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 1miy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKPPFQEALG IIQQLKQHGY DAYFVGGAVR DLLLGRPIGD VDIATSALPE DATA SEQUENCE DVMAIFPKTI DVGSKHGTVV VVHKGKAYEV TTFKTDGXXX XXXXXXSVTF DATA SEQUENCE VRSLEEDLKR RDFTMNAIAM DEYGTIIDPF GGREAIRRRI IRTVGEAEKR DATA SEQUENCE FREDALRMMR AVRFVSELGF ALAPDTEQAI VQNAPLLAHI SVERMTMEME DATA SEQUENCE KLLGGPFAAR ALPLLAETGL NAYLPGLAGK EKQLRLAAAY RWPWLAAREE DATA SEQUENCE RWALLCHALG VQESRPFLRA WKLPNKVVDE AGAILTALAD IPRPEAWTNE DATA SEQUENCE QLFSAGLERA LSVETVRAAF TGAPPGPWHE KLRRRFASLP IKTKGELAVN DATA SEQUENCE GKDVIEWVGK PAGPWVKEAL DAIWRAVVNG EVENEKERIY AWLMERNRTR DATA SEQUENCE EKNC 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 0.000 176.348 176.300 0.079 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.647 32.600 0.078 0.000 1.302 2 K N 4.915 125.382 120.400 0.111 0.000 2.412 2 K HA 0.269 4.590 4.320 0.001 0.000 0.281 2 K C -1.936 174.772 176.600 0.180 0.000 1.027 2 K CA -1.271 55.117 56.287 0.168 0.000 0.989 2 K CB 0.353 32.999 32.500 0.243 0.000 0.935 2 K HN 0.363 nan 8.250 nan 0.000 0.475 3 P HA -0.180 nan 4.420 nan 0.000 0.218 3 P C -1.513 175.813 177.300 0.043 0.000 1.152 3 P CA 1.407 64.550 63.100 0.072 0.000 0.857 3 P CB -0.562 31.165 31.700 0.045 0.000 0.787 4 P HA -0.208 nan 4.420 nan 0.000 0.214 4 P C 1.213 178.363 177.300 -0.251 0.000 1.172 4 P CA 1.626 64.603 63.100 -0.206 0.000 0.925 4 P CB -0.611 30.829 31.700 -0.432 0.000 0.793 5 F N -1.778 118.077 119.950 -0.157 0.000 2.416 5 F HA -0.026 4.501 4.527 0.001 0.000 0.296 5 F C 2.689 178.490 175.800 0.002 0.000 1.099 5 F CA 0.568 58.385 58.000 -0.304 0.000 1.427 5 F CB -1.196 37.387 39.000 -0.695 0.000 1.079 5 F HN -0.135 nan 8.300 nan 0.000 0.536 6 Q N 1.476 121.403 119.800 0.211 0.000 1.978 6 Q HA -0.286 4.055 4.340 0.001 0.000 0.211 6 Q C 1.889 177.979 176.000 0.150 0.000 1.013 6 Q CA 2.601 58.503 55.803 0.165 0.000 0.869 6 Q CB -0.405 28.402 28.738 0.115 0.000 0.953 6 Q HN 0.516 nan 8.270 nan 0.000 0.415 7 E N -0.503 119.768 120.200 0.118 0.000 2.160 7 E HA -0.147 4.203 4.350 0.001 0.000 0.195 7 E C 1.720 178.403 176.600 0.139 0.000 0.991 7 E CA 1.109 57.573 56.400 0.106 0.000 0.810 7 E CB -0.323 29.432 29.700 0.092 0.000 0.742 7 E HN 0.480 nan 8.360 nan 0.000 0.466 8 A N 0.817 123.695 122.820 0.097 0.000 2.168 8 A HA -0.031 4.290 4.320 0.001 0.000 0.215 8 A C 1.965 179.628 177.584 0.132 0.000 1.152 8 A CA 0.335 52.309 52.037 -0.105 0.000 0.716 8 A CB -0.244 18.690 19.000 -0.110 0.000 0.794 8 A HN 0.153 nan 8.150 nan 0.000 0.465 9 L N 0.221 121.598 121.223 0.258 0.000 2.083 9 L HA -0.070 4.271 4.340 0.001 0.000 0.209 9 L C 2.434 179.319 176.870 0.024 0.000 1.083 9 L CA 1.920 56.873 54.840 0.188 0.000 0.752 9 L CB -1.323 40.843 42.059 0.178 0.000 0.899 9 L HN 0.358 nan 8.230 nan 0.000 0.433 10 G N 0.186 109.037 108.800 0.086 0.000 2.553 10 G HA2 -0.316 3.645 3.960 0.001 0.000 0.218 10 G HA3 -0.316 3.645 3.960 0.001 0.000 0.218 10 G C 1.582 176.389 174.900 -0.154 0.000 1.195 10 G CA 1.180 46.292 45.100 0.019 0.000 0.779 10 G HN 0.361 nan 8.290 nan 0.000 0.577 11 I N 1.666 122.016 120.570 -0.367 0.000 2.121 11 I HA -0.263 3.908 4.170 0.001 0.000 0.243 11 I C 2.881 178.941 176.117 -0.095 0.000 1.047 11 I CA 1.445 62.561 61.300 -0.307 0.000 1.308 11 I CB -1.239 36.465 38.000 -0.494 0.000 1.015 11 I HN 0.248 nan 8.210 nan 0.000 0.410 12 I N 0.103 120.549 120.570 -0.207 0.000 2.090 12 I HA -0.326 3.845 4.170 0.001 0.000 0.236 12 I C 2.649 178.678 176.117 -0.148 0.000 1.064 12 I CA 1.534 62.688 61.300 -0.242 0.000 1.324 12 I CB -1.107 36.647 38.000 -0.410 0.000 1.044 12 I HN 0.298 nan 8.210 nan 0.000 0.399 13 Q N 0.724 120.445 119.800 -0.131 0.000 2.029 13 Q HA -0.302 4.039 4.340 0.001 0.000 0.209 13 Q C 2.354 178.329 176.000 -0.041 0.000 0.999 13 Q CA 2.237 57.987 55.803 -0.088 0.000 0.857 13 Q CB -0.197 28.506 28.738 -0.058 0.000 0.926 13 Q HN 0.484 nan 8.270 nan 0.000 0.415 14 Q N -0.278 119.503 119.800 -0.031 0.000 2.181 14 Q HA -0.163 4.177 4.340 0.001 0.000 0.205 14 Q C 2.024 178.004 176.000 -0.033 0.000 0.980 14 Q CA 0.926 56.698 55.803 -0.052 0.000 0.862 14 Q CB -0.035 28.586 28.738 -0.195 0.000 0.905 14 Q HN 0.421 nan 8.270 nan 0.000 0.429 15 L N -0.031 121.186 121.223 -0.009 0.000 2.240 15 L HA -0.128 4.213 4.340 0.001 0.000 0.211 15 L C 2.261 179.195 176.870 0.106 0.000 1.106 15 L CA 0.813 55.674 54.840 0.035 0.000 0.793 15 L CB -0.046 42.017 42.059 0.007 0.000 0.927 15 L HN 0.094 nan 8.230 nan 0.000 0.446 16 K N -0.487 119.926 120.400 0.022 0.000 2.076 16 K HA -0.121 4.199 4.320 0.001 0.000 0.204 16 K C 2.073 178.688 176.600 0.024 0.000 1.051 16 K CA 0.942 57.231 56.287 0.005 0.000 0.949 16 K CB 0.101 32.566 32.500 -0.059 0.000 0.726 16 K HN 0.312 nan 8.250 nan 0.000 0.443 17 Q N -0.246 119.575 119.800 0.036 0.000 2.084 17 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 17 Q C 1.073 177.056 176.000 -0.029 0.000 0.978 17 Q CA 1.093 56.897 55.803 0.002 0.000 0.844 17 Q CB 0.044 28.782 28.738 -0.001 0.000 0.898 17 Q HN 0.411 nan 8.270 nan 0.000 0.426 18 H N -0.431 118.618 119.070 -0.034 0.000 2.682 18 H HA 0.088 4.644 4.556 0.001 0.000 0.293 18 H C 0.425 175.633 175.328 -0.199 0.000 1.080 18 H CA 0.355 56.380 56.048 -0.039 0.000 1.189 18 H CB -0.316 29.512 29.762 0.110 0.000 1.311 18 H HN 0.422 nan 8.280 nan 0.000 0.599 19 G N 0.726 109.471 108.800 -0.091 0.000 2.372 19 G HA2 -0.323 3.638 3.960 0.001 0.000 0.297 19 G HA3 -0.323 3.638 3.960 0.001 0.000 0.297 19 G C 0.020 174.725 174.900 -0.325 0.000 1.005 19 G CA 0.500 45.483 45.100 -0.194 0.000 1.173 19 G HN 0.573 nan 8.290 nan 0.000 0.511 20 Y N -0.724 119.565 120.300 -0.018 0.000 2.585 20 Y HA 0.298 4.849 4.550 0.001 0.000 0.272 20 Y C 1.156 177.021 175.900 -0.057 0.000 1.119 20 Y CA 0.295 58.368 58.100 -0.046 0.000 1.255 20 Y CB 0.843 39.258 38.460 -0.074 0.000 1.284 20 Y HN 0.480 nan 8.280 nan 0.000 0.499 21 D N 0.314 120.759 120.400 0.074 0.000 8.956 21 D HA 0.007 4.648 4.640 0.001 0.000 0.275 21 D C -0.850 175.403 176.300 -0.078 0.000 2.495 21 D CA 0.719 54.714 54.000 -0.009 0.000 2.321 21 D CB -0.326 40.550 40.800 0.127 0.000 0.956 21 D HN 0.401 nan 8.370 nan 0.000 0.669 22 A N 2.707 125.332 122.820 -0.325 0.000 2.539 22 A HA 0.810 5.130 4.320 0.001 0.000 0.296 22 A C -1.518 175.642 177.584 -0.705 0.000 1.073 22 A CA -0.692 51.171 52.037 -0.291 0.000 0.700 22 A CB 1.328 20.198 19.000 -0.217 0.000 1.296 22 A HN 0.358 nan 8.150 nan 0.000 0.405 23 Y N -0.821 119.504 120.300 0.042 0.000 2.576 23 Y HA 0.603 5.154 4.550 0.001 0.000 0.346 23 Y C -0.428 175.457 175.900 -0.025 0.000 1.018 23 Y CA -0.930 57.161 58.100 -0.014 0.000 1.050 23 Y CB 1.549 40.074 38.460 0.108 0.000 1.280 23 Y HN 0.602 nan 8.280 nan 0.000 0.474 24 F N 2.416 122.539 119.950 0.288 0.000 2.456 24 F HA 0.490 5.018 4.527 0.002 0.000 0.358 24 F C 0.170 176.126 175.800 0.260 0.000 1.095 24 F CA -0.489 57.677 58.000 0.277 0.000 1.216 24 F CB 0.647 39.840 39.000 0.322 0.000 1.125 24 F HN 0.179 nan 8.300 nan 0.000 0.549 25 V N 0.687 120.857 119.914 0.426 0.000 3.007 25 V HA 1.015 5.135 4.120 0.001 0.000 0.311 25 V C -0.045 176.188 176.094 0.231 0.000 1.120 25 V CA -0.437 62.029 62.300 0.277 0.000 0.980 25 V CB 0.902 32.856 31.823 0.219 0.000 1.033 25 V HN 1.193 nan 8.190 nan 0.000 0.429 26 G N 1.974 110.875 108.800 0.168 0.000 2.512 26 G HA2 0.207 4.168 3.960 0.001 0.000 0.210 26 G HA3 0.207 4.168 3.960 0.001 0.000 0.210 26 G C 0.709 175.687 174.900 0.130 0.000 1.295 26 G CA 0.003 45.183 45.100 0.134 0.000 0.934 26 G HN 1.957 nan 8.290 nan 0.000 0.554 27 G N -0.029 108.839 108.800 0.114 0.000 2.440 27 G HA2 0.229 4.190 3.960 0.001 0.000 0.218 27 G HA3 0.229 4.190 3.960 0.001 0.000 0.218 27 G C 2.261 177.226 174.900 0.108 0.000 1.154 27 G CA 3.119 48.276 45.100 0.094 0.000 0.767 27 G HN 2.118 nan 8.290 nan 0.000 0.552 28 A N -0.033 122.857 122.820 0.117 0.000 2.009 28 A HA -0.086 4.234 4.320 0.001 0.000 0.222 28 A C 2.569 180.325 177.584 0.288 0.000 1.175 28 A CA 2.360 54.469 52.037 0.120 0.000 0.651 28 A CB -0.539 18.491 19.000 0.050 0.000 0.815 28 A HN 0.358 nan 8.150 nan 0.000 0.459 29 V N -0.564 119.508 119.914 0.262 0.000 2.331 29 V HA -0.141 3.980 4.120 0.001 0.000 0.242 29 V C 2.465 178.647 176.094 0.146 0.000 1.034 29 V CA 1.600 64.032 62.300 0.220 0.000 1.027 29 V CB -0.873 31.059 31.823 0.180 0.000 0.667 29 V HN 0.678 nan 8.190 nan 0.000 0.457 30 R N 0.825 121.396 120.500 0.118 0.000 2.171 30 R HA -0.287 4.054 4.340 0.001 0.000 0.232 30 R C 2.059 178.417 176.300 0.096 0.000 1.116 30 R CA 2.808 58.961 56.100 0.087 0.000 0.901 30 R CB -0.812 29.510 30.300 0.038 0.000 0.850 30 R HN 0.504 nan 8.270 nan 0.000 0.431 31 D N 0.699 121.153 120.400 0.090 0.000 2.149 31 D HA -0.222 4.418 4.640 0.001 0.000 0.194 31 D C 1.857 178.223 176.300 0.110 0.000 1.001 31 D CA 1.451 55.504 54.000 0.089 0.000 0.849 31 D CB -0.471 40.373 40.800 0.073 0.000 0.939 31 D HN 0.274 nan 8.370 nan 0.000 0.449 32 L N 0.299 121.610 121.223 0.147 0.000 1.994 32 L HA -0.114 4.226 4.340 0.001 0.000 0.208 32 L C 2.097 179.026 176.870 0.099 0.000 1.071 32 L CA 1.490 56.419 54.840 0.150 0.000 0.745 32 L CB -0.744 41.434 42.059 0.199 0.000 0.892 32 L HN 0.034 nan 8.230 nan 0.000 0.431 33 L N -1.263 120.015 121.223 0.091 0.000 1.937 33 L HA -0.221 4.120 4.340 0.001 0.000 0.213 33 L C 2.525 179.449 176.870 0.090 0.000 1.077 33 L CA 1.307 56.193 54.840 0.077 0.000 0.758 33 L CB -0.946 41.159 42.059 0.077 0.000 0.888 33 L HN 0.307 nan 8.230 nan 0.000 0.433 34 L N 0.772 122.065 121.223 0.117 0.000 2.151 34 L HA -0.244 4.096 4.340 0.001 0.000 0.219 34 L C 1.335 178.274 176.870 0.115 0.000 1.083 34 L CA 2.092 57.019 54.840 0.145 0.000 0.782 34 L CB -1.113 41.048 42.059 0.171 0.000 0.891 34 L HN 0.607 nan 8.230 nan 0.000 0.439 35 G N -1.087 107.772 108.800 0.098 0.000 2.165 35 G HA2 -0.265 3.696 3.960 0.001 0.000 0.226 35 G HA3 -0.265 3.696 3.960 0.001 0.000 0.226 35 G C 0.395 175.346 174.900 0.085 0.000 1.035 35 G CA 0.193 45.344 45.100 0.085 0.000 0.744 35 G HN 0.472 nan 8.290 nan 0.000 0.501 36 R N -0.042 120.510 120.500 0.087 0.000 2.549 36 R HA 0.489 4.830 4.340 0.001 0.000 0.267 36 R C -2.230 174.106 176.300 0.060 0.000 1.045 36 R CA -1.849 54.296 56.100 0.075 0.000 1.115 36 R CB 0.497 30.839 30.300 0.071 0.000 1.121 36 R HN 0.054 nan 8.270 nan 0.000 0.543 37 P HA -0.036 nan 4.420 nan 0.000 0.262 37 P C -0.562 176.751 177.300 0.020 0.000 1.182 37 P CA 0.616 63.734 63.100 0.029 0.000 0.761 37 P CB 0.292 32.004 31.700 0.020 0.000 0.795 38 I N 2.699 123.271 120.570 0.004 0.000 2.396 38 I HA 0.153 4.324 4.170 0.001 0.000 0.289 38 I C 1.615 177.697 176.117 -0.058 0.000 1.056 38 I CA 0.015 61.300 61.300 -0.025 0.000 1.365 38 I CB 0.713 38.678 38.000 -0.058 0.000 1.407 38 I HN 0.443 nan 8.210 nan 0.000 0.509 39 G N 5.223 113.999 108.800 -0.040 0.000 2.711 39 G HA2 -0.001 3.960 3.960 0.001 0.000 0.186 39 G HA3 -0.001 3.960 3.960 0.001 0.000 0.186 39 G C -0.217 174.640 174.900 -0.071 0.000 1.635 39 G CA -0.263 44.813 45.100 -0.040 0.000 1.065 39 G HN 0.518 nan 8.290 nan 0.000 0.545 40 D N 0.090 120.463 120.400 -0.045 0.000 2.417 40 D HA 0.317 4.957 4.640 0.001 0.000 0.250 40 D C 0.251 176.529 176.300 -0.036 0.000 1.166 40 D CA 0.000 53.971 54.000 -0.049 0.000 0.881 40 D CB 1.409 42.200 40.800 -0.015 0.000 1.164 40 D HN -0.009 nan 8.370 nan 0.000 0.467 41 V N 3.677 123.571 119.914 -0.035 0.000 2.508 41 V HA 0.101 4.222 4.120 0.001 0.000 0.281 41 V C 0.283 176.496 176.094 0.197 0.000 1.041 41 V CA -0.101 62.209 62.300 0.016 0.000 1.016 41 V CB 1.149 32.985 31.823 0.022 0.000 0.984 41 V HN 0.414 nan 8.190 nan 0.000 0.478 42 D N 3.931 124.457 120.400 0.211 0.000 2.248 42 D HA 0.664 5.305 4.640 0.001 0.000 0.246 42 D C -0.599 175.877 176.300 0.293 0.000 1.027 42 D CA -0.161 53.973 54.000 0.224 0.000 0.853 42 D CB 2.093 42.996 40.800 0.172 0.000 1.243 42 D HN 0.364 nan 8.370 nan 0.000 0.462 43 I N 1.448 122.142 120.570 0.206 0.000 2.466 43 I HA 0.581 4.752 4.170 0.001 0.000 0.289 43 I C -0.639 175.554 176.117 0.126 0.000 1.026 43 I CA -0.738 60.654 61.300 0.154 0.000 1.078 43 I CB 1.899 39.909 38.000 0.016 0.000 1.249 43 I HN 0.338 nan 8.210 nan 0.000 0.429 44 A N 4.244 127.195 122.820 0.218 0.000 2.342 44 A HA 0.871 5.192 4.320 0.001 0.000 0.323 44 A C -0.473 177.306 177.584 0.324 0.000 1.125 44 A CA -0.458 51.763 52.037 0.306 0.000 0.785 44 A CB 1.789 21.075 19.000 0.478 0.000 1.221 44 A HN 0.594 nan 8.150 nan 0.000 0.463 45 T N -0.546 113.892 114.554 -0.193 0.000 2.865 45 T HA 0.462 4.813 4.350 0.001 0.000 0.294 45 T C 1.142 175.001 174.700 -1.402 0.000 1.119 45 T CA 0.345 62.069 62.100 -0.626 0.000 1.007 45 T CB 1.488 70.172 68.868 -0.307 0.000 1.225 45 T HN 1.313 nan 8.240 nan 0.000 0.515 46 S N 0.945 116.060 115.700 -0.975 0.000 2.528 46 S HA 0.369 4.840 4.470 0.001 0.000 0.219 46 S C 0.938 175.380 174.600 -0.263 0.000 0.985 46 S CA 0.214 58.057 58.200 -0.594 0.000 0.914 46 S CB -0.230 62.901 63.200 -0.116 0.000 0.776 46 S HN 0.933 nan 8.310 nan 0.000 0.526 47 A N 2.276 124.894 122.820 -0.337 0.000 2.404 47 A HA 0.564 4.884 4.320 0.001 0.000 0.273 47 A C 0.286 177.602 177.584 -0.448 0.000 1.144 47 A CA -0.574 51.126 52.037 -0.563 0.000 0.806 47 A CB -0.166 18.152 19.000 -1.137 0.000 1.080 47 A HN 0.578 nan 8.150 nan 0.000 0.509 48 L N 3.855 124.866 121.223 -0.354 0.000 2.482 48 L HA 0.104 4.445 4.340 0.001 0.000 0.273 48 L C -1.185 175.481 176.870 -0.339 0.000 1.228 48 L CA -1.343 53.278 54.840 -0.365 0.000 0.827 48 L CB 0.222 42.126 42.059 -0.258 0.000 1.099 48 L HN 0.502 nan 8.230 nan 0.000 0.494 49 P HA -0.222 nan 4.420 nan 0.000 0.218 49 P C 0.989 178.182 177.300 -0.178 0.000 1.154 49 P CA 1.365 64.320 63.100 -0.242 0.000 0.872 49 P CB 0.213 31.776 31.700 -0.229 0.000 0.790 50 E N -0.852 119.251 120.200 -0.161 0.000 2.110 50 E HA -0.162 4.189 4.350 0.001 0.000 0.193 50 E C 1.775 178.303 176.600 -0.121 0.000 0.988 50 E CA 1.151 57.486 56.400 -0.109 0.000 0.804 50 E CB -0.845 28.809 29.700 -0.075 0.000 0.745 50 E HN 0.315 nan 8.360 nan 0.000 0.458 51 D N -0.164 120.129 120.400 -0.179 0.000 2.144 51 D HA -0.096 4.545 4.640 0.001 0.000 0.200 51 D C 1.902 178.037 176.300 -0.275 0.000 0.978 51 D CA 0.900 54.756 54.000 -0.241 0.000 0.833 51 D CB 0.027 40.570 40.800 -0.428 0.000 0.961 51 D HN 0.079 nan 8.370 nan 0.000 0.470 52 V N 1.009 120.788 119.914 -0.225 0.000 2.548 52 V HA -0.153 3.968 4.120 0.001 0.000 0.249 52 V C 2.412 178.543 176.094 0.062 0.000 1.055 52 V CA 1.004 63.275 62.300 -0.048 0.000 1.065 52 V CB -0.407 31.377 31.823 -0.064 0.000 0.681 52 V HN 0.198 nan 8.190 nan 0.000 0.462 53 M N -0.100 119.483 119.600 -0.029 0.000 2.492 53 M HA 0.037 4.517 4.480 0.001 0.000 0.262 53 M C 2.216 178.500 176.300 -0.026 0.000 1.090 53 M CA 1.445 56.739 55.300 -0.009 0.000 1.110 53 M CB -0.376 32.204 32.600 -0.033 0.000 1.407 53 M HN 0.422 nan 8.290 nan 0.000 0.470 54 A N 0.641 123.416 122.820 -0.074 0.000 1.903 54 A HA 0.039 4.359 4.320 0.001 0.000 0.213 54 A C 2.005 179.490 177.584 -0.165 0.000 1.185 54 A CA 0.748 52.730 52.037 -0.093 0.000 0.628 54 A CB -0.385 18.564 19.000 -0.085 0.000 0.830 54 A HN 0.371 nan 8.150 nan 0.000 0.446 55 I N -1.325 119.061 120.570 -0.306 0.000 2.233 55 I HA -0.072 4.099 4.170 0.001 0.000 0.243 55 I C 0.071 175.818 176.117 -0.617 0.000 1.093 55 I CA 0.540 61.464 61.300 -0.628 0.000 1.380 55 I CB -0.155 37.214 38.000 -1.050 0.000 1.067 55 I HN 0.176 nan 8.210 nan 0.000 0.413 56 F N 0.736 120.602 119.950 -0.141 0.000 2.404 56 F HA 0.275 4.803 4.527 0.001 0.000 0.339 56 F C -1.409 174.363 175.800 -0.047 0.000 1.105 56 F CA -2.220 55.729 58.000 -0.086 0.000 1.087 56 F CB -0.098 38.849 39.000 -0.089 0.000 1.143 56 F HN -0.248 nan 8.300 nan 0.000 0.491 57 P HA -0.163 nan 4.420 nan 0.000 0.208 57 P C -0.146 177.205 177.300 0.085 0.000 1.195 57 P CA 1.055 64.205 63.100 0.084 0.000 0.927 57 P CB 0.140 31.888 31.700 0.079 0.000 0.778 58 K N 0.532 120.989 120.400 0.095 0.000 2.349 58 K HA 0.247 4.568 4.320 0.001 0.000 0.288 58 K C -0.931 175.703 176.600 0.056 0.000 1.058 58 K CA 0.471 56.795 56.287 0.063 0.000 0.953 58 K CB -0.627 31.904 32.500 0.051 0.000 0.997 58 K HN 0.017 nan 8.250 nan 0.000 0.477 59 T N 5.583 120.155 114.554 0.031 0.000 3.050 59 T HA 0.413 4.764 4.350 0.001 0.000 0.310 59 T C -0.221 174.476 174.700 -0.005 0.000 0.978 59 T CA -0.613 61.494 62.100 0.012 0.000 1.013 59 T CB 0.149 69.028 68.868 0.020 0.000 1.000 59 T HN 0.408 nan 8.240 nan 0.000 0.447 60 I N 2.453 123.014 120.570 -0.015 0.000 2.315 60 I HA 0.265 4.435 4.170 0.001 0.000 0.291 60 I C 0.228 176.331 176.117 -0.024 0.000 1.006 60 I CA -0.623 60.667 61.300 -0.017 0.000 1.265 60 I CB 0.948 38.939 38.000 -0.015 0.000 1.387 60 I HN 0.549 nan 8.210 nan 0.000 0.475 61 D N 6.746 127.131 120.400 -0.024 0.000 2.483 61 D HA 0.136 4.777 4.640 0.001 0.000 0.220 61 D C 0.907 177.191 176.300 -0.027 0.000 1.173 61 D CA -0.085 53.895 54.000 -0.033 0.000 0.964 61 D CB 1.210 41.989 40.800 -0.035 0.000 1.046 61 D HN 0.319 nan 8.370 nan 0.000 0.517 62 V N 2.255 122.156 119.914 -0.021 0.000 2.488 62 V HA 0.161 4.282 4.120 0.001 0.000 0.246 62 V C 1.490 177.587 176.094 0.005 0.000 1.046 62 V CA 1.096 63.398 62.300 0.004 0.000 1.053 62 V CB 0.080 31.915 31.823 0.021 0.000 0.679 62 V HN 0.685 nan 8.190 nan 0.000 0.458 63 G N -0.091 108.673 108.800 -0.061 0.000 4.314 63 G HA2 0.205 4.165 3.960 0.001 0.000 0.249 63 G HA3 0.205 4.165 3.960 0.001 0.000 0.249 63 G C 0.414 175.085 174.900 -0.382 0.000 3.443 63 G CA 0.345 45.297 45.100 -0.245 0.000 0.602 63 G HN 0.247 nan 8.290 nan 0.000 0.241 64 S N 0.494 116.060 115.700 -0.223 0.000 2.595 64 S HA -0.074 4.397 4.470 0.001 0.000 0.235 64 S C 2.012 176.518 174.600 -0.157 0.000 0.974 64 S CA 0.798 58.894 58.200 -0.174 0.000 0.942 64 S CB -0.053 63.077 63.200 -0.117 0.000 0.766 64 S HN 0.562 nan 8.310 nan 0.000 0.536 65 K N 1.550 121.782 120.400 -0.280 0.000 2.366 65 K HA -0.071 4.250 4.320 0.001 0.000 0.198 65 K C 0.429 177.005 176.600 -0.039 0.000 1.044 65 K CA 1.228 57.421 56.287 -0.156 0.000 0.973 65 K CB -0.570 31.855 32.500 -0.126 0.000 0.767 65 K HN 0.850 nan 8.250 nan 0.000 0.475 66 H N -2.405 116.764 119.070 0.165 0.000 2.885 66 H HA 0.443 5.000 4.556 0.001 0.000 0.254 66 H C 0.905 176.377 175.328 0.239 0.000 1.185 66 H CA -0.099 56.066 56.048 0.196 0.000 1.029 66 H CB 1.129 30.953 29.762 0.103 0.000 1.743 66 H HN 0.260 nan 8.280 nan 0.000 0.632 67 G N 0.445 109.355 108.800 0.183 0.000 2.491 67 G HA2 -0.284 3.677 3.960 0.001 0.000 0.203 67 G HA3 -0.284 3.677 3.960 0.001 0.000 0.203 67 G C 0.464 175.339 174.900 -0.042 0.000 1.052 67 G CA -0.104 45.029 45.100 0.055 0.000 0.675 67 G HN 0.437 nan 8.290 nan 0.000 0.504 68 T N 1.397 115.970 114.554 0.032 0.000 2.907 68 T HA 0.552 4.903 4.350 0.001 0.000 0.298 68 T C -0.164 174.512 174.700 -0.040 0.000 1.017 68 T CA 0.380 62.489 62.100 0.015 0.000 1.118 68 T CB 2.286 71.203 68.868 0.081 0.000 0.948 68 T HN 0.760 nan 8.240 nan 0.000 0.531 69 V N 3.065 122.949 119.914 -0.051 0.000 2.760 69 V HA 0.346 4.467 4.120 0.001 0.000 0.309 69 V C -0.304 175.758 176.094 -0.053 0.000 1.077 69 V CA -0.915 61.347 62.300 -0.064 0.000 0.910 69 V CB 2.324 34.091 31.823 -0.093 0.000 1.008 69 V HN 0.686 nan 8.190 nan 0.000 0.424 70 V N 5.012 124.901 119.914 -0.041 0.000 2.406 70 V HA 0.365 4.486 4.120 0.001 0.000 0.272 70 V C -0.125 175.935 176.094 -0.058 0.000 1.043 70 V CA -0.336 61.942 62.300 -0.036 0.000 0.915 70 V CB 1.715 33.524 31.823 -0.023 0.000 0.988 70 V HN 0.622 nan 8.190 nan 0.000 0.466 71 V N 6.318 126.184 119.914 -0.080 0.000 2.311 71 V HA 0.269 4.390 4.120 0.001 0.000 0.275 71 V C 0.085 176.172 176.094 -0.012 0.000 1.022 71 V CA -0.663 61.548 62.300 -0.148 0.000 0.830 71 V CB 1.531 33.057 31.823 -0.494 0.000 1.012 71 V HN 0.601 nan 8.190 nan 0.000 0.452 72 V N 5.134 125.059 119.914 0.018 0.000 2.421 72 V HA 0.163 4.284 4.120 0.001 0.000 0.271 72 V C -0.002 176.197 176.094 0.174 0.000 1.031 72 V CA 0.048 62.393 62.300 0.075 0.000 1.032 72 V CB -0.126 31.719 31.823 0.037 0.000 1.009 72 V HN 0.888 nan 8.190 nan 0.000 0.477 73 H N 5.087 124.240 119.070 0.137 0.000 2.589 73 H HA 0.363 4.920 4.556 0.001 0.000 0.335 73 H C 0.483 175.926 175.328 0.192 0.000 1.019 73 H CA -1.111 55.035 56.048 0.164 0.000 1.213 73 H CB 0.744 30.583 29.762 0.127 0.000 1.472 73 H HN 0.606 nan 8.280 nan 0.000 0.508 74 K N 3.589 123.864 120.400 -0.208 0.000 3.048 74 K HA -0.234 4.087 4.320 0.001 0.000 0.274 74 K C 0.517 177.063 176.600 -0.090 0.000 1.098 74 K CA 1.129 57.270 56.287 -0.244 0.000 0.807 74 K CB -1.417 30.787 32.500 -0.494 0.000 1.217 74 K HN 1.173 nan 8.250 nan 0.000 0.477 75 G N -0.228 108.555 108.800 -0.030 0.000 2.135 75 G HA2 -0.231 3.730 3.960 0.001 0.000 0.183 75 G HA3 -0.231 3.730 3.960 0.001 0.000 0.183 75 G C -0.184 174.682 174.900 -0.056 0.000 1.004 75 G CA 0.409 45.491 45.100 -0.031 0.000 0.677 75 G HN 0.261 nan 8.290 nan 0.000 0.512 76 K N -0.898 119.463 120.400 -0.065 0.000 2.399 76 K HA 0.858 5.179 4.320 0.001 0.000 0.260 76 K C -0.616 175.826 176.600 -0.264 0.000 1.049 76 K CA -0.483 55.663 56.287 -0.235 0.000 0.890 76 K CB 1.847 34.058 32.500 -0.481 0.000 1.430 76 K HN 0.886 nan 8.250 nan 0.000 0.459 77 A N 1.380 123.949 122.820 -0.418 0.000 2.293 77 A HA 0.605 4.926 4.320 0.001 0.000 0.312 77 A C -1.559 175.805 177.584 -0.366 0.000 1.309 77 A CA -0.560 51.313 52.037 -0.274 0.000 0.839 77 A CB -0.082 18.823 19.000 -0.159 0.000 1.155 77 A HN 0.554 nan 8.150 nan 0.000 0.501 78 Y N 0.373 120.646 120.300 -0.045 0.000 2.409 78 Y HA 0.455 5.005 4.550 0.001 0.000 0.339 78 Y C 0.593 176.454 175.900 -0.064 0.000 1.033 78 Y CA -0.720 57.355 58.100 -0.043 0.000 1.094 78 Y CB 1.676 40.117 38.460 -0.033 0.000 1.210 78 Y HN 0.639 nan 8.280 nan 0.000 0.456 79 E N 2.231 122.503 120.200 0.121 0.000 1.993 79 E HA 0.307 4.658 4.350 0.001 0.000 0.271 79 E C -1.227 175.401 176.600 0.048 0.000 1.008 79 E CA -0.400 56.035 56.400 0.057 0.000 0.814 79 E CB 0.855 30.589 29.700 0.057 0.000 1.098 79 E HN 0.377 nan 8.360 nan 0.000 0.407 80 V N 3.980 123.884 119.914 -0.017 0.000 2.432 80 V HA 0.145 4.266 4.120 0.001 0.000 0.271 80 V C 0.142 176.214 176.094 -0.037 0.000 1.046 80 V CA -0.081 62.190 62.300 -0.048 0.000 0.945 80 V CB 1.281 33.018 31.823 -0.144 0.000 0.992 80 V HN 0.571 nan 8.190 nan 0.000 0.471 81 T N 2.977 117.536 114.554 0.009 0.000 2.791 81 T HA 0.272 4.623 4.350 0.001 0.000 0.288 81 T C 0.148 174.851 174.700 0.005 0.000 0.999 81 T CA -0.484 61.632 62.100 0.027 0.000 0.952 81 T CB 1.029 69.959 68.868 0.103 0.000 0.938 81 T HN 0.607 nan 8.240 nan 0.000 0.444 82 T N 4.489 118.979 114.554 -0.105 0.000 2.817 82 T HA 0.206 4.556 4.350 0.001 0.000 0.295 82 T C 0.560 175.300 174.700 0.066 0.000 0.958 82 T CA -0.161 61.820 62.100 -0.198 0.000 1.157 82 T CB -0.350 68.285 68.868 -0.387 0.000 0.898 82 T HN 0.394 nan 8.240 nan 0.000 0.536 83 F N 3.498 123.497 119.950 0.082 0.000 2.646 83 F HA 0.096 4.624 4.527 0.001 0.000 0.363 83 F C 1.303 177.216 175.800 0.189 0.000 1.143 83 F CA -0.068 58.005 58.000 0.121 0.000 1.356 83 F CB 0.381 39.449 39.000 0.113 0.000 1.055 83 F HN 0.509 nan 8.300 nan 0.000 0.606 84 K N -0.143 120.465 120.400 0.347 0.000 2.533 84 K HA 0.594 4.915 4.320 0.001 0.000 0.284 84 K C -1.704 174.974 176.600 0.130 0.000 1.025 84 K CA -1.091 55.353 56.287 0.260 0.000 0.900 84 K CB 2.022 34.697 32.500 0.292 0.000 1.519 84 K HN 0.368 nan 8.250 nan 0.000 0.432 85 T N 1.245 115.839 114.554 0.068 0.000 2.892 85 T HA 0.168 4.518 4.350 0.001 0.000 0.311 85 T C -1.298 173.399 174.700 -0.006 0.000 1.033 85 T CA -0.673 61.438 62.100 0.019 0.000 0.991 85 T CB 0.733 69.606 68.868 0.009 0.000 0.981 85 T HN 0.421 nan 8.240 nan 0.000 0.457 86 D N 3.578 123.973 120.400 -0.009 0.000 2.380 86 D HA 0.169 4.809 4.640 0.001 0.000 0.270 86 D C 1.126 177.409 176.300 -0.029 0.000 1.363 86 D CA 0.457 54.447 54.000 -0.018 0.000 1.057 86 D CB 0.423 41.208 40.800 -0.025 0.000 1.096 86 D HN 0.667 nan 8.370 nan 0.000 0.524 98 V N 1.668 121.510 119.914 -0.119 0.000 2.547 98 V HA 0.732 4.853 4.120 0.001 0.000 0.299 98 V C -0.180 175.653 176.094 -0.434 0.000 1.040 98 V CA -0.369 61.817 62.300 -0.191 0.000 0.913 98 V CB 1.911 33.680 31.823 -0.090 0.000 0.992 98 V HN 1.046 nan 8.190 nan 0.000 0.449 99 T N 4.650 118.998 114.554 -0.343 0.000 2.786 99 T HA 0.591 4.942 4.350 0.001 0.000 0.283 99 T C -0.571 173.988 174.700 -0.235 0.000 0.992 99 T CA -0.145 61.737 62.100 -0.362 0.000 0.954 99 T CB 0.403 69.181 68.868 -0.150 0.000 0.934 99 T HN 0.295 nan 8.240 nan 0.000 0.440 100 F N 2.815 122.799 119.950 0.056 0.000 2.420 100 F HA 0.521 5.049 4.527 0.001 0.000 0.352 100 F C 1.026 176.881 175.800 0.091 0.000 1.108 100 F CA -1.050 56.994 58.000 0.074 0.000 1.162 100 F CB 0.647 39.676 39.000 0.048 0.000 1.118 100 F HN 0.380 nan 8.300 nan 0.000 0.510 101 V N 1.621 121.727 119.914 0.320 0.000 3.485 101 V HA 0.583 4.704 4.120 0.001 0.000 0.293 101 V C 0.426 176.700 176.094 0.300 0.000 1.253 101 V CA -0.955 61.496 62.300 0.253 0.000 0.991 101 V CB 1.849 33.788 31.823 0.194 0.000 1.252 101 V HN 0.799 nan 8.190 nan 0.000 0.473 102 R N -0.765 119.909 120.500 0.290 0.000 2.509 102 R HA 0.344 4.684 4.340 0.001 0.000 0.297 102 R C 0.699 177.256 176.300 0.427 0.000 0.951 102 R CA 0.260 56.572 56.100 0.355 0.000 1.103 102 R CB 0.928 31.358 30.300 0.216 0.000 1.283 102 R HN 0.678 nan 8.270 nan 0.000 0.534 103 S N 1.413 117.273 115.700 0.266 0.000 2.400 103 S HA 0.080 4.551 4.470 0.001 0.000 0.295 103 S C 1.026 175.511 174.600 -0.192 0.000 1.113 103 S CA -0.493 57.752 58.200 0.076 0.000 1.064 103 S CB 0.664 63.892 63.200 0.046 0.000 0.990 103 S HN 0.289 nan 8.310 nan 0.000 0.502 104 L N 5.406 126.337 121.223 -0.486 0.000 2.046 104 L HA 0.031 4.372 4.340 0.001 0.000 0.208 104 L C 2.146 178.711 176.870 -0.507 0.000 1.077 104 L CA 1.967 56.176 54.840 -1.051 0.000 0.747 104 L CB -0.643 40.851 42.059 -0.942 0.000 0.896 104 L HN 0.798 nan 8.230 nan 0.000 0.432 105 E N -0.572 119.473 120.200 -0.258 0.000 2.160 105 E HA -0.245 4.106 4.350 0.001 0.000 0.195 105 E C 1.940 178.520 176.600 -0.033 0.000 0.991 105 E CA 1.152 57.507 56.400 -0.075 0.000 0.810 105 E CB 0.045 29.732 29.700 -0.023 0.000 0.742 105 E HN 0.559 nan 8.360 nan 0.000 0.466 106 E N 0.536 120.693 120.200 -0.071 0.000 2.150 106 E HA -0.154 4.197 4.350 0.001 0.000 0.193 106 E C 1.553 178.112 176.600 -0.068 0.000 0.985 106 E CA 0.846 57.226 56.400 -0.033 0.000 0.814 106 E CB -0.087 29.618 29.700 0.009 0.000 0.752 106 E HN 0.279 nan 8.360 nan 0.000 0.466 107 D N 0.114 120.431 120.400 -0.140 0.000 2.085 107 D HA -0.059 4.582 4.640 0.001 0.000 0.199 107 D C 2.187 178.405 176.300 -0.136 0.000 0.981 107 D CA 0.755 54.687 54.000 -0.115 0.000 0.834 107 D CB -0.061 40.629 40.800 -0.184 0.000 0.992 107 D HN 0.028 nan 8.370 nan 0.000 0.457 108 L N 0.426 121.543 121.223 -0.177 0.000 2.021 108 L HA -0.225 4.116 4.340 0.001 0.000 0.215 108 L C 2.545 179.196 176.870 -0.365 0.000 1.074 108 L CA 1.329 56.053 54.840 -0.192 0.000 0.760 108 L CB -0.584 41.421 42.059 -0.089 0.000 0.889 108 L HN 0.102 nan 8.230 nan 0.000 0.433 109 K N 0.640 120.822 120.400 -0.364 0.000 2.286 109 K HA -0.218 4.103 4.320 0.001 0.000 0.203 109 K C 2.147 178.549 176.600 -0.329 0.000 1.045 109 K CA 1.583 57.582 56.287 -0.480 0.000 0.935 109 K CB 0.025 32.432 32.500 -0.156 0.000 0.737 109 K HN 0.430 nan 8.250 nan 0.000 0.460 110 R N -0.054 120.317 120.500 -0.215 0.000 2.254 110 R HA 0.070 4.411 4.340 0.001 0.000 0.195 110 R C 0.314 176.515 176.300 -0.166 0.000 0.957 110 R CA -0.084 55.925 56.100 -0.152 0.000 1.024 110 R CB 0.038 30.291 30.300 -0.079 0.000 0.952 110 R HN -0.084 nan 8.270 nan 0.000 0.484 111 R N 1.834 122.217 120.500 -0.195 0.000 2.679 111 R HA 0.008 4.349 4.340 0.001 0.000 0.269 111 R C 0.264 176.404 176.300 -0.267 0.000 1.076 111 R CA 0.348 56.340 56.100 -0.180 0.000 1.160 111 R CB 0.396 30.617 30.300 -0.131 0.000 1.054 111 R HN 0.289 nan 8.270 nan 0.000 0.507 112 D N 0.873 121.062 120.400 -0.352 0.000 2.088 112 D HA -0.183 4.458 4.640 0.001 0.000 0.191 112 D C 0.178 175.944 176.300 -0.890 0.000 0.992 112 D CA 1.632 55.172 54.000 -0.767 0.000 0.831 112 D CB -0.155 39.997 40.800 -1.080 0.000 0.973 112 D HN 0.365 nan 8.370 nan 0.000 0.447 113 F N -1.948 117.986 119.950 -0.027 0.000 2.650 113 F HA 0.376 4.904 4.527 0.002 0.000 0.320 113 F C 1.553 177.311 175.800 -0.069 0.000 1.091 113 F CA -0.861 57.111 58.000 -0.046 0.000 0.962 113 F CB 1.497 40.466 39.000 -0.051 0.000 1.363 113 F HN -0.245 nan 8.300 nan 0.000 0.482 114 T N -2.476 112.183 114.554 0.176 0.000 2.821 114 T HA -0.187 4.164 4.350 0.001 0.000 0.267 114 T C 1.663 176.417 174.700 0.090 0.000 1.046 114 T CA 1.758 63.923 62.100 0.108 0.000 1.139 114 T CB -0.457 68.488 68.868 0.129 0.000 0.871 114 T HN 0.690 nan 8.240 nan 0.000 0.454 115 M N 1.520 121.168 119.600 0.081 0.000 2.202 115 M HA -0.029 4.452 4.480 0.001 0.000 0.262 115 M C 1.410 177.718 176.300 0.013 0.000 1.063 115 M CA 1.635 56.964 55.300 0.047 0.000 1.097 115 M CB -0.999 31.593 32.600 -0.013 0.000 1.382 115 M HN 0.046 nan 8.290 nan 0.000 0.413 116 N N 1.385 120.084 118.700 -0.002 0.000 2.416 116 N HA 0.136 4.877 4.740 0.001 0.000 0.177 116 N C 1.074 176.595 175.510 0.018 0.000 1.036 116 N CA 1.194 54.247 53.050 0.005 0.000 0.901 116 N CB -0.076 38.409 38.487 -0.003 0.000 0.976 116 N HN 0.506 nan 8.380 nan 0.000 0.444 117 A N 0.471 123.297 122.820 0.011 0.000 2.797 117 A HA 0.335 4.656 4.320 0.001 0.000 0.287 117 A C 0.449 178.066 177.584 0.055 0.000 1.369 117 A CA -0.315 51.713 52.037 -0.015 0.000 0.968 117 A CB -0.639 18.288 19.000 -0.121 0.000 1.069 117 A HN 0.068 nan 8.150 nan 0.000 0.571 118 I N -0.777 119.836 120.570 0.070 0.000 3.210 118 I HA 0.711 4.882 4.170 0.001 0.000 0.316 118 I C 0.478 176.646 176.117 0.086 0.000 1.067 118 I CA -0.695 60.655 61.300 0.084 0.000 1.047 118 I CB 1.778 39.831 38.000 0.089 0.000 1.352 118 I HN 0.227 nan 8.210 nan 0.000 0.565 119 A N 3.161 126.034 122.820 0.089 0.000 2.577 119 A HA 0.657 4.978 4.320 0.001 0.000 0.297 119 A C -1.146 176.533 177.584 0.159 0.000 1.060 119 A CA -0.514 51.599 52.037 0.126 0.000 0.697 119 A CB 1.850 20.853 19.000 0.005 0.000 1.281 119 A HN 0.686 nan 8.150 nan 0.000 0.402 120 M N 2.721 122.478 119.600 0.263 0.000 2.395 120 M HA 0.479 4.960 4.480 0.001 0.000 0.307 120 M C -1.341 175.161 176.300 0.338 0.000 1.091 120 M CA -0.530 54.919 55.300 0.248 0.000 0.919 120 M CB 1.677 34.359 32.600 0.136 0.000 1.662 120 M HN 0.969 nan 8.290 nan 0.000 0.440 121 D N 2.714 123.286 120.400 0.287 0.000 2.312 121 D HA 0.064 4.705 4.640 0.001 0.000 0.248 121 D C 0.586 176.912 176.300 0.043 0.000 1.086 121 D CA -0.237 53.890 54.000 0.212 0.000 0.948 121 D CB 0.728 41.724 40.800 0.327 0.000 1.162 121 D HN 0.812 nan 8.370 nan 0.000 0.446 122 E N -0.125 119.943 120.200 -0.220 0.000 2.444 122 E HA -0.279 4.072 4.350 0.001 0.000 0.204 122 E C 0.490 176.871 176.600 -0.364 0.000 1.049 122 E CA 1.467 57.636 56.400 -0.385 0.000 0.872 122 E CB -0.550 28.790 29.700 -0.601 0.000 0.791 122 E HN 0.635 nan 8.360 nan 0.000 0.548 123 Y N -0.911 119.416 120.300 0.045 0.000 2.535 123 Y HA 0.371 4.922 4.550 0.001 0.000 0.266 123 Y C 1.703 177.630 175.900 0.046 0.000 1.088 123 Y CA 0.080 58.206 58.100 0.043 0.000 1.285 123 Y CB 1.345 39.824 38.460 0.032 0.000 1.166 123 Y HN 0.187 nan 8.280 nan 0.000 0.525 124 G N 0.502 109.414 108.800 0.187 0.000 2.145 124 G HA2 -0.184 3.777 3.960 0.001 0.000 0.145 124 G HA3 -0.184 3.777 3.960 0.001 0.000 0.145 124 G C -0.340 174.613 174.900 0.088 0.000 1.017 124 G CA -0.165 44.993 45.100 0.097 0.000 0.682 124 G HN 0.131 nan 8.290 nan 0.000 0.504 125 T N 2.194 116.828 114.554 0.132 0.000 2.733 125 T HA 0.568 4.918 4.350 0.001 0.000 0.294 125 T C 0.583 175.341 174.700 0.097 0.000 0.956 125 T CA -0.526 61.635 62.100 0.102 0.000 0.987 125 T CB 1.700 70.636 68.868 0.113 0.000 0.920 125 T HN 0.162 nan 8.240 nan 0.000 0.470 126 I N 3.973 124.580 120.570 0.062 0.000 2.517 126 I HA 0.149 4.320 4.170 0.001 0.000 0.285 126 I C 0.407 176.555 176.117 0.051 0.000 1.106 126 I CA -0.996 60.338 61.300 0.057 0.000 1.402 126 I CB -0.228 37.794 38.000 0.037 0.000 1.399 126 I HN 0.628 nan 8.210 nan 0.000 0.535 127 I N 6.289 126.890 120.570 0.053 0.000 2.310 127 I HA 0.130 4.301 4.170 0.001 0.000 0.287 127 I C -0.057 176.068 176.117 0.013 0.000 1.073 127 I CA -0.070 61.239 61.300 0.015 0.000 1.216 127 I CB 0.507 38.492 38.000 -0.024 0.000 1.415 127 I HN 0.396 nan 8.210 nan 0.000 0.480 128 D N 8.450 128.855 120.400 0.008 0.000 2.432 128 D HA 0.354 4.994 4.640 0.001 0.000 0.265 128 D C -1.930 174.353 176.300 -0.029 0.000 1.160 128 D CA -1.892 52.123 54.000 0.025 0.000 0.911 128 D CB 1.288 42.108 40.800 0.033 0.000 1.052 128 D HN 0.172 nan 8.370 nan 0.000 0.508 129 P HA 0.263 nan 4.420 nan 0.000 0.257 129 P C -0.194 176.659 177.300 -0.745 0.000 1.325 129 P CA 0.009 62.909 63.100 -0.334 0.000 0.850 129 P CB -0.085 31.429 31.700 -0.310 0.000 1.324 130 F N -1.443 118.492 119.950 -0.024 0.000 2.880 130 F HA 0.393 4.920 4.527 0.001 0.000 0.328 130 F C 1.482 177.279 175.800 -0.004 0.000 1.146 130 F CA -0.060 57.931 58.000 -0.016 0.000 1.135 130 F CB 0.263 39.252 39.000 -0.018 0.000 1.151 130 F HN -0.001 nan 8.300 nan 0.000 0.523 131 G N 0.679 109.528 108.800 0.083 0.000 2.147 131 G HA2 -0.286 3.675 3.960 0.001 0.000 0.244 131 G HA3 -0.286 3.675 3.960 0.001 0.000 0.244 131 G C 1.397 176.344 174.900 0.078 0.000 1.005 131 G CA 0.296 45.430 45.100 0.057 0.000 0.713 131 G HN 0.673 nan 8.290 nan 0.000 0.515 132 G N 0.113 108.975 108.800 0.104 0.000 2.459 132 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 132 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 132 G C 1.576 176.521 174.900 0.075 0.000 1.183 132 G CA 1.639 46.797 45.100 0.098 0.000 0.776 132 G HN 0.673 nan 8.290 nan 0.000 0.552 133 R N -0.115 120.421 120.500 0.059 0.000 2.113 133 R HA -0.117 4.224 4.340 0.001 0.000 0.244 133 R C 2.591 178.907 176.300 0.027 0.000 1.142 133 R CA 1.707 57.833 56.100 0.043 0.000 0.953 133 R CB -0.170 30.148 30.300 0.030 0.000 0.860 133 R HN 0.286 nan 8.270 nan 0.000 0.438 134 E N -0.068 120.143 120.200 0.019 0.000 2.017 134 E HA -0.185 4.166 4.350 0.001 0.000 0.193 134 E C 1.931 178.524 176.600 -0.012 0.000 0.997 134 E CA 1.427 57.826 56.400 -0.001 0.000 0.804 134 E CB -0.411 29.287 29.700 -0.003 0.000 0.757 134 E HN 0.418 nan 8.360 nan 0.000 0.448 135 A N 1.234 124.061 122.820 0.012 0.000 1.940 135 A HA -0.241 4.079 4.320 0.001 0.000 0.221 135 A C 2.353 179.908 177.584 -0.048 0.000 1.190 135 A CA 1.871 53.910 52.037 0.004 0.000 0.647 135 A CB -0.818 18.225 19.000 0.071 0.000 0.821 135 A HN 0.280 nan 8.150 nan 0.000 0.457 136 I N -1.828 118.755 120.570 0.022 0.000 2.233 136 I HA -0.191 3.980 4.170 0.001 0.000 0.243 136 I C 2.722 178.772 176.117 -0.112 0.000 1.093 136 I CA 1.338 62.662 61.300 0.040 0.000 1.380 136 I CB -0.407 37.686 38.000 0.156 0.000 1.067 136 I HN 0.352 nan 8.210 nan 0.000 0.413 137 R N 1.020 121.480 120.500 -0.068 0.000 2.096 137 R HA -0.171 4.170 4.340 0.001 0.000 0.240 137 R C 2.398 178.607 176.300 -0.150 0.000 1.139 137 R CA 1.560 57.612 56.100 -0.080 0.000 0.952 137 R CB -0.109 30.163 30.300 -0.045 0.000 0.854 137 R HN 0.247 nan 8.270 nan 0.000 0.436 138 R N 0.410 120.806 120.500 -0.172 0.000 2.236 138 R HA 0.029 4.370 4.340 0.001 0.000 0.208 138 R C 0.037 176.111 176.300 -0.376 0.000 1.036 138 R CA 0.344 56.321 56.100 -0.206 0.000 1.001 138 R CB -0.010 30.203 30.300 -0.144 0.000 0.896 138 R HN 0.289 nan 8.270 nan 0.000 0.464 139 R N 0.371 120.486 120.500 -0.642 0.000 3.076 139 R HA -0.139 4.202 4.340 0.001 0.000 0.261 139 R C -0.887 174.820 176.300 -0.989 0.000 0.930 139 R CA 0.597 55.805 56.100 -1.486 0.000 0.649 139 R CB -2.078 27.570 30.300 -1.086 0.000 1.350 139 R HN 0.212 nan 8.270 nan 0.000 0.453 140 I N 1.719 121.980 120.570 -0.515 0.000 2.534 140 I HA 0.296 4.466 4.170 0.001 0.000 0.288 140 I C 0.657 176.852 176.117 0.129 0.000 1.077 140 I CA -1.000 60.245 61.300 -0.091 0.000 1.051 140 I CB 2.116 40.062 38.000 -0.089 0.000 1.234 140 I HN 0.138 nan 8.210 nan 0.000 0.425 141 I N 6.238 126.887 120.570 0.130 0.000 2.372 141 I HA 0.183 4.354 4.170 0.001 0.000 0.298 141 I C 0.441 176.516 176.117 -0.070 0.000 1.137 141 I CA 0.340 61.612 61.300 -0.047 0.000 1.314 141 I CB -0.146 37.737 38.000 -0.194 0.000 1.444 141 I HN 0.476 nan 8.210 nan 0.000 0.541 142 R N 3.773 124.289 120.500 0.027 0.000 2.778 142 R HA 0.479 4.819 4.340 0.001 0.000 0.277 142 R C -0.368 176.070 176.300 0.230 0.000 0.977 142 R CA -0.571 55.581 56.100 0.087 0.000 0.950 142 R CB 1.602 31.944 30.300 0.069 0.000 1.165 142 R HN 0.397 nan 8.270 nan 0.000 0.474 143 T N 1.990 116.682 114.554 0.230 0.000 2.930 143 T HA 0.069 4.420 4.350 0.001 0.000 0.306 143 T C -0.128 174.620 174.700 0.079 0.000 1.045 143 T CA -0.258 61.973 62.100 0.218 0.000 1.134 143 T CB 0.761 69.642 68.868 0.023 0.000 0.961 143 T HN 0.270 nan 8.240 nan 0.000 0.545 144 V N 3.986 123.894 119.914 -0.010 0.000 2.287 144 V HA 0.535 4.656 4.120 0.001 0.000 0.246 144 V C 1.134 177.169 176.094 -0.098 0.000 1.165 144 V CA 0.497 62.743 62.300 -0.090 0.000 1.088 144 V CB -1.067 30.604 31.823 -0.254 0.000 1.242 144 V HN 1.299 nan 8.190 nan 0.000 0.497 145 G N 4.354 113.141 108.800 -0.022 0.000 2.548 145 G HA2 -0.127 3.833 3.960 0.001 0.000 0.208 145 G HA3 -0.127 3.833 3.960 0.001 0.000 0.208 145 G C -0.358 174.508 174.900 -0.057 0.000 1.308 145 G CA -0.292 44.792 45.100 -0.026 0.000 0.924 145 G HN 0.818 nan 8.290 nan 0.000 0.540 146 E N 0.951 121.107 120.200 -0.072 0.000 2.328 146 E HA 0.555 4.906 4.350 0.001 0.000 0.265 146 E C 1.483 177.968 176.600 -0.191 0.000 1.057 146 E CA 1.297 57.639 56.400 -0.098 0.000 0.916 146 E CB 0.723 30.377 29.700 -0.076 0.000 0.993 146 E HN 1.482 nan 8.360 nan 0.000 0.446 147 A N 5.592 128.271 122.820 -0.235 0.000 1.986 147 A HA -0.247 4.074 4.320 0.001 0.000 0.220 147 A C 1.740 178.911 177.584 -0.690 0.000 1.171 147 A CA 1.754 53.486 52.037 -0.507 0.000 0.640 147 A CB -0.454 18.344 19.000 -0.337 0.000 0.811 147 A HN 0.795 nan 8.150 nan 0.000 0.451 148 E N -0.385 119.633 120.200 -0.303 0.000 2.007 148 E HA -0.216 4.134 4.350 0.001 0.000 0.194 148 E C 2.104 178.618 176.600 -0.143 0.000 0.999 148 E CA 1.378 57.684 56.400 -0.158 0.000 0.811 148 E CB -0.301 29.361 29.700 -0.062 0.000 0.762 148 E HN 0.637 nan 8.360 nan 0.000 0.450 149 K N 0.794 121.118 120.400 -0.127 0.000 2.063 149 K HA -0.163 4.158 4.320 0.001 0.000 0.208 149 K C 2.226 178.773 176.600 -0.089 0.000 1.048 149 K CA 1.004 57.240 56.287 -0.085 0.000 0.928 149 K CB 0.058 32.515 32.500 -0.072 0.000 0.713 149 K HN -0.027 nan 8.250 nan 0.000 0.442 150 R N -0.329 120.070 120.500 -0.169 0.000 2.081 150 R HA -0.102 4.239 4.340 0.001 0.000 0.235 150 R C 2.264 178.591 176.300 0.046 0.000 1.131 150 R CA 1.403 57.425 56.100 -0.131 0.000 0.960 150 R CB -0.441 29.721 30.300 -0.231 0.000 0.856 150 R HN 0.340 nan 8.270 nan 0.000 0.436 151 F N 0.390 120.337 119.950 -0.005 0.000 2.365 151 F HA -0.051 4.477 4.527 0.001 0.000 0.300 151 F C 2.457 178.245 175.800 -0.019 0.000 1.090 151 F CA 0.296 58.297 58.000 0.001 0.000 1.408 151 F CB -0.029 38.983 39.000 0.020 0.000 1.060 151 F HN -0.030 nan 8.300 nan 0.000 0.534 152 R N 0.305 120.887 120.500 0.136 0.000 2.161 152 R HA -0.104 4.237 4.340 0.001 0.000 0.213 152 R C 1.832 178.144 176.300 0.021 0.000 1.055 152 R CA 0.757 56.887 56.100 0.051 0.000 0.996 152 R CB -0.269 30.040 30.300 0.014 0.000 0.901 152 R HN 0.333 nan 8.270 nan 0.000 0.456 153 E N 0.662 120.875 120.200 0.022 0.000 2.285 153 E HA -0.125 4.226 4.350 0.001 0.000 0.194 153 E C -0.540 176.064 176.600 0.007 0.000 0.997 153 E CA 0.588 56.987 56.400 -0.002 0.000 0.845 153 E CB 0.423 30.109 29.700 -0.024 0.000 0.782 153 E HN 0.001 nan 8.360 nan 0.000 0.491 154 D N -1.589 118.837 120.400 0.043 0.000 2.349 154 D HA 0.109 4.750 4.640 0.001 0.000 0.224 154 D C 0.209 176.546 176.300 0.061 0.000 1.323 154 D CA 0.426 54.447 54.000 0.035 0.000 0.917 154 D CB 0.227 41.036 40.800 0.015 0.000 1.524 154 D HN 0.027 nan 8.370 nan 0.000 0.505 155 A N 2.636 125.480 122.820 0.039 0.000 1.927 155 A HA -0.210 4.111 4.320 0.001 0.000 0.220 155 A C 2.083 179.643 177.584 -0.039 0.000 1.185 155 A CA 1.654 53.695 52.037 0.008 0.000 0.639 155 A CB -0.435 18.566 19.000 0.001 0.000 0.820 155 A HN 0.585 nan 8.150 nan 0.000 0.451 156 L N -0.349 120.868 121.223 -0.009 0.000 2.189 156 L HA -0.177 4.164 4.340 0.001 0.000 0.214 156 L C 2.249 179.118 176.870 -0.002 0.000 1.097 156 L CA 2.029 56.862 54.840 -0.010 0.000 0.764 156 L CB -0.529 41.534 42.059 0.007 0.000 0.900 156 L HN 0.380 nan 8.230 nan 0.000 0.436 157 R N -1.486 119.036 120.500 0.035 0.000 2.276 157 R HA -0.184 4.157 4.340 0.001 0.000 0.243 157 R C 2.015 178.395 176.300 0.133 0.000 1.161 157 R CA 1.717 57.901 56.100 0.139 0.000 1.007 157 R CB -0.225 30.211 30.300 0.228 0.000 0.867 157 R HN 0.484 nan 8.270 nan 0.000 0.472 158 M N -1.238 118.242 119.600 -0.201 0.000 2.155 158 M HA -0.108 4.373 4.480 0.001 0.000 0.258 158 M C 2.053 178.290 176.300 -0.104 0.000 1.092 158 M CA 1.120 56.203 55.300 -0.362 0.000 1.153 158 M CB -0.231 32.009 32.600 -0.600 0.000 1.316 158 M HN 0.114 nan 8.290 nan 0.000 0.431 159 M N 0.945 120.501 119.600 -0.074 0.000 2.152 159 M HA -0.297 4.184 4.480 0.001 0.000 0.251 159 M C 2.181 178.469 176.300 -0.020 0.000 1.080 159 M CA 2.209 57.495 55.300 -0.024 0.000 1.079 159 M CB -1.096 31.504 32.600 0.001 0.000 1.317 159 M HN 0.336 nan 8.290 nan 0.000 0.404 160 R N -0.743 119.769 120.500 0.019 0.000 2.093 160 R HA 0.134 4.475 4.340 0.001 0.000 0.224 160 R C 2.200 178.558 176.300 0.098 0.000 1.101 160 R CA 1.199 57.285 56.100 -0.022 0.000 0.979 160 R CB -0.941 29.380 30.300 0.034 0.000 0.877 160 R HN 0.328 nan 8.270 nan 0.000 0.441 161 A N 1.717 124.675 122.820 0.231 0.000 1.958 161 A HA -0.146 4.175 4.320 0.001 0.000 0.221 161 A C 2.378 179.965 177.584 0.005 0.000 1.178 161 A CA 1.976 54.016 52.037 0.004 0.000 0.642 161 A CB -0.580 18.400 19.000 -0.033 0.000 0.816 161 A HN 0.182 nan 8.150 nan 0.000 0.453 162 V N 0.334 120.246 119.914 -0.003 0.000 2.535 162 V HA -0.165 3.956 4.120 0.001 0.000 0.246 162 V C 2.610 178.681 176.094 -0.039 0.000 1.045 162 V CA 1.765 64.054 62.300 -0.018 0.000 1.058 162 V CB -0.839 30.970 31.823 -0.024 0.000 0.689 162 V HN 0.776 nan 8.190 nan 0.000 0.461 163 R N 0.161 120.608 120.500 -0.089 0.000 2.081 163 R HA -0.166 4.175 4.340 0.001 0.000 0.235 163 R C 2.275 178.495 176.300 -0.133 0.000 1.131 163 R CA 1.908 57.913 56.100 -0.160 0.000 0.960 163 R CB -0.648 29.500 30.300 -0.252 0.000 0.856 163 R HN 0.414 nan 8.270 nan 0.000 0.436 164 F N 1.346 121.255 119.950 -0.069 0.000 2.120 164 F HA -0.227 4.301 4.527 0.001 0.000 0.300 164 F C 2.484 178.218 175.800 -0.110 0.000 1.095 164 F CA 1.373 59.306 58.000 -0.111 0.000 1.249 164 F CB -0.103 38.799 39.000 -0.164 0.000 0.995 164 F HN -0.144 nan 8.300 nan 0.000 0.480 165 V N -1.500 118.473 119.914 0.097 0.000 2.469 165 V HA -0.321 3.800 4.120 0.001 0.000 0.251 165 V C 2.321 178.461 176.094 0.077 0.000 1.064 165 V CA 2.001 64.334 62.300 0.054 0.000 1.066 165 V CB -1.010 30.828 31.823 0.025 0.000 0.667 165 V HN 0.367 nan 8.190 nan 0.000 0.461 166 S N -0.903 114.830 115.700 0.055 0.000 2.387 166 S HA -0.169 4.301 4.470 0.001 0.000 0.226 166 S C 2.047 176.739 174.600 0.153 0.000 1.026 166 S CA 1.551 59.796 58.200 0.074 0.000 0.972 166 S CB -0.097 63.068 63.200 -0.058 0.000 0.814 166 S HN 0.707 nan 8.310 nan 0.000 0.477 167 E N -0.365 119.895 120.200 0.099 0.000 2.170 167 E HA 0.092 4.443 4.350 0.001 0.000 0.191 167 E C 1.676 178.382 176.600 0.178 0.000 0.981 167 E CA 0.729 57.188 56.400 0.099 0.000 0.830 167 E CB 0.145 29.869 29.700 0.039 0.000 0.775 167 E HN 0.479 nan 8.360 nan 0.000 0.470 168 L N -2.037 119.273 121.223 0.146 0.000 2.547 168 L HA 0.325 4.666 4.340 0.001 0.000 0.218 168 L C 1.153 178.120 176.870 0.161 0.000 1.048 168 L CA 0.414 55.290 54.840 0.059 0.000 0.859 168 L CB 0.706 42.501 42.059 -0.439 0.000 1.128 168 L HN 0.184 nan 8.230 nan 0.000 0.483 169 G N 0.545 109.330 108.800 -0.025 0.000 2.270 169 G HA2 -0.226 3.735 3.960 0.001 0.000 0.224 169 G HA3 -0.226 3.735 3.960 0.001 0.000 0.224 169 G C -0.105 174.743 174.900 -0.088 0.000 1.079 169 G CA -0.490 44.213 45.100 -0.662 0.000 0.807 169 G HN 0.116 nan 8.290 nan 0.000 0.492 170 F N 0.094 119.912 119.950 -0.220 0.000 2.410 170 F HA 0.726 5.254 4.527 0.002 0.000 0.324 170 F C 0.937 176.651 175.800 -0.145 0.000 1.093 170 F CA -0.661 57.245 58.000 -0.157 0.000 1.028 170 F CB 1.491 40.424 39.000 -0.111 0.000 1.309 170 F HN 0.333 nan 8.300 nan 0.000 0.499 171 A N 1.124 123.966 122.820 0.036 0.000 2.299 171 A HA 0.692 5.013 4.320 0.001 0.000 0.332 171 A C -0.938 176.654 177.584 0.014 0.000 1.131 171 A CA -0.701 51.334 52.037 -0.003 0.000 0.844 171 A CB 0.961 19.935 19.000 -0.043 0.000 1.251 171 A HN 0.665 nan 8.150 nan 0.000 0.486 172 L N 0.928 122.154 121.223 0.004 0.000 2.418 172 L HA 0.484 4.825 4.340 0.001 0.000 0.265 172 L C 0.911 177.784 176.870 0.005 0.000 1.143 172 L CA -0.518 54.323 54.840 0.002 0.000 0.809 172 L CB 1.305 43.371 42.059 0.013 0.000 1.124 172 L HN 0.825 nan 8.230 nan 0.000 0.456 173 A N 3.576 126.403 122.820 0.011 0.000 2.409 173 A HA 0.337 4.658 4.320 0.001 0.000 0.262 173 A C -1.686 175.914 177.584 0.027 0.000 1.113 173 A CA -1.248 50.798 52.037 0.015 0.000 0.790 173 A CB 0.266 19.280 19.000 0.022 0.000 1.046 173 A HN 0.563 nan 8.150 nan 0.000 0.496 174 P HA -0.255 nan 4.420 nan 0.000 0.216 174 P C 0.532 177.853 177.300 0.034 0.000 1.167 174 P CA 2.167 65.282 63.100 0.024 0.000 0.914 174 P CB -0.027 31.682 31.700 0.014 0.000 0.793 175 D N -2.151 118.267 120.400 0.029 0.000 2.219 175 D HA -0.108 4.533 4.640 0.001 0.000 0.205 175 D C 1.597 177.924 176.300 0.045 0.000 0.970 175 D CA 1.307 55.324 54.000 0.029 0.000 0.851 175 D CB -1.461 39.348 40.800 0.014 0.000 0.943 175 D HN 0.151 nan 8.370 nan 0.000 0.488 176 T N 0.217 114.808 114.554 0.061 0.000 2.770 176 T HA -0.123 4.228 4.350 0.001 0.000 0.258 176 T C 1.716 176.530 174.700 0.189 0.000 1.039 176 T CA 1.277 63.445 62.100 0.113 0.000 1.143 176 T CB -0.267 68.671 68.868 0.115 0.000 0.866 176 T HN 0.329 nan 8.240 nan 0.000 0.428 177 E N 0.742 121.016 120.200 0.124 0.000 2.049 177 E HA -0.245 4.106 4.350 0.001 0.000 0.198 177 E C 2.356 179.028 176.600 0.119 0.000 1.007 177 E CA 1.226 57.693 56.400 0.112 0.000 0.809 177 E CB -0.058 29.681 29.700 0.065 0.000 0.749 177 E HN 0.257 nan 8.360 nan 0.000 0.450 178 Q N 0.121 119.979 119.800 0.096 0.000 1.998 178 Q HA -0.256 4.085 4.340 0.001 0.000 0.209 178 Q C 2.300 178.373 176.000 0.123 0.000 1.002 178 Q CA 1.868 57.723 55.803 0.087 0.000 0.858 178 Q CB -0.796 27.979 28.738 0.062 0.000 0.932 178 Q HN 0.464 nan 8.270 nan 0.000 0.416 179 A N 0.460 123.371 122.820 0.153 0.000 2.009 179 A HA -0.229 4.092 4.320 0.001 0.000 0.222 179 A C 2.147 179.929 177.584 0.331 0.000 1.175 179 A CA 1.669 53.833 52.037 0.212 0.000 0.651 179 A CB -0.794 18.295 19.000 0.148 0.000 0.815 179 A HN 0.398 nan 8.150 nan 0.000 0.459 180 I N -0.714 120.043 120.570 0.311 0.000 2.163 180 I HA -0.193 3.978 4.170 0.001 0.000 0.240 180 I C 2.330 178.483 176.117 0.060 0.000 1.081 180 I CA 1.233 62.610 61.300 0.128 0.000 1.353 180 I CB -0.330 37.689 38.000 0.032 0.000 1.054 180 I HN 0.172 nan 8.210 nan 0.000 0.407 181 V N 0.155 120.115 119.914 0.077 0.000 2.343 181 V HA -0.305 3.816 4.120 0.001 0.000 0.247 181 V C 2.364 178.495 176.094 0.061 0.000 1.051 181 V CA 1.781 64.120 62.300 0.065 0.000 1.036 181 V CB -0.900 30.963 31.823 0.068 0.000 0.654 181 V HN 0.471 nan 8.190 nan 0.000 0.451 182 Q N 0.022 119.866 119.800 0.074 0.000 2.119 182 Q HA -0.108 4.233 4.340 0.001 0.000 0.201 182 Q C 1.437 177.469 176.000 0.053 0.000 0.972 182 Q CA 1.203 57.045 55.803 0.065 0.000 0.847 182 Q CB -0.089 28.692 28.738 0.071 0.000 0.903 182 Q HN 0.623 nan 8.270 nan 0.000 0.433 183 N N -0.565 118.176 118.700 0.069 0.000 2.214 183 N HA 0.166 4.907 4.740 0.001 0.000 0.214 183 N C 0.866 176.333 175.510 -0.073 0.000 1.132 183 N CA 0.369 53.444 53.050 0.042 0.000 0.856 183 N CB 0.666 39.245 38.487 0.154 0.000 1.020 183 N HN 0.130 nan 8.380 nan 0.000 0.509 184 A N 2.453 125.200 122.820 -0.121 0.000 1.915 184 A HA -0.164 4.157 4.320 0.001 0.000 0.220 184 A C -0.310 176.854 177.584 -0.701 0.000 1.198 184 A CA 1.680 53.536 52.037 -0.302 0.000 0.647 184 A CB -1.496 17.413 19.000 -0.151 0.000 0.825 184 A HN 0.170 nan 8.150 nan 0.000 0.456 185 P HA -0.173 nan 4.420 nan 0.000 0.216 185 P C 1.231 178.293 177.300 -0.397 0.000 1.150 185 P CA 1.084 63.766 63.100 -0.696 0.000 0.843 185 P CB -0.297 31.297 31.700 -0.177 0.000 0.787 186 L N -1.810 119.306 121.223 -0.178 0.000 2.450 186 L HA -0.172 4.169 4.340 0.001 0.000 0.225 186 L C 2.368 179.261 176.870 0.039 0.000 1.145 186 L CA 0.822 55.684 54.840 0.037 0.000 0.801 186 L CB -0.975 41.090 42.059 0.010 0.000 0.924 186 L HN 0.028 nan 8.230 nan 0.000 0.447 187 L N 0.070 121.220 121.223 -0.122 0.000 2.046 187 L HA -0.206 4.135 4.340 0.001 0.000 0.208 187 L C 2.863 179.715 176.870 -0.030 0.000 1.077 187 L CA 1.316 56.114 54.840 -0.069 0.000 0.747 187 L CB -0.722 41.288 42.059 -0.083 0.000 0.896 187 L HN 0.331 nan 8.230 nan 0.000 0.432 188 A N -1.122 121.659 122.820 -0.064 0.000 2.139 188 A HA -0.231 4.090 4.320 0.001 0.000 0.221 188 A C 1.856 179.317 177.584 -0.205 0.000 1.159 188 A CA 1.320 53.289 52.037 -0.113 0.000 0.662 188 A CB -0.769 18.160 19.000 -0.118 0.000 0.796 188 A HN 0.500 nan 8.150 nan 0.000 0.463 189 H N -1.070 117.987 119.070 -0.022 0.000 2.548 189 H HA 0.144 4.701 4.556 0.001 0.000 0.268 189 H C -0.004 175.310 175.328 -0.024 0.000 0.975 189 H CA 0.305 56.340 56.048 -0.022 0.000 1.195 189 H CB 0.154 29.902 29.762 -0.024 0.000 1.397 189 H HN 0.284 nan 8.280 nan 0.000 0.572 190 I N 2.648 123.256 120.570 0.063 0.000 2.331 190 I HA 0.008 4.179 4.170 0.001 0.000 0.292 190 I C 0.851 176.969 176.117 0.002 0.000 0.998 190 I CA -0.680 60.638 61.300 0.031 0.000 1.267 190 I CB 0.996 39.007 38.000 0.019 0.000 1.386 190 I HN 0.031 nan 8.210 nan 0.000 0.476 191 S N 5.172 120.872 115.700 0.000 0.000 2.599 191 S HA 0.045 4.516 4.470 0.001 0.000 0.303 191 S C 1.449 176.037 174.600 -0.020 0.000 1.267 191 S CA -0.683 57.509 58.200 -0.013 0.000 1.055 191 S CB 0.593 63.788 63.200 -0.008 0.000 0.790 191 S HN 0.404 nan 8.310 nan 0.000 0.500 192 V N 3.252 123.139 119.914 -0.045 0.000 2.250 192 V HA -0.260 3.860 4.120 0.001 0.000 0.250 192 V C 2.624 178.720 176.094 0.003 0.000 1.060 192 V CA 2.540 64.803 62.300 -0.061 0.000 1.030 192 V CB -1.481 30.277 31.823 -0.109 0.000 0.643 192 V HN 0.936 nan 8.190 nan 0.000 0.445 193 E N -0.150 120.052 120.200 0.004 0.000 2.113 193 E HA -0.272 4.079 4.350 0.001 0.000 0.210 193 E C 2.445 179.075 176.600 0.050 0.000 1.040 193 E CA 1.915 58.331 56.400 0.026 0.000 0.847 193 E CB -0.298 29.407 29.700 0.009 0.000 0.755 193 E HN 0.448 nan 8.360 nan 0.000 0.459 194 R N -0.493 120.027 120.500 0.034 0.000 2.115 194 R HA -0.010 4.331 4.340 0.001 0.000 0.226 194 R C 2.362 178.700 176.300 0.063 0.000 1.100 194 R CA 1.290 57.412 56.100 0.036 0.000 0.980 194 R CB -0.188 30.122 30.300 0.016 0.000 0.875 194 R HN 0.330 nan 8.270 nan 0.000 0.445 195 M N -0.585 119.063 119.600 0.080 0.000 2.175 195 M HA -0.097 4.384 4.480 0.001 0.000 0.264 195 M C 2.074 178.544 176.300 0.283 0.000 1.063 195 M CA 1.560 56.944 55.300 0.140 0.000 1.119 195 M CB -0.455 32.197 32.600 0.087 0.000 1.377 195 M HN 0.015 nan 8.290 nan 0.000 0.415 196 T N 1.163 115.908 114.554 0.318 0.000 2.674 196 T HA -0.100 4.250 4.350 0.001 0.000 0.265 196 T C 1.834 176.681 174.700 0.245 0.000 1.039 196 T CA 1.421 63.784 62.100 0.439 0.000 1.150 196 T CB -0.215 68.865 68.868 0.353 0.000 0.864 196 T HN 0.369 nan 8.240 nan 0.000 0.427 197 M N 0.787 120.473 119.600 0.143 0.000 2.149 197 M HA -0.109 4.372 4.480 0.001 0.000 0.261 197 M C 2.395 178.713 176.300 0.030 0.000 1.064 197 M CA 1.396 56.739 55.300 0.072 0.000 1.102 197 M CB -0.394 32.230 32.600 0.040 0.000 1.369 197 M HN 0.172 nan 8.290 nan 0.000 0.408 198 E N 0.239 120.462 120.200 0.040 0.000 2.028 198 E HA -0.183 4.168 4.350 0.001 0.000 0.191 198 E C 1.910 178.488 176.600 -0.036 0.000 0.988 198 E CA 1.305 57.696 56.400 -0.015 0.000 0.799 198 E CB -0.422 29.277 29.700 -0.002 0.000 0.755 198 E HN 0.440 nan 8.360 nan 0.000 0.447 199 M N 1.443 121.062 119.600 0.031 0.000 2.106 199 M HA -0.180 4.301 4.480 0.001 0.000 0.259 199 M C 1.663 177.809 176.300 -0.257 0.000 1.068 199 M CA 1.614 56.852 55.300 -0.104 0.000 1.100 199 M CB -0.057 32.451 32.600 -0.153 0.000 1.351 199 M HN -0.061 nan 8.290 nan 0.000 0.404 200 E N -0.687 119.427 120.200 -0.144 0.000 2.478 200 E HA -0.131 4.220 4.350 0.001 0.000 0.198 200 E C 1.586 178.091 176.600 -0.159 0.000 1.046 200 E CA 0.664 56.966 56.400 -0.163 0.000 0.870 200 E CB 0.134 29.866 29.700 0.054 0.000 0.818 200 E HN 0.609 nan 8.360 nan 0.000 0.527 201 K N 0.040 120.351 120.400 -0.149 0.000 2.240 201 K HA 0.088 4.409 4.320 0.001 0.000 0.202 201 K C 2.099 178.591 176.600 -0.180 0.000 1.053 201 K CA -0.108 56.091 56.287 -0.147 0.000 0.973 201 K CB 0.018 32.435 32.500 -0.139 0.000 0.924 201 K HN -0.037 nan 8.250 nan 0.000 0.477 202 L N 1.944 123.047 121.223 -0.200 0.000 1.997 202 L HA -0.303 4.037 4.340 0.001 0.000 0.227 202 L C 2.037 178.735 176.870 -0.285 0.000 1.087 202 L CA 1.673 56.380 54.840 -0.220 0.000 0.797 202 L CB -0.417 41.513 42.059 -0.214 0.000 0.902 202 L HN 0.212 nan 8.230 nan 0.000 0.441 203 L N -0.581 120.420 121.223 -0.369 0.000 2.151 203 L HA -0.236 4.104 4.340 0.001 0.000 0.215 203 L C 2.125 178.847 176.870 -0.246 0.000 1.084 203 L CA 1.438 56.023 54.840 -0.425 0.000 0.764 203 L CB -1.154 40.591 42.059 -0.524 0.000 0.891 203 L HN 0.572 nan 8.230 nan 0.000 0.435 204 G N -0.848 107.840 108.800 -0.188 0.000 3.189 204 G HA2 0.210 4.171 3.960 0.001 0.000 0.225 204 G HA3 0.210 4.171 3.960 0.001 0.000 0.225 204 G C 0.797 175.642 174.900 -0.092 0.000 1.159 204 G CA 0.252 45.285 45.100 -0.112 0.000 0.763 204 G HN 0.395 nan 8.290 nan 0.000 0.549 205 G N 0.765 109.496 108.800 -0.116 0.000 2.474 205 G HA2 0.304 4.265 3.960 0.001 0.000 0.233 205 G HA3 0.304 4.265 3.960 0.001 0.000 0.233 205 G C -1.172 173.678 174.900 -0.083 0.000 1.278 205 G CA -0.553 44.501 45.100 -0.077 0.000 0.861 205 G HN 0.031 nan 8.290 nan 0.000 0.567 206 P HA 0.103 nan 4.420 nan 0.000 0.236 206 P C 0.642 177.618 177.300 -0.541 0.000 1.177 206 P CA 0.670 63.590 63.100 -0.301 0.000 0.773 206 P CB 0.222 31.696 31.700 -0.377 0.000 0.878 207 F N -1.398 118.553 119.950 0.002 0.000 2.654 207 F HA 0.410 4.937 4.527 0.000 0.000 0.303 207 F C 2.072 177.834 175.800 -0.063 0.000 1.099 207 F CA -0.302 57.698 58.000 0.001 0.000 1.270 207 F CB -0.506 38.507 39.000 0.022 0.000 1.024 207 F HN -0.157 nan 8.300 nan 0.000 0.548 208 A N 0.928 123.720 122.820 -0.046 0.000 1.969 208 A HA -0.353 3.968 4.320 0.001 0.000 0.223 208 A C 2.515 179.922 177.584 -0.295 0.000 1.218 208 A CA 2.363 54.234 52.037 -0.276 0.000 0.667 208 A CB -1.170 17.549 19.000 -0.468 0.000 0.826 208 A HN 0.394 nan 8.150 nan 0.000 0.472 209 A N 0.173 122.936 122.820 -0.095 0.000 1.958 209 A HA -0.207 4.114 4.320 0.001 0.000 0.221 209 A C 2.025 179.645 177.584 0.059 0.000 1.178 209 A CA 2.015 54.086 52.037 0.057 0.000 0.642 209 A CB -0.426 18.707 19.000 0.222 0.000 0.816 209 A HN 0.796 nan 8.150 nan 0.000 0.453 210 R N -1.586 118.954 120.500 0.067 0.000 2.509 210 R HA 0.648 4.989 4.340 0.001 0.000 0.300 210 R C 1.358 177.668 176.300 0.016 0.000 0.985 210 R CA 0.694 56.831 56.100 0.061 0.000 1.092 210 R CB -0.064 30.289 30.300 0.087 0.000 1.237 210 R HN 0.234 nan 8.270 nan 0.000 0.546 211 A N 1.414 124.211 122.820 -0.038 0.000 1.871 211 A HA 0.165 4.485 4.320 0.001 0.000 0.211 211 A C 1.940 179.472 177.584 -0.086 0.000 1.207 211 A CA 0.367 52.365 52.037 -0.065 0.000 0.620 211 A CB -0.308 18.625 19.000 -0.111 0.000 0.860 211 A HN 0.215 nan 8.150 nan 0.000 0.450 212 L N -0.032 121.097 121.223 -0.156 0.000 1.970 212 L HA -0.146 4.195 4.340 0.001 0.000 0.212 212 L C -0.466 176.390 176.870 -0.022 0.000 1.071 212 L CA 1.875 56.638 54.840 -0.129 0.000 0.751 212 L CB -1.576 40.355 42.059 -0.214 0.000 0.889 212 L HN 0.208 nan 8.230 nan 0.000 0.432 213 P HA -0.251 nan 4.420 nan 0.000 0.214 213 P C 1.851 179.173 177.300 0.036 0.000 1.169 213 P CA 1.444 64.572 63.100 0.046 0.000 0.908 213 P CB -0.044 31.692 31.700 0.060 0.000 0.791 214 L N -1.178 120.060 121.223 0.024 0.000 2.021 214 L HA -0.206 4.134 4.340 0.001 0.000 0.215 214 L C 2.286 179.170 176.870 0.024 0.000 1.074 214 L CA 1.677 56.531 54.840 0.022 0.000 0.760 214 L CB -1.451 40.615 42.059 0.012 0.000 0.889 214 L HN -0.124 nan 8.230 nan 0.000 0.433 215 L N -0.971 120.261 121.223 0.015 0.000 2.197 215 L HA -0.239 4.101 4.340 0.001 0.000 0.215 215 L C 2.244 179.145 176.870 0.053 0.000 1.095 215 L CA 2.063 56.920 54.840 0.029 0.000 0.764 215 L CB -0.814 41.257 42.059 0.021 0.000 0.897 215 L HN 0.379 nan 8.230 nan 0.000 0.436 216 A N -1.507 121.343 122.820 0.051 0.000 1.887 216 A HA -0.051 4.269 4.320 0.001 0.000 0.210 216 A C 2.112 179.730 177.584 0.057 0.000 1.221 216 A CA 0.709 52.781 52.037 0.059 0.000 0.635 216 A CB -0.482 18.552 19.000 0.058 0.000 0.881 216 A HN 0.400 nan 8.150 nan 0.000 0.456 217 E N 0.472 120.702 120.200 0.050 0.000 2.219 217 E HA -0.104 4.246 4.350 0.001 0.000 0.198 217 E C 0.679 177.310 176.600 0.052 0.000 0.998 217 E CA 1.256 57.685 56.400 0.048 0.000 0.818 217 E CB -0.320 29.406 29.700 0.042 0.000 0.741 217 E HN 0.768 nan 8.360 nan 0.000 0.477 218 T N -3.243 111.342 114.554 0.053 0.000 2.899 218 T HA 0.305 4.656 4.350 0.001 0.000 0.284 218 T C 1.344 176.091 174.700 0.079 0.000 1.004 218 T CA -0.408 61.725 62.100 0.056 0.000 1.043 218 T CB 1.654 70.545 68.868 0.038 0.000 1.013 218 T HN 0.043 nan 8.240 nan 0.000 0.518 219 G N 0.146 108.999 108.800 0.088 0.000 2.527 219 G HA2 -0.083 3.878 3.960 0.001 0.000 0.219 219 G HA3 -0.083 3.878 3.960 0.001 0.000 0.219 219 G C 1.258 176.300 174.900 0.237 0.000 1.117 219 G CA 0.161 45.354 45.100 0.154 0.000 0.759 219 G HN 0.741 nan 8.290 nan 0.000 0.556 220 L N -0.161 121.150 121.223 0.146 0.000 2.127 220 L HA -0.039 4.301 4.340 0.001 0.000 0.211 220 L C 1.616 178.627 176.870 0.236 0.000 1.089 220 L CA 0.286 55.227 54.840 0.168 0.000 0.757 220 L CB -0.448 41.653 42.059 0.070 0.000 0.899 220 L HN 0.329 nan 8.230 nan 0.000 0.434 221 N N 0.023 118.819 118.700 0.161 0.000 2.441 221 N HA 0.071 4.812 4.740 0.001 0.000 0.251 221 N C 0.818 176.332 175.510 0.007 0.000 1.242 221 N CA 0.746 53.857 53.050 0.101 0.000 0.898 221 N CB 0.625 39.155 38.487 0.072 0.000 1.100 221 N HN 0.225 nan 8.380 nan 0.000 0.443 222 A N 2.490 125.255 122.820 -0.093 0.000 2.945 222 A HA -0.217 4.104 4.320 0.001 0.000 0.251 222 A C -0.425 176.728 177.584 -0.718 0.000 1.355 222 A CA 1.261 53.102 52.037 -0.328 0.000 0.905 222 A CB -2.382 16.404 19.000 -0.357 0.000 1.104 222 A HN 0.855 nan 8.150 nan 0.000 0.733 223 Y N -1.747 118.537 120.300 -0.026 0.000 2.448 223 Y HA 0.468 5.019 4.550 0.001 0.000 0.257 223 Y C 0.855 176.694 175.900 -0.101 0.000 1.089 223 Y CA -0.278 57.787 58.100 -0.059 0.000 1.245 223 Y CB 0.536 38.969 38.460 -0.046 0.000 1.282 223 Y HN 0.341 nan 8.280 nan 0.000 0.529 224 L N 2.416 123.642 121.223 0.005 0.000 2.343 224 L HA 0.409 4.750 4.340 0.001 0.000 0.275 224 L C -2.370 174.308 176.870 -0.319 0.000 1.056 224 L CA -2.200 52.555 54.840 -0.141 0.000 0.804 224 L CB 0.866 42.954 42.059 0.049 0.000 1.203 224 L HN -0.266 nan 8.230 nan 0.000 0.440 225 P HA -0.031 nan 4.420 nan 0.000 0.255 225 P C 0.722 177.773 177.300 -0.415 0.000 1.173 225 P CA 0.865 63.467 63.100 -0.831 0.000 0.780 225 P CB 0.284 31.001 31.700 -1.637 0.000 0.758 226 G N 3.061 111.821 108.800 -0.066 0.000 2.155 226 G HA2 -0.277 3.683 3.960 0.001 0.000 0.257 226 G HA3 -0.277 3.683 3.960 0.001 0.000 0.257 226 G C 0.427 175.555 174.900 0.380 0.000 0.983 226 G CA -0.139 45.146 45.100 0.309 0.000 0.676 226 G HN 0.532 nan 8.290 nan 0.000 0.528 227 L N 0.477 121.830 121.223 0.216 0.000 2.848 227 L HA 0.521 4.862 4.340 0.001 0.000 0.240 227 L C 1.532 178.442 176.870 0.067 0.000 1.232 227 L CA 0.089 55.050 54.840 0.201 0.000 1.031 227 L CB 0.178 42.381 42.059 0.240 0.000 1.338 227 L HN 0.430 nan 8.230 nan 0.000 0.509 228 A N -0.104 122.730 122.820 0.024 0.000 2.454 228 A HA 0.446 4.767 4.320 0.001 0.000 0.260 228 A C 1.469 179.045 177.584 -0.014 0.000 1.106 228 A CA 0.576 52.591 52.037 -0.037 0.000 0.780 228 A CB -0.006 18.962 19.000 -0.052 0.000 1.044 228 A HN 0.621 nan 8.150 nan 0.000 0.498 229 G N 2.271 111.055 108.800 -0.026 0.000 2.212 229 G HA2 -0.279 3.682 3.960 0.001 0.000 0.267 229 G HA3 -0.279 3.682 3.960 0.001 0.000 0.267 229 G C 0.644 175.548 174.900 0.007 0.000 1.002 229 G CA 0.819 45.912 45.100 -0.011 0.000 0.729 229 G HN 0.773 nan 8.290 nan 0.000 0.517 230 K N -0.076 120.337 120.400 0.022 0.000 2.504 230 K HA 0.166 4.487 4.320 0.001 0.000 0.199 230 K C 1.729 178.354 176.600 0.041 0.000 1.028 230 K CA 0.480 56.784 56.287 0.029 0.000 1.164 230 K CB 0.211 32.734 32.500 0.039 0.000 0.877 230 K HN 0.481 nan 8.250 nan 0.000 0.508 231 E N 1.647 121.870 120.200 0.037 0.000 2.113 231 E HA -0.251 4.099 4.350 0.001 0.000 0.210 231 E C 1.569 178.201 176.600 0.054 0.000 1.040 231 E CA 1.951 58.378 56.400 0.045 0.000 0.847 231 E CB -0.054 29.668 29.700 0.036 0.000 0.755 231 E HN 0.277 nan 8.360 nan 0.000 0.459 232 K N 0.253 120.681 120.400 0.047 0.000 2.020 232 K HA -0.211 4.109 4.320 0.001 0.000 0.212 232 K C 2.262 178.906 176.600 0.074 0.000 1.050 232 K CA 1.629 57.948 56.287 0.055 0.000 0.929 232 K CB -0.211 32.315 32.500 0.043 0.000 0.714 232 K HN 0.171 nan 8.250 nan 0.000 0.443 233 Q N 0.796 120.635 119.800 0.066 0.000 2.112 233 Q HA -0.168 4.173 4.340 0.001 0.000 0.206 233 Q C 2.342 178.413 176.000 0.118 0.000 0.987 233 Q CA 1.403 57.254 55.803 0.081 0.000 0.858 233 Q CB -0.398 28.364 28.738 0.040 0.000 0.905 233 Q HN 0.401 nan 8.270 nan 0.000 0.420 234 L N 0.197 121.482 121.223 0.104 0.000 2.005 234 L HA -0.142 4.199 4.340 0.001 0.000 0.207 234 L C 2.804 179.754 176.870 0.134 0.000 1.072 234 L CA 1.030 55.939 54.840 0.116 0.000 0.744 234 L CB -0.391 41.719 42.059 0.087 0.000 0.895 234 L HN 0.181 nan 8.230 nan 0.000 0.433 235 R N 0.104 120.671 120.500 0.112 0.000 2.083 235 R HA -0.172 4.168 4.340 0.001 0.000 0.237 235 R C 2.271 178.662 176.300 0.152 0.000 1.137 235 R CA 1.364 57.531 56.100 0.112 0.000 0.951 235 R CB -0.617 29.734 30.300 0.086 0.000 0.851 235 R HN 0.358 nan 8.270 nan 0.000 0.434 236 L N 0.310 121.632 121.223 0.166 0.000 2.127 236 L HA -0.175 4.166 4.340 0.001 0.000 0.211 236 L C 2.590 179.661 176.870 0.336 0.000 1.089 236 L CA 1.110 56.076 54.840 0.209 0.000 0.757 236 L CB -0.694 41.486 42.059 0.201 0.000 0.899 236 L HN 0.253 nan 8.230 nan 0.000 0.434 237 A N 0.240 123.290 122.820 0.384 0.000 2.148 237 A HA -0.249 4.072 4.320 0.001 0.000 0.222 237 A C 2.529 180.531 177.584 0.697 0.000 1.161 237 A CA 1.584 53.971 52.037 0.583 0.000 0.662 237 A CB -0.572 18.698 19.000 0.450 0.000 0.799 237 A HN 0.462 nan 8.150 nan 0.000 0.466 238 A N -0.218 122.854 122.820 0.419 0.000 1.958 238 A HA 0.025 4.346 4.320 0.001 0.000 0.221 238 A C 2.358 180.146 177.584 0.339 0.000 1.178 238 A CA 2.176 54.416 52.037 0.338 0.000 0.642 238 A CB -0.832 18.289 19.000 0.202 0.000 0.816 238 A HN 1.239 nan 8.150 nan 0.000 0.453 239 A N -2.142 120.833 122.820 0.257 0.000 2.169 239 A HA 0.290 4.610 4.320 0.001 0.000 0.212 239 A C 0.475 178.071 177.584 0.020 0.000 1.153 239 A CA -0.152 51.929 52.037 0.074 0.000 0.756 239 A CB -0.379 18.582 19.000 -0.064 0.000 0.813 239 A HN 0.457 nan 8.150 nan 0.000 0.471 240 Y N 0.354 120.718 120.300 0.106 0.000 2.442 240 Y HA 0.152 4.703 4.550 0.001 0.000 0.330 240 Y C 1.295 177.149 175.900 -0.076 0.000 1.129 240 Y CA -0.147 57.886 58.100 -0.111 0.000 1.365 240 Y CB 0.511 38.658 38.460 -0.521 0.000 1.233 240 Y HN 0.096 nan 8.280 nan 0.000 0.529 241 R N 3.520 124.048 120.500 0.048 0.000 3.457 241 R HA -0.129 4.212 4.340 0.001 0.000 0.218 241 R C 0.441 176.840 176.300 0.166 0.000 1.833 241 R CA 0.095 56.259 56.100 0.108 0.000 1.554 241 R CB -0.567 29.779 30.300 0.077 0.000 1.143 241 R HN 0.893 nan 8.270 nan 0.000 0.557 242 W N 1.497 122.881 121.300 0.139 0.000 2.288 242 W HA -0.256 4.405 4.660 0.001 0.000 0.346 242 W C -0.551 175.995 176.519 0.046 0.000 1.402 242 W CA 1.425 58.813 57.345 0.071 0.000 1.311 242 W CB -1.958 27.514 29.460 0.021 0.000 1.100 242 W HN 0.243 nan 8.180 nan 0.000 0.468 243 P HA -0.236 nan 4.420 nan 0.000 0.225 243 P C 1.076 178.498 177.300 0.204 0.000 1.141 243 P CA 1.742 64.942 63.100 0.167 0.000 0.774 243 P CB -0.554 31.209 31.700 0.104 0.000 0.760 244 W N -0.337 120.995 121.300 0.053 0.000 3.197 244 W HA 0.131 4.792 4.660 0.001 0.000 0.274 244 W C -0.346 176.198 176.519 0.042 0.000 1.297 244 W CA -0.170 57.199 57.345 0.039 0.000 1.662 244 W CB 0.101 29.583 29.460 0.036 0.000 1.106 244 W HN -0.192 nan 8.180 nan 0.000 0.663 245 L N 1.834 123.037 121.223 -0.033 0.000 2.513 245 L HA -0.017 4.324 4.340 0.001 0.000 0.272 245 L C 1.425 178.149 176.870 -0.242 0.000 1.187 245 L CA 0.167 54.934 54.840 -0.122 0.000 0.895 245 L CB 0.699 42.746 42.059 -0.021 0.000 1.147 245 L HN -0.094 nan 8.230 nan 0.000 0.483 246 A N 3.398 126.020 122.820 -0.331 0.000 1.956 246 A HA 0.482 4.803 4.320 0.001 0.000 0.212 246 A C 0.948 178.417 177.584 -0.192 0.000 1.188 246 A CA 0.932 52.764 52.037 -0.341 0.000 0.675 246 A CB 0.133 18.884 19.000 -0.415 0.000 0.845 246 A HN 0.734 nan 8.150 nan 0.000 0.455 247 A N -1.533 121.204 122.820 -0.138 0.000 2.423 247 A HA 0.638 4.959 4.320 0.001 0.000 0.304 247 A C 0.847 178.412 177.584 -0.032 0.000 1.104 247 A CA -0.193 51.797 52.037 -0.079 0.000 0.757 247 A CB 0.758 19.715 19.000 -0.072 0.000 1.313 247 A HN 0.276 nan 8.150 nan 0.000 0.423 248 R N 0.014 120.519 120.500 0.008 0.000 2.115 248 R HA -0.243 4.097 4.340 0.001 0.000 0.239 248 R C 1.558 177.983 176.300 0.208 0.000 1.133 248 R CA 2.761 58.919 56.100 0.097 0.000 0.935 248 R CB -0.365 30.015 30.300 0.133 0.000 0.853 248 R HN 0.900 nan 8.270 nan 0.000 0.433 249 E N 0.739 121.034 120.200 0.159 0.000 2.035 249 E HA -0.243 4.107 4.350 0.001 0.000 0.204 249 E C 1.874 178.548 176.600 0.124 0.000 1.025 249 E CA 2.177 58.669 56.400 0.154 0.000 0.835 249 E CB -0.479 29.264 29.700 0.071 0.000 0.764 249 E HN 0.515 nan 8.360 nan 0.000 0.457 250 E N 0.395 120.623 120.200 0.046 0.000 2.147 250 E HA -0.259 4.092 4.350 0.001 0.000 0.199 250 E C 2.198 178.795 176.600 -0.005 0.000 1.005 250 E CA 1.145 57.551 56.400 0.011 0.000 0.810 250 E CB -0.138 29.546 29.700 -0.027 0.000 0.736 250 E HN 0.120 nan 8.360 nan 0.000 0.460 251 R N 0.098 120.589 120.500 -0.015 0.000 2.126 251 R HA -0.169 4.172 4.340 0.001 0.000 0.224 251 R C 1.992 178.247 176.300 -0.075 0.000 1.128 251 R CA 2.092 58.148 56.100 -0.073 0.000 0.895 251 R CB -0.456 29.721 30.300 -0.205 0.000 0.817 251 R HN 0.201 nan 8.270 nan 0.000 0.435 252 W N 0.508 121.810 121.300 0.003 0.000 2.292 252 W HA -0.285 4.376 4.660 0.002 0.000 0.304 252 W C 2.357 178.890 176.519 0.023 0.000 1.228 252 W CA 1.257 58.599 57.345 -0.005 0.000 1.241 252 W CB -0.500 28.936 29.460 -0.041 0.000 1.142 252 W HN 0.406 nan 8.180 nan 0.000 0.520 253 A N 0.247 123.186 122.820 0.197 0.000 1.842 253 A HA -0.266 4.055 4.320 0.001 0.000 0.217 253 A C 1.937 179.532 177.584 0.018 0.000 1.206 253 A CA 2.025 54.122 52.037 0.100 0.000 0.630 253 A CB -1.282 17.748 19.000 0.050 0.000 0.839 253 A HN 0.323 nan 8.150 nan 0.000 0.447 254 L N -0.833 120.334 121.223 -0.094 0.000 2.083 254 L HA -0.146 4.195 4.340 0.001 0.000 0.209 254 L C 2.337 179.038 176.870 -0.281 0.000 1.083 254 L CA 1.805 56.478 54.840 -0.277 0.000 0.752 254 L CB -0.356 41.403 42.059 -0.499 0.000 0.899 254 L HN 0.490 nan 8.230 nan 0.000 0.433 255 L N -0.672 120.513 121.223 -0.064 0.000 2.013 255 L HA -0.259 4.081 4.340 0.001 0.000 0.212 255 L C 2.459 179.374 176.870 0.074 0.000 1.073 255 L CA 2.061 56.986 54.840 0.142 0.000 0.753 255 L CB -1.386 40.758 42.059 0.142 0.000 0.890 255 L HN 0.377 nan 8.230 nan 0.000 0.432 256 C N -0.244 119.117 119.300 0.102 0.000 2.396 256 C HA -0.263 4.197 4.460 0.001 0.000 0.281 256 C C 2.725 177.662 174.990 -0.087 0.000 1.208 256 C CA 1.408 60.419 59.018 -0.012 0.000 1.754 256 C CB -1.269 26.512 27.740 0.069 0.000 2.044 256 C HN 0.886 nan 8.230 nan 0.000 0.449 257 H N 0.619 119.587 119.070 -0.171 0.000 2.297 257 H HA -0.232 4.325 4.556 0.001 0.000 0.289 257 H C 1.970 177.149 175.328 -0.249 0.000 1.105 257 H CA 2.641 58.551 56.048 -0.231 0.000 1.219 257 H CB -0.236 29.356 29.762 -0.284 0.000 1.351 257 H HN 0.443 nan 8.280 nan 0.000 0.481 258 A N -0.050 122.653 122.820 -0.196 0.000 2.167 258 A HA 0.063 4.384 4.320 0.001 0.000 0.214 258 A C 2.262 179.782 177.584 -0.107 0.000 1.151 258 A CA 0.799 52.699 52.037 -0.228 0.000 0.735 258 A CB -0.316 18.241 19.000 -0.738 0.000 0.802 258 A HN 0.514 nan 8.150 nan 0.000 0.467 259 L N -1.662 119.488 121.223 -0.123 0.000 2.509 259 L HA 0.159 4.500 4.340 0.001 0.000 0.222 259 L C 1.808 178.587 176.870 -0.152 0.000 1.123 259 L CA 0.654 55.429 54.840 -0.108 0.000 0.856 259 L CB -0.086 41.883 42.059 -0.151 0.000 0.985 259 L HN 0.548 nan 8.230 nan 0.000 0.456 260 G N 0.254 108.927 108.800 -0.211 0.000 2.148 260 G HA2 -0.272 3.688 3.960 0.001 0.000 0.254 260 G HA3 -0.272 3.688 3.960 0.001 0.000 0.254 260 G C 0.410 175.190 174.900 -0.201 0.000 0.981 260 G CA 0.182 45.142 45.100 -0.233 0.000 0.670 260 G HN 0.101 nan 8.290 nan 0.000 0.528 261 V N 1.880 121.655 119.914 -0.232 0.000 2.678 261 V HA -0.120 4.001 4.120 0.001 0.000 0.304 261 V C 1.958 177.960 176.094 -0.153 0.000 1.086 261 V CA 1.635 63.781 62.300 -0.258 0.000 1.246 261 V CB 0.577 32.128 31.823 -0.454 0.000 0.861 261 V HN 0.677 nan 8.190 nan 0.000 0.491 262 Q N 4.454 124.189 119.800 -0.109 0.000 1.858 262 Q HA -0.051 4.290 4.340 0.001 0.000 0.224 262 Q C 0.337 176.318 176.000 -0.032 0.000 0.980 262 Q CA 1.015 56.781 55.803 -0.062 0.000 0.868 262 Q CB 0.063 28.776 28.738 -0.042 0.000 0.920 262 Q HN 0.794 nan 8.270 nan 0.000 0.427 263 E N 1.520 121.718 120.200 -0.003 0.000 2.089 263 E HA 0.072 4.423 4.350 0.001 0.000 0.284 263 E C 0.690 177.333 176.600 0.071 0.000 1.023 263 E CA -0.076 56.340 56.400 0.027 0.000 0.819 263 E CB 1.156 30.876 29.700 0.032 0.000 1.076 263 E HN 0.347 nan 8.360 nan 0.000 0.396 264 S N 4.679 120.423 115.700 0.074 0.000 2.382 264 S HA -0.218 4.252 4.470 0.001 0.000 0.228 264 S C 1.875 176.575 174.600 0.166 0.000 1.027 264 S CA 0.780 59.063 58.200 0.137 0.000 0.991 264 S CB 0.079 63.340 63.200 0.103 0.000 0.823 264 S HN 0.445 nan 8.310 nan 0.000 0.469 265 R N 1.911 122.468 120.500 0.096 0.000 2.080 265 R HA -0.006 4.335 4.340 0.001 0.000 0.236 265 R C -0.702 175.636 176.300 0.064 0.000 1.137 265 R CA 2.034 58.170 56.100 0.061 0.000 0.943 265 R CB -1.822 28.499 30.300 0.035 0.000 0.846 265 R HN 0.402 nan 8.270 nan 0.000 0.431 266 P HA -0.105 nan 4.420 nan 0.000 0.217 266 P C 1.161 178.523 177.300 0.104 0.000 1.151 266 P CA 0.868 64.010 63.100 0.069 0.000 0.828 266 P CB -0.244 31.500 31.700 0.073 0.000 0.788 267 F N 1.014 120.988 119.950 0.039 0.000 2.000 267 F HA -0.162 4.365 4.527 0.001 0.000 0.295 267 F C 1.994 177.890 175.800 0.160 0.000 1.159 267 F CA 1.584 59.644 58.000 0.100 0.000 1.171 267 F CB -1.179 37.900 39.000 0.131 0.000 0.971 267 F HN -0.317 nan 8.300 nan 0.000 0.479 268 L N 0.025 121.252 121.223 0.007 0.000 2.263 268 L HA -0.231 4.110 4.340 0.001 0.000 0.216 268 L C 2.603 179.352 176.870 -0.202 0.000 1.111 268 L CA 1.304 56.016 54.840 -0.214 0.000 0.773 268 L CB -0.816 41.133 42.059 -0.183 0.000 0.906 268 L HN 0.221 nan 8.230 nan 0.000 0.439 269 R N 0.005 120.436 120.500 -0.115 0.000 2.119 269 R HA -0.027 4.314 4.340 0.001 0.000 0.222 269 R C 2.451 178.676 176.300 -0.125 0.000 1.088 269 R CA 0.960 56.996 56.100 -0.105 0.000 0.984 269 R CB -0.145 30.117 30.300 -0.063 0.000 0.884 269 R HN 0.350 nan 8.270 nan 0.000 0.447 270 A N -0.129 122.589 122.820 -0.170 0.000 1.978 270 A HA -0.175 4.146 4.320 0.001 0.000 0.220 270 A C 1.259 178.651 177.584 -0.320 0.000 1.170 270 A CA 0.944 52.827 52.037 -0.256 0.000 0.636 270 A CB -0.720 18.076 19.000 -0.340 0.000 0.810 270 A HN 0.472 nan 8.150 nan 0.000 0.448 271 W N -0.454 120.636 121.300 -0.350 0.000 3.077 271 W HA 0.198 4.859 4.660 0.001 0.000 0.245 271 W C 0.625 176.991 176.519 -0.255 0.000 1.316 271 W CA 0.620 57.769 57.345 -0.326 0.000 1.537 271 W CB -0.121 29.018 29.460 -0.536 0.000 1.131 271 W HN 0.262 nan 8.180 nan 0.000 0.695 272 K N -0.018 120.347 120.400 -0.059 0.000 3.035 272 K HA -0.232 4.089 4.320 0.001 0.000 0.262 272 K C -0.151 176.409 176.600 -0.067 0.000 1.024 272 K CA 0.199 56.450 56.287 -0.060 0.000 0.748 272 K CB -1.930 30.544 32.500 -0.043 0.000 1.247 272 K HN 0.215 nan 8.250 nan 0.000 0.482 273 L N 1.363 122.505 121.223 -0.134 0.000 2.417 273 L HA 0.265 4.606 4.340 0.001 0.000 0.268 273 L C -1.267 175.521 176.870 -0.137 0.000 1.158 273 L CA -1.931 52.793 54.840 -0.193 0.000 0.819 273 L CB 0.116 41.917 42.059 -0.430 0.000 1.112 273 L HN -0.023 nan 8.230 nan 0.000 0.458 274 P HA 0.043 nan 4.420 nan 0.000 0.268 274 P C -0.256 176.995 177.300 -0.081 0.000 1.208 274 P CA -0.259 62.797 63.100 -0.074 0.000 0.777 274 P CB 0.587 32.255 31.700 -0.053 0.000 0.875 275 N N 1.868 120.532 118.700 -0.060 0.000 2.025 275 N HA -0.169 4.571 4.740 0.001 0.000 0.194 275 N C 1.473 176.953 175.510 -0.050 0.000 1.044 275 N CA 1.458 54.477 53.050 -0.053 0.000 0.851 275 N CB -0.628 37.837 38.487 -0.037 0.000 1.036 275 N HN 0.508 nan 8.380 nan 0.000 0.422 276 K N 0.434 120.809 120.400 -0.041 0.000 2.444 276 K HA -0.086 4.235 4.320 0.001 0.000 0.200 276 K C 1.599 178.179 176.600 -0.034 0.000 1.045 276 K CA 0.444 56.711 56.287 -0.033 0.000 0.934 276 K CB 0.128 32.611 32.500 -0.029 0.000 0.756 276 K HN -0.001 nan 8.250 nan 0.000 0.477 277 V N -0.856 119.027 119.914 -0.052 0.000 2.490 277 V HA -0.139 3.982 4.120 0.001 0.000 0.238 277 V C 1.868 177.923 176.094 -0.066 0.000 1.056 277 V CA 0.848 63.115 62.300 -0.055 0.000 1.075 277 V CB 0.378 32.145 31.823 -0.092 0.000 0.746 277 V HN 0.002 nan 8.190 nan 0.000 0.479 278 V N 0.558 120.408 119.914 -0.106 0.000 2.469 278 V HA -0.268 3.852 4.120 0.001 0.000 0.251 278 V C 2.151 178.225 176.094 -0.033 0.000 1.064 278 V CA 2.148 64.393 62.300 -0.090 0.000 1.066 278 V CB -0.723 31.037 31.823 -0.105 0.000 0.667 278 V HN 0.552 nan 8.190 nan 0.000 0.461 279 D N 0.007 120.391 120.400 -0.026 0.000 2.077 279 D HA -0.146 4.495 4.640 0.001 0.000 0.197 279 D C 2.215 178.518 176.300 0.005 0.000 0.983 279 D CA 1.422 55.417 54.000 -0.007 0.000 0.841 279 D CB -0.263 40.531 40.800 -0.010 0.000 0.992 279 D HN 0.428 nan 8.370 nan 0.000 0.450 280 E N 0.442 120.643 120.200 0.002 0.000 2.267 280 E HA -0.117 4.234 4.350 0.001 0.000 0.197 280 E C 1.618 178.237 176.600 0.031 0.000 0.998 280 E CA 0.944 57.352 56.400 0.013 0.000 0.830 280 E CB -0.152 29.551 29.700 0.004 0.000 0.751 280 E HN 0.236 nan 8.360 nan 0.000 0.491 281 A N 0.137 122.976 122.820 0.032 0.000 1.829 281 A HA -0.099 4.222 4.320 0.001 0.000 0.216 281 A C 2.501 180.123 177.584 0.063 0.000 1.207 281 A CA 1.850 53.925 52.037 0.063 0.000 0.622 281 A CB -1.580 17.451 19.000 0.052 0.000 0.846 281 A HN 0.419 nan 8.150 nan 0.000 0.447 282 G N -0.683 108.148 108.800 0.052 0.000 2.469 282 G HA2 -0.065 3.896 3.960 0.001 0.000 0.220 282 G HA3 -0.065 3.896 3.960 0.001 0.000 0.220 282 G C 1.729 176.655 174.900 0.043 0.000 1.136 282 G CA 1.948 47.078 45.100 0.049 0.000 0.759 282 G HN 0.978 nan 8.290 nan 0.000 0.562 283 A N 1.059 123.904 122.820 0.041 0.000 1.894 283 A HA -0.205 4.116 4.320 0.001 0.000 0.220 283 A C 2.418 180.036 177.584 0.057 0.000 1.237 283 A CA 2.001 54.066 52.037 0.046 0.000 0.660 283 A CB -0.543 18.481 19.000 0.041 0.000 0.835 283 A HN 0.433 nan 8.150 nan 0.000 0.461 284 I N -0.991 119.615 120.570 0.060 0.000 2.193 284 I HA -0.175 3.996 4.170 0.001 0.000 0.240 284 I C 2.439 178.586 176.117 0.050 0.000 1.084 284 I CA 0.861 62.203 61.300 0.070 0.000 1.365 284 I CB -0.419 37.621 38.000 0.068 0.000 1.064 284 I HN 0.328 nan 8.210 nan 0.000 0.410 285 L N 0.478 121.729 121.223 0.046 0.000 2.085 285 L HA -0.346 3.995 4.340 0.001 0.000 0.218 285 L C 2.612 179.495 176.870 0.021 0.000 1.080 285 L CA 1.940 56.802 54.840 0.037 0.000 0.776 285 L CB -0.535 41.552 42.059 0.047 0.000 0.891 285 L HN 0.368 nan 8.230 nan 0.000 0.437 286 T N -0.792 113.775 114.554 0.021 0.000 2.612 286 T HA -0.133 4.217 4.350 0.001 0.000 0.259 286 T C 1.818 176.507 174.700 -0.019 0.000 1.065 286 T CA 1.340 63.443 62.100 0.005 0.000 1.167 286 T CB -0.268 68.609 68.868 0.015 0.000 0.863 286 T HN 0.527 nan 8.240 nan 0.000 0.407 287 A N 0.816 123.633 122.820 -0.006 0.000 2.054 287 A HA -0.134 4.187 4.320 0.001 0.000 0.223 287 A C 2.211 179.714 177.584 -0.135 0.000 1.169 287 A CA 1.549 53.548 52.037 -0.064 0.000 0.655 287 A CB -0.886 18.145 19.000 0.052 0.000 0.812 287 A HN 0.440 nan 8.150 nan 0.000 0.462 288 L N -0.844 120.346 121.223 -0.055 0.000 2.027 288 L HA -0.018 4.323 4.340 0.001 0.000 0.206 288 L C 2.846 179.672 176.870 -0.075 0.000 1.074 288 L CA 1.941 56.744 54.840 -0.061 0.000 0.745 288 L CB -0.567 41.477 42.059 -0.025 0.000 0.898 288 L HN 0.341 nan 8.230 nan 0.000 0.433 289 A N -0.952 121.838 122.820 -0.050 0.000 1.902 289 A HA -0.216 4.105 4.320 0.001 0.000 0.217 289 A C 1.978 179.514 177.584 -0.079 0.000 1.181 289 A CA 1.975 53.983 52.037 -0.048 0.000 0.623 289 A CB -0.709 18.270 19.000 -0.034 0.000 0.818 289 A HN 0.495 nan 8.150 nan 0.000 0.443 290 D N -0.388 119.949 120.400 -0.105 0.000 2.149 290 D HA 0.034 4.675 4.640 0.001 0.000 0.201 290 D C 0.379 176.564 176.300 -0.192 0.000 0.972 290 D CA 0.811 54.736 54.000 -0.125 0.000 0.835 290 D CB -0.083 40.648 40.800 -0.114 0.000 0.966 290 D HN 0.449 nan 8.370 nan 0.000 0.476 291 I N 1.559 121.956 120.570 -0.287 0.000 2.330 291 I HA 0.148 4.319 4.170 0.001 0.000 0.286 291 I C -1.813 174.151 176.117 -0.256 0.000 1.025 291 I CA -1.594 59.483 61.300 -0.372 0.000 1.197 291 I CB 2.131 39.679 38.000 -0.753 0.000 1.358 291 I HN -0.230 nan 8.210 nan 0.000 0.467 292 P HA 0.106 nan 4.420 nan 0.000 0.245 292 P C -0.358 176.873 177.300 -0.115 0.000 1.203 292 P CA 0.444 63.481 63.100 -0.105 0.000 0.792 292 P CB 0.380 32.039 31.700 -0.068 0.000 0.997 293 R N -0.621 119.776 120.500 -0.171 0.000 2.621 293 R HA 0.327 4.668 4.340 0.001 0.000 0.284 293 R C -2.432 173.714 176.300 -0.257 0.000 0.998 293 R CA -2.090 53.897 56.100 -0.189 0.000 0.895 293 R CB 1.046 31.265 30.300 -0.136 0.000 1.195 293 R HN -0.255 nan 8.270 nan 0.000 0.450 294 P HA -0.156 nan 4.420 nan 0.000 0.219 294 P C 0.204 177.333 177.300 -0.285 0.000 1.146 294 P CA 1.268 64.091 63.100 -0.462 0.000 0.808 294 P CB 0.367 31.202 31.700 -1.441 0.000 0.779 295 E N -0.565 119.473 120.200 -0.270 0.000 2.427 295 E HA 0.056 4.407 4.350 0.001 0.000 0.196 295 E C 1.851 178.486 176.600 0.060 0.000 1.028 295 E CA 0.777 57.173 56.400 -0.005 0.000 0.864 295 E CB -0.740 28.988 29.700 0.047 0.000 0.813 295 E HN 0.192 nan 8.360 nan 0.000 0.514 296 A N 0.062 122.874 122.820 -0.015 0.000 2.218 296 A HA 0.052 4.372 4.320 0.001 0.000 0.209 296 A C -0.094 177.490 177.584 0.000 0.000 1.168 296 A CA -0.453 51.565 52.037 -0.031 0.000 0.804 296 A CB -0.450 18.484 19.000 -0.111 0.000 0.834 296 A HN 0.225 nan 8.150 nan 0.000 0.482 297 W N 1.174 122.471 121.300 -0.005 0.000 2.295 297 W HA 0.220 4.880 4.660 0.001 0.000 0.335 297 W C -0.053 176.506 176.519 0.068 0.000 1.351 297 W CA 0.869 58.236 57.345 0.037 0.000 1.273 297 W CB 0.442 29.933 29.460 0.051 0.000 1.214 297 W HN 0.029 nan 8.180 nan 0.000 0.563 298 T N 4.472 119.232 114.554 0.345 0.000 2.797 298 T HA 0.056 4.407 4.350 0.001 0.000 0.279 298 T C 1.080 175.950 174.700 0.283 0.000 0.991 298 T CA -0.881 61.364 62.100 0.240 0.000 0.979 298 T CB 1.284 70.250 68.868 0.164 0.000 0.943 298 T HN 0.335 nan 8.240 nan 0.000 0.444 299 N N 2.227 121.064 118.700 0.227 0.000 2.111 299 N HA -0.199 4.542 4.740 0.001 0.000 0.197 299 N C 1.703 177.397 175.510 0.307 0.000 1.011 299 N CA 1.668 54.858 53.050 0.234 0.000 0.880 299 N CB 0.023 38.608 38.487 0.163 0.000 1.031 299 N HN 0.717 nan 8.380 nan 0.000 0.444 300 E N 0.695 121.069 120.200 0.289 0.000 2.005 300 E HA -0.201 4.150 4.350 0.001 0.000 0.198 300 E C 2.014 178.882 176.600 0.447 0.000 1.010 300 E CA 1.061 57.696 56.400 0.392 0.000 0.825 300 E CB -0.330 29.519 29.700 0.248 0.000 0.769 300 E HN 0.513 nan 8.360 nan 0.000 0.456 301 Q N 0.426 120.453 119.800 0.379 0.000 2.112 301 Q HA -0.213 4.128 4.340 0.001 0.000 0.206 301 Q C 2.407 178.749 176.000 0.571 0.000 0.987 301 Q CA 1.154 57.203 55.803 0.411 0.000 0.858 301 Q CB -0.323 28.600 28.738 0.309 0.000 0.905 301 Q HN 0.172 nan 8.270 nan 0.000 0.420 302 L N 0.431 122.009 121.223 0.590 0.000 1.955 302 L HA -0.179 4.162 4.340 0.001 0.000 0.213 302 L C 2.205 179.301 176.870 0.377 0.000 1.072 302 L CA 1.731 56.799 54.840 0.379 0.000 0.755 302 L CB -0.859 41.366 42.059 0.277 0.000 0.888 302 L HN 0.197 nan 8.230 nan 0.000 0.432 303 F N -0.633 119.463 119.950 0.243 0.000 2.141 303 F HA -0.349 4.178 4.527 0.001 0.000 0.300 303 F C 2.457 178.278 175.800 0.035 0.000 1.079 303 F CA 1.970 60.050 58.000 0.134 0.000 1.264 303 F CB -0.193 38.805 39.000 -0.004 0.000 1.011 303 F HN 0.148 nan 8.300 nan 0.000 0.487 304 S N -0.344 115.626 115.700 0.450 0.000 2.371 304 S HA -0.035 4.436 4.470 0.001 0.000 0.224 304 S C 2.058 176.767 174.600 0.182 0.000 1.029 304 S CA 0.905 59.288 58.200 0.306 0.000 0.978 304 S CB -0.385 63.014 63.200 0.332 0.000 0.833 304 S HN 0.528 nan 8.310 nan 0.000 0.466 305 A N 0.298 123.248 122.820 0.215 0.000 1.984 305 A HA 0.517 4.838 4.320 0.001 0.000 0.214 305 A C 1.174 178.758 177.584 -0.000 0.000 1.173 305 A CA 0.750 52.874 52.037 0.145 0.000 0.673 305 A CB -0.788 18.383 19.000 0.284 0.000 0.830 305 A HN 0.998 nan 8.150 nan 0.000 0.453 306 G N -0.730 108.036 108.800 -0.057 0.000 3.285 306 G HA2 0.019 3.979 3.960 0.001 0.000 0.685 306 G HA3 0.019 3.979 3.960 0.001 0.000 0.685 306 G C 0.247 174.825 174.900 -0.535 0.000 0.938 306 G CA -0.036 44.906 45.100 -0.262 0.000 0.778 306 G HN 1.131 nan 8.290 nan 0.000 0.515 307 L N 1.435 121.963 121.223 -1.158 0.000 2.239 307 L HA -0.313 4.027 4.340 0.001 0.000 0.242 307 L C 2.735 179.295 176.870 -0.517 0.000 1.130 307 L CA 3.463 57.706 54.840 -0.996 0.000 0.852 307 L CB -0.602 40.688 42.059 -1.281 0.000 0.959 307 L HN 0.837 nan 8.230 nan 0.000 0.447 308 E N -0.676 119.272 120.200 -0.419 0.000 2.065 308 E HA -0.277 4.074 4.350 0.001 0.000 0.201 308 E C 2.377 178.865 176.600 -0.187 0.000 1.016 308 E CA 1.807 58.051 56.400 -0.260 0.000 0.818 308 E CB -0.496 29.083 29.700 -0.201 0.000 0.749 308 E HN 0.561 nan 8.360 nan 0.000 0.453 309 R N 0.236 120.641 120.500 -0.159 0.000 2.075 309 R HA -0.082 4.258 4.340 0.001 0.000 0.232 309 R C 2.213 178.493 176.300 -0.034 0.000 1.126 309 R CA 1.191 57.254 56.100 -0.062 0.000 0.963 309 R CB -0.188 30.102 30.300 -0.017 0.000 0.858 309 R HN 0.157 nan 8.270 nan 0.000 0.435 310 A N 1.486 124.203 122.820 -0.171 0.000 1.849 310 A HA -0.224 4.097 4.320 0.001 0.000 0.217 310 A C 2.220 179.718 177.584 -0.143 0.000 1.202 310 A CA 1.743 53.559 52.037 -0.367 0.000 0.629 310 A CB -0.899 17.613 19.000 -0.813 0.000 0.834 310 A HN 0.310 nan 8.150 nan 0.000 0.447 311 L N -0.578 120.573 121.223 -0.120 0.000 1.978 311 L HA -0.268 4.073 4.340 0.001 0.000 0.218 311 L C 2.834 179.851 176.870 0.245 0.000 1.075 311 L CA 1.916 56.828 54.840 0.120 0.000 0.767 311 L CB -0.877 41.094 42.059 -0.147 0.000 0.890 311 L HN 0.354 nan 8.230 nan 0.000 0.434 312 S N -0.620 115.127 115.700 0.079 0.000 2.389 312 S HA -0.214 4.257 4.470 0.001 0.000 0.231 312 S C 2.005 176.688 174.600 0.137 0.000 1.052 312 S CA 1.572 59.824 58.200 0.086 0.000 1.053 312 S CB -0.406 62.803 63.200 0.016 0.000 0.886 312 S HN 0.215 nan 8.310 nan 0.000 0.456 313 V N 1.875 121.892 119.914 0.172 0.000 2.219 313 V HA -0.180 3.941 4.120 0.001 0.000 0.248 313 V C 2.500 178.713 176.094 0.198 0.000 1.053 313 V CA 1.842 64.275 62.300 0.221 0.000 1.009 313 V CB -0.666 31.418 31.823 0.435 0.000 0.636 313 V HN 0.395 nan 8.190 nan 0.000 0.445 314 E N 0.039 120.379 120.200 0.232 0.000 2.204 314 E HA -0.157 4.194 4.350 0.001 0.000 0.195 314 E C 2.271 178.939 176.600 0.114 0.000 0.990 314 E CA 1.639 58.123 56.400 0.140 0.000 0.821 314 E CB -0.680 29.072 29.700 0.086 0.000 0.750 314 E HN 0.624 nan 8.360 nan 0.000 0.477 315 T N 0.722 115.410 114.554 0.222 0.000 2.951 315 T HA -0.042 4.308 4.350 0.001 0.000 0.268 315 T C 2.074 176.877 174.700 0.172 0.000 1.073 315 T CA 0.868 63.134 62.100 0.276 0.000 1.134 315 T CB 0.027 69.114 68.868 0.366 0.000 0.884 315 T HN -0.008 nan 8.240 nan 0.000 0.479 316 V N 1.482 121.457 119.914 0.101 0.000 2.283 316 V HA -0.086 4.035 4.120 0.001 0.000 0.243 316 V C 2.527 178.635 176.094 0.023 0.000 1.039 316 V CA 1.502 63.816 62.300 0.023 0.000 1.016 316 V CB -0.665 31.145 31.823 -0.022 0.000 0.650 316 V HN 0.321 nan 8.190 nan 0.000 0.449 317 R N 0.714 121.237 120.500 0.038 0.000 2.140 317 R HA -0.273 4.068 4.340 0.001 0.000 0.250 317 R C 2.219 178.569 176.300 0.084 0.000 1.150 317 R CA 2.080 58.216 56.100 0.059 0.000 0.966 317 R CB -0.544 29.779 30.300 0.037 0.000 0.869 317 R HN 0.501 nan 8.270 nan 0.000 0.445 318 A N 0.742 123.608 122.820 0.076 0.000 1.835 318 A HA -0.114 4.207 4.320 0.001 0.000 0.215 318 A C 2.444 180.060 177.584 0.054 0.000 1.199 318 A CA 1.855 53.931 52.037 0.065 0.000 0.615 318 A CB -1.241 17.826 19.000 0.110 0.000 0.838 318 A HN 0.566 nan 8.150 nan 0.000 0.444 319 A N -1.774 121.102 122.820 0.095 0.000 2.093 319 A HA -0.156 4.164 4.320 0.001 0.000 0.222 319 A C 1.962 179.605 177.584 0.098 0.000 1.162 319 A CA 2.045 54.122 52.037 0.067 0.000 0.655 319 A CB -0.676 18.331 19.000 0.011 0.000 0.805 319 A HN 0.786 nan 8.150 nan 0.000 0.461 320 F N 1.129 121.035 119.950 -0.074 0.000 2.220 320 F HA -0.032 4.496 4.527 0.002 0.000 0.290 320 F C 2.644 178.332 175.800 -0.186 0.000 1.080 320 F CA 2.042 59.962 58.000 -0.134 0.000 1.318 320 F CB -0.860 38.047 39.000 -0.155 0.000 1.063 320 F HN 0.302 nan 8.300 nan 0.000 0.498 321 T N -2.366 112.001 114.554 -0.312 0.000 2.668 321 T HA 0.270 4.621 4.350 0.001 0.000 0.258 321 T C 1.978 176.507 174.700 -0.285 0.000 1.051 321 T CA 1.543 63.411 62.100 -0.387 0.000 1.155 321 T CB -0.854 67.909 68.868 -0.176 0.000 0.864 321 T HN 0.613 nan 8.240 nan 0.000 0.413 322 G N 1.182 109.886 108.800 -0.160 0.000 2.480 322 G HA2 0.162 4.123 3.960 0.001 0.000 0.193 322 G HA3 0.162 4.123 3.960 0.001 0.000 0.193 322 G C 0.334 175.188 174.900 -0.075 0.000 1.004 322 G CA -0.054 44.976 45.100 -0.116 0.000 0.696 322 G HN 1.096 nan 8.290 nan 0.000 0.478 323 A N 1.923 124.711 122.820 -0.053 0.000 2.451 323 A HA 0.643 4.964 4.320 0.001 0.000 0.266 323 A C -1.922 175.664 177.584 0.003 0.000 1.119 323 A CA -0.657 51.379 52.037 -0.002 0.000 0.786 323 A CB -0.116 18.921 19.000 0.061 0.000 1.061 323 A HN 0.158 nan 8.150 nan 0.000 0.503 324 P HA 0.169 nan 4.420 nan 0.000 0.267 324 P C -2.014 175.252 177.300 -0.057 0.000 1.205 324 P CA -0.874 62.154 63.100 -0.119 0.000 0.765 324 P CB 0.431 32.029 31.700 -0.171 0.000 0.828 325 P HA -0.079 nan 4.420 nan 0.000 0.225 325 P C 1.539 178.722 177.300 -0.195 0.000 1.156 325 P CA 0.998 64.012 63.100 -0.143 0.000 0.787 325 P CB -0.151 31.353 31.700 -0.327 0.000 0.802 326 G N 1.925 110.655 108.800 -0.116 0.000 2.864 326 G HA2 -0.289 3.672 3.960 0.001 0.000 0.250 326 G HA3 -0.289 3.672 3.960 0.001 0.000 0.250 326 G C -0.755 174.092 174.900 -0.089 0.000 1.154 326 G CA 1.972 47.038 45.100 -0.056 0.000 0.755 326 G HN 0.247 nan 8.290 nan 0.000 0.697 327 P HA -0.115 nan 4.420 nan 0.000 0.216 327 P C 1.421 178.481 177.300 -0.400 0.000 1.150 327 P CA 1.624 64.472 63.100 -0.419 0.000 0.837 327 P CB -0.178 31.099 31.700 -0.705 0.000 0.786 328 W N -0.964 120.309 121.300 -0.045 0.000 2.380 328 W HA -0.098 4.562 4.660 0.001 0.000 0.317 328 W C 2.660 179.187 176.519 0.013 0.000 1.196 328 W CA 0.905 58.231 57.345 -0.032 0.000 1.307 328 W CB -1.524 27.896 29.460 -0.067 0.000 1.157 328 W HN 0.126 nan 8.180 nan 0.000 0.483 329 H N -0.459 118.739 119.070 0.215 0.000 2.330 329 H HA -0.300 4.257 4.556 0.001 0.000 0.290 329 H C 1.945 177.295 175.328 0.038 0.000 1.111 329 H CA 1.714 57.817 56.048 0.091 0.000 1.226 329 H CB -0.106 29.715 29.762 0.100 0.000 1.355 329 H HN 0.094 nan 8.280 nan 0.000 0.485 330 E N 1.079 121.368 120.200 0.149 0.000 2.152 330 E HA -0.093 4.258 4.350 0.001 0.000 0.192 330 E C 1.917 178.545 176.600 0.047 0.000 0.983 330 E CA 1.110 57.546 56.400 0.059 0.000 0.818 330 E CB 0.131 29.832 29.700 0.001 0.000 0.758 330 E HN 0.294 nan 8.360 nan 0.000 0.467 331 K N -0.351 120.086 120.400 0.061 0.000 2.103 331 K HA 0.049 4.370 4.320 0.001 0.000 0.204 331 K C 2.049 178.712 176.600 0.105 0.000 1.052 331 K CA 1.040 57.380 56.287 0.088 0.000 0.945 331 K CB -0.043 32.543 32.500 0.143 0.000 0.722 331 K HN 0.135 nan 8.250 nan 0.000 0.443 332 L N 0.273 121.554 121.223 0.097 0.000 1.994 332 L HA -0.164 4.177 4.340 0.001 0.000 0.208 332 L C 2.429 179.326 176.870 0.045 0.000 1.071 332 L CA 1.292 56.140 54.840 0.013 0.000 0.745 332 L CB -0.437 41.557 42.059 -0.107 0.000 0.892 332 L HN 0.117 nan 8.230 nan 0.000 0.431 333 R N -0.166 120.359 120.500 0.042 0.000 2.170 333 R HA -0.167 4.174 4.340 0.001 0.000 0.242 333 R C 2.464 178.818 176.300 0.091 0.000 1.145 333 R CA 1.331 57.463 56.100 0.053 0.000 0.984 333 R CB -0.152 30.164 30.300 0.027 0.000 0.869 333 R HN 0.403 nan 8.270 nan 0.000 0.455 334 R N -0.302 120.243 120.500 0.076 0.000 2.051 334 R HA 0.006 4.347 4.340 0.001 0.000 0.225 334 R C 2.339 178.687 176.300 0.081 0.000 1.155 334 R CA 0.858 56.998 56.100 0.066 0.000 0.945 334 R CB -0.236 30.094 30.300 0.051 0.000 0.840 334 R HN 0.119 nan 8.270 nan 0.000 0.432 335 R N -0.013 120.544 120.500 0.095 0.000 2.113 335 R HA -0.200 4.141 4.340 0.001 0.000 0.244 335 R C 2.169 178.536 176.300 0.112 0.000 1.142 335 R CA 1.848 58.009 56.100 0.102 0.000 0.953 335 R CB -0.482 29.891 30.300 0.121 0.000 0.860 335 R HN 0.188 nan 8.270 nan 0.000 0.438 336 F N 0.792 120.736 119.950 -0.011 0.000 2.293 336 F HA -0.051 4.477 4.527 0.001 0.000 0.300 336 F C 1.795 177.583 175.800 -0.019 0.000 1.086 336 F CA 1.175 59.160 58.000 -0.025 0.000 1.375 336 F CB 0.028 38.984 39.000 -0.073 0.000 1.045 336 F HN -0.051 nan 8.300 nan 0.000 0.516 337 A N -1.332 121.497 122.820 0.015 0.000 2.337 337 A HA 0.249 4.570 4.320 0.001 0.000 0.227 337 A C 1.497 179.037 177.584 -0.074 0.000 1.259 337 A CA 0.753 52.754 52.037 -0.061 0.000 0.870 337 A CB -0.608 18.411 19.000 0.031 0.000 0.927 337 A HN 0.312 nan 8.150 nan 0.000 0.497 338 S N -0.799 114.859 115.700 -0.071 0.000 2.628 338 S HA 0.259 4.730 4.470 0.001 0.000 0.246 338 S C 0.340 174.911 174.600 -0.048 0.000 1.062 338 S CA -0.450 57.726 58.200 -0.040 0.000 1.028 338 S CB -0.179 63.022 63.200 0.001 0.000 0.985 338 S HN 0.417 nan 8.310 nan 0.000 0.551 339 L N 3.425 124.596 121.223 -0.087 0.000 2.700 339 L HA 0.046 4.386 4.340 0.001 0.000 0.276 339 L C -1.745 175.086 176.870 -0.065 0.000 1.200 339 L CA -0.813 53.991 54.840 -0.060 0.000 0.951 339 L CB 0.103 42.083 42.059 -0.131 0.000 1.226 339 L HN 0.049 nan 8.230 nan 0.000 0.489 340 P HA -0.086 nan 4.420 nan 0.000 0.223 340 P C -0.162 177.137 177.300 -0.001 0.000 1.144 340 P CA 1.182 64.277 63.100 -0.009 0.000 0.783 340 P CB 0.098 31.800 31.700 0.003 0.000 0.771 341 I N -7.093 113.499 120.570 0.036 0.000 2.994 341 I HA 0.498 4.669 4.170 0.001 0.000 0.306 341 I C 0.181 176.288 176.117 -0.017 0.000 1.195 341 I CA -1.167 60.163 61.300 0.049 0.000 1.001 341 I CB 2.686 40.786 38.000 0.167 0.000 1.244 341 I HN -0.517 nan 8.210 nan 0.000 0.437 342 K N 0.811 121.074 120.400 -0.227 0.000 2.425 342 K HA 0.261 4.581 4.320 0.001 0.000 0.201 342 K C 0.177 176.306 176.600 -0.784 0.000 1.128 342 K CA 0.545 56.483 56.287 -0.583 0.000 1.000 342 K CB 0.877 32.975 32.500 -0.670 0.000 0.961 342 K HN 0.900 nan 8.250 nan 0.000 0.555 343 T N -2.634 111.619 114.554 -0.502 0.000 2.858 343 T HA 0.388 4.739 4.350 0.001 0.000 0.285 343 T C 0.621 175.268 174.700 -0.089 0.000 1.052 343 T CA -0.939 60.889 62.100 -0.453 0.000 1.009 343 T CB 1.837 70.584 68.868 -0.203 0.000 1.241 343 T HN -0.231 nan 8.240 nan 0.000 0.542 344 K N -0.020 120.371 120.400 -0.016 0.000 2.167 344 K HA 0.089 4.410 4.320 0.001 0.000 0.203 344 K C 2.365 178.989 176.600 0.040 0.000 1.052 344 K CA 0.979 57.308 56.287 0.071 0.000 0.956 344 K CB -0.580 31.922 32.500 0.003 0.000 0.735 344 K HN 0.768 nan 8.250 nan 0.000 0.451 345 G N 1.140 109.938 108.800 -0.004 0.000 2.470 345 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 345 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 345 G C 1.160 176.061 174.900 0.001 0.000 1.121 345 G CA 0.459 45.555 45.100 -0.006 0.000 0.766 345 G HN 0.316 nan 8.290 nan 0.000 0.553 346 E N -0.845 119.358 120.200 0.005 0.000 2.268 346 E HA -0.002 4.349 4.350 0.001 0.000 0.195 346 E C 0.352 176.971 176.600 0.032 0.000 0.995 346 E CA -0.459 55.947 56.400 0.010 0.000 0.836 346 E CB -0.058 29.643 29.700 0.002 0.000 0.763 346 E HN 0.202 nan 8.360 nan 0.000 0.491 347 L N 0.880 122.135 121.223 0.054 0.000 2.660 347 L HA -0.107 4.234 4.340 0.001 0.000 0.272 347 L C 1.059 177.955 176.870 0.044 0.000 1.194 347 L CA 0.474 55.351 54.840 0.062 0.000 0.945 347 L CB 0.654 42.762 42.059 0.083 0.000 1.212 347 L HN -0.024 nan 8.230 nan 0.000 0.490 348 A N 4.378 127.227 122.820 0.048 0.000 2.225 348 A HA 0.061 4.382 4.320 0.001 0.000 0.215 348 A C 0.722 178.335 177.584 0.048 0.000 1.164 348 A CA 0.604 52.670 52.037 0.047 0.000 0.710 348 A CB -0.211 18.826 19.000 0.061 0.000 0.780 348 A HN 0.415 nan 8.150 nan 0.000 0.473 349 V N 0.761 120.703 119.914 0.046 0.000 2.604 349 V HA 0.324 4.445 4.120 0.001 0.000 0.305 349 V C -0.716 175.351 176.094 -0.044 0.000 1.043 349 V CA -0.939 61.370 62.300 0.015 0.000 0.888 349 V CB 1.828 33.719 31.823 0.113 0.000 0.995 349 V HN 0.511 nan 8.190 nan 0.000 0.429 350 N N 3.275 121.895 118.700 -0.134 0.000 2.443 350 N HA 0.382 5.123 4.740 0.001 0.000 0.295 350 N C 1.201 176.613 175.510 -0.163 0.000 1.076 350 N CA 0.331 53.304 53.050 -0.128 0.000 0.919 350 N CB 2.059 40.464 38.487 -0.136 0.000 1.176 350 N HN 0.627 nan 8.380 nan 0.000 0.487 351 G N 2.220 110.948 108.800 -0.120 0.000 2.475 351 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 351 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 351 G C 1.066 175.867 174.900 -0.165 0.000 1.125 351 G CA 0.895 45.910 45.100 -0.142 0.000 0.755 351 G HN 0.701 nan 8.290 nan 0.000 0.565 352 K N 0.095 120.403 120.400 -0.152 0.000 2.217 352 K HA 0.002 4.323 4.320 0.001 0.000 0.202 352 K C 1.894 178.362 176.600 -0.219 0.000 1.051 352 K CA 0.884 57.090 56.287 -0.136 0.000 0.952 352 K CB 0.015 32.451 32.500 -0.106 0.000 0.736 352 K HN 0.152 nan 8.250 nan 0.000 0.453 353 D N 0.778 120.954 120.400 -0.373 0.000 2.117 353 D HA -0.120 4.520 4.640 0.001 0.000 0.198 353 D C 1.898 177.683 176.300 -0.858 0.000 0.982 353 D CA 0.860 54.385 54.000 -0.791 0.000 0.828 353 D CB -0.093 40.128 40.800 -0.966 0.000 0.967 353 D HN -0.105 nan 8.370 nan 0.000 0.464 354 V N 0.971 120.668 119.914 -0.361 0.000 2.594 354 V HA -0.193 3.928 4.120 0.001 0.000 0.253 354 V C 2.277 178.584 176.094 0.354 0.000 1.069 354 V CA 0.944 63.317 62.300 0.122 0.000 1.082 354 V CB -0.165 31.706 31.823 0.080 0.000 0.680 354 V HN 0.136 nan 8.190 nan 0.000 0.469 355 I N -0.190 120.492 120.570 0.186 0.000 2.141 355 I HA -0.162 4.008 4.170 0.001 0.000 0.236 355 I C 2.387 178.668 176.117 0.274 0.000 1.071 355 I CA 1.534 63.037 61.300 0.338 0.000 1.345 355 I CB -0.416 37.707 38.000 0.205 0.000 1.066 355 I HN 0.266 nan 8.210 nan 0.000 0.406 356 E N 0.158 120.437 120.200 0.131 0.000 2.501 356 E HA -0.239 4.111 4.350 0.001 0.000 0.203 356 E C 1.471 178.291 176.600 0.366 0.000 1.072 356 E CA 1.242 57.733 56.400 0.151 0.000 0.885 356 E CB -0.116 29.605 29.700 0.035 0.000 0.813 356 E HN 0.426 nan 8.360 nan 0.000 0.556 357 W N -1.357 120.058 121.300 0.191 0.000 2.798 357 W HA 0.224 4.885 4.660 0.001 0.000 0.260 357 W C 1.460 178.116 176.519 0.229 0.000 1.165 357 W CA 0.065 57.562 57.345 0.253 0.000 1.501 357 W CB -0.050 29.612 29.460 0.337 0.000 1.023 357 W HN -0.097 nan 8.180 nan 0.000 0.615 358 V N 0.507 120.684 119.914 0.438 0.000 3.542 358 V HA 0.277 4.397 4.120 0.001 0.000 0.296 358 V C 1.277 177.404 176.094 0.055 0.000 1.364 358 V CA 0.649 63.059 62.300 0.183 0.000 1.118 358 V CB -0.653 31.227 31.823 0.095 0.000 0.972 358 V HN 0.297 nan 8.190 nan 0.000 0.430 359 G N 1.943 110.823 108.800 0.134 0.000 2.395 359 G HA2 -0.320 3.640 3.960 0.001 0.000 0.292 359 G HA3 -0.320 3.640 3.960 0.001 0.000 0.292 359 G C -0.037 174.858 174.900 -0.008 0.000 0.953 359 G CA 1.263 46.407 45.100 0.073 0.000 1.207 359 G HN 0.616 nan 8.290 nan 0.000 0.503 360 K N 0.305 120.702 120.400 -0.006 0.000 2.350 360 K HA 0.763 5.084 4.320 0.001 0.000 0.241 360 K C -2.009 174.665 176.600 0.123 0.000 0.994 360 K CA -1.993 54.249 56.287 -0.074 0.000 0.839 360 K CB 2.203 34.414 32.500 -0.481 0.000 1.244 360 K HN 0.044 nan 8.250 nan 0.000 0.443 361 P HA 0.150 nan 4.420 nan 0.000 0.274 361 P C -1.048 176.435 177.300 0.304 0.000 1.246 361 P CA -0.492 62.708 63.100 0.166 0.000 0.795 361 P CB 0.857 32.624 31.700 0.111 0.000 1.006 362 A N 0.578 123.527 122.820 0.215 0.000 2.445 362 A HA 0.556 4.877 4.320 0.001 0.000 0.242 362 A C 0.745 178.436 177.584 0.179 0.000 1.075 362 A CA 0.889 53.034 52.037 0.180 0.000 0.777 362 A CB -0.687 18.358 19.000 0.075 0.000 1.013 362 A HN 0.861 nan 8.150 nan 0.000 0.493 363 G N 0.631 109.499 108.800 0.114 0.000 2.393 363 G HA2 0.438 4.399 3.960 0.001 0.000 0.264 363 G HA3 0.438 4.399 3.960 0.001 0.000 0.264 363 G C -2.362 172.547 174.900 0.016 0.000 1.221 363 G CA 0.230 45.400 45.100 0.117 0.000 0.912 363 G HN 0.374 nan 8.290 nan 0.000 0.483 364 P HA 0.034 nan 4.420 nan 0.000 0.216 364 P C 1.925 179.249 177.300 0.040 0.000 1.153 364 P CA 1.771 64.904 63.100 0.056 0.000 0.844 364 P CB -0.104 31.655 31.700 0.098 0.000 0.787 365 W N 0.442 121.759 121.300 0.029 0.000 2.308 365 W HA -0.179 4.482 4.660 0.001 0.000 0.301 365 W C 1.262 177.808 176.519 0.044 0.000 1.220 365 W CA 0.710 58.075 57.345 0.033 0.000 1.240 365 W CB -1.774 27.705 29.460 0.031 0.000 1.142 365 W HN -0.222 nan 8.180 nan 0.000 0.521 366 V N 2.469 121.631 119.914 -1.254 0.000 2.282 366 V HA -0.377 3.744 4.120 0.001 0.000 0.249 366 V C 2.915 178.720 176.094 -0.481 0.000 1.057 366 V CA 2.826 64.384 62.300 -1.236 0.000 1.032 366 V CB -1.209 30.042 31.823 -0.953 0.000 0.645 366 V HN 0.200 nan 8.190 nan 0.000 0.447 367 K N 0.308 120.545 120.400 -0.272 0.000 1.977 367 K HA -0.297 4.024 4.320 0.001 0.000 0.218 367 K C 2.142 178.711 176.600 -0.053 0.000 1.051 367 K CA 2.434 58.657 56.287 -0.107 0.000 0.953 367 K CB -0.422 32.049 32.500 -0.048 0.000 0.727 367 K HN 0.533 nan 8.250 nan 0.000 0.445 368 E N -0.115 120.074 120.200 -0.020 0.000 2.236 368 E HA -0.280 4.071 4.350 0.001 0.000 0.205 368 E C 1.821 178.445 176.600 0.040 0.000 1.028 368 E CA 1.410 57.825 56.400 0.026 0.000 0.827 368 E CB -0.178 29.565 29.700 0.071 0.000 0.735 368 E HN 0.506 nan 8.360 nan 0.000 0.470 369 A N 0.746 123.581 122.820 0.025 0.000 1.832 369 A HA -0.155 4.166 4.320 0.001 0.000 0.214 369 A C 2.165 179.800 177.584 0.085 0.000 1.200 369 A CA 1.173 53.267 52.037 0.095 0.000 0.610 369 A CB -0.746 18.279 19.000 0.040 0.000 0.842 369 A HN 0.140 nan 8.150 nan 0.000 0.444 370 L N -0.551 120.686 121.223 0.025 0.000 2.042 370 L HA -0.235 4.106 4.340 0.001 0.000 0.210 370 L C 2.306 179.211 176.870 0.057 0.000 1.076 370 L CA 1.836 56.713 54.840 0.062 0.000 0.749 370 L CB -0.829 41.257 42.059 0.044 0.000 0.893 370 L HN 0.497 nan 8.230 nan 0.000 0.432 371 D N 0.063 120.483 120.400 0.034 0.000 2.192 371 D HA -0.297 4.343 4.640 0.001 0.000 0.189 371 D C 2.022 178.090 176.300 -0.387 0.000 1.007 371 D CA 1.929 55.880 54.000 -0.081 0.000 0.859 371 D CB 0.029 40.815 40.800 -0.024 0.000 0.936 371 D HN 0.361 nan 8.370 nan 0.000 0.447 372 A N -0.934 121.784 122.820 -0.169 0.000 2.169 372 A HA 0.100 4.421 4.320 0.001 0.000 0.212 372 A C 2.073 179.592 177.584 -0.108 0.000 1.153 372 A CA 0.221 52.177 52.037 -0.136 0.000 0.756 372 A CB -0.366 18.676 19.000 0.070 0.000 0.813 372 A HN 0.337 nan 8.150 nan 0.000 0.471 373 I N -0.425 120.092 120.570 -0.089 0.000 2.286 373 I HA -0.207 3.964 4.170 0.001 0.000 0.245 373 I C 2.618 178.572 176.117 -0.272 0.000 1.104 373 I CA 1.223 62.387 61.300 -0.226 0.000 1.397 373 I CB -0.476 37.528 38.000 0.006 0.000 1.072 373 I HN 0.816 nan 8.210 nan 0.000 0.417 374 W N 2.347 123.529 121.300 -0.196 0.000 2.379 374 W HA -0.102 4.558 4.660 0.001 0.000 0.307 374 W C 1.897 178.215 176.519 -0.335 0.000 1.200 374 W CA 0.475 57.658 57.345 -0.270 0.000 1.297 374 W CB -0.978 28.313 29.460 -0.282 0.000 1.140 374 W HN -0.031 nan 8.180 nan 0.000 0.507 375 R N 1.132 121.089 120.500 -0.905 0.000 2.355 375 R HA -0.072 4.269 4.340 0.001 0.000 0.219 375 R C 2.242 178.303 176.300 -0.399 0.000 1.107 375 R CA 1.211 56.803 56.100 -0.847 0.000 1.021 375 R CB -0.247 29.456 30.300 -0.994 0.000 0.852 375 R HN 0.383 nan 8.270 nan 0.000 0.475 376 A N -0.188 122.385 122.820 -0.411 0.000 1.944 376 A HA 0.042 4.362 4.320 0.001 0.000 0.207 376 A C 2.157 179.529 177.584 -0.353 0.000 1.265 376 A CA 0.023 51.785 52.037 -0.458 0.000 0.712 376 A CB -0.045 18.332 19.000 -1.039 0.000 0.915 376 A HN 0.048 nan 8.150 nan 0.000 0.470 377 V N 0.210 119.945 119.914 -0.297 0.000 2.255 377 V HA -0.242 3.878 4.120 0.001 0.000 0.247 377 V C 2.569 178.617 176.094 -0.076 0.000 1.051 377 V CA 2.182 64.383 62.300 -0.165 0.000 1.018 377 V CB -0.976 30.798 31.823 -0.082 0.000 0.641 377 V HN 0.324 nan 8.190 nan 0.000 0.445 378 V N 0.675 120.570 119.914 -0.031 0.000 2.233 378 V HA -0.276 3.845 4.120 0.001 0.000 0.247 378 V C 1.930 178.037 176.094 0.021 0.000 1.050 378 V CA 2.293 64.613 62.300 0.033 0.000 1.010 378 V CB -0.868 31.005 31.823 0.083 0.000 0.637 378 V HN 0.628 nan 8.190 nan 0.000 0.444 379 N N 0.349 119.040 118.700 -0.016 0.000 2.575 379 N HA -0.009 4.731 4.740 0.001 0.000 0.192 379 N C 1.446 176.949 175.510 -0.012 0.000 1.200 379 N CA 0.895 53.944 53.050 -0.002 0.000 0.897 379 N CB 0.287 38.765 38.487 -0.015 0.000 0.990 379 N HN 0.687 nan 8.380 nan 0.000 0.449 380 G N 1.430 110.211 108.800 -0.030 0.000 2.155 380 G HA2 -0.329 3.632 3.960 0.001 0.000 0.257 380 G HA3 -0.329 3.632 3.960 0.001 0.000 0.257 380 G C 0.813 175.690 174.900 -0.038 0.000 0.983 380 G CA 0.692 45.775 45.100 -0.028 0.000 0.676 380 G HN 0.433 nan 8.290 nan 0.000 0.528 381 E N -1.115 119.046 120.200 -0.066 0.000 2.031 381 E HA 0.157 4.508 4.350 0.001 0.000 0.193 381 E C 1.257 177.818 176.600 -0.065 0.000 0.994 381 E CA 1.435 57.811 56.400 -0.041 0.000 0.800 381 E CB 0.222 29.902 29.700 -0.033 0.000 0.752 381 E HN 0.616 nan 8.360 nan 0.000 0.447 382 V N 1.101 120.884 119.914 -0.218 0.000 2.735 382 V HA 0.121 4.242 4.120 0.001 0.000 0.310 382 V C -0.581 175.423 176.094 -0.151 0.000 1.061 382 V CA -0.835 61.346 62.300 -0.199 0.000 0.913 382 V CB 1.849 33.397 31.823 -0.457 0.000 1.005 382 V HN 0.102 nan 8.190 nan 0.000 0.428 383 E N 3.320 123.484 120.200 -0.060 0.000 2.521 383 E HA -0.103 4.248 4.350 0.001 0.000 0.265 383 E C -0.415 176.162 176.600 -0.037 0.000 1.291 383 E CA 0.365 56.746 56.400 -0.031 0.000 1.092 383 E CB 0.288 29.991 29.700 0.006 0.000 0.992 383 E HN 0.651 nan 8.360 nan 0.000 0.492 384 N N 0.884 119.580 118.700 -0.007 0.000 2.908 384 N HA 0.025 4.765 4.740 0.001 0.000 0.316 384 N C -1.343 174.189 175.510 0.036 0.000 1.619 384 N CA 0.056 53.112 53.050 0.010 0.000 1.045 384 N CB 0.354 38.848 38.487 0.011 0.000 1.357 384 N HN 0.290 nan 8.380 nan 0.000 0.501 385 E N 0.287 120.520 120.200 0.054 0.000 2.256 385 E HA 0.190 4.540 4.350 0.001 0.000 0.267 385 E C 0.228 176.905 176.600 0.129 0.000 0.892 385 E CA -0.396 56.050 56.400 0.076 0.000 0.775 385 E CB 1.747 31.485 29.700 0.063 0.000 1.207 385 E HN 0.116 nan 8.360 nan 0.000 0.420 386 K N 1.933 122.427 120.400 0.156 0.000 1.987 386 K HA -0.265 4.056 4.320 0.001 0.000 0.216 386 K C 1.688 178.463 176.600 0.293 0.000 1.051 386 K CA 2.226 58.671 56.287 0.263 0.000 0.942 386 K CB -0.065 32.576 32.500 0.235 0.000 0.722 386 K HN 0.506 nan 8.250 nan 0.000 0.444 387 E N 0.412 120.726 120.200 0.191 0.000 2.048 387 E HA -0.269 4.081 4.350 0.001 0.000 0.202 387 E C 2.063 178.759 176.600 0.160 0.000 1.021 387 E CA 2.015 58.505 56.400 0.150 0.000 0.825 387 E CB -0.023 29.736 29.700 0.100 0.000 0.756 387 E HN 0.182 nan 8.360 nan 0.000 0.454 388 R N -0.241 120.340 120.500 0.135 0.000 2.081 388 R HA -0.061 4.279 4.340 0.001 0.000 0.235 388 R C 2.492 178.895 176.300 0.171 0.000 1.131 388 R CA 1.665 57.840 56.100 0.125 0.000 0.960 388 R CB -0.280 30.075 30.300 0.092 0.000 0.856 388 R HN 0.345 nan 8.270 nan 0.000 0.436 389 I N -0.307 120.385 120.570 0.202 0.000 2.493 389 I HA -0.282 3.889 4.170 0.001 0.000 0.254 389 I C 1.991 178.279 176.117 0.286 0.000 1.160 389 I CA 0.919 62.387 61.300 0.279 0.000 1.445 389 I CB -0.333 37.840 38.000 0.289 0.000 1.086 389 I HN 0.236 nan 8.210 nan 0.000 0.433 390 Y N 2.220 122.476 120.300 -0.074 0.000 2.070 390 Y HA -0.298 4.253 4.550 0.001 0.000 0.279 390 Y C 2.630 178.336 175.900 -0.323 0.000 1.134 390 Y CA 1.517 59.218 58.100 -0.666 0.000 1.113 390 Y CB -0.771 37.096 38.460 -0.988 0.000 0.981 390 Y HN 0.088 nan 8.280 nan 0.000 0.487 391 A N 0.214 122.802 122.820 -0.387 0.000 1.884 391 A HA -0.335 3.986 4.320 0.001 0.000 0.219 391 A C 2.203 179.653 177.584 -0.223 0.000 1.197 391 A CA 2.184 54.012 52.037 -0.349 0.000 0.637 391 A CB -2.027 16.915 19.000 -0.095 0.000 0.827 391 A HN 0.859 nan 8.150 nan 0.000 0.450 392 W N 0.040 121.238 121.300 -0.170 0.000 2.305 392 W HA -0.236 4.425 4.660 0.001 0.000 0.308 392 W C 1.836 178.291 176.519 -0.108 0.000 1.226 392 W CA 2.333 59.619 57.345 -0.099 0.000 1.253 392 W CB -0.318 29.123 29.460 -0.031 0.000 1.146 392 W HN 0.340 nan 8.180 nan 0.000 0.507 393 L N -0.045 121.197 121.223 0.032 0.000 2.049 393 L HA -0.141 4.200 4.340 0.001 0.000 0.203 393 L C 2.310 179.004 176.870 -0.292 0.000 1.074 393 L CA 1.945 56.736 54.840 -0.082 0.000 0.749 393 L CB -1.332 40.851 42.059 0.208 0.000 0.907 393 L HN -0.078 nan 8.230 nan 0.000 0.439 394 M N -0.106 119.234 119.600 -0.434 0.000 2.088 394 M HA -0.262 4.218 4.480 0.001 0.000 0.256 394 M C 2.194 178.290 176.300 -0.339 0.000 1.071 394 M CA 1.694 56.722 55.300 -0.452 0.000 1.097 394 M CB -1.270 30.882 32.600 -0.746 0.000 1.315 394 M HN 0.320 nan 8.290 nan 0.000 0.406 395 E N -0.803 119.183 120.200 -0.356 0.000 2.478 395 E HA -0.143 4.208 4.350 0.001 0.000 0.198 395 E C 1.646 178.053 176.600 -0.321 0.000 1.046 395 E CA 0.434 56.659 56.400 -0.291 0.000 0.870 395 E CB -0.073 29.480 29.700 -0.245 0.000 0.818 395 E HN 0.496 nan 8.360 nan 0.000 0.527 396 R N -0.518 119.727 120.500 -0.426 0.000 2.362 396 R HA 0.175 4.516 4.340 0.001 0.000 0.227 396 R C 0.960 177.088 176.300 -0.286 0.000 0.905 396 R CA 0.252 56.090 56.100 -0.437 0.000 1.067 396 R CB 0.299 30.140 30.300 -0.764 0.000 1.078 396 R HN -0.074 nan 8.270 nan 0.000 0.516 397 N N 1.376 119.938 118.700 -0.229 0.000 2.415 397 N HA -0.017 4.724 4.740 0.001 0.000 0.174 397 N C 1.093 176.525 175.510 -0.131 0.000 1.048 397 N CA 0.777 53.734 53.050 -0.154 0.000 0.895 397 N CB 0.211 38.623 38.487 -0.125 0.000 1.036 397 N HN 0.415 nan 8.380 nan 0.000 0.449 398 R N -0.706 119.711 120.500 -0.138 0.000 2.299 398 R HA 0.239 4.580 4.340 0.001 0.000 0.197 398 R C 1.077 177.312 176.300 -0.107 0.000 0.971 398 R CA 0.902 56.935 56.100 -0.112 0.000 1.030 398 R CB -0.559 29.677 30.300 -0.107 0.000 0.932 398 R HN -0.107 nan 8.270 nan 0.000 0.477 399 T N 0.867 115.344 114.554 -0.128 0.000 2.942 399 T HA 0.068 4.418 4.350 0.001 0.000 0.265 399 T C 1.478 176.121 174.700 -0.096 0.000 1.062 399 T CA 0.714 62.744 62.100 -0.116 0.000 1.139 399 T CB 0.011 68.789 68.868 -0.150 0.000 0.883 399 T HN 0.267 nan 8.240 nan 0.000 0.468 400 R N 0.974 121.415 120.500 -0.099 0.000 2.319 400 R HA 0.133 4.474 4.340 0.001 0.000 0.204 400 R C 1.409 177.669 176.300 -0.066 0.000 0.954 400 R CA 0.429 56.483 56.100 -0.077 0.000 1.066 400 R CB 0.178 30.433 30.300 -0.075 0.000 0.991 400 R HN 0.402 nan 8.270 nan 0.000 0.486 401 E N 0.440 120.599 120.200 -0.069 0.000 2.244 401 E HA 0.026 4.377 4.350 0.001 0.000 0.196 401 E C 1.358 177.927 176.600 -0.051 0.000 0.939 401 E CA 0.424 56.789 56.400 -0.059 0.000 0.884 401 E CB 0.292 29.955 29.700 -0.062 0.000 0.850 401 E HN 0.156 nan 8.360 nan 0.000 0.481 402 K N 0.901 121.268 120.400 -0.055 0.000 2.288 402 K HA 0.039 4.359 4.320 0.001 0.000 0.201 402 K C 1.606 178.181 176.600 -0.042 0.000 1.048 402 K CA 0.480 56.739 56.287 -0.047 0.000 0.956 402 K CB 0.162 32.631 32.500 -0.051 0.000 0.746 402 K HN -0.043 nan 8.250 nan 0.000 0.461 403 N N 0.154 118.827 118.700 -0.044 0.000 2.416 403 N HA -0.032 4.709 4.740 0.001 0.000 0.177 403 N C 0.765 176.255 175.510 -0.032 0.000 1.036 403 N CA 0.673 53.700 53.050 -0.038 0.000 0.901 403 N CB 0.149 38.611 38.487 -0.042 0.000 0.976 403 N HN 0.282 nan 8.380 nan 0.000 0.444 404 C N 0.000 119.280 119.300 -0.033 0.000 2.653 404 C HA 0.000 4.461 4.460 0.001 0.000 0.325 404 C CA 0.000 59.001 59.018 -0.028 0.000 1.963 404 C CB 0.000 27.725 27.740 -0.026 0.000 2.134 404 C HN 0.000 nan 8.230 nan 0.000 0.568