 0.000 0.287 220 G C -0.089 175.002 174.900 0.319 0.000 1.075 220 G CA 0.724 45.928 45.100 0.174 0.000 0.960 220 G HN 0.558 nan 8.290 nan 0.000 0.502 221 E N -1.520 118.868 120.200 0.314 0.000 2.604 221 E HA 0.695 5.046 4.350 0.001 0.000 0.201 221 E C 0.696 177.333 176.600 0.062 0.000 0.728 221 E CA -0.413 56.088 56.400 0.170 0.000 1.030 221 E CB 0.811 30.570 29.700 0.098 0.000 1.759 221 E HN 0.062 nan 8.360 nan 0.000 0.377 222 D N -1.546 118.858 120.400 0.006 0.000 1.921 222 D HA 0.137 4.778 4.640 0.001 0.000 0.470 222 D C 1.280 177.580 176.300 -0.000 0.000 0.957 222 D CA 0.749 54.718 54.000 -0.051 0.000 0.974 222 D CB -0.311 40.425 40.800 -0.107 0.000 1.682 222 D HN 0.314 nan 8.370 nan 0.000 0.528 223 A N 0.263 123.088 122.820 0.008 0.000 1.986 223 A HA -0.135 4.185 4.320 0.001 0.000 0.220 223 A C 2.088 179.691 177.584 0.031 0.000 1.171 223 A CA 3.210 55.255 52.037 0.014 0.000 0.640 223 A CB -0.871 18.137 19.000 0.013 0.000 0.811 223 A HN 0.467 nan 8.150 nan 0.000 0.451 224 T N -3.516 111.062 114.554 0.040 0.000 2.988 224 T HA 0.333 4.683 4.350 0.001 0.000 0.240 224 T C 0.972 175.706 174.700 0.056 0.000 1.014 224 T CA 0.325 62.455 62.100 0.049 0.000 1.155 224 T CB 0.074 68.972 68.868 0.051 0.000 0.872 224 T HN 0.447 nan 8.240 nan 0.000 0.440 225 R N -0.365 120.171 120.500 0.059 0.000 2.781 225 R HA 0.710 5.051 4.340 0.001 0.000 0.269 225 R C -1.273 175.070 176.300 0.071 0.000 1.025 225 R CA -0.906 55.233 56.100 0.064 0.000 0.914 225 R CB 1.589 31.918 30.300 0.049 0.000 1.236 225 R HN 0.099 nan 8.270 nan 0.000 0.465 226 L N 0.331 121.609 121.223 0.091 0.000 2.416 226 L HA 0.402 4.743 4.340 0.001 0.000 0.263 226 L C 0.912 177.924 176.870 0.237 0.000 1.065 226 L CA -0.634 54.252 54.840 0.077 0.000 0.798 226 L CB 0.561 42.700 42.059 0.133 0.000 1.267 226 L HN 0.654 nan 8.230 nan 0.000 0.467 227 Y N -0.786 119.620 120.300 0.177 0.000 2.395 227 Y HA -0.011 4.540 4.550 0.001 0.000 0.293 227 Y C 0.593 176.586 175.900 0.155 0.000 1.123 227 Y CA -0.089 58.151 58.100 0.232 0.000 1.227 227 Y CB 0.414 39.028 38.460 0.257 0.000 1.012 227 Y HN 0.509 nan 8.280 nan 0.000 0.552 228 T N 0.827 115.502 114.554 0.201 0.000 2.848 228 T HA 0.412 4.762 4.350 0.001 0.000 0.285 228 T C -1.140 173.540 174.700 -0.033 0.000 0.995 228 T CA -0.581 61.440 62.100 -0.132 0.000 0.970 228 T CB 1.163 69.815 68.868 -0.359 0.000 0.976 228 T HN 0.164 nan 8.240 nan 0.000 0.441 229 Y N 0.195 120.292 120.300 -0.339 0.000 2.638 229 Y HA 0.852 5.402 4.550 0.001 0.000 0.339 229 Y C -1.783 173.903 175.900 -0.357 0.000 1.084 229 Y CA -2.093 55.885 58.100 -0.204 0.000 1.068 229 Y CB 1.100 39.536 38.460 -0.040 0.000 1.294 229 Y HN 0.430 nan 8.280 nan 0.000 0.480 230 F N 1.348 121.205 119.950 -0.155 0.000 2.420 230 F HA 0.552 5.079 4.527 0.001 0.000 0.342 230 F C 0.382 176.128 175.800 -0.089 0.000 1.113 230 F CA -0.499 57.379 58.000 -0.204 0.000 1.059 230 F CB 2.074 41.016 39.000 -0.096 0.000 1.128 230 F HN 0.558 nan 8.300 nan 0.000 0.475 231 S N 2.220 117.918 115.700 -0.003 0.000 2.451 231 S HA 0.772 5.242 4.470 0.001 0.000 0.301 231 S C -0.417 174.288 174.600 0.177 0.000 1.116 231 S CA -0.589 57.684 58.200 0.123 0.000 1.093 231 S CB 0.902 64.142 63.200 0.065 0.000 1.017 231 S HN 0.736 nan 8.310 nan 0.000 0.482 232 A N 3.943 126.901 122.820 0.231 0.000 2.838 232 A HA 0.595 4.916 4.320 0.001 0.000 0.337 232 A C 0.208 177.975 177.584 0.305 0.000 1.383 232 A CA -0.519 51.695 52.037 0.296 0.000 0.985 232 A CB -0.013 19.183 19.000 0.326 0.000 1.157 232 A HN 0.671 nan 8.150 nan 0.000 0.497 233 S N 0.553 116.388 115.700 0.225 0.000 2.690 233 S HA 0.794 5.264 4.470 0.001 0.000 0.291 233 S C -0.081 174.617 174.600 0.162 0.000 1.138 233 S CA 0.056 58.420 58.200 0.273 0.000 1.013 233 S CB 0.981 64.461 63.200 0.467 0.000 1.053 233 S HN 1.628 nan 8.310 nan 0.000 0.539 234 C N 1.391 120.745 119.300 0.089 0.000 3.318 234 C HA 0.927 5.387 4.460 0.001 0.000 0.322 234 C C -0.991 173.750 174.990 -0.416 0.000 1.398 234 C CA -0.416 58.543 59.018 -0.099 0.000 1.339 234 C CB 0.489 28.125 27.740 -0.174 0.000 1.668 234 C HN 1.126 nan 8.230 nan 0.000 0.462 235 V N -0.095 119.509 119.914 -0.517 0.000 2.851 235 V HA 0.751 4.871 4.120 0.001 0.000 0.307 235 V C -1.252 174.680 176.094 -0.270 0.000 1.129 235 V CA -0.571 61.361 62.300 -0.612 0.000 0.932 235 V CB 1.440 32.571 31.823 -1.155 0.000 1.024 235 V HN 1.244 nan 8.190 nan 0.000 0.426 236 L N 4.610 125.707 121.223 -0.209 0.000 2.333 236 L HA 0.802 5.142 4.340 0.001 0.000 0.280 236 L C -1.158 175.605 176.870 -0.178 0.000 1.004 236 L CA -0.730 54.010 54.840 -0.165 0.000 0.820 236 L CB 1.954 43.964 42.059 -0.081 0.000 1.247 236 L HN 0.726 nan 8.230 nan 0.000 0.416 237 V N 3.883 123.695 119.914 -0.170 0.000 2.349 237 V HA 0.493 4.613 4.120 0.001 0.000 0.284 237 V C -0.742 175.260 176.094 -0.154 0.000 1.014 237 V CA -0.482 61.742 62.300 -0.125 0.000 0.826 237 V CB 1.320 33.086 31.823 -0.096 0.000 1.009 237 V HN 0.668 nan 8.190 nan 0.000 0.431 238 D N 1.949 122.274 120.400 -0.125 0.000 2.579 238 D HA 0.381 5.022 4.640 0.001 0.000 0.257 238 D C 0.918 177.158 176.300 -0.101 0.000 1.176 238 D CA -0.616 53.287 54.000 -0.161 0.000 0.914 238 D CB 2.406 43.132 40.800 -0.123 0.000 1.431 238 D HN 0.427 nan 8.370 nan 0.000 0.454 239 E N -0.153 119.978 120.200 -0.115 0.000 2.051 239 E HA -0.080 4.270 4.350 0.001 0.000 0.192 239 E C -0.116 176.518 176.600 0.058 0.000 0.991 239 E CA 0.879 57.299 56.400 0.033 0.000 0.799 239 E CB 0.231 29.941 29.700 0.018 0.000 0.748 239 E HN 0.281 nan 8.360 nan 0.000 0.449 240 E N 0.617 120.822 120.200 0.009 0.000 2.165 240 E HA 0.435 4.785 4.350 0.001 0.000 0.266 240 E C -0.517 176.079 176.600 -0.007 0.000 0.889 240 E CA -0.193 56.214 56.400 0.011 0.000 0.756 240 E CB 1.974 31.676 29.700 0.003 0.000 1.131 240 E HN 0.051 nan 8.360 nan 0.000 0.411 241 L N 0.993 122.217 121.223 0.002 0.000 2.341 241 L HA 0.626 4.966 4.340 0.001 0.000 0.254 241 L C -0.247 176.620 176.870 -0.005 0.000 1.040 241 L CA -0.753 54.079 54.840 -0.013 0.000 0.837 241 L CB 2.171 44.221 42.059 -0.015 0.000 1.425 241 L HN 0.687 nan 8.230 nan 0.000 0.414 242 S N -1.469 114.223 115.700 -0.013 0.000 2.615 242 S HA 0.148 4.619 4.470 0.001 0.000 0.268 242 S C -0.019 174.584 174.600 0.005 0.000 1.146 242 S CA -0.379 57.819 58.200 -0.003 0.000 0.818 242 S CB 1.327 64.520 63.200 -0.011 0.000 1.111 242 S HN 0.352 nan 8.310 nan 0.000 0.465 243 V N 1.268 121.200 119.914 0.030 0.000 2.794 243 V HA -0.193 3.927 4.120 0.001 0.000 0.260 243 V C 1.537 177.650 176.094 0.032 0.000 1.103 243 V CA 2.851 65.215 62.300 0.106 0.000 1.125 243 V CB -1.321 30.532 31.823 0.051 0.000 0.702 243 V HN 0.889 nan 8.190 nan 0.000 0.494 244 D N -0.021 120.346 120.400 -0.055 0.000 2.097 244 D HA -0.153 4.487 4.640 0.001 0.000 0.197 244 D C 1.762 177.950 176.300 -0.186 0.000 0.984 244 D CA 1.702 55.624 54.000 -0.130 0.000 0.826 244 D CB -0.296 40.452 40.800 -0.087 0.000 0.973 244 D HN 0.568 nan 8.370 nan 0.000 0.460 245 D N -0.032 120.282 120.400 -0.143 0.000 2.190 245 D HA -0.101 4.540 4.640 0.001 0.000 0.200 245 D C 2.142 178.267 176.300 -0.293 0.000 0.992 245 D CA 1.385 55.288 54.000 -0.161 0.000 0.854 245 D CB -0.452 40.283 40.800 -0.108 0.000 0.936 245 D HN 0.277 nan 8.370 nan 0.000 0.462 246 G N 0.832 109.374 108.800 -0.430 0.000 2.433 246 G HA2 -0.289 3.671 3.960 0.001 0.000 0.216 246 G HA3 -0.289 3.671 3.960 0.001 0.000 0.216 246 G C 1.453 175.642 174.900 -1.185 0.000 1.186 246 G CA 0.682 45.142 45.100 -1.067 0.000 0.779 246 G HN 0.214 nan 8.290 nan 0.000 0.543 247 K N 0.758 120.608 120.400 -0.916 0.000 2.032 247 K HA -0.037 4.283 4.320 0.001 0.000 0.209 247 K C 2.947 179.322 176.600 -0.374 0.000 1.048 247 K CA 1.100 56.921 56.287 -0.778 0.000 0.927 247 K CB -0.322 31.529 32.500 -1.082 0.000 0.712 247 K HN 0.267 nan 8.250 nan 0.000 0.441 248 A N 1.212 123.848 122.820 -0.308 0.000 1.873 248 A HA -0.188 4.132 4.320 0.001 0.000 0.218 248 A C 2.458 179.931 177.584 -0.184 0.000 1.193 248 A CA 1.953 53.884 52.037 -0.176 0.000 0.629 248 A CB -0.966 17.955 19.000 -0.132 0.000 0.826 248 A HN 0.092 nan 8.150 nan 0.000 0.447 249 V N -0.180 119.598 119.914 -0.227 0.000 2.287 249 V HA -0.270 3.850 4.120 0.001 0.000 0.248 249 V C 3.092 179.009 176.094 -0.296 0.000 1.053 249 V CA 2.087 64.251 62.300 -0.225 0.000 1.027 249 V CB -1.376 30.317 31.823 -0.216 0.000 0.646 249 V HN 0.665 nan 8.190 nan 0.000 0.447 250 A N -0.332 122.290 122.820 -0.330 0.000 1.917 250 A HA -0.345 3.976 4.320 0.001 0.000 0.219 250 A C 2.264 179.563 177.584 -0.475 0.000 1.182 250 A CA 2.452 54.295 52.037 -0.324 0.000 0.633 250 A CB -0.583 18.321 19.000 -0.160 0.000 0.819 250 A HN 0.706 nan 8.150 nan 0.000 0.448 251 E N -0.259 119.659 120.200 -0.470 0.000 2.001 251 E HA -0.119 4.232 4.350 0.001 0.000 0.195 251 E C 2.208 178.623 176.600 -0.308 0.000 1.002 251 E CA 1.255 57.262 56.400 -0.655 0.000 0.819 251 E CB -0.408 29.150 29.700 -0.237 0.000 0.769 251 E HN 0.472 nan 8.360 nan 0.000 0.454 252 A N 0.988 123.704 122.820 -0.173 0.000 1.940 252 A HA -0.245 4.075 4.320 0.001 0.000 0.221 252 A C 2.180 179.683 177.584 -0.136 0.000 1.190 252 A CA 1.864 53.836 52.037 -0.108 0.000 0.647 252 A CB -0.885 18.057 19.000 -0.097 0.000 0.821 252 A HN 0.426 nan 8.150 nan 0.000 0.457 253 L N -0.908 120.175 121.223 -0.232 0.000 1.973 253 L HA -0.072 4.269 4.340 0.001 0.000 0.208 253 L C 2.174 179.036 176.870 -0.013 0.000 1.073 253 L CA 1.561 56.255 54.840 -0.244 0.000 0.746 253 L CB -0.510 41.282 42.059 -0.446 0.000 0.891 253 L HN 0.276 nan 8.230 nan 0.000 0.433 254 L N -0.125 121.039 121.223 -0.099 0.000 2.187 254 L HA -0.166 4.174 4.340 0.001 0.000 0.213 254 L C 2.721 179.886 176.870 0.493 0.000 1.100 254 L CA 1.397 56.308 54.840 0.119 0.000 0.765 254 L CB -1.522 40.379 42.059 -0.264 0.000 0.904 254 L HN 0.375 nan 8.230 nan 0.000 0.437 255 R N -0.162 120.529 120.500 0.319 0.000 2.081 255 R HA -0.143 4.198 4.340 0.001 0.000 0.235 255 R C 1.901 178.292 176.300 0.151 0.000 1.131 255 R CA 0.878 57.166 56.100 0.312 0.000 0.960 255 R CB -0.352 30.080 30.300 0.221 0.000 0.856 255 R HN 0.562 nan 8.270 nan 0.000 0.436 256 Q N -0.545 119.295 119.800 0.067 0.000 2.508 256 Q HA -0.096 4.244 4.340 0.001 0.000 0.214 256 Q C 0.648 176.457 176.000 -0.319 0.000 0.979 256 Q CA 0.919 56.636 55.803 -0.145 0.000 0.911 256 Q CB 0.026 28.616 28.738 -0.248 0.000 0.969 256 Q HN 0.301 nan 8.270 nan 0.000 0.504 257 F N -1.439 118.558 119.950 0.078 0.000 2.661 257 F HA 0.304 4.831 4.527 0.001 0.000 0.306 257 F C 1.331 177.082 175.800 -0.081 0.000 1.094 257 F CA 0.320 58.362 58.000 0.070 0.000 1.254 257 F CB 1.398 40.545 39.000 0.245 0.000 1.040 257 F HN 0.083 nan 8.300 nan 0.000 0.562 258 G N -0.246 108.514 108.800 -0.068 0.000 2.201 258 G HA2 -0.257 3.703 3.960 0.001 0.000 0.212 258 G HA3 -0.257 3.703 3.960 0.001 0.000 0.212 258 G C 0.209 174.587 174.900 -0.869 0.000 0.994 258 G CA -0.709 44.118 45.100 -0.455 0.000 0.644 258 G HN 0.114 nan 8.290 nan 0.000 0.508 259 F N 1.266 121.039 119.950 -0.294 0.000 2.471 259 F HA 0.515 5.043 4.527 0.001 0.000 0.353 259 F C 1.573 177.164 175.800 -0.349 0.000 1.113 259 F CA 0.712 58.522 58.000 -0.317 0.000 1.262 259 F CB 0.785 39.872 39.000 0.144 0.000 1.146 259 F HN 0.124 nan 8.300 nan 0.000 0.578 260 E N 0.252 120.214 120.200 -0.395 0.000 2.441 260 E HA 0.096 4.446 4.350 0.001 0.000 0.212 260 E C -0.144 176.149 176.600 -0.512 0.000 0.840 260 E CA -0.098 56.102 56.400 -0.333 0.000 1.143 260 E CB 0.582 30.179 29.700 -0.172 0.000 1.153 260 E HN 0.591 nan 8.360 nan 0.000 0.539 261 N N -0.012 118.277 118.700 -0.685 0.000 2.225 261 N HA 0.379 5.119 4.740 0.001 0.000 0.298 261 N C -1.723 173.340 175.510 -0.747 0.000 1.076 261 N CA -0.444 52.246 53.050 -0.599 0.000 0.792 261 N CB 1.268 39.661 38.487 -0.157 0.000 1.498 261 N HN -0.212 nan 8.380 nan 0.000 0.474 262 F N 1.325 121.461 119.950 0.311 0.000 2.551 262 F HA 0.602 5.129 4.527 0.001 0.000 0.316 262 F C -0.033 175.887 175.800 0.200 0.000 1.089 262 F CA -0.866 57.280 58.000 0.242 0.000 0.915 262 F CB 1.551 40.535 39.000 -0.026 0.000 1.186 262 F HN 0.130 nan 8.300 nan 0.000 0.456 263 R N 2.238 122.859 120.500 0.201 0.000 2.575 263 R HA 0.523 4.863 4.340 0.001 0.000 0.293 263 R C -1.886 174.335 176.300 -0.132 0.000 0.983 263 R CA -0.851 55.258 56.100 0.014 0.000 0.887 263 R CB 1.711 31.906 30.300 -0.174 0.000 1.184 263 R HN 0.489 nan 8.270 nan 0.000 0.445 264 F N 2.439 122.535 119.950 0.243 0.000 2.458 264 F HA 0.555 5.083 4.527 0.001 0.000 0.336 264 F C 0.838 176.723 175.800 0.141 0.000 1.114 264 F CA -0.976 57.168 58.000 0.239 0.000 0.987 264 F CB 1.522 40.662 39.000 0.233 0.000 1.130 264 F HN 0.270 nan 8.300 nan 0.000 0.458 265 R N 1.921 122.602 120.500 0.300 0.000 2.561 265 R HA 0.501 4.842 4.340 0.001 0.000 0.297 265 R C -1.049 175.316 176.300 0.109 0.000 0.969 265 R CA -1.099 55.097 56.100 0.161 0.000 0.879 265 R CB 1.439 31.799 30.300 0.099 0.000 1.178 265 R HN 0.304 nan 8.270 nan 0.000 0.445 266 K N 2.281 122.708 120.400 0.046 0.000 2.511 266 K HA -0.053 4.268 4.320 0.001 0.000 0.280 266 K C -0.335 176.270 176.600 0.008 0.000 1.008 266 K CA 0.290 56.572 56.287 -0.009 0.000 1.050 266 K CB 0.366 32.859 32.500 -0.011 0.000 0.889 266 K HN 0.628 nan 8.250 nan 0.000 0.484 267 D N 2.630 123.016 120.400 -0.024 0.000 2.351 267 D HA 0.003 4.643 4.640 0.001 0.000 0.251 267 D C 0.814 177.132 176.300 0.031 0.000 1.137 267 D CA 0.104 54.114 54.000 0.017 0.000 0.879 267 D CB 0.783 41.582 40.800 -0.000 0.000 1.181 267 D HN 0.368 nan 8.370 nan 0.000 0.448 268 E N 2.387 122.619 120.200 0.053 0.000 2.072 268 E HA -0.198 4.152 4.350 0.001 0.000 0.191 268 E C 1.662 178.301 176.600 0.065 0.000 0.985 268 E CA 0.878 57.309 56.400 0.053 0.000 0.801 268 E CB 0.032 29.765 29.700 0.055 0.000 0.750 268 E HN 0.581 nan 8.360 nan 0.000 0.452 269 K N 1.201 121.651 120.400 0.084 0.000 2.442 269 K HA -0.126 4.194 4.320 0.001 0.000 0.200 269 K C 0.219 176.888 176.600 0.115 0.000 1.045 269 K CA 0.766 57.117 56.287 0.105 0.000 0.937 269 K CB -0.422 32.159 32.500 0.134 0.000 0.757 269 K HN -0.057 nan 8.250 nan 0.000 0.474 270 R N 1.640 122.195 120.500 0.093 0.000 2.828 270 R HA -0.139 4.202 4.340 0.001 0.000 0.233 270 R C -0.816 175.559 176.300 0.125 0.000 0.821 270 R CA 0.353 56.505 56.100 0.087 0.000 0.563 270 R CB -1.906 28.433 30.300 0.067 0.000 1.117 270 R HN 0.249 nan 8.270 nan 0.000 0.508 271 S N 1.258 117.060 115.700 0.169 0.000 2.558 271 S HA -0.034 4.436 4.470 0.001 0.000 0.293 271 S C 1.460 176.132 174.600 0.121 0.000 1.292 271 S CA -0.367 57.970 58.200 0.227 0.000 1.063 271 S CB 0.731 64.115 63.200 0.307 0.000 0.831 271 S HN 0.254 nan 8.310 nan 0.000 0.499 272 K N 2.173 122.698 120.400 0.207 0.000 2.280 272 K HA -0.126 4.194 4.320 0.001 0.000 0.202 272 K C 1.563 178.185 176.600 0.036 0.000 1.047 272 K CA 1.252 57.614 56.287 0.127 0.000 0.942 272 K CB -0.446 32.156 32.500 0.170 0.000 0.739 272 K HN 0.917 nan 8.250 nan 0.000 0.457 273 Y N -1.624 118.532 120.300 -0.239 0.000 2.578 273 Y HA 0.071 4.622 4.550 0.001 0.000 0.297 273 Y C -0.134 175.692 175.900 -0.125 0.000 1.176 273 Y CA -0.571 57.310 58.100 -0.366 0.000 1.315 273 Y CB -0.630 37.368 38.460 -0.770 0.000 1.031 273 Y HN -0.192 nan 8.280 nan 0.000 0.524 274 Y N 1.526 121.683 120.300 -0.239 0.000 2.328 274 Y HA 0.387 4.937 4.550 0.001 0.000 0.337 274 Y C 0.246 176.128 175.900 -0.031 0.000 0.966 274 Y CA -2.662 55.361 58.100 -0.129 0.000 1.136 274 Y CB 0.732 39.020 38.460 -0.287 0.000 1.170 274 Y HN -0.086 nan 8.280 nan 0.000 0.470 275 I N 7.115 127.815 120.570 0.216 0.000 3.148 275 I HA -0.143 4.027 4.170 0.001 0.000 0.317 275 I C -1.734 174.433 176.117 0.083 0.000 1.237 275 I CA -0.727 60.650 61.300 0.128 0.000 1.423 275 I CB 0.232 38.300 38.000 0.113 0.000 1.352 275 I HN 0.355 nan 8.210 nan 0.000 0.526 276 P HA -0.144 nan 4.420 nan 0.000 0.255 276 P C 0.015 177.329 177.300 0.023 0.000 1.151 276 P CA 0.653 63.781 63.100 0.045 0.000 0.767 276 P CB 0.361 32.087 31.700 0.044 0.000 0.736 277 D N 1.526 121.930 120.400 0.005 0.000 3.082 277 D HA -0.126 4.515 4.640 0.001 0.000 0.216 277 D C 0.754 177.022 176.300 -0.053 0.000 1.114 277 D CA 1.839 55.827 54.000 -0.019 0.000 0.886 277 D CB -1.436 39.361 40.800 -0.004 0.000 1.096 277 D HN 0.479 nan 8.370 nan 0.000 0.431 278 T N -3.734 110.768 114.554 -0.087 0.000 2.999 278 T HA 0.095 4.446 4.350 0.001 0.000 0.247 278 T C 1.034 175.525 174.700 -0.349 0.000 1.012 278 T CA 0.252 62.263 62.100 -0.148 0.000 1.048 278 T CB -0.052 68.764 68.868 -0.088 0.000 1.020 278 T HN 0.288 nan 8.240 nan 0.000 0.478 279 Q N 2.308 121.886 119.800 -0.370 0.000 2.264 279 Q HA 0.206 4.547 4.340 0.001 0.000 0.296 279 Q C -0.974 174.749 176.000 -0.461 0.000 1.103 279 Q CA 0.517 55.994 55.803 -0.544 0.000 0.967 279 Q CB 0.033 28.607 28.738 -0.275 0.000 1.090 279 Q HN 0.377 nan 8.270 nan 0.000 0.379 280 T N 4.071 118.187 114.554 -0.730 0.000 2.930 280 T HA 0.426 4.776 4.350 0.001 0.000 0.290 280 T C -1.074 173.427 174.700 -0.333 0.000 1.052 280 T CA -0.807 60.962 62.100 -0.552 0.000 1.017 280 T CB 1.455 69.826 68.868 -0.828 0.000 1.137 280 T HN 0.553 nan 8.240 nan 0.000 0.511 281 E N 1.456 121.629 120.200 -0.044 0.000 2.185 281 E HA 0.473 4.824 4.350 0.001 0.000 0.261 281 E C -0.675 176.004 176.600 0.131 0.000 0.879 281 E CA -0.766 55.656 56.400 0.037 0.000 0.756 281 E CB 1.990 31.754 29.700 0.107 0.000 1.152 281 E HN 0.475 nan 8.360 nan 0.000 0.416 282 V N 1.683 121.629 119.914 0.053 0.000 2.465 282 V HA 0.523 4.643 4.120 0.001 0.000 0.279 282 V C -0.910 175.053 176.094 -0.218 0.000 1.045 282 V CA -0.253 62.035 62.300 -0.019 0.000 0.938 282 V CB 0.142 31.985 31.823 0.033 0.000 0.986 282 V HN 0.454 nan 8.190 nan 0.000 0.467 283 F N 4.256 124.184 119.950 -0.038 0.000 2.458 283 F HA 0.849 5.376 4.527 0.001 0.000 0.336 283 F C 0.558 176.588 175.800 0.383 0.000 1.114 283 F CA -0.008 58.102 58.000 0.184 0.000 0.987 283 F CB 2.028 41.149 39.000 0.202 0.000 1.130 283 F HN 0.924 nan 8.300 nan 0.000 0.458 284 A N 3.775 126.875 122.820 0.467 0.000 2.380 284 A HA 0.717 5.037 4.320 0.001 0.000 0.315 284 A C -1.822 175.783 177.584 0.034 0.000 1.101 284 A CA -0.609 51.616 52.037 0.314 0.000 0.771 284 A CB 1.009 20.069 19.000 0.100 0.000 1.287 284 A HN 0.718 nan 8.150 nan 0.000 0.436 285 F N 1.500 121.016 119.950 -0.724 0.000 2.404 285 F HA 0.594 5.121 4.527 0.001 0.000 0.354 285 F C -0.276 175.287 175.800 -0.396 0.000 1.122 285 F CA -0.110 57.278 58.000 -1.020 0.000 1.080 285 F CB 0.838 38.798 39.000 -1.733 0.000 1.131 285 F HN 0.732 nan 8.300 nan 0.000 0.471 286 H N 7.929 126.343 119.070 -1.093 0.000 2.727 286 H HA 0.327 4.883 4.556 0.001 0.000 0.330 286 H C -1.924 172.747 175.328 -1.095 0.000 0.986 286 H CA -2.259 53.147 56.048 -1.069 0.000 1.251 286 H CB 2.010 31.305 29.762 -0.778 0.000 1.493 286 H HN 0.380 nan 8.280 nan 0.000 0.515 287 P HA -0.242 nan 4.420 nan 0.000 0.218 287 P C 1.142 178.366 177.300 -0.127 0.000 1.146 287 P CA 1.207 64.058 63.100 -0.415 0.000 0.813 287 P CB 0.372 31.899 31.700 -0.288 0.000 0.778 288 K N -0.185 120.224 120.400 0.015 0.000 2.442 288 K HA -0.034 4.287 4.320 0.001 0.000 0.198 288 K C 2.013 178.529 176.600 -0.139 0.000 1.044 288 K CA 0.570 56.791 56.287 -0.111 0.000 0.948 288 K CB -0.359 31.947 32.500 -0.322 0.000 0.762 288 K HN 0.169 nan 8.250 nan 0.000 0.472 289 L N 0.833 121.982 121.223 -0.124 0.000 2.408 289 L HA 0.082 4.423 4.340 0.001 0.000 0.215 289 L C 0.371 177.279 176.870 0.064 0.000 1.081 289 L CA -0.266 54.556 54.840 -0.029 0.000 0.840 289 L CB 0.503 42.557 42.059 -0.008 0.000 1.002 289 L HN -0.001 nan 8.230 nan 0.000 0.468 290 V N -0.215 119.744 119.914 0.076 0.000 2.458 290 V HA 0.447 4.568 4.120 0.001 0.000 0.287 290 V C 1.017 177.165 176.094 0.090 0.000 1.009 290 V CA 0.304 62.687 62.300 0.138 0.000 1.091 290 V CB -0.283 31.655 31.823 0.192 0.000 0.960 290 V HN 0.538 nan 8.190 nan 0.000 0.476 291 G N 2.402 111.258 108.800 0.093 0.000 2.131 291 G HA2 -0.214 3.746 3.960 0.001 0.000 0.223 291 G HA3 -0.214 3.746 3.960 0.001 0.000 0.223 291 G C 0.245 175.179 174.900 0.057 0.000 0.990 291 G CA 0.193 45.332 45.100 0.065 0.000 0.671 291 G HN 1.538 nan 8.290 nan 0.000 0.521 292 S N -0.419 115.326 115.700 0.076 0.000 2.592 292 S HA 0.560 5.031 4.470 0.001 0.000 0.271 292 S C 1.278 175.919 174.600 0.069 0.000 1.326 292 S CA 0.622 58.867 58.200 0.075 0.000 1.024 292 S CB 0.887 64.157 63.200 0.117 0.000 0.921 292 S HN 0.665 nan 8.310 nan 0.000 0.527 293 S N 2.886 118.620 115.700 0.057 0.000 3.864 293 S HA 0.318 4.788 4.470 0.001 0.000 0.202 293 S C 0.184 174.810 174.600 0.043 0.000 1.402 293 S CA -0.146 58.080 58.200 0.043 0.000 1.072 293 S CB -0.997 62.224 63.200 0.034 0.000 1.383 293 S HN 0.769 nan 8.310 nan 0.000 0.458 294 T N -0.497 114.082 114.554 0.042 0.000 2.654 294 T HA 0.206 4.556 4.350 0.001 0.000 0.303 294 T C -0.114 174.566 174.700 -0.033 0.000 1.656 294 T CA -0.625 61.469 62.100 -0.010 0.000 0.971 294 T CB 0.421 69.283 68.868 -0.011 0.000 1.811 294 T HN -0.065 nan 8.240 nan 0.000 0.483 295 K N 0.483 120.790 120.400 -0.155 0.000 2.365 295 K HA 0.081 4.402 4.320 0.001 0.000 0.199 295 K C 1.098 177.689 176.600 -0.016 0.000 1.045 295 K CA 1.036 57.254 56.287 -0.114 0.000 0.962 295 K CB -0.417 31.979 32.500 -0.173 0.000 0.759 295 K HN 0.648 nan 8.250 nan 0.000 0.469 296 Y N 0.669 121.043 120.300 0.123 0.000 2.542 296 Y HA -0.059 4.491 4.550 0.001 0.000 0.326 296 Y C 2.262 178.252 175.900 0.149 0.000 1.218 296 Y CA -0.257 57.936 58.100 0.156 0.000 1.277 296 Y CB -0.038 38.501 38.460 0.132 0.000 1.064 296 Y HN 0.012 nan 8.280 nan 0.000 0.499 297 S N 0.992 116.828 115.700 0.227 0.000 2.368 297 S HA -0.200 4.270 4.470 0.001 0.000 0.225 297 S C 1.812 176.543 174.600 0.218 0.000 1.030 297 S CA 1.819 60.127 58.200 0.180 0.000 0.999 297 S CB -0.286 62.983 63.200 0.116 0.000 0.844 297 S HN 0.740 nan 8.310 nan 0.000 0.459 298 D N -0.199 120.354 120.400 0.255 0.000 2.384 298 D HA 0.102 4.743 4.640 0.001 0.000 0.222 298 D C 1.443 178.004 176.300 0.436 0.000 0.976 298 D CA 1.150 55.333 54.000 0.306 0.000 0.915 298 D CB -0.988 39.996 40.800 0.307 0.000 0.896 298 D HN 0.591 nan 8.370 nan 0.000 0.523 299 G N -1.223 107.824 108.800 0.412 0.000 2.234 299 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 299 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 299 G C -0.164 174.925 174.900 0.316 0.000 0.997 299 G CA -0.056 45.276 45.100 0.387 0.000 0.623 299 G HN 0.245 nan 8.290 nan 0.000 0.514 300 W N 0.239 121.785 121.300 0.410 0.000 2.359 300 W HA 0.841 5.501 4.660 0.001 0.000 0.344 300 W C 0.530 177.276 176.519 0.379 0.000 1.170 300 W CA -0.500 57.079 57.345 0.391 0.000 1.296 300 W CB 0.906 30.563 29.460 0.329 0.000 1.197 300 W HN 0.271 nan 8.180 nan 0.000 0.618 301 I N 0.420 121.346 120.570 0.593 0.000 2.828 301 I HA 0.122 4.293 4.170 0.001 0.000 0.295 301 I C -1.077 175.123 176.117 0.138 0.000 1.459 301 I CA -0.915 60.585 61.300 0.333 0.000 1.015 301 I CB 1.883 39.805 38.000 -0.131 0.000 1.345 301 I HN 0.441 nan 8.210 nan 0.000 0.449 302 E N 5.210 125.320 120.200 -0.149 0.000 2.257 302 E HA 0.164 4.515 4.350 0.001 0.000 0.278 302 E C -0.325 176.066 176.600 -0.348 0.000 1.049 302 E CA 0.061 56.002 56.400 -0.764 0.000 0.876 302 E CB 1.191 30.466 29.700 -0.708 0.000 1.035 302 E HN 0.591 nan 8.360 nan 0.000 0.419 303 I N 4.045 124.413 120.570 -0.336 0.000 4.032 303 I HA 0.343 4.513 4.170 0.001 0.000 0.313 303 I C -0.315 175.693 176.117 -0.182 0.000 1.272 303 I CA 0.273 61.423 61.300 -0.251 0.000 1.307 303 I CB 0.882 38.653 38.000 -0.383 0.000 1.155 303 I HN 0.532 nan 8.210 nan 0.000 0.431 304 A N -0.930 121.797 122.820 -0.154 0.000 2.612 304 A HA 0.733 5.053 4.320 0.001 0.000 0.293 304 A C -0.686 176.924 177.584 0.043 0.000 1.075 304 A CA -0.005 52.014 52.037 -0.031 0.000 0.680 304 A CB 0.643 19.629 19.000 -0.023 0.000 1.279 304 A HN 0.108 nan 8.150 nan 0.000 0.411 305 T N -0.971 113.657 114.554 0.122 0.000 2.907 305 T HA 0.900 5.251 4.350 0.001 0.000 0.292 305 T C -0.570 174.256 174.700 0.210 0.000 1.043 305 T CA -0.400 61.769 62.100 0.115 0.000 1.003 305 T CB 1.342 70.269 68.868 0.098 0.000 1.084 305 T HN 1.912 nan 8.240 nan 0.000 0.483 306 F N -1.634 118.270 119.950 -0.077 0.000 2.773 306 F HA 0.896 5.423 4.527 0.001 0.000 0.314 306 F C -0.495 174.980 175.800 -0.541 0.000 1.160 306 F CA -0.662 57.221 58.000 -0.196 0.000 0.920 306 F CB 1.115 40.047 39.000 -0.113 0.000 1.323 306 F HN 1.077 nan 8.300 nan 0.000 0.457 307 G N 0.723 109.186 108.800 -0.561 0.000 2.554 307 G HA2 0.560 4.520 3.960 0.001 0.000 0.306 307 G HA3 0.560 4.520 3.960 0.001 0.000 0.306 307 G C -2.458 172.312 174.900 -0.217 0.000 1.320 307 G CA -0.944 43.658 45.100 -0.829 0.000 0.800 307 G HN 0.647 nan 8.290 nan 0.000 0.481 308 I N 1.075 121.631 120.570 -0.023 0.000 2.406 308 I HA 0.314 4.484 4.170 0.001 0.000 0.290 308 I C -0.164 176.174 176.117 0.369 0.000 0.999 308 I CA -0.862 60.501 61.300 0.105 0.000 1.124 308 I CB 0.999 39.043 38.000 0.072 0.000 1.289 308 I HN 0.525 nan 8.210 nan 0.000 0.441 309 Y N 2.862 123.328 120.300 0.276 0.000 2.683 309 Y HA -0.035 4.516 4.550 0.001 0.000 0.340 309 Y C 1.402 177.430 175.900 0.214 0.000 1.245 309 Y CA 0.046 58.309 58.100 0.271 0.000 1.485 309 Y CB 0.783 39.388 38.460 0.241 0.000 1.328 309 Y HN 0.559 nan 8.280 nan 0.000 0.603 310 S N 3.534 119.444 115.700 0.349 0.000 2.565 310 S HA 0.147 4.618 4.470 0.001 0.000 0.274 310 S C -1.596 173.121 174.600 0.194 0.000 1.309 310 S CA -1.668 56.658 58.200 0.211 0.000 1.043 310 S CB 1.046 64.327 63.200 0.134 0.000 0.939 310 S HN 0.383 nan 8.310 nan 0.000 0.504 311 P HA -0.160 nan 4.420 nan 0.000 0.218 311 P C 1.615 178.973 177.300 0.096 0.000 1.146 311 P CA 1.732 64.903 63.100 0.119 0.000 0.820 311 P CB -0.269 31.480 31.700 0.081 0.000 0.778 312 T N -2.266 112.333 114.554 0.075 0.000 2.595 312 T HA -0.221 4.129 4.350 0.001 0.000 0.264 312 T C 1.941 176.653 174.700 0.020 0.000 1.058 312 T CA 1.625 63.746 62.100 0.036 0.000 1.166 312 T CB -1.404 67.478 68.868 0.024 0.000 0.863 312 T HN 0.032 nan 8.240 nan 0.000 0.415 313 A N 1.826 124.647 122.820 0.001 0.000 1.902 313 A HA 0.090 4.410 4.320 0.001 0.000 0.217 313 A C 2.539 180.175 177.584 0.088 0.000 1.181 313 A CA 1.470 53.439 52.037 -0.114 0.000 0.623 313 A CB -0.946 17.826 19.000 -0.380 0.000 0.818 313 A HN 0.456 nan 8.150 nan 0.000 0.443 314 L N -0.451 120.948 121.223 0.292 0.000 2.042 314 L HA -0.212 4.128 4.340 0.001 0.000 0.210 314 L C 2.994 180.024 176.870 0.267 0.000 1.076 314 L CA 2.120 57.200 54.840 0.400 0.000 0.749 314 L CB -1.734 40.518 42.059 0.321 0.000 0.893 314 L HN 0.466 nan 8.230 nan 0.000 0.432 315 A N -0.827 122.079 122.820 0.144 0.000 1.933 315 A HA -0.170 4.150 4.320 0.001 0.000 0.218 315 A C 2.040 179.645 177.584 0.035 0.000 1.175 315 A CA 1.151 53.232 52.037 0.074 0.000 0.628 315 A CB -0.326 18.694 19.000 0.033 0.000 0.814 315 A HN 0.400 nan 8.150 nan 0.000 0.444 316 E N -0.986 119.208 120.200 -0.009 0.000 2.267 316 E HA -0.185 4.166 4.350 0.001 0.000 0.197 316 E C 0.446 176.861 176.600 -0.309 0.000 0.998 316 E CA 1.167 57.446 56.400 -0.202 0.000 0.830 316 E CB -0.283 29.212 29.700 -0.342 0.000 0.751 316 E HN 0.882 nan 8.360 nan 0.000 0.491 317 Y N -0.411 119.919 120.300 0.049 0.000 2.612 317 Y HA 0.156 4.707 4.550 0.001 0.000 0.250 317 Y C 0.160 176.097 175.900 0.062 0.000 1.175 317 Y CA -0.435 57.714 58.100 0.080 0.000 1.205 317 Y CB 0.724 39.283 38.460 0.165 0.000 1.201 317 Y HN -0.173 nan 8.280 nan 0.000 0.532 318 D N 0.262 120.751 120.400 0.148 0.000 3.090 318 D HA -0.197 4.443 4.640 0.001 0.000 0.215 318 D C -0.370 175.988 176.300 0.096 0.000 1.140 318 D CA 0.644 54.696 54.000 0.087 0.000 0.937 318 D CB -1.223 39.609 40.800 0.053 0.000 1.108 318 D HN 0.343 nan 8.370 nan 0.000 0.420 319 I N 1.689 122.353 120.570 0.157 0.000 2.347 319 I HA 0.078 4.248 4.170 0.001 0.000 0.294 319 I C -0.718 175.434 176.117 0.057 0.000 1.090 319 I CA -1.357 60.031 61.300 0.146 0.000 1.314 319 I CB 1.007 39.143 38.000 0.228 0.000 1.423 319 I HN -0.131 nan 8.210 nan 0.000 0.503 320 P HA -0.117 nan 4.420 nan 0.000 0.221 320 P C -0.205 176.862 177.300 -0.389 0.000 1.150 320 P CA 1.264 64.164 63.100 -0.333 0.000 0.800 320 P CB 0.143 31.470 31.700 -0.622 0.000 0.787 321 Y N 0.802 121.138 120.300 0.060 0.000 2.457 321 Y HA 0.455 5.005 4.550 0.001 0.000 0.333 321 Y C -1.703 174.230 175.900 0.055 0.000 1.119 321 Y CA -3.278 54.849 58.100 0.045 0.000 1.143 321 Y CB -0.237 38.235 38.460 0.020 0.000 1.230 321 Y HN -0.160 nan 8.280 nan 0.000 0.469 322 P HA 0.069 nan 4.420 nan 0.000 0.270 322 P C -0.945 176.407 177.300 0.086 0.000 1.227 322 P CA 0.050 63.232 63.100 0.136 0.000 0.788 322 P CB 1.155 32.913 31.700 0.097 0.000 0.926 323 V N 2.178 122.107 119.914 0.025 0.000 2.711 323 V HA 0.269 4.390 4.120 0.001 0.000 0.304 323 V C -0.060 175.878 176.094 -0.260 0.000 1.097 323 V CA -0.572 61.651 62.300 -0.128 0.000 0.906 323 V CB 2.003 33.730 31.823 -0.160 0.000 1.015 323 V HN 0.579 nan 8.190 nan 0.000 0.427 324 M N 5.216 124.666 119.600 -0.250 0.000 2.238 324 M HA 0.482 4.963 4.480 0.001 0.000 0.350 324 M C -0.611 175.493 176.300 -0.327 0.000 1.138 324 M CA 0.055 55.224 55.300 -0.218 0.000 1.040 324 M CB 0.833 33.357 32.600 -0.128 0.000 1.639 324 M HN 0.900 nan 8.290 nan 0.000 0.451 325 N N 6.020 124.547 118.700 -0.290 0.000 2.399 325 N HA 0.393 5.134 4.740 0.001 0.000 0.284 325 N C -2.146 173.384 175.510 0.034 0.000 1.025 325 N CA -0.600 52.299 53.050 -0.252 0.000 0.885 325 N CB 1.676 39.918 38.487 -0.408 0.000 1.339 325 N HN 0.657 nan 8.380 nan 0.000 0.487 326 L N 3.394 124.636 121.223 0.032 0.000 2.362 326 L HA 0.774 5.114 4.340 0.001 0.000 0.275 326 L C -0.827 176.147 176.870 0.173 0.000 0.998 326 L CA -0.213 54.704 54.840 0.128 0.000 0.820 326 L CB 1.011 43.052 42.059 -0.030 0.000 1.270 326 L HN 0.774 nan 8.230 nan 0.000 0.415 327 G N 5.493 114.431 108.800 0.230 0.000 2.732 327 G HA2 0.569 4.529 3.960 0.001 0.000 0.295 327 G HA3 0.569 4.529 3.960 0.001 0.000 0.295 327 G C -1.651 173.374 174.900 0.210 0.000 1.456 327 G CA -0.473 44.778 45.100 0.251 0.000 1.050 327 G HN 0.648 nan 8.290 nan 0.000 0.525 328 L N 0.953 122.287 121.223 0.186 0.000 2.354 328 L HA 0.975 5.316 4.340 0.001 0.000 0.269 328 L C 0.304 177.260 176.870 0.142 0.000 1.005 328 L CA -1.343 53.563 54.840 0.111 0.000 0.819 328 L CB 1.943 44.004 42.059 0.003 0.000 1.311 328 L HN 0.555 nan 8.230 nan 0.000 0.423 329 G N 1.585 110.454 108.800 0.115 0.000 2.351 329 G HA2 0.457 4.417 3.960 0.001 0.000 0.287 329 G HA3 0.457 4.417 3.960 0.001 0.000 0.287 329 G C 0.654 175.614 174.900 0.100 0.000 1.159 329 G CA -0.287 44.908 45.100 0.158 0.000 0.929 329 G HN 0.680 nan 8.290 nan 0.000 0.435 330 V N 3.134 123.132 119.914 0.140 0.000 2.223 330 V HA -0.171 3.950 4.120 0.001 0.000 0.244 330 V C 2.703 178.821 176.094 0.039 0.000 1.045 330 V CA 2.227 64.568 62.300 0.069 0.000 1.000 330 V CB -0.720 31.153 31.823 0.083 0.000 0.635 330 V HN 0.708 nan 8.190 nan 0.000 0.445 331 E N -0.002 120.243 120.200 0.075 0.000 2.164 331 E HA -0.316 4.034 4.350 0.001 0.000 0.206 331 E C 2.224 178.837 176.600 0.023 0.000 1.032 331 E CA 2.267 58.687 56.400 0.034 0.000 0.832 331 E CB -0.439 29.304 29.700 0.072 0.000 0.742 331 E HN 0.556 nan 8.360 nan 0.000 0.460 332 R N 0.298 120.817 120.500 0.033 0.000 2.062 332 R HA -0.078 4.262 4.340 0.001 0.000 0.231 332 R C 2.373 178.676 176.300 0.005 0.000 1.136 332 R CA 1.248 57.357 56.100 0.016 0.000 0.948 332 R CB -0.498 29.802 30.300 0.000 0.000 0.845 332 R HN 0.235 nan 8.270 nan 0.000 0.430 333 L N 0.557 121.775 121.223 -0.008 0.000 2.013 333 L HA -0.225 4.115 4.340 0.001 0.000 0.212 333 L C 2.589 179.479 176.870 0.035 0.000 1.073 333 L CA 1.755 56.592 54.840 -0.007 0.000 0.753 333 L CB -0.647 41.343 42.059 -0.115 0.000 0.890 333 L HN 0.494 nan 8.230 nan 0.000 0.432 334 A N -0.277 122.573 122.820 0.049 0.000 1.892 334 A HA -0.312 4.008 4.320 0.001 0.000 0.218 334 A C 2.187 179.882 177.584 0.184 0.000 1.188 334 A CA 2.334 54.453 52.037 0.136 0.000 0.631 334 A CB -0.580 18.426 19.000 0.010 0.000 0.822 334 A HN 0.480 nan 8.150 nan 0.000 0.447 335 M N -0.753 118.907 119.600 0.098 0.000 2.108 335 M HA -0.136 4.344 4.480 0.001 0.000 0.261 335 M C 2.135 178.516 176.300 0.135 0.000 1.066 335 M CA 1.651 57.048 55.300 0.162 0.000 1.107 335 M CB -0.582 32.090 32.600 0.119 0.000 1.356 335 M HN 0.410 nan 8.290 nan 0.000 0.406 336 I N 0.217 120.805 120.570 0.030 0.000 2.179 336 I HA -0.298 3.872 4.170 0.001 0.000 0.242 336 I C 2.313 178.338 176.117 -0.154 0.000 1.088 336 I CA 1.345 62.591 61.300 -0.091 0.000 1.357 336 I CB -0.438 37.480 38.000 -0.136 0.000 1.051 336 I HN 0.303 nan 8.210 nan 0.000 0.409 337 L N -0.582 120.586 121.223 -0.092 0.000 2.046 337 L HA -0.215 4.125 4.340 0.001 0.000 0.208 337 L C 1.735 178.375 176.870 -0.383 0.000 1.077 337 L CA 1.641 56.341 54.840 -0.234 0.000 0.747 337 L CB -0.516 41.453 42.059 -0.150 0.000 0.896 337 L HN 0.267 nan 8.230 nan 0.000 0.432 338 Y N -0.443 119.897 120.300 0.066 0.000 2.555 338 Y HA 0.340 4.891 4.550 0.001 0.000 0.259 338 Y C 1.381 177.320 175.900 0.065 0.000 1.179 338 Y CA -0.092 58.073 58.100 0.109 0.000 1.230 338 Y CB 0.044 38.643 38.460 0.233 0.000 1.146 338 Y HN 0.193 nan 8.280 nan 0.000 0.526 339 G N 0.456 109.319 108.800 0.106 0.000 2.351 339 G HA2 -0.327 3.634 3.960 0.001 0.000 0.297 339 G HA3 -0.327 3.634 3.960 0.001 0.000 0.297 339 G C -0.761 174.127 174.900 -0.020 0.000 1.054 339 G CA -0.219 44.889 45.100 0.013 0.000 1.123 339 G HN 0.361 nan 8.290 nan 0.000 0.512 340 Y N -0.430 119.897 120.300 0.044 0.000 2.409 340 Y HA 0.468 5.018 4.550 0.001 0.000 0.339 340 Y C 1.157 177.092 175.900 0.057 0.000 1.033 340 Y CA -0.886 57.243 58.100 0.049 0.000 1.094 340 Y CB 1.663 40.150 38.460 0.045 0.000 1.210 340 Y HN 0.144 nan 8.280 nan 0.000 0.456 341 D N -0.069 120.451 120.400 0.200 0.000 2.262 341 D HA -0.048 4.593 4.640 0.001 0.000 0.212 341 D C -0.204 176.194 176.300 0.163 0.000 0.964 341 D CA 1.036 55.130 54.000 0.156 0.000 0.875 341 D CB 0.252 41.116 40.800 0.106 0.000 0.996 341 D HN 0.445 nan 8.370 nan 0.000 0.497 342 D N 0.528 121.036 120.400 0.179 0.000 2.414 342 D HA 0.127 4.768 4.640 0.001 0.000 0.232 342 D C 1.408 177.805 176.300 0.161 0.000 1.070 342 D CA -0.488 53.604 54.000 0.154 0.000 0.839 342 D CB 1.689 42.571 40.800 0.135 0.000 1.079 342 D HN -0.313 nan 8.370 nan 0.000 0.521 343 V N 5.626 125.615 119.914 0.125 0.000 2.223 343 V HA -0.381 3.739 4.120 0.001 0.000 0.253 343 V C 2.486 178.643 176.094 0.104 0.000 1.061 343 V CA 2.192 64.544 62.300 0.087 0.000 1.035 343 V CB -0.616 31.259 31.823 0.088 0.000 0.653 343 V HN 0.665 nan 8.190 nan 0.000 0.454 344 R N 0.052 120.666 120.500 0.189 0.000 2.140 344 R HA -0.250 4.090 4.340 0.001 0.000 0.250 344 R C 2.283 178.819 176.300 0.392 0.000 1.150 344 R CA 1.999 58.307 56.100 0.348 0.000 0.966 344 R CB -0.498 30.062 30.300 0.433 0.000 0.869 344 R HN 0.548 nan 8.270 nan 0.000 0.445 345 K N 0.108 120.729 120.400 0.369 0.000 2.442 345 K HA -0.066 4.255 4.320 0.001 0.000 0.198 345 K C 1.978 178.709 176.600 0.218 0.000 1.042 345 K CA 0.766 57.269 56.287 0.359 0.000 0.958 345 K CB 0.024 32.710 32.500 0.309 0.000 0.766 345 K HN 0.270 nan 8.250 nan 0.000 0.474 346 M N 0.254 119.865 119.600 0.018 0.000 2.257 346 M HA -0.092 4.388 4.480 0.001 0.000 0.260 346 M C 2.138 178.175 176.300 -0.440 0.000 1.102 346 M CA 1.261 56.233 55.300 -0.547 0.000 1.169 346 M CB 0.064 32.181 32.600 -0.805 0.000 1.323 346 M HN 0.035 nan 8.290 nan 0.000 0.447 347 V N -0.414 119.342 119.914 -0.263 0.000 2.488 347 V HA -0.156 3.965 4.120 0.001 0.000 0.246 347 V C 0.439 176.310 176.094 -0.372 0.000 1.046 347 V CA 1.251 63.392 62.300 -0.264 0.000 1.053 347 V CB -0.700 30.819 31.823 -0.507 0.000 0.679 347 V HN 0.574 nan 8.190 nan 0.000 0.458 348 Y N 1.513 121.780 120.300 -0.055 0.000 2.781 348 Y HA 0.467 5.018 4.550 0.001 0.000 0.326 348 Y C -1.306 174.458 175.900 -0.227 0.000 1.019 348 Y CA -2.507 55.493 58.100 -0.166 0.000 1.372 348 Y CB -0.126 38.150 38.460 -0.308 0.000 1.260 348 Y HN 0.305 nan 8.280 nan 0.000 0.546 349 P HA -0.254 nan 4.420 nan 0.000 0.217 349 P C 0.985 178.316 177.300 0.051 0.000 1.151 349 P CA 1.555 64.695 63.100 0.066 0.000 0.849 349 P CB 0.629 32.376 31.700 0.077 0.000 0.787 350 Q N 0.077 119.896 119.800 0.032 0.000 1.998 350 Q HA -0.166 4.175 4.340 0.001 0.000 0.209 350 Q C 2.467 178.464 176.000 -0.004 0.000 1.002 350 Q CA 1.684 57.495 55.803 0.014 0.000 0.858 350 Q CB -1.303 27.447 28.738 0.019 0.000 0.932 350 Q HN 0.295 nan 8.270 nan 0.000 0.416 351 I N -0.074 120.469 120.570 -0.045 0.000 2.127 351 I HA -0.256 3.914 4.170 0.001 0.000 0.241 351 I C 0.906 177.101 176.117 0.130 0.000 1.075 351 I CA 1.087 62.368 61.300 -0.033 0.000 1.334 351 I CB -0.444 37.467 38.000 -0.148 0.000 1.040 351 I HN 0.334 nan 8.210 nan 0.000 0.405 352 H N 1.706 120.857 119.070 0.135 0.000 3.109 352 H HA 0.192 4.748 4.556 0.001 0.000 0.298 352 H C 1.023 176.480 175.328 0.214 0.000 1.248 352 H CA -0.167 55.976 56.048 0.159 0.000 1.204 352 H CB -1.526 28.323 29.762 0.146 0.000 1.367 352 H HN 0.364 nan 8.280 nan 0.000 0.592 353 G N 1.929 110.932 108.800 0.339 0.000 2.142 353 G HA2 -0.288 3.672 3.960 0.001 0.000 0.255 353 G HA3 -0.288 3.672 3.960 0.001 0.000 0.255 353 G C 0.628 175.772 174.900 0.407 0.000 0.803 353 G CA 0.258 45.615 45.100 0.429 0.000 1.195 353 G HN 0.435 nan 8.290 nan 0.000 0.366 354 E N -0.002 120.355 120.200 0.261 0.000 2.562 354 E HA 0.055 4.406 4.350 0.001 0.000 0.214 354 E C 1.919 178.638 176.600 0.198 0.000 0.979 354 E CA -0.160 56.377 56.400 0.228 0.000 1.002 354 E CB 0.114 29.932 29.700 0.197 0.000 1.048 354 E HN 0.932 nan 8.360 nan 0.000 0.488 355 I N 0.500 121.177 120.570 0.177 0.000 3.087 355 I HA -0.015 4.155 4.170 0.001 0.000 0.318 355 I C 0.092 176.372 176.117 0.271 0.000 1.209 355 I CA 0.425 61.821 61.300 0.160 0.000 1.460 355 I CB 0.130 38.202 38.000 0.121 0.000 1.306 355 I HN -0.255 nan 8.210 nan 0.000 0.560 356 K N 6.146 126.656 120.400 0.183 0.000 2.546 356 K HA 0.735 5.056 4.320 0.001 0.000 0.264 356 K C -1.873 174.736 176.600 0.015 0.000 0.937 356 K CA -0.678 55.738 56.287 0.215 0.000 0.833 356 K CB 1.713 34.301 32.500 0.148 0.000 1.378 356 K HN 0.769 nan 8.250 nan 0.000 0.432 357 L N 2.386 123.607 121.223 -0.003 0.000 2.401 357 L HA 0.562 4.902 4.340 0.001 0.000 0.266 357 L C -0.059 176.798 176.870 -0.021 0.000 0.991 357 L CA -1.286 53.458 54.840 -0.159 0.000 0.818 357 L CB 2.135 43.913 42.059 -0.469 0.000 1.321 357 L HN 0.896 nan 8.230 nan 0.000 0.413 358 S N -0.744 114.935 115.700 -0.036 0.000 2.614 358 S HA 0.146 4.617 4.470 0.001 0.000 0.265 358 S C 0.438 175.034 174.600 -0.008 0.000 1.303 358 S CA -0.565 57.635 58.200 -0.001 0.000 1.000 358 S CB 1.293 64.493 63.200 0.001 0.000 0.935 358 S HN 0.615 nan 8.310 nan 0.000 0.551 359 D N 0.351 120.754 120.400 0.006 0.000 2.117 359 D HA -0.091 4.549 4.640 0.001 0.000 0.197 359 D C 1.772 178.046 176.300 -0.044 0.000 0.987 359 D CA 0.866 54.861 54.000 -0.008 0.000 0.829 359 D CB -0.476 40.322 40.800 -0.004 0.000 0.961 359 D HN 0.430 nan 8.370 nan 0.000 0.460 360 L N 1.317 122.516 121.223 -0.040 0.000 2.042 360 L HA -0.173 4.168 4.340 0.001 0.000 0.210 360 L C 1.527 178.346 176.870 -0.086 0.000 1.076 360 L CA 1.847 56.651 54.840 -0.060 0.000 0.749 360 L CB -0.546 41.504 42.059 -0.014 0.000 0.893 360 L HN -0.103 nan 8.230 nan 0.000 0.432 361 D N -0.480 119.875 120.400 -0.074 0.000 2.097 361 D HA -0.179 4.462 4.640 0.001 0.000 0.195 361 D C 2.346 178.572 176.300 -0.123 0.000 0.989 361 D CA 1.812 55.750 54.000 -0.104 0.000 0.827 361 D CB -0.058 40.669 40.800 -0.122 0.000 0.966 361 D HN 0.427 nan 8.370 nan 0.000 0.456 362 I N 1.371 121.879 120.570 -0.104 0.000 2.264 362 I HA -0.275 3.895 4.170 0.001 0.000 0.248 362 I C 2.531 178.585 176.117 -0.106 0.000 1.111 362 I CA 0.846 62.091 61.300 -0.091 0.000 1.382 362 I CB -0.202 37.776 38.000 -0.037 0.000 1.060 362 I HN -0.082 nan 8.210 nan 0.000 0.418 363 A N 0.880 123.632 122.820 -0.114 0.000 1.841 363 A HA -0.290 4.031 4.320 0.001 0.000 0.216 363 A C 2.418 179.904 177.584 -0.164 0.000 1.199 363 A CA 1.997 53.951 52.037 -0.138 0.000 0.621 363 A CB -0.855 18.051 19.000 -0.156 0.000 0.835 363 A HN 0.323 nan 8.150 nan 0.000 0.445 364 R N -0.472 119.919 120.500 -0.183 0.000 2.174 364 R HA -0.205 4.135 4.340 0.001 0.000 0.253 364 R C 1.571 177.769 176.300 -0.170 0.000 1.165 364 R CA 1.828 57.815 56.100 -0.189 0.000 0.984 364 R CB -0.212 29.988 30.300 -0.166 0.000 0.873 364 R HN 0.570 nan 8.270 nan 0.000 0.456 365 E N 0.010 120.113 120.200 -0.163 0.000 2.427 365 E HA -0.034 4.316 4.350 0.001 0.000 0.196 365 E C 0.379 176.844 176.600 -0.225 0.000 1.028 365 E CA 0.438 56.732 56.400 -0.177 0.000 0.864 365 E CB 0.144 29.757 29.700 -0.145 0.000 0.813 365 E HN 0.427 nan 8.360 nan 0.000 0.514 366 I N 2.498 122.953 120.570 -0.191 0.000 2.308 366 I HA 0.056 4.227 4.170 0.001 0.000 0.293 366 I C 0.320 176.325 176.117 -0.187 0.000 1.078 366 I CA 0.147 61.334 61.300 -0.188 0.000 1.292 366 I CB 0.335 38.262 38.000 -0.123 0.000 1.423 366 I HN -0.303 nan 8.210 nan 0.000 0.493 367 K N 4.548 124.779 120.400 -0.282 0.000 2.350 367 K HA 0.606 4.927 4.320 0.001 0.000 0.241 367 K C -0.876 175.804 176.600 0.134 0.000 0.994 367 K CA -0.948 55.255 56.287 -0.139 0.000 0.839 367 K CB 2.654 35.024 32.500 -0.216 0.000 1.244 367 K HN 0.138 nan 8.250 nan 0.000 0.443 368 V N 2.480 122.500 119.914 0.177 0.000 2.715 368 V HA -0.011 4.110 4.120 0.001 0.000 0.299 368 V C 1.212 177.470 176.094 0.273 0.000 1.054 368 V CA 0.191 62.615 62.300 0.206 0.000 1.077 368 V CB 1.181 33.047 31.823 0.071 0.000 0.972 368 V HN 0.727 nan 8.190 nan 0.000 0.484 369 K N 2.951 123.445 120.400 0.158 0.000 2.128 369 K HA 0.107 4.428 4.320 0.001 0.000 0.202 369 K C 0.529 177.067 176.600 -0.104 0.000 1.050 369 K CA 1.253 57.466 56.287 -0.123 0.000 0.966 369 K CB 0.279 32.689 32.500 -0.149 0.000 0.759 369 K HN 0.762 nan 8.250 nan 0.000 0.454 370 E N 0.465 120.653 120.200 -0.019 0.000 2.220 370 E HA 0.298 4.649 4.350 0.001 0.000 0.256 370 E C -1.533 175.042 176.600 -0.041 0.000 0.881 370 E CA -0.673 55.686 56.400 -0.068 0.000 0.766 370 E CB 2.314 31.929 29.700 -0.142 0.000 1.187 370 E HN -0.156 nan 8.360 nan 0.000 0.419 371 V N 4.035 123.900 119.914 -0.082 0.000 2.555 371 V HA 0.326 4.447 4.120 0.001 0.000 0.302 371 V C -2.288 173.749 176.094 -0.094 0.000 1.038 371 V CA -2.468 59.759 62.300 -0.121 0.000 0.887 371 V CB 1.690 33.393 31.823 -0.200 0.000 0.991 371 V HN 0.570 nan 8.190 nan 0.000 0.434 372 P HA -0.001 nan 4.420 nan 0.000 0.260 372 P C 0.161 177.425 177.300 -0.060 0.000 1.172 372 P CA 0.482 63.554 63.100 -0.047 0.000 0.760 372 P CB 0.562 32.254 31.700 -0.013 0.000 0.773 373 Q N 2.199 121.968 119.800 -0.052 0.000 2.163 373 Q HA -0.029 4.311 4.340 0.001 0.000 0.198 373 Q C 0.619 176.598 176.000 -0.036 0.000 0.954 373 Q CA 1.111 56.886 55.803 -0.046 0.000 0.851 373 Q CB -0.388 28.325 28.738 -0.042 0.000 0.928 373 Q HN 0.592 nan 8.270 nan 0.000 0.459 374 T N -2.881 111.655 114.554 -0.029 0.000 2.904 374 T HA 0.506 4.857 4.350 0.001 0.000 0.290 374 T C 1.075 175.761 174.700 -0.024 0.000 1.018 374 T CA -0.114 61.973 62.100 -0.020 0.000 1.075 374 T CB 1.510 70.372 68.868 -0.011 0.000 0.986 374 T HN 0.155 nan 8.240 nan 0.000 0.523 375 A N 1.789 124.598 122.820 -0.017 0.000 2.019 375 A HA 0.062 4.382 4.320 0.001 0.000 0.219 375 A C 2.211 179.778 177.584 -0.029 0.000 1.164 375 A CA 1.244 53.269 52.037 -0.020 0.000 0.644 375 A CB -0.999 17.996 19.000 -0.009 0.000 0.805 375 A HN 0.755 nan 8.150 nan 0.000 0.449 376 V N -0.166 119.736 119.914 -0.020 0.000 2.323 376 V HA -0.130 3.990 4.120 0.001 0.000 0.244 376 V C 2.871 178.908 176.094 -0.095 0.000 1.041 376 V CA 1.706 63.986 62.300 -0.033 0.000 1.025 376 V CB -1.648 30.193 31.823 0.031 0.000 0.656 376 V HN 0.557 nan 8.190 nan 0.000 0.451 377 G N 0.517 109.283 108.800 -0.057 0.000 2.547 377 G HA2 -0.279 3.681 3.960 0.001 0.000 0.221 377 G HA3 -0.279 3.681 3.960 0.001 0.000 0.221 377 G C 1.524 176.383 174.900 -0.069 0.000 1.140 377 G CA 1.517 46.581 45.100 -0.060 0.000 0.760 377 G HN 0.447 nan 8.290 nan 0.000 0.583 378 L N 0.924 122.117 121.223 -0.049 0.000 1.943 378 L HA -0.146 4.195 4.340 0.001 0.000 0.215 378 L C 2.998 179.822 176.870 -0.078 0.000 1.074 378 L CA 2.160 56.993 54.840 -0.011 0.000 0.759 378 L CB -0.677 41.373 42.059 -0.016 0.000 0.888 378 L HN 0.382 nan 8.230 nan 0.000 0.433 379 K N 0.219 120.532 120.400 -0.146 0.000 2.442 379 K HA -0.150 4.171 4.320 0.001 0.000 0.200 379 K C 1.690 177.997 176.600 -0.489 0.000 1.045 379 K CA 1.344 57.487 56.287 -0.240 0.000 0.937 379 K CB -0.328 32.044 32.500 -0.212 0.000 0.757 379 K HN 0.392 nan 8.250 nan 0.000 0.474 380 I N 1.562 121.833 120.570 -0.498 0.000 2.272 380 I HA -0.134 4.037 4.170 0.001 0.000 0.235 380 I C 2.660 178.616 176.117 -0.269 0.000 1.071 380 I CA 0.856 61.797 61.300 -0.598 0.000 1.374 380 I CB -0.524 37.262 38.000 -0.357 0.000 1.121 380 I HN 0.221 nan 8.210 nan 0.000 0.420 381 A N 0.293 123.023 122.820 -0.151 0.000 1.948 381 A HA -0.333 3.987 4.320 0.001 0.000 0.220 381 A C 2.258 179.763 177.584 -0.131 0.000 1.177 381 A CA 2.259 54.222 52.037 -0.124 0.000 0.636 381 A CB -0.952 17.995 19.000 -0.088 0.000 0.815 381 A HN 0.584 nan 8.150 nan 0.000 0.449 382 Q N 0.407 120.146 119.800 -0.101 0.000 2.077 382 Q HA -0.241 4.100 4.340 0.001 0.000 0.206 382 Q C 2.271 178.234 176.000 -0.061 0.000 0.989 382 Q CA 2.914 58.676 55.803 -0.068 0.000 0.853 382 Q CB -0.257 28.453 28.738 -0.046 0.000 0.907 382 Q HN 0.817 nan 8.270 nan 0.000 0.418 383 S N 0.152 115.803 115.700 -0.082 0.000 2.355 383 S HA -0.156 4.315 4.470 0.001 0.000 0.222 383 S C 1.969 176.579 174.600 0.017 0.000 1.031 383 S CA 1.193 59.383 58.200 -0.016 0.000 0.993 383 S CB -0.825 62.383 63.200 0.014 0.000 0.859 383 S HN 0.507 nan 8.310 nan 0.000 0.453 384 I N 1.533 122.104 120.570 0.001 0.000 2.227 384 I HA -0.229 3.942 4.170 0.001 0.000 0.250 384 I C 2.403 178.555 176.117 0.059 0.000 1.087 384 I CA 1.431 62.755 61.300 0.039 0.000 1.352 384 I CB -0.627 37.370 38.000 -0.005 0.000 1.043 384 I HN 0.253 nan 8.210 nan 0.000 0.425 385 V N 0.241 120.168 119.914 0.022 0.000 2.302 385 V HA -0.216 3.905 4.120 0.001 0.000 0.243 385 V C 2.469 178.599 176.094 0.061 0.000 1.036 385 V CA 1.891 64.222 62.300 0.052 0.000 1.020 385 V CB -0.535 31.290 31.823 0.004 0.000 0.657 385 V HN 0.373 nan 8.190 nan 0.000 0.453 386 E N 1.220 121.439 120.200 0.031 0.000 2.169 386 E HA -0.276 4.075 4.350 0.001 0.000 0.202 386 E C 2.118 178.718 176.600 0.001 0.000 1.016 386 E CA 2.548 58.959 56.400 0.018 0.000 0.817 386 E CB -0.521 29.188 29.700 0.015 0.000 0.736 386 E HN 0.804 nan 8.360 nan 0.000 0.462 387 T N -1.813 112.760 114.554 0.031 0.000 2.643 387 T HA -0.016 4.334 4.350 0.001 0.000 0.256 387 T C 2.067 176.758 174.700 -0.016 0.000 1.061 387 T CA 1.542 63.660 62.100 0.029 0.000 1.163 387 T CB -1.066 67.881 68.868 0.132 0.000 0.865 387 T HN 0.221 nan 8.240 nan 0.000 0.407 388 A N 1.655 124.501 122.820 0.043 0.000 2.245 388 A HA -0.134 4.186 4.320 0.001 0.000 0.217 388 A C 2.194 179.736 177.584 -0.069 0.000 1.171 388 A CA 1.616 53.642 52.037 -0.018 0.000 0.688 388 A CB -0.878 18.150 19.000 0.047 0.000 0.781 388 A HN 0.764 nan 8.150 nan 0.000 0.479 389 E N -0.304 119.923 120.200 0.045 0.000 2.112 389 E HA -0.160 4.191 4.350 0.001 0.000 0.190 389 E C 1.938 178.535 176.600 -0.005 0.000 0.979 389 E CA 1.404 57.894 56.400 0.149 0.000 0.814 389 E CB -0.056 29.701 29.700 0.096 0.000 0.762 389 E HN 0.906 nan 8.360 nan 0.000 0.460 390 K N -0.719 119.567 120.400 -0.190 0.000 2.370 390 K HA 0.100 4.420 4.320 0.001 0.000 0.194 390 K C 1.146 177.502 176.600 -0.407 0.000 1.070 390 K CA 0.379 56.475 56.287 -0.318 0.000 0.998 390 K CB 0.296 32.520 32.500 -0.459 0.000 0.911 390 K HN 0.048 nan 8.250 nan 0.000 0.533 391 H N 0.784 119.708 119.070 -0.244 0.000 2.505 391 H HA 0.328 4.884 4.556 0.001 0.000 0.289 391 H C 0.459 175.694 175.328 -0.155 0.000 1.052 391 H CA 0.041 55.911 56.048 -0.297 0.000 1.156 391 H CB 0.853 30.206 29.762 -0.683 0.000 1.507 391 H HN 0.307 nan 8.280 nan 0.000 0.548 392 A N 0.286 123.020 122.820 -0.144 0.000 2.346 392 A HA 0.177 4.497 4.320 0.001 0.000 0.242 392 A C 1.192 178.703 177.584 -0.122 0.000 1.323 392 A CA 0.249 52.132 52.037 -0.258 0.000 0.940 392 A CB -0.041 18.487 19.000 -0.786 0.000 0.943 392 A HN 0.202 nan 8.150 nan 0.000 0.501 393 S N -0.796 114.898 115.700 -0.011 0.000 3.249 393 S HA 0.094 4.564 4.470 0.001 0.000 0.237 393 S C 0.249 174.891 174.600 0.070 0.000 1.007 393 S CA -0.482 57.735 58.200 0.027 0.000 0.811 393 S CB -0.209 63.012 63.200 0.035 0.000 0.832 393 S HN 0.567 nan 8.310 nan 0.000 0.573 394 E N 3.071 123.350 120.200 0.132 0.000 3.231 394 E HA -0.055 4.295 4.350 0.001 0.000 0.271 394 E C -2.584 174.070 176.600 0.090 0.000 0.877 394 E CA -0.101 56.389 56.400 0.149 0.000 0.973 394 E CB -0.341 29.532 29.700 0.289 0.000 0.922 394 E HN 0.199 nan 8.360 nan 0.000 0.532 395 P HA 0.033 nan 4.420 nan 0.000 0.271 395 P C -0.611 176.695 177.300 0.010 0.000 1.216 395 P CA 0.205 63.322 63.100 0.028 0.000 0.776 395 P CB 0.803 32.514 31.700 0.018 0.000 0.881 396 S N 3.876 119.577 115.700 0.002 0.000 2.654 396 S HA 0.490 4.961 4.470 0.001 0.000 0.283 396 S C -2.318 172.264 174.600 -0.030 0.000 1.180 396 S CA -1.237 56.952 58.200 -0.018 0.000 1.021 396 S CB 0.230 63.420 63.200 -0.017 0.000 1.018 396 S HN 0.321 nan 8.310 nan 0.000 0.532 397 P HA 0.322 nan 4.420 nan 0.000 0.271 397 P C -0.720 176.535 177.300 -0.075 0.000 1.216 397 P CA -0.256 62.809 63.100 -0.057 0.000 0.776 397 P CB 0.138 31.801 31.700 -0.062 0.000 0.881 398 C N -0.416 118.828 119.300 -0.093 0.000 3.259 398 C HA 0.869 5.330 4.460 0.001 0.000 0.344 398 C C -0.963 173.913 174.990 -0.190 0.000 1.401 398 C CA -0.707 58.215 59.018 -0.160 0.000 1.219 398 C CB 1.252 28.907 27.740 -0.141 0.000 1.521 398 C HN 0.540 nan 8.230 nan 0.000 0.455 399 S N -0.389 115.099 115.700 -0.353 0.000 2.537 399 S HA 0.870 5.340 4.470 0.001 0.000 0.270 399 S C -2.154 172.136 174.600 -0.518 0.000 1.142 399 S CA -0.251 57.777 58.200 -0.288 0.000 0.870 399 S CB 1.242 64.296 63.200 -0.243 0.000 1.112 399 S HN 0.817 nan 8.310 nan 0.000 0.466 400 F N 2.460 122.434 119.950 0.039 0.000 2.573 400 F HA 0.502 5.029 4.527 0.001 0.000 0.316 400 F C -0.579 175.328 175.800 0.179 0.000 1.148 400 F CA -0.704 57.318 58.000 0.036 0.000 0.940 400 F CB 1.718 40.672 39.000 -0.077 0.000 1.214 400 F HN 0.485 nan 8.300 nan 0.000 0.448 401 L N 3.512 124.953 121.223 0.363 0.000 2.360 401 L HA 0.604 4.944 4.340 0.001 0.000 0.276 401 L C 0.517 177.491 176.870 0.173 0.000 1.121 401 L CA 0.504 55.471 54.840 0.212 0.000 0.845 401 L CB 0.867 43.001 42.059 0.124 0.000 1.143 401 L HN 0.797 nan 8.230 nan 0.000 0.452 402 A N 5.331 128.222 122.820 0.118 0.000 1.944 402 A HA 0.268 4.588 4.320 0.001 0.000 0.209 402 A C 0.327 178.029 177.584 0.196 0.000 1.328 402 A CA 0.232 52.363 52.037 0.156 0.000 0.693 402 A CB -0.164 18.930 19.000 0.157 0.000 0.994 402 A HN 0.610 nan 8.150 nan 0.000 0.485 403 F N -0.584 119.339 119.950 -0.046 0.000 2.576 403 F HA 0.607 5.135 4.527 0.001 0.000 0.313 403 F C -0.884 174.866 175.800 -0.084 0.000 1.078 403 F CA -0.749 57.222 58.000 -0.047 0.000 0.921 403 F CB 1.698 40.678 39.000 -0.032 0.000 1.232 403 F HN 0.181 nan 8.300 nan 0.000 0.459 404 E N 3.775 123.327 120.200 -1.080 0.000 2.281 404 E HA 0.607 4.957 4.350 0.001 0.000 0.266 404 E C -1.182 174.781 176.600 -1.062 0.000 0.893 404 E CA -0.619 55.297 56.400 -0.808 0.000 0.798 404 E CB 1.702 31.160 29.700 -0.403 0.000 1.245 404 E HN 0.998 nan 8.360 nan 0.000 0.410 405 G N 2.939 111.294 108.800 -0.742 0.000 2.441 405 G HA2 0.272 4.232 3.960 0.001 0.000 0.294 405 G HA3 0.272 4.232 3.960 0.001 0.000 0.294 405 G C -1.580 173.253 174.900 -0.111 0.000 1.393 405 G CA -0.768 44.094 45.100 -0.396 0.000 0.796 405 G HN 0.545 nan 8.290 nan 0.000 0.494 406 E N -1.147 119.044 120.200 -0.015 0.000 2.179 406 E HA 0.676 5.027 4.350 0.001 0.000 0.275 406 E C -0.152 176.486 176.600 0.063 0.000 0.945 406 E CA -0.925 55.486 56.400 0.018 0.000 0.792 406 E CB 1.843 31.545 29.700 0.004 0.000 1.125 406 E HN 0.761 nan 8.360 nan 0.000 0.397 407 M N 2.835 122.468 119.600 0.056 0.000 2.263 407 M HA 0.400 4.881 4.480 0.001 0.000 0.295 407 M C -0.076 176.244 176.300 0.032 0.000 1.028 407 M CA -0.718 54.616 55.300 0.056 0.000 0.921 407 M CB 1.922 34.565 32.600 0.072 0.000 1.601 407 M HN 0.822 nan 8.290 nan 0.000 0.440 408 M N 0.567 120.182 119.600 0.025 0.000 2.845 408 M HA -0.279 4.202 4.480 0.001 0.000 0.161 408 M C 0.858 177.166 176.300 0.013 0.000 0.677 408 M CA 2.248 57.557 55.300 0.015 0.000 0.616 408 M CB -1.758 30.849 32.600 0.012 0.000 2.246 408 M HN 1.201 nan 8.290 nan 0.000 0.267 409 G N -0.339 108.470 108.800 0.014 0.000 4.276 409 G HA2 0.125 4.085 3.960 0.001 0.000 0.178 409 G HA3 0.125 4.085 3.960 0.001 0.000 0.178 409 G C -0.290 174.614 174.900 0.008 0.000 0.785 409 G CA -0.041 45.065 45.100 0.010 0.000 0.853 409 G HN 0.321 nan 8.290 nan 0.000 0.428 410 R N 0.827 121.332 120.500 0.009 0.000 2.698 410 R HA 0.442 4.783 4.340 0.001 0.000 0.275 410 R C -1.114 175.186 176.300 -0.000 0.000 1.001 410 R CA -1.032 55.070 56.100 0.003 0.000 0.896 410 R CB 0.277 30.579 30.300 0.004 0.000 1.218 410 R HN -0.000 nan 8.270 nan 0.000 0.462 411 N N 0.393 119.084 118.700 -0.015 0.000 2.329 411 N HA 0.140 4.881 4.740 0.001 0.000 0.237 411 N C -0.454 175.036 175.510 -0.034 0.000 1.258 411 N CA 0.528 53.555 53.050 -0.037 0.000 0.866 411 N CB 0.695 39.152 38.487 -0.051 0.000 1.102 411 N HN 0.335 nan 8.380 nan 0.000 0.440 412 V N 1.497 121.374 119.914 -0.063 0.000 3.120 412 V HA 0.443 4.563 4.120 0.001 0.000 0.303 412 V C -0.431 175.592 176.094 -0.119 0.000 1.238 412 V CA -0.853 61.419 62.300 -0.047 0.000 1.008 412 V CB 2.552 34.387 31.823 0.019 0.000 1.064 412 V HN 0.587 nan 8.190 nan 0.000 0.434 413 R N 1.239 121.665 120.500 -0.124 0.000 2.621 413 R HA 0.815 5.155 4.340 0.001 0.000 0.292 413 R C -1.583 174.564 176.300 -0.254 0.000 0.969 413 R CA -0.746 55.201 56.100 -0.255 0.000 0.887 413 R CB 2.527 32.613 30.300 -0.358 0.000 1.180 413 R HN 0.506 nan 8.270 nan 0.000 0.450 414 V N 3.640 123.413 119.914 -0.235 0.000 2.398 414 V HA 0.394 4.515 4.120 0.001 0.000 0.286 414 V C -0.959 175.019 176.094 -0.193 0.000 1.026 414 V CA -0.741 61.497 62.300 -0.102 0.000 0.868 414 V CB 0.875 32.749 31.823 0.086 0.000 0.982 414 V HN 0.567 nan 8.190 nan 0.000 0.443 415 Y N 2.787 123.149 120.300 0.103 0.000 2.468 415 Y HA 0.752 5.302 4.550 0.001 0.000 0.342 415 Y C -0.051 175.919 175.900 0.117 0.000 1.021 415 Y CA -1.134 57.026 58.100 0.099 0.000 1.079 415 Y CB 2.345 40.844 38.460 0.066 0.000 1.226 415 Y HN 0.346 nan 8.280 nan 0.000 0.460 416 V N 4.153 124.265 119.914 0.329 0.000 2.524 416 V HA 0.700 4.820 4.120 0.001 0.000 0.297 416 V C -0.621 175.593 176.094 0.200 0.000 1.035 416 V CA -0.646 61.801 62.300 0.246 0.000 0.867 416 V CB 1.291 33.256 31.823 0.237 0.000 1.004 416 V HN 0.697 nan 8.190 nan 0.000 0.426 417 V N 1.862 121.859 119.914 0.138 0.000 3.087 417 V HA 0.775 4.896 4.120 0.001 0.000 0.312 417 V C -1.299 174.825 176.094 0.050 0.000 1.482 417 V CA -0.716 61.630 62.300 0.077 0.000 1.015 417 V CB 2.467 34.297 31.823 0.011 0.000 1.055 417 V HN 0.702 nan 8.190 nan 0.000 0.478 418 N N -0.156 118.550 118.700 0.010 0.000 2.747 418 N HA 0.278 5.018 4.740 0.001 0.000 0.262 418 N C 0.277 175.763 175.510 -0.041 0.000 1.261 418 N CA 0.069 53.109 53.050 -0.016 0.000 0.809 418 N CB 1.960 40.440 38.487 -0.011 0.000 1.450 418 N HN 0.860 nan 8.380 nan 0.000 0.560 419 E N 0.609 120.780 120.200 -0.048 0.000 2.267 419 E HA -0.093 4.257 4.350 0.001 0.000 0.197 419 E C -0.024 176.537 176.600 -0.064 0.000 0.998 419 E CA 0.724 57.091 56.400 -0.055 0.000 0.830 419 E CB 0.090 29.760 29.700 -0.050 0.000 0.751 419 E HN 0.577 nan 8.360 nan 0.000 0.491 420 N N 1.444 120.095 118.700 -0.081 0.000 2.415 420 N HA 0.025 4.765 4.740 0.001 0.000 0.248 420 N C 0.023 175.495 175.510 -0.064 0.000 1.271 420 N CA -0.548 52.449 53.050 -0.088 0.000 0.913 420 N CB 0.616 39.020 38.487 -0.137 0.000 1.129 420 N HN -0.017 nan 8.380 nan 0.000 0.444 421 E N 0.818 120.985 120.200 -0.056 0.000 2.569 421 E HA 0.005 4.356 4.350 0.001 0.000 0.258 421 E C -0.452 176.129 176.600 -0.031 0.000 1.390 421 E CA -0.129 56.247 56.400 -0.040 0.000 1.049 421 E CB 0.147 29.827 29.700 -0.034 0.000 1.009 421 E HN 0.365 nan 8.360 nan 0.000 0.580 422 N N 0.290 118.978 118.700 -0.020 0.000 1.794 422 N HA -0.114 4.626 4.740 0.001 0.000 0.324 422 N C -0.281 175.228 175.510 -0.003 0.000 1.301 422 N CA 1.139 54.183 53.050 -0.009 0.000 0.798 422 N CB -0.004 38.480 38.487 -0.005 0.000 1.038 422 N HN 0.494 nan 8.380 nan 0.000 0.506 423 T N 0.692 115.250 114.554 0.006 0.000 2.674 423 T HA 0.278 4.628 4.350 0.001 0.000 0.260 423 T C -1.683 173.036 174.700 0.031 0.000 2.030 423 T CA -0.701 61.413 62.100 0.022 0.000 0.930 423 T CB 0.271 69.149 68.868 0.016 0.000 2.225 423 T HN 0.350 nan 8.240 nan 0.000 0.386 424 K N 0.785 121.213 120.400 0.047 0.000 2.385 424 K HA 0.564 4.885 4.320 0.001 0.000 0.248 424 K C 0.518 177.145 176.600 0.045 0.000 0.955 424 K CA -0.795 55.518 56.287 0.044 0.000 0.816 424 K CB 2.107 34.633 32.500 0.044 0.000 1.250 424 K HN 0.330 nan 8.250 nan 0.000 0.434 425 L N 1.121 122.367 121.223 0.039 0.000 1.971 425 L HA -0.097 4.244 4.340 0.001 0.000 0.215 425 L C 0.124 177.012 176.870 0.030 0.000 1.072 425 L CA 1.966 56.834 54.840 0.045 0.000 0.758 425 L CB -0.024 42.081 42.059 0.077 0.000 0.889 425 L HN 0.621 nan 8.230 nan 0.000 0.433 426 C N 0.161 119.442 119.300 -0.032 0.000 2.391 426 C HA 0.709 5.170 4.460 0.001 0.000 0.339 426 C C 0.946 175.956 174.990 0.033 0.000 1.205 426 C CA -1.087 57.905 59.018 -0.044 0.000 1.937 426 C CB 0.284 27.846 27.740 -0.298 0.000 2.341 426 C HN 0.653 nan 8.230 nan 0.000 0.516 427 G N 2.520 111.383 108.800 0.105 0.000 2.614 427 G HA2 0.281 4.242 3.960 0.001 0.000 0.239 427 G HA3 0.281 4.242 3.960 0.001 0.000 0.239 427 G C -0.957 173.975 174.900 0.054 0.000 1.240 427 G CA -0.416 44.724 45.100 0.065 0.000 0.842 427 G HN 0.646 nan 8.290 nan 0.000 0.584 428 P HA -0.028 nan 4.420 nan 0.000 0.236 428 P C 0.741 178.044 177.300 0.004 0.000 1.172 428 P CA 1.283 64.402 63.100 0.032 0.000 0.759 428 P CB 0.381 32.075 31.700 -0.010 0.000 0.843 429 A N -0.808 121.973 122.820 -0.065 0.000 2.637 429 A HA 0.191 4.511 4.320 0.001 0.000 0.293 429 A C 1.326 178.748 177.584 -0.270 0.000 1.216 429 A CA -0.566 51.317 52.037 -0.257 0.000 0.956 429 A CB -0.917 17.843 19.000 -0.401 0.000 1.174 429 A HN 0.144 nan 8.150 nan 0.000 0.525 430 Y N -2.279 117.930 120.300 -0.151 0.000 2.314 430 Y HA 0.242 4.792 4.550 0.001 0.000 0.293 430 Y C 1.424 177.315 175.900 -0.014 0.000 1.129 430 Y CA 0.769 58.848 58.100 -0.034 0.000 1.201 430 Y CB -0.463 38.006 38.460 0.016 0.000 0.999 430 Y HN 0.235 nan 8.280 nan 0.000 0.541 431 A N 0.620 122.855 122.820 -0.975 0.000 2.640 431 A HA 0.269 4.590 4.320 0.001 0.000 0.282 431 A C -0.370 176.999 177.584 -0.359 0.000 1.357 431 A CA -0.518 51.037 52.037 -0.803 0.000 0.946 431 A CB -1.268 17.099 19.000 -1.056 0.000 1.065 431 A HN 0.430 nan 8.150 nan 0.000 0.541 432 N N 1.081 119.575 118.700 -0.344 0.000 2.472 432 N HA 0.326 5.066 4.740 0.001 0.000 0.277 432 N C -0.341 175.229 175.510 0.099 0.000 1.081 432 N CA 0.008 52.919 53.050 -0.231 0.000 0.973 432 N CB 0.922 39.015 38.487 -0.657 0.000 1.105 432 N HN 0.544 nan 8.380 nan 0.000 0.470 433 E N 1.417 121.717 120.200 0.167 0.000 2.216 433 E HA 0.341 4.692 4.350 0.001 0.000 0.279 433 E C -0.963 175.700 176.600 0.104 0.000 0.997 433 E CA -0.795 55.710 56.400 0.174 0.000 0.817 433 E CB 0.908 30.742 29.700 0.223 0.000 1.096 433 E HN 0.193 nan 8.360 nan 0.000 0.393 434 V N 5.093 125.043 119.914 0.060 0.000 2.530 434 V HA 0.299 4.420 4.120 0.001 0.000 0.282 434 V C 0.103 176.138 176.094 -0.098 0.000 1.048 434 V CA -0.250 62.051 62.300 0.001 0.000 0.997 434 V CB 0.802 32.618 31.823 -0.012 0.000 0.987 434 V HN 0.518 nan 8.190 nan 0.000 0.477 435 V N 4.246 124.088 119.914 -0.120 0.000 3.049 435 V HA 0.814 4.935 4.120 0.001 0.000 0.309 435 V C -0.812 175.251 176.094 -0.052 0.000 1.148 435 V CA -0.557 61.640 62.300 -0.172 0.000 0.990 435 V CB 2.292 33.868 31.823 -0.411 0.000 1.039 435 V HN 0.475 nan 8.190 nan 0.000 0.430 436 V N 4.153 124.033 119.914 -0.056 0.000 2.732 436 V HA 0.678 4.798 4.120 0.001 0.000 0.310 436 V C -0.768 175.372 176.094 0.077 0.000 1.053 436 V CA -0.416 61.871 62.300 -0.021 0.000 0.957 436 V CB 1.611 33.403 31.823 -0.052 0.000 1.018 436 V HN 1.041 nan 8.190 nan 0.000 0.452 437 Y N 2.089 122.335 120.300 -0.091 0.000 2.409 437 Y HA 0.224 4.775 4.550 0.001 0.000 0.321 437 Y C 0.251 176.095 175.900 -0.094 0.000 1.209 437 Y CA -1.304 56.734 58.100 -0.103 0.000 1.086 437 Y CB 1.295 39.641 38.460 -0.190 0.000 1.320 437 Y HN 0.626 nan 8.280 nan 0.000 0.440 438 K N 3.541 124.139 120.400 0.330 0.000 2.948 438 K HA -0.249 4.072 4.320 0.001 0.000 0.253 438 K C 0.688 177.293 176.600 0.009 0.000 0.970 438 K CA 1.541 57.870 56.287 0.070 0.000 0.716 438 K CB -1.714 30.698 32.500 -0.147 0.000 1.249 438 K HN 1.436 nan 8.250 nan 0.000 0.483 439 G N -0.392 108.424 108.800 0.027 0.000 2.175 439 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 439 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 439 G C -0.306 174.549 174.900 -0.075 0.000 0.982 439 G CA 0.320 45.426 45.100 0.010 0.000 0.641 439 G HN 0.379 nan 8.290 nan 0.000 0.527 440 D N -0.050 120.241 120.400 -0.182 0.000 2.252 440 D HA 0.571 5.211 4.640 0.001 0.000 0.245 440 D C 0.266 176.253 176.300 -0.520 0.000 1.009 440 D CA -0.393 53.355 54.000 -0.420 0.000 0.870 440 D CB 1.599 41.968 40.800 -0.718 0.000 1.251 440 D HN 0.190 nan 8.370 nan 0.000 0.460 441 I N 2.803 123.101 120.570 -0.452 0.000 2.307 441 I HA 0.156 4.326 4.170 0.001 0.000 0.287 441 I C -0.528 175.397 176.117 -0.320 0.000 1.054 441 I CA -0.541 60.582 61.300 -0.296 0.000 1.218 441 I CB 0.025 37.936 38.000 -0.150 0.000 1.398 441 I HN 0.118 nan 8.210 nan 0.000 0.475 442 Y N 3.545 123.844 120.300 -0.001 0.000 2.458 442 Y HA 0.690 5.241 4.550 0.001 0.000 0.322 442 Y C 0.962 176.824 175.900 -0.064 0.000 1.259 442 Y CA -1.209 56.867 58.100 -0.040 0.000 1.302 442 Y CB 1.432 39.862 38.460 -0.050 0.000 1.314 442 Y HN 0.444 nan 8.280 nan 0.000 0.509 443 G N 1.843 110.711 108.800 0.114 0.000 2.782 443 G HA2 0.623 4.583 3.960 0.001 0.000 0.289 443 G HA3 0.623 4.583 3.960 0.001 0.000 0.289 443 G C -1.301 173.581 174.900 -0.030 0.000 1.463 443 G CA -0.578 44.601 45.100 0.130 0.000 1.019 443 G HN 0.621 nan 8.290 nan 0.000 0.536 444 I N -0.103 120.411 120.570 -0.093 0.000 2.994 444 I HA 0.746 4.917 4.170 0.001 0.000 0.306 444 I C -2.888 173.217 176.117 -0.020 0.000 1.195 444 I CA -3.262 57.868 61.300 -0.284 0.000 1.001 444 I CB 3.184 40.589 38.000 -0.991 0.000 1.244 444 I HN 0.180 nan 8.210 nan 0.000 0.437 445 P HA 0.155 nan 4.420 nan 0.000 0.285 445 P C -0.998 176.249 177.300 -0.089 0.000 1.259 445 P CA -0.443 62.643 63.100 -0.023 0.000 0.794 445 P CB 1.389 33.072 31.700 -0.028 0.000 0.940 446 K N 2.446 122.687 120.400 -0.265 0.000 2.034 446 K HA 0.124 4.445 4.320 0.001 0.000 0.225 446 K C -0.461 175.926 176.600 -0.354 0.000 1.190 446 K CA 0.398 56.279 56.287 -0.676 0.000 1.152 446 K CB -0.742 31.477 32.500 -0.469 0.000 1.300 446 K HN 0.427 nan 8.250 nan 0.000 0.268 447 T N 3.086 117.498 114.554 -0.238 0.000 2.856 447 T HA 0.124 4.475 4.350 0.001 0.000 0.283 447 T C 0.845 175.465 174.700 -0.134 0.000 1.008 447 T CA -1.025 60.999 62.100 -0.126 0.000 0.997 447 T CB 1.619 70.456 68.868 -0.051 0.000 0.992 447 T HN 0.416 nan 8.240 nan 0.000 0.454 448 K N 2.685 123.015 120.400 -0.117 0.000 2.304 448 K HA -0.255 4.065 4.320 0.001 0.000 0.204 448 K C 1.650 178.180 176.600 -0.116 0.000 1.044 448 K CA 1.430 57.660 56.287 -0.095 0.000 0.932 448 K CB -0.194 32.259 32.500 -0.079 0.000 0.735 448 K HN 0.598 nan 8.250 nan 0.000 0.468 449 K N 0.472 120.755 120.400 -0.195 0.000 2.001 449 K HA -0.117 4.204 4.320 0.001 0.000 0.208 449 K C 1.619 177.998 176.600 -0.367 0.000 1.048 449 K CA 1.416 57.491 56.287 -0.354 0.000 0.932 449 K CB -0.219 31.951 32.500 -0.550 0.000 0.715 449 K HN 0.297 nan 8.250 nan 0.000 0.437 450 W N 1.470 122.677 121.300 -0.155 0.000 3.047 450 W HA 0.136 4.796 4.660 0.001 0.000 0.250 450 W C 1.986 178.570 176.519 0.108 0.000 1.314 450 W CA -0.210 57.059 57.345 -0.127 0.000 1.540 450 W CB 0.109 29.509 29.460 -0.101 0.000 1.127 450 W HN 0.214 nan 8.180 nan 0.000 0.679 451 R N 1.542 122.157 120.500 0.191 0.000 2.248 451 R HA -0.390 3.951 4.340 0.001 0.000 0.236 451 R C 2.416 178.944 176.300 0.380 0.000 1.111 451 R CA 3.646 59.864 56.100 0.197 0.000 0.894 451 R CB -1.007 29.347 30.300 0.090 0.000 0.905 451 R HN 0.216 nan 8.270 nan 0.000 0.426 452 S N -0.053 115.862 115.700 0.357 0.000 2.407 452 S HA -0.291 4.180 4.470 0.001 0.000 0.244 452 S C 1.937 176.818 174.600 0.467 0.000 1.077 452 S CA 2.068 60.501 58.200 0.389 0.000 1.159 452 S CB -1.271 62.199 63.200 0.451 0.000 1.045 452 S HN 0.415 nan 8.310 nan 0.000 0.438 453 F N 1.530 121.744 119.950 0.439 0.000 2.115 453 F HA -0.029 4.498 4.527 0.001 0.000 0.300 453 F C 2.119 178.006 175.800 0.146 0.000 1.092 453 F CA 0.840 59.091 58.000 0.418 0.000 1.245 453 F CB -1.102 38.237 39.000 0.565 0.000 0.995 453 F HN 0.173 nan 8.300 nan 0.000 0.481 454 F N -0.218 119.899 119.950 0.278 0.000 2.748 454 F HA 0.002 4.529 4.527 0.001 0.000 0.299 454 F C 1.427 177.258 175.800 0.051 0.000 1.154 454 F CA 0.670 58.750 58.000 0.134 0.000 1.446 454 F CB -0.523 38.557 39.000 0.132 0.000 1.112 454 F HN 0.075 nan 8.300 nan 0.000 0.584 455 E N -0.633 119.676 120.200 0.183 0.000 2.734 455 E HA 0.133 4.484 4.350 0.001 0.000 0.211 455 E C 0.478 177.054 176.600 -0.040 0.000 0.991 455 E CA 0.149 56.595 56.400 0.077 0.000 1.065 455 E CB 0.274 30.036 29.700 0.103 0.000 1.047 455 E HN 0.444 nan 8.360 nan 0.000 0.470 456 E N -0.175 119.910 120.200 -0.192 0.000 2.581 456 E HA 0.107 4.457 4.350 0.001 0.000 0.195 456 E C 0.472 176.737 176.600 -0.559 0.000 0.936 456 E CA -0.175 56.015 56.400 -0.351 0.000 1.387 456 E CB 1.375 30.826 29.700 -0.416 0.000 1.424 456 E HN 0.127 nan 8.360 nan 0.000 0.742 457 G N 1.086 109.580 108.800 -0.510 0.000 2.735 457 G HA2 0.520 4.481 3.960 0.001 0.000 0.301 457 G HA3 0.520 4.481 3.960 0.001 0.000 0.301 457 G C -0.534 174.252 174.900 -0.190 0.000 1.279 457 G CA -0.564 44.303 45.100 -0.388 0.000 1.019 457 G HN 0.053 nan 8.290 nan 0.000 0.497 458 V N -0.888 118.945 119.914 -0.134 0.000 2.294 458 V HA 0.556 4.677 4.120 0.001 0.000 0.272 458 V C -2.359 173.655 176.094 -0.133 0.000 1.027 458 V CA -2.426 59.808 62.300 -0.110 0.000 0.823 458 V CB 1.015 32.784 31.823 -0.089 0.000 1.030 458 V HN 0.533 nan 8.190 nan 0.000 0.457 459 P HA 0.168 nan 4.420 nan 0.000 0.271 459 P C 0.821 178.051 177.300 -0.117 0.000 1.226 459 P CA 0.184 63.174 63.100 -0.183 0.000 0.765 459 P CB 1.416 33.010 31.700 -0.177 0.000 0.835 460 T N 2.174 116.662 114.554 -0.110 0.000 2.833 460 T HA -0.013 4.338 4.350 0.001 0.000 0.269 460 T C 1.498 176.170 174.700 -0.047 0.000 1.054 460 T CA 1.622 63.671 62.100 -0.086 0.000 1.135 460 T CB -0.759 68.069 68.868 -0.067 0.000 0.869 460 T HN 0.767 nan 8.240 nan 0.000 0.466 461 G N 0.920 109.710 108.800 -0.016 0.000 2.176 461 G HA2 -0.220 3.740 3.960 0.001 0.000 0.253 461 G HA3 -0.220 3.740 3.960 0.001 0.000 0.253 461 G C 0.146 175.075 174.900 0.047 0.000 0.979 461 G CA -0.196 44.919 45.100 0.025 0.000 0.641 461 G HN 0.561 nan 8.290 nan 0.000 0.530 462 I N 1.585 122.180 120.570 0.042 0.000 2.328 462 I HA 0.410 4.580 4.170 0.001 0.000 0.287 462 I C 0.774 176.942 176.117 0.085 0.000 1.012 462 I CA -0.727 60.616 61.300 0.071 0.000 1.195 462 I CB 0.954 38.992 38.000 0.063 0.000 1.350 462 I HN 0.037 nan 8.210 nan 0.000 0.464 463 R N 4.046 124.606 120.500 0.100 0.000 2.573 463 R HA 0.324 4.664 4.340 0.001 0.000 0.272 463 R C 0.357 176.775 176.300 0.197 0.000 1.009 463 R CA -0.706 55.482 56.100 0.146 0.000 1.059 463 R CB 1.036 31.377 30.300 0.068 0.000 1.112 463 R HN 0.388 nan 8.270 nan 0.000 0.517 464 Y N 1.518 121.820 120.300 0.004 0.000 2.062 464 Y HA -0.363 4.187 4.550 0.001 0.000 0.276 464 Y C 2.261 178.217 175.900 0.095 0.000 1.189 464 Y CA 2.104 60.226 58.100 0.037 0.000 1.130 464 Y CB -0.729 37.737 38.460 0.010 0.000 0.959 464 Y HN 0.574 nan 8.280 nan 0.000 0.499 465 I N -2.178 118.555 120.570 0.271 0.000 2.099 465 I HA -0.274 3.897 4.170 0.001 0.000 0.239 465 I C 1.994 178.183 176.117 0.121 0.000 1.066 465 I CA 2.031 63.487 61.300 0.260 0.000 1.324 465 I CB -0.884 37.278 38.000 0.270 0.000 1.037 465 I HN 0.064 nan 8.210 nan 0.000 0.401 466 D N 1.695 122.114 120.400 0.032 0.000 2.157 466 D HA -0.206 4.434 4.640 0.001 0.000 0.191 466 D C 2.256 178.422 176.300 -0.223 0.000 1.004 466 D CA 2.287 56.213 54.000 -0.124 0.000 0.854 466 D CB -0.499 40.305 40.800 0.007 0.000 0.936 466 D HN 0.630 nan 8.370 nan 0.000 0.446 467 G N -0.366 108.452 108.800 0.031 0.000 2.421 467 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 467 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 467 G C 1.488 176.483 174.900 0.158 0.000 1.143 467 G CA 0.211 45.395 45.100 0.139 0.000 0.784 467 G HN 0.314 nan 8.290 nan 0.000 0.541 468 F N 2.098 122.043 119.950 -0.008 0.000 2.098 468 F HA 0.150 4.678 4.527 0.001 0.000 0.294 468 F C 2.866 178.689 175.800 0.037 0.000 1.107 468 F CA 1.411 59.423 58.000 0.021 0.000 1.234 468 F CB -0.123 38.889 39.000 0.020 0.000 1.002 468 F HN 0.224 nan 8.300 nan 0.000 0.472 469 A N 0.385 123.022 122.820 -0.305 0.000 1.915 469 A HA -0.310 4.010 4.320 0.001 0.000 0.220 469 A C 1.968 179.351 177.584 -0.336 0.000 1.198 469 A CA 2.337 54.116 52.037 -0.431 0.000 0.647 469 A CB -1.757 17.038 19.000 -0.341 0.000 0.825 469 A HN 0.628 nan 8.150 nan 0.000 0.456 470 Y N -2.088 118.161 120.300 -0.085 0.000 2.165 470 Y HA -0.231 4.319 4.550 0.001 0.000 0.286 470 Y C 2.313 178.176 175.900 -0.063 0.000 1.155 470 Y CA 1.080 59.146 58.100 -0.057 0.000 1.164 470 Y CB -1.304 37.151 38.460 -0.008 0.000 0.978 470 Y HN 0.508 nan 8.280 nan 0.000 0.513 471 Y N 0.235 120.504 120.300 -0.052 0.000 2.165 471 Y HA -0.227 4.323 4.550 0.001 0.000 0.286 471 Y C 2.408 178.201 175.900 -0.179 0.000 1.155 471 Y CA 1.139 59.187 58.100 -0.087 0.000 1.164 471 Y CB -0.683 37.746 38.460 -0.052 0.000 0.978 471 Y HN 0.062 nan 8.280 nan 0.000 0.513 472 A N 0.525 123.256 122.820 -0.147 0.000 1.824 472 A HA -0.142 4.178 4.320 0.001 0.000 0.215 472 A C 2.497 180.028 177.584 -0.089 0.000 1.209 472 A CA 2.312 54.241 52.037 -0.180 0.000 0.614 472 A CB -1.741 17.007 19.000 -0.421 0.000 0.852 472 A HN 0.599 nan 8.150 nan 0.000 0.447 473 A N -0.425 122.340 122.820 -0.092 0.000 1.915 473 A HA -0.291 4.030 4.320 0.001 0.000 0.220 473 A C 2.186 179.745 177.584 -0.042 0.000 1.198 473 A CA 2.783 54.791 52.037 -0.048 0.000 0.647 473 A CB -0.533 18.447 19.000 -0.034 0.000 0.825 473 A HN 0.495 nan 8.150 nan 0.000 0.456 474 R N -0.733 119.735 120.500 -0.054 0.000 2.285 474 R HA -0.015 4.326 4.340 0.001 0.000 0.213 474 R C 1.687 177.917 176.300 -0.117 0.000 1.068 474 R CA 1.596 57.646 56.100 -0.083 0.000 1.004 474 R CB -0.280 29.958 30.300 -0.104 0.000 0.873 474 R HN 0.399 nan 8.270 nan 0.000 0.467 475 K N -0.566 119.764 120.400 -0.117 0.000 2.137 475 K HA 0.021 4.342 4.320 0.001 0.000 0.202 475 K C 1.749 178.329 176.600 -0.035 0.000 1.052 475 K CA 1.162 57.388 56.287 -0.101 0.000 0.961 475 K CB -0.194 32.273 32.500 -0.054 0.000 0.741 475 K HN 0.129 nan 8.250 nan 0.000 0.452 476 V N -0.641 119.266 119.914 -0.012 0.000 2.626 476 V HA -0.138 3.982 4.120 0.001 0.000 0.252 476 V C 1.907 178.002 176.094 0.002 0.000 1.067 476 V CA 2.019 64.326 62.300 0.011 0.000 1.081 476 V CB -0.354 31.486 31.823 0.028 0.000 0.686 476 V HN 0.372 nan 8.190 nan 0.000 0.468 477 E N 0.450 120.641 120.200 -0.014 0.000 2.153 477 E HA -0.250 4.100 4.350 0.001 0.000 0.194 477 E C 2.178 178.765 176.600 -0.022 0.000 0.988 477 E CA 1.681 58.071 56.400 -0.017 0.000 0.811 477 E CB -0.138 29.544 29.700 -0.031 0.000 0.746 477 E HN 0.826 nan 8.360 nan 0.000 0.466 478 E N -0.280 119.900 120.200 -0.033 0.000 2.152 478 E HA -0.128 4.222 4.350 0.001 0.000 0.192 478 E C 1.919 178.511 176.600 -0.014 0.000 0.983 478 E CA 0.752 57.133 56.400 -0.033 0.000 0.818 478 E CB 0.011 29.681 29.700 -0.049 0.000 0.758 478 E HN 0.314 nan 8.360 nan 0.000 0.467 479 A N 1.372 124.190 122.820 -0.004 0.000 1.930 479 A HA 0.077 4.397 4.320 0.001 0.000 0.215 479 A C 2.361 179.950 177.584 0.008 0.000 1.176 479 A CA 1.138 53.179 52.037 0.007 0.000 0.632 479 A CB -0.378 18.632 19.000 0.018 0.000 0.819 479 A HN 0.258 nan 8.150 nan 0.000 0.445 480 A N 0.935 123.760 122.820 0.008 0.000 1.892 480 A HA -0.190 4.131 4.320 0.001 0.000 0.218 480 A C 2.174 179.762 177.584 0.006 0.000 1.188 480 A CA 2.034 54.077 52.037 0.010 0.000 0.631 480 A CB -0.722 18.285 19.000 0.012 0.000 0.822 480 A HN 0.834 nan 8.150 nan 0.000 0.447 481 M N -2.318 117.282 119.600 0.000 0.000 2.568 481 M HA 0.314 4.795 4.480 0.001 0.000 0.226 481 M C 1.326 177.625 176.300 -0.002 0.000 1.148 481 M CA 0.872 56.171 55.300 -0.002 0.000 1.007 481 M CB 0.106 32.702 32.600 -0.006 0.000 1.651 481 M HN 0.292 nan 8.290 nan 0.000 0.488 482 R N 0.651 121.152 120.500 0.001 0.000 2.437 482 R HA 0.082 4.422 4.340 0.001 0.000 0.257 482 R C 0.038 176.341 176.300 0.005 0.000 0.927 482 R CA 0.332 56.433 56.100 0.002 0.000 1.078 482 R CB 0.563 30.864 30.300 0.002 0.000 1.161 482 R HN 0.363 nan 8.270 nan 0.000 0.529 483 E N -0.571 119.633 120.200 0.007 0.000 4.155 483 E HA -0.241 4.110 4.350 0.001 0.000 0.367 483 E C -0.335 176.272 176.600 0.011 0.000 0.631 483 E CA 1.027 57.432 56.400 0.008 0.000 1.351 483 E CB -1.104 28.600 29.700 0.007 0.000 1.759 483 E HN 0.549 nan 8.360 nan 0.000 0.401 484 Q N -0.165 119.643 119.800 0.013 0.000 3.220 484 Q HA 0.032 4.372 4.340 0.001 0.000 0.191 484 Q C 1.063 177.075 176.000 0.021 0.000 1.184 484 Q CA 1.692 57.505 55.803 0.018 0.000 1.277 484 Q CB 0.094 28.844 28.738 0.021 0.000 1.373 484 Q HN 0.273 nan 8.270 nan 0.000 0.715 485 E N -1.258 118.958 120.200 0.026 0.000 2.662 485 E HA 0.245 4.596 4.350 0.001 0.000 0.187 485 E C -0.999 175.626 176.600 0.041 0.000 0.924 485 E CA -0.084 56.334 56.400 0.030 0.000 1.330 485 E CB 0.528 30.243 29.700 0.026 0.000 1.136 485 E HN 0.434 nan 8.360 nan 0.000 0.569 486 E N 0.669 120.896 120.200 0.045 0.000 2.506 486 E HA 0.396 4.746 4.350 0.001 0.000 0.308 486 E C -1.609 175.026 176.600 0.059 0.000 0.931 486 E CA -0.775 55.660 56.400 0.058 0.000 0.800 486 E CB 1.879 31.612 29.700 0.055 0.000 1.292 486 E HN 0.139 nan 8.360 nan 0.000 0.401 487 V N 1.399 121.357 119.914 0.073 0.000 2.588 487 V HA 0.688 4.809 4.120 0.001 0.000 0.304 487 V C -0.698 175.454 176.094 0.098 0.000 1.042 487 V CA -0.943 61.404 62.300 0.077 0.000 0.877 487 V CB 1.654 33.519 31.823 0.071 0.000 0.996 487 V HN 0.599 nan 8.190 nan 0.000 0.425 488 K N 3.625 124.084 120.400 0.098 0.000 2.347 488 K HA 0.668 4.989 4.320 0.001 0.000 0.262 488 K C -1.271 175.415 176.600 0.144 0.000 1.052 488 K CA -0.337 56.017 56.287 0.111 0.000 0.946 488 K CB 1.227 33.778 32.500 0.084 0.000 1.220 488 K HN 0.723 nan 8.250 nan 0.000 0.450 489 V N 6.426 126.453 119.914 0.188 0.000 2.293 489 V HA 0.342 4.463 4.120 0.001 0.000 0.275 489 V C -0.460 175.842 176.094 0.346 0.000 1.021 489 V CA -0.664 61.797 62.300 0.268 0.000 0.815 489 V CB 0.622 32.609 31.823 0.274 0.000 1.025 489 V HN 0.774 nan 8.190 nan 0.000 0.448 490 K N 3.475 124.018 120.400 0.237 0.000 2.352 490 K HA 1.007 5.327 4.320 0.001 0.000 0.240 490 K C -0.874 175.722 176.600 -0.006 0.000 1.017 490 K CA -1.030 55.335 56.287 0.130 0.000 0.851 490 K CB 2.972 35.512 32.500 0.066 0.000 1.261 490 K HN 0.554 nan 8.250 nan 0.000 0.451 491 A N 1.311 124.031 122.820 -0.166 0.000 2.456 491 A HA 0.415 4.735 4.320 0.001 0.000 0.288 491 A C -0.506 177.048 177.584 -0.051 0.000 1.042 491 A CA -0.872 51.036 52.037 -0.214 0.000 0.738 491 A CB 1.458 20.118 19.000 -0.567 0.000 1.266 491 A HN 0.840 nan 8.150 nan 0.000 0.407 492 R N 0.874 121.417 120.500 0.073 0.000 1.855 492 R HA 0.349 4.690 4.340 0.001 0.000 0.168 492 R C 0.322 176.722 176.300 0.167 0.000 1.791 492 R CA 0.438 56.741 56.100 0.338 0.000 1.428 492 R CB -0.434 30.060 30.300 0.323 0.000 1.037 492 R HN 0.754 nan 8.270 nan 0.000 0.483 493 I N -0.208 120.425 120.570 0.105 0.000 2.886 493 I HA 0.270 4.441 4.170 0.001 0.000 0.299 493 I C -0.239 175.877 176.117 -0.001 0.000 1.044 493 I CA -0.978 60.325 61.300 0.004 0.000 1.310 493 I CB 0.803 38.821 38.000 0.029 0.000 1.441 493 I HN -0.140 nan 8.210 nan 0.000 0.578 494 V N 3.240 123.159 119.914 0.008 0.000 2.380 494 V HA 0.383 4.503 4.120 0.001 0.000 0.286 494 V C 0.261 176.369 176.094 0.022 0.000 1.015 494 V CA -0.271 62.039 62.300 0.016 0.000 0.834 494 V CB 0.582 32.454 31.823 0.082 0.000 1.009 494 V HN 0.845 nan 8.190 nan 0.000 0.428 495 E N 3.840 124.044 120.200 0.007 0.000 2.501 495 E HA 0.251 4.602 4.350 0.001 0.000 0.200 495 E C 0.258 176.863 176.600 0.009 0.000 1.016 495 E CA 0.030 56.439 56.400 0.015 0.000 0.921 495 E CB 0.483 30.193 29.700 0.016 0.000 1.034 495 E HN 0.983 nan 8.360 nan 0.000 0.468 496 N N -2.018 116.678 118.700 -0.008 0.000 3.514 496 N HA 0.045 4.786 4.740 0.001 0.000 0.268 496 N C 0.190 175.675 175.510 -0.042 0.000 1.391 496 N CA -0.738 52.304 53.050 -0.013 0.000 0.821 496 N CB 0.221 38.709 38.487 0.002 0.000 1.563 496 N HN -0.196 nan 8.380 nan 0.000 0.426 497 L N 0.087 121.294 121.223 -0.028 0.000 2.093 497 L HA -0.091 4.249 4.340 0.001 0.000 0.208 497 L C 2.752 179.619 176.870 -0.006 0.000 1.085 497 L CA 1.587 56.408 54.840 -0.032 0.000 0.755 497 L CB -0.555 41.505 42.059 0.002 0.000 0.904 497 L HN 0.753 nan 8.230 nan 0.000 0.435 498 S N 0.312 116.022 115.700 0.017 0.000 2.369 498 S HA -0.273 4.198 4.470 0.001 0.000 0.225 498 S C 1.594 176.197 174.600 0.006 0.000 1.043 498 S CA 2.078 60.296 58.200 0.031 0.000 1.074 498 S CB -0.348 62.869 63.200 0.028 0.000 0.962 498 S HN 0.444 nan 8.310 nan 0.000 0.433 499 D N 0.462 120.847 120.400 -0.025 0.000 2.389 499 D HA -0.035 4.606 4.640 0.001 0.000 0.221 499 D C 1.206 177.459 176.300 -0.078 0.000 0.974 499 D CA 0.644 54.610 54.000 -0.056 0.000 0.923 499 D CB -0.162 40.606 40.800 -0.052 0.000 0.892 499 D HN 0.484 nan 8.370 nan 0.000 0.518 500 I N 0.055 120.583 120.570 -0.070 0.000 3.947 500 I HA -0.006 4.165 4.170 0.001 0.000 0.327 500 I C -0.368 175.776 176.117 0.045 0.000 1.519 500 I CA -0.018 61.239 61.300 -0.071 0.000 1.122 500 I CB 0.095 37.936 38.000 -0.265 0.000 1.146 500 I HN -0.223 nan 8.210 nan 0.000 0.442 501 N N 1.434 120.191 118.700 0.094 0.000 2.756 501 N HA -0.194 4.546 4.740 0.001 0.000 0.248 501 N C -1.664 173.951 175.510 0.175 0.000 1.062 501 N CA 0.636 53.801 53.050 0.192 0.000 0.696 501 N CB -0.926 37.737 38.487 0.294 0.000 0.946 501 N HN 0.286 nan 8.380 nan 0.000 0.548 502 L N 1.260 122.572 121.223 0.148 0.000 2.424 502 L HA 0.754 5.095 4.340 0.001 0.000 0.258 502 L C -0.534 176.494 176.870 0.262 0.000 0.995 502 L CA -0.880 54.068 54.840 0.180 0.000 0.821 502 L CB 1.554 43.652 42.059 0.064 0.000 1.383 502 L HN 0.252 nan 8.230 nan 0.000 0.410 503 Y N 1.184 121.485 120.300 0.002 0.000 2.689 503 Y HA 0.858 5.409 4.550 0.001 0.000 0.333 503 Y C -1.404 174.497 175.900 0.002 0.000 1.208 503 Y CA -2.052 56.048 58.100 0.000 0.000 1.055 503 Y CB 1.062 39.524 38.460 0.002 0.000 1.304 503 Y HN 0.496 nan 8.280 nan 0.000 0.455 504 I N -0.533 119.945 120.570 -0.153 0.000 2.656 504 I HA 0.450 4.621 4.170 0.001 0.000 0.292 504 I C -0.725 175.369 176.117 -0.038 0.000 1.144 504 I CA -1.064 60.105 61.300 -0.219 0.000 1.038 504 I CB 2.212 40.160 38.000 -0.087 0.000 1.244 504 I HN 0.930 nan 8.210 nan 0.000 0.420 505 H N 5.534 124.530 119.070 -0.123 0.000 3.064 505 H HA -0.016 4.540 4.556 0.001 0.000 0.329 505 H C 0.892 176.235 175.328 0.025 0.000 1.020 505 H CA 1.561 57.608 56.048 -0.000 0.000 1.402 505 H CB 1.310 31.054 29.762 -0.029 0.000 1.379 505 H HN 0.934 nan 8.280 nan 0.000 0.594 506 E N 3.174 123.268 120.200 -0.175 0.000 2.187 506 E HA -0.299 4.051 4.350 0.001 0.000 0.199 506 E C 0.969 177.655 176.600 0.144 0.000 1.004 506 E CA 1.801 58.190 56.400 -0.018 0.000 0.813 506 E CB -0.088 29.553 29.700 -0.099 0.000 0.736 506 E HN 0.571 nan 8.360 nan 0.000 0.468 507 N N 0.810 119.733 118.700 0.372 0.000 2.270 507 N HA -0.108 4.632 4.740 0.001 0.000 0.181 507 N C 2.007 177.619 175.510 0.171 0.000 1.016 507 N CA 1.520 54.713 53.050 0.238 0.000 0.870 507 N CB -0.009 38.585 38.487 0.178 0.000 0.979 507 N HN 0.354 nan 8.380 nan 0.000 0.431 508 V N -1.273 118.738 119.914 0.160 0.000 2.719 508 V HA 0.052 4.172 4.120 0.001 0.000 0.252 508 V C 2.219 178.428 176.094 0.192 0.000 1.065 508 V CA 1.010 63.390 62.300 0.134 0.000 1.086 508 V CB -0.456 31.393 31.823 0.043 0.000 0.700 508 V HN 0.060 nan 8.190 nan 0.000 0.467 509 R N 0.694 121.276 120.500 0.137 0.000 2.070 509 R HA -0.044 4.296 4.340 0.001 0.000 0.232 509 R C 2.670 179.045 176.300 0.125 0.000 1.138 509 R CA 1.880 58.043 56.100 0.105 0.000 0.936 509 R CB -0.371 29.972 30.300 0.073 0.000 0.839 509 R HN 0.411 nan 8.270 nan 0.000 0.429 510 R N -0.832 119.746 120.500 0.131 0.000 2.211 510 R HA -0.223 4.118 4.340 0.001 0.000 0.240 510 R C 2.020 178.432 176.300 0.186 0.000 1.144 510 R CA 1.595 57.777 56.100 0.138 0.000 0.992 510 R CB -0.440 29.930 30.300 0.117 0.000 0.869 510 R HN 0.374 nan 8.270 nan 0.000 0.462 511 Y N 1.430 121.783 120.300 0.088 0.000 2.117 511 Y HA -0.156 4.395 4.550 0.001 0.000 0.277 511 Y C 2.058 178.045 175.900 0.145 0.000 1.104 511 Y CA 1.338 59.501 58.100 0.105 0.000 1.089 511 Y CB -0.555 37.933 38.460 0.047 0.000 0.999 511 Y HN -0.172 nan 8.280 nan 0.000 0.480 512 I N -0.067 120.499 120.570 -0.006 0.000 2.181 512 I HA -0.372 3.798 4.170 0.001 0.000 0.247 512 I C 2.371 178.419 176.117 -0.116 0.000 1.081 512 I CA 1.523 62.751 61.300 -0.120 0.000 1.340 512 I CB -0.685 37.331 38.000 0.028 0.000 1.036 512 I HN 0.344 nan 8.210 nan 0.000 0.417 513 L N 0.835 122.050 121.223 -0.014 0.000 1.970 513 L HA -0.268 4.073 4.340 0.001 0.000 0.212 513 L C 2.330 179.195 176.870 -0.008 0.000 1.071 513 L CA 2.024 56.866 54.840 0.004 0.000 0.751 513 L CB -0.987 41.107 42.059 0.059 0.000 0.889 513 L HN 0.449 nan 8.230 nan 0.000 0.432 514 W N 0.486 121.705 121.300 -0.135 0.000 2.325 514 W HA -0.246 4.415 4.660 0.001 0.000 0.299 514 W C 1.631 178.036 176.519 -0.190 0.000 1.215 514 W CA 1.393 58.658 57.345 -0.133 0.000 1.244 514 W CB -0.116 29.282 29.460 -0.103 0.000 1.140 514 W HN 0.102 nan 8.180 nan 0.000 0.523 515 K N 1.131 121.401 120.400 -0.218 0.000 2.522 515 K HA -0.034 4.286 4.320 0.001 0.000 0.194 515 K C 0.474 176.933 176.600 -0.234 0.000 1.026 515 K CA 0.310 56.422 56.287 -0.291 0.000 1.119 515 K CB -0.516 31.723 32.500 -0.435 0.000 0.856 515 K HN 0.196 nan 8.250 nan 0.000 0.513 516 K N 0.305 120.576 120.400 -0.215 0.000 3.156 516 K HA -0.185 4.136 4.320 0.001 0.000 0.266 516 K C 0.375 176.907 176.600 -0.113 0.000 0.966 516 K CA 0.619 56.814 56.287 -0.153 0.000 0.719 516 K CB -1.525 30.878 32.500 -0.162 0.000 1.333 516 K HN 0.365 nan 8.250 nan 0.000 0.468 517 G N 1.024 109.756 108.800 -0.113 0.000 2.441 517 G HA2 0.551 4.512 3.960 0.001 0.000 0.334 517 G HA3 0.551 4.512 3.960 0.001 0.000 0.334 517 G C -0.496 174.359 174.900 -0.075 0.000 1.161 517 G CA -0.843 44.201 45.100 -0.094 0.000 0.935 517 G HN 0.187 nan 8.290 nan 0.000 0.488 518 K N -0.623 119.729 120.400 -0.080 0.000 2.350 518 K HA 0.715 5.035 4.320 0.001 0.000 0.241 518 K C -1.193 175.339 176.600 -0.114 0.000 0.994 518 K CA -1.017 55.233 56.287 -0.062 0.000 0.839 518 K CB 2.622 35.118 32.500 -0.007 0.000 1.244 518 K HN 0.312 nan 8.250 nan 0.000 0.443 519 I N 1.272 121.803 120.570 -0.065 0.000 2.464 519 I HA 0.099 4.269 4.170 0.001 0.000 0.277 519 I C -1.052 175.060 176.117 -0.009 0.000 1.040 519 I CA -0.575 60.680 61.300 -0.074 0.000 1.153 519 I CB 1.377 39.349 38.000 -0.047 0.000 1.274 519 I HN 0.702 nan 8.210 nan 0.000 0.469 520 D N 6.164 126.584 120.400 0.033 0.000 2.767 520 D HA 0.203 4.843 4.640 0.001 0.000 0.241 520 D C -0.532 175.832 176.300 0.106 0.000 1.187 520 D CA -0.060 54.010 54.000 0.117 0.000 0.999 520 D CB 0.558 41.508 40.800 0.249 0.000 1.042 520 D HN 0.133 nan 8.370 nan 0.000 0.510 521 V N 4.178 124.128 119.914 0.061 0.000 2.270 521 V HA 0.455 4.576 4.120 0.001 0.000 0.263 521 V C 0.439 176.583 176.094 0.084 0.000 1.066 521 V CA -0.362 61.978 62.300 0.067 0.000 0.857 521 V CB 0.083 31.901 31.823 -0.008 0.000 1.099 521 V HN 0.307 nan 8.190 nan 0.000 0.476 522 R N 2.064 122.650 120.500 0.142 0.000 2.885 522 R HA 0.933 5.274 4.340 0.001 0.000 0.260 522 R C -0.138 176.257 176.300 0.159 0.000 1.107 522 R CA -0.754 55.420 56.100 0.123 0.000 0.978 522 R CB 2.269 32.610 30.300 0.068 0.000 1.227 522 R HN 0.790 nan 8.270 nan 0.000 0.473 523 G N 1.035 109.881 108.800 0.076 0.000 2.379 523 G HA2 0.014 3.974 3.960 0.001 0.000 0.609 523 G HA3 0.014 3.974 3.960 0.001 0.000 0.609 523 G C -3.112 171.739 174.900 -0.082 0.000 1.484 523 G CA -1.153 43.938 45.100 -0.016 0.000 0.921 523 G HN 0.377 nan 8.290 nan 0.000 0.658 524 P HA 0.236 nan 4.420 nan 0.000 0.279 524 P C 1.006 178.056 177.300 -0.417 0.000 1.318 524 P CA -0.365 62.419 63.100 -0.526 0.000 0.819 524 P CB 1.444 32.698 31.700 -0.744 0.000 0.927 525 L N 4.561 125.634 121.223 -0.251 0.000 2.145 525 L HA 0.153 4.493 4.340 0.001 0.000 0.201 525 L C 0.714 177.598 176.870 0.024 0.000 1.075 525 L CA 0.391 55.200 54.840 -0.051 0.000 0.773 525 L CB -0.317 41.753 42.059 0.019 0.000 0.936 525 L HN 0.298 nan 8.230 nan 0.000 0.451 526 F N 0.496 120.415 119.950 -0.052 0.000 2.284 526 F HA -0.219 4.309 4.527 0.001 0.000 0.197 526 F C -0.366 175.389 175.800 -0.075 0.000 1.023 526 F CA -0.288 57.677 58.000 -0.059 0.000 0.858 526 F CB -0.672 38.311 39.000 -0.027 0.000 0.933 526 F HN 0.041 nan 8.300 nan 0.000 0.803 527 V N 2.854 122.790 119.914 0.036 0.000 2.752 527 V HA 0.579 4.699 4.120 0.001 0.000 0.302 527 V C -0.298 175.767 176.094 -0.048 0.000 1.133 527 V CA -0.012 62.272 62.300 -0.027 0.000 0.919 527 V CB 2.578 34.345 31.823 -0.093 0.000 1.026 527 V HN 0.422 nan 8.190 nan 0.000 0.429 528 T N 5.465 120.067 114.554 0.080 0.000 2.912 528 T HA 0.803 5.154 4.350 0.001 0.000 0.288 528 T C -1.040 173.800 174.700 0.233 0.000 1.030 528 T CA -0.550 61.636 62.100 0.143 0.000 1.020 528 T CB 1.880 70.798 68.868 0.084 0.000 1.056 528 T HN 0.613 nan 8.240 nan 0.000 0.480 529 V N 2.846 122.924 119.914 0.272 0.000 2.612 529 V HA 0.437 4.558 4.120 0.001 0.000 0.301 529 V C -0.704 175.511 176.094 0.202 0.000 1.059 529 V CA -0.975 61.475 62.300 0.249 0.000 0.886 529 V CB 1.935 33.912 31.823 0.257 0.000 1.007 529 V HN 0.745 nan 8.190 nan 0.000 0.426 530 K N 3.076 123.600 120.400 0.207 0.000 2.207 530 K HA 0.920 5.240 4.320 0.001 0.000 0.255 530 K C -0.530 176.198 176.600 0.212 0.000 0.941 530 K CA -0.539 55.864 56.287 0.194 0.000 0.825 530 K CB 2.652 35.262 32.500 0.184 0.000 1.119 530 K HN 0.812 nan 8.250 nan 0.000 0.430 531 A N 2.607 125.519 122.820 0.153 0.000 2.414 531 A HA 0.495 4.815 4.320 0.001 0.000 0.306 531 A C -1.349 176.296 177.584 0.101 0.000 1.054 531 A CA -0.759 51.343 52.037 0.109 0.000 0.724 531 A CB 1.166 20.212 19.000 0.076 0.000 1.267 531 A HN 0.761 nan 8.150 nan 0.000 0.418 532 E N 1.545 121.793 120.200 0.080 0.000 2.241 532 E HA 0.494 4.844 4.350 0.001 0.000 0.263 532 E C -0.880 175.742 176.600 0.037 0.000 0.882 532 E CA -0.392 56.051 56.400 0.072 0.000 0.769 532 E CB 2.282 32.046 29.700 0.106 0.000 1.185 532 E HN 0.714 nan 8.360 nan 0.000 0.415 533 I N -0.766 119.824 120.570 0.033 0.000 2.562 533 I HA 0.609 4.780 4.170 0.001 0.000 0.301 533 I C -0.364 175.764 176.117 0.019 0.000 1.003 533 I CA -0.558 60.754 61.300 0.021 0.000 1.127 533 I CB 1.622 39.635 38.000 0.022 0.000 1.304 533 I HN 0.425 nan 8.210 nan 0.000 0.446 534 E N 0.000 120.207 120.200 0.011 0.000 2.725 534 E HA 0.000 4.351 4.350 0.001 0.000 0.291 534 E CA 0.000 56.406 56.400 0.010 0.000 0.976 534 E CB 0.000 29.706 29.700 0.009 0.000 0.812 534 E HN 0.000 nan 8.360 nan 0.000 0.440