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 1j0z_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.603 177.584 0.031 0.000 1.274 1 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 2 V N 2.252 122.138 119.914 -0.046 0.000 2.694 2 V HA 0.160 4.277 4.120 -0.005 0.000 0.306 2 V C 0.593 176.689 176.094 0.004 0.000 1.054 2 V CA 1.096 63.382 62.300 -0.025 0.000 1.161 2 V CB -0.009 31.667 31.823 -0.244 0.000 0.916 2 V HN 1.048 nan 8.190 nan 0.000 0.490 3 N N 3.182 121.905 118.700 0.038 0.000 2.783 3 N HA -0.181 4.556 4.740 -0.005 0.000 0.247 3 N C 1.037 176.611 175.510 0.107 0.000 1.089 3 N CA 1.432 54.521 53.050 0.065 0.000 0.690 3 N CB -1.430 37.084 38.487 0.046 0.000 0.991 3 N HN 1.512 nan 8.380 nan 0.000 0.552 4 G N -0.958 107.929 108.800 0.144 0.000 2.186 4 G HA2 -0.423 3.534 3.960 -0.005 0.000 0.266 4 G HA3 -0.423 3.534 3.960 -0.005 0.000 0.266 4 G C 0.432 175.403 174.900 0.118 0.000 0.982 4 G CA 1.697 46.914 45.100 0.195 0.000 0.670 4 G HN 0.928 nan 8.290 nan 0.000 0.533 5 K N -0.547 119.903 120.400 0.083 0.000 2.632 5 K HA 0.793 5.110 4.320 -0.005 0.000 0.267 5 K C 0.856 177.473 176.600 0.028 0.000 1.028 5 K CA -0.374 55.948 56.287 0.058 0.000 1.045 5 K CB 0.876 33.403 32.500 0.046 0.000 1.400 5 K HN 0.508 nan 8.250 nan 0.000 0.522 6 G N -0.297 108.509 108.800 0.011 0.000 3.175 6 G HA2 0.415 4.372 3.960 -0.005 0.000 0.255 6 G HA3 0.415 4.372 3.960 -0.005 0.000 0.255 6 G C -0.380 174.509 174.900 -0.018 0.000 1.352 6 G CA -1.257 43.830 45.100 -0.021 0.000 1.037 6 G HN 0.780 nan 8.290 nan 0.000 0.556 7 M N -0.039 119.531 119.600 -0.050 0.000 2.207 7 M HA 0.307 4.783 4.480 -0.005 0.000 0.311 7 M C 0.037 176.354 176.300 0.028 0.000 1.127 7 M CA -0.447 54.847 55.300 -0.011 0.000 1.181 7 M CB 0.391 32.904 32.600 -0.146 0.000 1.409 7 M HN 0.381 nan 8.290 nan 0.000 0.461 8 N N 1.907 120.670 118.700 0.105 0.000 2.452 8 N HA 0.168 4.904 4.740 -0.005 0.000 0.266 8 N C -2.075 173.500 175.510 0.109 0.000 1.175 8 N CA -1.417 51.704 53.050 0.118 0.000 0.945 8 N CB 1.006 39.605 38.487 0.186 0.000 1.063 8 N HN 0.441 nan 8.380 nan 0.000 0.472 9 P HA -0.062 nan 4.420 nan 0.000 0.218 9 P C -0.022 177.300 177.300 0.037 0.000 1.148 9 P CA 1.161 64.278 63.100 0.028 0.000 0.822 9 P CB 0.304 32.010 31.700 0.010 0.000 0.784 10 D N -2.458 117.973 120.400 0.052 0.000 2.319 10 D HA -0.032 4.605 4.640 -0.005 0.000 0.230 10 D C 0.307 176.624 176.300 0.028 0.000 1.094 10 D CA -0.159 53.852 54.000 0.018 0.000 0.856 10 D CB -0.606 40.205 40.800 0.018 0.000 0.915 10 D HN 0.238 nan 8.370 nan 0.000 0.517 11 Y N 2.664 122.964 120.300 -0.001 0.000 2.721 11 Y HA 0.004 4.547 4.550 -0.010 0.000 0.329 11 Y C 0.067 175.928 175.900 -0.066 0.000 1.211 11 Y CA 0.182 58.297 58.100 0.026 0.000 1.512 11 Y CB 0.293 38.824 38.460 0.118 0.000 1.249 11 Y HN -0.335 nan 8.280 nan 0.000 0.549 12 K N 4.918 124.707 120.400 -1.019 0.000 2.435 12 K HA 0.743 5.060 4.320 -0.005 0.000 0.251 12 K C -1.312 174.474 176.600 -1.356 0.000 0.954 12 K CA -0.833 54.844 56.287 -1.016 0.000 0.820 12 K CB 2.011 34.068 32.500 -0.738 0.000 1.292 12 K HN 0.643 nan 8.250 nan 0.000 0.436 13 A N 2.197 124.506 122.820 -0.852 0.000 2.317 13 A HA 0.751 5.068 4.320 -0.005 0.000 0.327 13 A C -1.311 176.115 177.584 -0.263 0.000 1.178 13 A CA -0.504 51.288 52.037 -0.408 0.000 0.817 13 A CB 0.360 19.357 19.000 -0.005 0.000 1.189 13 A HN 0.607 nan 8.150 nan 0.000 0.489 14 Y N 0.679 121.165 120.300 0.310 0.000 2.562 14 Y HA 0.658 5.204 4.550 -0.006 0.000 0.343 14 Y C -0.363 175.646 175.900 0.182 0.000 1.025 14 Y CA -1.151 57.101 58.100 0.255 0.000 1.082 14 Y CB 2.106 40.640 38.460 0.123 0.000 1.264 14 Y HN 0.603 nan 8.280 nan 0.000 0.478 15 L N 2.617 123.902 121.223 0.104 0.000 2.381 15 L HA 0.540 4.877 4.340 -0.005 0.000 0.274 15 L C -1.111 175.714 176.870 -0.075 0.000 0.988 15 L CA -0.837 53.849 54.840 -0.257 0.000 0.824 15 L CB 1.549 43.073 42.059 -0.891 0.000 1.263 15 L HN 0.683 nan 8.230 nan 0.000 0.410 16 M N 4.258 123.821 119.600 -0.061 0.000 2.200 16 M HA 0.435 4.911 4.480 -0.005 0.000 0.355 16 M C 0.550 176.879 176.300 0.050 0.000 1.283 16 M CA -0.123 55.164 55.300 -0.021 0.000 1.124 16 M CB 1.183 33.759 32.600 -0.040 0.000 1.625 16 M HN 0.881 nan 8.290 nan 0.000 0.463 17 A N 6.157 128.999 122.820 0.037 0.000 2.327 17 A HA 0.551 4.868 4.320 -0.005 0.000 0.255 17 A C -2.460 175.108 177.584 -0.026 0.000 1.099 17 A CA -1.195 50.857 52.037 0.025 0.000 0.801 17 A CB -0.491 18.533 19.000 0.039 0.000 1.062 17 A HN 0.474 nan 8.150 nan 0.000 0.496 18 P HA 0.118 nan 4.420 nan 0.000 0.272 18 P C 0.590 177.897 177.300 0.011 0.000 1.254 18 P CA -0.440 62.639 63.100 -0.035 0.000 0.795 18 P CB 0.343 31.982 31.700 -0.101 0.000 1.022 19 L N -0.651 120.608 121.223 0.059 0.000 2.270 19 L HA 0.065 4.402 4.340 -0.005 0.000 0.210 19 L C 0.825 177.769 176.870 0.124 0.000 1.104 19 L CA 1.581 56.504 54.840 0.139 0.000 0.804 19 L CB -0.938 41.189 42.059 0.114 0.000 0.937 19 L HN 0.273 nan 8.230 nan 0.000 0.450 20 K N 0.237 120.656 120.400 0.031 0.000 2.118 20 K HA 0.222 4.539 4.320 -0.005 0.000 0.264 20 K C -0.008 176.571 176.600 -0.035 0.000 1.000 20 K CA -0.728 55.551 56.287 -0.014 0.000 0.929 20 K CB 0.917 33.391 32.500 -0.042 0.000 1.021 20 K HN -0.126 nan 8.250 nan 0.000 0.463 21 K N 1.813 122.164 120.400 -0.081 0.000 2.448 21 K HA -0.012 4.304 4.320 -0.005 0.000 0.278 21 K C 1.362 177.893 176.600 -0.115 0.000 1.009 21 K CA -0.340 55.880 56.287 -0.112 0.000 0.995 21 K CB 0.328 32.623 32.500 -0.341 0.000 0.917 21 K HN 0.446 nan 8.250 nan 0.000 0.481 22 I N 5.330 125.823 120.570 -0.129 0.000 2.113 22 I HA -0.255 3.911 4.170 -0.005 0.000 0.242 22 I C -0.641 175.165 176.117 -0.518 0.000 1.057 22 I CA 1.761 62.761 61.300 -0.500 0.000 1.314 22 I CB -1.953 35.404 38.000 -1.072 0.000 1.022 22 I HN 0.646 nan 8.210 nan 0.000 0.408 23 P HA -0.167 nan 4.420 nan 0.000 0.225 23 P C 0.946 178.129 177.300 -0.194 0.000 1.148 23 P CA 1.382 64.246 63.100 -0.392 0.000 0.779 23 P CB -0.288 31.281 31.700 -0.219 0.000 0.780 24 E N -0.490 119.617 120.200 -0.155 0.000 2.444 24 E HA 0.125 4.472 4.350 -0.005 0.000 0.191 24 E C 0.853 177.398 176.600 -0.092 0.000 1.041 24 E CA -0.055 56.285 56.400 -0.101 0.000 0.883 24 E CB -0.017 29.633 29.700 -0.085 0.000 1.024 24 E HN 0.045 nan 8.360 nan 0.000 0.470 25 V N -0.795 119.048 119.914 -0.118 0.000 3.350 25 V HA 0.168 4.285 4.120 -0.005 0.000 0.246 25 V C 0.690 176.752 176.094 -0.054 0.000 1.363 25 V CA 0.828 63.084 62.300 -0.073 0.000 1.162 25 V CB 1.286 33.060 31.823 -0.080 0.000 0.947 25 V HN 0.394 nan 8.190 nan 0.000 0.454 26 T N 0.242 114.730 114.554 -0.109 0.000 2.663 26 T HA 0.339 4.686 4.350 -0.005 0.000 0.302 26 T C -1.926 172.683 174.700 -0.153 0.000 1.523 26 T CA 0.028 62.088 62.100 -0.067 0.000 1.011 26 T CB 1.289 70.175 68.868 0.031 0.000 1.841 26 T HN 0.474 nan 8.240 nan 0.000 0.462 27 N N -0.611 118.037 118.700 -0.087 0.000 2.404 27 N HA 0.412 5.149 4.740 -0.005 0.000 0.297 27 N C 0.576 176.062 175.510 -0.041 0.000 1.163 27 N CA -0.832 52.152 53.050 -0.110 0.000 0.864 27 N CB 0.615 39.109 38.487 0.013 0.000 1.247 27 N HN 0.795 nan 8.380 nan 0.000 0.510 28 W N -0.190 121.172 121.300 0.104 0.000 2.325 28 W HA -0.119 4.538 4.660 -0.006 0.000 0.299 28 W C 1.527 178.143 176.519 0.160 0.000 1.215 28 W CA 0.810 58.241 57.345 0.143 0.000 1.244 28 W CB -0.064 29.447 29.460 0.085 0.000 1.140 28 W HN 0.623 nan 8.180 nan 0.000 0.523 29 E N -0.603 119.786 120.200 0.315 0.000 2.072 29 E HA -0.139 4.208 4.350 -0.005 0.000 0.191 29 E C 2.067 178.766 176.600 0.165 0.000 0.985 29 E CA 2.038 58.557 56.400 0.199 0.000 0.801 29 E CB -1.006 28.778 29.700 0.140 0.000 0.750 29 E HN 0.100 nan 8.360 nan 0.000 0.452 30 T N 0.856 115.511 114.554 0.169 0.000 2.777 30 T HA -0.110 4.237 4.350 -0.005 0.000 0.266 30 T C 1.510 176.340 174.700 0.216 0.000 1.040 30 T CA 0.944 63.138 62.100 0.156 0.000 1.141 30 T CB -0.424 68.528 68.868 0.140 0.000 0.868 30 T HN 0.132 nan 8.240 nan 0.000 0.444 31 F N 2.336 122.344 119.950 0.096 0.000 2.095 31 F HA -0.109 4.415 4.527 -0.005 0.000 0.298 31 F C 2.140 178.009 175.800 0.116 0.000 1.104 31 F CA 1.337 59.402 58.000 0.107 0.000 1.232 31 F CB -0.505 38.525 39.000 0.050 0.000 0.987 31 F HN 0.186 nan 8.300 nan 0.000 0.475 32 E N -0.175 120.005 120.200 -0.034 0.000 2.110 32 E HA -0.217 4.130 4.350 -0.005 0.000 0.193 32 E C 1.978 178.522 176.600 -0.094 0.000 0.988 32 E CA 1.220 57.527 56.400 -0.154 0.000 0.804 32 E CB -0.246 29.447 29.700 -0.012 0.000 0.745 32 E HN 0.427 nan 8.360 nan 0.000 0.458 33 N N 0.954 119.655 118.700 0.002 0.000 2.188 33 N HA -0.127 4.610 4.740 -0.005 0.000 0.184 33 N C 1.221 176.768 175.510 0.061 0.000 1.018 33 N CA 0.984 54.054 53.050 0.033 0.000 0.858 33 N CB -0.131 38.383 38.487 0.046 0.000 0.989 33 N HN 0.149 nan 8.380 nan 0.000 0.426 34 D N 1.047 121.485 120.400 0.062 0.000 2.144 34 D HA -0.051 4.586 4.640 -0.005 0.000 0.199 34 D C 2.168 178.484 176.300 0.028 0.000 0.984 34 D CA 0.405 54.468 54.000 0.106 0.000 0.834 34 D CB -0.221 40.691 40.800 0.186 0.000 0.955 34 D HN 0.229 nan 8.370 nan 0.000 0.465 35 L N 0.307 121.449 121.223 -0.135 0.000 2.083 35 L HA -0.112 4.224 4.340 -0.005 0.000 0.209 35 L C 2.525 179.359 176.870 -0.059 0.000 1.083 35 L CA 1.035 55.765 54.840 -0.183 0.000 0.752 35 L CB -0.190 41.642 42.059 -0.379 0.000 0.899 35 L HN -0.043 nan 8.230 nan 0.000 0.433 36 R N -0.978 119.519 120.500 -0.004 0.000 2.092 36 R HA -0.195 4.142 4.340 -0.005 0.000 0.231 36 R C 2.159 178.555 176.300 0.159 0.000 1.119 36 R CA 1.587 57.721 56.100 0.057 0.000 0.970 36 R CB -0.408 29.929 30.300 0.061 0.000 0.864 36 R HN 0.548 nan 8.270 nan 0.000 0.440 37 W N 1.395 122.677 121.300 -0.030 0.000 2.379 37 W HA -0.178 4.480 4.660 -0.003 0.000 0.307 37 W C 1.955 178.491 176.519 0.028 0.000 1.200 37 W CA 1.160 58.501 57.345 -0.007 0.000 1.297 37 W CB -0.111 29.333 29.460 -0.028 0.000 1.140 37 W HN 0.135 nan 8.180 nan 0.000 0.507 38 A N 0.999 123.771 122.820 -0.081 0.000 1.908 38 A HA -0.294 4.023 4.320 -0.005 0.000 0.218 38 A C 1.997 179.625 177.584 0.074 0.000 1.181 38 A CA 2.203 54.182 52.037 -0.097 0.000 0.627 38 A CB -1.090 17.794 19.000 -0.194 0.000 0.818 38 A HN 0.408 nan 8.150 nan 0.000 0.445 39 K N -0.535 119.884 120.400 0.032 0.000 2.147 39 K HA -0.193 4.123 4.320 -0.005 0.000 0.205 39 K C 2.133 178.734 176.600 0.001 0.000 1.049 39 K CA 1.617 57.930 56.287 0.044 0.000 0.936 39 K CB -0.179 32.331 32.500 0.018 0.000 0.722 39 K HN 0.649 nan 8.250 nan 0.000 0.446 40 Q N -0.083 119.691 119.800 -0.043 0.000 2.224 40 Q HA -0.036 4.300 4.340 -0.005 0.000 0.203 40 Q C 0.837 176.733 176.000 -0.174 0.000 0.970 40 Q CA 0.836 56.596 55.803 -0.070 0.000 0.865 40 Q CB 0.148 28.885 28.738 -0.002 0.000 0.922 40 Q HN 0.340 nan 8.270 nan 0.000 0.445 41 N N -0.737 117.799 118.700 -0.274 0.000 2.313 41 N HA 0.059 4.796 4.740 -0.005 0.000 0.207 41 N C 0.446 175.825 175.510 -0.218 0.000 1.141 41 N CA 0.792 53.673 53.050 -0.280 0.000 0.830 41 N CB 1.346 39.596 38.487 -0.395 0.000 1.008 41 N HN 0.359 nan 8.380 nan 0.000 0.481 42 G N 0.613 109.325 108.800 -0.147 0.000 2.175 42 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.244 42 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.244 42 G C -0.152 174.673 174.900 -0.125 0.000 0.982 42 G CA -0.494 44.523 45.100 -0.137 0.000 0.641 42 G HN 0.235 nan 8.290 nan 0.000 0.527 43 F N 0.328 120.299 119.950 0.036 0.000 2.467 43 F HA 0.556 5.080 4.527 -0.005 0.000 0.362 43 F C 1.335 177.175 175.800 0.067 0.000 1.090 43 F CA -0.419 57.600 58.000 0.032 0.000 1.202 43 F CB 0.753 39.719 39.000 -0.057 0.000 1.113 43 F HN 0.097 nan 8.300 nan 0.000 0.541 44 Y N 2.864 123.254 120.300 0.150 0.000 2.262 44 Y HA 0.466 5.015 4.550 -0.002 0.000 0.295 44 Y C 0.735 176.754 175.900 0.199 0.000 1.121 44 Y CA 0.806 58.979 58.100 0.121 0.000 1.144 44 Y CB 0.103 38.593 38.460 0.050 0.000 1.043 44 Y HN 0.496 nan 8.280 nan 0.000 0.528 45 A N -0.076 122.951 122.820 0.345 0.000 2.569 45 A HA 0.576 4.892 4.320 -0.005 0.000 0.290 45 A C -1.857 175.861 177.584 0.222 0.000 1.136 45 A CA -0.687 51.465 52.037 0.192 0.000 0.710 45 A CB 0.864 19.994 19.000 0.217 0.000 1.303 45 A HN 0.220 nan 8.150 nan 0.000 0.413 46 I N 1.577 122.224 120.570 0.127 0.000 2.389 46 I HA 0.499 4.666 4.170 -0.005 0.000 0.288 46 I C 0.340 176.516 176.117 0.098 0.000 0.999 46 I CA -0.189 61.187 61.300 0.128 0.000 1.129 46 I CB 1.676 39.787 38.000 0.185 0.000 1.288 46 I HN 0.826 nan 8.210 nan 0.000 0.444 47 T N 4.493 119.066 114.554 0.032 0.000 2.897 47 T HA 0.562 4.908 4.350 -0.005 0.000 0.294 47 T C -0.529 174.082 174.700 -0.149 0.000 1.004 47 T CA -0.547 61.515 62.100 -0.064 0.000 1.106 47 T CB 1.657 70.485 68.868 -0.066 0.000 0.949 47 T HN 0.448 nan 8.240 nan 0.000 0.520 48 V N 1.921 121.623 119.914 -0.353 0.000 2.932 48 V HA 0.374 4.491 4.120 -0.005 0.000 0.307 48 V C -1.468 174.092 176.094 -0.889 0.000 1.147 48 V CA -0.964 60.968 62.300 -0.614 0.000 0.951 48 V CB 2.250 33.509 31.823 -0.941 0.000 1.031 48 V HN 1.092 nan 8.190 nan 0.000 0.426 49 D N 5.245 125.157 120.400 -0.814 0.000 2.264 49 D HA 0.340 4.977 4.640 -0.005 0.000 0.250 49 D C -1.035 174.609 176.300 -1.094 0.000 1.113 49 D CA 0.416 53.809 54.000 -1.011 0.000 0.871 49 D CB 1.308 41.369 40.800 -1.233 0.000 1.167 49 D HN 0.449 nan 8.370 nan 0.000 0.447 50 F N 1.794 121.324 119.950 -0.699 0.000 2.430 50 F HA 0.244 4.767 4.527 -0.006 0.000 0.362 50 F C -0.183 175.364 175.800 -0.422 0.000 1.103 50 F CA -1.274 56.490 58.000 -0.394 0.000 1.045 50 F CB 0.843 39.749 39.000 -0.157 0.000 1.276 50 F HN 0.226 nan 8.300 nan 0.000 0.444 51 W N 3.599 124.993 121.300 0.157 0.000 2.253 51 W HA 0.032 4.689 4.660 -0.004 0.000 0.322 51 W C 0.891 177.523 176.519 0.188 0.000 1.342 51 W CA -0.577 56.813 57.345 0.076 0.000 1.218 51 W CB 0.431 29.893 29.460 0.005 0.000 1.205 51 W HN 0.637 nan 8.180 nan 0.000 0.551 52 W N 2.778 124.186 121.300 0.180 0.000 2.374 52 W HA -0.114 4.543 4.660 -0.005 0.000 0.288 52 W C 1.867 178.459 176.519 0.121 0.000 1.218 52 W CA 1.896 59.310 57.345 0.115 0.000 1.245 52 W CB -0.948 28.528 29.460 0.026 0.000 1.126 52 W HN 0.489 nan 8.180 nan 0.000 0.545 53 G N -0.158 108.773 108.800 0.219 0.000 2.479 53 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.220 53 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.220 53 G C 1.204 176.151 174.900 0.079 0.000 1.115 53 G CA 1.354 46.467 45.100 0.021 0.000 0.757 53 G HN 0.226 nan 8.290 nan 0.000 0.560 54 D N 0.096 120.607 120.400 0.185 0.000 2.269 54 D HA 0.063 4.699 4.640 -0.005 0.000 0.220 54 D C 2.657 179.036 176.300 0.131 0.000 0.962 54 D CA 0.396 54.483 54.000 0.146 0.000 0.884 54 D CB -0.194 40.716 40.800 0.185 0.000 1.023 54 D HN 0.280 nan 8.370 nan 0.000 0.484 55 M N -0.072 119.641 119.600 0.188 0.000 2.476 55 M HA -0.006 4.471 4.480 -0.005 0.000 0.262 55 M C 0.788 177.174 176.300 0.142 0.000 1.079 55 M CA 1.020 56.369 55.300 0.082 0.000 1.104 55 M CB 0.281 32.968 32.600 0.146 0.000 1.409 55 M HN -0.125 nan 8.290 nan 0.000 0.467 56 E N 0.224 120.578 120.200 0.256 0.000 3.956 56 E HA 0.055 4.402 4.350 -0.005 0.000 0.177 56 E C 0.742 177.511 176.600 0.281 0.000 1.028 56 E CA -0.066 56.483 56.400 0.248 0.000 1.463 56 E CB 0.548 30.555 29.700 0.512 0.000 1.145 56 E HN 0.194 nan 8.360 nan 0.000 0.423 57 K N 0.400 120.893 120.400 0.156 0.000 2.002 57 K HA -0.080 4.237 4.320 -0.005 0.000 0.209 57 K C 1.378 178.102 176.600 0.207 0.000 1.048 57 K CA 1.366 57.738 56.287 0.142 0.000 0.930 57 K CB 0.126 32.661 32.500 0.059 0.000 0.714 57 K HN 0.188 nan 8.250 nan 0.000 0.438 58 N N 0.015 118.754 118.700 0.065 0.000 2.381 58 N HA -0.040 4.697 4.740 -0.005 0.000 0.182 58 N C 0.720 176.115 175.510 -0.192 0.000 1.025 58 N CA 1.236 54.274 53.050 -0.020 0.000 0.888 58 N CB 0.567 39.018 38.487 -0.060 0.000 0.965 58 N HN 0.376 nan 8.380 nan 0.000 0.438 59 G N -0.048 108.448 108.800 -0.506 0.000 2.316 59 G HA2 -0.031 3.925 3.960 -0.005 0.000 0.296 59 G HA3 -0.031 3.925 3.960 -0.005 0.000 0.296 59 G C -1.961 172.037 174.900 -1.503 0.000 1.399 59 G CA -0.780 43.594 45.100 -1.210 0.000 0.833 59 G HN -0.043 nan 8.290 nan 0.000 0.565 60 D N 0.725 120.091 120.400 -1.723 0.000 2.487 60 D HA 0.333 4.969 4.640 -0.005 0.000 0.243 60 D C 1.006 176.898 176.300 -0.680 0.000 1.154 60 D CA 1.025 54.288 54.000 -1.229 0.000 0.876 60 D CB 0.485 40.823 40.800 -0.772 0.000 1.161 60 D HN 0.471 nan 8.370 nan 0.000 0.478 61 Q N 1.542 120.937 119.800 -0.674 0.000 2.460 61 Q HA -0.255 4.082 4.340 -0.005 0.000 0.248 61 Q C -0.541 175.006 176.000 -0.754 0.000 0.847 61 Q CA 0.868 56.201 55.803 -0.783 0.000 1.214 61 Q CB -1.901 26.672 28.738 -0.276 0.000 1.523 61 Q HN 0.764 nan 8.270 nan 0.000 0.602 62 Q N 0.210 119.604 119.800 -0.677 0.000 2.901 62 Q HA 0.400 4.737 4.340 -0.005 0.000 0.265 62 Q C -0.238 175.573 176.000 -0.315 0.000 1.263 62 Q CA -0.204 55.374 55.803 -0.376 0.000 1.088 62 Q CB 0.001 28.566 28.738 -0.288 0.000 1.339 62 Q HN 0.161 nan 8.270 nan 0.000 0.546 63 F N 0.828 120.747 119.950 -0.052 0.000 2.444 63 F HA 0.162 4.686 4.527 -0.005 0.000 0.331 63 F C 0.890 176.527 175.800 -0.271 0.000 1.167 63 F CA -0.152 57.721 58.000 -0.211 0.000 1.262 63 F CB 0.712 39.608 39.000 -0.175 0.000 1.196 63 F HN 0.208 nan 8.300 nan 0.000 0.583 64 D N 1.657 121.882 120.400 -0.292 0.000 2.365 64 D HA 0.185 4.822 4.640 -0.005 0.000 0.235 64 D C -0.859 175.262 176.300 -0.299 0.000 1.368 64 D CA -0.313 53.584 54.000 -0.172 0.000 1.001 64 D CB 0.323 41.099 40.800 -0.039 0.000 1.364 64 D HN 0.361 nan 8.370 nan 0.000 0.577 65 F N 1.358 121.384 119.950 0.126 0.000 2.668 65 F HA 0.070 4.594 4.527 -0.005 0.000 0.301 65 F C 2.343 178.141 175.800 -0.004 0.000 1.106 65 F CA -0.256 57.769 58.000 0.041 0.000 1.289 65 F CB 0.592 39.573 39.000 -0.032 0.000 1.006 65 F HN 0.245 nan 8.300 nan 0.000 0.535 66 S N -0.281 115.522 115.700 0.171 0.000 2.368 66 S HA -0.318 4.149 4.470 -0.005 0.000 0.225 66 S C 1.960 176.621 174.600 0.102 0.000 1.030 66 S CA 1.294 59.566 58.200 0.120 0.000 0.999 66 S CB -0.946 62.326 63.200 0.119 0.000 0.844 66 S HN 0.542 nan 8.310 nan 0.000 0.459 67 Y N 2.711 123.054 120.300 0.072 0.000 2.200 67 Y HA 0.130 4.677 4.550 -0.005 0.000 0.290 67 Y C 2.624 178.568 175.900 0.074 0.000 1.137 67 Y CA 0.764 58.943 58.100 0.131 0.000 1.163 67 Y CB -0.936 37.639 38.460 0.190 0.000 0.988 67 Y HN 0.322 nan 8.280 nan 0.000 0.518 68 A N 0.223 122.954 122.820 -0.148 0.000 1.902 68 A HA -0.241 4.075 4.320 -0.005 0.000 0.217 68 A C 2.101 179.440 177.584 -0.408 0.000 1.181 68 A CA 1.982 53.671 52.037 -0.581 0.000 0.623 68 A CB -0.694 17.830 19.000 -0.793 0.000 0.818 68 A HN 0.670 nan 8.150 nan 0.000 0.443 69 Q N -1.367 118.242 119.800 -0.319 0.000 2.046 69 Q HA -0.168 4.169 4.340 -0.005 0.000 0.200 69 Q C 2.374 178.065 176.000 -0.514 0.000 0.975 69 Q CA 1.495 57.036 55.803 -0.437 0.000 0.836 69 Q CB -0.175 28.485 28.738 -0.129 0.000 0.896 69 Q HN 0.522 nan 8.270 nan 0.000 0.428 70 R N 0.622 120.891 120.500 -0.385 0.000 2.096 70 R HA -0.148 4.188 4.340 -0.005 0.000 0.235 70 R C 1.740 177.574 176.300 -0.777 0.000 1.127 70 R CA 1.344 57.110 56.100 -0.557 0.000 0.968 70 R CB -0.687 29.315 30.300 -0.497 0.000 0.861 70 R HN 0.283 nan 8.270 nan 0.000 0.440 71 F N 0.278 119.806 119.950 -0.703 0.000 2.102 71 F HA -0.061 4.462 4.527 -0.006 0.000 0.298 71 F C 2.012 177.682 175.800 -0.217 0.000 1.105 71 F CA 1.670 59.446 58.000 -0.373 0.000 1.239 71 F CB -0.506 38.406 39.000 -0.148 0.000 0.991 71 F HN 0.129 nan 8.300 nan 0.000 0.474 72 A N -0.316 122.444 122.820 -0.099 0.000 1.972 72 A HA -0.260 4.057 4.320 -0.005 0.000 0.219 72 A C 2.031 179.422 177.584 -0.322 0.000 1.169 72 A CA 1.798 53.694 52.037 -0.234 0.000 0.635 72 A CB -0.908 17.731 19.000 -0.602 0.000 0.810 72 A HN 0.548 nan 8.150 nan 0.000 0.446 73 Q N 0.196 119.738 119.800 -0.431 0.000 2.020 73 Q HA -0.104 4.233 4.340 -0.005 0.000 0.202 73 Q C 2.250 178.142 176.000 -0.181 0.000 0.982 73 Q CA 2.336 58.002 55.803 -0.228 0.000 0.838 73 Q CB -0.523 28.071 28.738 -0.239 0.000 0.899 73 Q HN 0.526 nan 8.270 nan 0.000 0.423 74 S N -0.806 114.740 115.700 -0.257 0.000 2.382 74 S HA -0.118 4.349 4.470 -0.005 0.000 0.228 74 S C 1.897 176.419 174.600 -0.131 0.000 1.027 74 S CA 1.153 59.282 58.200 -0.118 0.000 0.991 74 S CB -0.344 62.916 63.200 0.101 0.000 0.823 74 S HN 0.269 nan 8.310 nan 0.000 0.469 75 V N 2.063 121.875 119.914 -0.171 0.000 2.295 75 V HA -0.212 3.905 4.120 -0.005 0.000 0.246 75 V C 2.415 178.450 176.094 -0.098 0.000 1.049 75 V CA 1.899 64.102 62.300 -0.161 0.000 1.024 75 V CB -0.554 31.219 31.823 -0.084 0.000 0.648 75 V HN 0.462 nan 8.190 nan 0.000 0.447 76 K N 0.313 120.679 120.400 -0.057 0.000 2.026 76 K HA -0.232 4.085 4.320 -0.005 0.000 0.208 76 K C 1.986 178.569 176.600 -0.029 0.000 1.048 76 K CA 1.955 58.234 56.287 -0.014 0.000 0.929 76 K CB -0.223 32.303 32.500 0.045 0.000 0.713 76 K HN 0.432 nan 8.250 nan 0.000 0.439 77 N N 0.647 119.322 118.700 -0.041 0.000 2.289 77 N HA -0.135 4.602 4.740 -0.005 0.000 0.184 77 N C 1.318 176.803 175.510 -0.042 0.000 1.016 77 N CA 1.311 54.341 53.050 -0.033 0.000 0.872 77 N CB -0.248 38.221 38.487 -0.031 0.000 0.973 77 N HN 0.315 nan 8.380 nan 0.000 0.433 78 A N -0.258 122.518 122.820 -0.074 0.000 2.251 78 A HA 0.414 4.730 4.320 -0.005 0.000 0.209 78 A C 1.418 178.964 177.584 -0.064 0.000 1.187 78 A CA 0.636 52.623 52.037 -0.084 0.000 0.823 78 A CB -0.418 18.485 19.000 -0.161 0.000 0.846 78 A HN 0.281 nan 8.150 nan 0.000 0.486 79 G N -1.272 107.496 108.800 -0.054 0.000 2.176 79 G HA2 -0.230 3.726 3.960 -0.005 0.000 0.252 79 G HA3 -0.230 3.726 3.960 -0.005 0.000 0.252 79 G C 0.120 174.979 174.900 -0.068 0.000 1.024 79 G CA 0.757 45.830 45.100 -0.044 0.000 0.755 79 G HN 0.311 nan 8.290 nan 0.000 0.507 80 M N -1.156 118.390 119.600 -0.090 0.000 2.849 80 M HA 0.565 5.042 4.480 -0.005 0.000 0.299 80 M C 0.407 176.629 176.300 -0.129 0.000 1.223 80 M CA -0.518 54.708 55.300 -0.123 0.000 0.856 80 M CB 1.536 34.064 32.600 -0.120 0.000 1.680 80 M HN -0.037 nan 8.290 nan 0.000 0.506 81 K N 1.600 121.890 120.400 -0.183 0.000 2.281 81 K HA 0.746 5.063 4.320 -0.005 0.000 0.242 81 K C -0.773 175.804 176.600 -0.038 0.000 0.971 81 K CA -0.519 55.677 56.287 -0.152 0.000 0.834 81 K CB 2.482 34.774 32.500 -0.347 0.000 1.181 81 K HN 0.788 nan 8.250 nan 0.000 0.435 82 M N -0.321 119.290 119.600 0.018 0.000 2.593 82 M HA 0.591 5.068 4.480 -0.005 0.000 0.290 82 M C -1.184 175.117 176.300 0.001 0.000 1.244 82 M CA -0.832 54.514 55.300 0.077 0.000 0.857 82 M CB 1.871 34.605 32.600 0.222 0.000 1.738 82 M HN 0.403 nan 8.290 nan 0.000 0.461 83 I N 3.248 123.795 120.570 -0.038 0.000 2.521 83 I HA 0.394 4.560 4.170 -0.005 0.000 0.277 83 I C -2.382 173.654 176.117 -0.136 0.000 1.054 83 I CA -1.759 59.467 61.300 -0.124 0.000 1.117 83 I CB 1.851 39.740 38.000 -0.186 0.000 1.217 83 I HN 0.479 nan 8.210 nan 0.000 0.469 84 P HA 0.258 nan 4.420 nan 0.000 0.275 84 P C -0.613 176.537 177.300 -0.249 0.000 1.228 84 P CA 0.029 63.010 63.100 -0.197 0.000 0.786 84 P CB 1.533 33.364 31.700 0.218 0.000 0.927 85 I N 3.719 124.066 120.570 -0.372 0.000 2.382 85 I HA 0.308 4.475 4.170 -0.005 0.000 0.286 85 I C 0.739 176.640 176.117 -0.361 0.000 1.002 85 I CA -0.933 60.192 61.300 -0.292 0.000 1.135 85 I CB 1.320 39.128 38.000 -0.321 0.000 1.288 85 I HN 0.141 nan 8.210 nan 0.000 0.448 86 I N 5.629 126.000 120.570 -0.333 0.000 2.357 86 I HA 0.042 4.209 4.170 -0.005 0.000 0.300 86 I C 0.367 176.350 176.117 -0.223 0.000 1.159 86 I CA 0.254 61.353 61.300 -0.335 0.000 1.339 86 I CB -0.084 37.717 38.000 -0.333 0.000 1.458 86 I HN 0.533 nan 8.210 nan 0.000 0.577 87 S N 3.717 119.242 115.700 -0.291 0.000 2.701 87 S HA 0.054 4.521 4.470 -0.005 0.000 0.317 87 S C 1.280 175.840 174.600 -0.066 0.000 1.149 87 S CA -0.481 57.535 58.200 -0.305 0.000 1.052 87 S CB -0.132 62.518 63.200 -0.917 0.000 1.257 87 S HN 0.721 nan 8.310 nan 0.000 0.532 88 T N -0.065 114.506 114.554 0.029 0.000 3.278 88 T HA 0.094 4.441 4.350 -0.005 0.000 0.251 88 T C 0.417 175.382 174.700 0.441 0.000 1.039 88 T CA -0.425 61.778 62.100 0.172 0.000 0.935 88 T CB -0.528 68.100 68.868 -0.401 0.000 1.034 88 T HN 0.757 nan 8.240 nan 0.000 0.575 89 H N -1.059 118.240 119.070 0.382 0.000 2.771 89 H HA 0.502 5.055 4.556 -0.006 0.000 0.367 89 H C -0.808 174.738 175.328 0.364 0.000 1.172 89 H CA -1.084 55.175 56.048 0.352 0.000 1.186 89 H CB 1.359 31.291 29.762 0.283 0.000 1.790 89 H HN 0.188 nan 8.280 nan 0.000 0.556 90 Q N 0.917 120.903 119.800 0.310 0.000 2.332 90 Q HA 0.233 4.570 4.340 -0.005 0.000 0.263 90 Q C -0.940 175.040 176.000 -0.032 0.000 0.979 90 Q CA -0.447 55.406 55.803 0.083 0.000 0.885 90 Q CB 0.729 29.515 28.738 0.079 0.000 1.218 90 Q HN 0.575 nan 8.270 nan 0.000 0.405 91 c N 4.078 122.383 118.600 -0.491 0.000 2.285 91 c HA 0.866 5.433 4.570 -0.005 0.000 0.335 91 c C 0.092 173.968 174.090 -0.357 0.000 1.267 91 c CA 1.020 56.922 56.329 -0.712 0.000 1.762 91 c CB -0.788 40.718 42.510 -1.672 0.000 2.365 91 c HN 0.983 nan 8.230 nan 0.000 0.527 92 G N 3.872 112.566 108.800 -0.176 0.000 2.697 92 G HA2 0.479 4.436 3.960 -0.005 0.000 0.684 92 G HA3 0.479 4.436 3.960 -0.005 0.000 0.684 92 G C 0.355 175.223 174.900 -0.055 0.000 1.274 92 G CA 0.287 45.318 45.100 -0.115 0.000 0.806 92 G HN 2.316 nan 8.290 nan 0.000 0.644 93 G N 1.524 110.302 108.800 -0.036 0.000 2.659 93 G HA2 -0.228 3.728 3.960 -0.005 0.000 0.212 93 G HA3 -0.228 3.728 3.960 -0.005 0.000 0.212 93 G C 0.534 175.434 174.900 -0.000 0.000 1.226 93 G CA 0.678 45.767 45.100 -0.018 0.000 0.739 93 G HN 1.538 nan 8.290 nan 0.000 0.528 94 N N 1.399 120.106 118.700 0.013 0.000 2.371 94 N HA 0.367 5.103 4.740 -0.005 0.000 0.243 94 N C 0.909 176.439 175.510 0.033 0.000 1.287 94 N CA 0.541 53.611 53.050 0.033 0.000 0.911 94 N CB 0.924 39.442 38.487 0.050 0.000 1.142 94 N HN 1.141 nan 8.380 nan 0.000 0.451 95 V N -2.015 117.926 119.914 0.046 0.000 2.599 95 V HA 0.365 4.481 4.120 -0.005 0.000 0.300 95 V C 1.419 177.529 176.094 0.026 0.000 1.034 95 V CA 0.138 62.454 62.300 0.027 0.000 1.115 95 V CB -0.024 31.810 31.823 0.017 0.000 0.934 95 V HN 0.966 nan 8.190 nan 0.000 0.485 96 G N 3.079 111.888 108.800 0.015 0.000 2.184 96 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.264 96 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.264 96 G C -0.168 174.745 174.900 0.022 0.000 0.975 96 G CA 0.262 45.373 45.100 0.019 0.000 0.642 96 G HN 0.941 nan 8.290 nan 0.000 0.536 97 D N 1.165 121.574 120.400 0.016 0.000 2.342 97 D HA 0.421 5.057 4.640 -0.005 0.000 0.260 97 D C 0.021 176.307 176.300 -0.024 0.000 1.278 97 D CA 0.161 54.161 54.000 0.001 0.000 0.910 97 D CB 1.064 41.856 40.800 -0.013 0.000 1.079 97 D HN 0.205 nan 8.370 nan 0.000 0.496 98 D N 2.440 122.828 120.400 -0.020 0.000 2.772 98 D HA 0.220 4.856 4.640 -0.005 0.000 0.273 98 D C -0.966 175.297 176.300 -0.062 0.000 1.233 98 D CA -0.508 53.474 54.000 -0.031 0.000 0.984 98 D CB -0.445 40.350 40.800 -0.009 0.000 1.000 98 D HN 0.400 nan 8.370 nan 0.000 0.514 99 c N 0.544 119.081 118.600 -0.105 0.000 3.275 99 c HA 0.703 5.270 4.570 -0.005 0.000 0.340 99 c C -0.997 172.972 174.090 -0.202 0.000 1.366 99 c CA -1.204 55.022 56.329 -0.173 0.000 1.227 99 c CB 1.154 43.509 42.510 -0.257 0.000 1.512 99 c HN 0.353 nan 8.230 nan 0.000 0.461 100 N N 0.076 118.634 118.700 -0.237 0.000 2.685 100 N HA 0.568 5.305 4.740 -0.005 0.000 0.252 100 N C -1.541 173.815 175.510 -0.257 0.000 1.261 100 N CA -0.204 52.720 53.050 -0.211 0.000 0.768 100 N CB 1.243 39.647 38.487 -0.139 0.000 1.304 100 N HN 0.814 nan 8.380 nan 0.000 0.536 101 V N 4.283 123.978 119.914 -0.365 0.000 2.454 101 V HA 0.473 4.590 4.120 -0.005 0.000 0.267 101 V C -2.132 173.800 176.094 -0.270 0.000 0.993 101 V CA -1.151 60.930 62.300 -0.365 0.000 0.836 101 V CB 1.146 32.593 31.823 -0.626 0.000 1.055 101 V HN 0.437 nan 8.190 nan 0.000 0.452 102 P HA 0.384 nan 4.420 nan 0.000 0.276 102 P C 0.229 177.475 177.300 -0.091 0.000 1.252 102 P CA -0.348 62.705 63.100 -0.079 0.000 0.802 102 P CB 1.560 33.231 31.700 -0.048 0.000 1.035 103 I N -2.334 118.194 120.570 -0.071 0.000 2.938 103 I HA 0.263 4.430 4.170 -0.005 0.000 0.285 103 I C -2.309 173.513 176.117 -0.492 0.000 1.182 103 I CA -2.477 58.638 61.300 -0.308 0.000 1.388 103 I CB -1.049 36.744 38.000 -0.346 0.000 1.390 103 I HN 0.098 nan 8.210 nan 0.000 0.600 104 P HA -0.061 nan 4.420 nan 0.000 0.258 104 P C 0.684 177.492 177.300 -0.821 0.000 1.172 104 P CA 0.400 62.983 63.100 -0.861 0.000 0.762 104 P CB 0.602 31.488 31.700 -1.357 0.000 0.764 105 S N 4.109 119.607 115.700 -0.337 0.000 2.419 105 S HA -0.168 4.298 4.470 -0.005 0.000 0.233 105 S C 1.659 176.212 174.600 -0.079 0.000 1.016 105 S CA 0.555 58.722 58.200 -0.055 0.000 0.974 105 S CB -1.097 62.134 63.200 0.051 0.000 0.786 105 S HN 0.686 nan 8.310 nan 0.000 0.492 106 W N 1.776 123.017 121.300 -0.099 0.000 2.421 106 W HA 0.034 4.690 4.660 -0.006 0.000 0.270 106 W C 1.254 177.686 176.519 -0.145 0.000 1.233 106 W CA 0.598 57.888 57.345 -0.092 0.000 1.226 106 W CB -1.007 28.392 29.460 -0.103 0.000 1.121 106 W HN 0.168 nan 8.180 nan 0.000 0.579 107 V N 0.740 120.114 119.914 -0.901 0.000 2.490 107 V HA -0.294 3.823 4.120 -0.005 0.000 0.250 107 V C 2.060 177.830 176.094 -0.541 0.000 1.061 107 V CA 2.205 63.962 62.300 -0.905 0.000 1.064 107 V CB -1.161 29.814 31.823 -1.412 0.000 0.670 107 V HN 0.196 nan 8.190 nan 0.000 0.461 108 W N 0.808 122.013 121.300 -0.159 0.000 2.425 108 W HA -0.065 4.592 4.660 -0.005 0.000 0.277 108 W C 2.130 178.649 176.519 -0.001 0.000 1.231 108 W CA 0.933 58.242 57.345 -0.060 0.000 1.248 108 W CB -0.762 28.654 29.460 -0.074 0.000 1.117 108 W HN 0.321 nan 8.180 nan 0.000 0.568 109 N N 0.320 119.132 118.700 0.186 0.000 2.571 109 N HA -0.131 4.605 4.740 -0.005 0.000 0.189 109 N C 1.364 176.944 175.510 0.118 0.000 1.154 109 N CA 0.352 53.492 53.050 0.151 0.000 0.907 109 N CB -0.237 38.335 38.487 0.141 0.000 0.977 109 N HN 0.151 nan 8.380 nan 0.000 0.449 110 Q N 0.630 120.489 119.800 0.098 0.000 2.224 110 Q HA 0.089 4.426 4.340 -0.005 0.000 0.203 110 Q C -0.248 175.783 176.000 0.052 0.000 0.970 110 Q CA 1.116 56.964 55.803 0.074 0.000 0.865 110 Q CB 0.387 29.153 28.738 0.048 0.000 0.922 110 Q HN 0.082 nan 8.270 nan 0.000 0.445 111 K N -1.481 118.957 120.400 0.063 0.000 2.375 111 K HA 0.293 4.610 4.320 -0.005 0.000 0.249 111 K C 0.118 176.758 176.600 0.067 0.000 0.942 111 K CA -0.021 56.288 56.287 0.037 0.000 0.806 111 K CB 1.890 34.383 32.500 -0.012 0.000 1.227 111 K HN -0.021 nan 8.250 nan 0.000 0.430 112 S N -1.115 114.613 115.700 0.045 0.000 2.535 112 S HA -0.005 4.462 4.470 -0.005 0.000 0.214 112 S C 0.428 175.064 174.600 0.060 0.000 0.980 112 S CA -0.021 58.214 58.200 0.059 0.000 0.907 112 S CB -0.176 63.053 63.200 0.048 0.000 0.790 112 S HN 0.651 nan 8.310 nan 0.000 0.510 113 D N 1.873 122.290 120.400 0.028 0.000 2.567 113 D HA 0.286 4.922 4.640 -0.005 0.000 0.275 113 D C -0.452 175.841 176.300 -0.011 0.000 1.195 113 D CA -0.628 53.380 54.000 0.013 0.000 1.087 113 D CB 0.001 40.789 40.800 -0.020 0.000 1.165 113 D HN 0.128 nan 8.370 nan 0.000 0.609 114 D N -1.894 118.452 120.400 -0.090 0.000 2.722 114 D HA 0.066 4.703 4.640 -0.005 0.000 0.239 114 D C 0.821 176.827 176.300 -0.489 0.000 1.249 114 D CA -0.347 53.443 54.000 -0.351 0.000 0.830 114 D CB -0.250 40.357 40.800 -0.321 0.000 1.025 114 D HN 0.224 nan 8.370 nan 0.000 0.486 115 S N -0.361 115.059 115.700 -0.467 0.000 2.436 115 S HA -0.034 4.432 4.470 -0.005 0.000 0.228 115 S C 1.767 176.117 174.600 -0.417 0.000 1.014 115 S CA 0.059 57.824 58.200 -0.726 0.000 0.950 115 S CB -0.521 61.840 63.200 -1.398 0.000 0.784 115 S HN 0.334 nan 8.310 nan 0.000 0.504 116 L N 0.244 121.340 121.223 -0.212 0.000 2.395 116 L HA 0.207 4.544 4.340 -0.005 0.000 0.218 116 L C 0.998 177.993 176.870 0.207 0.000 1.130 116 L CA 0.237 55.099 54.840 0.036 0.000 0.826 116 L CB -0.439 41.773 42.059 0.254 0.000 0.941 116 L HN 0.545 nan 8.230 nan 0.000 0.451 117 Y N -3.099 117.234 120.300 0.054 0.000 2.753 117 Y HA 0.691 5.238 4.550 -0.006 0.000 0.324 117 Y C -0.556 175.243 175.900 -0.168 0.000 1.147 117 Y CA -2.145 55.941 58.100 -0.024 0.000 1.173 117 Y CB 0.404 38.864 38.460 0.000 0.000 1.361 117 Y HN -0.296 nan 8.280 nan 0.000 0.545 118 F N 0.498 120.669 119.950 0.370 0.000 2.470 118 F HA 0.656 5.180 4.527 -0.006 0.000 0.329 118 F C -0.118 175.880 175.800 0.329 0.000 1.072 118 F CA -1.005 57.168 58.000 0.289 0.000 0.989 118 F CB 1.966 41.127 39.000 0.268 0.000 1.193 118 F HN 0.424 nan 8.300 nan 0.000 0.481 119 K N 1.104 121.799 120.400 0.490 0.000 2.565 119 K HA 0.448 4.765 4.320 -0.005 0.000 0.249 119 K C -0.584 176.253 176.600 0.395 0.000 0.958 119 K CA -0.497 56.021 56.287 0.385 0.000 0.806 119 K CB 1.581 34.285 32.500 0.339 0.000 1.194 119 K HN 0.834 nan 8.250 nan 0.000 0.434 120 S N 2.275 118.127 115.700 0.253 0.000 2.640 120 S HA 0.107 4.574 4.470 -0.005 0.000 0.262 120 S C 0.931 175.443 174.600 -0.147 0.000 1.232 120 S CA -0.220 58.073 58.200 0.155 0.000 0.988 120 S CB 0.818 64.058 63.200 0.067 0.000 1.034 120 S HN 0.729 nan 8.310 nan 0.000 0.569 121 E N 0.373 120.313 120.200 -0.433 0.000 2.160 121 E HA -0.111 4.236 4.350 -0.005 0.000 0.195 121 E C 1.576 177.916 176.600 -0.432 0.000 0.991 121 E CA 1.609 57.481 56.400 -0.879 0.000 0.810 121 E CB -0.488 28.927 29.700 -0.475 0.000 0.742 121 E HN 0.905 nan 8.360 nan 0.000 0.466 122 T N -3.092 111.340 114.554 -0.204 0.000 3.163 122 T HA 0.361 4.708 4.350 -0.005 0.000 0.252 122 T C 1.328 175.997 174.700 -0.052 0.000 1.056 122 T CA 0.183 62.219 62.100 -0.106 0.000 0.947 122 T CB 0.735 69.566 68.868 -0.062 0.000 1.016 122 T HN 0.273 nan 8.240 nan 0.000 0.554 123 G N 1.262 110.040 108.800 -0.037 0.000 2.157 123 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.248 123 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.248 123 G C 0.149 175.088 174.900 0.066 0.000 0.979 123 G CA -0.001 45.122 45.100 0.039 0.000 0.650 123 G HN 0.676 nan 8.290 nan 0.000 0.529 124 T N 1.365 115.951 114.554 0.053 0.000 2.817 124 T HA 0.419 4.765 4.350 -0.005 0.000 0.295 124 T C 0.737 175.504 174.700 0.112 0.000 0.958 124 T CA -0.007 62.127 62.100 0.057 0.000 1.157 124 T CB 2.044 70.936 68.868 0.039 0.000 0.898 124 T HN 0.371 nan 8.240 nan 0.000 0.536 125 V N 5.045 125.013 119.914 0.090 0.000 2.583 125 V HA 0.297 4.413 4.120 -0.005 0.000 0.287 125 V C 0.533 176.682 176.094 0.092 0.000 1.051 125 V CA -0.638 61.737 62.300 0.126 0.000 1.010 125 V CB 1.257 33.064 31.823 -0.026 0.000 0.988 125 V HN 0.829 nan 8.190 nan 0.000 0.478 126 N N 3.828 122.658 118.700 0.217 0.000 2.346 126 N HA 0.404 5.141 4.740 -0.005 0.000 0.289 126 N C -0.752 174.923 175.510 0.275 0.000 1.027 126 N CA -0.567 52.597 53.050 0.190 0.000 0.864 126 N CB 1.893 40.486 38.487 0.178 0.000 1.370 126 N HN 0.623 nan 8.380 nan 0.000 0.481 127 K N 2.433 122.885 120.400 0.087 0.000 3.123 127 K HA 0.107 4.424 4.320 -0.005 0.000 0.209 127 K C 0.270 177.030 176.600 0.267 0.000 1.132 127 K CA -0.061 56.259 56.287 0.054 0.000 0.992 127 K CB 0.606 32.728 32.500 -0.630 0.000 0.773 127 K HN 0.627 nan 8.250 nan 0.000 0.458 128 E N 0.104 120.482 120.200 0.296 0.000 2.463 128 E HA 0.037 4.384 4.350 -0.005 0.000 0.193 128 E C 0.003 176.816 176.600 0.356 0.000 1.041 128 E CA 0.091 56.647 56.400 0.259 0.000 0.879 128 E CB 0.724 30.509 29.700 0.142 0.000 0.997 128 E HN -0.022 nan 8.360 nan 0.000 0.478 129 T N -0.190 114.656 114.554 0.486 0.000 2.927 129 T HA 0.233 4.579 4.350 -0.005 0.000 0.350 129 T C -1.461 173.553 174.700 0.523 0.000 1.746 129 T CA -0.770 61.619 62.100 0.483 0.000 1.081 129 T CB 0.644 69.766 68.868 0.423 0.000 1.551 129 T HN 0.176 nan 8.240 nan 0.000 0.489 130 L N 3.645 125.078 121.223 0.349 0.000 2.416 130 L HA 0.363 4.699 4.340 -0.005 0.000 0.272 130 L C 1.126 177.990 176.870 -0.010 0.000 1.161 130 L CA -0.711 54.218 54.840 0.148 0.000 0.845 130 L CB 0.359 42.454 42.059 0.059 0.000 1.119 130 L HN 0.616 nan 8.230 nan 0.000 0.464 131 N N 5.431 123.957 118.700 -0.291 0.000 2.447 131 N HA 0.017 4.754 4.740 -0.005 0.000 0.263 131 N C -1.532 173.789 175.510 -0.315 0.000 1.226 131 N CA -1.361 51.323 53.050 -0.609 0.000 0.906 131 N CB 1.132 39.215 38.487 -0.674 0.000 1.060 131 N HN 0.347 nan 8.380 nan 0.000 0.468 132 P HA -0.107 nan 4.420 nan 0.000 0.231 132 P C 1.381 178.579 177.300 -0.169 0.000 1.158 132 P CA 0.730 63.586 63.100 -0.408 0.000 0.763 132 P CB 0.405 31.713 31.700 -0.654 0.000 0.805 133 L N -0.529 120.641 121.223 -0.089 0.000 2.240 133 L HA 0.031 4.368 4.340 -0.005 0.000 0.211 133 L C 1.772 178.745 176.870 0.171 0.000 1.106 133 L CA 0.585 55.482 54.840 0.096 0.000 0.793 133 L CB -0.572 41.648 42.059 0.268 0.000 0.927 133 L HN -0.096 nan 8.230 nan 0.000 0.446 134 A N -0.175 122.652 122.820 0.012 0.000 3.074 134 A HA 0.136 4.453 4.320 -0.005 0.000 0.251 134 A C 1.698 179.250 177.584 -0.054 0.000 1.695 134 A CA 0.331 52.335 52.037 -0.056 0.000 1.343 134 A CB -0.475 18.430 19.000 -0.160 0.000 1.078 134 A HN 0.428 nan 8.150 nan 0.000 0.644 135 S N 0.765 116.464 115.700 -0.001 0.000 2.419 135 S HA -0.214 4.253 4.470 -0.005 0.000 0.233 135 S C 1.460 176.036 174.600 -0.039 0.000 1.016 135 S CA 1.236 59.420 58.200 -0.026 0.000 0.974 135 S CB -0.319 62.888 63.200 0.012 0.000 0.786 135 S HN 0.767 nan 8.310 nan 0.000 0.492 136 D N 2.025 122.418 120.400 -0.011 0.000 2.117 136 D HA -0.084 4.553 4.640 -0.005 0.000 0.198 136 D C 1.946 178.232 176.300 -0.024 0.000 0.982 136 D CA 1.055 55.050 54.000 -0.007 0.000 0.828 136 D CB -0.815 39.994 40.800 0.015 0.000 0.967 136 D HN 0.441 nan 8.370 nan 0.000 0.464 137 V N 1.046 120.935 119.914 -0.041 0.000 2.453 137 V HA -0.145 3.972 4.120 -0.005 0.000 0.247 137 V C 2.663 178.721 176.094 -0.060 0.000 1.048 137 V CA 0.681 62.964 62.300 -0.028 0.000 1.049 137 V CB -0.257 31.539 31.823 -0.045 0.000 0.672 137 V HN 0.147 nan 8.190 nan 0.000 0.457 138 I N 0.410 120.881 120.570 -0.167 0.000 2.142 138 I HA -0.231 3.936 4.170 -0.005 0.000 0.240 138 I C 2.629 178.562 176.117 -0.307 0.000 1.078 138 I CA 1.848 62.898 61.300 -0.417 0.000 1.343 138 I CB -1.149 36.566 38.000 -0.474 0.000 1.046 138 I HN 0.333 nan 8.210 nan 0.000 0.405 139 R N 1.333 121.731 120.500 -0.170 0.000 2.094 139 R HA -0.249 4.088 4.340 -0.005 0.000 0.239 139 R C 2.402 178.675 176.300 -0.045 0.000 1.137 139 R CA 2.208 58.251 56.100 -0.095 0.000 0.943 139 R CB -0.221 30.049 30.300 -0.050 0.000 0.850 139 R HN 0.274 nan 8.270 nan 0.000 0.433 140 K N -0.005 120.390 120.400 -0.009 0.000 1.973 140 K HA -0.175 4.141 4.320 -0.005 0.000 0.212 140 K C 1.925 178.570 176.600 0.076 0.000 1.047 140 K CA 1.826 58.137 56.287 0.041 0.000 0.937 140 K CB -0.066 32.473 32.500 0.064 0.000 0.721 140 K HN 0.158 nan 8.250 nan 0.000 0.440 141 E N 0.065 120.337 120.200 0.120 0.000 2.051 141 E HA -0.198 4.148 4.350 -0.005 0.000 0.192 141 E C 2.194 178.806 176.600 0.019 0.000 0.991 141 E CA 1.366 57.883 56.400 0.195 0.000 0.799 141 E CB -0.531 29.378 29.700 0.349 0.000 0.748 141 E HN 0.430 nan 8.360 nan 0.000 0.449 142 Y N 0.855 120.913 120.300 -0.404 0.000 2.200 142 Y HA -0.034 4.513 4.550 -0.006 0.000 0.290 142 Y C 2.596 178.016 175.900 -0.800 0.000 1.137 142 Y CA 0.960 58.583 58.100 -0.795 0.000 1.163 142 Y CB -1.118 36.871 38.460 -0.785 0.000 0.988 142 Y HN 0.103 nan 8.280 nan 0.000 0.518 143 G N -0.331 108.336 108.800 -0.221 0.000 2.421 143 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.216 143 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.216 143 G C 1.528 176.399 174.900 -0.047 0.000 1.171 143 G CA 0.950 45.982 45.100 -0.114 0.000 0.775 143 G HN 0.416 nan 8.290 nan 0.000 0.543 144 E N -0.447 119.769 120.200 0.026 0.000 2.150 144 E HA -0.061 4.286 4.350 -0.005 0.000 0.193 144 E C 2.345 179.048 176.600 0.171 0.000 0.985 144 E CA 0.566 57.057 56.400 0.152 0.000 0.814 144 E CB -0.093 29.771 29.700 0.274 0.000 0.752 144 E HN 0.354 nan 8.360 nan 0.000 0.466 145 L N -0.021 121.253 121.223 0.085 0.000 2.068 145 L HA -0.108 4.229 4.340 -0.005 0.000 0.204 145 L C 1.944 178.874 176.870 0.101 0.000 1.076 145 L CA 1.546 56.438 54.840 0.088 0.000 0.753 145 L CB -0.499 41.488 42.059 -0.120 0.000 0.910 145 L HN 0.180 nan 8.230 nan 0.000 0.439 146 Y N -0.592 119.666 120.300 -0.071 0.000 2.097 146 Y HA -0.314 4.234 4.550 -0.004 0.000 0.282 146 Y C 2.479 178.231 175.900 -0.247 0.000 1.152 146 Y CA 1.220 59.252 58.100 -0.113 0.000 1.136 146 Y CB -0.718 37.615 38.460 -0.212 0.000 0.975 146 Y HN 0.218 nan 8.280 nan 0.000 0.498 147 T N 0.138 114.657 114.554 -0.059 0.000 2.652 147 T HA -0.245 4.101 4.350 -0.005 0.000 0.267 147 T C 2.104 176.724 174.700 -0.133 0.000 1.039 147 T CA 1.339 63.362 62.100 -0.128 0.000 1.153 147 T CB -0.607 68.219 68.868 -0.070 0.000 0.863 147 T HN 0.474 nan 8.240 nan 0.000 0.428 148 A N 0.749 123.461 122.820 -0.182 0.000 1.933 148 A HA -0.036 4.281 4.320 -0.005 0.000 0.218 148 A C 2.022 179.251 177.584 -0.592 0.000 1.175 148 A CA 1.348 53.160 52.037 -0.376 0.000 0.628 148 A CB -0.939 17.569 19.000 -0.820 0.000 0.814 148 A HN 0.501 nan 8.150 nan 0.000 0.444 149 F N 0.882 120.466 119.950 -0.611 0.000 2.146 149 F HA -0.007 4.516 4.527 -0.006 0.000 0.298 149 F C 2.484 178.114 175.800 -0.283 0.000 1.096 149 F CA 1.082 58.653 58.000 -0.715 0.000 1.275 149 F CB -0.368 38.532 39.000 -0.165 0.000 1.008 149 F HN 0.242 nan 8.300 nan 0.000 0.480 150 A N 0.349 123.245 122.820 0.125 0.000 1.933 150 A HA -0.076 4.241 4.320 -0.005 0.000 0.218 150 A C 2.381 180.001 177.584 0.059 0.000 1.175 150 A CA 1.764 54.011 52.037 0.349 0.000 0.628 150 A CB -1.510 17.677 19.000 0.311 0.000 0.814 150 A HN 0.488 nan 8.150 nan 0.000 0.444 151 A N -0.363 122.382 122.820 -0.124 0.000 1.929 151 A HA 0.256 4.573 4.320 -0.005 0.000 0.216 151 A C 2.430 179.906 177.584 -0.180 0.000 1.176 151 A CA 1.771 53.722 52.037 -0.142 0.000 0.628 151 A CB -0.824 18.098 19.000 -0.131 0.000 0.816 151 A HN 1.013 nan 8.150 nan 0.000 0.444 152 A N -1.356 121.260 122.820 -0.339 0.000 2.014 152 A HA 0.052 4.369 4.320 -0.005 0.000 0.218 152 A C 1.893 179.346 177.584 -0.219 0.000 1.163 152 A CA 1.517 53.365 52.037 -0.315 0.000 0.652 152 A CB -0.283 18.370 19.000 -0.578 0.000 0.808 152 A HN 0.395 nan 8.150 nan 0.000 0.449 153 M N -0.895 118.540 119.600 -0.275 0.000 2.428 153 M HA 0.142 4.618 4.480 -0.005 0.000 0.239 153 M C 1.572 177.995 176.300 0.205 0.000 1.121 153 M CA 0.450 55.716 55.300 -0.056 0.000 1.019 153 M CB -0.685 31.681 32.600 -0.390 0.000 1.485 153 M HN 0.497 nan 8.290 nan 0.000 0.484 154 K N 1.540 121.976 120.400 0.059 0.000 2.059 154 K HA -0.176 4.141 4.320 -0.005 0.000 0.212 154 K C -0.968 175.553 176.600 -0.132 0.000 1.050 154 K CA 1.727 57.960 56.287 -0.090 0.000 0.927 154 K CB -0.749 31.653 32.500 -0.164 0.000 0.714 154 K HN 0.128 nan 8.250 nan 0.000 0.447 155 P HA -0.127 nan 4.420 nan 0.000 0.225 155 P C -0.178 176.761 177.300 -0.602 0.000 1.148 155 P CA 1.174 63.982 63.100 -0.486 0.000 0.779 155 P CB 0.075 31.339 31.700 -0.728 0.000 0.780 156 Y N -1.054 119.250 120.300 0.007 0.000 2.681 156 Y HA 0.191 4.737 4.550 -0.006 0.000 0.267 156 Y C 1.844 177.806 175.900 0.105 0.000 1.166 156 Y CA -0.592 57.525 58.100 0.028 0.000 1.209 156 Y CB -0.466 37.992 38.460 -0.003 0.000 1.161 156 Y HN -0.034 nan 8.280 nan 0.000 0.534 157 K N 0.376 120.921 120.400 0.240 0.000 2.218 157 K HA -0.228 4.088 4.320 -0.005 0.000 0.205 157 K C 0.987 177.715 176.600 0.213 0.000 1.046 157 K CA 2.129 58.624 56.287 0.347 0.000 0.933 157 K CB -0.339 32.226 32.500 0.108 0.000 0.728 157 K HN 0.404 nan 8.250 nan 0.000 0.454 158 D N 1.694 122.167 120.400 0.123 0.000 2.264 158 D HA -0.129 4.508 4.640 -0.005 0.000 0.208 158 D C 1.917 178.269 176.300 0.086 0.000 0.966 158 D CA 1.494 55.545 54.000 0.085 0.000 0.864 158 D CB -0.052 40.776 40.800 0.046 0.000 0.933 158 D HN 0.384 nan 8.370 nan 0.000 0.499 159 V N -1.757 118.222 119.914 0.108 0.000 3.650 159 V HA 0.171 4.288 4.120 -0.005 0.000 0.271 159 V C 0.773 176.901 176.094 0.057 0.000 1.281 159 V CA -0.374 61.968 62.300 0.071 0.000 1.120 159 V CB -0.254 31.619 31.823 0.083 0.000 0.856 159 V HN -0.104 nan 8.190 nan 0.000 0.443 160 I N 2.190 122.803 120.570 0.072 0.000 2.322 160 I HA 0.465 4.632 4.170 -0.005 0.000 0.292 160 I C 1.388 177.508 176.117 0.006 0.000 1.060 160 I CA 0.452 61.751 61.300 -0.002 0.000 1.309 160 I CB 0.319 38.253 38.000 -0.111 0.000 1.415 160 I HN 0.259 nan 8.210 nan 0.000 0.492 161 A N 6.516 129.334 122.820 -0.004 0.000 2.030 161 A HA 0.108 4.425 4.320 -0.005 0.000 0.215 161 A C 0.992 178.550 177.584 -0.043 0.000 1.164 161 A CA 0.733 52.800 52.037 0.049 0.000 0.697 161 A CB 0.397 19.504 19.000 0.178 0.000 0.827 161 A HN 0.710 nan 8.150 nan 0.000 0.457 162 K N -1.305 118.998 120.400 -0.162 0.000 2.642 162 K HA 0.595 4.912 4.320 -0.005 0.000 0.290 162 K C -2.253 174.118 176.600 -0.381 0.000 1.006 162 K CA -0.673 55.448 56.287 -0.277 0.000 0.869 162 K CB 0.983 33.270 32.500 -0.355 0.000 1.499 162 K HN 0.114 nan 8.250 nan 0.000 0.403 163 I N 2.334 122.620 120.570 -0.472 0.000 2.533 163 I HA 0.352 4.519 4.170 -0.005 0.000 0.290 163 I C -1.288 174.529 176.117 -0.500 0.000 1.056 163 I CA -0.818 60.169 61.300 -0.522 0.000 1.057 163 I CB 1.800 39.351 38.000 -0.748 0.000 1.240 163 I HN 0.529 nan 8.210 nan 0.000 0.423 164 Y N 5.645 125.747 120.300 -0.331 0.000 2.360 164 Y HA 0.599 5.146 4.550 -0.004 0.000 0.337 164 Y C -0.220 175.523 175.900 -0.261 0.000 1.039 164 Y CA -0.741 57.211 58.100 -0.247 0.000 1.109 164 Y CB 1.797 40.135 38.460 -0.204 0.000 1.201 164 Y HN 0.273 nan 8.280 nan 0.000 0.458 165 L N 2.009 123.244 121.223 0.019 0.000 2.334 165 L HA 0.494 4.830 4.340 -0.005 0.000 0.272 165 L C -0.029 176.884 176.870 0.071 0.000 1.020 165 L CA -0.925 53.898 54.840 -0.028 0.000 0.812 165 L CB 1.772 43.802 42.059 -0.048 0.000 1.264 165 L HN 0.471 nan 8.230 nan 0.000 0.439 166 S N 0.235 115.998 115.700 0.105 0.000 2.410 166 S HA 0.375 4.841 4.470 -0.005 0.000 0.304 166 S C 0.823 175.577 174.600 0.257 0.000 1.095 166 S CA -0.420 57.890 58.200 0.183 0.000 1.089 166 S CB 0.928 64.317 63.200 0.316 0.000 0.968 166 S HN 0.796 nan 8.310 nan 0.000 0.480 167 G N 2.898 111.830 108.800 0.220 0.000 2.985 167 G HA2 0.531 4.488 3.960 -0.005 0.000 0.209 167 G HA3 0.531 4.488 3.960 -0.005 0.000 0.209 167 G C 0.673 175.722 174.900 0.248 0.000 1.165 167 G CA 0.210 45.488 45.100 0.297 0.000 0.776 167 G HN 1.161 nan 8.290 nan 0.000 0.541 168 G N -0.799 108.103 108.800 0.170 0.000 2.399 168 G HA2 0.372 4.329 3.960 -0.005 0.000 0.256 168 G HA3 0.372 4.329 3.960 -0.005 0.000 0.256 168 G C -3.306 171.606 174.900 0.019 0.000 1.236 168 G CA -0.763 44.395 45.100 0.096 0.000 0.914 168 G HN -0.051 nan 8.290 nan 0.000 0.482 169 P HA 0.401 nan 4.420 nan 0.000 0.268 169 P C 0.588 177.753 177.300 -0.225 0.000 1.204 169 P CA 1.867 64.907 63.100 -0.099 0.000 0.768 169 P CB 1.238 32.839 31.700 -0.165 0.000 0.842 170 A N 3.563 126.189 122.820 -0.323 0.000 2.829 170 A HA -0.090 4.227 4.320 -0.005 0.000 0.267 170 A C 1.448 178.690 177.584 -0.570 0.000 1.370 170 A CA 1.313 53.144 52.037 -0.342 0.000 0.900 170 A CB -2.468 16.479 19.000 -0.088 0.000 1.044 170 A HN 1.076 nan 8.150 nan 0.000 0.691 171 G N -2.011 106.183 108.800 -1.010 0.000 2.160 171 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.251 171 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.251 171 G C -0.280 174.548 174.900 -0.120 0.000 1.008 171 G CA 0.996 45.837 45.100 -0.431 0.000 0.724 171 G HN 1.311 nan 8.290 nan 0.000 0.514 172 E N -1.031 119.121 120.200 -0.081 0.000 2.195 172 E HA 0.558 4.905 4.350 -0.005 0.000 0.271 172 E C -0.239 176.429 176.600 0.114 0.000 0.923 172 E CA -1.218 55.216 56.400 0.057 0.000 0.790 172 E CB 2.013 31.761 29.700 0.079 0.000 1.155 172 E HN 0.150 nan 8.360 nan 0.000 0.402 173 L N 4.751 126.108 121.223 0.223 0.000 2.454 173 L HA 0.210 4.547 4.340 -0.005 0.000 0.284 173 L C -0.349 176.664 176.870 0.238 0.000 1.139 173 L CA 0.802 55.786 54.840 0.241 0.000 0.911 173 L CB -0.886 41.383 42.059 0.349 0.000 1.262 173 L HN 0.615 nan 8.230 nan 0.000 0.453 174 R N 2.144 122.653 120.500 0.014 0.000 2.832 174 R HA 0.312 4.648 4.340 -0.005 0.000 0.283 174 R C -1.565 174.558 176.300 -0.296 0.000 0.998 174 R CA -1.034 54.986 56.100 -0.133 0.000 0.843 174 R CB 0.275 30.494 30.300 -0.136 0.000 1.332 174 R HN 0.149 nan 8.270 nan 0.000 0.490 175 Y N 0.455 120.599 120.300 -0.261 0.000 2.354 175 Y HA 0.395 4.942 4.550 -0.005 0.000 0.322 175 Y C -1.594 174.057 175.900 -0.414 0.000 1.253 175 Y CA -2.165 55.740 58.100 -0.325 0.000 1.272 175 Y CB 1.172 39.517 38.460 -0.192 0.000 1.255 175 Y HN 0.396 nan 8.280 nan 0.000 0.500 176 P HA 0.034 nan 4.420 nan 0.000 0.220 176 P C 0.107 177.266 177.300 -0.235 0.000 1.806 176 P CA 0.109 62.965 63.100 -0.405 0.000 0.976 176 P CB -0.136 31.273 31.700 -0.485 0.000 1.952 177 S N -0.106 115.502 115.700 -0.153 0.000 2.489 177 S HA -0.097 4.370 4.470 -0.005 0.000 0.228 177 S C 0.655 175.332 174.600 0.128 0.000 0.995 177 S CA 0.061 58.263 58.200 0.003 0.000 0.934 177 S CB -1.067 62.153 63.200 0.033 0.000 0.771 177 S HN 0.415 nan 8.310 nan 0.000 0.522 178 Y N 1.721 122.060 120.300 0.064 0.000 2.686 178 Y HA 0.742 5.288 4.550 -0.006 0.000 0.331 178 Y C -0.266 175.685 175.900 0.085 0.000 0.996 178 Y CA -0.985 57.195 58.100 0.134 0.000 1.293 178 Y CB 0.268 38.928 38.460 0.333 0.000 1.092 178 Y HN 0.122 nan 8.280 nan 0.000 0.524 179 T N -1.721 112.913 114.554 0.133 0.000 2.903 179 T HA 0.328 4.675 4.350 -0.005 0.000 0.299 179 T C 0.586 175.323 174.700 0.062 0.000 1.093 179 T CA -0.533 61.606 62.100 0.065 0.000 1.002 179 T CB 1.725 70.594 68.868 0.001 0.000 1.127 179 T HN 0.436 nan 8.240 nan 0.000 0.488 180 T N 1.483 116.061 114.554 0.040 0.000 2.708 180 T HA -0.094 4.253 4.350 -0.005 0.000 0.266 180 T C 2.179 176.887 174.700 0.013 0.000 1.037 180 T CA 1.841 63.955 62.100 0.024 0.000 1.146 180 T CB -0.630 68.245 68.868 0.011 0.000 0.865 180 T HN 0.729 nan 8.240 nan 0.000 0.435 181 S N 1.451 117.156 115.700 0.007 0.000 2.419 181 S HA -0.109 4.358 4.470 -0.005 0.000 0.233 181 S C 1.616 176.219 174.600 0.006 0.000 1.016 181 S CA 1.032 59.232 58.200 0.000 0.000 0.974 181 S CB -0.277 62.919 63.200 -0.007 0.000 0.786 181 S HN 0.420 nan 8.310 nan 0.000 0.492 182 D N 0.510 120.920 120.400 0.016 0.000 2.349 182 D HA 0.210 4.847 4.640 -0.005 0.000 0.214 182 D C 1.134 177.447 176.300 0.021 0.000 1.063 182 D CA 0.401 54.413 54.000 0.019 0.000 0.847 182 D CB -0.298 40.519 40.800 0.028 0.000 0.933 182 D HN 0.356 nan 8.370 nan 0.000 0.513 183 G N 0.917 109.730 108.800 0.021 0.000 2.323 183 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.292 183 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.292 183 G C 0.743 175.664 174.900 0.034 0.000 1.040 183 G CA 0.963 46.074 45.100 0.019 0.000 0.942 183 G HN 0.428 nan 8.290 nan 0.000 0.506 184 T N -2.700 111.892 114.554 0.064 0.000 3.231 184 T HA 0.567 4.913 4.350 -0.005 0.000 0.292 184 T C 1.332 176.136 174.700 0.172 0.000 1.001 184 T CA 0.657 62.823 62.100 0.110 0.000 0.920 184 T CB 0.977 69.920 68.868 0.125 0.000 1.140 184 T HN 1.309 nan 8.240 nan 0.000 0.525 185 G N 0.938 109.801 108.800 0.106 0.000 2.699 185 G HA2 0.343 4.300 3.960 -0.005 0.000 0.246 185 G HA3 0.343 4.300 3.960 -0.005 0.000 0.246 185 G C -0.451 174.422 174.900 -0.046 0.000 1.219 185 G CA -0.701 44.450 45.100 0.084 0.000 0.866 185 G HN 0.496 nan 8.290 nan 0.000 0.572 186 Y N 1.691 121.734 120.300 -0.429 0.000 2.702 186 Y HA 0.270 4.817 4.550 -0.005 0.000 0.336 186 Y C -1.060 174.555 175.900 -0.476 0.000 1.235 186 Y CA -1.055 56.500 58.100 -0.909 0.000 1.492 186 Y CB 1.176 38.899 38.460 -1.229 0.000 1.308 186 Y HN 0.320 nan 8.280 nan 0.000 0.589 187 P HA 0.188 nan 4.420 nan 0.000 0.262 187 P C -0.725 176.401 177.300 -0.291 0.000 1.651 187 P CA -0.128 62.230 63.100 -1.236 0.000 1.119 187 P CB 0.183 31.078 31.700 -1.343 0.000 1.552 188 S N 1.303 116.916 115.700 -0.146 0.000 2.580 188 S HA 0.172 4.639 4.470 -0.005 0.000 0.266 188 S C 0.751 175.460 174.600 0.183 0.000 1.354 188 S CA -0.471 57.745 58.200 0.026 0.000 1.008 188 S CB 0.374 63.583 63.200 0.016 0.000 0.898 188 S HN 0.362 nan 8.310 nan 0.000 0.555 189 R N 0.205 120.766 120.500 0.101 0.000 2.582 189 R HA 0.567 4.903 4.340 -0.005 0.000 0.271 189 R C 0.486 176.821 176.300 0.059 0.000 1.078 189 R CA -0.479 55.661 56.100 0.066 0.000 1.127 189 R CB -0.026 30.282 30.300 0.014 0.000 1.038 189 R HN 0.587 nan 8.270 nan 0.000 0.500 190 G N 1.349 110.147 108.800 -0.003 0.000 2.528 190 G HA2 0.299 4.256 3.960 -0.005 0.000 0.289 190 G HA3 0.299 4.256 3.960 -0.005 0.000 0.289 190 G C -0.903 173.915 174.900 -0.135 0.000 1.192 190 G CA -0.980 44.113 45.100 -0.013 0.000 0.921 190 G HN 0.522 nan 8.290 nan 0.000 0.512 191 K N -0.305 120.034 120.400 -0.101 0.000 2.207 191 K HA 0.373 4.689 4.320 -0.005 0.000 0.255 191 K C -0.906 175.623 176.600 -0.118 0.000 0.941 191 K CA -0.459 55.766 56.287 -0.104 0.000 0.825 191 K CB 1.886 34.377 32.500 -0.014 0.000 1.119 191 K HN 0.359 nan 8.250 nan 0.000 0.430 192 F N 1.583 121.573 119.950 0.067 0.000 2.506 192 F HA 0.012 4.536 4.527 -0.006 0.000 0.351 192 F C 1.356 177.326 175.800 0.284 0.000 1.136 192 F CA 0.150 58.199 58.000 0.082 0.000 1.298 192 F CB 0.670 39.634 39.000 -0.060 0.000 1.145 192 F HN 0.240 nan 8.300 nan 0.000 0.593 193 Q N 2.926 123.008 119.800 0.469 0.000 2.354 193 Q HA 0.365 4.702 4.340 -0.005 0.000 0.372 193 Q C -0.242 176.073 176.000 0.524 0.000 0.923 193 Q CA -0.114 55.982 55.803 0.489 0.000 1.123 193 Q CB 1.176 30.162 28.738 0.414 0.000 1.298 193 Q HN 0.657 nan 8.270 nan 0.000 0.419 194 A N 0.178 123.226 122.820 0.381 0.000 2.956 194 A HA 0.381 4.698 4.320 -0.005 0.000 0.294 194 A C -0.379 177.077 177.584 -0.214 0.000 0.993 194 A CA -0.294 51.856 52.037 0.188 0.000 1.032 194 A CB -0.023 19.164 19.000 0.311 0.000 1.129 194 A HN 0.272 nan 8.150 nan 0.000 0.505 195 Y N 0.412 120.839 120.300 0.211 0.000 2.555 195 Y HA 0.136 4.683 4.550 -0.006 0.000 0.259 195 Y C 1.418 177.399 175.900 0.135 0.000 1.179 195 Y CA 0.175 58.359 58.100 0.140 0.000 1.230 195 Y CB 0.166 38.691 38.460 0.108 0.000 1.146 195 Y HN 0.410 nan 8.280 nan 0.000 0.526 196 T N -2.405 112.277 114.554 0.212 0.000 2.868 196 T HA 0.066 4.412 4.350 -0.005 0.000 0.292 196 T C 1.174 175.960 174.700 0.143 0.000 1.028 196 T CA -0.577 61.607 62.100 0.140 0.000 1.059 196 T CB 1.316 70.203 68.868 0.030 0.000 0.991 196 T HN 0.103 nan 8.240 nan 0.000 0.531 197 E N 0.294 120.573 120.200 0.132 0.000 2.160 197 E HA -0.093 4.253 4.350 -0.005 0.000 0.195 197 E C 1.446 178.146 176.600 0.168 0.000 0.991 197 E CA 0.878 57.358 56.400 0.133 0.000 0.810 197 E CB -0.401 29.371 29.700 0.121 0.000 0.742 197 E HN 0.785 nan 8.360 nan 0.000 0.466 198 F N 1.480 121.445 119.950 0.026 0.000 2.146 198 F HA -0.111 4.413 4.527 -0.006 0.000 0.298 198 F C 2.268 178.130 175.800 0.103 0.000 1.096 198 F CA 1.282 59.308 58.000 0.043 0.000 1.275 198 F CB -0.315 38.684 39.000 -0.002 0.000 1.008 198 F HN -0.015 nan 8.300 nan 0.000 0.480 199 A N 0.382 123.326 122.820 0.208 0.000 1.877 199 A HA -0.217 4.100 4.320 -0.005 0.000 0.216 199 A C 2.246 179.894 177.584 0.107 0.000 1.186 199 A CA 1.931 54.103 52.037 0.226 0.000 0.620 199 A CB -0.693 18.480 19.000 0.287 0.000 0.822 199 A HN 0.448 nan 8.150 nan 0.000 0.443 200 K N 0.001 120.427 120.400 0.044 0.000 2.097 200 K HA -0.086 4.230 4.320 -0.005 0.000 0.206 200 K C 2.315 178.916 176.600 0.002 0.000 1.049 200 K CA 1.548 57.841 56.287 0.010 0.000 0.933 200 K CB -0.215 32.304 32.500 0.032 0.000 0.717 200 K HN 0.428 nan 8.250 nan 0.000 0.442 201 S N 0.956 116.642 115.700 -0.024 0.000 2.368 201 S HA -0.060 4.407 4.470 -0.005 0.000 0.224 201 S C 1.727 176.271 174.600 -0.093 0.000 1.029 201 S CA 1.004 59.169 58.200 -0.058 0.000 0.988 201 S CB 0.000 63.160 63.200 -0.067 0.000 0.838 201 S HN 0.187 nan 8.310 nan 0.000 0.462 202 K N 0.932 121.253 120.400 -0.132 0.000 2.097 202 K HA 0.044 4.361 4.320 -0.005 0.000 0.205 202 K C 1.751 178.405 176.600 0.090 0.000 1.050 202 K CA 0.828 57.114 56.287 -0.002 0.000 0.938 202 K CB -0.673 31.855 32.500 0.047 0.000 0.718 202 K HN 0.420 nan 8.250 nan 0.000 0.442 203 F N 2.343 122.043 119.950 -0.416 0.000 2.102 203 F HA -0.131 4.393 4.527 -0.006 0.000 0.298 203 F C 2.517 178.139 175.800 -0.296 0.000 1.105 203 F CA 1.406 58.782 58.000 -1.040 0.000 1.239 203 F CB -0.331 37.839 39.000 -1.384 0.000 0.991 203 F HN -0.085 nan 8.300 nan 0.000 0.474 204 R N 0.432 120.745 120.500 -0.312 0.000 2.083 204 R HA -0.183 4.154 4.340 -0.005 0.000 0.237 204 R C 2.376 178.573 176.300 -0.172 0.000 1.137 204 R CA 2.200 58.145 56.100 -0.260 0.000 0.951 204 R CB -0.644 29.597 30.300 -0.099 0.000 0.851 204 R HN 0.437 nan 8.270 nan 0.000 0.434 205 L N -0.947 120.230 121.223 -0.077 0.000 2.083 205 L HA -0.214 4.123 4.340 -0.005 0.000 0.209 205 L C 2.337 179.215 176.870 0.013 0.000 1.083 205 L CA 1.482 56.308 54.840 -0.025 0.000 0.752 205 L CB -0.555 41.511 42.059 0.013 0.000 0.899 205 L HN 0.426 nan 8.230 nan 0.000 0.433 206 W N 0.208 121.430 121.300 -0.131 0.000 2.358 206 W HA -0.180 4.476 4.660 -0.006 0.000 0.303 206 W C 2.235 178.661 176.519 -0.155 0.000 1.208 206 W CA 1.571 58.879 57.345 -0.061 0.000 1.274 206 W CB -0.144 29.377 29.460 0.101 0.000 1.138 206 W HN -0.203 nan 8.180 nan 0.000 0.515 207 V N 1.281 121.179 119.914 -0.027 0.000 2.270 207 V HA -0.327 3.789 4.120 -0.005 0.000 0.245 207 V C 2.332 178.285 176.094 -0.236 0.000 1.043 207 V CA 2.071 64.270 62.300 -0.167 0.000 1.014 207 V CB -1.179 30.514 31.823 -0.216 0.000 0.645 207 V HN 0.233 nan 8.190 nan 0.000 0.447 208 L N 0.325 121.433 121.223 -0.190 0.000 2.127 208 L HA -0.215 4.122 4.340 -0.005 0.000 0.211 208 L C 2.367 179.131 176.870 -0.177 0.000 1.089 208 L CA 2.107 56.854 54.840 -0.155 0.000 0.757 208 L CB -0.789 41.198 42.059 -0.119 0.000 0.899 208 L HN 0.455 nan 8.230 nan 0.000 0.434 209 N N 0.421 118.988 118.700 -0.222 0.000 2.216 209 N HA -0.215 4.522 4.740 -0.005 0.000 0.183 209 N C 1.870 177.168 175.510 -0.353 0.000 1.017 209 N CA 1.075 53.982 53.050 -0.239 0.000 0.861 209 N CB 0.049 38.409 38.487 -0.213 0.000 0.986 209 N HN 0.162 nan 8.380 nan 0.000 0.428 210 K N -1.043 119.015 120.400 -0.571 0.000 2.103 210 K HA -0.113 4.204 4.320 -0.005 0.000 0.204 210 K C 0.765 176.941 176.600 -0.707 0.000 1.052 210 K CA 1.204 57.027 56.287 -0.773 0.000 0.945 210 K CB -0.080 31.683 32.500 -1.229 0.000 0.722 210 K HN 0.361 nan 8.250 nan 0.000 0.443 211 Y N -0.959 119.170 120.300 -0.286 0.000 2.458 211 Y HA 0.207 4.754 4.550 -0.005 0.000 0.256 211 Y C 1.537 177.326 175.900 -0.185 0.000 1.159 211 Y CA -0.008 57.953 58.100 -0.232 0.000 1.261 211 Y CB 1.207 39.495 38.460 -0.287 0.000 1.119 211 Y HN 0.366 nan 8.280 nan 0.000 0.524 212 G N 0.731 109.486 108.800 -0.075 0.000 2.779 212 G HA2 -0.367 3.590 3.960 -0.005 0.000 0.230 212 G HA3 -0.367 3.590 3.960 -0.005 0.000 0.230 212 G C 0.453 175.316 174.900 -0.061 0.000 1.243 212 G CA 0.656 45.715 45.100 -0.068 0.000 0.769 212 G HN 0.573 nan 8.290 nan 0.000 0.516 213 S N -1.245 114.422 115.700 -0.055 0.000 2.638 213 S HA 0.701 5.168 4.470 -0.005 0.000 0.274 213 S C 0.557 175.090 174.600 -0.111 0.000 1.157 213 S CA 0.199 58.354 58.200 -0.074 0.000 0.826 213 S CB 1.766 64.930 63.200 -0.062 0.000 1.139 213 S HN 1.227 nan 8.310 nan 0.000 0.474 214 L N 1.771 122.927 121.223 -0.113 0.000 2.083 214 L HA 0.053 4.389 4.340 -0.005 0.000 0.209 214 L C 1.677 178.455 176.870 -0.155 0.000 1.083 214 L CA 2.049 56.803 54.840 -0.143 0.000 0.752 214 L CB -1.532 40.468 42.059 -0.098 0.000 0.899 214 L HN 0.824 nan 8.230 nan 0.000 0.433 215 N N -0.613 118.018 118.700 -0.114 0.000 2.223 215 N HA -0.201 4.535 4.740 -0.005 0.000 0.185 215 N C 1.728 177.154 175.510 -0.140 0.000 1.016 215 N CA 1.219 54.207 53.050 -0.104 0.000 0.863 215 N CB -0.152 38.292 38.487 -0.071 0.000 0.983 215 N HN 0.365 nan 8.380 nan 0.000 0.429 216 E N 0.142 120.248 120.200 -0.157 0.000 2.170 216 E HA 0.045 4.392 4.350 -0.005 0.000 0.191 216 E C 1.668 177.998 176.600 -0.450 0.000 0.981 216 E CA 0.216 56.501 56.400 -0.192 0.000 0.830 216 E CB 0.057 29.713 29.700 -0.073 0.000 0.775 216 E HN 0.073 nan 8.360 nan 0.000 0.470 217 V N 1.392 120.992 119.914 -0.523 0.000 2.307 217 V HA -0.235 3.881 4.120 -0.005 0.000 0.245 217 V C 1.893 177.548 176.094 -0.731 0.000 1.045 217 V CA 1.814 63.547 62.300 -0.945 0.000 1.024 217 V CB -0.564 30.782 31.823 -0.796 0.000 0.651 217 V HN 0.322 nan 8.190 nan 0.000 0.449 218 N N 0.059 118.539 118.700 -0.368 0.000 2.289 218 N HA -0.176 4.561 4.740 -0.005 0.000 0.184 218 N C 1.834 177.274 175.510 -0.116 0.000 1.016 218 N CA 1.312 54.270 53.050 -0.153 0.000 0.872 218 N CB -0.226 38.206 38.487 -0.092 0.000 0.973 218 N HN 0.533 nan 8.380 nan 0.000 0.433 219 K N 0.622 120.911 120.400 -0.184 0.000 2.062 219 K HA 0.054 4.370 4.320 -0.005 0.000 0.205 219 K C 1.892 178.426 176.600 -0.111 0.000 1.051 219 K CA 1.021 57.234 56.287 -0.122 0.000 0.941 219 K CB 0.016 32.445 32.500 -0.119 0.000 0.719 219 K HN 0.048 nan 8.250 nan 0.000 0.440 220 A N 0.314 122.981 122.820 -0.254 0.000 1.897 220 A HA -0.116 4.200 4.320 -0.005 0.000 0.215 220 A C 1.612 179.269 177.584 0.121 0.000 1.181 220 A CA 0.952 52.895 52.037 -0.157 0.000 0.620 220 A CB -0.724 17.972 19.000 -0.506 0.000 0.821 220 A HN 0.480 nan 8.150 nan 0.000 0.443 221 W N -0.994 120.228 121.300 -0.130 0.000 2.518 221 W HA 0.298 4.955 4.660 -0.006 0.000 0.273 221 W C 1.646 178.160 176.519 -0.007 0.000 1.247 221 W CA 0.615 57.956 57.345 -0.007 0.000 1.288 221 W CB -0.956 28.521 29.460 0.029 0.000 1.107 221 W HN 0.631 nan 8.180 nan 0.000 0.586 222 G N 1.014 109.922 108.800 0.180 0.000 2.182 222 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.248 222 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.248 222 G C 0.274 175.229 174.900 0.092 0.000 1.042 222 G CA 0.524 45.682 45.100 0.096 0.000 0.775 222 G HN 0.275 nan 8.290 nan 0.000 0.501 223 T N -2.902 111.725 114.554 0.121 0.000 2.938 223 T HA 0.761 5.107 4.350 -0.005 0.000 0.285 223 T C 0.164 174.893 174.700 0.048 0.000 1.028 223 T CA -0.752 61.408 62.100 0.099 0.000 1.005 223 T CB 2.215 71.196 68.868 0.188 0.000 1.157 223 T HN 0.163 nan 8.240 nan 0.000 0.550 224 K N 1.085 121.505 120.400 0.034 0.000 3.237 224 K HA 0.353 4.669 4.320 -0.005 0.000 0.197 224 K C -0.553 176.055 176.600 0.013 0.000 1.133 224 K CA -0.318 55.977 56.287 0.012 0.000 0.944 224 K CB 0.206 32.709 32.500 0.005 0.000 0.952 224 K HN 0.462 nan 8.250 nan 0.000 0.515 225 L N 1.969 123.205 121.223 0.023 0.000 2.455 225 L HA 0.114 4.451 4.340 -0.005 0.000 0.272 225 L C 1.750 178.621 176.870 0.002 0.000 1.174 225 L CA 0.094 54.948 54.840 0.023 0.000 0.869 225 L CB 0.440 42.526 42.059 0.044 0.000 1.130 225 L HN 0.462 nan 8.230 nan 0.000 0.474 226 I N 1.767 122.339 120.570 0.004 0.000 2.202 226 I HA -0.139 4.027 4.170 -0.005 0.000 0.242 226 I C 1.225 177.338 176.117 -0.006 0.000 1.091 226 I CA 1.134 62.432 61.300 -0.002 0.000 1.368 226 I CB 0.377 38.377 38.000 0.001 0.000 1.058 226 I HN 0.821 nan 8.210 nan 0.000 0.410 227 S N -0.865 114.834 115.700 -0.002 0.000 2.732 227 S HA 0.311 4.778 4.470 -0.005 0.000 0.293 227 S C 0.567 175.163 174.600 -0.007 0.000 1.159 227 S CA -0.756 57.440 58.200 -0.007 0.000 0.847 227 S CB 1.292 64.491 63.200 -0.001 0.000 1.169 227 S HN 0.249 nan 8.310 nan 0.000 0.501 228 E N 0.473 120.664 120.200 -0.015 0.000 2.204 228 E HA -0.048 4.299 4.350 -0.005 0.000 0.195 228 E C 1.464 178.065 176.600 0.002 0.000 0.990 228 E CA 0.625 57.012 56.400 -0.022 0.000 0.821 228 E CB -0.419 29.263 29.700 -0.030 0.000 0.750 228 E HN 0.481 nan 8.360 nan 0.000 0.477 229 L N 0.402 121.631 121.223 0.011 0.000 2.551 229 L HA 0.049 4.386 4.340 -0.005 0.000 0.228 229 L C 1.978 178.871 176.870 0.039 0.000 1.153 229 L CA 0.795 55.650 54.840 0.024 0.000 0.851 229 L CB -1.280 40.792 42.059 0.021 0.000 0.959 229 L HN 0.040 nan 8.230 nan 0.000 0.451 230 A N -0.742 122.104 122.820 0.043 0.000 2.238 230 A HA 0.159 4.475 4.320 -0.005 0.000 0.210 230 A C 1.197 178.848 177.584 0.111 0.000 1.179 230 A CA -0.154 51.918 52.037 0.058 0.000 0.827 230 A CB -0.108 18.920 19.000 0.046 0.000 0.856 230 A HN 0.251 nan 8.150 nan 0.000 0.488 231 I N 1.716 122.366 120.570 0.134 0.000 2.347 231 I HA 0.290 4.457 4.170 -0.005 0.000 0.294 231 I C -0.641 175.630 176.117 0.257 0.000 1.090 231 I CA 0.363 61.817 61.300 0.257 0.000 1.314 231 I CB 0.181 38.262 38.000 0.135 0.000 1.423 231 I HN 0.180 nan 8.210 nan 0.000 0.503 232 L N 7.406 128.817 121.223 0.313 0.000 2.403 232 L HA 0.607 4.943 4.340 -0.005 0.000 0.253 232 L C -2.543 174.388 176.870 0.102 0.000 1.045 232 L CA -1.948 53.017 54.840 0.209 0.000 0.845 232 L CB 1.980 44.078 42.059 0.065 0.000 1.447 232 L HN 0.249 nan 8.230 nan 0.000 0.411 233 P HA 0.172 nan 4.420 nan 0.000 0.274 233 P C -2.608 174.358 177.300 -0.557 0.000 1.256 233 P CA -1.110 61.501 63.100 -0.816 0.000 0.795 233 P CB -0.251 30.868 31.700 -0.967 0.000 1.038 234 P HA -0.051 nan 4.420 nan 0.000 0.262 234 P C 0.561 177.773 177.300 -0.147 0.000 1.199 234 P CA 0.566 63.374 63.100 -0.487 0.000 0.763 234 P CB 0.354 31.552 31.700 -0.835 0.000 0.790 235 S N 1.342 116.987 115.700 -0.091 0.000 2.402 235 S HA -0.100 4.366 4.470 -0.005 0.000 0.229 235 S C 0.708 175.288 174.600 -0.033 0.000 1.021 235 S CA 0.701 58.884 58.200 -0.028 0.000 0.974 235 S CB -0.301 62.877 63.200 -0.036 0.000 0.800 235 S HN 0.472 nan 8.310 nan 0.000 0.484 236 D N 0.900 121.292 120.400 -0.013 0.000 2.446 236 D HA 0.511 5.148 4.640 -0.005 0.000 0.251 236 D C 1.111 177.469 176.300 0.097 0.000 1.137 236 D CA -0.225 53.790 54.000 0.025 0.000 0.890 236 D CB 0.969 41.787 40.800 0.030 0.000 1.071 236 D HN 0.112 nan 8.370 nan 0.000 0.528 237 G N 2.951 111.821 108.800 0.116 0.000 2.476 237 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.218 237 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.218 237 G C 1.164 176.235 174.900 0.285 0.000 1.164 237 G CA 0.883 46.143 45.100 0.266 0.000 0.768 237 G HN 0.579 nan 8.290 nan 0.000 0.560 238 E N -0.346 119.950 120.200 0.160 0.000 2.058 238 E HA -0.228 4.119 4.350 -0.005 0.000 0.194 238 E C 2.444 179.126 176.600 0.137 0.000 0.997 238 E CA 1.283 57.758 56.400 0.125 0.000 0.801 238 E CB -0.212 29.531 29.700 0.072 0.000 0.746 238 E HN 0.489 nan 8.360 nan 0.000 0.450 239 Q N 0.101 119.978 119.800 0.128 0.000 2.124 239 Q HA -0.199 4.137 4.340 -0.005 0.000 0.202 239 Q C 2.045 178.137 176.000 0.154 0.000 0.977 239 Q CA 1.386 57.254 55.803 0.108 0.000 0.850 239 Q CB -0.404 28.380 28.738 0.076 0.000 0.901 239 Q HN 0.376 nan 8.270 nan 0.000 0.429 240 F N 1.045 121.044 119.950 0.082 0.000 2.102 240 F HA -0.166 4.357 4.527 -0.006 0.000 0.298 240 F C 2.021 177.964 175.800 0.238 0.000 1.105 240 F CA 1.312 59.383 58.000 0.118 0.000 1.239 240 F CB -0.254 38.780 39.000 0.058 0.000 0.991 240 F HN 0.055 nan 8.300 nan 0.000 0.474 241 L N -0.651 120.736 121.223 0.272 0.000 2.291 241 L HA -0.189 4.148 4.340 -0.005 0.000 0.214 241 L C 2.341 179.267 176.870 0.093 0.000 1.120 241 L CA 0.761 55.675 54.840 0.123 0.000 0.799 241 L CB -0.455 41.679 42.059 0.126 0.000 0.925 241 L HN 0.285 nan 8.230 nan 0.000 0.446 242 M N 0.057 119.735 119.600 0.130 0.000 2.160 242 M HA -0.094 4.383 4.480 -0.005 0.000 0.264 242 M C 1.432 177.835 176.300 0.172 0.000 1.073 242 M CA 1.749 57.121 55.300 0.120 0.000 1.142 242 M CB 0.008 32.647 32.600 0.066 0.000 1.358 242 M HN 0.416 nan 8.290 nan 0.000 0.422 243 N N -2.150 116.592 118.700 0.070 0.000 1.952 243 N HA 0.059 4.796 4.740 -0.005 0.000 0.231 243 N C 1.215 176.560 175.510 -0.274 0.000 1.378 243 N CA 0.634 53.611 53.050 -0.122 0.000 0.828 243 N CB -0.904 37.528 38.487 -0.093 0.000 1.097 243 N HN 0.153 nan 8.380 nan 0.000 0.476 244 G N 1.040 109.719 108.800 -0.202 0.000 2.450 244 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.220 244 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.220 244 G C 1.233 175.780 174.900 -0.589 0.000 1.130 244 G CA 1.222 46.156 45.100 -0.276 0.000 0.760 244 G HN 0.563 nan 8.290 nan 0.000 0.557 245 Y N 0.012 119.725 120.300 -0.977 0.000 2.497 245 Y HA 0.245 4.792 4.550 -0.005 0.000 0.292 245 Y C 2.057 177.791 175.900 -0.277 0.000 1.137 245 Y CA 0.290 57.908 58.100 -0.802 0.000 1.285 245 Y CB -0.298 37.795 38.460 -0.611 0.000 0.991 245 Y HN 0.105 nan 8.280 nan 0.000 0.556 246 L N 0.817 121.501 121.223 -0.898 0.000 2.395 246 L HA 0.001 4.338 4.340 -0.005 0.000 0.218 246 L C 1.452 178.173 176.870 -0.248 0.000 1.130 246 L CA 0.347 54.822 54.840 -0.609 0.000 0.826 246 L CB -0.490 41.199 42.059 -0.618 0.000 0.941 246 L HN 0.345 nan 8.230 nan 0.000 0.451 247 S N -0.892 114.702 115.700 -0.177 0.000 2.614 247 S HA 0.064 4.530 4.470 -0.005 0.000 0.265 247 S C 0.918 175.539 174.600 0.034 0.000 1.303 247 S CA -0.596 57.578 58.200 -0.044 0.000 1.000 247 S CB 1.202 64.396 63.200 -0.010 0.000 0.935 247 S HN 0.098 nan 8.310 nan 0.000 0.551 248 M N 1.174 120.831 119.600 0.094 0.000 2.159 248 M HA -0.049 4.428 4.480 -0.005 0.000 0.263 248 M C 1.695 178.099 176.300 0.173 0.000 1.063 248 M CA 1.671 57.089 55.300 0.196 0.000 1.110 248 M CB -1.415 31.365 32.600 0.299 0.000 1.374 248 M HN 0.895 nan 8.290 nan 0.000 0.411 249 Y N 0.022 120.181 120.300 -0.236 0.000 2.128 249 Y HA -0.074 4.472 4.550 -0.005 0.000 0.284 249 Y C 2.022 177.883 175.900 -0.065 0.000 1.154 249 Y CA 2.159 59.847 58.100 -0.687 0.000 1.149 249 Y CB -1.057 36.806 38.460 -0.995 0.000 0.976 249 Y HN 0.257 nan 8.280 nan 0.000 0.505 250 G N 0.354 109.169 108.800 0.025 0.000 2.446 250 G HA2 -0.289 3.668 3.960 -0.005 0.000 0.217 250 G HA3 -0.289 3.668 3.960 -0.005 0.000 0.217 250 G C 1.651 176.660 174.900 0.181 0.000 1.168 250 G CA 1.155 46.366 45.100 0.185 0.000 0.771 250 G HN 0.435 nan 8.290 nan 0.000 0.551 251 K N 0.283 120.773 120.400 0.151 0.000 2.063 251 K HA -0.081 4.236 4.320 -0.005 0.000 0.208 251 K C 2.162 178.915 176.600 0.256 0.000 1.048 251 K CA 1.434 57.840 56.287 0.198 0.000 0.928 251 K CB -0.116 32.502 32.500 0.195 0.000 0.713 251 K HN 0.156 nan 8.250 nan 0.000 0.442 252 D N -0.073 120.524 120.400 0.328 0.000 2.097 252 D HA -0.163 4.474 4.640 -0.005 0.000 0.197 252 D C 1.778 178.270 176.300 0.320 0.000 0.984 252 D CA 1.005 55.327 54.000 0.536 0.000 0.826 252 D CB -0.353 40.977 40.800 0.884 0.000 0.973 252 D HN 0.164 nan 8.370 nan 0.000 0.460 253 Y N 1.452 121.728 120.300 -0.040 0.000 2.145 253 Y HA -0.137 4.410 4.550 -0.005 0.000 0.286 253 Y C 2.168 177.981 175.900 -0.145 0.000 1.145 253 Y CA 1.351 59.238 58.100 -0.354 0.000 1.148 253 Y CB -0.450 37.416 38.460 -0.990 0.000 0.981 253 Y HN -0.094 nan 8.280 nan 0.000 0.507 254 L N 0.162 121.337 121.223 -0.080 0.000 2.141 254 L HA -0.187 4.149 4.340 -0.005 0.000 0.209 254 L C 2.548 179.434 176.870 0.026 0.000 1.094 254 L CA 1.777 56.614 54.840 -0.005 0.000 0.763 254 L CB -0.560 41.623 42.059 0.207 0.000 0.908 254 L HN 0.354 nan 8.230 nan 0.000 0.437 255 E N -0.206 120.032 120.200 0.063 0.000 2.072 255 E HA -0.279 4.067 4.350 -0.005 0.000 0.191 255 E C 2.110 178.676 176.600 -0.058 0.000 0.985 255 E CA 1.462 57.926 56.400 0.106 0.000 0.801 255 E CB -0.214 29.642 29.700 0.260 0.000 0.750 255 E HN 0.475 nan 8.360 nan 0.000 0.452 256 W N 0.299 121.267 121.300 -0.552 0.000 2.354 256 W HA -0.262 4.395 4.660 -0.005 0.000 0.315 256 W C 2.024 178.286 176.519 -0.430 0.000 1.206 256 W CA 1.897 58.749 57.345 -0.823 0.000 1.290 256 W CB -0.783 28.018 29.460 -1.098 0.000 1.152 256 W HN 0.169 nan 8.180 nan 0.000 0.489 257 Y N 1.427 121.429 120.300 -0.497 0.000 2.081 257 Y HA -0.376 4.171 4.550 -0.005 0.000 0.280 257 Y C 2.833 178.559 175.900 -0.290 0.000 1.163 257 Y CA 2.970 60.717 58.100 -0.588 0.000 1.135 257 Y CB -1.130 36.953 38.460 -0.629 0.000 0.970 257 Y HN 0.237 nan 8.280 nan 0.000 0.498 258 Q N -0.806 118.935 119.800 -0.099 0.000 2.123 258 Q HA -0.067 4.270 4.340 -0.005 0.000 0.199 258 Q C 2.445 178.372 176.000 -0.122 0.000 0.966 258 Q CA 1.221 56.998 55.803 -0.044 0.000 0.845 258 Q CB -0.556 28.224 28.738 0.070 0.000 0.907 258 Q HN 0.575 nan 8.270 nan 0.000 0.439 259 G N 1.718 110.413 108.800 -0.174 0.000 2.505 259 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.220 259 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.220 259 G C 1.353 176.112 174.900 -0.235 0.000 1.145 259 G CA 1.013 46.009 45.100 -0.175 0.000 0.761 259 G HN 0.350 nan 8.290 nan 0.000 0.571 260 I N 0.920 121.249 120.570 -0.403 0.000 2.208 260 I HA -0.132 4.035 4.170 -0.005 0.000 0.245 260 I C 2.851 178.832 176.117 -0.227 0.000 1.097 260 I CA 0.896 61.975 61.300 -0.368 0.000 1.363 260 I CB -1.210 36.490 38.000 -0.500 0.000 1.051 260 I HN 0.194 nan 8.210 nan 0.000 0.413 261 L N 0.130 121.225 121.223 -0.214 0.000 2.056 261 L HA -0.174 4.163 4.340 -0.005 0.000 0.207 261 L C 2.490 179.348 176.870 -0.020 0.000 1.078 261 L CA 1.202 55.973 54.840 -0.116 0.000 0.749 261 L CB -0.606 41.411 42.059 -0.069 0.000 0.901 261 L HN 0.264 nan 8.230 nan 0.000 0.433 262 E N 0.393 120.565 120.200 -0.046 0.000 2.110 262 E HA -0.209 4.137 4.350 -0.005 0.000 0.193 262 E C 1.842 178.408 176.600 -0.057 0.000 0.988 262 E CA 1.471 57.841 56.400 -0.050 0.000 0.804 262 E CB -0.191 29.449 29.700 -0.100 0.000 0.745 262 E HN 0.578 nan 8.360 nan 0.000 0.458 263 N N -0.351 118.318 118.700 -0.051 0.000 2.216 263 N HA -0.159 4.578 4.740 -0.005 0.000 0.183 263 N C 1.839 177.336 175.510 -0.021 0.000 1.017 263 N CA 0.649 53.679 53.050 -0.033 0.000 0.861 263 N CB -0.084 38.387 38.487 -0.026 0.000 0.986 263 N HN 0.135 nan 8.380 nan 0.000 0.428 264 H N 0.627 119.628 119.070 -0.115 0.000 2.353 264 H HA -0.019 4.534 4.556 -0.005 0.000 0.300 264 H C 1.728 176.994 175.328 -0.104 0.000 1.090 264 H CA 1.739 57.718 56.048 -0.114 0.000 1.327 264 H CB -0.330 29.355 29.762 -0.128 0.000 1.383 264 H HN 0.023 nan 8.280 nan 0.000 0.508 265 T N 0.617 115.079 114.554 -0.153 0.000 2.684 265 T HA -0.143 4.204 4.350 -0.005 0.000 0.267 265 T C 1.878 176.433 174.700 -0.242 0.000 1.036 265 T CA 1.766 63.694 62.100 -0.287 0.000 1.148 265 T CB -0.081 68.555 68.868 -0.386 0.000 0.863 265 T HN 0.397 nan 8.240 nan 0.000 0.436 266 K N 0.404 120.710 120.400 -0.156 0.000 2.097 266 K HA -0.004 4.313 4.320 -0.005 0.000 0.206 266 K C 2.214 178.768 176.600 -0.077 0.000 1.049 266 K CA 0.816 57.047 56.287 -0.094 0.000 0.933 266 K CB -0.348 32.119 32.500 -0.054 0.000 0.717 266 K HN 0.144 nan 8.250 nan 0.000 0.442 267 L N 1.939 123.098 121.223 -0.107 0.000 1.994 267 L HA -0.130 4.207 4.340 -0.005 0.000 0.208 267 L C 2.095 178.916 176.870 -0.082 0.000 1.071 267 L CA 1.476 56.260 54.840 -0.094 0.000 0.745 267 L CB -0.393 41.595 42.059 -0.118 0.000 0.892 267 L HN 0.230 nan 8.230 nan 0.000 0.431 268 I N -3.201 117.274 120.570 -0.159 0.000 2.493 268 I HA 0.029 4.196 4.170 -0.005 0.000 0.254 268 I C 2.233 178.367 176.117 0.029 0.000 1.160 268 I CA 1.187 62.488 61.300 0.002 0.000 1.445 268 I CB -1.425 36.562 38.000 -0.021 0.000 1.086 268 I HN 0.222 nan 8.210 nan 0.000 0.433 269 G N 2.343 111.111 108.800 -0.054 0.000 2.421 269 G HA2 -0.279 3.677 3.960 -0.005 0.000 0.216 269 G HA3 -0.279 3.677 3.960 -0.005 0.000 0.216 269 G C 1.574 176.531 174.900 0.094 0.000 1.171 269 G CA 1.037 46.123 45.100 -0.023 0.000 0.775 269 G HN 0.750 nan 8.290 nan 0.000 0.543 270 E N 0.322 120.577 120.200 0.092 0.000 2.106 270 E HA -0.006 4.341 4.350 -0.005 0.000 0.192 270 E C 2.422 179.088 176.600 0.111 0.000 0.984 270 E CA 0.482 56.953 56.400 0.118 0.000 0.806 270 E CB -0.491 29.246 29.700 0.062 0.000 0.750 270 E HN 0.411 nan 8.360 nan 0.000 0.458 271 L N 0.972 122.261 121.223 0.110 0.000 2.012 271 L HA -0.195 4.141 4.340 -0.005 0.000 0.210 271 L C 2.815 179.797 176.870 0.186 0.000 1.073 271 L CA 1.413 56.352 54.840 0.165 0.000 0.748 271 L CB -0.556 41.641 42.059 0.231 0.000 0.891 271 L HN 0.318 nan 8.230 nan 0.000 0.431 272 A N -1.333 121.556 122.820 0.116 0.000 1.897 272 A HA -0.199 4.117 4.320 -0.005 0.000 0.215 272 A C 2.114 179.690 177.584 -0.013 0.000 1.181 272 A CA 1.127 53.115 52.037 -0.081 0.000 0.620 272 A CB -0.693 18.152 19.000 -0.257 0.000 0.821 272 A HN 0.399 nan 8.150 nan 0.000 0.443 273 H N 0.366 119.475 119.070 0.065 0.000 2.353 273 H HA -0.085 4.467 4.556 -0.006 0.000 0.300 273 H C 1.826 177.175 175.328 0.035 0.000 1.090 273 H CA 1.711 57.798 56.048 0.066 0.000 1.327 273 H CB -0.178 29.606 29.762 0.037 0.000 1.383 273 H HN 0.427 nan 8.280 nan 0.000 0.508 274 N N 0.596 119.367 118.700 0.117 0.000 2.166 274 N HA -0.081 4.655 4.740 -0.005 0.000 0.186 274 N C 1.968 177.453 175.510 -0.041 0.000 1.019 274 N CA 1.169 54.243 53.050 0.040 0.000 0.856 274 N CB -0.285 38.218 38.487 0.027 0.000 0.993 274 N HN 0.324 nan 8.380 nan 0.000 0.426 275 A N -0.951 121.771 122.820 -0.162 0.000 2.016 275 A HA 0.133 4.450 4.320 -0.005 0.000 0.217 275 A C 1.407 178.702 177.584 -0.481 0.000 1.162 275 A CA 0.666 52.453 52.037 -0.417 0.000 0.662 275 A CB -0.278 18.310 19.000 -0.688 0.000 0.812 275 A HN 0.267 nan 8.150 nan 0.000 0.450 276 F N -1.348 118.672 119.950 0.118 0.000 2.740 276 F HA 0.118 4.642 4.527 -0.005 0.000 0.304 276 F C 1.569 177.488 175.800 0.197 0.000 1.098 276 F CA -0.215 57.925 58.000 0.234 0.000 1.258 276 F CB 0.245 39.343 39.000 0.163 0.000 1.061 276 F HN 0.014 nan 8.300 nan 0.000 0.598 277 D N 0.710 121.279 120.400 0.282 0.000 2.106 277 D HA -0.163 4.474 4.640 -0.005 0.000 0.191 277 D C 2.163 178.533 176.300 0.118 0.000 0.997 277 D CA 2.156 56.280 54.000 0.206 0.000 0.834 277 D CB -0.680 40.222 40.800 0.171 0.000 0.956 277 D HN 0.112 nan 8.370 nan 0.000 0.448 278 T N -0.051 114.538 114.554 0.058 0.000 2.652 278 T HA -0.154 4.192 4.350 -0.005 0.000 0.267 278 T C 2.111 176.772 174.700 -0.064 0.000 1.039 278 T CA 2.565 64.661 62.100 -0.006 0.000 1.153 278 T CB -0.624 68.225 68.868 -0.031 0.000 0.863 278 T HN 0.384 nan 8.240 nan 0.000 0.428 279 T N -0.471 113.996 114.554 -0.145 0.000 2.978 279 T HA 0.118 4.464 4.350 -0.005 0.000 0.262 279 T C 1.682 176.089 174.700 -0.489 0.000 1.063 279 T CA 0.613 62.483 62.100 -0.385 0.000 1.140 279 T CB -0.492 67.993 68.868 -0.638 0.000 0.886 279 T HN 0.389 nan 8.240 nan 0.000 0.470 280 F N 1.083 121.077 119.950 0.074 0.000 2.453 280 F HA 0.364 4.887 4.527 -0.007 0.000 0.284 280 F C 1.146 176.970 175.800 0.040 0.000 1.065 280 F CA -0.542 57.491 58.000 0.054 0.000 1.411 280 F CB -0.316 38.720 39.000 0.059 0.000 1.131 280 F HN -0.003 nan 8.300 nan 0.000 0.582 281 Q N 0.913 120.842 119.800 0.215 0.000 2.451 281 Q HA -0.154 4.182 4.340 -0.005 0.000 0.305 281 Q C -0.755 175.319 176.000 0.122 0.000 1.345 281 Q CA 0.327 56.212 55.803 0.138 0.000 0.854 281 Q CB -1.935 26.852 28.738 0.081 0.000 1.162 281 Q HN 0.363 nan 8.270 nan 0.000 0.440 282 V N -4.546 115.443 119.914 0.125 0.000 3.046 282 V HA 0.865 4.982 4.120 -0.005 0.000 0.316 282 V C -2.388 173.710 176.094 0.007 0.000 1.104 282 V CA -2.628 59.700 62.300 0.048 0.000 1.006 282 V CB 1.681 33.504 31.823 -0.001 0.000 1.058 282 V HN -0.068 nan 8.190 nan 0.000 0.440 283 P HA 0.511 nan 4.420 nan 0.000 0.271 283 P C -0.863 176.340 177.300 -0.162 0.000 1.216 283 P CA 0.079 63.144 63.100 -0.058 0.000 0.776 283 P CB 0.380 32.037 31.700 -0.072 0.000 0.881 284 I N 1.588 122.072 120.570 -0.143 0.000 2.465 284 I HA 0.644 4.811 4.170 -0.005 0.000 0.291 284 I C 0.644 176.648 176.117 -0.189 0.000 1.014 284 I CA -0.360 60.788 61.300 -0.254 0.000 1.093 284 I CB 2.248 40.042 38.000 -0.345 0.000 1.267 284 I HN 0.398 nan 8.210 nan 0.000 0.431 285 G N 3.573 112.228 108.800 -0.241 0.000 2.733 285 G HA2 0.881 4.838 3.960 -0.005 0.000 0.288 285 G HA3 0.881 4.838 3.960 -0.005 0.000 0.288 285 G C -1.831 173.171 174.900 0.169 0.000 1.373 285 G CA -0.662 44.411 45.100 -0.046 0.000 0.895 285 G HN 0.789 nan 8.290 nan 0.000 0.479 286 A N -0.134 122.897 122.820 0.350 0.000 2.556 286 A HA 0.843 5.159 4.320 -0.005 0.000 0.294 286 A C -0.716 177.130 177.584 0.437 0.000 1.091 286 A CA -0.772 51.494 52.037 0.382 0.000 0.704 286 A CB 1.682 20.848 19.000 0.277 0.000 1.300 286 A HN 0.558 nan 8.150 nan 0.000 0.406 287 K N 0.999 121.572 120.400 0.289 0.000 2.164 287 K HA 0.614 4.931 4.320 -0.005 0.000 0.258 287 K C -1.148 175.600 176.600 0.246 0.000 0.951 287 K CA -0.596 55.811 56.287 0.200 0.000 0.844 287 K CB 1.634 34.154 32.500 0.034 0.000 1.099 287 K HN 0.432 nan 8.250 nan 0.000 0.435 288 I N 2.380 123.076 120.570 0.211 0.000 2.378 288 I HA 0.235 4.401 4.170 -0.005 0.000 0.291 288 I C 0.343 176.597 176.117 0.228 0.000 0.992 288 I CA -0.763 60.681 61.300 0.241 0.000 1.154 288 I CB 1.253 39.331 38.000 0.131 0.000 1.315 288 I HN 0.733 nan 8.210 nan 0.000 0.448 289 A N 4.708 127.752 122.820 0.372 0.000 2.407 289 A HA 0.535 4.852 4.320 -0.005 0.000 0.248 289 A C 0.756 178.474 177.584 0.223 0.000 1.082 289 A CA -0.156 52.057 52.037 0.293 0.000 0.785 289 A CB 0.160 19.402 19.000 0.403 0.000 1.020 289 A HN 0.902 nan 8.150 nan 0.000 0.489 290 G N 1.024 109.804 108.800 -0.034 0.000 2.857 290 G HA2 0.458 4.415 3.960 -0.005 0.000 0.326 290 G HA3 0.458 4.415 3.960 -0.005 0.000 0.326 290 G C -0.335 174.653 174.900 0.148 0.000 0.950 290 G CA -0.224 44.829 45.100 -0.078 0.000 1.400 290 G HN 0.658 nan 8.290 nan 0.000 0.473 291 V N 3.764 123.747 119.914 0.116 0.000 2.162 291 V HA 0.072 4.188 4.120 -0.005 0.000 0.255 291 V C 1.257 177.211 176.094 -0.233 0.000 1.304 291 V CA -0.318 61.736 62.300 -0.410 0.000 1.198 291 V CB -1.065 30.523 31.823 -0.391 0.000 1.333 291 V HN 0.947 nan 8.190 nan 0.000 0.493 292 H N 0.770 119.862 119.070 0.038 0.000 2.529 292 H HA 0.033 4.586 4.556 -0.005 0.000 0.277 292 H C 0.744 176.280 175.328 0.347 0.000 0.999 292 H CA -0.231 55.948 56.048 0.219 0.000 1.256 292 H CB -0.166 29.725 29.762 0.215 0.000 1.402 292 H HN 0.649 nan 8.280 nan 0.000 0.566 293 W N 0.586 121.853 121.300 -0.055 0.000 2.237 293 W HA 0.387 5.043 4.660 -0.006 0.000 0.335 293 W C 0.008 176.601 176.519 0.124 0.000 1.230 293 W CA -1.072 56.322 57.345 0.082 0.000 1.253 293 W CB 0.903 30.348 29.460 -0.025 0.000 1.129 293 W HN -0.005 nan 8.180 nan 0.000 0.590 294 Q N 0.318 120.319 119.800 0.334 0.000 2.481 294 Q HA -0.348 3.989 4.340 -0.005 0.000 0.258 294 Q C 0.510 176.562 176.000 0.087 0.000 0.961 294 Q CA 1.661 57.570 55.803 0.177 0.000 1.121 294 Q CB -2.793 25.985 28.738 0.068 0.000 1.503 294 Q HN 0.932 nan 8.270 nan 0.000 0.544 295 Y N 2.238 122.587 120.300 0.081 0.000 2.109 295 Y HA -0.140 4.407 4.550 -0.005 0.000 0.285 295 Y C 1.667 177.449 175.900 -0.197 0.000 1.131 295 Y CA 2.280 60.404 58.100 0.040 0.000 1.121 295 Y CB 0.134 38.711 38.460 0.195 0.000 0.987 295 Y HN 0.428 nan 8.280 nan 0.000 0.495 296 N N 0.441 119.245 118.700 0.172 0.000 2.453 296 N HA -0.013 4.723 4.740 -0.005 0.000 0.270 296 N C -1.052 174.318 175.510 -0.233 0.000 1.195 296 N CA -0.093 52.962 53.050 0.007 0.000 0.902 296 N CB -0.861 37.777 38.487 0.251 0.000 1.186 296 N HN 0.255 nan 8.380 nan 0.000 0.510 297 N N 1.841 120.238 118.700 -0.505 0.000 2.442 297 N HA 0.160 4.897 4.740 -0.005 0.000 0.265 297 N C -1.680 173.529 175.510 -0.502 0.000 1.138 297 N CA -1.322 51.141 53.050 -0.978 0.000 0.956 297 N CB 1.648 39.715 38.487 -0.700 0.000 1.067 297 N HN -0.004 nan 8.380 nan 0.000 0.474 298 P HA -0.107 nan 4.420 nan 0.000 0.215 298 P C 1.143 178.369 177.300 -0.122 0.000 1.153 298 P CA 1.804 64.799 63.100 -0.175 0.000 0.853 298 P CB 0.146 31.792 31.700 -0.091 0.000 0.788 299 T N -2.333 112.147 114.554 -0.123 0.000 2.894 299 T HA 0.012 4.359 4.350 -0.005 0.000 0.258 299 T C 1.090 175.756 174.700 -0.057 0.000 1.043 299 T CA 0.526 62.592 62.100 -0.056 0.000 1.141 299 T CB -0.850 68.005 68.868 -0.022 0.000 0.873 299 T HN 0.172 nan 8.240 nan 0.000 0.449 300 I N 0.362 120.864 120.570 -0.114 0.000 2.697 300 I HA 0.477 4.644 4.170 -0.005 0.000 0.279 300 I C -3.007 172.986 176.117 -0.207 0.000 1.171 300 I CA -2.985 58.245 61.300 -0.117 0.000 1.135 300 I CB 1.253 39.213 38.000 -0.067 0.000 1.445 300 I HN -0.165 nan 8.210 nan 0.000 0.541 301 P HA -0.044 nan 4.420 nan 0.000 0.264 301 P C -0.155 176.924 177.300 -0.368 0.000 1.193 301 P CA 0.720 63.583 63.100 -0.395 0.000 0.763 301 P CB 0.180 31.679 31.700 -0.336 0.000 0.810 302 H N 1.327 120.256 119.070 -0.235 0.000 2.741 302 H HA -0.154 4.399 4.556 -0.005 0.000 0.305 302 H C 1.566 176.788 175.328 -0.177 0.000 1.169 302 H CA 1.012 56.936 56.048 -0.207 0.000 1.144 302 H CB -2.254 27.372 29.762 -0.227 0.000 1.397 302 H HN 0.737 nan 8.280 nan 0.000 0.409 303 G N -0.475 108.261 108.800 -0.108 0.000 2.535 303 G HA2 0.048 4.005 3.960 -0.005 0.000 0.218 303 G HA3 0.048 4.005 3.960 -0.005 0.000 0.218 303 G C 1.511 176.338 174.900 -0.121 0.000 1.122 303 G CA 0.901 45.941 45.100 -0.100 0.000 0.769 303 G HN 0.610 nan 8.290 nan 0.000 0.549 304 A N 0.216 122.932 122.820 -0.173 0.000 1.993 304 A HA 0.342 4.659 4.320 -0.005 0.000 0.207 304 A C 1.971 179.380 177.584 -0.291 0.000 1.224 304 A CA 1.043 52.887 52.037 -0.321 0.000 0.749 304 A CB 0.120 18.631 19.000 -0.816 0.000 0.884 304 A HN 0.305 nan 8.150 nan 0.000 0.467 305 E N 0.694 120.790 120.200 -0.173 0.000 2.028 305 E HA -0.165 4.182 4.350 -0.005 0.000 0.191 305 E C 1.882 178.450 176.600 -0.053 0.000 0.988 305 E CA 1.473 57.845 56.400 -0.047 0.000 0.799 305 E CB -0.143 29.632 29.700 0.125 0.000 0.755 305 E HN 0.508 nan 8.360 nan 0.000 0.447 306 K N 0.078 120.464 120.400 -0.024 0.000 2.020 306 K HA -0.170 4.147 4.320 -0.005 0.000 0.212 306 K C -0.706 175.922 176.600 0.047 0.000 1.050 306 K CA 1.758 58.080 56.287 0.060 0.000 0.929 306 K CB -1.047 31.524 32.500 0.118 0.000 0.714 306 K HN 0.106 nan 8.250 nan 0.000 0.443 307 P HA -0.119 nan 4.420 nan 0.000 0.220 307 P C 0.712 178.001 177.300 -0.018 0.000 1.148 307 P CA 1.316 64.084 63.100 -0.554 0.000 0.803 307 P CB 0.066 31.352 31.700 -0.690 0.000 0.782 308 A N -1.080 121.705 122.820 -0.059 0.000 2.167 308 A HA 0.336 4.653 4.320 -0.005 0.000 0.214 308 A C 1.788 179.301 177.584 -0.118 0.000 1.151 308 A CA 1.315 53.287 52.037 -0.107 0.000 0.735 308 A CB -1.115 17.726 19.000 -0.265 0.000 0.802 308 A HN 0.271 nan 8.150 nan 0.000 0.467 309 G N -2.905 105.910 108.800 0.024 0.000 2.211 309 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.201 309 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.201 309 G C -0.239 174.769 174.900 0.180 0.000 0.997 309 G CA -0.006 45.158 45.100 0.107 0.000 0.652 309 G HN 0.323 nan 8.290 nan 0.000 0.500 310 Y N 1.976 122.300 120.300 0.039 0.000 2.676 310 Y HA 0.480 5.028 4.550 -0.005 0.000 0.338 310 Y C 1.087 176.817 175.900 -0.283 0.000 1.057 310 Y CA -1.462 56.522 58.100 -0.193 0.000 1.314 310 Y CB 0.217 38.524 38.460 -0.256 0.000 1.164 310 Y HN 0.297 nan 8.280 nan 0.000 0.509 311 N N 1.031 119.706 118.700 -0.042 0.000 2.407 311 N HA -0.069 4.668 4.740 -0.005 0.000 0.182 311 N C -0.836 174.592 175.510 -0.137 0.000 1.079 311 N CA 0.432 53.448 53.050 -0.056 0.000 0.882 311 N CB 0.700 39.239 38.487 0.087 0.000 1.106 311 N HN 0.461 nan 8.380 nan 0.000 0.461 312 D N -0.379 119.940 120.400 -0.134 0.000 2.386 312 D HA 0.119 4.755 4.640 -0.005 0.000 0.247 312 D C -0.027 176.239 176.300 -0.057 0.000 1.336 312 D CA -0.520 53.443 54.000 -0.061 0.000 0.976 312 D CB 0.304 41.151 40.800 0.078 0.000 1.257 312 D HN 0.019 nan 8.370 nan 0.000 0.570 313 Y N 1.558 121.869 120.300 0.019 0.000 2.242 313 Y HA -0.163 4.384 4.550 -0.005 0.000 0.291 313 Y C 2.603 178.495 175.900 -0.014 0.000 1.137 313 Y CA 1.185 59.258 58.100 -0.044 0.000 1.181 313 Y CB 0.093 38.486 38.460 -0.111 0.000 0.989 313 Y HN 0.362 nan 8.280 nan 0.000 0.527 314 S N -0.654 115.152 115.700 0.176 0.000 2.353 314 S HA -0.296 4.171 4.470 -0.005 0.000 0.222 314 S C 1.996 176.704 174.600 0.179 0.000 1.035 314 S CA 1.771 60.051 58.200 0.134 0.000 1.025 314 S CB -0.502 62.764 63.200 0.110 0.000 0.902 314 S HN 0.549 nan 8.310 nan 0.000 0.440 315 H N 0.675 119.787 119.070 0.070 0.000 2.352 315 H HA 0.004 4.557 4.556 -0.006 0.000 0.299 315 H C 1.950 177.336 175.328 0.097 0.000 1.097 315 H CA 1.784 57.878 56.048 0.076 0.000 1.311 315 H CB -0.692 29.112 29.762 0.070 0.000 1.377 315 H HN 0.380 nan 8.280 nan 0.000 0.504 316 L N -0.123 121.178 121.223 0.129 0.000 2.056 316 L HA -0.078 4.259 4.340 -0.005 0.000 0.207 316 L C 2.130 179.109 176.870 0.182 0.000 1.078 316 L CA 1.335 56.240 54.840 0.110 0.000 0.749 316 L CB -0.510 41.613 42.059 0.108 0.000 0.901 316 L HN 0.297 nan 8.230 nan 0.000 0.433 317 L N -0.795 120.493 121.223 0.108 0.000 2.201 317 L HA -0.160 4.176 4.340 -0.005 0.000 0.212 317 L C 1.956 178.924 176.870 0.162 0.000 1.105 317 L CA 0.714 55.594 54.840 0.066 0.000 0.775 317 L CB -0.742 41.296 42.059 -0.035 0.000 0.913 317 L HN 0.280 nan 8.230 nan 0.000 0.440 318 D N 0.390 120.874 120.400 0.140 0.000 2.218 318 D HA -0.132 4.505 4.640 -0.005 0.000 0.204 318 D C 2.191 178.562 176.300 0.119 0.000 0.976 318 D CA 1.319 55.394 54.000 0.124 0.000 0.853 318 D CB 0.171 41.051 40.800 0.133 0.000 0.939 318 D HN 0.309 nan 8.370 nan 0.000 0.481 319 A N -0.163 122.736 122.820 0.131 0.000 1.968 319 A HA -0.100 4.216 4.320 -0.005 0.000 0.217 319 A C 1.865 179.495 177.584 0.077 0.000 1.169 319 A CA 0.675 52.756 52.037 0.073 0.000 0.638 319 A CB -0.668 18.350 19.000 0.029 0.000 0.812 319 A HN 0.105 nan 8.150 nan 0.000 0.446 320 F N 0.045 120.006 119.950 0.018 0.000 2.206 320 F HA -0.015 4.508 4.527 -0.006 0.000 0.298 320 F C 2.214 178.035 175.800 0.035 0.000 1.090 320 F CA 1.626 59.646 58.000 0.032 0.000 1.323 320 F CB -0.189 38.832 39.000 0.035 0.000 1.028 320 F HN 0.123 nan 8.300 nan 0.000 0.492 321 K N 0.948 121.476 120.400 0.212 0.000 2.002 321 K HA -0.155 4.161 4.320 -0.005 0.000 0.209 321 K C 2.281 178.928 176.600 0.078 0.000 1.048 321 K CA 2.070 58.431 56.287 0.123 0.000 0.930 321 K CB -0.743 31.815 32.500 0.097 0.000 0.714 321 K HN 0.208 nan 8.250 nan 0.000 0.438 322 S N -0.235 115.503 115.700 0.063 0.000 2.402 322 S HA -0.051 4.415 4.470 -0.005 0.000 0.229 322 S C 2.108 176.719 174.600 0.019 0.000 1.021 322 S CA 0.920 59.140 58.200 0.032 0.000 0.974 322 S CB -0.485 62.732 63.200 0.027 0.000 0.800 322 S HN 0.340 nan 8.310 nan 0.000 0.484 323 A N 1.282 124.111 122.820 0.015 0.000 2.206 323 A HA 0.258 4.575 4.320 -0.005 0.000 0.211 323 A C 0.961 178.602 177.584 0.096 0.000 1.158 323 A CA 0.450 52.494 52.037 0.012 0.000 0.761 323 A CB -0.650 18.296 19.000 -0.090 0.000 0.801 323 A HN 0.543 nan 8.150 nan 0.000 0.473 324 K N -1.486 118.966 120.400 0.087 0.000 3.125 324 K HA -0.145 4.172 4.320 -0.005 0.000 0.268 324 K C -0.927 175.828 176.600 0.259 0.000 1.078 324 K CA 0.601 56.962 56.287 0.123 0.000 0.775 324 K CB -1.942 30.523 32.500 -0.060 0.000 1.253 324 K HN 0.524 nan 8.250 nan 0.000 0.486 325 L N 0.450 121.775 121.223 0.169 0.000 2.346 325 L HA 0.399 4.736 4.340 -0.005 0.000 0.274 325 L C 0.229 177.232 176.870 0.221 0.000 1.007 325 L CA -1.175 53.751 54.840 0.144 0.000 0.818 325 L CB 1.468 43.540 42.059 0.021 0.000 1.284 325 L HN -0.019 nan 8.230 nan 0.000 0.424 326 D N 1.286 121.781 120.400 0.158 0.000 2.302 326 D HA 0.268 4.905 4.640 -0.005 0.000 0.248 326 D C -0.493 175.949 176.300 0.237 0.000 1.094 326 D CA -0.045 54.043 54.000 0.145 0.000 0.897 326 D CB 2.403 43.233 40.800 0.050 0.000 1.200 326 D HN 0.051 nan 8.370 nan 0.000 0.429 327 V N 2.083 122.092 119.914 0.159 0.000 2.481 327 V HA 0.456 4.572 4.120 -0.005 0.000 0.286 327 V C -0.415 175.761 176.094 0.138 0.000 1.042 327 V CA 0.015 62.364 62.300 0.081 0.000 0.928 327 V CB 1.675 33.351 31.823 -0.244 0.000 0.986 327 V HN 0.542 nan 8.190 nan 0.000 0.462 328 T N 7.534 122.213 114.554 0.210 0.000 2.824 328 T HA 0.558 4.904 4.350 -0.005 0.000 0.282 328 T C -1.176 173.691 174.700 0.278 0.000 0.993 328 T CA -0.044 62.217 62.100 0.268 0.000 0.967 328 T CB 1.074 70.112 68.868 0.283 0.000 0.960 328 T HN 0.533 nan 8.240 nan 0.000 0.441 329 F N 1.568 121.609 119.950 0.152 0.000 2.561 329 F HA 0.716 5.239 4.527 -0.006 0.000 0.321 329 F C 0.366 176.256 175.800 0.150 0.000 1.065 329 F CA -0.454 57.617 58.000 0.119 0.000 0.934 329 F CB 2.205 41.265 39.000 0.101 0.000 1.215 329 F HN 0.521 nan 8.300 nan 0.000 0.471 330 T N 0.883 115.094 114.554 -0.572 0.000 2.804 330 T HA 0.415 4.761 4.350 -0.005 0.000 0.272 330 T C -0.136 174.377 174.700 -0.312 0.000 0.986 330 T CA 0.248 62.170 62.100 -0.298 0.000 0.999 330 T CB 0.807 69.550 68.868 -0.208 0.000 1.307 330 T HN 0.912 nan 8.240 nan 0.000 0.586 331 C N 0.417 119.642 119.300 -0.126 0.000 4.552 331 C HA -0.101 4.356 4.460 -0.005 0.000 0.268 331 C C 1.941 176.898 174.990 -0.055 0.000 1.288 331 C CA 0.251 59.216 59.018 -0.088 0.000 1.776 331 C CB -2.922 24.752 27.740 -0.110 0.000 1.415 331 C HN 0.812 nan 8.230 nan 0.000 0.729 332 L N 1.304 122.514 121.223 -0.022 0.000 2.349 332 L HA -0.134 4.203 4.340 -0.005 0.000 0.220 332 L C 2.549 179.355 176.870 -0.107 0.000 1.130 332 L CA 2.246 57.033 54.840 -0.088 0.000 0.791 332 L CB -0.429 41.536 42.059 -0.157 0.000 0.918 332 L HN 0.714 nan 8.230 nan 0.000 0.444 333 E N 0.197 120.367 120.200 -0.051 0.000 2.479 333 E HA 0.006 4.353 4.350 -0.005 0.000 0.193 333 E C 0.701 177.259 176.600 -0.070 0.000 1.049 333 E CA 0.015 56.383 56.400 -0.053 0.000 0.870 333 E CB 0.185 29.890 29.700 0.009 0.000 0.944 333 E HN 0.396 nan 8.360 nan 0.000 0.492 334 M N 1.304 120.848 119.600 -0.093 0.000 2.444 334 M HA 0.277 4.754 4.480 -0.005 0.000 0.319 334 M C 0.116 176.355 176.300 -0.102 0.000 1.183 334 M CA -0.459 54.770 55.300 -0.118 0.000 1.032 334 M CB 1.803 34.282 32.600 -0.201 0.000 1.569 334 M HN -0.099 nan 8.290 nan 0.000 0.468 335 T N -2.673 111.828 114.554 -0.088 0.000 2.932 335 T HA 0.442 4.788 4.350 -0.005 0.000 0.289 335 T C -0.663 174.005 174.700 -0.054 0.000 1.039 335 T CA -1.192 60.873 62.100 -0.058 0.000 1.024 335 T CB 1.251 70.099 68.868 -0.034 0.000 1.090 335 T HN 0.415 nan 8.240 nan 0.000 0.496 336 D N 0.810 121.190 120.400 -0.033 0.000 2.372 336 D HA 0.375 5.011 4.640 -0.005 0.000 0.243 336 D C 0.416 176.724 176.300 0.013 0.000 1.121 336 D CA -0.225 53.766 54.000 -0.015 0.000 0.898 336 D CB 1.667 42.463 40.800 -0.007 0.000 1.202 336 D HN 0.523 nan 8.370 nan 0.000 0.428 337 K N -0.370 120.054 120.400 0.039 0.000 2.509 337 K HA 0.256 4.573 4.320 -0.005 0.000 0.205 337 K C 0.929 177.568 176.600 0.066 0.000 1.336 337 K CA 0.419 56.734 56.287 0.047 0.000 0.912 337 K CB -0.166 32.366 32.500 0.053 0.000 1.568 337 K HN 0.513 nan 8.250 nan 0.000 0.475 338 G N 1.805 110.670 108.800 0.108 0.000 2.283 338 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.280 338 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.280 338 G C -0.194 174.774 174.900 0.113 0.000 1.029 338 G CA 0.782 45.983 45.100 0.169 0.000 0.840 338 G HN 0.415 nan 8.290 nan 0.000 0.505 339 S N -1.310 114.366 115.700 -0.041 0.000 2.566 339 S HA 0.664 5.131 4.470 -0.005 0.000 0.298 339 S C -0.264 174.021 174.600 -0.524 0.000 1.083 339 S CA -1.060 57.038 58.200 -0.169 0.000 0.978 339 S CB 2.154 65.321 63.200 -0.054 0.000 1.073 339 S HN 1.105 nan 8.310 nan 0.000 0.491 340 Y N 3.596 123.463 120.300 -0.722 0.000 2.702 340 Y HA 0.268 4.815 4.550 -0.005 0.000 0.336 340 Y C -1.355 174.327 175.900 -0.363 0.000 1.235 340 Y CA -0.753 56.901 58.100 -0.744 0.000 1.492 340 Y CB 0.712 38.996 38.460 -0.295 0.000 1.308 340 Y HN 0.580 nan 8.280 nan 0.000 0.589 341 P HA 0.080 nan 4.420 nan 0.000 0.261 341 P C -0.002 176.953 177.300 -0.576 0.000 1.268 341 P CA 0.640 62.983 63.100 -1.260 0.000 0.833 341 P CB 0.567 31.532 31.700 -1.224 0.000 1.231 342 E N -0.448 119.486 120.200 -0.445 0.000 2.086 342 E HA -0.044 4.303 4.350 -0.005 0.000 0.190 342 E C -0.128 176.521 176.600 0.081 0.000 0.975 342 E CA 0.345 56.625 56.400 -0.199 0.000 0.813 342 E CB -0.877 28.732 29.700 -0.152 0.000 0.768 342 E HN 0.134 nan 8.360 nan 0.000 0.457 343 Y N 0.498 120.837 120.300 0.065 0.000 3.234 343 Y HA -0.253 4.294 4.550 -0.006 0.000 0.207 343 Y C -0.023 176.009 175.900 0.220 0.000 1.316 343 Y CA 0.316 58.495 58.100 0.131 0.000 1.309 343 Y CB -2.019 36.505 38.460 0.106 0.000 1.408 343 Y HN -0.070 nan 8.280 nan 0.000 0.544 344 S N 1.659 117.545 115.700 0.311 0.000 2.416 344 S HA 0.536 5.003 4.470 -0.005 0.000 0.287 344 S C 0.300 175.040 174.600 0.233 0.000 1.139 344 S CA -0.680 57.760 58.200 0.400 0.000 1.058 344 S CB 0.158 63.643 63.200 0.474 0.000 0.967 344 S HN 0.308 nan 8.310 nan 0.000 0.495 345 M N 7.392 127.078 119.600 0.144 0.000 2.854 345 M HA 0.289 4.766 4.480 -0.005 0.000 0.203 345 M C -2.321 173.863 176.300 -0.193 0.000 1.069 345 M CA -2.191 53.038 55.300 -0.118 0.000 0.803 345 M CB 0.387 32.757 32.600 -0.385 0.000 1.380 345 M HN 0.326 nan 8.290 nan 0.000 0.494 346 P HA -0.121 nan 4.420 nan 0.000 0.214 346 P C 1.551 178.800 177.300 -0.086 0.000 1.162 346 P CA 1.358 64.388 63.100 -0.117 0.000 0.879 346 P CB 0.326 31.851 31.700 -0.292 0.000 0.786 347 K N -0.843 119.497 120.400 -0.099 0.000 2.057 347 K HA -0.105 4.211 4.320 -0.005 0.000 0.207 347 K C 1.847 178.387 176.600 -0.100 0.000 1.049 347 K CA 1.763 57.997 56.287 -0.088 0.000 0.931 347 K CB -0.567 31.892 32.500 -0.068 0.000 0.714 347 K HN 0.028 nan 8.250 nan 0.000 0.440 348 T N 1.857 116.338 114.554 -0.122 0.000 2.788 348 T HA -0.116 4.231 4.350 -0.005 0.000 0.268 348 T C 1.689 176.314 174.700 -0.124 0.000 1.044 348 T CA 0.875 62.908 62.100 -0.112 0.000 1.139 348 T CB -0.067 68.721 68.868 -0.133 0.000 0.867 348 T HN 0.174 nan 8.240 nan 0.000 0.454 349 L N 0.848 121.966 121.223 -0.174 0.000 1.976 349 L HA -0.133 4.204 4.340 -0.005 0.000 0.209 349 L C 2.585 179.377 176.870 -0.129 0.000 1.071 349 L CA 1.445 56.236 54.840 -0.081 0.000 0.746 349 L CB -0.490 41.622 42.059 0.088 0.000 0.890 349 L HN 0.144 nan 8.230 nan 0.000 0.432 350 V N -0.220 119.706 119.914 0.019 0.000 2.282 350 V HA -0.374 3.743 4.120 -0.005 0.000 0.249 350 V C 2.445 178.421 176.094 -0.197 0.000 1.057 350 V CA 2.045 64.344 62.300 -0.001 0.000 1.032 350 V CB -0.738 31.146 31.823 0.101 0.000 0.645 350 V HN 0.550 nan 8.190 nan 0.000 0.447 351 Q N -0.099 119.564 119.800 -0.229 0.000 2.096 351 Q HA -0.227 4.110 4.340 -0.005 0.000 0.204 351 Q C 2.215 178.168 176.000 -0.077 0.000 0.982 351 Q CA 1.759 57.418 55.803 -0.240 0.000 0.850 351 Q CB -0.306 28.360 28.738 -0.120 0.000 0.901 351 Q HN 0.661 nan 8.270 nan 0.000 0.422 352 N N 0.347 118.982 118.700 -0.108 0.000 2.171 352 N HA -0.094 4.643 4.740 -0.005 0.000 0.184 352 N C 1.736 177.120 175.510 -0.210 0.000 1.021 352 N CA 0.915 53.908 53.050 -0.096 0.000 0.854 352 N CB -0.131 38.322 38.487 -0.056 0.000 0.994 352 N HN 0.174 nan 8.380 nan 0.000 0.426 353 I N 1.509 121.823 120.570 -0.427 0.000 2.142 353 I HA -0.141 4.026 4.170 -0.005 0.000 0.240 353 I C 2.331 178.229 176.117 -0.365 0.000 1.078 353 I CA 0.727 61.674 61.300 -0.589 0.000 1.343 353 I CB -1.543 35.727 38.000 -1.216 0.000 1.046 353 I HN 0.010 nan 8.210 nan 0.000 0.405 354 A N 0.411 123.070 122.820 -0.270 0.000 1.908 354 A HA -0.231 4.086 4.320 -0.005 0.000 0.218 354 A C 2.445 179.998 177.584 -0.052 0.000 1.181 354 A CA 2.610 54.557 52.037 -0.149 0.000 0.627 354 A CB -1.170 17.855 19.000 0.043 0.000 0.818 354 A HN 0.431 nan 8.150 nan 0.000 0.445 355 T N 0.424 114.991 114.554 0.021 0.000 2.708 355 T HA -0.112 4.235 4.350 -0.005 0.000 0.266 355 T C 1.836 176.529 174.700 -0.011 0.000 1.037 355 T CA 1.518 63.647 62.100 0.047 0.000 1.146 355 T CB -0.410 68.505 68.868 0.080 0.000 0.865 355 T HN 0.374 nan 8.240 nan 0.000 0.435 356 L N 0.679 121.872 121.223 -0.051 0.000 1.989 356 L HA -0.139 4.198 4.340 -0.005 0.000 0.211 356 L C 3.092 179.926 176.870 -0.059 0.000 1.071 356 L CA 1.413 56.225 54.840 -0.047 0.000 0.749 356 L CB -0.776 41.244 42.059 -0.065 0.000 0.890 356 L HN 0.253 nan 8.230 nan 0.000 0.431 357 A N 0.264 123.017 122.820 -0.112 0.000 1.892 357 A HA -0.251 4.065 4.320 -0.005 0.000 0.218 357 A C 2.073 179.612 177.584 -0.074 0.000 1.188 357 A CA 2.154 54.123 52.037 -0.114 0.000 0.631 357 A CB -0.705 18.184 19.000 -0.184 0.000 0.822 357 A HN 0.477 nan 8.150 nan 0.000 0.447 358 N N 0.230 118.887 118.700 -0.072 0.000 2.120 358 N HA -0.185 4.551 4.740 -0.005 0.000 0.188 358 N C 1.745 177.245 175.510 -0.015 0.000 1.024 358 N CA 1.758 54.783 53.050 -0.043 0.000 0.852 358 N CB -0.477 37.992 38.487 -0.031 0.000 1.003 358 N HN 0.877 nan 8.380 nan 0.000 0.424 359 E N 0.899 121.095 120.200 -0.007 0.000 2.274 359 E HA -0.085 4.261 4.350 -0.005 0.000 0.194 359 E C 1.135 177.741 176.600 0.010 0.000 0.996 359 E CA 0.934 57.339 56.400 0.007 0.000 0.840 359 E CB -0.089 29.620 29.700 0.015 0.000 0.772 359 E HN 0.245 nan 8.360 nan 0.000 0.491 360 K N 0.036 120.439 120.400 0.005 0.000 2.426 360 K HA 0.121 4.437 4.320 -0.005 0.000 0.193 360 K C 0.869 177.478 176.600 0.015 0.000 1.028 360 K CA 0.430 56.727 56.287 0.015 0.000 1.047 360 K CB 0.517 33.029 32.500 0.019 0.000 0.821 360 K HN 0.310 nan 8.250 nan 0.000 0.513 361 G N 2.199 111.002 108.800 0.005 0.000 2.160 361 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.244 361 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.244 361 G C -0.036 174.870 174.900 0.009 0.000 1.022 361 G CA -0.206 44.898 45.100 0.007 0.000 0.741 361 G HN 0.221 nan 8.290 nan 0.000 0.508 362 I N 0.579 121.148 120.570 -0.002 0.000 2.353 362 I HA 0.300 4.466 4.170 -0.005 0.000 0.293 362 I C 1.014 177.122 176.117 -0.016 0.000 0.992 362 I CA -1.100 60.204 61.300 0.007 0.000 1.268 362 I CB 1.672 39.672 38.000 0.001 0.000 1.387 362 I HN -0.138 nan 8.210 nan 0.000 0.478 363 V N 7.101 127.020 119.914 0.009 0.000 2.450 363 V HA -0.034 4.082 4.120 -0.005 0.000 0.281 363 V C 0.107 176.195 176.094 -0.011 0.000 1.019 363 V CA 0.014 62.317 62.300 0.006 0.000 1.062 363 V CB 0.775 32.617 31.823 0.032 0.000 0.979 363 V HN 0.356 nan 8.190 nan 0.000 0.477 364 L N 7.582 128.760 121.223 -0.075 0.000 2.282 364 L HA 0.526 4.863 4.340 -0.005 0.000 0.288 364 L C 0.025 176.885 176.870 -0.018 0.000 1.033 364 L CA 0.447 55.188 54.840 -0.165 0.000 0.807 364 L CB 0.848 42.614 42.059 -0.487 0.000 1.209 364 L HN 0.625 nan 8.230 nan 0.000 0.423 365 N N 2.990 121.800 118.700 0.184 0.000 2.328 365 N HA 0.783 5.519 4.740 -0.005 0.000 0.299 365 N C -0.735 175.156 175.510 0.635 0.000 1.179 365 N CA -0.493 52.820 53.050 0.438 0.000 0.793 365 N CB 2.256 40.962 38.487 0.365 0.000 1.366 365 N HN 0.748 nan 8.380 nan 0.000 0.493 366 G N -0.398 108.790 108.800 0.647 0.000 2.694 366 G HA2 0.631 4.588 3.960 -0.005 0.000 0.290 366 G HA3 0.631 4.588 3.960 -0.005 0.000 0.290 366 G C -1.557 173.482 174.900 0.232 0.000 1.386 366 G CA -0.541 44.842 45.100 0.471 0.000 0.872 366 G HN 0.646 nan 8.290 nan 0.000 0.475 367 E N -0.643 119.649 120.200 0.154 0.000 2.423 367 E HA 0.306 4.652 4.350 -0.005 0.000 0.280 367 E C -1.201 175.494 176.600 0.159 0.000 1.030 367 E CA -1.133 55.243 56.400 -0.039 0.000 0.812 367 E CB 1.400 31.017 29.700 -0.139 0.000 1.313 367 E HN 0.531 nan 8.360 nan 0.000 0.456 368 N N 0.517 119.336 118.700 0.198 0.000 2.529 368 N HA 0.226 4.963 4.740 -0.005 0.000 0.278 368 N C 0.292 175.842 175.510 0.066 0.000 1.146 368 N CA 0.152 53.318 53.050 0.193 0.000 0.980 368 N CB 1.766 40.424 38.487 0.285 0.000 1.124 368 N HN 0.605 nan 8.380 nan 0.000 0.458 369 A N 2.517 125.355 122.820 0.031 0.000 1.898 369 A HA 0.148 4.465 4.320 -0.005 0.000 0.214 369 A C 1.012 178.605 177.584 0.014 0.000 1.183 369 A CA 0.642 52.686 52.037 0.011 0.000 0.622 369 A CB -0.127 18.877 19.000 0.006 0.000 0.824 369 A HN 0.668 nan 8.150 nan 0.000 0.444 370 L N -1.077 120.154 121.223 0.013 0.000 2.301 370 L HA 0.389 4.726 4.340 -0.005 0.000 0.264 370 L C -0.072 176.817 176.870 0.031 0.000 1.016 370 L CA -0.926 53.918 54.840 0.007 0.000 0.821 370 L CB 1.989 44.033 42.059 -0.025 0.000 1.346 370 L HN -0.024 nan 8.230 nan 0.000 0.429 371 S N 1.249 116.967 115.700 0.030 0.000 2.558 371 S HA 0.259 4.726 4.470 -0.005 0.000 0.288 371 S C -0.142 174.475 174.600 0.030 0.000 1.318 371 S CA -0.096 58.131 58.200 0.045 0.000 1.056 371 S CB 0.014 63.237 63.200 0.038 0.000 0.853 371 S HN 0.245 nan 8.310 nan 0.000 0.505 372 I N 2.320 122.916 120.570 0.044 0.000 2.336 372 I HA 0.338 4.505 4.170 -0.005 0.000 0.292 372 I C 1.262 177.324 176.117 -0.092 0.000 0.991 372 I CA -0.270 61.006 61.300 -0.040 0.000 1.227 372 I CB 1.419 39.388 38.000 -0.052 0.000 1.366 372 I HN 0.836 nan 8.210 nan 0.000 0.466 373 G N 4.558 113.291 108.800 -0.111 0.000 2.781 373 G HA2 -0.015 3.942 3.960 -0.005 0.000 0.208 373 G HA3 -0.015 3.942 3.960 -0.005 0.000 0.208 373 G C 0.351 175.173 174.900 -0.129 0.000 1.099 373 G CA 0.081 45.129 45.100 -0.087 0.000 0.776 373 G HN 0.501 nan 8.290 nan 0.000 0.532 374 N N 0.481 119.074 118.700 -0.179 0.000 2.319 374 N HA 0.148 4.885 4.740 -0.005 0.000 0.305 374 N C 1.263 176.602 175.510 -0.285 0.000 1.103 374 N CA -0.455 52.495 53.050 -0.166 0.000 0.815 374 N CB 2.108 40.535 38.487 -0.099 0.000 1.288 374 N HN 0.280 nan 8.380 nan 0.000 0.493 375 E N 1.321 121.402 120.200 -0.197 0.000 2.265 375 E HA -0.163 4.184 4.350 -0.005 0.000 0.196 375 E C 0.248 176.805 176.600 -0.072 0.000 0.996 375 E CA 0.984 57.296 56.400 -0.146 0.000 0.832 375 E CB 0.030 29.749 29.700 0.031 0.000 0.756 375 E HN 0.517 nan 8.360 nan 0.000 0.491 376 E N 1.236 121.393 120.200 -0.072 0.000 2.160 376 E HA -0.198 4.149 4.350 -0.005 0.000 0.195 376 E C 1.748 178.319 176.600 -0.047 0.000 0.991 376 E CA 1.267 57.644 56.400 -0.040 0.000 0.810 376 E CB -0.040 29.638 29.700 -0.036 0.000 0.742 376 E HN 0.524 nan 8.360 nan 0.000 0.466 377 E N -0.448 119.694 120.200 -0.095 0.000 2.107 377 E HA -0.139 4.208 4.350 -0.005 0.000 0.191 377 E C 1.801 178.405 176.600 0.006 0.000 0.982 377 E CA 0.573 56.931 56.400 -0.071 0.000 0.809 377 E CB -0.135 29.503 29.700 -0.103 0.000 0.756 377 E HN 0.244 nan 8.360 nan 0.000 0.459 378 Y N 1.191 121.454 120.300 -0.061 0.000 2.224 378 Y HA -0.123 4.425 4.550 -0.003 0.000 0.289 378 Y C 1.812 177.605 175.900 -0.179 0.000 1.146 378 Y CA 0.841 58.870 58.100 -0.120 0.000 1.182 378 Y CB -0.288 38.132 38.460 -0.067 0.000 0.983 378 Y HN -0.031 nan 8.280 nan 0.000 0.524 379 K N -0.321 120.107 120.400 0.046 0.000 2.148 379 K HA -0.139 4.178 4.320 -0.005 0.000 0.204 379 K C 2.196 178.756 176.600 -0.067 0.000 1.050 379 K CA 1.085 57.361 56.287 -0.019 0.000 0.942 379 K CB -0.110 32.393 32.500 0.005 0.000 0.724 379 K HN 0.176 nan 8.250 nan 0.000 0.446 380 R N 0.434 120.893 120.500 -0.068 0.000 2.090 380 R HA -0.039 4.298 4.340 -0.005 0.000 0.228 380 R C 2.240 178.430 176.300 -0.183 0.000 1.110 380 R CA 0.655 56.699 56.100 -0.093 0.000 0.973 380 R CB -0.217 30.041 30.300 -0.070 0.000 0.869 380 R HN -0.050 nan 8.270 nan 0.000 0.440 381 V N 0.760 120.529 119.914 -0.242 0.000 2.295 381 V HA -0.245 3.872 4.120 -0.005 0.000 0.246 381 V C 2.321 178.055 176.094 -0.600 0.000 1.049 381 V CA 2.005 64.034 62.300 -0.452 0.000 1.024 381 V CB -0.728 30.713 31.823 -0.636 0.000 0.648 381 V HN 0.431 nan 8.190 nan 0.000 0.447 382 A N -0.370 122.131 122.820 -0.532 0.000 1.908 382 A HA -0.311 4.006 4.320 -0.005 0.000 0.218 382 A C 2.298 179.616 177.584 -0.442 0.000 1.181 382 A CA 2.175 53.841 52.037 -0.618 0.000 0.627 382 A CB -0.572 18.273 19.000 -0.258 0.000 0.818 382 A HN 0.654 nan 8.150 nan 0.000 0.445 383 E N -1.044 119.003 120.200 -0.255 0.000 2.058 383 E HA -0.224 4.123 4.350 -0.005 0.000 0.194 383 E C 1.988 178.476 176.600 -0.186 0.000 0.997 383 E CA 1.621 57.911 56.400 -0.183 0.000 0.801 383 E CB -0.167 29.486 29.700 -0.079 0.000 0.746 383 E HN 0.481 nan 8.360 nan 0.000 0.450 384 M N 0.445 119.912 119.600 -0.221 0.000 2.098 384 M HA -0.035 4.442 4.480 -0.005 0.000 0.262 384 M C 2.496 178.695 176.300 -0.168 0.000 1.072 384 M CA 1.459 56.661 55.300 -0.164 0.000 1.133 384 M CB -1.373 31.019 32.600 -0.347 0.000 1.344 384 M HN 0.221 nan 8.290 nan 0.000 0.414 385 A N 0.063 122.552 122.820 -0.552 0.000 1.865 385 A HA -0.162 4.155 4.320 -0.005 0.000 0.217 385 A C 2.029 179.466 177.584 -0.243 0.000 1.191 385 A CA 1.661 53.349 52.037 -0.581 0.000 0.623 385 A CB -1.250 17.151 19.000 -0.998 0.000 0.826 385 A HN 0.484 nan 8.150 nan 0.000 0.444 386 F N -0.666 119.164 119.950 -0.200 0.000 2.780 386 F HA 0.034 4.559 4.527 -0.003 0.000 0.299 386 F C 2.035 177.738 175.800 -0.162 0.000 1.146 386 F CA 0.175 58.046 58.000 -0.215 0.000 1.428 386 F CB 0.080 38.895 39.000 -0.309 0.000 1.115 386 F HN 0.235 nan 8.300 nan 0.000 0.583 387 N N -1.284 117.415 118.700 -0.002 0.000 2.348 387 N HA 0.003 4.740 4.740 -0.005 0.000 0.183 387 N C 0.204 175.598 175.510 -0.193 0.000 1.094 387 N CA 0.522 53.456 53.050 -0.195 0.000 0.885 387 N CB 0.246 38.345 38.487 -0.647 0.000 1.065 387 N HN 0.252 nan 8.380 nan 0.000 0.472 388 Y N 0.929 121.295 120.300 0.111 0.000 2.708 388 Y HA 0.250 4.796 4.550 -0.005 0.000 0.287 388 Y C 0.237 176.206 175.900 0.115 0.000 1.145 388 Y CA -0.698 57.506 58.100 0.173 0.000 1.249 388 Y CB -0.319 38.316 38.460 0.292 0.000 1.152 388 Y HN -0.086 nan 8.280 nan 0.000 0.532 389 N N 0.209 119.023 118.700 0.189 0.000 2.740 389 N HA -0.243 4.494 4.740 -0.005 0.000 0.248 389 N C -1.130 174.442 175.510 0.103 0.000 1.062 389 N CA 0.225 53.344 53.050 0.115 0.000 0.704 389 N CB -1.527 36.974 38.487 0.025 0.000 0.968 389 N HN 0.182 nan 8.380 nan 0.000 0.547 390 F N -0.139 119.890 119.950 0.132 0.000 2.456 390 F HA 0.390 4.912 4.527 -0.007 0.000 0.358 390 F C 1.734 177.686 175.800 0.253 0.000 1.095 390 F CA 0.272 58.378 58.000 0.178 0.000 1.216 390 F CB 0.758 39.863 39.000 0.174 0.000 1.125 390 F HN 0.215 nan 8.300 nan 0.000 0.549 391 A N 2.850 125.867 122.820 0.328 0.000 2.016 391 A HA 0.442 4.758 4.320 -0.005 0.000 0.217 391 A C 1.073 178.827 177.584 0.283 0.000 1.162 391 A CA 1.113 53.313 52.037 0.272 0.000 0.662 391 A CB -0.549 18.547 19.000 0.160 0.000 0.812 391 A HN 0.848 nan 8.150 nan 0.000 0.450 392 G N -2.246 106.781 108.800 0.379 0.000 2.673 392 G HA2 0.476 4.433 3.960 -0.005 0.000 0.292 392 G HA3 0.476 4.433 3.960 -0.005 0.000 0.292 392 G C -1.632 173.527 174.900 0.431 0.000 1.450 392 G CA -0.473 44.752 45.100 0.208 0.000 0.837 392 G HN 0.386 nan 8.290 nan 0.000 0.505 393 F N 1.016 121.041 119.950 0.125 0.000 2.556 393 F HA 0.753 5.275 4.527 -0.007 0.000 0.314 393 F C -0.409 175.551 175.800 0.267 0.000 1.106 393 F CA -0.643 57.487 58.000 0.218 0.000 0.911 393 F CB 2.581 41.693 39.000 0.187 0.000 1.190 393 F HN 0.418 nan 8.300 nan 0.000 0.448 394 T N 7.322 121.456 114.554 -0.700 0.000 2.791 394 T HA 0.421 4.767 4.350 -0.005 0.000 0.288 394 T C -1.031 173.191 174.700 -0.796 0.000 0.999 394 T CA -0.402 61.453 62.100 -0.408 0.000 0.952 394 T CB 1.090 69.903 68.868 -0.092 0.000 0.938 394 T HN 0.590 nan 8.240 nan 0.000 0.444 395 L N 4.772 125.783 121.223 -0.353 0.000 2.281 395 L HA 0.553 4.890 4.340 -0.005 0.000 0.285 395 L C -0.628 176.203 176.870 -0.064 0.000 1.074 395 L CA -0.468 54.307 54.840 -0.108 0.000 0.817 395 L CB 0.455 42.596 42.059 0.137 0.000 1.168 395 L HN 0.643 nan 8.230 nan 0.000 0.434 396 L N 6.759 127.977 121.223 -0.009 0.000 2.265 396 L HA 0.614 4.950 4.340 -0.005 0.000 0.289 396 L C -0.442 176.463 176.870 0.058 0.000 1.033 396 L CA -0.244 54.601 54.840 0.009 0.000 0.814 396 L CB 0.403 42.464 42.059 0.004 0.000 1.203 396 L HN 0.851 nan 8.230 nan 0.000 0.423 397 R N 2.738 123.267 120.500 0.048 0.000 2.764 397 R HA 0.138 4.474 4.340 -0.005 0.000 0.270 397 R C 0.230 176.556 176.300 0.043 0.000 1.014 397 R CA -0.584 55.540 56.100 0.040 0.000 0.904 397 R CB 0.986 31.324 30.300 0.064 0.000 1.236 397 R HN 0.578 nan 8.270 nan 0.000 0.466 398 Y N 1.804 122.044 120.300 -0.101 0.000 1.987 398 Y HA -0.508 4.038 4.550 -0.006 0.000 0.222 398 Y C 2.320 178.115 175.900 -0.175 0.000 1.222 398 Y CA 3.162 61.177 58.100 -0.141 0.000 1.007 398 Y CB -0.055 38.371 38.460 -0.058 0.000 0.811 398 Y HN 0.672 nan 8.280 nan 0.000 0.530 399 Q N -0.399 119.472 119.800 0.119 0.000 2.248 399 Q HA -0.222 4.114 4.340 -0.005 0.000 0.208 399 Q C 1.561 177.515 176.000 -0.076 0.000 0.984 399 Q CA 1.868 57.653 55.803 -0.031 0.000 0.875 399 Q CB -0.822 28.115 28.738 0.332 0.000 0.910 399 Q HN 0.593 nan 8.270 nan 0.000 0.433 400 D N 1.439 121.835 120.400 -0.007 0.000 2.104 400 D HA -0.131 4.506 4.640 -0.005 0.000 0.194 400 D C 2.153 178.463 176.300 0.017 0.000 0.994 400 D CA 2.236 56.258 54.000 0.037 0.000 0.830 400 D CB -0.088 40.751 40.800 0.066 0.000 0.959 400 D HN 0.419 nan 8.370 nan 0.000 0.452 401 V N -2.210 117.668 119.914 -0.061 0.000 3.307 401 V HA 0.128 4.244 4.120 -0.005 0.000 0.253 401 V C 2.015 178.049 176.094 -0.099 0.000 1.149 401 V CA 0.267 62.556 62.300 -0.019 0.000 1.112 401 V CB -0.142 31.678 31.823 -0.005 0.000 0.777 401 V HN -0.084 nan 8.190 nan 0.000 0.464 402 M N 0.629 120.008 119.600 -0.370 0.000 2.374 402 M HA 0.109 4.586 4.480 -0.005 0.000 0.264 402 M C 1.520 177.565 176.300 -0.426 0.000 1.067 402 M CA 1.750 56.725 55.300 -0.542 0.000 1.103 402 M CB -0.666 31.248 32.600 -1.144 0.000 1.402 402 M HN 0.553 nan 8.290 nan 0.000 0.444 403 Y N -2.483 117.847 120.300 0.051 0.000 2.500 403 Y HA 0.347 4.894 4.550 -0.004 0.000 0.246 403 Y C 0.481 176.425 175.900 0.073 0.000 1.146 403 Y CA -0.803 57.333 58.100 0.060 0.000 1.230 403 Y CB 0.394 38.885 38.460 0.051 0.000 1.214 403 Y HN 0.039 nan 8.280 nan 0.000 0.526 404 N N 0.981 119.785 118.700 0.173 0.000 2.696 404 N HA 0.114 4.851 4.740 -0.005 0.000 0.246 404 N C -0.245 175.370 175.510 0.174 0.000 1.057 404 N CA 0.003 53.147 53.050 0.156 0.000 0.867 404 N CB 0.342 38.908 38.487 0.131 0.000 1.141 404 N HN 0.178 nan 8.380 nan 0.000 0.517 405 N N 0.344 119.153 118.700 0.182 0.000 2.094 405 N HA -0.154 4.583 4.740 -0.005 0.000 0.191 405 N C 1.301 176.932 175.510 0.201 0.000 1.023 405 N CA 1.771 54.954 53.050 0.221 0.000 0.857 405 N CB 0.275 38.866 38.487 0.172 0.000 1.013 405 N HN 0.387 nan 8.380 nan 0.000 0.426 406 S N 0.277 116.070 115.700 0.155 0.000 2.356 406 S HA -0.070 4.397 4.470 -0.005 0.000 0.223 406 S C 1.916 176.619 174.600 0.172 0.000 1.032 406 S CA 0.762 59.046 58.200 0.139 0.000 1.005 406 S CB -0.350 62.911 63.200 0.103 0.000 0.867 406 S HN 0.259 nan 8.310 nan 0.000 0.449 407 L N 0.454 121.787 121.223 0.184 0.000 2.046 407 L HA -0.141 4.196 4.340 -0.005 0.000 0.208 407 L C 2.582 179.664 176.870 0.354 0.000 1.077 407 L CA 1.286 56.287 54.840 0.267 0.000 0.747 407 L CB -0.393 41.795 42.059 0.215 0.000 0.896 407 L HN 0.352 nan 8.230 nan 0.000 0.432 408 M N 0.133 119.886 119.600 0.255 0.000 2.108 408 M HA -0.123 4.353 4.480 -0.005 0.000 0.261 408 M C 1.994 178.400 176.300 0.176 0.000 1.066 408 M CA 2.152 57.574 55.300 0.204 0.000 1.107 408 M CB -0.983 31.723 32.600 0.177 0.000 1.356 408 M HN 0.125 nan 8.290 nan 0.000 0.406 409 G N -0.073 108.833 108.800 0.178 0.000 2.422 409 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.218 409 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.218 409 G C 1.598 176.565 174.900 0.112 0.000 1.146 409 G CA 0.738 45.915 45.100 0.128 0.000 0.769 409 G HN 0.364 nan 8.290 nan 0.000 0.547 410 K N 0.019 120.528 120.400 0.181 0.000 2.103 410 K HA 0.050 4.367 4.320 -0.005 0.000 0.204 410 K C 2.009 178.658 176.600 0.081 0.000 1.052 410 K CA 0.358 56.756 56.287 0.185 0.000 0.945 410 K CB -0.635 32.053 32.500 0.314 0.000 0.722 410 K HN 0.423 nan 8.250 nan 0.000 0.443 411 F N 2.550 122.453 119.950 -0.078 0.000 2.102 411 F HA -0.207 4.316 4.527 -0.006 0.000 0.298 411 F C 2.472 178.081 175.800 -0.320 0.000 1.105 411 F CA 1.751 59.489 58.000 -0.436 0.000 1.239 411 F CB -0.061 38.694 39.000 -0.410 0.000 0.991 411 F HN -0.056 nan 8.300 nan 0.000 0.474 412 K N 0.204 120.573 120.400 -0.053 0.000 2.032 412 K HA -0.288 4.029 4.320 -0.005 0.000 0.209 412 K C 1.958 178.433 176.600 -0.208 0.000 1.048 412 K CA 2.198 58.399 56.287 -0.144 0.000 0.927 412 K CB -0.577 31.867 32.500 -0.094 0.000 0.712 412 K HN 0.392 nan 8.250 nan 0.000 0.441 413 D N 0.098 120.411 120.400 -0.146 0.000 2.084 413 D HA -0.153 4.483 4.640 -0.005 0.000 0.194 413 D C 1.956 178.147 176.300 -0.181 0.000 0.990 413 D CA 1.483 55.407 54.000 -0.126 0.000 0.826 413 D CB 0.004 40.770 40.800 -0.057 0.000 0.971 413 D HN 0.300 nan 8.370 nan 0.000 0.453 414 L N -0.821 120.263 121.223 -0.233 0.000 2.127 414 L HA 0.058 4.394 4.340 -0.005 0.000 0.203 414 L C 2.155 178.837 176.870 -0.313 0.000 1.080 414 L CA 0.632 55.328 54.840 -0.240 0.000 0.768 414 L CB -0.055 41.889 42.059 -0.193 0.000 0.924 414 L HN 0.133 nan 8.230 nan 0.000 0.444 415 L N -1.679 119.140 121.223 -0.672 0.000 2.717 415 L HA 0.256 4.592 4.340 -0.005 0.000 0.239 415 L C 1.537 178.079 176.870 -0.547 0.000 1.086 415 L CA 0.023 54.445 54.840 -0.697 0.000 0.897 415 L CB 0.078 41.433 42.059 -1.172 0.000 1.214 415 L HN 0.117 nan 8.230 nan 0.000 0.508 416 G N 1.938 110.293 108.800 -0.741 0.000 3.401 416 G HA2 0.352 4.309 3.960 -0.005 0.000 0.251 416 G HA3 0.352 4.309 3.960 -0.005 0.000 0.251 416 G C 0.131 174.940 174.900 -0.152 0.000 0.960 416 G CA 0.009 44.916 45.100 -0.321 0.000 1.900 416 G HN 0.032 nan 8.290 nan 0.000 0.645 417 V N -2.202 117.686 119.914 -0.044 0.000 2.834 417 V HA 0.774 4.891 4.120 -0.005 0.000 0.313 417 V C 0.024 176.118 176.094 -0.001 0.000 1.060 417 V CA -0.817 61.440 62.300 -0.071 0.000 0.989 417 V CB 1.801 33.507 31.823 -0.196 0.000 1.041 417 V HN 0.020 nan 8.190 nan 0.000 0.459 418 T N 4.600 119.116 114.554 -0.064 0.000 2.756 418 T HA 0.479 4.825 4.350 -0.005 0.000 0.290 418 T C -2.673 171.977 174.700 -0.084 0.000 0.985 418 T CA -0.918 61.152 62.100 -0.050 0.000 0.955 418 T CB 1.154 69.986 68.868 -0.061 0.000 0.930 418 T HN 0.696 nan 8.240 nan 0.000 0.451 419 P HA 0.272 nan 4.420 nan 0.000 0.271 419 P C -0.886 176.357 177.300 -0.094 0.000 1.226 419 P CA -0.304 62.743 63.100 -0.089 0.000 0.765 419 P CB 0.650 32.335 31.700 -0.026 0.000 0.835 420 V N 5.521 125.358 119.914 -0.129 0.000 2.638 420 V HA 0.496 4.612 4.120 -0.005 0.000 0.306 420 V C -0.669 175.355 176.094 -0.116 0.000 1.052 420 V CA -1.170 61.059 62.300 -0.119 0.000 0.885 420 V CB 1.860 33.592 31.823 -0.151 0.000 0.999 420 V HN 0.449 nan 8.190 nan 0.000 0.424 421 M N 6.263 125.818 119.600 -0.076 0.000 2.146 421 M HA 0.504 4.981 4.480 -0.005 0.000 0.357 421 M C -0.715 175.564 176.300 -0.035 0.000 1.261 421 M CA 0.114 55.384 55.300 -0.050 0.000 1.106 421 M CB 0.579 33.164 32.600 -0.024 0.000 1.612 421 M HN 0.691 nan 8.290 nan 0.000 0.470 422 Q N 2.907 122.702 119.800 -0.007 0.000 2.433 422 Q HA 0.507 4.844 4.340 -0.005 0.000 0.279 422 Q C -1.145 174.939 176.000 0.140 0.000 1.105 422 Q CA -0.646 55.209 55.803 0.087 0.000 0.815 422 Q CB 2.392 31.187 28.738 0.095 0.000 1.403 422 Q HN 0.612 nan 8.270 nan 0.000 0.435 423 T N 1.601 116.274 114.554 0.198 0.000 2.779 423 T HA 0.612 4.958 4.350 -0.005 0.000 0.280 423 T C 0.069 174.866 174.700 0.161 0.000 0.987 423 T CA -0.359 61.826 62.100 0.141 0.000 0.966 423 T CB 0.393 69.321 68.868 0.101 0.000 0.933 423 T HN 0.289 nan 8.240 nan 0.000 0.442 424 I N 3.421 124.057 120.570 0.110 0.000 2.354 424 I HA 0.470 4.637 4.170 -0.005 0.000 0.292 424 I C -0.484 175.704 176.117 0.119 0.000 0.989 424 I CA -0.949 60.408 61.300 0.095 0.000 1.188 424 I CB 1.648 39.654 38.000 0.010 0.000 1.342 424 I HN 0.230 nan 8.210 nan 0.000 0.457 425 V N 7.212 127.209 119.914 0.138 0.000 2.448 425 V HA 0.465 4.582 4.120 -0.005 0.000 0.295 425 V C -0.250 175.949 176.094 0.176 0.000 1.025 425 V CA -0.650 61.728 62.300 0.130 0.000 0.859 425 V CB 2.124 33.994 31.823 0.077 0.000 0.988 425 V HN 0.411 nan 8.190 nan 0.000 0.431 426 V N 5.356 125.396 119.914 0.211 0.000 2.482 426 V HA 0.492 4.609 4.120 -0.005 0.000 0.295 426 V C -0.140 176.117 176.094 0.272 0.000 1.026 426 V CA -0.874 61.578 62.300 0.253 0.000 0.856 426 V CB 1.595 33.599 31.823 0.301 0.000 1.001 426 V HN 0.865 nan 8.190 nan 0.000 0.424 427 K N 2.417 122.953 120.400 0.226 0.000 2.245 427 K HA 0.617 4.934 4.320 -0.005 0.000 0.234 427 K C 0.382 177.119 176.600 0.229 0.000 1.021 427 K CA -0.816 55.597 56.287 0.210 0.000 0.898 427 K CB 0.974 33.553 32.500 0.133 0.000 1.163 427 K HN 0.656 nan 8.250 nan 0.000 0.459 428 N N -1.403 117.408 118.700 0.185 0.000 2.828 428 N HA -0.168 4.569 4.740 -0.005 0.000 0.248 428 N C -0.914 174.628 175.510 0.052 0.000 1.044 428 N CA 0.439 53.577 53.050 0.145 0.000 0.851 428 N CB -1.334 37.261 38.487 0.179 0.000 1.136 428 N HN 0.121 nan 8.380 nan 0.000 0.572 429 V N 1.078 120.985 119.914 -0.012 0.000 2.450 429 V HA 0.145 4.262 4.120 -0.005 0.000 0.281 429 V C -1.623 174.163 176.094 -0.514 0.000 1.019 429 V CA -0.604 61.385 62.300 -0.518 0.000 1.062 429 V CB 0.631 32.154 31.823 -0.499 0.000 0.979 429 V HN -0.008 nan 8.190 nan 0.000 0.477 430 P HA 0.133 nan 4.420 nan 0.000 0.235 430 P C 0.291 177.364 177.300 -0.378 0.000 1.765 430 P CA -0.001 62.853 63.100 -0.409 0.000 1.034 430 P CB -0.383 31.114 31.700 -0.339 0.000 1.984 431 T N -1.120 113.251 114.554 -0.305 0.000 2.918 431 T HA 0.632 4.979 4.350 -0.005 0.000 0.283 431 T C 0.506 175.118 174.700 -0.147 0.000 1.001 431 T CA -0.463 61.487 62.100 -0.250 0.000 1.041 431 T CB 1.209 69.961 68.868 -0.193 0.000 1.028 431 T HN 0.243 nan 8.240 nan 0.000 0.511 432 T N -1.608 112.874 114.554 -0.121 0.000 2.693 432 T HA 0.637 4.984 4.350 -0.005 0.000 0.278 432 T C 0.016 174.680 174.700 -0.061 0.000 0.994 432 T CA -1.159 60.892 62.100 -0.082 0.000 1.033 432 T CB 0.261 69.088 68.868 -0.068 0.000 1.342 432 T HN 0.875 nan 8.240 nan 0.000 0.538 433 I N -0.206 120.336 120.570 -0.046 0.000 2.648 433 I HA 0.589 4.756 4.170 -0.005 0.000 0.284 433 I C 1.515 177.620 176.117 -0.020 0.000 1.153 433 I CA 0.760 62.041 61.300 -0.030 0.000 1.426 433 I CB -0.398 37.587 38.000 -0.026 0.000 1.381 433 I HN 1.195 nan 8.210 nan 0.000 0.571 434 G N 2.925 111.722 108.800 -0.005 0.000 2.179 434 G HA2 -0.254 3.702 3.960 -0.005 0.000 0.260 434 G HA3 -0.254 3.702 3.960 -0.005 0.000 0.260 434 G C -0.145 174.752 174.900 -0.006 0.000 0.977 434 G CA 0.227 45.329 45.100 0.003 0.000 0.641 434 G HN 0.767 nan 8.290 nan 0.000 0.533 435 D N 1.559 121.941 120.400 -0.031 0.000 2.249 435 D HA 0.562 5.199 4.640 -0.005 0.000 0.246 435 D C 0.851 177.069 176.300 -0.136 0.000 1.114 435 D CA 0.805 54.750 54.000 -0.091 0.000 0.854 435 D CB 1.265 41.976 40.800 -0.149 0.000 1.132 435 D HN 0.396 nan 8.370 nan 0.000 0.461 436 T N -1.392 113.048 114.554 -0.190 0.000 2.940 436 T HA 0.713 5.060 4.350 -0.005 0.000 0.288 436 T C -0.059 174.255 174.700 -0.643 0.000 1.033 436 T CA -0.871 61.022 62.100 -0.344 0.000 1.033 436 T CB 1.375 70.108 68.868 -0.225 0.000 1.079 436 T HN 0.013 nan 8.240 nan 0.000 0.496 437 V N 1.542 120.862 119.914 -0.990 0.000 2.628 437 V HA 0.641 4.758 4.120 -0.005 0.000 0.306 437 V C -1.284 174.253 176.094 -0.929 0.000 1.045 437 V CA -0.757 60.982 62.300 -0.936 0.000 0.905 437 V CB 1.265 32.387 31.823 -1.168 0.000 0.997 437 V HN 0.936 nan 8.190 nan 0.000 0.436 438 Y N 3.307 123.126 120.300 -0.803 0.000 2.669 438 Y HA 0.778 5.325 4.550 -0.005 0.000 0.335 438 Y C -0.049 175.487 175.900 -0.606 0.000 1.116 438 Y CA -1.021 56.620 58.100 -0.764 0.000 1.081 438 Y CB 2.079 39.893 38.460 -1.075 0.000 1.297 438 Y HN 0.604 nan 8.280 nan 0.000 0.484 439 I N -1.206 119.335 120.570 -0.049 0.000 2.769 439 I HA 0.897 5.063 4.170 -0.005 0.000 0.298 439 I C -0.971 175.312 176.117 0.276 0.000 1.128 439 I CA -0.678 60.714 61.300 0.154 0.000 1.031 439 I CB 2.515 40.586 38.000 0.119 0.000 1.235 439 I HN 0.536 nan 8.210 nan 0.000 0.423 440 T N 2.156 116.933 114.554 0.372 0.000 2.853 440 T HA 0.839 5.186 4.350 -0.005 0.000 0.311 440 T C -0.661 173.976 174.700 -0.106 0.000 1.307 440 T CA -0.160 62.081 62.100 0.234 0.000 1.019 440 T CB 1.920 71.062 68.868 0.456 0.000 1.264 440 T HN 1.244 nan 8.240 nan 0.000 0.497 441 G N 1.488 109.953 108.800 -0.558 0.000 2.721 441 G HA2 0.394 4.351 3.960 -0.005 0.000 0.296 441 G HA3 0.394 4.351 3.960 -0.005 0.000 0.296 441 G C 0.552 174.535 174.900 -1.527 0.000 1.383 441 G CA -0.143 44.213 45.100 -1.240 0.000 0.788 441 G HN 0.675 nan 8.290 nan 0.000 0.500 442 N N -0.410 117.617 118.700 -1.121 0.000 2.223 442 N HA -0.074 4.662 4.740 -0.005 0.000 0.185 442 N C 0.757 176.134 175.510 -0.222 0.000 1.016 442 N CA 0.719 53.507 53.050 -0.436 0.000 0.863 442 N CB -0.070 38.472 38.487 0.093 0.000 0.983 442 N HN 0.440 nan 8.380 nan 0.000 0.429 443 R N -0.387 119.979 120.500 -0.224 0.000 2.528 443 R HA 0.463 4.800 4.340 -0.005 0.000 0.271 443 R C 1.113 177.326 176.300 -0.146 0.000 1.056 443 R CA 0.100 56.108 56.100 -0.153 0.000 1.117 443 R CB 0.678 30.877 30.300 -0.169 0.000 1.085 443 R HN 0.172 nan 8.270 nan 0.000 0.530 444 A N 1.927 124.699 122.820 -0.081 0.000 2.070 444 A HA -0.169 4.148 4.320 -0.005 0.000 0.220 444 A C 1.538 179.081 177.584 -0.069 0.000 1.159 444 A CA 1.445 53.460 52.037 -0.037 0.000 0.656 444 A CB -0.235 18.796 19.000 0.052 0.000 0.800 444 A HN 0.787 nan 8.150 nan 0.000 0.453 445 E N -0.444 119.639 120.200 -0.194 0.000 2.268 445 E HA -0.005 4.342 4.350 -0.005 0.000 0.195 445 E C 1.397 177.871 176.600 -0.211 0.000 0.995 445 E CA 0.704 56.914 56.400 -0.315 0.000 0.836 445 E CB -0.132 29.250 29.700 -0.529 0.000 0.763 445 E HN 0.637 nan 8.360 nan 0.000 0.491 446 L N -1.546 119.563 121.223 -0.190 0.000 2.640 446 L HA 0.308 4.645 4.340 -0.005 0.000 0.230 446 L C 1.196 178.011 176.870 -0.092 0.000 1.123 446 L CA 0.309 55.051 54.840 -0.163 0.000 0.900 446 L CB 0.561 42.484 42.059 -0.227 0.000 1.146 446 L HN 0.312 nan 8.230 nan 0.000 0.484 447 G N -1.194 107.565 108.800 -0.068 0.000 2.179 447 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.220 447 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.220 447 G C 0.542 175.504 174.900 0.104 0.000 0.990 447 G CA -0.022 45.110 45.100 0.054 0.000 0.646 447 G HN 0.124 nan 8.290 nan 0.000 0.517 448 S N -1.564 114.116 115.700 -0.033 0.000 3.631 448 S HA -0.274 4.193 4.470 -0.005 0.000 0.366 448 S C 1.024 175.733 174.600 0.183 0.000 0.993 448 S CA 1.592 59.801 58.200 0.014 0.000 1.167 448 S CB -2.080 61.191 63.200 0.120 0.000 0.909 448 S HN 1.849 nan 8.310 nan 0.000 0.478 449 W N -1.711 119.673 121.300 0.140 0.000 3.834 449 W HA -0.235 4.424 4.660 -0.001 0.000 0.320 449 W C 0.224 176.827 176.519 0.141 0.000 1.201 449 W CA 0.566 58.000 57.345 0.148 0.000 0.701 449 W CB -1.645 27.852 29.460 0.062 0.000 2.264 449 W HN 0.615 nan 8.180 nan 0.000 1.413 450 D N 0.235 120.813 120.400 0.297 0.000 2.264 450 D HA 0.388 5.024 4.640 -0.005 0.000 0.250 450 D C 1.259 177.630 176.300 0.119 0.000 1.113 450 D CA 0.835 54.945 54.000 0.183 0.000 0.871 450 D CB 1.218 42.112 40.800 0.155 0.000 1.167 450 D HN 0.045 nan 8.370 nan 0.000 0.447 451 T N 0.239 114.782 114.554 -0.019 0.000 3.044 451 T HA 0.155 4.502 4.350 -0.005 0.000 0.260 451 T C 1.272 175.896 174.700 -0.127 0.000 1.019 451 T CA -0.252 61.753 62.100 -0.159 0.000 0.921 451 T CB 0.237 68.766 68.868 -0.566 0.000 1.053 451 T HN 0.118 nan 8.240 nan 0.000 0.533 452 K N 2.222 122.553 120.400 -0.116 0.000 2.020 452 K HA 0.081 4.397 4.320 -0.005 0.000 0.206 452 K C 2.218 178.725 176.600 -0.156 0.000 1.038 452 K CA 1.493 57.698 56.287 -0.135 0.000 0.947 452 K CB -0.157 32.263 32.500 -0.134 0.000 0.744 452 K HN 0.720 nan 8.250 nan 0.000 0.442 453 Q N -1.947 117.721 119.800 -0.219 0.000 2.179 453 Q HA 0.149 4.485 4.340 -0.005 0.000 0.244 453 Q C 0.810 176.793 176.000 -0.028 0.000 0.808 453 Q CA -0.002 55.688 55.803 -0.187 0.000 0.955 453 Q CB 0.323 28.906 28.738 -0.259 0.000 1.141 453 Q HN 0.098 nan 8.270 nan 0.000 0.485 454 Y N 1.899 122.188 120.300 -0.018 0.000 2.458 454 Y HA 0.345 4.893 4.550 -0.004 0.000 0.254 454 Y C -1.731 174.180 175.900 0.018 0.000 1.120 454 Y CA -2.255 55.838 58.100 -0.010 0.000 1.282 454 Y CB -0.647 37.821 38.460 0.013 0.000 1.109 454 Y HN 0.102 nan 8.280 nan 0.000 0.526 455 P HA 0.028 nan 4.420 nan 0.000 0.270 455 P C -0.087 177.334 177.300 0.203 0.000 1.223 455 P CA 0.452 63.669 63.100 0.195 0.000 0.785 455 P CB 1.504 33.326 31.700 0.204 0.000 0.923 456 I N 1.177 121.861 120.570 0.191 0.000 2.353 456 I HA 0.242 4.409 4.170 -0.005 0.000 0.293 456 I C 1.021 177.207 176.117 0.116 0.000 0.992 456 I CA -0.596 60.781 61.300 0.128 0.000 1.268 456 I CB 1.038 39.056 38.000 0.030 0.000 1.387 456 I HN 0.342 nan 8.210 nan 0.000 0.478 457 Q N 6.160 125.949 119.800 -0.018 0.000 2.267 457 Q HA 0.514 4.851 4.340 -0.005 0.000 0.255 457 Q C -1.276 174.392 176.000 -0.554 0.000 0.923 457 Q CA -0.472 55.031 55.803 -0.500 0.000 0.925 457 Q CB 1.205 29.600 28.738 -0.573 0.000 1.195 457 Q HN 0.590 nan 8.270 nan 0.000 0.417 458 L N 3.323 124.199 121.223 -0.577 0.000 2.358 458 L HA 0.523 4.860 4.340 -0.005 0.000 0.268 458 L C -0.985 175.678 176.870 -0.346 0.000 1.032 458 L CA -1.022 53.643 54.840 -0.292 0.000 0.805 458 L CB 1.057 43.118 42.059 0.004 0.000 1.253 458 L HN 0.698 nan 8.230 nan 0.000 0.452 459 Y N -1.042 119.379 120.300 0.202 0.000 2.499 459 Y HA 0.263 4.809 4.550 -0.007 0.000 0.347 459 Y C -0.621 175.058 175.900 -0.368 0.000 0.987 459 Y CA -0.652 57.464 58.100 0.027 0.000 1.044 459 Y CB 1.586 40.009 38.460 -0.061 0.000 1.245 459 Y HN 0.267 nan 8.280 nan 0.000 0.461 460 Y N 3.088 122.793 120.300 -0.992 0.000 2.584 460 Y HA 0.094 4.642 4.550 -0.003 0.000 0.351 460 Y C 0.167 175.706 175.900 -0.602 0.000 1.030 460 Y CA -0.705 56.598 58.100 -1.328 0.000 1.332 460 Y CB 0.074 37.553 38.460 -1.636 0.000 1.148 460 Y HN 0.520 nan 8.280 nan 0.000 0.528 461 D N 4.044 123.906 120.400 -0.898 0.000 2.383 461 D HA -0.033 4.603 4.640 -0.005 0.000 0.245 461 D C 1.080 176.842 176.300 -0.895 0.000 1.263 461 D CA 0.470 54.087 54.000 -0.638 0.000 0.936 461 D CB 0.684 41.253 40.800 -0.384 0.000 1.053 461 D HN 0.740 nan 8.370 nan 0.000 0.507 462 S N 3.459 118.723 115.700 -0.728 0.000 2.419 462 S HA -0.204 4.263 4.470 -0.005 0.000 0.233 462 S C 1.535 175.891 174.600 -0.407 0.000 1.016 462 S CA 0.776 58.662 58.200 -0.523 0.000 0.974 462 S CB -0.312 62.685 63.200 -0.338 0.000 0.786 462 S HN 0.572 nan 8.310 nan 0.000 0.492 463 H N 0.942 119.894 119.070 -0.197 0.000 2.502 463 H HA 0.291 4.843 4.556 -0.007 0.000 0.283 463 H C 1.493 176.739 175.328 -0.136 0.000 1.015 463 H CA 1.107 57.077 56.048 -0.131 0.000 1.298 463 H CB -0.048 29.651 29.762 -0.105 0.000 1.411 463 H HN 0.479 nan 8.280 nan 0.000 0.556 464 S N -0.136 115.492 115.700 -0.120 0.000 2.526 464 S HA 0.031 4.497 4.470 -0.005 0.000 0.220 464 S C 0.280 174.771 174.600 -0.181 0.000 1.017 464 S CA -0.443 57.687 58.200 -0.117 0.000 0.930 464 S CB 0.555 63.688 63.200 -0.111 0.000 0.856 464 S HN 0.417 nan 8.310 nan 0.000 0.497 465 N N 3.426 121.919 118.700 -0.346 0.000 2.671 465 N HA -0.145 4.591 4.740 -0.005 0.000 0.261 465 N C -1.350 173.978 175.510 -0.303 0.000 1.053 465 N CA 1.475 54.300 53.050 -0.374 0.000 0.732 465 N CB -0.904 37.564 38.487 -0.032 0.000 0.887 465 N HN 0.684 nan 8.380 nan 0.000 0.546 466 D N -1.562 118.461 120.400 -0.629 0.000 2.851 466 D HA 0.498 5.134 4.640 -0.005 0.000 0.339 466 D C -1.181 174.903 176.300 -0.361 0.000 1.347 466 D CA -0.504 53.379 54.000 -0.196 0.000 0.888 466 D CB 0.101 40.886 40.800 -0.025 0.000 1.431 466 D HN 0.058 nan 8.370 nan 0.000 0.509 467 W N 0.273 121.575 121.300 0.004 0.000 2.587 467 W HA 0.707 5.363 4.660 -0.007 0.000 0.324 467 W C 0.517 177.041 176.519 0.008 0.000 1.040 467 W CA -0.477 56.881 57.345 0.022 0.000 1.222 467 W CB 1.692 31.178 29.460 0.043 0.000 1.381 467 W HN 0.642 nan 8.180 nan 0.000 0.483 468 R N 1.800 122.402 120.500 0.170 0.000 2.781 468 R HA 0.976 5.312 4.340 -0.005 0.000 0.268 468 R C -0.719 175.661 176.300 0.132 0.000 1.047 468 R CA -1.272 54.903 56.100 0.126 0.000 0.925 468 R CB 1.588 31.925 30.300 0.062 0.000 1.246 468 R HN 0.649 nan 8.270 nan 0.000 0.456 469 G N 0.261 109.126 108.800 0.108 0.000 2.616 469 G HA2 0.293 4.250 3.960 -0.005 0.000 0.294 469 G HA3 0.293 4.250 3.960 -0.005 0.000 0.294 469 G C -1.998 172.952 174.900 0.084 0.000 1.489 469 G CA -1.095 44.078 45.100 0.122 0.000 0.836 469 G HN 0.473 nan 8.290 nan 0.000 0.527 470 N N -0.152 118.596 118.700 0.081 0.000 2.420 470 N HA 0.505 5.241 4.740 -0.005 0.000 0.249 470 N C -0.366 175.165 175.510 0.035 0.000 1.033 470 N CA -0.198 52.883 53.050 0.052 0.000 0.944 470 N CB 2.003 40.513 38.487 0.039 0.000 1.113 470 N HN 0.337 nan 8.380 nan 0.000 0.502 471 V N 2.414 122.337 119.914 0.015 0.000 2.495 471 V HA 0.334 4.451 4.120 -0.005 0.000 0.298 471 V C -0.031 176.032 176.094 -0.052 0.000 1.031 471 V CA -0.985 61.301 62.300 -0.023 0.000 0.871 471 V CB 1.902 33.692 31.823 -0.054 0.000 0.988 471 V HN 0.283 nan 8.190 nan 0.000 0.432 472 V N 6.331 126.202 119.914 -0.071 0.000 2.405 472 V HA 0.297 4.413 4.120 -0.005 0.000 0.264 472 V C -0.001 175.994 176.094 -0.166 0.000 1.048 472 V CA -0.139 62.099 62.300 -0.102 0.000 0.966 472 V CB 0.638 32.410 31.823 -0.084 0.000 1.015 472 V HN 0.471 nan 8.190 nan 0.000 0.477 473 L N 7.446 128.551 121.223 -0.196 0.000 2.313 473 L HA 0.652 4.988 4.340 -0.005 0.000 0.268 473 L C -2.327 174.372 176.870 -0.285 0.000 1.010 473 L CA -2.421 52.266 54.840 -0.256 0.000 0.814 473 L CB 2.021 43.922 42.059 -0.262 0.000 1.304 473 L HN 0.350 nan 8.230 nan 0.000 0.441 474 P HA 0.186 nan 4.420 nan 0.000 0.282 474 P C -0.735 176.410 177.300 -0.258 0.000 1.274 474 P CA -0.373 62.542 63.100 -0.309 0.000 0.770 474 P CB 0.916 32.401 31.700 -0.359 0.000 0.867 475 A N 3.881 126.570 122.820 -0.219 0.000 2.462 475 A HA 0.095 4.412 4.320 -0.005 0.000 0.243 475 A C 0.764 178.244 177.584 -0.173 0.000 1.076 475 A CA -0.061 51.854 52.037 -0.204 0.000 0.773 475 A CB -0.730 18.175 19.000 -0.159 0.000 1.010 475 A HN 0.689 nan 8.150 nan 0.000 0.493 476 E N -0.443 119.653 120.200 -0.174 0.000 2.513 476 E HA -0.171 4.176 4.350 -0.005 0.000 0.257 476 E C -0.557 175.975 176.600 -0.113 0.000 1.098 476 E CA 0.587 56.912 56.400 -0.126 0.000 0.752 476 E CB -0.915 28.730 29.700 -0.091 0.000 1.324 476 E HN 0.573 nan 8.360 nan 0.000 0.403 477 R N 0.730 121.149 120.500 -0.136 0.000 2.621 477 R HA 0.343 4.680 4.340 -0.005 0.000 0.292 477 R C -0.241 176.016 176.300 -0.072 0.000 0.969 477 R CA -0.797 55.238 56.100 -0.109 0.000 0.887 477 R CB 0.971 31.181 30.300 -0.149 0.000 1.180 477 R HN 0.043 nan 8.270 nan 0.000 0.450 478 N N 3.781 122.467 118.700 -0.023 0.000 2.430 478 N HA 0.242 4.978 4.740 -0.005 0.000 0.265 478 N C 0.216 175.755 175.510 0.049 0.000 1.100 478 N CA 0.071 53.143 53.050 0.036 0.000 0.961 478 N CB 1.268 39.784 38.487 0.048 0.000 1.075 478 N HN 0.488 nan 8.380 nan 0.000 0.478 479 I N -1.506 119.134 120.570 0.116 0.000 2.846 479 I HA 0.582 4.748 4.170 -0.005 0.000 0.307 479 I C -0.616 175.638 176.117 0.228 0.000 1.053 479 I CA -0.846 60.531 61.300 0.128 0.000 1.050 479 I CB 2.316 40.377 38.000 0.101 0.000 1.239 479 I HN 0.201 nan 8.210 nan 0.000 0.439 480 E N 4.195 124.510 120.200 0.192 0.000 2.246 480 E HA 0.566 4.913 4.350 -0.005 0.000 0.266 480 E C -1.665 175.039 176.600 0.173 0.000 0.880 480 E CA -0.539 55.987 56.400 0.209 0.000 0.762 480 E CB 2.540 32.397 29.700 0.261 0.000 1.180 480 E HN 0.620 nan 8.360 nan 0.000 0.416 481 F N 0.251 120.201 119.950 -0.001 0.000 2.692 481 F HA 0.767 5.294 4.527 -0.000 0.000 0.320 481 F C -1.177 174.738 175.800 0.190 0.000 1.123 481 F CA -1.141 56.831 58.000 -0.046 0.000 0.961 481 F CB 1.850 40.786 39.000 -0.107 0.000 1.383 481 F HN 0.179 nan 8.300 nan 0.000 0.483 482 K N 1.061 121.721 120.400 0.433 0.000 2.557 482 K HA 0.737 5.054 4.320 -0.005 0.000 0.261 482 K C -1.627 175.280 176.600 0.511 0.000 0.932 482 K CA -0.676 55.845 56.287 0.389 0.000 0.829 482 K CB 2.306 35.122 32.500 0.527 0.000 1.358 482 K HN 1.118 nan 8.250 nan 0.000 0.430 483 A N 2.615 125.619 122.820 0.307 0.000 2.302 483 A HA 0.792 5.109 4.320 -0.005 0.000 0.285 483 A C -0.942 176.773 177.584 0.219 0.000 1.105 483 A CA -0.338 51.842 52.037 0.239 0.000 0.816 483 A CB -0.037 19.113 19.000 0.250 0.000 1.067 483 A HN 0.645 nan 8.150 nan 0.000 0.489 484 F N -0.847 119.111 119.950 0.013 0.000 2.654 484 F HA 0.737 5.261 4.527 -0.004 0.000 0.308 484 F C -1.185 174.602 175.800 -0.022 0.000 1.108 484 F CA -1.291 56.614 58.000 -0.159 0.000 0.957 484 F CB 0.940 39.272 39.000 -1.113 0.000 1.309 484 F HN 0.402 nan 8.300 nan 0.000 0.446 485 I N 2.588 123.258 120.570 0.167 0.000 2.428 485 I HA 0.384 4.551 4.170 -0.005 0.000 0.296 485 I C -0.497 175.654 176.117 0.057 0.000 0.985 485 I CA -0.741 60.514 61.300 -0.075 0.000 1.260 485 I CB 1.847 39.752 38.000 -0.158 0.000 1.389 485 I HN 0.681 nan 8.210 nan 0.000 0.484 486 K N 5.545 125.954 120.400 0.016 0.000 2.535 486 K HA 0.370 4.686 4.320 -0.005 0.000 0.253 486 K C -0.328 176.292 176.600 0.032 0.000 0.953 486 K CA -0.482 55.864 56.287 0.099 0.000 0.863 486 K CB 1.274 33.896 32.500 0.204 0.000 1.111 486 K HN 0.776 nan 8.250 nan 0.000 0.431 487 S N 2.635 118.345 115.700 0.017 0.000 2.608 487 S HA 0.047 4.514 4.470 -0.005 0.000 0.261 487 S C 1.217 175.827 174.600 0.017 0.000 1.314 487 S CA -0.504 57.697 58.200 0.001 0.000 0.992 487 S CB 1.389 64.588 63.200 -0.001 0.000 0.935 487 S HN 0.748 nan 8.310 nan 0.000 0.564 488 K N 1.620 122.026 120.400 0.011 0.000 2.071 488 K HA -0.238 4.079 4.320 -0.005 0.000 0.217 488 K C 1.103 177.717 176.600 0.023 0.000 1.054 488 K CA 2.411 58.709 56.287 0.019 0.000 0.937 488 K CB -1.068 31.440 32.500 0.012 0.000 0.719 488 K HN 0.876 nan 8.250 nan 0.000 0.454 489 D N -1.050 119.360 120.400 0.016 0.000 2.355 489 D HA 0.065 4.702 4.640 -0.005 0.000 0.253 489 D C 0.799 177.108 176.300 0.015 0.000 1.187 489 D CA 0.769 54.778 54.000 0.015 0.000 0.900 489 D CB -0.813 39.994 40.800 0.011 0.000 0.915 489 D HN 0.441 nan 8.370 nan 0.000 0.516 490 G N -0.064 108.748 108.800 0.021 0.000 2.225 490 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.267 490 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.267 490 G C 0.089 174.993 174.900 0.007 0.000 1.024 490 G CA 0.559 45.669 45.100 0.016 0.000 0.784 490 G HN 0.466 nan 8.290 nan 0.000 0.507 491 T N 0.182 114.744 114.554 0.014 0.000 2.767 491 T HA 0.465 4.812 4.350 -0.005 0.000 0.284 491 T C 0.658 175.369 174.700 0.018 0.000 0.973 491 T CA -0.538 61.568 62.100 0.009 0.000 0.996 491 T CB 2.254 71.128 68.868 0.011 0.000 0.927 491 T HN 0.394 nan 8.240 nan 0.000 0.456 492 V N 5.102 125.016 119.914 0.000 0.000 2.416 492 V HA 0.012 4.129 4.120 -0.005 0.000 0.267 492 V C 1.777 177.884 176.094 0.021 0.000 1.007 492 V CA 0.341 62.634 62.300 -0.012 0.000 1.102 492 V CB -0.186 31.559 31.823 -0.129 0.000 1.035 492 V HN 0.858 nan 8.190 nan 0.000 0.473 493 K N 3.804 124.229 120.400 0.042 0.000 2.007 493 K HA -0.023 4.294 4.320 -0.005 0.000 0.206 493 K C 0.747 177.409 176.600 0.104 0.000 1.047 493 K CA 1.389 57.708 56.287 0.054 0.000 0.937 493 K CB 0.261 32.777 32.500 0.027 0.000 0.718 493 K HN 0.816 nan 8.250 nan 0.000 0.438 494 S N -2.329 113.456 115.700 0.142 0.000 2.611 494 S HA 0.393 4.859 4.470 -0.005 0.000 0.268 494 S C -1.640 173.129 174.600 0.281 0.000 1.156 494 S CA -1.218 57.143 58.200 0.267 0.000 0.817 494 S CB 0.470 63.887 63.200 0.361 0.000 1.122 494 S HN 0.282 nan 8.310 nan 0.000 0.466 495 W N 1.008 122.419 121.300 0.185 0.000 2.655 495 W HA 0.618 5.274 4.660 -0.006 0.000 0.358 495 W C 0.348 176.483 176.519 -0.640 0.000 1.100 495 W CA -0.560 56.764 57.345 -0.034 0.000 1.195 495 W CB 1.110 30.527 29.460 -0.072 0.000 1.403 495 W HN 0.902 nan 8.180 nan 0.000 0.589 496 Q N 0.675 120.049 119.800 -0.711 0.000 2.332 496 Q HA 0.062 4.399 4.340 -0.005 0.000 0.263 496 Q C 0.882 176.520 176.000 -0.604 0.000 0.979 496 Q CA 0.508 55.523 55.803 -1.314 0.000 0.885 496 Q CB 1.263 29.595 28.738 -0.677 0.000 1.218 496 Q HN 0.649 nan 8.270 nan 0.000 0.405 497 T N 3.820 118.014 114.554 -0.601 0.000 2.597 497 T HA -0.129 4.218 4.350 -0.005 0.000 0.267 497 T C 0.930 175.517 174.700 -0.188 0.000 1.053 497 T CA 1.564 63.502 62.100 -0.271 0.000 1.165 497 T CB -0.177 68.589 68.868 -0.171 0.000 0.863 497 T HN 0.663 nan 8.240 nan 0.000 0.427 498 I N 0.148 120.613 120.570 -0.175 0.000 2.460 498 I HA 0.500 4.667 4.170 -0.005 0.000 0.298 498 I C -0.260 175.774 176.117 -0.138 0.000 0.989 498 I CA -1.297 59.923 61.300 -0.133 0.000 1.173 498 I CB 1.182 39.124 38.000 -0.098 0.000 1.338 498 I HN 0.126 nan 8.210 nan 0.000 0.456 499 Q N 3.981 123.708 119.800 -0.122 0.000 2.296 499 Q HA 0.153 4.490 4.340 -0.005 0.000 0.262 499 Q C -0.680 175.212 176.000 -0.180 0.000 0.981 499 Q CA -0.443 55.294 55.803 -0.109 0.000 0.905 499 Q CB 0.881 29.583 28.738 -0.059 0.000 1.186 499 Q HN 0.534 nan 8.270 nan 0.000 0.399 500 Q N 1.472 121.042 119.800 -0.383 0.000 2.260 500 Q HA 0.458 4.794 4.340 -0.005 0.000 0.238 500 Q C -0.784 174.871 176.000 -0.576 0.000 0.948 500 Q CA -0.138 55.296 55.803 -0.615 0.000 0.895 500 Q CB 1.934 29.928 28.738 -1.241 0.000 1.218 500 Q HN 0.662 nan 8.270 nan 0.000 0.470 501 S N -0.039 115.495 115.700 -0.276 0.000 2.638 501 S HA 0.638 5.105 4.470 -0.005 0.000 0.274 501 S C -1.587 173.184 174.600 0.286 0.000 1.157 501 S CA -0.737 57.490 58.200 0.045 0.000 0.826 501 S CB 1.692 64.942 63.200 0.082 0.000 1.139 501 S HN 0.568 nan 8.310 nan 0.000 0.474 502 W N 2.577 123.998 121.300 0.201 0.000 2.680 502 W HA 0.409 5.066 4.660 -0.006 0.000 0.305 502 W C -1.841 174.742 176.519 0.106 0.000 1.033 502 W CA -1.069 56.395 57.345 0.199 0.000 1.242 502 W CB 0.353 29.930 29.460 0.194 0.000 1.138 502 W HN 0.636 nan 8.180 nan 0.000 0.358 503 N N 5.519 124.427 118.700 0.347 0.000 2.707 503 N HA 0.402 5.139 4.740 -0.005 0.000 0.235 503 N C -2.150 173.438 175.510 0.130 0.000 1.028 503 N CA -0.725 52.434 53.050 0.182 0.000 0.906 503 N CB 1.603 40.173 38.487 0.138 0.000 1.131 503 N HN 0.050 nan 8.380 nan 0.000 0.509 504 P HA 0.381 nan 4.420 nan 0.000 0.317 504 P C -0.649 176.564 177.300 -0.145 0.000 1.301 504 P CA -0.612 62.486 63.100 -0.004 0.000 0.799 504 P CB 1.007 32.679 31.700 -0.046 0.000 1.344 505 V N 2.744 122.477 119.914 -0.301 0.000 2.508 505 V HA 0.167 4.284 4.120 -0.005 0.000 0.281 505 V C -1.740 174.036 176.094 -0.530 0.000 1.041 505 V CA -1.172 60.703 62.300 -0.709 0.000 1.016 505 V CB 0.280 31.743 31.823 -0.599 0.000 0.984 505 V HN 0.583 nan 8.190 nan 0.000 0.478 506 P HA 0.131 nan 4.420 nan 0.000 0.271 506 P C 0.842 177.993 177.300 -0.248 0.000 1.216 506 P CA -0.133 62.787 63.100 -0.300 0.000 0.776 506 P CB 1.230 32.809 31.700 -0.201 0.000 0.881 507 L N 0.316 121.448 121.223 -0.152 0.000 2.093 507 L HA -0.098 4.239 4.340 -0.005 0.000 0.208 507 L C 1.493 178.305 176.870 -0.098 0.000 1.085 507 L CA 1.439 56.208 54.840 -0.118 0.000 0.755 507 L CB -0.544 41.469 42.059 -0.076 0.000 0.904 507 L HN 0.388 nan 8.230 nan 0.000 0.435 508 K N 0.385 120.739 120.400 -0.076 0.000 2.249 508 K HA 0.097 4.413 4.320 -0.005 0.000 0.280 508 K C -0.390 176.181 176.600 -0.048 0.000 1.033 508 K CA -0.075 56.184 56.287 -0.046 0.000 0.946 508 K CB 0.921 33.409 32.500 -0.019 0.000 1.005 508 K HN -0.180 nan 8.250 nan 0.000 0.469 509 T N 4.266 118.802 114.554 -0.030 0.000 2.793 509 T HA 0.108 4.455 4.350 -0.005 0.000 0.289 509 T C -0.120 174.603 174.700 0.038 0.000 0.956 509 T CA 0.289 62.384 62.100 -0.009 0.000 1.177 509 T CB 0.095 68.962 68.868 -0.002 0.000 0.897 509 T HN 0.734 nan 8.240 nan 0.000 0.533 510 T N 1.995 116.604 114.554 0.092 0.000 2.511 510 T HA 0.666 5.013 4.350 -0.005 0.000 0.209 510 T C -0.319 174.528 174.700 0.244 0.000 0.805 510 T CA -0.721 61.478 62.100 0.166 0.000 1.241 510 T CB 1.158 70.160 68.868 0.224 0.000 1.785 510 T HN 0.429 nan 8.240 nan 0.000 0.492 511 S N 0.031 115.926 115.700 0.326 0.000 2.537 511 S HA 0.431 4.898 4.470 -0.005 0.000 0.271 511 S C -1.878 172.807 174.600 0.141 0.000 1.148 511 S CA -0.687 57.671 58.200 0.262 0.000 0.868 511 S CB 1.451 64.726 63.200 0.125 0.000 1.115 511 S HN 0.699 nan 8.310 nan 0.000 0.461 512 H N 2.330 121.299 119.070 -0.168 0.000 2.697 512 H HA 0.387 4.938 4.556 -0.008 0.000 0.270 512 H C -0.927 174.293 175.328 -0.180 0.000 1.188 512 H CA -0.088 55.675 56.048 -0.475 0.000 1.322 512 H CB 0.163 29.252 29.762 -1.121 0.000 1.405 512 H HN 0.512 nan 8.280 nan 0.000 0.502 513 T N 3.313 117.739 114.554 -0.213 0.000 2.856 513 T HA 0.392 4.739 4.350 -0.005 0.000 0.292 513 T C -0.072 174.558 174.700 -0.116 0.000 0.980 513 T CA -0.349 61.703 62.100 -0.080 0.000 1.091 513 T CB 0.871 69.702 68.868 -0.063 0.000 0.936 513 T HN 0.674 nan 8.240 nan 0.000 0.503 514 S N 1.147 116.866 115.700 0.032 0.000 2.588 514 S HA 0.754 5.221 4.470 -0.005 0.000 0.269 514 S C -0.729 173.934 174.600 0.104 0.000 1.157 514 S CA -1.141 57.087 58.200 0.047 0.000 0.824 514 S CB 1.577 64.845 63.200 0.114 0.000 1.126 514 S HN 0.780 nan 8.310 nan 0.000 0.464 515 S N 0.843 116.601 115.700 0.096 0.000 2.578 515 S HA 0.634 5.101 4.470 -0.005 0.000 0.301 515 S C -0.178 174.541 174.600 0.198 0.000 1.091 515 S CA -0.873 57.420 58.200 0.155 0.000 1.032 515 S CB 0.952 64.224 63.200 0.119 0.000 1.064 515 S HN 0.875 nan 8.310 nan 0.000 0.508 516 W N 0.000 121.334 121.300 0.056 0.000 2.388 516 W HA 0.000 4.655 4.660 -0.008 0.000 0.303 516 W CA 0.000 57.376 57.345 0.052 0.000 1.226 516 W CB 0.000 29.488 29.460 0.046 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535