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 5bca_1_D 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 0.000 177.589 177.584 0.009 0.000 1.274 1 A CA 0.000 51.990 52.037 -0.079 0.000 0.836 1 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 2 V N 2.006 121.864 119.914 -0.092 0.000 2.963 2 V HA 0.209 4.330 4.120 0.001 0.000 0.306 2 V C 0.767 176.874 176.094 0.021 0.000 1.077 2 V CA 1.046 63.329 62.300 -0.028 0.000 1.124 2 V CB 0.489 32.199 31.823 -0.188 0.000 0.987 2 V HN 1.053 nan 8.190 nan 0.000 0.487 3 N N 2.824 121.557 118.700 0.055 0.000 2.714 3 N HA -0.210 4.531 4.740 0.001 0.000 0.250 3 N C 0.961 176.530 175.510 0.097 0.000 1.117 3 N CA 1.432 54.525 53.050 0.071 0.000 0.719 3 N CB -1.431 37.088 38.487 0.053 0.000 1.081 3 N HN 1.506 nan 8.380 nan 0.000 0.557 4 G N -0.910 107.966 108.800 0.128 0.000 2.153 4 G HA2 -0.387 3.573 3.960 0.001 0.000 0.252 4 G HA3 -0.387 3.573 3.960 0.001 0.000 0.252 4 G C 0.271 175.230 174.900 0.099 0.000 0.994 4 G CA 1.291 46.487 45.100 0.160 0.000 0.698 4 G HN 0.820 nan 8.290 nan 0.000 0.521 5 K N -0.554 119.887 120.400 0.069 0.000 2.502 5 K HA 0.821 5.142 4.320 0.001 0.000 0.252 5 K C 0.975 177.587 176.600 0.020 0.000 1.043 5 K CA -0.529 55.785 56.287 0.045 0.000 0.999 5 K CB 0.817 33.337 32.500 0.033 0.000 1.343 5 K HN 0.438 nan 8.250 nan 0.000 0.513 6 G N -0.158 108.641 108.800 -0.002 0.000 2.971 6 G HA2 0.378 4.339 3.960 0.001 0.000 0.235 6 G HA3 0.378 4.339 3.960 0.001 0.000 0.235 6 G C -0.281 174.598 174.900 -0.035 0.000 1.351 6 G CA -1.181 43.898 45.100 -0.035 0.000 1.039 6 G HN 0.751 nan 8.290 nan 0.000 0.563 7 M N 0.146 119.705 119.600 -0.069 0.000 2.240 7 M HA 0.212 4.693 4.480 0.001 0.000 0.317 7 M C -0.140 176.164 176.300 0.007 0.000 1.087 7 M CA -0.207 55.071 55.300 -0.038 0.000 1.176 7 M CB 0.395 32.887 32.600 -0.180 0.000 1.439 7 M HN 0.405 nan 8.290 nan 0.000 0.452 8 N N 3.645 122.396 118.700 0.085 0.000 2.416 8 N HA 0.150 4.891 4.740 0.001 0.000 0.265 8 N C -1.819 173.745 175.510 0.089 0.000 1.195 8 N CA -1.608 51.502 53.050 0.100 0.000 0.943 8 N CB 0.675 39.258 38.487 0.159 0.000 1.115 8 N HN 0.482 nan 8.380 nan 0.000 0.481 9 P HA -0.121 nan 4.420 nan 0.000 0.220 9 P C -0.127 177.191 177.300 0.030 0.000 1.144 9 P CA 1.182 64.292 63.100 0.017 0.000 0.800 9 P CB 0.457 32.156 31.700 -0.002 0.000 0.772 10 D N -1.918 118.508 120.400 0.045 0.000 2.342 10 D HA 0.010 4.651 4.640 0.001 0.000 0.221 10 D C 0.591 176.897 176.300 0.009 0.000 1.101 10 D CA -0.492 53.514 54.000 0.010 0.000 0.837 10 D CB -0.775 40.026 40.800 0.000 0.000 0.938 10 D HN 0.214 nan 8.370 nan 0.000 0.508 11 Y N 2.338 122.627 120.300 -0.018 0.000 2.903 11 Y HA -0.073 4.478 4.550 0.001 0.000 0.338 11 Y C 0.052 175.899 175.900 -0.089 0.000 1.265 11 Y CA 0.417 58.521 58.100 0.008 0.000 1.532 11 Y CB 0.341 38.859 38.460 0.096 0.000 1.293 11 Y HN -0.291 nan 8.280 nan 0.000 0.609 12 K N 3.943 123.635 120.400 -1.180 0.000 2.527 12 K HA 0.773 5.093 4.320 0.001 0.000 0.260 12 K C -1.538 174.259 176.600 -1.338 0.000 0.937 12 K CA -0.949 54.693 56.287 -1.075 0.000 0.826 12 K CB 1.984 33.993 32.500 -0.819 0.000 1.359 12 K HN 0.690 nan 8.250 nan 0.000 0.434 13 A N 1.845 124.177 122.820 -0.815 0.000 2.325 13 A HA 0.777 5.098 4.320 0.001 0.000 0.333 13 A C -1.578 175.896 177.584 -0.184 0.000 1.155 13 A CA -0.385 51.429 52.037 -0.372 0.000 0.814 13 A CB 0.413 19.433 19.000 0.034 0.000 1.206 13 A HN 0.560 nan 8.150 nan 0.000 0.482 14 Y N 0.078 120.580 120.300 0.337 0.000 2.553 14 Y HA 0.604 5.155 4.550 0.001 0.000 0.347 14 Y C -0.552 175.432 175.900 0.140 0.000 1.019 14 Y CA -1.218 57.053 58.100 0.285 0.000 1.032 14 Y CB 1.796 40.330 38.460 0.123 0.000 1.284 14 Y HN 0.566 nan 8.280 nan 0.000 0.466 15 L N 3.203 124.442 121.223 0.026 0.000 2.307 15 L HA 0.595 4.936 4.340 0.001 0.000 0.284 15 L C -0.520 176.285 176.870 -0.107 0.000 1.023 15 L CA -0.969 53.646 54.840 -0.374 0.000 0.810 15 L CB 1.209 42.757 42.059 -0.851 0.000 1.231 15 L HN 0.744 nan 8.230 nan 0.000 0.423 16 M N 4.892 124.444 119.600 -0.079 0.000 2.185 16 M HA 0.586 5.067 4.480 0.001 0.000 0.357 16 M C 0.118 176.445 176.300 0.045 0.000 1.260 16 M CA 0.145 55.429 55.300 -0.026 0.000 1.124 16 M CB 0.778 33.353 32.600 -0.041 0.000 1.600 16 M HN 0.744 nan 8.290 nan 0.000 0.467 17 A N 6.592 129.441 122.820 0.048 0.000 2.346 17 A HA 0.628 4.948 4.320 0.001 0.000 0.255 17 A C -2.402 175.193 177.584 0.018 0.000 1.113 17 A CA -1.082 50.999 52.037 0.074 0.000 0.798 17 A CB -0.988 18.050 19.000 0.062 0.000 1.073 17 A HN 0.706 nan 8.150 nan 0.000 0.502 18 P HA 0.145 nan 4.420 nan 0.000 0.274 18 P C 0.578 177.890 177.300 0.021 0.000 1.264 18 P CA -0.398 62.681 63.100 -0.035 0.000 0.795 18 P CB 0.361 31.980 31.700 -0.135 0.000 1.064 19 L N -0.992 120.262 121.223 0.051 0.000 2.357 19 L HA 0.180 4.521 4.340 0.001 0.000 0.211 19 L C 0.782 177.706 176.870 0.090 0.000 1.075 19 L CA 1.366 56.275 54.840 0.115 0.000 0.830 19 L CB -0.681 41.432 42.059 0.090 0.000 0.996 19 L HN 0.191 nan 8.230 nan 0.000 0.467 20 K N 0.997 121.405 120.400 0.014 0.000 2.202 20 K HA 0.137 4.458 4.320 0.001 0.000 0.264 20 K C 0.034 176.609 176.600 -0.041 0.000 1.010 20 K CA -0.547 55.721 56.287 -0.032 0.000 0.940 20 K CB 0.560 33.028 32.500 -0.055 0.000 0.983 20 K HN -0.068 nan 8.250 nan 0.000 0.475 21 K N 2.296 122.634 120.400 -0.104 0.000 2.414 21 K HA -0.009 4.312 4.320 0.001 0.000 0.272 21 K C 1.312 177.827 176.600 -0.141 0.000 0.993 21 K CA -0.183 56.010 56.287 -0.157 0.000 0.964 21 K CB 0.366 32.542 32.500 -0.540 0.000 0.925 21 K HN 0.469 nan 8.250 nan 0.000 0.487 22 I N 2.965 123.467 120.570 -0.113 0.000 2.194 22 I HA -0.203 3.968 4.170 0.001 0.000 0.246 22 I C -0.605 175.184 176.117 -0.547 0.000 1.093 22 I CA 1.487 62.510 61.300 -0.462 0.000 1.355 22 I CB -2.007 35.425 38.000 -0.946 0.000 1.046 22 I HN 0.508 nan 8.210 nan 0.000 0.413 23 P HA -0.106 nan 4.420 nan 0.000 0.234 23 P C 1.100 178.261 177.300 -0.233 0.000 1.167 23 P CA 1.206 64.047 63.100 -0.431 0.000 0.763 23 P CB -0.092 31.449 31.700 -0.266 0.000 0.835 24 E N -0.858 119.225 120.200 -0.195 0.000 2.415 24 E HA 0.018 4.369 4.350 0.001 0.000 0.197 24 E C 1.579 178.115 176.600 -0.107 0.000 1.007 24 E CA 0.271 56.593 56.400 -0.129 0.000 0.890 24 E CB 0.185 29.818 29.700 -0.111 0.000 0.891 24 E HN 0.107 nan 8.360 nan 0.000 0.496 25 V N 0.089 119.931 119.914 -0.121 0.000 2.795 25 V HA 0.046 4.167 4.120 0.001 0.000 0.243 25 V C 1.308 177.378 176.094 -0.041 0.000 1.069 25 V CA 1.347 63.611 62.300 -0.061 0.000 1.089 25 V CB 0.070 31.874 31.823 -0.032 0.000 0.756 25 V HN 0.278 nan 8.190 nan 0.000 0.471 26 T N -0.473 114.030 114.554 -0.086 0.000 2.626 26 T HA 0.437 4.788 4.350 0.001 0.000 0.240 26 T C -1.024 173.598 174.700 -0.131 0.000 0.943 26 T CA -0.078 61.995 62.100 -0.045 0.000 1.268 26 T CB 1.024 69.935 68.868 0.071 0.000 1.702 26 T HN 0.478 nan 8.240 nan 0.000 0.442 27 N N -1.220 117.416 118.700 -0.105 0.000 2.455 27 N HA 0.434 5.175 4.740 0.001 0.000 0.278 27 N C -0.194 175.251 175.510 -0.108 0.000 1.291 27 N CA -1.179 51.772 53.050 -0.167 0.000 0.780 27 N CB 0.479 38.947 38.487 -0.031 0.000 1.520 27 N HN 0.690 nan 8.380 nan 0.000 0.486 28 W N -0.233 121.117 121.300 0.083 0.000 2.342 28 W HA -0.056 4.605 4.660 0.001 0.000 0.297 28 W C 1.441 178.057 176.519 0.162 0.000 1.213 28 W CA 0.860 58.275 57.345 0.116 0.000 1.251 28 W CB -0.071 29.430 29.460 0.069 0.000 1.136 28 W HN 0.630 nan 8.180 nan 0.000 0.526 29 E N -0.539 119.846 120.200 0.309 0.000 2.106 29 E HA -0.137 4.214 4.350 0.001 0.000 0.192 29 E C 2.055 178.762 176.600 0.179 0.000 0.984 29 E CA 1.983 58.509 56.400 0.210 0.000 0.806 29 E CB -0.904 28.883 29.700 0.145 0.000 0.750 29 E HN 0.098 nan 8.360 nan 0.000 0.458 30 T N 0.688 115.345 114.554 0.172 0.000 2.777 30 T HA -0.111 4.240 4.350 0.001 0.000 0.266 30 T C 1.508 176.344 174.700 0.227 0.000 1.040 30 T CA 0.921 63.119 62.100 0.164 0.000 1.141 30 T CB -0.451 68.501 68.868 0.140 0.000 0.868 30 T HN 0.146 nan 8.240 nan 0.000 0.444 31 F N 2.195 122.210 119.950 0.108 0.000 2.120 31 F HA -0.143 4.385 4.527 0.001 0.000 0.300 31 F C 2.197 178.073 175.800 0.126 0.000 1.095 31 F CA 1.433 59.511 58.000 0.131 0.000 1.249 31 F CB -0.343 38.698 39.000 0.068 0.000 0.995 31 F HN 0.195 nan 8.300 nan 0.000 0.480 32 E N -0.355 119.904 120.200 0.099 0.000 2.106 32 E HA -0.197 4.154 4.350 0.001 0.000 0.192 32 E C 1.984 178.561 176.600 -0.038 0.000 0.984 32 E CA 1.055 57.431 56.400 -0.040 0.000 0.806 32 E CB -0.191 29.554 29.700 0.076 0.000 0.750 32 E HN 0.403 nan 8.360 nan 0.000 0.458 33 N N 1.041 119.762 118.700 0.035 0.000 2.142 33 N HA -0.128 4.612 4.740 0.001 0.000 0.186 33 N C 1.288 176.829 175.510 0.052 0.000 1.023 33 N CA 0.990 54.066 53.050 0.043 0.000 0.852 33 N CB -0.221 38.294 38.487 0.048 0.000 0.998 33 N HN 0.129 nan 8.380 nan 0.000 0.424 34 D N 1.112 121.542 120.400 0.050 0.000 2.133 34 D HA -0.116 4.525 4.640 0.001 0.000 0.195 34 D C 2.113 178.396 176.300 -0.028 0.000 0.997 34 D CA 0.509 54.538 54.000 0.049 0.000 0.840 34 D CB -0.281 40.566 40.800 0.079 0.000 0.947 34 D HN 0.246 nan 8.370 nan 0.000 0.452 35 L N 0.204 121.325 121.223 -0.171 0.000 2.056 35 L HA -0.102 4.238 4.340 0.001 0.000 0.207 35 L C 2.562 179.392 176.870 -0.066 0.000 1.078 35 L CA 1.017 55.735 54.840 -0.204 0.000 0.749 35 L CB -0.241 41.598 42.059 -0.367 0.000 0.901 35 L HN -0.008 nan 8.230 nan 0.000 0.433 36 R N -0.815 119.678 120.500 -0.012 0.000 2.120 36 R HA -0.217 4.124 4.340 0.001 0.000 0.234 36 R C 2.164 178.545 176.300 0.135 0.000 1.123 36 R CA 1.635 57.762 56.100 0.046 0.000 0.975 36 R CB -0.343 29.993 30.300 0.060 0.000 0.866 36 R HN 0.569 nan 8.270 nan 0.000 0.446 37 W N 1.118 122.389 121.300 -0.048 0.000 2.418 37 W HA -0.094 4.567 4.660 0.001 0.000 0.292 37 W C 1.764 178.282 176.519 -0.002 0.000 1.213 37 W CA 1.023 58.351 57.345 -0.029 0.000 1.283 37 W CB -0.027 29.405 29.460 -0.046 0.000 1.119 37 W HN 0.104 nan 8.180 nan 0.000 0.542 38 A N 1.132 123.911 122.820 -0.068 0.000 1.902 38 A HA -0.258 4.063 4.320 0.001 0.000 0.217 38 A C 1.990 179.598 177.584 0.041 0.000 1.181 38 A CA 2.038 54.035 52.037 -0.065 0.000 0.623 38 A CB -0.985 17.950 19.000 -0.107 0.000 0.818 38 A HN 0.348 nan 8.150 nan 0.000 0.443 39 K N -0.895 119.512 120.400 0.011 0.000 2.097 39 K HA -0.219 4.101 4.320 0.001 0.000 0.206 39 K C 2.209 178.785 176.600 -0.041 0.000 1.049 39 K CA 1.699 57.993 56.287 0.012 0.000 0.933 39 K CB -0.122 32.378 32.500 -0.001 0.000 0.717 39 K HN 0.490 nan 8.250 nan 0.000 0.442 40 Q N 0.438 120.188 119.800 -0.084 0.000 2.291 40 Q HA -0.028 4.313 4.340 0.001 0.000 0.205 40 Q C 0.782 176.640 176.000 -0.237 0.000 0.970 40 Q CA 1.133 56.862 55.803 -0.124 0.000 0.876 40 Q CB 0.232 28.917 28.738 -0.089 0.000 0.935 40 Q HN 0.283 nan 8.270 nan 0.000 0.455 41 N N -1.428 117.080 118.700 -0.319 0.000 2.268 41 N HA 0.115 4.855 4.740 0.001 0.000 0.204 41 N C 0.248 175.598 175.510 -0.266 0.000 1.124 41 N CA 0.766 53.619 53.050 -0.328 0.000 0.838 41 N CB 1.247 39.469 38.487 -0.442 0.000 0.994 41 N HN 0.374 nan 8.380 nan 0.000 0.489 42 G N 0.698 109.384 108.800 -0.189 0.000 2.175 42 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 42 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 42 G C 0.032 174.840 174.900 -0.153 0.000 0.982 42 G CA -0.375 44.630 45.100 -0.158 0.000 0.641 42 G HN 0.219 nan 8.290 nan 0.000 0.527 43 F N -0.682 119.293 119.950 0.042 0.000 2.496 43 F HA 0.530 5.058 4.527 0.001 0.000 0.344 43 F C 1.347 177.213 175.800 0.110 0.000 1.155 43 F CA 0.467 58.506 58.000 0.066 0.000 1.302 43 F CB 0.510 39.502 39.000 -0.014 0.000 1.159 43 F HN 0.069 nan 8.300 nan 0.000 0.595 44 Y N 0.981 121.438 120.300 0.261 0.000 2.589 44 Y HA 0.648 5.199 4.550 0.001 0.000 0.271 44 Y C 0.152 176.190 175.900 0.231 0.000 1.107 44 Y CA 0.507 58.720 58.100 0.189 0.000 1.273 44 Y CB 0.399 38.956 38.460 0.161 0.000 1.266 44 Y HN 0.503 nan 8.280 nan 0.000 0.504 45 A N 0.503 123.554 122.820 0.384 0.000 2.612 45 A HA 0.522 4.843 4.320 0.001 0.000 0.293 45 A C -2.079 175.631 177.584 0.209 0.000 1.075 45 A CA -0.606 51.552 52.037 0.202 0.000 0.680 45 A CB 0.628 19.749 19.000 0.201 0.000 1.279 45 A HN 0.236 nan 8.150 nan 0.000 0.411 46 I N 1.261 121.897 120.570 0.109 0.000 2.412 46 I HA 0.595 4.766 4.170 0.001 0.000 0.296 46 I C -0.530 175.633 176.117 0.078 0.000 0.987 46 I CA -0.082 61.287 61.300 0.116 0.000 1.180 46 I CB 1.791 39.908 38.000 0.196 0.000 1.340 46 I HN 0.671 nan 8.210 nan 0.000 0.455 47 T N 6.704 121.269 114.554 0.019 0.000 2.859 47 T HA 0.582 4.933 4.350 0.001 0.000 0.281 47 T C -0.783 173.825 174.700 -0.153 0.000 1.005 47 T CA -0.446 61.607 62.100 -0.077 0.000 1.025 47 T CB 1.889 70.718 68.868 -0.064 0.000 0.977 47 T HN 0.459 nan 8.240 nan 0.000 0.458 48 V N 1.684 121.383 119.914 -0.358 0.000 3.178 48 V HA 0.439 4.559 4.120 0.001 0.000 0.302 48 V C -1.769 173.836 176.094 -0.814 0.000 1.262 48 V CA -0.938 61.025 62.300 -0.562 0.000 1.030 48 V CB 2.543 33.849 31.823 -0.862 0.000 1.074 48 V HN 0.873 nan 8.190 nan 0.000 0.438 49 D N 3.708 123.626 120.400 -0.803 0.000 2.225 49 D HA 0.406 5.047 4.640 0.001 0.000 0.248 49 D C -1.296 174.338 176.300 -1.110 0.000 1.096 49 D CA 0.261 53.641 54.000 -1.034 0.000 0.863 49 D CB 1.469 41.522 40.800 -1.246 0.000 1.156 49 D HN 0.351 nan 8.370 nan 0.000 0.450 50 F N 1.783 121.318 119.950 -0.691 0.000 2.366 50 F HA 0.261 4.789 4.527 0.001 0.000 0.366 50 F C -0.139 175.431 175.800 -0.384 0.000 1.096 50 F CA -1.301 56.488 58.000 -0.352 0.000 1.060 50 F CB 0.298 39.237 39.000 -0.103 0.000 1.282 50 F HN 0.196 nan 8.300 nan 0.000 0.450 51 W N 3.239 124.641 121.300 0.170 0.000 2.251 51 W HA 0.026 4.687 4.660 0.001 0.000 0.327 51 W C 1.110 177.743 176.519 0.190 0.000 1.361 51 W CA -0.555 56.839 57.345 0.082 0.000 1.234 51 W CB 0.477 29.948 29.460 0.019 0.000 1.212 51 W HN 0.671 nan 8.180 nan 0.000 0.557 52 W N 2.847 124.254 121.300 0.180 0.000 2.338 52 W HA -0.134 4.527 4.660 0.001 0.000 0.304 52 W C 1.951 178.546 176.519 0.126 0.000 1.212 52 W CA 2.084 59.500 57.345 0.118 0.000 1.264 52 W CB -1.003 28.476 29.460 0.032 0.000 1.142 52 W HN 0.451 nan 8.180 nan 0.000 0.512 53 G N -0.317 108.584 108.800 0.168 0.000 2.498 53 G HA2 -0.245 3.716 3.960 0.001 0.000 0.219 53 G HA3 -0.245 3.716 3.960 0.001 0.000 0.219 53 G C 1.153 176.089 174.900 0.060 0.000 1.119 53 G CA 1.275 46.355 45.100 -0.033 0.000 0.766 53 G HN 0.240 nan 8.290 nan 0.000 0.552 54 D N -0.185 120.323 120.400 0.180 0.000 2.323 54 D HA 0.103 4.744 4.640 0.001 0.000 0.218 54 D C 2.579 178.961 176.300 0.137 0.000 0.973 54 D CA 0.328 54.418 54.000 0.151 0.000 0.890 54 D CB -0.017 40.910 40.800 0.211 0.000 1.011 54 D HN 0.284 nan 8.370 nan 0.000 0.499 55 M N -0.219 119.499 119.600 0.197 0.000 2.506 55 M HA 0.061 4.542 4.480 0.001 0.000 0.260 55 M C 0.747 177.145 176.300 0.164 0.000 1.104 55 M CA 0.834 56.183 55.300 0.082 0.000 1.112 55 M CB 0.528 33.202 32.600 0.123 0.000 1.401 55 M HN -0.177 nan 8.290 nan 0.000 0.473 56 E N 0.251 120.635 120.200 0.306 0.000 3.843 56 E HA 0.070 4.421 4.350 0.001 0.000 0.189 56 E C 0.748 177.512 176.600 0.274 0.000 1.013 56 E CA -0.079 56.521 56.400 0.333 0.000 1.395 56 E CB 0.644 30.746 29.700 0.671 0.000 1.136 56 E HN 0.175 nan 8.360 nan 0.000 0.444 57 K N 0.354 120.846 120.400 0.153 0.000 1.978 57 K HA -0.140 4.181 4.320 0.001 0.000 0.214 57 K C 1.222 177.947 176.600 0.208 0.000 1.049 57 K CA 2.172 58.535 56.287 0.126 0.000 0.939 57 K CB 0.074 32.611 32.500 0.061 0.000 0.721 57 K HN 0.176 nan 8.250 nan 0.000 0.441 58 N N -0.885 117.865 118.700 0.084 0.000 2.354 58 N HA 0.031 4.772 4.740 0.001 0.000 0.179 58 N C 0.377 175.783 175.510 -0.174 0.000 1.021 58 N CA 0.504 53.558 53.050 0.007 0.000 0.887 58 N CB 0.588 39.053 38.487 -0.037 0.000 0.974 58 N HN 0.297 nan 8.380 nan 0.000 0.437 59 G N -0.362 108.185 108.800 -0.422 0.000 2.441 59 G HA2 0.067 4.028 3.960 0.001 0.000 0.294 59 G HA3 0.067 4.028 3.960 0.001 0.000 0.294 59 G C -2.061 172.069 174.900 -1.284 0.000 1.393 59 G CA -0.813 43.621 45.100 -1.110 0.000 0.796 59 G HN -0.066 nan 8.290 nan 0.000 0.494 60 D N 0.774 120.243 120.400 -1.552 0.000 2.450 60 D HA 0.307 4.948 4.640 0.001 0.000 0.247 60 D C 0.954 176.921 176.300 -0.555 0.000 1.162 60 D CA 0.937 54.354 54.000 -0.971 0.000 0.879 60 D CB 0.464 40.858 40.800 -0.677 0.000 1.163 60 D HN 0.456 nan 8.370 nan 0.000 0.472 61 Q N 1.601 121.049 119.800 -0.588 0.000 2.460 61 Q HA -0.266 4.075 4.340 0.001 0.000 0.248 61 Q C -0.482 175.121 176.000 -0.662 0.000 0.847 61 Q CA 0.759 56.084 55.803 -0.796 0.000 1.214 61 Q CB -2.017 26.543 28.738 -0.297 0.000 1.523 61 Q HN 0.760 nan 8.270 nan 0.000 0.602 62 Q N 0.409 119.884 119.800 -0.542 0.000 2.963 62 Q HA 0.324 4.665 4.340 0.001 0.000 0.262 62 Q C -0.438 175.434 176.000 -0.213 0.000 1.318 62 Q CA -0.264 55.366 55.803 -0.288 0.000 1.089 62 Q CB 0.095 28.696 28.738 -0.229 0.000 1.424 62 Q HN 0.074 nan 8.270 nan 0.000 0.560 63 F N 0.666 120.626 119.950 0.017 0.000 2.406 63 F HA 0.147 4.675 4.527 0.001 0.000 0.327 63 F C 0.821 176.490 175.800 -0.217 0.000 1.153 63 F CA -0.447 57.476 58.000 -0.129 0.000 1.218 63 F CB 0.635 39.670 39.000 0.059 0.000 1.215 63 F HN 0.168 nan 8.300 nan 0.000 0.570 64 D N 1.700 121.947 120.400 -0.256 0.000 2.402 64 D HA 0.223 4.864 4.640 0.001 0.000 0.252 64 D C -0.712 175.349 176.300 -0.399 0.000 1.294 64 D CA -0.257 53.624 54.000 -0.197 0.000 0.948 64 D CB 0.242 41.011 40.800 -0.051 0.000 1.202 64 D HN 0.265 nan 8.370 nan 0.000 0.561 65 F N 1.168 121.174 119.950 0.094 0.000 2.639 65 F HA 0.069 4.597 4.527 0.001 0.000 0.302 65 F C 2.408 178.169 175.800 -0.065 0.000 1.097 65 F CA -0.202 57.789 58.000 -0.015 0.000 1.294 65 F CB 0.292 39.233 39.000 -0.099 0.000 1.027 65 F HN 0.264 nan 8.300 nan 0.000 0.550 66 S N -0.371 115.392 115.700 0.106 0.000 2.382 66 S HA -0.303 4.168 4.470 0.001 0.000 0.228 66 S C 2.048 176.683 174.600 0.058 0.000 1.027 66 S CA 1.206 59.449 58.200 0.071 0.000 0.991 66 S CB -1.017 62.235 63.200 0.087 0.000 0.823 66 S HN 0.496 nan 8.310 nan 0.000 0.469 67 Y N 2.737 123.050 120.300 0.021 0.000 2.200 67 Y HA 0.098 4.649 4.550 0.001 0.000 0.290 67 Y C 2.633 178.519 175.900 -0.023 0.000 1.137 67 Y CA 0.858 59.004 58.100 0.076 0.000 1.163 67 Y CB -1.033 37.517 38.460 0.151 0.000 0.988 67 Y HN 0.334 nan 8.280 nan 0.000 0.518 68 A N 0.290 122.881 122.820 -0.382 0.000 1.883 68 A HA -0.270 4.051 4.320 0.001 0.000 0.217 68 A C 2.143 179.380 177.584 -0.578 0.000 1.186 68 A CA 2.053 53.570 52.037 -0.867 0.000 0.624 68 A CB -0.859 17.504 19.000 -1.062 0.000 0.822 68 A HN 0.665 nan 8.150 nan 0.000 0.444 69 Q N -1.452 118.098 119.800 -0.416 0.000 2.124 69 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 69 Q C 2.333 177.991 176.000 -0.570 0.000 0.977 69 Q CA 1.735 57.231 55.803 -0.512 0.000 0.850 69 Q CB -0.124 28.502 28.738 -0.187 0.000 0.901 69 Q HN 0.580 nan 8.270 nan 0.000 0.429 70 R N -0.030 120.208 120.500 -0.437 0.000 2.153 70 R HA -0.091 4.250 4.340 0.001 0.000 0.218 70 R C 1.688 177.541 176.300 -0.745 0.000 1.072 70 R CA 0.856 56.624 56.100 -0.554 0.000 0.990 70 R CB -0.388 29.613 30.300 -0.499 0.000 0.889 70 R HN 0.222 nan 8.270 nan 0.000 0.452 71 F N 0.421 119.961 119.950 -0.683 0.000 2.113 71 F HA 0.024 4.552 4.527 0.001 0.000 0.297 71 F C 1.978 177.650 175.800 -0.214 0.000 1.103 71 F CA 1.549 59.334 58.000 -0.358 0.000 1.248 71 F CB -0.574 38.328 39.000 -0.163 0.000 0.999 71 F HN 0.109 nan 8.300 nan 0.000 0.475 72 A N -0.286 122.475 122.820 -0.099 0.000 1.933 72 A HA -0.255 4.066 4.320 0.001 0.000 0.218 72 A C 2.070 179.518 177.584 -0.227 0.000 1.175 72 A CA 1.753 53.679 52.037 -0.185 0.000 0.628 72 A CB -0.961 17.705 19.000 -0.556 0.000 0.814 72 A HN 0.530 nan 8.150 nan 0.000 0.444 73 Q N 0.155 119.747 119.800 -0.348 0.000 2.124 73 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 73 Q C 2.082 178.016 176.000 -0.110 0.000 0.977 73 Q CA 2.145 57.869 55.803 -0.131 0.000 0.850 73 Q CB -0.481 28.174 28.738 -0.139 0.000 0.901 73 Q HN 0.513 nan 8.270 nan 0.000 0.429 74 S N -1.156 114.443 115.700 -0.169 0.000 2.428 74 S HA -0.046 4.425 4.470 0.001 0.000 0.230 74 S C 1.725 176.319 174.600 -0.010 0.000 1.014 74 S CA 0.879 59.066 58.200 -0.022 0.000 0.957 74 S CB -0.074 63.242 63.200 0.194 0.000 0.784 74 S HN 0.254 nan 8.310 nan 0.000 0.499 75 V N 1.643 121.536 119.914 -0.036 0.000 2.379 75 V HA -0.100 4.021 4.120 0.001 0.000 0.245 75 V C 2.382 178.461 176.094 -0.026 0.000 1.044 75 V CA 1.495 63.767 62.300 -0.048 0.000 1.036 75 V CB -0.379 31.458 31.823 0.023 0.000 0.664 75 V HN 0.401 nan 8.190 nan 0.000 0.453 76 K N 0.188 120.593 120.400 0.008 0.000 2.057 76 K HA -0.213 4.108 4.320 0.001 0.000 0.207 76 K C 2.018 178.622 176.600 0.006 0.000 1.049 76 K CA 1.718 58.020 56.287 0.025 0.000 0.931 76 K CB -0.167 32.377 32.500 0.073 0.000 0.714 76 K HN 0.407 nan 8.250 nan 0.000 0.440 77 N N 0.757 119.458 118.700 0.001 0.000 2.149 77 N HA -0.169 4.572 4.740 0.001 0.000 0.188 77 N C 1.421 176.927 175.510 -0.007 0.000 1.019 77 N CA 1.460 54.511 53.050 0.002 0.000 0.857 77 N CB -0.315 38.178 38.487 0.010 0.000 0.997 77 N HN 0.288 nan 8.380 nan 0.000 0.426 78 A N -0.371 122.431 122.820 -0.029 0.000 2.208 78 A HA 0.371 4.692 4.320 0.001 0.000 0.209 78 A C 1.484 179.045 177.584 -0.038 0.000 1.161 78 A CA 0.891 52.901 52.037 -0.045 0.000 0.782 78 A CB -0.400 18.536 19.000 -0.106 0.000 0.816 78 A HN 0.339 nan 8.150 nan 0.000 0.477 79 G N -1.935 106.846 108.800 -0.031 0.000 2.147 79 G HA2 -0.223 3.738 3.960 0.001 0.000 0.244 79 G HA3 -0.223 3.738 3.960 0.001 0.000 0.244 79 G C 0.165 175.029 174.900 -0.060 0.000 1.005 79 G CA 0.678 45.759 45.100 -0.032 0.000 0.713 79 G HN 0.285 nan 8.290 nan 0.000 0.515 80 M N -0.974 118.581 119.600 -0.074 0.000 2.823 80 M HA 0.606 5.087 4.480 0.001 0.000 0.282 80 M C 0.366 176.594 176.300 -0.121 0.000 1.177 80 M CA -0.337 54.897 55.300 -0.110 0.000 0.871 80 M CB 1.273 33.813 32.600 -0.101 0.000 1.595 80 M HN 0.011 nan 8.290 nan 0.000 0.524 81 K N 1.446 121.743 120.400 -0.171 0.000 2.328 81 K HA 0.700 5.021 4.320 0.001 0.000 0.246 81 K C -0.791 175.792 176.600 -0.029 0.000 0.955 81 K CA -0.558 55.647 56.287 -0.137 0.000 0.817 81 K CB 2.575 34.916 32.500 -0.265 0.000 1.208 81 K HN 0.800 nan 8.250 nan 0.000 0.432 82 M N -0.087 119.528 119.600 0.025 0.000 2.619 82 M HA 0.610 5.091 4.480 0.001 0.000 0.297 82 M C -1.320 174.972 176.300 -0.013 0.000 1.229 82 M CA -0.851 54.493 55.300 0.072 0.000 0.860 82 M CB 1.874 34.600 32.600 0.211 0.000 1.741 82 M HN 0.486 nan 8.290 nan 0.000 0.462 83 I N 3.173 123.708 120.570 -0.058 0.000 2.493 83 I HA 0.407 4.578 4.170 0.001 0.000 0.279 83 I C -2.429 173.598 176.117 -0.149 0.000 1.045 83 I CA -1.848 59.371 61.300 -0.136 0.000 1.106 83 I CB 2.099 39.972 38.000 -0.212 0.000 1.216 83 I HN 0.479 nan 8.210 nan 0.000 0.459 84 P HA 0.266 nan 4.420 nan 0.000 0.271 84 P C -0.583 176.562 177.300 -0.259 0.000 1.216 84 P CA 0.124 63.106 63.100 -0.197 0.000 0.771 84 P CB 0.882 32.643 31.700 0.101 0.000 0.864 85 I N 3.404 123.746 120.570 -0.380 0.000 2.441 85 I HA 0.328 4.499 4.170 0.001 0.000 0.295 85 I C 0.510 176.393 176.117 -0.391 0.000 0.994 85 I CA -0.866 60.246 61.300 -0.313 0.000 1.144 85 I CB 1.332 39.122 38.000 -0.350 0.000 1.314 85 I HN 0.129 nan 8.210 nan 0.000 0.445 86 I N 5.207 125.557 120.570 -0.366 0.000 2.269 86 I HA 0.117 4.288 4.170 0.001 0.000 0.293 86 I C 0.044 176.020 176.117 -0.235 0.000 1.106 86 I CA 0.195 61.277 61.300 -0.363 0.000 1.248 86 I CB 0.359 38.097 38.000 -0.436 0.000 1.444 86 I HN 0.488 nan 8.210 nan 0.000 0.497 87 S N 3.538 119.068 115.700 -0.284 0.000 3.036 87 S HA 0.076 4.547 4.470 0.001 0.000 0.301 87 S C 1.190 175.765 174.600 -0.041 0.000 1.205 87 S CA -0.574 57.451 58.200 -0.291 0.000 0.999 87 S CB -0.079 62.570 63.200 -0.917 0.000 1.337 87 S HN 0.733 nan 8.310 nan 0.000 0.515 88 T N 0.006 114.587 114.554 0.044 0.000 3.366 88 T HA 0.075 4.426 4.350 0.001 0.000 0.249 88 T C 0.474 175.417 174.700 0.406 0.000 1.028 88 T CA -0.354 61.860 62.100 0.191 0.000 0.938 88 T CB -0.590 68.077 68.868 -0.335 0.000 1.046 88 T HN 0.736 nan 8.240 nan 0.000 0.587 89 H N -1.009 118.270 119.070 0.349 0.000 2.797 89 H HA 0.515 5.072 4.556 0.002 0.000 0.362 89 H C -0.658 174.887 175.328 0.362 0.000 1.183 89 H CA -1.151 55.100 56.048 0.339 0.000 1.197 89 H CB 1.207 31.131 29.762 0.270 0.000 1.835 89 H HN 0.247 nan 8.280 nan 0.000 0.567 90 Q N 0.744 120.724 119.800 0.300 0.000 2.314 90 Q HA 0.283 4.624 4.340 0.001 0.000 0.258 90 Q C -0.951 175.035 176.000 -0.023 0.000 0.954 90 Q CA -0.574 55.277 55.803 0.079 0.000 0.890 90 Q CB 0.856 29.644 28.738 0.085 0.000 1.210 90 Q HN 0.586 nan 8.270 nan 0.000 0.410 91 c N 5.038 123.356 118.600 -0.470 0.000 2.285 91 c HA 0.707 5.278 4.570 0.001 0.000 0.335 91 c C 1.167 175.041 174.090 -0.359 0.000 1.267 91 c CA 0.891 56.799 56.329 -0.702 0.000 1.762 91 c CB -1.009 40.444 42.510 -1.761 0.000 2.365 91 c HN 1.118 nan 8.230 nan 0.000 0.527 92 G N 4.440 113.136 108.800 -0.173 0.000 2.611 92 G HA2 0.184 4.145 3.960 0.001 0.000 0.301 92 G HA3 0.184 4.145 3.960 0.001 0.000 0.301 92 G C 1.077 175.918 174.900 -0.099 0.000 1.233 92 G CA 1.116 46.147 45.100 -0.116 0.000 0.993 92 G HN 2.512 nan 8.290 nan 0.000 0.553 93 G N -2.145 106.594 108.800 -0.101 0.000 2.253 93 G HA2 -0.212 3.749 3.960 0.001 0.000 0.209 93 G HA3 -0.212 3.749 3.960 0.001 0.000 0.209 93 G C 0.218 175.080 174.900 -0.063 0.000 0.997 93 G CA 0.909 45.959 45.100 -0.083 0.000 0.640 93 G HN 1.361 nan 8.290 nan 0.000 0.496 94 N N 1.325 119.993 118.700 -0.052 0.000 2.499 94 N HA 0.447 5.187 4.740 0.001 0.000 0.281 94 N C 0.873 176.360 175.510 -0.039 0.000 1.098 94 N CA 0.372 53.398 53.050 -0.040 0.000 0.979 94 N CB 1.988 40.458 38.487 -0.029 0.000 1.121 94 N HN 0.989 nan 8.380 nan 0.000 0.466 95 V N 0.077 119.970 119.914 -0.035 0.000 2.703 95 V HA 0.122 4.243 4.120 0.001 0.000 0.300 95 V C 1.271 177.348 176.094 -0.029 0.000 1.063 95 V CA 0.420 62.701 62.300 -0.032 0.000 1.240 95 V CB -0.775 31.031 31.823 -0.027 0.000 0.845 95 V HN 0.969 nan 8.190 nan 0.000 0.476 96 G N 2.425 111.207 108.800 -0.031 0.000 2.137 96 G HA2 -0.197 3.764 3.960 0.001 0.000 0.237 96 G HA3 -0.197 3.764 3.960 0.001 0.000 0.237 96 G C -0.098 174.785 174.900 -0.028 0.000 1.002 96 G CA 0.221 45.305 45.100 -0.027 0.000 0.702 96 G HN 0.977 nan 8.290 nan 0.000 0.515 97 D N -0.526 119.852 120.400 -0.037 0.000 2.348 97 D HA 0.358 4.999 4.640 0.001 0.000 0.249 97 D C 0.924 177.196 176.300 -0.046 0.000 1.110 97 D CA -0.613 53.364 54.000 -0.039 0.000 0.967 97 D CB 0.845 41.612 40.800 -0.054 0.000 1.139 97 D HN -0.058 nan 8.370 nan 0.000 0.466 98 D N -0.728 119.648 120.400 -0.041 0.000 2.317 98 D HA -0.011 4.630 4.640 0.001 0.000 0.211 98 D C 0.511 176.767 176.300 -0.073 0.000 0.966 98 D CA 0.517 54.493 54.000 -0.040 0.000 0.876 98 D CB 0.238 41.030 40.800 -0.014 0.000 0.927 98 D HN 0.436 nan 8.370 nan 0.000 0.519 99 c N -1.041 117.492 118.600 -0.112 0.000 3.285 99 c HA 0.769 5.340 4.570 0.001 0.000 0.320 99 c C -0.770 173.197 174.090 -0.205 0.000 1.411 99 c CA -1.206 55.016 56.329 -0.179 0.000 1.429 99 c CB 1.236 43.586 42.510 -0.267 0.000 1.812 99 c HN 0.166 nan 8.230 nan 0.000 0.454 100 N N -0.142 118.413 118.700 -0.241 0.000 2.701 100 N HA 0.515 5.256 4.740 0.001 0.000 0.258 100 N C -1.672 173.683 175.510 -0.259 0.000 1.262 100 N CA -0.314 52.603 53.050 -0.222 0.000 0.780 100 N CB 1.167 39.568 38.487 -0.143 0.000 1.380 100 N HN 0.799 nan 8.380 nan 0.000 0.548 101 V N 3.185 122.880 119.914 -0.366 0.000 2.327 101 V HA 0.540 4.660 4.120 0.001 0.000 0.272 101 V C -2.140 173.815 176.094 -0.231 0.000 1.019 101 V CA -1.435 60.665 62.300 -0.334 0.000 0.814 101 V CB 0.783 32.284 31.823 -0.535 0.000 1.040 101 V HN 0.488 nan 8.190 nan 0.000 0.440 102 P HA 0.260 nan 4.420 nan 0.000 0.273 102 P C 0.054 177.315 177.300 -0.065 0.000 1.250 102 P CA -0.433 62.638 63.100 -0.047 0.000 0.793 102 P CB 0.704 32.396 31.700 -0.014 0.000 1.011 103 I N 1.671 122.222 120.570 -0.031 0.000 2.813 103 I HA 0.058 4.228 4.170 0.001 0.000 0.287 103 I C -1.843 173.984 176.117 -0.483 0.000 1.196 103 I CA -2.629 58.486 61.300 -0.308 0.000 1.421 103 I CB -1.391 36.465 38.000 -0.240 0.000 1.365 103 I HN 0.269 nan 8.210 nan 0.000 0.591 104 P HA -0.031 nan 4.420 nan 0.000 0.260 104 P C 0.701 177.531 177.300 -0.783 0.000 1.172 104 P CA 0.283 62.913 63.100 -0.782 0.000 0.760 104 P CB 0.288 31.332 31.700 -1.094 0.000 0.773 105 S N 4.203 119.717 115.700 -0.311 0.000 2.423 105 S HA -0.121 4.350 4.470 0.001 0.000 0.231 105 S C 1.513 176.061 174.600 -0.086 0.000 1.014 105 S CA 0.386 58.556 58.200 -0.051 0.000 0.965 105 S CB -0.948 62.295 63.200 0.071 0.000 0.785 105 S HN 0.657 nan 8.310 nan 0.000 0.495 106 W N 1.335 122.579 121.300 -0.094 0.000 2.611 106 W HA 0.136 4.797 4.660 0.002 0.000 0.251 106 W C 1.203 177.653 176.519 -0.116 0.000 1.265 106 W CA 0.454 57.755 57.345 -0.073 0.000 1.295 106 W CB -0.995 28.416 29.460 -0.082 0.000 1.129 106 W HN 0.156 nan 8.180 nan 0.000 0.630 107 V N 0.529 119.894 119.914 -0.915 0.000 2.427 107 V HA -0.259 3.862 4.120 0.001 0.000 0.248 107 V C 1.979 177.824 176.094 -0.416 0.000 1.051 107 V CA 1.944 63.724 62.300 -0.866 0.000 1.048 107 V CB -1.086 29.930 31.823 -1.343 0.000 0.666 107 V HN 0.166 nan 8.190 nan 0.000 0.456 108 W N 0.235 121.431 121.300 -0.174 0.000 2.525 108 W HA -0.043 4.618 4.660 0.001 0.000 0.259 108 W C 1.863 178.384 176.519 0.002 0.000 1.253 108 W CA 0.285 57.597 57.345 -0.056 0.000 1.262 108 W CB -0.501 28.925 29.460 -0.056 0.000 1.122 108 W HN 0.252 nan 8.180 nan 0.000 0.607 109 N N 0.184 118.993 118.700 0.181 0.000 2.449 109 N HA -0.059 4.681 4.740 0.001 0.000 0.191 109 N C 1.259 176.848 175.510 0.132 0.000 1.161 109 N CA 0.550 53.696 53.050 0.161 0.000 0.863 109 N CB -0.259 38.324 38.487 0.160 0.000 0.980 109 N HN 0.342 nan 8.380 nan 0.000 0.458 110 Q N -0.173 119.694 119.800 0.110 0.000 2.378 110 Q HA 0.078 4.419 4.340 0.001 0.000 0.205 110 Q C -0.417 175.617 176.000 0.057 0.000 0.954 110 Q CA 0.914 56.770 55.803 0.088 0.000 0.901 110 Q CB 0.393 29.173 28.738 0.070 0.000 0.981 110 Q HN 0.017 nan 8.270 nan 0.000 0.483 111 K N -1.313 119.126 120.400 0.066 0.000 2.523 111 K HA 0.177 4.498 4.320 0.001 0.000 0.257 111 K C -0.214 176.427 176.600 0.068 0.000 0.932 111 K CA -0.122 56.188 56.287 0.039 0.000 0.812 111 K CB 1.779 34.271 32.500 -0.014 0.000 1.326 111 K HN -0.075 nan 8.250 nan 0.000 0.433 112 S N -1.057 114.674 115.700 0.051 0.000 2.535 112 S HA -0.028 4.443 4.470 0.001 0.000 0.214 112 S C 0.506 175.138 174.600 0.053 0.000 0.980 112 S CA 0.054 58.291 58.200 0.063 0.000 0.907 112 S CB -0.272 62.961 63.200 0.054 0.000 0.790 112 S HN 0.651 nan 8.310 nan 0.000 0.510 113 D N 2.360 122.768 120.400 0.014 0.000 2.425 113 D HA 0.178 4.819 4.640 0.001 0.000 0.274 113 D C 0.088 176.362 176.300 -0.043 0.000 1.242 113 D CA -0.240 53.758 54.000 -0.004 0.000 1.060 113 D CB 0.099 40.879 40.800 -0.034 0.000 1.112 113 D HN 0.208 nan 8.370 nan 0.000 0.561 114 D N -2.472 117.868 120.400 -0.101 0.000 2.538 114 D HA 0.017 4.658 4.640 0.001 0.000 0.231 114 D C 0.905 176.926 176.300 -0.465 0.000 1.229 114 D CA -0.111 53.696 54.000 -0.322 0.000 0.828 114 D CB -0.471 40.218 40.800 -0.184 0.000 1.035 114 D HN 0.239 nan 8.370 nan 0.000 0.495 115 S N -0.315 115.114 115.700 -0.452 0.000 2.507 115 S HA -0.037 4.434 4.470 0.001 0.000 0.235 115 S C 1.646 175.985 174.600 -0.434 0.000 0.988 115 S CA 0.214 58.010 58.200 -0.673 0.000 0.944 115 S CB -0.512 61.568 63.200 -1.866 0.000 0.762 115 S HN 0.339 nan 8.310 nan 0.000 0.526 116 L N -0.235 120.805 121.223 -0.304 0.000 2.477 116 L HA 0.298 4.639 4.340 0.001 0.000 0.220 116 L C 0.962 177.894 176.870 0.104 0.000 1.106 116 L CA -0.098 54.715 54.840 -0.044 0.000 0.851 116 L CB -0.159 42.020 42.059 0.199 0.000 0.994 116 L HN 0.529 nan 8.230 nan 0.000 0.462 117 Y N -2.853 117.457 120.300 0.015 0.000 2.876 117 Y HA 0.720 5.270 4.550 0.001 0.000 0.318 117 Y C -0.615 175.133 175.900 -0.252 0.000 1.275 117 Y CA -2.139 55.937 58.100 -0.041 0.000 1.144 117 Y CB 0.276 38.741 38.460 0.007 0.000 1.376 117 Y HN -0.302 nan 8.280 nan 0.000 0.589 118 F N -0.093 120.125 119.950 0.445 0.000 2.561 118 F HA 0.701 5.229 4.527 0.001 0.000 0.321 118 F C -0.362 175.657 175.800 0.364 0.000 1.065 118 F CA -1.152 57.041 58.000 0.322 0.000 0.934 118 F CB 2.355 41.512 39.000 0.262 0.000 1.215 118 F HN 0.276 nan 8.300 nan 0.000 0.471 119 K N 0.925 121.625 120.400 0.499 0.000 2.507 119 K HA 0.460 4.780 4.320 0.001 0.000 0.251 119 K C -0.776 176.073 176.600 0.415 0.000 0.943 119 K CA -0.586 55.939 56.287 0.396 0.000 0.794 119 K CB 1.997 34.709 32.500 0.355 0.000 1.188 119 K HN 0.799 nan 8.250 nan 0.000 0.428 120 S N 1.495 117.361 115.700 0.278 0.000 2.624 120 S HA 0.116 4.587 4.470 0.001 0.000 0.263 120 S C 1.006 175.583 174.600 -0.038 0.000 1.287 120 S CA -0.379 57.947 58.200 0.211 0.000 0.990 120 S CB 1.060 64.319 63.200 0.099 0.000 0.950 120 S HN 0.683 nan 8.310 nan 0.000 0.561 121 E N 0.654 120.696 120.200 -0.263 0.000 2.136 121 E HA -0.203 4.148 4.350 0.001 0.000 0.202 121 E C 1.411 177.753 176.600 -0.430 0.000 1.019 121 E CA 1.855 57.781 56.400 -0.790 0.000 0.819 121 E CB -0.531 28.966 29.700 -0.339 0.000 0.739 121 E HN 0.915 nan 8.360 nan 0.000 0.458 122 T N -3.133 111.315 114.554 -0.177 0.000 3.251 122 T HA 0.424 4.775 4.350 0.001 0.000 0.259 122 T C 1.128 175.801 174.700 -0.044 0.000 0.998 122 T CA 0.156 62.196 62.100 -0.100 0.000 0.905 122 T CB 0.621 69.458 68.868 -0.052 0.000 1.067 122 T HN 0.308 nan 8.240 nan 0.000 0.569 123 G N 1.115 109.902 108.800 -0.022 0.000 2.162 123 G HA2 -0.267 3.693 3.960 0.001 0.000 0.260 123 G HA3 -0.267 3.693 3.960 0.001 0.000 0.260 123 G C 0.169 175.108 174.900 0.065 0.000 0.976 123 G CA 0.128 45.254 45.100 0.043 0.000 0.655 123 G HN 0.725 nan 8.290 nan 0.000 0.533 124 T N 0.993 115.581 114.554 0.058 0.000 2.870 124 T HA 0.433 4.783 4.350 0.001 0.000 0.300 124 T C 0.655 175.411 174.700 0.095 0.000 0.989 124 T CA -0.077 62.054 62.100 0.052 0.000 1.139 124 T CB 2.218 71.109 68.868 0.039 0.000 0.920 124 T HN 0.348 nan 8.240 nan 0.000 0.537 125 V N 5.027 124.972 119.914 0.052 0.000 2.546 125 V HA 0.292 4.412 4.120 0.001 0.000 0.284 125 V C 0.510 176.625 176.094 0.035 0.000 1.050 125 V CA -0.680 61.654 62.300 0.057 0.000 0.981 125 V CB 1.265 33.008 31.823 -0.134 0.000 0.990 125 V HN 0.809 nan 8.190 nan 0.000 0.474 126 N N 4.036 122.832 118.700 0.160 0.000 2.314 126 N HA 0.409 5.150 4.740 0.001 0.000 0.294 126 N C -0.412 175.225 175.510 0.211 0.000 1.029 126 N CA -0.524 52.611 53.050 0.142 0.000 0.845 126 N CB 1.800 40.374 38.487 0.146 0.000 1.321 126 N HN 0.603 nan 8.380 nan 0.000 0.481 127 K N 1.966 122.386 120.400 0.033 0.000 2.676 127 K HA 0.056 4.377 4.320 0.001 0.000 0.205 127 K C 0.442 177.178 176.600 0.226 0.000 1.084 127 K CA 0.002 56.262 56.287 -0.045 0.000 1.057 127 K CB 0.567 32.674 32.500 -0.654 0.000 0.791 127 K HN 0.646 nan 8.250 nan 0.000 0.484 128 E N 0.866 121.212 120.200 0.244 0.000 2.463 128 E HA -0.012 4.339 4.350 0.001 0.000 0.191 128 E C -0.125 176.692 176.600 0.361 0.000 1.083 128 E CA 0.428 56.977 56.400 0.248 0.000 0.872 128 E CB 0.437 30.213 29.700 0.128 0.000 0.966 128 E HN -0.044 nan 8.360 nan 0.000 0.491 129 T N -0.683 114.173 114.554 0.503 0.000 2.913 129 T HA 0.230 4.581 4.350 0.001 0.000 0.341 129 T C -1.490 173.547 174.700 0.561 0.000 1.855 129 T CA -0.780 61.617 62.100 0.494 0.000 1.049 129 T CB 0.288 69.394 68.868 0.397 0.000 1.769 129 T HN 0.166 nan 8.240 nan 0.000 0.511 130 L N 3.326 124.788 121.223 0.399 0.000 2.395 130 L HA 0.476 4.817 4.340 0.001 0.000 0.269 130 L C 1.051 177.995 176.870 0.124 0.000 1.133 130 L CA -0.913 54.075 54.840 0.246 0.000 0.812 130 L CB 0.508 42.625 42.059 0.097 0.000 1.125 130 L HN 0.607 nan 8.230 nan 0.000 0.452 131 N N 3.975 122.577 118.700 -0.164 0.000 2.452 131 N HA 0.053 4.794 4.740 0.001 0.000 0.266 131 N C -1.739 173.630 175.510 -0.236 0.000 1.209 131 N CA -1.510 51.254 53.050 -0.477 0.000 0.929 131 N CB 1.161 39.182 38.487 -0.776 0.000 1.063 131 N HN 0.291 nan 8.380 nan 0.000 0.472 132 P HA -0.132 nan 4.420 nan 0.000 0.227 132 P C 1.402 178.617 177.300 -0.141 0.000 1.145 132 P CA 0.814 63.714 63.100 -0.332 0.000 0.769 132 P CB 0.314 31.663 31.700 -0.584 0.000 0.769 133 L N -0.859 120.314 121.223 -0.084 0.000 2.217 133 L HA -0.005 4.336 4.340 0.001 0.000 0.211 133 L C 1.649 178.626 176.870 0.179 0.000 1.107 133 L CA 0.573 55.462 54.840 0.082 0.000 0.783 133 L CB -0.632 41.539 42.059 0.186 0.000 0.919 133 L HN -0.104 nan 8.230 nan 0.000 0.442 134 A N -0.219 122.624 122.820 0.038 0.000 3.077 134 A HA 0.127 4.447 4.320 0.001 0.000 0.255 134 A C 1.542 179.101 177.584 -0.041 0.000 1.728 134 A CA 0.365 52.376 52.037 -0.043 0.000 1.383 134 A CB -0.500 18.412 19.000 -0.145 0.000 1.097 134 A HN 0.402 nan 8.150 nan 0.000 0.634 135 S N 0.062 115.769 115.700 0.011 0.000 2.562 135 S HA -0.100 4.371 4.470 0.001 0.000 0.221 135 S C 1.186 175.766 174.600 -0.033 0.000 0.975 135 S CA 0.673 58.861 58.200 -0.021 0.000 0.918 135 S CB -0.167 63.040 63.200 0.012 0.000 0.772 135 S HN 0.718 nan 8.310 nan 0.000 0.531 136 D N 2.455 122.846 120.400 -0.014 0.000 2.091 136 D HA -0.084 4.557 4.640 0.001 0.000 0.199 136 D C 1.972 178.251 176.300 -0.036 0.000 0.980 136 D CA 0.974 54.965 54.000 -0.014 0.000 0.831 136 D CB -0.997 39.805 40.800 0.003 0.000 0.987 136 D HN 0.357 nan 8.370 nan 0.000 0.460 137 V N 1.116 121.001 119.914 -0.048 0.000 2.407 137 V HA -0.209 3.912 4.120 0.001 0.000 0.248 137 V C 2.679 178.719 176.094 -0.091 0.000 1.055 137 V CA 1.005 63.282 62.300 -0.039 0.000 1.049 137 V CB -0.381 31.416 31.823 -0.044 0.000 0.662 137 V HN 0.169 nan 8.190 nan 0.000 0.455 138 I N 0.382 120.837 120.570 -0.191 0.000 2.113 138 I HA -0.238 3.933 4.170 0.001 0.000 0.238 138 I C 2.683 178.570 176.117 -0.383 0.000 1.070 138 I CA 2.143 63.171 61.300 -0.453 0.000 1.332 138 I CB -1.179 36.495 38.000 -0.543 0.000 1.044 138 I HN 0.376 nan 8.210 nan 0.000 0.402 139 R N 1.372 121.736 120.500 -0.227 0.000 2.105 139 R HA -0.222 4.119 4.340 0.001 0.000 0.239 139 R C 2.288 178.533 176.300 -0.091 0.000 1.135 139 R CA 1.838 57.847 56.100 -0.151 0.000 0.967 139 R CB -0.209 30.038 30.300 -0.089 0.000 0.861 139 R HN 0.297 nan 8.270 nan 0.000 0.442 140 K N 0.309 120.679 120.400 -0.050 0.000 1.965 140 K HA -0.156 4.165 4.320 0.001 0.000 0.214 140 K C 1.838 178.458 176.600 0.033 0.000 1.042 140 K CA 1.713 58.005 56.287 0.009 0.000 0.950 140 K CB -0.089 32.437 32.500 0.043 0.000 0.733 140 K HN 0.127 nan 8.250 nan 0.000 0.441 141 E N 0.052 120.293 120.200 0.068 0.000 2.097 141 E HA -0.210 4.141 4.350 0.001 0.000 0.196 141 E C 2.144 178.726 176.600 -0.030 0.000 1.000 141 E CA 1.414 57.885 56.400 0.119 0.000 0.804 141 E CB -0.385 29.466 29.700 0.251 0.000 0.740 141 E HN 0.481 nan 8.360 nan 0.000 0.454 142 Y N 0.328 120.362 120.300 -0.443 0.000 2.365 142 Y HA 0.123 4.674 4.550 0.001 0.000 0.293 142 Y C 2.558 177.968 175.900 -0.816 0.000 1.119 142 Y CA 0.525 58.132 58.100 -0.823 0.000 1.203 142 Y CB -1.073 36.808 38.460 -0.965 0.000 1.026 142 Y HN 0.067 nan 8.280 nan 0.000 0.549 143 G N -0.096 108.554 108.800 -0.250 0.000 2.422 143 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 143 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 143 G C 1.518 176.401 174.900 -0.028 0.000 1.146 143 G CA 0.819 45.844 45.100 -0.126 0.000 0.769 143 G HN 0.400 nan 8.290 nan 0.000 0.547 144 E N -0.439 119.787 120.200 0.044 0.000 2.107 144 E HA -0.023 4.328 4.350 0.001 0.000 0.191 144 E C 2.350 179.111 176.600 0.269 0.000 0.982 144 E CA 0.375 56.891 56.400 0.193 0.000 0.809 144 E CB -0.115 29.750 29.700 0.276 0.000 0.756 144 E HN 0.311 nan 8.360 nan 0.000 0.459 145 L N 0.437 121.779 121.223 0.198 0.000 2.017 145 L HA -0.186 4.155 4.340 0.001 0.000 0.208 145 L C 1.955 178.934 176.870 0.182 0.000 1.073 145 L CA 1.708 56.659 54.840 0.184 0.000 0.745 145 L CB -0.598 41.414 42.059 -0.079 0.000 0.894 145 L HN 0.087 nan 8.230 nan 0.000 0.432 146 Y N 0.255 120.517 120.300 -0.063 0.000 2.014 146 Y HA -0.257 4.293 4.550 0.001 0.000 0.270 146 Y C 2.772 178.579 175.900 -0.156 0.000 1.145 146 Y CA 1.783 59.815 58.100 -0.114 0.000 1.106 146 Y CB -1.682 36.638 38.460 -0.232 0.000 0.968 146 Y HN 0.197 nan 8.280 nan 0.000 0.484 147 T N 0.346 114.892 114.554 -0.012 0.000 2.699 147 T HA -0.222 4.129 4.350 0.001 0.000 0.268 147 T C 2.098 176.737 174.700 -0.100 0.000 1.036 147 T CA 1.612 63.669 62.100 -0.072 0.000 1.147 147 T CB -0.661 68.189 68.868 -0.031 0.000 0.862 147 T HN 0.428 nan 8.240 nan 0.000 0.446 148 A N 0.383 123.095 122.820 -0.181 0.000 1.969 148 A HA 0.072 4.393 4.320 0.001 0.000 0.218 148 A C 1.972 179.094 177.584 -0.770 0.000 1.169 148 A CA 0.965 52.717 52.037 -0.475 0.000 0.635 148 A CB -0.759 17.624 19.000 -1.027 0.000 0.810 148 A HN 0.516 nan 8.150 nan 0.000 0.445 149 F N 0.827 120.384 119.950 -0.655 0.000 2.128 149 F HA 0.083 4.611 4.527 0.002 0.000 0.295 149 F C 2.485 178.130 175.800 -0.259 0.000 1.100 149 F CA 1.071 58.677 58.000 -0.657 0.000 1.260 149 F CB -0.371 38.540 39.000 -0.149 0.000 1.009 149 F HN 0.233 nan 8.300 nan 0.000 0.476 150 A N 0.515 123.469 122.820 0.223 0.000 1.948 150 A HA -0.173 4.148 4.320 0.001 0.000 0.220 150 A C 2.319 179.966 177.584 0.105 0.000 1.177 150 A CA 2.007 54.282 52.037 0.396 0.000 0.636 150 A CB -1.542 17.668 19.000 0.350 0.000 0.815 150 A HN 0.522 nan 8.150 nan 0.000 0.449 151 A N -0.876 121.877 122.820 -0.111 0.000 2.016 151 A HA 0.390 4.710 4.320 0.001 0.000 0.217 151 A C 2.340 179.809 177.584 -0.192 0.000 1.162 151 A CA 1.456 53.412 52.037 -0.135 0.000 0.662 151 A CB -0.622 18.303 19.000 -0.125 0.000 0.812 151 A HN 0.967 nan 8.150 nan 0.000 0.450 152 A N -1.261 121.334 122.820 -0.375 0.000 2.016 152 A HA 0.110 4.431 4.320 0.001 0.000 0.217 152 A C 1.873 179.322 177.584 -0.224 0.000 1.162 152 A CA 1.334 53.153 52.037 -0.363 0.000 0.662 152 A CB -0.236 18.362 19.000 -0.669 0.000 0.812 152 A HN 0.372 nan 8.150 nan 0.000 0.450 153 M N -0.719 118.718 119.600 -0.272 0.000 2.428 153 M HA 0.134 4.615 4.480 0.001 0.000 0.239 153 M C 1.618 178.051 176.300 0.223 0.000 1.121 153 M CA 0.484 55.758 55.300 -0.043 0.000 1.019 153 M CB -0.602 31.731 32.600 -0.445 0.000 1.485 153 M HN 0.543 nan 8.290 nan 0.000 0.484 154 K N 1.598 122.052 120.400 0.090 0.000 2.127 154 K HA -0.168 4.152 4.320 0.001 0.000 0.208 154 K C -1.058 175.455 176.600 -0.146 0.000 1.047 154 K CA 1.579 57.805 56.287 -0.101 0.000 0.927 154 K CB -0.694 31.689 32.500 -0.195 0.000 0.716 154 K HN 0.147 nan 8.250 nan 0.000 0.450 155 P HA -0.108 nan 4.420 nan 0.000 0.226 155 P C -0.052 176.870 177.300 -0.629 0.000 1.153 155 P CA 1.090 63.901 63.100 -0.481 0.000 0.777 155 P CB 0.042 31.344 31.700 -0.663 0.000 0.794 156 Y N -0.738 119.563 120.300 0.002 0.000 2.555 156 Y HA 0.163 4.714 4.550 0.001 0.000 0.259 156 Y C 2.032 177.988 175.900 0.094 0.000 1.179 156 Y CA -0.481 57.635 58.100 0.025 0.000 1.230 156 Y CB -0.449 38.011 38.460 0.001 0.000 1.146 156 Y HN -0.089 nan 8.280 nan 0.000 0.526 157 K N 1.132 121.664 120.400 0.220 0.000 2.127 157 K HA -0.278 4.043 4.320 0.001 0.000 0.208 157 K C 0.687 177.398 176.600 0.186 0.000 1.047 157 K CA 2.583 59.047 56.287 0.296 0.000 0.927 157 K CB -0.659 31.864 32.500 0.039 0.000 0.716 157 K HN 0.443 nan 8.250 nan 0.000 0.450 158 D N 0.318 120.778 120.400 0.100 0.000 2.378 158 D HA -0.108 4.533 4.640 0.001 0.000 0.222 158 D C 1.387 177.736 176.300 0.082 0.000 0.980 158 D CA 0.973 55.017 54.000 0.073 0.000 0.907 158 D CB 0.168 40.989 40.800 0.034 0.000 0.899 158 D HN 0.309 nan 8.370 nan 0.000 0.527 159 V N -2.594 117.385 119.914 0.109 0.000 3.528 159 V HA 0.343 4.464 4.120 0.001 0.000 0.294 159 V C 0.439 176.575 176.094 0.070 0.000 1.404 159 V CA -0.581 61.766 62.300 0.078 0.000 1.065 159 V CB -0.430 31.447 31.823 0.090 0.000 0.904 159 V HN 0.069 nan 8.190 nan 0.000 0.435 160 I N 1.865 122.489 120.570 0.090 0.000 2.301 160 I HA 0.555 4.726 4.170 0.001 0.000 0.292 160 I C 1.335 177.464 176.117 0.021 0.000 1.046 160 I CA 0.178 61.495 61.300 0.030 0.000 1.282 160 I CB 1.669 39.656 38.000 -0.022 0.000 1.409 160 I HN 0.234 nan 8.210 nan 0.000 0.484 161 A N 6.810 129.630 122.820 -0.001 0.000 2.063 161 A HA 0.153 4.474 4.320 0.001 0.000 0.211 161 A C 0.755 178.311 177.584 -0.047 0.000 1.177 161 A CA 0.641 52.707 52.037 0.048 0.000 0.759 161 A CB 0.332 19.448 19.000 0.193 0.000 0.857 161 A HN 0.707 nan 8.150 nan 0.000 0.468 162 K N -1.046 119.261 120.400 -0.155 0.000 2.658 162 K HA 0.586 4.907 4.320 0.001 0.000 0.293 162 K C -2.261 174.140 176.600 -0.331 0.000 1.026 162 K CA -0.703 55.439 56.287 -0.242 0.000 0.871 162 K CB 0.836 33.161 32.500 -0.292 0.000 1.524 162 K HN 0.081 nan 8.250 nan 0.000 0.400 163 I N 2.191 122.520 120.570 -0.401 0.000 2.545 163 I HA 0.371 4.542 4.170 0.001 0.000 0.292 163 I C -1.360 174.537 176.117 -0.367 0.000 1.040 163 I CA -0.946 60.078 61.300 -0.460 0.000 1.068 163 I CB 1.734 39.278 38.000 -0.761 0.000 1.251 163 I HN 0.546 nan 8.210 nan 0.000 0.424 164 Y N 5.251 125.354 120.300 -0.330 0.000 2.487 164 Y HA 0.619 5.169 4.550 0.001 0.000 0.337 164 Y C -0.139 175.605 175.900 -0.260 0.000 1.076 164 Y CA -0.494 57.467 58.100 -0.233 0.000 1.115 164 Y CB 1.838 40.184 38.460 -0.189 0.000 1.235 164 Y HN 0.272 nan 8.280 nan 0.000 0.468 165 L N 1.187 122.431 121.223 0.035 0.000 2.332 165 L HA 0.574 4.914 4.340 0.001 0.000 0.269 165 L C -0.122 176.786 176.870 0.062 0.000 1.016 165 L CA -1.099 53.732 54.840 -0.016 0.000 0.809 165 L CB 1.709 43.768 42.059 0.001 0.000 1.280 165 L HN 0.459 nan 8.230 nan 0.000 0.447 166 S N -0.267 115.486 115.700 0.089 0.000 2.420 166 S HA 0.388 4.859 4.470 0.001 0.000 0.313 166 S C 0.789 175.522 174.600 0.221 0.000 1.079 166 S CA -0.423 57.868 58.200 0.151 0.000 1.104 166 S CB 0.984 64.361 63.200 0.295 0.000 0.969 166 S HN 0.789 nan 8.310 nan 0.000 0.471 167 G N 2.906 111.827 108.800 0.201 0.000 2.920 167 G HA2 0.513 4.474 3.960 0.001 0.000 0.208 167 G HA3 0.513 4.474 3.960 0.001 0.000 0.208 167 G C 0.705 175.750 174.900 0.242 0.000 1.159 167 G CA 0.248 45.520 45.100 0.286 0.000 0.784 167 G HN 1.176 nan 8.290 nan 0.000 0.535 168 G N -0.843 108.046 108.800 0.149 0.000 2.399 168 G HA2 0.362 4.323 3.960 0.001 0.000 0.256 168 G HA3 0.362 4.323 3.960 0.001 0.000 0.256 168 G C -3.271 171.618 174.900 -0.018 0.000 1.236 168 G CA -0.770 44.370 45.100 0.067 0.000 0.914 168 G HN -0.054 nan 8.290 nan 0.000 0.482 169 P HA 0.387 nan 4.420 nan 0.000 0.265 169 P C 0.623 177.784 177.300 -0.231 0.000 1.193 169 P CA 1.852 64.885 63.100 -0.111 0.000 0.765 169 P CB 1.142 32.735 31.700 -0.178 0.000 0.823 170 A N 3.497 126.147 122.820 -0.284 0.000 2.790 170 A HA -0.095 4.226 4.320 0.001 0.000 0.277 170 A C 1.468 178.722 177.584 -0.549 0.000 1.435 170 A CA 1.485 53.352 52.037 -0.282 0.000 0.877 170 A CB -2.438 16.522 19.000 -0.066 0.000 1.007 170 A HN 1.082 nan 8.150 nan 0.000 0.613 171 G N -2.294 105.853 108.800 -1.089 0.000 2.143 171 G HA2 -0.191 3.770 3.960 0.001 0.000 0.249 171 G HA3 -0.191 3.770 3.960 0.001 0.000 0.249 171 G C -0.247 174.556 174.900 -0.161 0.000 0.981 171 G CA 0.933 45.720 45.100 -0.522 0.000 0.665 171 G HN 1.226 nan 8.290 nan 0.000 0.528 172 E N -0.861 119.274 120.200 -0.109 0.000 2.195 172 E HA 0.578 4.929 4.350 0.001 0.000 0.271 172 E C -0.160 176.499 176.600 0.098 0.000 0.923 172 E CA -1.091 55.336 56.400 0.045 0.000 0.790 172 E CB 2.003 31.750 29.700 0.079 0.000 1.155 172 E HN 0.218 nan 8.360 nan 0.000 0.402 173 L N 5.051 126.400 121.223 0.211 0.000 2.363 173 L HA 0.281 4.622 4.340 0.001 0.000 0.286 173 L C -0.371 176.614 176.870 0.191 0.000 1.106 173 L CA 0.662 55.629 54.840 0.211 0.000 0.859 173 L CB -0.607 41.652 42.059 0.334 0.000 1.223 173 L HN 0.615 nan 8.230 nan 0.000 0.446 174 R N 2.323 122.794 120.500 -0.048 0.000 2.832 174 R HA 0.300 4.640 4.340 0.001 0.000 0.283 174 R C -1.686 174.382 176.300 -0.386 0.000 0.998 174 R CA -1.011 54.968 56.100 -0.201 0.000 0.843 174 R CB 0.281 30.530 30.300 -0.086 0.000 1.332 174 R HN 0.211 nan 8.270 nan 0.000 0.490 175 Y N 0.530 120.637 120.300 -0.322 0.000 2.320 175 Y HA 0.381 4.932 4.550 0.002 0.000 0.324 175 Y C -1.589 174.045 175.900 -0.444 0.000 1.190 175 Y CA -2.301 55.561 58.100 -0.398 0.000 1.215 175 Y CB 1.251 39.539 38.460 -0.287 0.000 1.221 175 Y HN 0.400 nan 8.280 nan 0.000 0.486 176 P HA -0.019 nan 4.420 nan 0.000 0.232 176 P C 0.395 177.542 177.300 -0.255 0.000 1.738 176 P CA 0.312 63.171 63.100 -0.402 0.000 0.948 176 P CB -0.335 31.101 31.700 -0.439 0.000 1.943 177 S N -0.374 115.218 115.700 -0.179 0.000 2.453 177 S HA -0.111 4.360 4.470 0.001 0.000 0.231 177 S C 0.652 175.324 174.600 0.120 0.000 1.005 177 S CA 0.189 58.382 58.200 -0.013 0.000 0.949 177 S CB -1.057 62.159 63.200 0.027 0.000 0.774 177 S HN 0.319 nan 8.310 nan 0.000 0.510 178 Y N 2.373 122.713 120.300 0.067 0.000 2.356 178 Y HA 0.761 5.312 4.550 0.002 0.000 0.334 178 Y C -0.048 175.902 175.900 0.084 0.000 0.958 178 Y CA -1.218 56.962 58.100 0.133 0.000 1.196 178 Y CB 0.383 39.024 38.460 0.301 0.000 1.137 178 Y HN 0.146 nan 8.280 nan 0.000 0.485 179 T N -1.382 113.259 114.554 0.146 0.000 2.883 179 T HA 0.320 4.671 4.350 0.001 0.000 0.301 179 T C 0.509 175.251 174.700 0.070 0.000 1.158 179 T CA -0.657 61.488 62.100 0.075 0.000 1.007 179 T CB 1.597 70.472 68.868 0.012 0.000 1.186 179 T HN 0.477 nan 8.240 nan 0.000 0.499 180 T N 1.698 116.280 114.554 0.046 0.000 2.674 180 T HA -0.111 4.240 4.350 0.001 0.000 0.265 180 T C 2.239 176.951 174.700 0.020 0.000 1.039 180 T CA 2.175 64.293 62.100 0.030 0.000 1.150 180 T CB -0.746 68.132 68.868 0.017 0.000 0.864 180 T HN 0.834 nan 8.240 nan 0.000 0.427 181 S N 1.462 117.169 115.700 0.011 0.000 2.419 181 S HA -0.133 4.337 4.470 0.001 0.000 0.235 181 S C 1.617 176.224 174.600 0.011 0.000 1.019 181 S CA 1.145 59.348 58.200 0.004 0.000 0.982 181 S CB -0.330 62.866 63.200 -0.006 0.000 0.789 181 S HN 0.371 nan 8.310 nan 0.000 0.490 182 D N 0.985 121.398 120.400 0.022 0.000 2.339 182 D HA 0.216 4.857 4.640 0.001 0.000 0.217 182 D C 1.216 177.534 176.300 0.031 0.000 1.050 182 D CA 0.520 54.536 54.000 0.028 0.000 0.856 182 D CB -0.342 40.481 40.800 0.039 0.000 0.922 182 D HN 0.454 nan 8.370 nan 0.000 0.518 183 G N 0.934 109.752 108.800 0.031 0.000 2.295 183 G HA2 -0.267 3.694 3.960 0.001 0.000 0.287 183 G HA3 -0.267 3.694 3.960 0.001 0.000 0.287 183 G C 0.675 175.601 174.900 0.044 0.000 1.055 183 G CA 0.914 46.031 45.100 0.028 0.000 0.922 183 G HN 0.444 nan 8.290 nan 0.000 0.503 184 T N -2.981 111.617 114.554 0.073 0.000 3.337 184 T HA 0.586 4.937 4.350 0.001 0.000 0.299 184 T C 1.087 175.895 174.700 0.179 0.000 0.998 184 T CA 0.678 62.847 62.100 0.114 0.000 0.948 184 T CB 0.878 69.823 68.868 0.128 0.000 1.170 184 T HN 1.345 nan 8.240 nan 0.000 0.508 185 G N 0.810 109.682 108.800 0.119 0.000 2.572 185 G HA2 0.416 4.377 3.960 0.001 0.000 0.261 185 G HA3 0.416 4.377 3.960 0.001 0.000 0.261 185 G C -0.456 174.440 174.900 -0.008 0.000 1.197 185 G CA -0.859 44.313 45.100 0.119 0.000 0.870 185 G HN 0.496 nan 8.290 nan 0.000 0.548 186 Y N 1.910 121.982 120.300 -0.380 0.000 2.904 186 Y HA 0.161 4.712 4.550 0.002 0.000 0.336 186 Y C -1.029 174.601 175.900 -0.451 0.000 1.263 186 Y CA -0.766 56.816 58.100 -0.863 0.000 1.547 186 Y CB 0.888 38.609 38.460 -1.233 0.000 1.272 186 Y HN 0.336 nan 8.280 nan 0.000 0.596 187 P HA 0.180 nan 4.420 nan 0.000 0.248 187 P C -0.724 176.423 177.300 -0.255 0.000 1.708 187 P CA -0.139 62.265 63.100 -1.161 0.000 1.062 187 P CB 0.107 31.061 31.700 -1.243 0.000 1.562 188 S N 1.114 116.761 115.700 -0.087 0.000 2.606 188 S HA 0.213 4.683 4.470 0.001 0.000 0.257 188 S C 0.832 175.561 174.600 0.216 0.000 1.327 188 S CA -0.561 57.681 58.200 0.070 0.000 0.984 188 S CB 0.464 63.700 63.200 0.058 0.000 0.941 188 S HN 0.388 nan 8.310 nan 0.000 0.576 189 R N -0.044 120.528 120.500 0.119 0.000 2.707 189 R HA 0.556 4.897 4.340 0.001 0.000 0.270 189 R C 0.446 176.794 176.300 0.079 0.000 1.083 189 R CA -0.446 55.701 56.100 0.078 0.000 1.182 189 R CB -0.159 30.165 30.300 0.040 0.000 1.084 189 R HN 0.587 nan 8.270 nan 0.000 0.528 190 G N 0.458 109.262 108.800 0.006 0.000 2.461 190 G HA2 0.373 4.334 3.960 0.001 0.000 0.329 190 G HA3 0.373 4.334 3.960 0.001 0.000 0.329 190 G C -1.011 173.836 174.900 -0.088 0.000 1.170 190 G CA -1.086 44.022 45.100 0.013 0.000 0.935 190 G HN 0.484 nan 8.290 nan 0.000 0.492 191 K N -0.251 120.119 120.400 -0.051 0.000 2.118 191 K HA 0.392 4.713 4.320 0.001 0.000 0.254 191 K C -0.944 175.612 176.600 -0.072 0.000 0.961 191 K CA -0.451 55.810 56.287 -0.043 0.000 0.876 191 K CB 1.702 34.220 32.500 0.030 0.000 1.077 191 K HN 0.329 nan 8.250 nan 0.000 0.440 192 F N 1.480 121.483 119.950 0.089 0.000 2.459 192 F HA 0.035 4.562 4.527 0.001 0.000 0.346 192 F C 1.186 177.140 175.800 0.256 0.000 1.128 192 F CA 0.233 58.282 58.000 0.082 0.000 1.268 192 F CB 0.757 39.733 39.000 -0.040 0.000 1.161 192 F HN 0.219 nan 8.300 nan 0.000 0.583 193 Q N 3.132 123.153 119.800 0.368 0.000 2.647 193 Q HA 0.445 4.786 4.340 0.001 0.000 0.400 193 Q C -0.520 175.742 176.000 0.436 0.000 0.959 193 Q CA -0.167 55.881 55.803 0.408 0.000 1.079 193 Q CB 1.218 30.149 28.738 0.322 0.000 1.351 193 Q HN 0.656 nan 8.270 nan 0.000 0.411 194 A N 0.523 123.522 122.820 0.299 0.000 3.234 194 A HA 0.397 4.718 4.320 0.001 0.000 0.247 194 A C -0.636 176.790 177.584 -0.263 0.000 0.938 194 A CA -0.283 51.817 52.037 0.105 0.000 1.039 194 A CB 0.019 19.140 19.000 0.201 0.000 1.197 194 A HN 0.360 nan 8.150 nan 0.000 0.498 195 Y N 0.463 120.897 120.300 0.223 0.000 2.660 195 Y HA 0.161 4.712 4.550 0.001 0.000 0.254 195 Y C 1.423 177.418 175.900 0.158 0.000 1.176 195 Y CA 0.199 58.398 58.100 0.165 0.000 1.195 195 Y CB 0.262 38.799 38.460 0.128 0.000 1.190 195 Y HN 0.427 nan 8.280 nan 0.000 0.535 196 T N -2.315 112.382 114.554 0.238 0.000 2.766 196 T HA 0.057 4.408 4.350 0.001 0.000 0.295 196 T C 1.184 175.981 174.700 0.161 0.000 1.024 196 T CA -0.524 61.681 62.100 0.174 0.000 1.018 196 T CB 1.233 70.144 68.868 0.072 0.000 1.002 196 T HN 0.120 nan 8.240 nan 0.000 0.532 197 E N -0.039 120.249 120.200 0.147 0.000 2.106 197 E HA -0.042 4.309 4.350 0.001 0.000 0.192 197 E C 1.614 178.303 176.600 0.148 0.000 0.984 197 E CA 0.647 57.128 56.400 0.135 0.000 0.806 197 E CB -0.440 29.333 29.700 0.122 0.000 0.750 197 E HN 0.716 nan 8.360 nan 0.000 0.458 198 F N 2.048 122.013 119.950 0.026 0.000 2.065 198 F HA -0.269 4.259 4.527 0.001 0.000 0.298 198 F C 2.349 178.207 175.800 0.096 0.000 1.112 198 F CA 1.623 59.642 58.000 0.031 0.000 1.212 198 F CB -0.591 38.390 39.000 -0.032 0.000 0.975 198 F HN 0.005 nan 8.300 nan 0.000 0.476 199 A N 0.065 122.971 122.820 0.142 0.000 1.873 199 A HA -0.284 4.037 4.320 0.001 0.000 0.218 199 A C 2.224 179.908 177.584 0.166 0.000 1.193 199 A CA 2.282 54.436 52.037 0.195 0.000 0.629 199 A CB -0.898 18.249 19.000 0.244 0.000 0.826 199 A HN 0.462 nan 8.150 nan 0.000 0.447 200 K N -0.075 120.380 120.400 0.091 0.000 2.032 200 K HA -0.178 4.142 4.320 0.001 0.000 0.218 200 K C 2.321 178.913 176.600 -0.012 0.000 1.054 200 K CA 1.933 58.250 56.287 0.051 0.000 0.941 200 K CB -0.410 32.126 32.500 0.060 0.000 0.720 200 K HN 0.425 nan 8.250 nan 0.000 0.449 201 S N 0.703 116.371 115.700 -0.053 0.000 2.402 201 S HA -0.160 4.311 4.470 0.001 0.000 0.233 201 S C 1.806 176.337 174.600 -0.115 0.000 1.030 201 S CA 1.449 59.592 58.200 -0.096 0.000 1.003 201 S CB -0.136 62.987 63.200 -0.128 0.000 0.813 201 S HN 0.180 nan 8.310 nan 0.000 0.477 202 K N 0.620 120.956 120.400 -0.106 0.000 2.103 202 K HA 0.129 4.449 4.320 0.001 0.000 0.204 202 K C 1.604 178.202 176.600 -0.004 0.000 1.052 202 K CA 0.620 56.931 56.287 0.040 0.000 0.945 202 K CB -0.410 32.183 32.500 0.154 0.000 0.722 202 K HN 0.368 nan 8.250 nan 0.000 0.443 203 F N 1.389 120.996 119.950 -0.571 0.000 2.084 203 F HA -0.073 4.454 4.527 0.001 0.000 0.296 203 F C 2.185 177.760 175.800 -0.375 0.000 1.111 203 F CA 1.540 58.777 58.000 -1.272 0.000 1.224 203 F CB -0.546 37.387 39.000 -1.777 0.000 0.991 203 F HN -0.097 nan 8.300 nan 0.000 0.471 204 R N 0.379 120.554 120.500 -0.542 0.000 2.113 204 R HA -0.202 4.139 4.340 0.001 0.000 0.244 204 R C 2.222 178.369 176.300 -0.254 0.000 1.142 204 R CA 2.118 57.973 56.100 -0.408 0.000 0.953 204 R CB -0.615 29.565 30.300 -0.201 0.000 0.860 204 R HN 0.404 nan 8.270 nan 0.000 0.438 205 L N -0.606 120.530 121.223 -0.144 0.000 2.056 205 L HA -0.186 4.154 4.340 0.001 0.000 0.207 205 L C 2.189 179.049 176.870 -0.018 0.000 1.078 205 L CA 1.650 56.451 54.840 -0.066 0.000 0.749 205 L CB -1.146 40.905 42.059 -0.013 0.000 0.901 205 L HN 0.463 nan 8.230 nan 0.000 0.433 206 W N 0.232 121.431 121.300 -0.169 0.000 2.363 206 W HA -0.169 4.492 4.660 0.001 0.000 0.296 206 W C 2.266 178.695 176.519 -0.151 0.000 1.212 206 W CA 1.337 58.630 57.345 -0.087 0.000 1.260 206 W CB -0.189 29.287 29.460 0.026 0.000 1.131 206 W HN -0.178 nan 8.180 nan 0.000 0.530 207 V N 1.340 121.216 119.914 -0.063 0.000 2.261 207 V HA -0.342 3.779 4.120 0.001 0.000 0.246 207 V C 2.344 178.252 176.094 -0.309 0.000 1.047 207 V CA 2.170 64.336 62.300 -0.224 0.000 1.015 207 V CB -1.106 30.570 31.823 -0.245 0.000 0.642 207 V HN 0.237 nan 8.190 nan 0.000 0.446 208 L N 0.038 121.115 121.223 -0.244 0.000 2.017 208 L HA -0.193 4.148 4.340 0.001 0.000 0.208 208 L C 2.525 179.261 176.870 -0.223 0.000 1.073 208 L CA 1.810 56.530 54.840 -0.200 0.000 0.745 208 L CB -0.838 41.128 42.059 -0.154 0.000 0.894 208 L HN 0.421 nan 8.230 nan 0.000 0.432 209 N N 0.392 118.948 118.700 -0.240 0.000 2.091 209 N HA -0.282 4.458 4.740 0.001 0.000 0.193 209 N C 1.905 177.191 175.510 -0.374 0.000 1.021 209 N CA 1.784 54.680 53.050 -0.256 0.000 0.862 209 N CB 0.074 38.424 38.487 -0.229 0.000 1.018 209 N HN 0.333 nan 8.380 nan 0.000 0.429 210 K N -0.567 119.470 120.400 -0.605 0.000 1.991 210 K HA -0.134 4.186 4.320 0.001 0.000 0.207 210 K C 1.806 178.030 176.600 -0.626 0.000 1.045 210 K CA 1.215 57.029 56.287 -0.788 0.000 0.937 210 K CB -0.149 31.563 32.500 -1.313 0.000 0.720 210 K HN 0.123 nan 8.250 nan 0.000 0.438 211 Y N -0.623 119.503 120.300 -0.289 0.000 2.337 211 Y HA 0.088 4.639 4.550 0.001 0.000 0.293 211 Y C 1.924 177.712 175.900 -0.185 0.000 1.123 211 Y CA 0.996 58.957 58.100 -0.232 0.000 1.201 211 Y CB 0.070 38.353 38.460 -0.295 0.000 1.011 211 Y HN 0.517 nan 8.280 nan 0.000 0.545 212 G N -0.763 107.990 108.800 -0.077 0.000 2.527 212 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 212 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 212 G C 0.229 175.085 174.900 -0.073 0.000 1.177 212 G CA 0.209 45.263 45.100 -0.076 0.000 0.695 212 G HN 0.535 nan 8.290 nan 0.000 0.517 213 S N -0.406 115.252 115.700 -0.070 0.000 2.546 213 S HA 0.659 5.130 4.470 0.001 0.000 0.274 213 S C 0.518 175.042 174.600 -0.128 0.000 1.121 213 S CA 0.106 58.252 58.200 -0.090 0.000 0.887 213 S CB 2.145 65.300 63.200 -0.075 0.000 1.094 213 S HN 1.245 nan 8.310 nan 0.000 0.474 214 L N 2.434 123.577 121.223 -0.133 0.000 2.089 214 L HA -0.155 4.185 4.340 0.001 0.000 0.213 214 L C 1.771 178.541 176.870 -0.167 0.000 1.079 214 L CA 2.054 56.795 54.840 -0.165 0.000 0.758 214 L CB -1.230 40.754 42.059 -0.126 0.000 0.891 214 L HN 0.888 nan 8.230 nan 0.000 0.433 215 N N -0.907 117.719 118.700 -0.124 0.000 2.007 215 N HA -0.230 4.510 4.740 0.001 0.000 0.197 215 N C 1.616 177.036 175.510 -0.150 0.000 1.050 215 N CA 1.469 54.452 53.050 -0.112 0.000 0.856 215 N CB -0.080 38.358 38.487 -0.081 0.000 1.050 215 N HN 0.341 nan 8.380 nan 0.000 0.423 216 E N 0.644 120.756 120.200 -0.146 0.000 2.171 216 E HA -0.131 4.219 4.350 0.001 0.000 0.197 216 E C 2.121 178.493 176.600 -0.380 0.000 0.997 216 E CA 0.435 56.727 56.400 -0.181 0.000 0.810 216 E CB -0.512 29.138 29.700 -0.083 0.000 0.738 216 E HN 0.212 nan 8.360 nan 0.000 0.467 217 V N 2.025 121.674 119.914 -0.440 0.000 2.220 217 V HA -0.276 3.845 4.120 0.001 0.000 0.246 217 V C 2.114 177.834 176.094 -0.624 0.000 1.049 217 V CA 1.944 63.779 62.300 -0.776 0.000 1.003 217 V CB -0.551 30.829 31.823 -0.739 0.000 0.634 217 V HN 0.250 nan 8.190 nan 0.000 0.444 218 N N -0.256 118.239 118.700 -0.342 0.000 2.205 218 N HA -0.176 4.565 4.740 0.001 0.000 0.186 218 N C 1.763 177.204 175.510 -0.115 0.000 1.015 218 N CA 1.353 54.308 53.050 -0.159 0.000 0.862 218 N CB -0.264 38.159 38.487 -0.106 0.000 0.986 218 N HN 0.506 nan 8.380 nan 0.000 0.429 219 K N 0.820 121.120 120.400 -0.167 0.000 1.970 219 K HA -0.120 4.201 4.320 0.001 0.000 0.225 219 K C 1.913 178.447 176.600 -0.110 0.000 1.045 219 K CA 1.613 57.824 56.287 -0.126 0.000 1.002 219 K CB -0.318 32.093 32.500 -0.148 0.000 0.743 219 K HN 0.067 nan 8.250 nan 0.000 0.445 220 A N 0.402 123.094 122.820 -0.213 0.000 1.997 220 A HA -0.185 4.136 4.320 0.001 0.000 0.221 220 A C 1.604 179.243 177.584 0.090 0.000 1.172 220 A CA 1.716 53.666 52.037 -0.143 0.000 0.645 220 A CB -0.850 17.898 19.000 -0.421 0.000 0.813 220 A HN 0.613 nan 8.150 nan 0.000 0.454 221 W N -0.559 120.649 121.300 -0.153 0.000 3.180 221 W HA 0.363 5.024 4.660 0.002 0.000 0.254 221 W C 1.533 178.029 176.519 -0.037 0.000 1.318 221 W CA -0.205 57.116 57.345 -0.040 0.000 1.608 221 W CB -1.283 28.177 29.460 -0.001 0.000 1.124 221 W HN 0.566 nan 8.180 nan 0.000 0.694 222 G N 2.152 111.031 108.800 0.132 0.000 2.395 222 G HA2 -0.259 3.701 3.960 0.001 0.000 0.300 222 G HA3 -0.259 3.701 3.960 0.001 0.000 0.300 222 G C 0.386 175.326 174.900 0.067 0.000 0.998 222 G CA 0.956 46.095 45.100 0.064 0.000 1.046 222 G HN 0.261 nan 8.290 nan 0.000 0.513 223 T N -3.514 111.088 114.554 0.081 0.000 2.926 223 T HA 0.731 5.082 4.350 0.001 0.000 0.289 223 T C -0.248 174.465 174.700 0.022 0.000 1.054 223 T CA -0.965 61.173 62.100 0.064 0.000 1.015 223 T CB 2.462 71.407 68.868 0.128 0.000 1.167 223 T HN 0.202 nan 8.240 nan 0.000 0.526 224 K N 1.234 121.640 120.400 0.011 0.000 2.499 224 K HA 0.512 4.833 4.320 0.001 0.000 0.215 224 K C -1.094 175.503 176.600 -0.005 0.000 1.041 224 K CA -0.435 55.849 56.287 -0.006 0.000 1.031 224 K CB -0.143 32.351 32.500 -0.010 0.000 1.479 224 K HN 0.499 nan 8.250 nan 0.000 0.518 225 L N 4.878 126.095 121.223 -0.009 0.000 2.307 225 L HA 0.302 4.643 4.340 0.001 0.000 0.282 225 L C 1.163 178.018 176.870 -0.025 0.000 1.051 225 L CA -0.624 54.210 54.840 -0.009 0.000 0.804 225 L CB 1.003 43.062 42.059 0.000 0.000 1.197 225 L HN 0.510 nan 8.230 nan 0.000 0.431 226 I N 0.045 120.603 120.570 -0.020 0.000 2.188 226 I HA -0.006 4.165 4.170 0.001 0.000 0.237 226 I C 1.103 177.203 176.117 -0.030 0.000 1.073 226 I CA 0.569 61.855 61.300 -0.023 0.000 1.359 226 I CB -0.662 37.328 38.000 -0.017 0.000 1.083 226 I HN 0.579 nan 8.210 nan 0.000 0.412 227 S N 0.056 115.741 115.700 -0.025 0.000 2.593 227 S HA 0.424 4.895 4.470 0.001 0.000 0.297 227 S C 0.541 175.119 174.600 -0.037 0.000 1.112 227 S CA -0.627 57.555 58.200 -0.030 0.000 1.043 227 S CB 1.963 65.151 63.200 -0.020 0.000 1.054 227 S HN 0.255 nan 8.310 nan 0.000 0.516 228 E N 0.717 120.888 120.200 -0.049 0.000 2.147 228 E HA -0.124 4.227 4.350 0.001 0.000 0.199 228 E C 1.266 177.840 176.600 -0.043 0.000 1.005 228 E CA 1.021 57.383 56.400 -0.064 0.000 0.810 228 E CB -0.499 29.161 29.700 -0.067 0.000 0.736 228 E HN 0.518 nan 8.360 nan 0.000 0.460 229 L N -0.307 120.902 121.223 -0.024 0.000 2.642 229 L HA -0.043 4.298 4.340 0.001 0.000 0.236 229 L C 1.620 178.495 176.870 0.008 0.000 1.169 229 L CA 1.125 55.961 54.840 -0.007 0.000 0.851 229 L CB -0.754 41.304 42.059 -0.001 0.000 0.968 229 L HN 0.131 nan 8.230 nan 0.000 0.453 230 A N -1.619 121.206 122.820 0.008 0.000 2.303 230 A HA 0.273 4.594 4.320 0.001 0.000 0.217 230 A C 1.122 178.747 177.584 0.069 0.000 1.205 230 A CA -0.300 51.755 52.037 0.029 0.000 0.875 230 A CB -0.164 18.848 19.000 0.019 0.000 0.910 230 A HN 0.197 nan 8.150 nan 0.000 0.501 231 I N 1.878 122.485 120.570 0.062 0.000 2.460 231 I HA 0.136 4.307 4.170 0.001 0.000 0.297 231 I C -0.550 175.661 176.117 0.157 0.000 1.139 231 I CA 0.583 61.973 61.300 0.149 0.000 1.340 231 I CB -0.087 37.902 38.000 -0.019 0.000 1.444 231 I HN 0.209 nan 8.210 nan 0.000 0.557 232 L N 8.339 129.719 121.223 0.261 0.000 2.283 232 L HA 0.639 4.980 4.340 0.001 0.000 0.259 232 L C -2.159 174.867 176.870 0.260 0.000 1.027 232 L CA -1.834 53.149 54.840 0.238 0.000 0.828 232 L CB 2.114 44.238 42.059 0.108 0.000 1.380 232 L HN 0.296 nan 8.230 nan 0.000 0.425 233 P HA 0.198 nan 4.420 nan 0.000 0.275 233 P C -2.727 174.300 177.300 -0.454 0.000 1.266 233 P CA -1.387 61.317 63.100 -0.660 0.000 0.793 233 P CB -0.553 30.669 31.700 -0.797 0.000 1.074 234 P HA 0.010 nan 4.420 nan 0.000 0.265 234 P C 0.844 178.092 177.300 -0.087 0.000 1.193 234 P CA 0.398 63.260 63.100 -0.397 0.000 0.765 234 P CB -0.080 31.151 31.700 -0.780 0.000 0.823 235 S N 0.098 115.781 115.700 -0.029 0.000 2.496 235 S HA -0.004 4.467 4.470 0.001 0.000 0.224 235 S C 0.553 175.148 174.600 -0.009 0.000 0.996 235 S CA 0.459 58.660 58.200 0.002 0.000 0.927 235 S CB -0.093 63.104 63.200 -0.004 0.000 0.774 235 S HN 0.514 nan 8.310 nan 0.000 0.524 236 D N 0.337 120.747 120.400 0.018 0.000 2.386 236 D HA 0.365 5.006 4.640 0.001 0.000 0.247 236 D C 0.912 177.287 176.300 0.124 0.000 1.336 236 D CA -0.211 53.819 54.000 0.051 0.000 0.976 236 D CB 1.358 42.192 40.800 0.056 0.000 1.257 236 D HN 0.132 nan 8.370 nan 0.000 0.570 237 G N 2.765 111.649 108.800 0.139 0.000 2.442 237 G HA2 -0.284 3.677 3.960 0.001 0.000 0.219 237 G HA3 -0.284 3.677 3.960 0.001 0.000 0.219 237 G C 1.162 176.229 174.900 0.278 0.000 1.141 237 G CA 0.862 46.130 45.100 0.281 0.000 0.763 237 G HN 0.561 nan 8.290 nan 0.000 0.554 238 E N -0.145 120.156 120.200 0.168 0.000 2.017 238 E HA -0.227 4.124 4.350 0.001 0.000 0.193 238 E C 2.425 179.113 176.600 0.146 0.000 0.997 238 E CA 1.282 57.764 56.400 0.135 0.000 0.804 238 E CB -0.285 29.466 29.700 0.086 0.000 0.757 238 E HN 0.544 nan 8.360 nan 0.000 0.448 239 Q N -0.219 119.661 119.800 0.134 0.000 2.197 239 Q HA -0.226 4.115 4.340 0.001 0.000 0.207 239 Q C 2.039 178.126 176.000 0.145 0.000 0.984 239 Q CA 1.586 57.457 55.803 0.114 0.000 0.869 239 Q CB -0.263 28.532 28.738 0.094 0.000 0.906 239 Q HN 0.387 nan 8.270 nan 0.000 0.426 240 F N 0.680 120.682 119.950 0.087 0.000 2.146 240 F HA -0.111 4.417 4.527 0.002 0.000 0.298 240 F C 1.807 177.736 175.800 0.215 0.000 1.096 240 F CA 1.134 59.194 58.000 0.099 0.000 1.275 240 F CB -0.022 38.981 39.000 0.004 0.000 1.008 240 F HN 0.033 nan 8.300 nan 0.000 0.480 241 L N -0.552 120.833 121.223 0.271 0.000 2.240 241 L HA -0.174 4.167 4.340 0.001 0.000 0.211 241 L C 2.433 179.390 176.870 0.145 0.000 1.106 241 L CA 0.717 55.644 54.840 0.145 0.000 0.793 241 L CB -0.586 41.551 42.059 0.129 0.000 0.927 241 L HN 0.198 nan 8.230 nan 0.000 0.446 242 M N 0.334 120.024 119.600 0.150 0.000 2.067 242 M HA -0.159 4.322 4.480 0.001 0.000 0.260 242 M C 1.519 177.919 176.300 0.166 0.000 1.069 242 M CA 2.059 57.442 55.300 0.138 0.000 1.117 242 M CB -0.263 32.382 32.600 0.074 0.000 1.334 242 M HN 0.528 nan 8.290 nan 0.000 0.407 243 N N -2.263 116.455 118.700 0.031 0.000 1.885 243 N HA 0.016 4.757 4.740 0.001 0.000 0.229 243 N C 1.369 176.642 175.510 -0.395 0.000 1.411 243 N CA 0.724 53.636 53.050 -0.230 0.000 0.790 243 N CB -0.506 37.887 38.487 -0.157 0.000 1.064 243 N HN 0.241 nan 8.380 nan 0.000 0.492 244 G N 1.891 110.502 108.800 -0.314 0.000 2.505 244 G HA2 -0.356 3.605 3.960 0.001 0.000 0.220 244 G HA3 -0.356 3.605 3.960 0.001 0.000 0.220 244 G C 1.341 175.837 174.900 -0.674 0.000 1.145 244 G CA 1.644 46.486 45.100 -0.430 0.000 0.761 244 G HN 0.570 nan 8.290 nan 0.000 0.571 245 Y N 0.268 119.982 120.300 -0.975 0.000 2.315 245 Y HA 0.069 4.620 4.550 0.001 0.000 0.288 245 Y C 2.268 177.997 175.900 -0.286 0.000 1.154 245 Y CA 0.860 58.533 58.100 -0.713 0.000 1.229 245 Y CB -0.560 37.596 38.460 -0.506 0.000 0.980 245 Y HN 0.146 nan 8.280 nan 0.000 0.540 246 L N 0.839 121.571 121.223 -0.819 0.000 2.141 246 L HA -0.086 4.255 4.340 0.001 0.000 0.209 246 L C 1.718 178.450 176.870 -0.230 0.000 1.094 246 L CA 0.702 55.223 54.840 -0.531 0.000 0.763 246 L CB -0.656 41.036 42.059 -0.612 0.000 0.908 246 L HN 0.388 nan 8.230 nan 0.000 0.437 247 S N -0.906 114.681 115.700 -0.189 0.000 2.589 247 S HA -0.049 4.422 4.470 0.001 0.000 0.265 247 S C 0.977 175.576 174.600 -0.002 0.000 1.342 247 S CA -0.516 57.645 58.200 -0.067 0.000 1.005 247 S CB 0.849 64.032 63.200 -0.027 0.000 0.909 247 S HN 0.093 nan 8.310 nan 0.000 0.555 248 M N 1.038 120.675 119.600 0.062 0.000 2.149 248 M HA -0.036 4.445 4.480 0.001 0.000 0.261 248 M C 1.673 178.032 176.300 0.098 0.000 1.064 248 M CA 1.522 56.913 55.300 0.151 0.000 1.102 248 M CB -1.470 31.274 32.600 0.239 0.000 1.369 248 M HN 0.895 nan 8.290 nan 0.000 0.408 249 Y N -0.086 120.030 120.300 -0.306 0.000 2.070 249 Y HA -0.074 4.477 4.550 0.001 0.000 0.280 249 Y C 2.111 177.882 175.900 -0.214 0.000 1.148 249 Y CA 2.151 59.766 58.100 -0.808 0.000 1.125 249 Y CB -1.219 36.716 38.460 -0.875 0.000 0.975 249 Y HN 0.239 nan 8.280 nan 0.000 0.492 250 G N 0.153 108.803 108.800 -0.250 0.000 2.469 250 G HA2 -0.319 3.642 3.960 0.001 0.000 0.219 250 G HA3 -0.319 3.642 3.960 0.001 0.000 0.219 250 G C 1.658 176.575 174.900 0.028 0.000 1.150 250 G CA 1.299 46.339 45.100 -0.100 0.000 0.763 250 G HN 0.455 nan 8.290 nan 0.000 0.561 251 K N 0.122 120.548 120.400 0.045 0.000 2.148 251 K HA -0.005 4.316 4.320 0.001 0.000 0.204 251 K C 2.094 178.807 176.600 0.189 0.000 1.050 251 K CA 1.115 57.477 56.287 0.126 0.000 0.942 251 K CB -0.023 32.560 32.500 0.139 0.000 0.724 251 K HN 0.114 nan 8.250 nan 0.000 0.446 252 D N -0.124 120.435 120.400 0.265 0.000 2.117 252 D HA -0.164 4.477 4.640 0.001 0.000 0.198 252 D C 1.675 178.199 176.300 0.372 0.000 0.982 252 D CA 0.989 55.321 54.000 0.554 0.000 0.828 252 D CB -0.143 41.219 40.800 0.937 0.000 0.967 252 D HN 0.180 nan 8.370 nan 0.000 0.464 253 Y N 1.192 121.457 120.300 -0.059 0.000 2.242 253 Y HA -0.093 4.457 4.550 0.001 0.000 0.291 253 Y C 2.100 177.873 175.900 -0.213 0.000 1.137 253 Y CA 1.194 59.043 58.100 -0.418 0.000 1.181 253 Y CB -0.219 37.639 38.460 -1.003 0.000 0.989 253 Y HN -0.087 nan 8.280 nan 0.000 0.527 254 L N -0.110 121.061 121.223 -0.087 0.000 2.109 254 L HA -0.145 4.196 4.340 0.001 0.000 0.207 254 L C 2.485 179.318 176.870 -0.061 0.000 1.086 254 L CA 1.567 56.373 54.840 -0.057 0.000 0.760 254 L CB -0.555 41.570 42.059 0.110 0.000 0.910 254 L HN 0.246 nan 8.230 nan 0.000 0.437 255 E N -0.164 120.026 120.200 -0.016 0.000 2.077 255 E HA -0.283 4.068 4.350 0.001 0.000 0.193 255 E C 2.039 178.527 176.600 -0.186 0.000 0.989 255 E CA 1.650 58.036 56.400 -0.023 0.000 0.800 255 E CB -0.161 29.639 29.700 0.166 0.000 0.746 255 E HN 0.485 nan 8.360 nan 0.000 0.452 256 W N 0.136 121.036 121.300 -0.666 0.000 2.380 256 W HA -0.242 4.418 4.660 0.001 0.000 0.317 256 W C 1.995 178.219 176.519 -0.493 0.000 1.196 256 W CA 1.739 58.516 57.345 -0.947 0.000 1.307 256 W CB -0.956 27.822 29.460 -1.137 0.000 1.157 256 W HN 0.132 nan 8.180 nan 0.000 0.483 257 Y N 1.654 121.589 120.300 -0.609 0.000 2.069 257 Y HA -0.401 4.149 4.550 0.002 0.000 0.278 257 Y C 2.866 178.549 175.900 -0.362 0.000 1.175 257 Y CA 3.110 60.782 58.100 -0.713 0.000 1.134 257 Y CB -1.207 36.819 38.460 -0.723 0.000 0.965 257 Y HN 0.289 nan 8.280 nan 0.000 0.498 258 Q N -0.595 119.129 119.800 -0.128 0.000 2.170 258 Q HA -0.103 4.238 4.340 0.001 0.000 0.203 258 Q C 2.406 178.311 176.000 -0.158 0.000 0.976 258 Q CA 1.457 57.205 55.803 -0.092 0.000 0.858 258 Q CB -0.632 28.098 28.738 -0.013 0.000 0.907 258 Q HN 0.584 nan 8.270 nan 0.000 0.433 259 G N 1.625 110.288 108.800 -0.229 0.000 2.469 259 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 259 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 259 G C 1.343 176.105 174.900 -0.230 0.000 1.150 259 G CA 1.077 46.053 45.100 -0.207 0.000 0.763 259 G HN 0.362 nan 8.290 nan 0.000 0.561 260 I N 1.228 121.557 120.570 -0.402 0.000 2.118 260 I HA -0.157 4.014 4.170 0.001 0.000 0.241 260 I C 2.907 178.889 176.117 -0.226 0.000 1.070 260 I CA 0.959 62.042 61.300 -0.361 0.000 1.327 260 I CB -1.435 36.270 38.000 -0.493 0.000 1.034 260 I HN 0.184 nan 8.210 nan 0.000 0.405 261 L N 0.194 121.277 121.223 -0.234 0.000 2.083 261 L HA -0.199 4.141 4.340 0.001 0.000 0.209 261 L C 2.490 179.362 176.870 0.004 0.000 1.083 261 L CA 1.395 56.162 54.840 -0.121 0.000 0.752 261 L CB -0.805 41.206 42.059 -0.081 0.000 0.899 261 L HN 0.289 nan 8.230 nan 0.000 0.433 262 E N 0.253 120.454 120.200 0.003 0.000 2.110 262 E HA -0.185 4.166 4.350 0.001 0.000 0.193 262 E C 1.964 178.573 176.600 0.015 0.000 0.988 262 E CA 1.131 57.554 56.400 0.039 0.000 0.804 262 E CB -0.052 29.686 29.700 0.062 0.000 0.745 262 E HN 0.479 nan 8.360 nan 0.000 0.458 263 N N -0.007 118.696 118.700 0.005 0.000 2.250 263 N HA -0.134 4.606 4.740 0.001 0.000 0.181 263 N C 1.693 177.218 175.510 0.025 0.000 1.017 263 N CA 0.916 53.974 53.050 0.013 0.000 0.866 263 N CB -0.368 38.126 38.487 0.013 0.000 0.985 263 N HN 0.243 nan 8.380 nan 0.000 0.429 264 H N 0.870 119.888 119.070 -0.087 0.000 2.353 264 H HA -0.010 4.547 4.556 0.001 0.000 0.300 264 H C 1.566 176.848 175.328 -0.076 0.000 1.090 264 H CA 2.042 58.038 56.048 -0.087 0.000 1.327 264 H CB -0.245 29.456 29.762 -0.101 0.000 1.383 264 H HN 0.044 nan 8.280 nan 0.000 0.508 265 T N 0.196 114.714 114.554 -0.059 0.000 2.720 265 T HA -0.157 4.194 4.350 0.001 0.000 0.268 265 T C 1.908 176.497 174.700 -0.185 0.000 1.037 265 T CA 1.849 63.821 62.100 -0.213 0.000 1.144 265 T CB -0.102 68.579 68.868 -0.312 0.000 0.864 265 T HN 0.331 nan 8.240 nan 0.000 0.444 266 K N 0.197 120.536 120.400 -0.101 0.000 2.062 266 K HA 0.088 4.409 4.320 0.001 0.000 0.205 266 K C 2.077 178.648 176.600 -0.048 0.000 1.051 266 K CA 0.550 56.803 56.287 -0.057 0.000 0.941 266 K CB -0.311 32.179 32.500 -0.017 0.000 0.719 266 K HN 0.112 nan 8.250 nan 0.000 0.440 267 L N 1.802 122.982 121.223 -0.071 0.000 1.976 267 L HA -0.140 4.201 4.340 0.001 0.000 0.209 267 L C 1.997 178.815 176.870 -0.087 0.000 1.071 267 L CA 1.579 56.371 54.840 -0.080 0.000 0.746 267 L CB -0.568 41.429 42.059 -0.102 0.000 0.890 267 L HN 0.302 nan 8.230 nan 0.000 0.432 268 I N -2.425 118.041 120.570 -0.173 0.000 2.264 268 I HA -0.107 4.064 4.170 0.001 0.000 0.248 268 I C 2.250 178.393 176.117 0.044 0.000 1.111 268 I CA 1.713 62.990 61.300 -0.039 0.000 1.382 268 I CB -1.500 36.451 38.000 -0.082 0.000 1.060 268 I HN 0.262 nan 8.210 nan 0.000 0.418 269 G N 0.687 109.477 108.800 -0.016 0.000 2.443 269 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 269 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 269 G C 1.603 176.598 174.900 0.158 0.000 1.131 269 G CA 0.831 45.955 45.100 0.040 0.000 0.775 269 G HN 0.658 nan 8.290 nan 0.000 0.547 270 E N 0.249 120.513 120.200 0.106 0.000 2.046 270 E HA -0.044 4.307 4.350 0.001 0.000 0.190 270 E C 2.472 179.134 176.600 0.103 0.000 0.982 270 E CA 0.438 56.903 56.400 0.109 0.000 0.800 270 E CB -0.236 29.493 29.700 0.049 0.000 0.756 270 E HN 0.425 nan 8.360 nan 0.000 0.449 271 L N 0.597 121.876 121.223 0.093 0.000 2.131 271 L HA -0.166 4.175 4.340 0.001 0.000 0.210 271 L C 2.675 179.622 176.870 0.129 0.000 1.092 271 L CA 1.112 56.023 54.840 0.118 0.000 0.759 271 L CB -0.420 41.719 42.059 0.133 0.000 0.903 271 L HN 0.225 nan 8.230 nan 0.000 0.435 272 A N -1.080 121.798 122.820 0.096 0.000 1.874 272 A HA -0.165 4.155 4.320 0.001 0.000 0.214 272 A C 2.146 179.687 177.584 -0.071 0.000 1.189 272 A CA 0.947 52.939 52.037 -0.075 0.000 0.615 272 A CB -0.650 18.289 19.000 -0.103 0.000 0.830 272 A HN 0.358 nan 8.150 nan 0.000 0.443 273 H N 0.418 119.528 119.070 0.068 0.000 2.353 273 H HA -0.098 4.459 4.556 0.001 0.000 0.300 273 H C 1.951 177.292 175.328 0.021 0.000 1.090 273 H CA 1.673 57.761 56.048 0.067 0.000 1.327 273 H CB -0.244 29.546 29.762 0.047 0.000 1.383 273 H HN 0.416 nan 8.280 nan 0.000 0.508 274 N N 0.812 119.571 118.700 0.098 0.000 2.025 274 N HA -0.121 4.620 4.740 0.001 0.000 0.194 274 N C 2.139 177.614 175.510 -0.058 0.000 1.044 274 N CA 1.440 54.505 53.050 0.026 0.000 0.851 274 N CB -0.580 37.913 38.487 0.009 0.000 1.036 274 N HN 0.325 nan 8.380 nan 0.000 0.422 275 A N -0.118 122.577 122.820 -0.208 0.000 1.933 275 A HA -0.059 4.262 4.320 0.001 0.000 0.218 275 A C 1.616 178.965 177.584 -0.391 0.000 1.175 275 A CA 1.206 53.002 52.037 -0.401 0.000 0.628 275 A CB -0.514 18.057 19.000 -0.716 0.000 0.814 275 A HN 0.248 nan 8.150 nan 0.000 0.444 276 F N -0.801 119.216 119.950 0.111 0.000 2.678 276 F HA 0.149 4.677 4.527 0.001 0.000 0.291 276 F C 1.686 177.607 175.800 0.201 0.000 1.123 276 F CA -0.072 58.055 58.000 0.212 0.000 1.395 276 F CB -0.361 38.692 39.000 0.089 0.000 1.121 276 F HN 0.079 nan 8.300 nan 0.000 0.592 277 D N 0.373 120.940 120.400 0.279 0.000 2.104 277 D HA -0.149 4.492 4.640 0.001 0.000 0.194 277 D C 2.354 178.737 176.300 0.139 0.000 0.994 277 D CA 2.315 56.449 54.000 0.223 0.000 0.830 277 D CB -0.514 40.405 40.800 0.198 0.000 0.959 277 D HN 0.277 nan 8.370 nan 0.000 0.452 278 T N -2.492 112.110 114.554 0.080 0.000 2.857 278 T HA -0.068 4.283 4.350 0.001 0.000 0.266 278 T C 2.058 176.734 174.700 -0.040 0.000 1.048 278 T CA 1.458 63.568 62.100 0.016 0.000 1.139 278 T CB -0.675 68.189 68.868 -0.005 0.000 0.874 278 T HN -0.038 nan 8.240 nan 0.000 0.455 279 T N 1.313 115.816 114.554 -0.086 0.000 2.698 279 T HA 0.137 4.488 4.350 0.001 0.000 0.260 279 T C 1.378 175.813 174.700 -0.441 0.000 1.044 279 T CA 1.187 63.077 62.100 -0.349 0.000 1.149 279 T CB -0.404 68.170 68.868 -0.489 0.000 0.864 279 T HN 0.405 nan 8.240 nan 0.000 0.419 280 F N 0.858 120.851 119.950 0.072 0.000 2.437 280 F HA 0.242 4.770 4.527 0.001 0.000 0.288 280 F C 1.184 177.005 175.800 0.035 0.000 1.085 280 F CA -0.146 57.880 58.000 0.043 0.000 1.430 280 F CB -0.408 38.612 39.000 0.034 0.000 1.120 280 F HN 0.057 nan 8.300 nan 0.000 0.556 281 Q N 0.667 120.598 119.800 0.220 0.000 2.463 281 Q HA -0.142 4.199 4.340 0.001 0.000 0.299 281 Q C -0.636 175.440 176.000 0.127 0.000 1.353 281 Q CA 0.370 56.259 55.803 0.143 0.000 0.828 281 Q CB -2.445 26.344 28.738 0.085 0.000 1.157 281 Q HN 0.363 nan 8.270 nan 0.000 0.436 282 V N -4.591 115.398 119.914 0.126 0.000 3.103 282 V HA 0.824 4.945 4.120 0.001 0.000 0.318 282 V C -2.309 173.791 176.094 0.011 0.000 1.114 282 V CA -2.669 59.659 62.300 0.047 0.000 1.020 282 V CB 1.404 33.225 31.823 -0.004 0.000 1.085 282 V HN -0.085 nan 8.190 nan 0.000 0.446 283 P HA 0.413 nan 4.420 nan 0.000 0.266 283 P C -0.815 176.409 177.300 -0.127 0.000 1.195 283 P CA 0.313 63.388 63.100 -0.041 0.000 0.768 283 P CB 0.240 31.904 31.700 -0.059 0.000 0.838 284 I N 1.450 121.949 120.570 -0.117 0.000 2.474 284 I HA 0.656 4.827 4.170 0.001 0.000 0.294 284 I C 0.729 176.756 176.117 -0.151 0.000 1.005 284 I CA -0.285 60.888 61.300 -0.212 0.000 1.113 284 I CB 2.295 40.118 38.000 -0.296 0.000 1.289 284 I HN 0.391 nan 8.210 nan 0.000 0.436 285 G N 3.310 111.994 108.800 -0.194 0.000 2.733 285 G HA2 0.898 4.859 3.960 0.001 0.000 0.288 285 G HA3 0.898 4.859 3.960 0.001 0.000 0.288 285 G C -1.817 173.199 174.900 0.194 0.000 1.373 285 G CA -0.604 44.464 45.100 -0.053 0.000 0.895 285 G HN 0.822 nan 8.290 nan 0.000 0.479 286 A N -0.306 122.758 122.820 0.406 0.000 2.593 286 A HA 0.888 5.209 4.320 0.001 0.000 0.290 286 A C -0.972 176.907 177.584 0.491 0.000 1.126 286 A CA -0.807 51.510 52.037 0.467 0.000 0.695 286 A CB 1.690 20.905 19.000 0.358 0.000 1.290 286 A HN 0.647 nan 8.150 nan 0.000 0.414 287 K N 0.191 120.801 120.400 0.351 0.000 2.318 287 K HA 0.731 5.052 4.320 0.001 0.000 0.249 287 K C -1.441 175.313 176.600 0.257 0.000 0.942 287 K CA -0.392 56.043 56.287 0.246 0.000 0.808 287 K CB 2.409 34.974 32.500 0.108 0.000 1.189 287 K HN 0.523 nan 8.250 nan 0.000 0.428 288 I N 1.932 122.634 120.570 0.219 0.000 2.404 288 I HA 0.271 4.441 4.170 0.001 0.000 0.293 288 I C -0.018 176.291 176.117 0.320 0.000 0.992 288 I CA -0.707 60.737 61.300 0.240 0.000 1.149 288 I CB 1.843 39.868 38.000 0.042 0.000 1.315 288 I HN 0.731 nan 8.210 nan 0.000 0.446 289 A N 4.297 127.355 122.820 0.396 0.000 2.407 289 A HA 0.510 4.831 4.320 0.001 0.000 0.248 289 A C 0.672 178.434 177.584 0.296 0.000 1.082 289 A CA -0.208 52.024 52.037 0.324 0.000 0.785 289 A CB 0.223 19.486 19.000 0.439 0.000 1.020 289 A HN 0.897 nan 8.150 nan 0.000 0.489 290 G N 0.901 109.697 108.800 -0.005 0.000 2.915 290 G HA2 0.451 4.412 3.960 0.001 0.000 0.298 290 G HA3 0.451 4.412 3.960 0.001 0.000 0.298 290 G C -0.340 174.668 174.900 0.180 0.000 0.837 290 G CA -0.186 44.869 45.100 -0.075 0.000 1.752 290 G HN 0.636 nan 8.290 nan 0.000 0.526 291 V N 3.814 123.842 119.914 0.190 0.000 2.174 291 V HA 0.085 4.206 4.120 0.001 0.000 0.259 291 V C 1.161 177.117 176.094 -0.231 0.000 1.261 291 V CA -0.451 61.656 62.300 -0.322 0.000 1.137 291 V CB -0.824 30.804 31.823 -0.326 0.000 1.290 291 V HN 0.941 nan 8.190 nan 0.000 0.486 292 H N 0.666 119.775 119.070 0.065 0.000 2.547 292 H HA 0.043 4.600 4.556 0.001 0.000 0.272 292 H C 0.609 176.135 175.328 0.331 0.000 0.989 292 H CA -0.304 55.882 56.048 0.229 0.000 1.214 292 H CB -0.192 29.712 29.762 0.236 0.000 1.389 292 H HN 0.658 nan 8.280 nan 0.000 0.577 293 W N 0.319 121.671 121.300 0.086 0.000 2.303 293 W HA 0.441 5.101 4.660 0.001 0.000 0.334 293 W C -0.052 176.555 176.519 0.147 0.000 1.197 293 W CA -1.187 56.248 57.345 0.150 0.000 1.262 293 W CB 1.002 30.486 29.460 0.039 0.000 1.153 293 W HN -0.054 nan 8.180 nan 0.000 0.596 294 Q N 0.386 120.397 119.800 0.351 0.000 2.481 294 Q HA -0.346 3.994 4.340 0.001 0.000 0.258 294 Q C 0.498 176.543 176.000 0.076 0.000 0.961 294 Q CA 1.587 57.502 55.803 0.187 0.000 1.121 294 Q CB -2.791 25.997 28.738 0.084 0.000 1.503 294 Q HN 0.923 nan 8.270 nan 0.000 0.544 295 Y N 2.445 122.779 120.300 0.057 0.000 2.109 295 Y HA -0.149 4.401 4.550 0.001 0.000 0.285 295 Y C 1.672 177.422 175.900 -0.251 0.000 1.131 295 Y CA 2.408 60.489 58.100 -0.031 0.000 1.121 295 Y CB 0.064 38.604 38.460 0.132 0.000 0.987 295 Y HN 0.430 nan 8.280 nan 0.000 0.495 296 N N 0.441 119.242 118.700 0.168 0.000 2.380 296 N HA 0.005 4.746 4.740 0.001 0.000 0.255 296 N C -0.897 174.477 175.510 -0.227 0.000 1.158 296 N CA -0.129 52.930 53.050 0.015 0.000 0.878 296 N CB -0.990 37.653 38.487 0.260 0.000 1.138 296 N HN 0.290 nan 8.380 nan 0.000 0.509 297 N N 2.133 120.502 118.700 -0.552 0.000 2.513 297 N HA 0.121 4.862 4.740 0.001 0.000 0.268 297 N C -1.456 173.749 175.510 -0.508 0.000 1.180 297 N CA -1.305 51.062 53.050 -1.138 0.000 0.948 297 N CB 1.566 39.497 38.487 -0.926 0.000 1.083 297 N HN 0.000 nan 8.380 nan 0.000 0.455 298 P HA -0.100 nan 4.420 nan 0.000 0.215 298 P C 1.074 178.314 177.300 -0.101 0.000 1.157 298 P CA 1.833 64.842 63.100 -0.151 0.000 0.859 298 P CB -0.116 31.548 31.700 -0.060 0.000 0.786 299 T N -2.078 112.420 114.554 -0.093 0.000 3.014 299 T HA 0.057 4.408 4.350 0.001 0.000 0.263 299 T C 1.258 175.940 174.700 -0.029 0.000 1.078 299 T CA 0.185 62.265 62.100 -0.033 0.000 1.135 299 T CB -0.766 68.099 68.868 -0.004 0.000 0.895 299 T HN 0.217 nan 8.240 nan 0.000 0.480 300 I N 0.074 120.594 120.570 -0.084 0.000 2.668 300 I HA 0.502 4.673 4.170 0.001 0.000 0.276 300 I C -3.043 172.968 176.117 -0.177 0.000 1.139 300 I CA -2.995 58.252 61.300 -0.087 0.000 1.133 300 I CB 1.390 39.364 38.000 -0.044 0.000 1.327 300 I HN -0.187 nan 8.210 nan 0.000 0.520 301 P HA -0.057 nan 4.420 nan 0.000 0.267 301 P C -0.027 177.100 177.300 -0.289 0.000 1.200 301 P CA 0.703 63.610 63.100 -0.322 0.000 0.772 301 P CB 0.136 31.691 31.700 -0.242 0.000 0.855 302 H N 0.923 119.845 119.070 -0.246 0.000 2.529 302 H HA -0.168 4.389 4.556 0.002 0.000 0.319 302 H C 1.637 176.858 175.328 -0.178 0.000 1.072 302 H CA 1.013 56.926 56.048 -0.225 0.000 1.126 302 H CB -2.047 27.568 29.762 -0.246 0.000 1.474 302 H HN 0.751 nan 8.280 nan 0.000 0.406 303 G N -0.444 108.295 108.800 -0.102 0.000 2.535 303 G HA2 0.005 3.966 3.960 0.001 0.000 0.218 303 G HA3 0.005 3.966 3.960 0.001 0.000 0.218 303 G C 1.506 176.339 174.900 -0.112 0.000 1.122 303 G CA 0.854 45.903 45.100 -0.085 0.000 0.769 303 G HN 0.603 nan 8.290 nan 0.000 0.549 304 A N -0.082 122.622 122.820 -0.193 0.000 2.055 304 A HA 0.375 4.696 4.320 0.001 0.000 0.205 304 A C 1.925 179.346 177.584 -0.271 0.000 1.235 304 A CA 0.993 52.840 52.037 -0.315 0.000 0.822 304 A CB 0.149 18.649 19.000 -0.832 0.000 0.903 304 A HN 0.297 nan 8.150 nan 0.000 0.473 305 E N 0.515 120.604 120.200 -0.186 0.000 2.051 305 E HA -0.151 4.200 4.350 0.001 0.000 0.192 305 E C 1.889 178.436 176.600 -0.089 0.000 0.991 305 E CA 1.424 57.789 56.400 -0.059 0.000 0.799 305 E CB -0.070 29.685 29.700 0.092 0.000 0.748 305 E HN 0.499 nan 8.360 nan 0.000 0.449 306 K N -0.164 120.193 120.400 -0.072 0.000 2.026 306 K HA -0.120 4.201 4.320 0.001 0.000 0.208 306 K C -0.919 175.646 176.600 -0.057 0.000 1.048 306 K CA 1.478 57.758 56.287 -0.012 0.000 0.929 306 K CB -0.793 31.749 32.500 0.070 0.000 0.713 306 K HN 0.141 nan 8.250 nan 0.000 0.439 307 P HA -0.072 nan 4.420 nan 0.000 0.223 307 P C 0.658 177.868 177.300 -0.151 0.000 1.151 307 P CA 1.119 63.775 63.100 -0.740 0.000 0.787 307 P CB 0.067 31.239 31.700 -0.879 0.000 0.788 308 A N -0.617 122.121 122.820 -0.136 0.000 2.119 308 A HA 0.349 4.670 4.320 0.001 0.000 0.216 308 A C 1.786 179.230 177.584 -0.234 0.000 1.152 308 A CA 1.321 53.265 52.037 -0.155 0.000 0.708 308 A CB -1.198 17.648 19.000 -0.257 0.000 0.805 308 A HN 0.279 nan 8.150 nan 0.000 0.460 309 G N -3.072 105.660 108.800 -0.115 0.000 2.192 309 G HA2 -0.164 3.797 3.960 0.001 0.000 0.193 309 G HA3 -0.164 3.797 3.960 0.001 0.000 0.193 309 G C -0.303 174.549 174.900 -0.080 0.000 0.999 309 G CA -0.020 45.047 45.100 -0.056 0.000 0.659 309 G HN 0.345 nan 8.290 nan 0.000 0.503 310 Y N 1.631 121.922 120.300 -0.016 0.000 2.595 310 Y HA 0.528 5.079 4.550 0.001 0.000 0.336 310 Y C 0.959 176.645 175.900 -0.356 0.000 0.996 310 Y CA -1.596 56.357 58.100 -0.246 0.000 1.260 310 Y CB 0.626 38.883 38.460 -0.338 0.000 1.108 310 Y HN 0.189 nan 8.280 nan 0.000 0.509 311 N N 1.210 119.831 118.700 -0.132 0.000 2.545 311 N HA -0.072 4.669 4.740 0.001 0.000 0.190 311 N C -0.762 174.636 175.510 -0.187 0.000 1.043 311 N CA 0.546 53.520 53.050 -0.127 0.000 0.879 311 N CB 0.675 39.159 38.487 -0.006 0.000 1.210 311 N HN 0.540 nan 8.380 nan 0.000 0.437 312 D N -0.125 120.178 120.400 -0.161 0.000 2.346 312 D HA 0.102 4.743 4.640 0.001 0.000 0.255 312 D C 0.110 176.385 176.300 -0.043 0.000 1.276 312 D CA -0.564 53.396 54.000 -0.066 0.000 0.941 312 D CB -0.052 40.799 40.800 0.084 0.000 1.199 312 D HN -0.041 nan 8.370 nan 0.000 0.537 313 Y N 1.527 121.834 120.300 0.011 0.000 2.298 313 Y HA -0.195 4.355 4.550 0.001 0.000 0.287 313 Y C 2.589 178.481 175.900 -0.014 0.000 1.164 313 Y CA 1.392 59.465 58.100 -0.046 0.000 1.229 313 Y CB -0.343 38.038 38.460 -0.132 0.000 0.977 313 Y HN 0.352 nan 8.280 nan 0.000 0.538 314 S N -1.250 114.539 115.700 0.149 0.000 2.382 314 S HA -0.247 4.224 4.470 0.001 0.000 0.228 314 S C 1.757 176.381 174.600 0.040 0.000 1.027 314 S CA 1.643 59.886 58.200 0.072 0.000 0.991 314 S CB -0.295 62.933 63.200 0.046 0.000 0.823 314 S HN 0.633 nan 8.310 nan 0.000 0.469 315 H N -0.697 118.412 119.070 0.064 0.000 2.415 315 H HA 0.176 4.733 4.556 0.001 0.000 0.297 315 H C 1.843 177.229 175.328 0.096 0.000 1.048 315 H CA 1.061 57.152 56.048 0.072 0.000 1.365 315 H CB -0.066 29.733 29.762 0.062 0.000 1.421 315 H HN 0.212 nan 8.280 nan 0.000 0.533 316 L N 0.556 121.913 121.223 0.223 0.000 1.989 316 L HA -0.171 4.170 4.340 0.001 0.000 0.211 316 L C 1.847 178.876 176.870 0.266 0.000 1.071 316 L CA 1.541 56.515 54.840 0.223 0.000 0.749 316 L CB -0.799 41.365 42.059 0.174 0.000 0.890 316 L HN 0.307 nan 8.230 nan 0.000 0.431 317 L N -0.874 120.441 121.223 0.153 0.000 1.990 317 L HA -0.276 4.065 4.340 0.001 0.000 0.213 317 L C 2.319 179.301 176.870 0.186 0.000 1.072 317 L CA 1.643 56.555 54.840 0.120 0.000 0.755 317 L CB -1.182 40.872 42.059 -0.009 0.000 0.889 317 L HN 0.289 nan 8.230 nan 0.000 0.432 318 D N 0.446 120.911 120.400 0.109 0.000 2.172 318 D HA -0.232 4.409 4.640 0.001 0.000 0.196 318 D C 2.179 178.557 176.300 0.130 0.000 0.999 318 D CA 1.724 55.772 54.000 0.080 0.000 0.856 318 D CB -0.075 40.727 40.800 0.003 0.000 0.934 318 D HN 0.390 nan 8.370 nan 0.000 0.453 319 A N -0.157 122.766 122.820 0.171 0.000 1.972 319 A HA -0.156 4.165 4.320 0.001 0.000 0.219 319 A C 2.052 179.688 177.584 0.088 0.000 1.169 319 A CA 0.915 53.027 52.037 0.124 0.000 0.635 319 A CB -0.789 18.284 19.000 0.121 0.000 0.810 319 A HN 0.135 nan 8.150 nan 0.000 0.446 320 F N -0.059 119.925 119.950 0.056 0.000 2.113 320 F HA -0.068 4.460 4.527 0.001 0.000 0.297 320 F C 2.264 178.092 175.800 0.047 0.000 1.103 320 F CA 1.925 59.959 58.000 0.056 0.000 1.248 320 F CB -0.208 38.823 39.000 0.051 0.000 0.999 320 F HN 0.159 nan 8.300 nan 0.000 0.475 321 K N 0.596 121.126 120.400 0.217 0.000 2.209 321 K HA -0.143 4.178 4.320 0.001 0.000 0.204 321 K C 2.116 178.760 176.600 0.074 0.000 1.048 321 K CA 1.656 58.015 56.287 0.119 0.000 0.940 321 K CB -0.369 32.179 32.500 0.080 0.000 0.729 321 K HN 0.265 nan 8.250 nan 0.000 0.451 322 S N -0.710 115.028 115.700 0.064 0.000 2.406 322 S HA 0.078 4.549 4.470 0.001 0.000 0.224 322 S C 2.145 176.756 174.600 0.019 0.000 1.030 322 S CA 0.450 58.670 58.200 0.033 0.000 0.958 322 S CB -0.284 62.937 63.200 0.035 0.000 0.811 322 S HN 0.276 nan 8.310 nan 0.000 0.489 323 A N 1.645 124.476 122.820 0.019 0.000 2.216 323 A HA 0.168 4.488 4.320 0.001 0.000 0.214 323 A C 0.854 178.496 177.584 0.096 0.000 1.160 323 A CA 0.591 52.646 52.037 0.029 0.000 0.725 323 A CB -0.787 18.192 19.000 -0.034 0.000 0.784 323 A HN 0.599 nan 8.150 nan 0.000 0.472 324 K N -1.327 119.124 120.400 0.084 0.000 3.393 324 K HA -0.152 4.169 4.320 0.001 0.000 0.272 324 K C -1.115 175.656 176.600 0.286 0.000 1.004 324 K CA 0.619 56.983 56.287 0.129 0.000 0.764 324 K CB -1.993 30.463 32.500 -0.075 0.000 1.373 324 K HN 0.500 nan 8.250 nan 0.000 0.458 325 L N 1.336 122.681 121.223 0.203 0.000 2.349 325 L HA 0.313 4.654 4.340 0.001 0.000 0.278 325 L C 0.258 177.294 176.870 0.276 0.000 0.996 325 L CA -1.086 53.870 54.840 0.194 0.000 0.825 325 L CB 1.482 43.590 42.059 0.082 0.000 1.243 325 L HN 0.050 nan 8.230 nan 0.000 0.412 326 D N 1.952 122.453 120.400 0.169 0.000 2.382 326 D HA 0.238 4.879 4.640 0.001 0.000 0.240 326 D C -0.238 176.169 176.300 0.179 0.000 1.146 326 D CA 0.062 54.137 54.000 0.125 0.000 0.897 326 D CB 1.858 42.673 40.800 0.026 0.000 1.197 326 D HN 0.001 nan 8.370 nan 0.000 0.432 327 V N 1.525 121.489 119.914 0.082 0.000 2.483 327 V HA 0.361 4.482 4.120 0.001 0.000 0.295 327 V C 0.396 176.552 176.094 0.104 0.000 1.035 327 V CA -0.503 61.792 62.300 -0.009 0.000 0.896 327 V CB 1.982 33.660 31.823 -0.242 0.000 0.986 327 V HN 0.477 nan 8.190 nan 0.000 0.447 328 T N 5.364 120.039 114.554 0.202 0.000 2.779 328 T HA 0.597 4.947 4.350 0.001 0.000 0.280 328 T C -0.948 173.939 174.700 0.312 0.000 0.987 328 T CA -0.099 62.179 62.100 0.297 0.000 0.966 328 T CB 0.826 69.925 68.868 0.384 0.000 0.933 328 T HN 0.413 nan 8.240 nan 0.000 0.442 329 F N 1.624 121.676 119.950 0.170 0.000 2.579 329 F HA 0.716 5.244 4.527 0.001 0.000 0.324 329 F C 0.469 176.362 175.800 0.155 0.000 1.058 329 F CA -0.572 57.502 58.000 0.123 0.000 0.944 329 F CB 2.162 41.219 39.000 0.095 0.000 1.245 329 F HN 0.518 nan 8.300 nan 0.000 0.477 330 T N 0.534 114.718 114.554 -0.616 0.000 2.735 330 T HA 0.358 4.708 4.350 0.001 0.000 0.262 330 T C -0.010 174.429 174.700 -0.434 0.000 0.955 330 T CA 0.335 62.206 62.100 -0.383 0.000 1.022 330 T CB 0.573 69.267 68.868 -0.289 0.000 1.455 330 T HN 0.868 nan 8.240 nan 0.000 0.583 331 C N 0.394 119.575 119.300 -0.198 0.000 4.392 331 C HA -0.104 4.357 4.460 0.001 0.000 0.280 331 C C 1.830 176.769 174.990 -0.085 0.000 1.381 331 C CA 0.403 59.349 59.018 -0.121 0.000 1.871 331 C CB -2.986 24.681 27.740 -0.122 0.000 1.323 331 C HN 0.753 nan 8.230 nan 0.000 0.772 332 L N 1.146 122.333 121.223 -0.060 0.000 2.549 332 L HA -0.079 4.262 4.340 0.001 0.000 0.229 332 L C 2.451 179.249 176.870 -0.120 0.000 1.158 332 L CA 1.783 56.551 54.840 -0.120 0.000 0.842 332 L CB -0.494 41.412 42.059 -0.255 0.000 0.952 332 L HN 0.674 nan 8.230 nan 0.000 0.452 333 E N 0.355 120.515 120.200 -0.067 0.000 2.479 333 E HA 0.022 4.373 4.350 0.001 0.000 0.193 333 E C 0.671 177.223 176.600 -0.079 0.000 1.049 333 E CA 0.061 56.422 56.400 -0.065 0.000 0.870 333 E CB 0.178 29.872 29.700 -0.010 0.000 0.944 333 E HN 0.420 nan 8.360 nan 0.000 0.492 334 M N 1.321 120.862 119.600 -0.099 0.000 2.444 334 M HA 0.274 4.755 4.480 0.001 0.000 0.319 334 M C 0.208 176.448 176.300 -0.101 0.000 1.183 334 M CA -0.521 54.707 55.300 -0.120 0.000 1.032 334 M CB 1.857 34.341 32.600 -0.195 0.000 1.569 334 M HN -0.078 nan 8.290 nan 0.000 0.468 335 T N -2.919 111.581 114.554 -0.089 0.000 2.950 335 T HA 0.405 4.756 4.350 0.001 0.000 0.288 335 T C -0.556 174.105 174.700 -0.065 0.000 1.035 335 T CA -1.133 60.930 62.100 -0.062 0.000 1.028 335 T CB 1.170 70.015 68.868 -0.038 0.000 1.109 335 T HN 0.424 nan 8.240 nan 0.000 0.514 336 D N 0.957 121.330 120.400 -0.045 0.000 2.390 336 D HA 0.289 4.929 4.640 0.001 0.000 0.249 336 D C 0.655 176.949 176.300 -0.010 0.000 1.144 336 D CA -0.067 53.912 54.000 -0.035 0.000 0.880 336 D CB 1.540 42.323 40.800 -0.027 0.000 1.182 336 D HN 0.576 nan 8.370 nan 0.000 0.451 337 K N 0.567 120.972 120.400 0.008 0.000 2.344 337 K HA 0.236 4.557 4.320 0.001 0.000 0.229 337 K C 0.895 177.518 176.600 0.038 0.000 1.112 337 K CA 0.128 56.427 56.287 0.021 0.000 0.850 337 K CB 0.201 32.716 32.500 0.024 0.000 1.311 337 K HN 0.494 nan 8.250 nan 0.000 0.448 338 G N 2.586 111.426 108.800 0.067 0.000 2.272 338 G HA2 -0.237 3.724 3.960 0.001 0.000 0.280 338 G HA3 -0.237 3.724 3.960 0.001 0.000 0.280 338 G C -0.141 174.812 174.900 0.088 0.000 1.067 338 G CA 0.563 45.735 45.100 0.120 0.000 0.902 338 G HN 0.407 nan 8.290 nan 0.000 0.500 339 S N -1.445 114.221 115.700 -0.058 0.000 2.709 339 S HA 0.751 5.221 4.470 0.001 0.000 0.302 339 S C -0.308 173.975 174.600 -0.529 0.000 1.127 339 S CA -1.022 57.081 58.200 -0.162 0.000 0.905 339 S CB 2.009 65.174 63.200 -0.057 0.000 1.151 339 S HN 1.247 nan 8.310 nan 0.000 0.510 340 Y N 2.654 122.592 120.300 -0.605 0.000 2.336 340 Y HA 0.472 5.024 4.550 0.003 0.000 0.331 340 Y C -1.693 174.009 175.900 -0.330 0.000 1.211 340 Y CA -1.394 56.305 58.100 -0.669 0.000 1.346 340 Y CB 1.006 39.300 38.460 -0.277 0.000 1.271 340 Y HN 0.555 nan 8.280 nan 0.000 0.538 341 P HA 0.177 nan 4.420 nan 0.000 0.272 341 P C -0.398 176.561 177.300 -0.568 0.000 1.408 341 P CA 0.343 62.644 63.100 -1.333 0.000 0.996 341 P CB 0.662 31.425 31.700 -1.562 0.000 1.481 342 E N -1.034 118.911 120.200 -0.425 0.000 2.276 342 E HA 0.034 4.385 4.350 0.001 0.000 0.193 342 E C -0.246 176.426 176.600 0.120 0.000 0.983 342 E CA 0.042 56.355 56.400 -0.145 0.000 0.861 342 E CB -0.727 28.885 29.700 -0.147 0.000 0.817 342 E HN 0.041 nan 8.360 nan 0.000 0.485 343 Y N 0.868 121.213 120.300 0.075 0.000 3.054 343 Y HA -0.263 4.287 4.550 0.001 0.000 0.210 343 Y C 0.067 176.094 175.900 0.211 0.000 1.212 343 Y CA 0.579 58.759 58.100 0.134 0.000 1.118 343 Y CB -2.297 36.234 38.460 0.118 0.000 1.292 343 Y HN -0.039 nan 8.280 nan 0.000 0.533 344 S N 1.428 117.310 115.700 0.303 0.000 2.430 344 S HA 0.613 5.084 4.470 0.001 0.000 0.289 344 S C 0.334 175.052 174.600 0.197 0.000 1.143 344 S CA -0.829 57.601 58.200 0.383 0.000 1.067 344 S CB 0.337 63.834 63.200 0.495 0.000 0.964 344 S HN 0.299 nan 8.310 nan 0.000 0.485 345 M N 7.016 126.667 119.600 0.084 0.000 3.101 345 M HA 0.271 4.751 4.480 0.001 0.000 0.307 345 M C -2.002 174.172 176.300 -0.210 0.000 1.315 345 M CA -2.203 52.991 55.300 -0.177 0.000 0.734 345 M CB 0.462 32.726 32.600 -0.560 0.000 1.392 345 M HN 0.466 nan 8.290 nan 0.000 0.496 346 P HA -0.209 nan 4.420 nan 0.000 0.216 346 P C 1.349 178.611 177.300 -0.064 0.000 1.153 346 P CA 1.556 64.622 63.100 -0.057 0.000 0.858 346 P CB 0.289 31.797 31.700 -0.320 0.000 0.789 347 K N -0.584 119.759 120.400 -0.096 0.000 2.155 347 K HA -0.054 4.267 4.320 0.001 0.000 0.203 347 K C 1.911 178.458 176.600 -0.089 0.000 1.052 347 K CA 1.443 57.683 56.287 -0.079 0.000 0.948 347 K CB -0.284 32.178 32.500 -0.064 0.000 0.728 347 K HN 0.044 nan 8.250 nan 0.000 0.448 348 T N 1.999 116.475 114.554 -0.130 0.000 2.812 348 T HA -0.091 4.260 4.350 0.001 0.000 0.264 348 T C 1.711 176.339 174.700 -0.120 0.000 1.042 348 T CA 0.706 62.728 62.100 -0.129 0.000 1.140 348 T CB -0.078 68.680 68.868 -0.183 0.000 0.870 348 T HN 0.164 nan 8.240 nan 0.000 0.445 349 L N 1.243 122.369 121.223 -0.162 0.000 2.042 349 L HA -0.129 4.212 4.340 0.001 0.000 0.210 349 L C 2.516 179.349 176.870 -0.062 0.000 1.076 349 L CA 1.458 56.276 54.840 -0.037 0.000 0.749 349 L CB -0.459 41.663 42.059 0.105 0.000 0.893 349 L HN 0.185 nan 8.230 nan 0.000 0.432 350 V N -0.412 119.539 119.914 0.062 0.000 2.295 350 V HA -0.326 3.794 4.120 0.001 0.000 0.246 350 V C 2.383 178.399 176.094 -0.129 0.000 1.049 350 V CA 1.776 64.124 62.300 0.079 0.000 1.024 350 V CB -0.680 31.233 31.823 0.151 0.000 0.648 350 V HN 0.525 nan 8.190 nan 0.000 0.447 351 Q N -0.004 119.668 119.800 -0.213 0.000 2.234 351 Q HA -0.224 4.117 4.340 0.001 0.000 0.206 351 Q C 2.073 177.996 176.000 -0.129 0.000 0.980 351 Q CA 1.813 57.431 55.803 -0.308 0.000 0.869 351 Q CB -0.335 28.286 28.738 -0.195 0.000 0.912 351 Q HN 0.753 nan 8.270 nan 0.000 0.436 352 N N -0.115 118.511 118.700 -0.124 0.000 2.171 352 N HA -0.102 4.639 4.740 0.001 0.000 0.184 352 N C 1.613 177.000 175.510 -0.206 0.000 1.021 352 N CA 0.436 53.421 53.050 -0.107 0.000 0.854 352 N CB 0.137 38.592 38.487 -0.054 0.000 0.994 352 N HN 0.094 nan 8.380 nan 0.000 0.426 353 I N 1.903 122.246 120.570 -0.377 0.000 2.099 353 I HA -0.215 3.956 4.170 0.001 0.000 0.239 353 I C 2.590 178.522 176.117 -0.308 0.000 1.066 353 I CA 1.008 62.003 61.300 -0.507 0.000 1.324 353 I CB -1.630 35.823 38.000 -0.913 0.000 1.037 353 I HN 0.082 nan 8.210 nan 0.000 0.401 354 A N 0.339 123.018 122.820 -0.235 0.000 1.892 354 A HA -0.262 4.059 4.320 0.001 0.000 0.218 354 A C 2.418 179.961 177.584 -0.068 0.000 1.188 354 A CA 2.857 54.789 52.037 -0.175 0.000 0.631 354 A CB -1.271 17.690 19.000 -0.065 0.000 0.822 354 A HN 0.494 nan 8.150 nan 0.000 0.447 355 T N 0.584 115.137 114.554 -0.002 0.000 2.674 355 T HA -0.123 4.227 4.350 0.001 0.000 0.265 355 T C 1.848 176.539 174.700 -0.015 0.000 1.039 355 T CA 1.521 63.643 62.100 0.037 0.000 1.150 355 T CB -0.493 68.416 68.868 0.067 0.000 0.864 355 T HN 0.375 nan 8.240 nan 0.000 0.427 356 L N 0.894 122.086 121.223 -0.051 0.000 2.012 356 L HA -0.157 4.184 4.340 0.001 0.000 0.210 356 L C 3.141 179.972 176.870 -0.065 0.000 1.073 356 L CA 1.422 56.232 54.840 -0.051 0.000 0.748 356 L CB -0.835 41.184 42.059 -0.067 0.000 0.891 356 L HN 0.274 nan 8.230 nan 0.000 0.431 357 A N 0.213 122.966 122.820 -0.112 0.000 1.883 357 A HA -0.226 4.094 4.320 0.001 0.000 0.217 357 A C 2.069 179.605 177.584 -0.079 0.000 1.186 357 A CA 2.024 53.990 52.037 -0.119 0.000 0.624 357 A CB -0.641 18.248 19.000 -0.185 0.000 0.822 357 A HN 0.478 nan 8.150 nan 0.000 0.444 358 N N -0.633 118.024 118.700 -0.072 0.000 2.309 358 N HA -0.134 4.607 4.740 0.001 0.000 0.182 358 N C 1.699 177.197 175.510 -0.019 0.000 1.018 358 N CA 1.341 54.366 53.050 -0.043 0.000 0.876 358 N CB -0.208 38.263 38.487 -0.027 0.000 0.972 358 N HN 0.747 nan 8.380 nan 0.000 0.434 359 E N 1.068 121.258 120.200 -0.016 0.000 2.072 359 E HA -0.051 4.299 4.350 0.001 0.000 0.191 359 E C 1.102 177.698 176.600 -0.007 0.000 0.985 359 E CA 0.958 57.355 56.400 -0.004 0.000 0.801 359 E CB 0.230 29.929 29.700 -0.002 0.000 0.750 359 E HN 0.249 nan 8.360 nan 0.000 0.452 360 K N -1.112 119.279 120.400 -0.015 0.000 2.444 360 K HA 0.125 4.446 4.320 0.001 0.000 0.193 360 K C 0.801 177.399 176.600 -0.004 0.000 1.024 360 K CA 0.486 56.768 56.287 -0.008 0.000 1.077 360 K CB 0.796 33.291 32.500 -0.009 0.000 0.833 360 K HN 0.251 nan 8.250 nan 0.000 0.517 361 G N 2.128 110.922 108.800 -0.010 0.000 2.147 361 G HA2 -0.254 3.707 3.960 0.001 0.000 0.244 361 G HA3 -0.254 3.707 3.960 0.001 0.000 0.244 361 G C 0.018 174.916 174.900 -0.003 0.000 1.005 361 G CA -0.247 44.850 45.100 -0.006 0.000 0.713 361 G HN 0.241 nan 8.290 nan 0.000 0.515 362 I N 0.938 121.501 120.570 -0.012 0.000 2.371 362 I HA 0.265 4.436 4.170 0.001 0.000 0.290 362 I C 1.158 177.258 176.117 -0.028 0.000 1.028 362 I CA -0.944 60.353 61.300 -0.005 0.000 1.345 362 I CB 1.461 39.455 38.000 -0.010 0.000 1.407 362 I HN -0.125 nan 8.210 nan 0.000 0.501 363 V N 7.340 127.250 119.914 -0.006 0.000 2.540 363 V HA -0.038 4.083 4.120 0.001 0.000 0.297 363 V C 0.063 176.141 176.094 -0.027 0.000 1.024 363 V CA 0.161 62.454 62.300 -0.011 0.000 1.105 363 V CB 0.917 32.748 31.823 0.013 0.000 0.938 363 V HN 0.377 nan 8.190 nan 0.000 0.482 364 L N 7.205 128.387 121.223 -0.069 0.000 2.341 364 L HA 0.642 4.983 4.340 0.001 0.000 0.278 364 L C -0.259 176.638 176.870 0.045 0.000 1.005 364 L CA 0.105 54.872 54.840 -0.121 0.000 0.818 364 L CB 1.674 43.492 42.059 -0.402 0.000 1.259 364 L HN 0.636 nan 8.230 nan 0.000 0.418 365 N N 2.975 121.816 118.700 0.234 0.000 2.328 365 N HA 0.799 5.540 4.740 0.001 0.000 0.299 365 N C -0.835 175.054 175.510 0.632 0.000 1.179 365 N CA -0.513 52.807 53.050 0.450 0.000 0.793 365 N CB 2.248 40.934 38.487 0.332 0.000 1.366 365 N HN 0.786 nan 8.380 nan 0.000 0.493 366 G N -0.337 108.804 108.800 0.568 0.000 2.619 366 G HA2 0.613 4.574 3.960 0.001 0.000 0.296 366 G HA3 0.613 4.574 3.960 0.001 0.000 0.296 366 G C -1.215 173.815 174.900 0.216 0.000 1.334 366 G CA -0.373 44.958 45.100 0.384 0.000 0.934 366 G HN 0.453 nan 8.290 nan 0.000 0.476 367 E N -0.221 120.069 120.200 0.150 0.000 2.416 367 E HA 0.259 4.610 4.350 0.001 0.000 0.273 367 E C -0.726 176.002 176.600 0.214 0.000 0.935 367 E CA -1.045 55.356 56.400 0.001 0.000 0.784 367 E CB 2.122 31.792 29.700 -0.051 0.000 1.301 367 E HN 0.640 nan 8.360 nan 0.000 0.454 368 N N 0.318 119.162 118.700 0.239 0.000 2.530 368 N HA 0.189 4.930 4.740 0.001 0.000 0.277 368 N C 0.053 175.607 175.510 0.073 0.000 1.168 368 N CA -0.122 53.053 53.050 0.207 0.000 0.979 368 N CB 1.549 40.192 38.487 0.260 0.000 1.141 368 N HN 0.500 nan 8.380 nan 0.000 0.459 369 A N 1.463 124.300 122.820 0.029 0.000 1.975 369 A HA 0.198 4.519 4.320 0.001 0.000 0.215 369 A C 0.816 178.412 177.584 0.020 0.000 1.170 369 A CA 0.575 52.621 52.037 0.017 0.000 0.656 369 A CB -0.173 18.841 19.000 0.024 0.000 0.821 369 A HN 0.660 nan 8.150 nan 0.000 0.449 370 L N -1.772 119.461 121.223 0.017 0.000 2.309 370 L HA 0.461 4.802 4.340 0.001 0.000 0.261 370 L C -0.117 176.771 176.870 0.031 0.000 1.021 370 L CA -0.936 53.910 54.840 0.010 0.000 0.823 370 L CB 1.811 43.857 42.059 -0.021 0.000 1.366 370 L HN -0.121 nan 8.230 nan 0.000 0.423 371 S N 1.269 116.986 115.700 0.028 0.000 2.552 371 S HA 0.323 4.794 4.470 0.001 0.000 0.289 371 S C -0.078 174.538 174.600 0.027 0.000 1.304 371 S CA -0.162 58.064 58.200 0.043 0.000 1.063 371 S CB -0.074 63.148 63.200 0.037 0.000 0.848 371 S HN 0.279 nan 8.310 nan 0.000 0.499 372 I N 2.205 122.803 120.570 0.046 0.000 2.353 372 I HA 0.367 4.537 4.170 0.001 0.000 0.293 372 I C 1.241 177.317 176.117 -0.067 0.000 0.992 372 I CA -0.260 61.022 61.300 -0.029 0.000 1.268 372 I CB 1.416 39.397 38.000 -0.032 0.000 1.387 372 I HN 0.841 nan 8.210 nan 0.000 0.478 373 G N 4.603 113.338 108.800 -0.108 0.000 3.104 373 G HA2 0.102 4.063 3.960 0.001 0.000 0.237 373 G HA3 0.102 4.063 3.960 0.001 0.000 0.237 373 G C -0.036 174.800 174.900 -0.105 0.000 1.035 373 G CA -0.027 45.029 45.100 -0.073 0.000 0.844 373 G HN 0.711 nan 8.290 nan 0.000 0.531 374 N N -1.252 117.331 118.700 -0.194 0.000 2.823 374 N HA 0.160 4.901 4.740 0.001 0.000 0.251 374 N C 0.719 176.054 175.510 -0.292 0.000 1.392 374 N CA -0.214 52.732 53.050 -0.173 0.000 0.864 374 N CB 0.726 39.157 38.487 -0.093 0.000 1.481 374 N HN -0.041 nan 8.380 nan 0.000 0.508 375 E N -0.298 119.798 120.200 -0.173 0.000 2.478 375 E HA -0.105 4.246 4.350 0.001 0.000 0.198 375 E C 0.360 176.917 176.600 -0.073 0.000 1.046 375 E CA 0.630 56.959 56.400 -0.120 0.000 0.870 375 E CB 0.035 29.764 29.700 0.048 0.000 0.818 375 E HN 0.514 nan 8.360 nan 0.000 0.527 376 E N 1.861 122.011 120.200 -0.083 0.000 2.072 376 E HA -0.176 4.174 4.350 0.001 0.000 0.191 376 E C 1.851 178.414 176.600 -0.061 0.000 0.985 376 E CA 1.376 57.746 56.400 -0.049 0.000 0.801 376 E CB -0.077 29.597 29.700 -0.043 0.000 0.750 376 E HN 0.598 nan 8.360 nan 0.000 0.452 377 E N -0.383 119.747 120.200 -0.117 0.000 2.150 377 E HA -0.181 4.170 4.350 0.001 0.000 0.193 377 E C 1.829 178.414 176.600 -0.026 0.000 0.985 377 E CA 0.733 57.073 56.400 -0.099 0.000 0.814 377 E CB -0.383 29.242 29.700 -0.125 0.000 0.752 377 E HN 0.313 nan 8.360 nan 0.000 0.466 378 Y N 1.765 122.039 120.300 -0.042 0.000 2.274 378 Y HA -0.070 4.481 4.550 0.001 0.000 0.290 378 Y C 2.113 177.922 175.900 -0.152 0.000 1.145 378 Y CA 0.458 58.502 58.100 -0.092 0.000 1.203 378 Y CB -0.310 38.124 38.460 -0.043 0.000 0.984 378 Y HN -0.033 nan 8.280 nan 0.000 0.533 379 K N -0.286 120.145 120.400 0.052 0.000 2.155 379 K HA -0.085 4.236 4.320 0.001 0.000 0.203 379 K C 2.187 178.755 176.600 -0.053 0.000 1.052 379 K CA 0.682 56.966 56.287 -0.004 0.000 0.948 379 K CB -0.023 32.485 32.500 0.013 0.000 0.728 379 K HN 0.257 nan 8.250 nan 0.000 0.448 380 R N 0.582 121.046 120.500 -0.061 0.000 2.066 380 R HA -0.085 4.256 4.340 0.001 0.000 0.232 380 R C 2.349 178.540 176.300 -0.181 0.000 1.131 380 R CA 1.205 57.252 56.100 -0.088 0.000 0.955 380 R CB -0.746 29.510 30.300 -0.073 0.000 0.851 380 R HN 0.006 nan 8.270 nan 0.000 0.432 381 V N 1.640 121.404 119.914 -0.250 0.000 2.252 381 V HA -0.305 3.816 4.120 0.001 0.000 0.249 381 V C 2.646 178.379 176.094 -0.603 0.000 1.056 381 V CA 2.090 64.102 62.300 -0.481 0.000 1.022 381 V CB -1.007 30.401 31.823 -0.692 0.000 0.641 381 V HN 0.407 nan 8.190 nan 0.000 0.445 382 A N -0.111 122.389 122.820 -0.532 0.000 1.884 382 A HA -0.366 3.955 4.320 0.001 0.000 0.219 382 A C 2.293 179.615 177.584 -0.437 0.000 1.197 382 A CA 2.558 54.225 52.037 -0.616 0.000 0.637 382 A CB -0.754 18.120 19.000 -0.210 0.000 0.827 382 A HN 0.706 nan 8.150 nan 0.000 0.450 383 E N -1.090 118.985 120.200 -0.208 0.000 2.049 383 E HA -0.250 4.101 4.350 0.001 0.000 0.198 383 E C 2.072 178.587 176.600 -0.142 0.000 1.007 383 E CA 1.924 58.249 56.400 -0.124 0.000 0.809 383 E CB -0.223 29.463 29.700 -0.023 0.000 0.749 383 E HN 0.487 nan 8.360 nan 0.000 0.450 384 M N 0.542 120.036 119.600 -0.176 0.000 2.086 384 M HA -0.074 4.407 4.480 0.001 0.000 0.261 384 M C 2.537 178.715 176.300 -0.203 0.000 1.067 384 M CA 1.637 56.863 55.300 -0.123 0.000 1.116 384 M CB -1.384 31.061 32.600 -0.258 0.000 1.348 384 M HN 0.308 nan 8.290 nan 0.000 0.407 385 A N -0.001 122.464 122.820 -0.591 0.000 1.908 385 A HA -0.146 4.174 4.320 0.001 0.000 0.218 385 A C 1.782 179.219 177.584 -0.245 0.000 1.181 385 A CA 1.582 53.254 52.037 -0.609 0.000 0.627 385 A CB -0.868 17.491 19.000 -1.069 0.000 0.818 385 A HN 0.418 nan 8.150 nan 0.000 0.445 386 F N -0.257 119.601 119.950 -0.153 0.000 2.743 386 F HA 0.139 4.667 4.527 0.001 0.000 0.297 386 F C 1.855 177.548 175.800 -0.179 0.000 1.131 386 F CA 0.148 58.036 58.000 -0.187 0.000 1.426 386 F CB -0.278 38.547 39.000 -0.291 0.000 1.116 386 F HN 0.214 nan 8.300 nan 0.000 0.583 387 N N -1.486 117.168 118.700 -0.076 0.000 2.282 387 N HA -0.007 4.734 4.740 0.001 0.000 0.185 387 N C 0.265 175.543 175.510 -0.387 0.000 1.099 387 N CA 0.534 53.350 53.050 -0.390 0.000 0.878 387 N CB 0.216 38.046 38.487 -1.095 0.000 0.993 387 N HN 0.289 nan 8.380 nan 0.000 0.481 388 Y N 0.263 120.592 120.300 0.048 0.000 2.706 388 Y HA 0.223 4.773 4.550 0.001 0.000 0.255 388 Y C 0.353 176.293 175.900 0.066 0.000 1.163 388 Y CA -0.452 57.713 58.100 0.108 0.000 1.174 388 Y CB 0.202 38.794 38.460 0.219 0.000 1.200 388 Y HN -0.113 nan 8.280 nan 0.000 0.544 389 N N -0.339 118.479 118.700 0.197 0.000 2.829 389 N HA -0.234 4.507 4.740 0.001 0.000 0.250 389 N C -0.776 174.794 175.510 0.099 0.000 1.090 389 N CA 0.193 53.309 53.050 0.110 0.000 0.781 389 N CB -1.859 36.639 38.487 0.019 0.000 1.124 389 N HN 0.214 nan 8.380 nan 0.000 0.559 390 F N 0.217 120.249 119.950 0.136 0.000 2.608 390 F HA 0.186 4.714 4.527 0.001 0.000 0.380 390 F C 1.858 177.787 175.800 0.216 0.000 1.083 390 F CA 0.820 58.918 58.000 0.163 0.000 1.266 390 F CB 0.476 39.574 39.000 0.163 0.000 1.076 390 F HN 0.217 nan 8.300 nan 0.000 0.574 391 A N 3.006 125.996 122.820 0.284 0.000 2.132 391 A HA 0.456 4.777 4.320 0.001 0.000 0.213 391 A C 1.046 178.699 177.584 0.116 0.000 1.154 391 A CA 0.933 53.089 52.037 0.199 0.000 0.753 391 A CB -0.464 18.596 19.000 0.100 0.000 0.826 391 A HN 0.841 nan 8.150 nan 0.000 0.469 392 G N -1.801 107.111 108.800 0.186 0.000 2.718 392 G HA2 0.485 4.446 3.960 0.001 0.000 0.295 392 G HA3 0.485 4.446 3.960 0.001 0.000 0.295 392 G C -1.717 173.314 174.900 0.218 0.000 1.421 392 G CA -0.456 44.644 45.100 -0.001 0.000 0.902 392 G HN 0.314 nan 8.290 nan 0.000 0.501 393 F N 1.543 121.428 119.950 -0.109 0.000 2.562 393 F HA 0.671 5.199 4.527 0.001 0.000 0.319 393 F C -0.334 175.547 175.800 0.135 0.000 1.154 393 F CA -0.615 57.421 58.000 0.061 0.000 0.931 393 F CB 2.231 41.289 39.000 0.096 0.000 1.198 393 F HN 0.411 nan 8.300 nan 0.000 0.444 394 T N 7.171 121.277 114.554 -0.746 0.000 2.794 394 T HA 0.482 4.833 4.350 0.001 0.000 0.280 394 T C -1.048 173.160 174.700 -0.820 0.000 0.987 394 T CA -0.416 61.422 62.100 -0.436 0.000 0.993 394 T CB 1.315 70.143 68.868 -0.067 0.000 0.939 394 T HN 0.571 nan 8.240 nan 0.000 0.449 395 L N 4.695 125.727 121.223 -0.319 0.000 2.257 395 L HA 0.535 4.876 4.340 0.001 0.000 0.290 395 L C -1.315 175.521 176.870 -0.057 0.000 1.044 395 L CA -0.581 54.200 54.840 -0.099 0.000 0.810 395 L CB 0.282 42.417 42.059 0.127 0.000 1.193 395 L HN 0.432 nan 8.230 nan 0.000 0.425 396 L N 6.595 127.815 121.223 -0.006 0.000 2.260 396 L HA 0.625 4.966 4.340 0.001 0.000 0.289 396 L C 0.117 177.016 176.870 0.049 0.000 1.057 396 L CA 0.376 55.220 54.840 0.008 0.000 0.811 396 L CB 0.832 42.900 42.059 0.014 0.000 1.184 396 L HN 0.701 nan 8.230 nan 0.000 0.429 397 R N 0.836 121.358 120.500 0.036 0.000 2.728 397 R HA 0.152 4.493 4.340 0.001 0.000 0.274 397 R C 0.293 176.613 176.300 0.033 0.000 1.030 397 R CA -0.741 55.377 56.100 0.030 0.000 0.876 397 R CB 0.785 31.124 30.300 0.065 0.000 1.259 397 R HN 0.387 nan 8.270 nan 0.000 0.468 398 Y N 1.793 122.027 120.300 -0.110 0.000 1.931 398 Y HA -0.480 4.071 4.550 0.001 0.000 0.240 398 Y C 2.216 178.017 175.900 -0.164 0.000 1.189 398 Y CA 2.958 60.972 58.100 -0.144 0.000 1.059 398 Y CB 0.001 38.429 38.460 -0.054 0.000 0.880 398 Y HN 0.616 nan 8.280 nan 0.000 0.507 399 Q N -0.514 119.403 119.800 0.195 0.000 2.308 399 Q HA -0.211 4.130 4.340 0.001 0.000 0.209 399 Q C 1.478 177.486 176.000 0.012 0.000 0.985 399 Q CA 1.810 57.673 55.803 0.100 0.000 0.881 399 Q CB -0.679 28.239 28.738 0.299 0.000 0.917 399 Q HN 0.590 nan 8.270 nan 0.000 0.443 400 D N 1.220 121.632 120.400 0.020 0.000 2.144 400 D HA -0.093 4.548 4.640 0.001 0.000 0.200 400 D C 2.138 178.447 176.300 0.016 0.000 0.978 400 D CA 1.852 55.878 54.000 0.043 0.000 0.833 400 D CB 0.142 40.980 40.800 0.064 0.000 0.961 400 D HN 0.400 nan 8.370 nan 0.000 0.470 401 V N -2.466 117.404 119.914 -0.074 0.000 3.263 401 V HA 0.119 4.240 4.120 0.001 0.000 0.248 401 V C 2.102 178.124 176.094 -0.119 0.000 1.145 401 V CA 0.121 62.392 62.300 -0.048 0.000 1.107 401 V CB -0.153 31.636 31.823 -0.058 0.000 0.797 401 V HN -0.111 nan 8.190 nan 0.000 0.467 402 M N 1.160 120.530 119.600 -0.383 0.000 2.159 402 M HA 0.000 4.481 4.480 0.001 0.000 0.263 402 M C 1.400 177.454 176.300 -0.410 0.000 1.063 402 M CA 1.785 56.770 55.300 -0.525 0.000 1.110 402 M CB -0.780 31.170 32.600 -1.084 0.000 1.374 402 M HN 0.577 nan 8.290 nan 0.000 0.411 403 Y N -1.521 118.809 120.300 0.050 0.000 2.708 403 Y HA 0.425 4.976 4.550 0.001 0.000 0.287 403 Y C 0.264 176.203 175.900 0.065 0.000 1.145 403 Y CA -1.111 57.021 58.100 0.053 0.000 1.249 403 Y CB -0.551 37.939 38.460 0.050 0.000 1.152 403 Y HN 0.136 nan 8.280 nan 0.000 0.532 404 N N 0.733 119.528 118.700 0.157 0.000 2.653 404 N HA 0.090 4.831 4.740 0.001 0.000 0.261 404 N C -0.345 175.269 175.510 0.173 0.000 1.216 404 N CA 0.017 53.156 53.050 0.148 0.000 0.784 404 N CB 0.261 38.826 38.487 0.129 0.000 1.327 404 N HN 0.050 nan 8.380 nan 0.000 0.539 405 N N 0.067 118.878 118.700 0.184 0.000 2.381 405 N HA -0.129 4.612 4.740 0.001 0.000 0.182 405 N C 1.598 177.233 175.510 0.208 0.000 1.025 405 N CA 1.481 54.681 53.050 0.249 0.000 0.888 405 N CB 0.204 38.829 38.487 0.229 0.000 0.965 405 N HN 0.636 nan 8.380 nan 0.000 0.438 406 S N 0.199 115.993 115.700 0.157 0.000 2.371 406 S HA 0.017 4.488 4.470 0.001 0.000 0.224 406 S C 1.948 176.649 174.600 0.167 0.000 1.029 406 S CA 0.419 58.704 58.200 0.141 0.000 0.978 406 S CB -0.627 62.636 63.200 0.105 0.000 0.833 406 S HN 0.191 nan 8.310 nan 0.000 0.466 407 L N 0.138 121.469 121.223 0.181 0.000 2.042 407 L HA -0.103 4.238 4.340 0.001 0.000 0.210 407 L C 2.853 179.908 176.870 0.309 0.000 1.076 407 L CA 1.763 56.757 54.840 0.258 0.000 0.749 407 L CB -0.497 41.704 42.059 0.236 0.000 0.893 407 L HN 0.354 nan 8.230 nan 0.000 0.432 408 M N 0.170 119.907 119.600 0.227 0.000 2.082 408 M HA -0.154 4.327 4.480 0.001 0.000 0.258 408 M C 1.996 178.383 176.300 0.145 0.000 1.069 408 M CA 2.202 57.602 55.300 0.167 0.000 1.102 408 M CB -1.027 31.666 32.600 0.156 0.000 1.336 408 M HN 0.152 nan 8.290 nan 0.000 0.404 409 G N -0.410 108.483 108.800 0.154 0.000 2.422 409 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 409 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 409 G C 1.571 176.538 174.900 0.112 0.000 1.140 409 G CA 0.665 45.830 45.100 0.109 0.000 0.775 409 G HN 0.342 nan 8.290 nan 0.000 0.545 410 K N 0.264 120.772 120.400 0.180 0.000 2.097 410 K HA -0.009 4.312 4.320 0.001 0.000 0.206 410 K C 1.964 178.621 176.600 0.096 0.000 1.049 410 K CA 0.497 56.898 56.287 0.191 0.000 0.933 410 K CB -0.808 31.903 32.500 0.352 0.000 0.717 410 K HN 0.416 nan 8.250 nan 0.000 0.442 411 F N 2.577 122.468 119.950 -0.099 0.000 2.075 411 F HA -0.208 4.320 4.527 0.001 0.000 0.297 411 F C 2.408 178.023 175.800 -0.309 0.000 1.113 411 F CA 1.850 59.572 58.000 -0.464 0.000 1.218 411 F CB -0.181 38.540 39.000 -0.464 0.000 0.984 411 F HN -0.025 nan 8.300 nan 0.000 0.472 412 K N 0.182 120.599 120.400 0.028 0.000 2.044 412 K HA -0.297 4.023 4.320 0.001 0.000 0.210 412 K C 1.975 178.458 176.600 -0.195 0.000 1.049 412 K CA 2.230 58.454 56.287 -0.104 0.000 0.927 412 K CB -0.712 31.736 32.500 -0.087 0.000 0.713 412 K HN 0.394 nan 8.250 nan 0.000 0.443 413 D N 0.357 120.679 120.400 -0.130 0.000 2.097 413 D HA -0.159 4.481 4.640 0.001 0.000 0.195 413 D C 2.049 178.246 176.300 -0.173 0.000 0.989 413 D CA 1.434 55.363 54.000 -0.119 0.000 0.827 413 D CB -0.013 40.756 40.800 -0.052 0.000 0.966 413 D HN 0.321 nan 8.370 nan 0.000 0.456 414 L N -0.882 120.210 121.223 -0.220 0.000 2.127 414 L HA 0.065 4.406 4.340 0.001 0.000 0.203 414 L C 2.083 178.767 176.870 -0.309 0.000 1.080 414 L CA 0.625 55.332 54.840 -0.223 0.000 0.768 414 L CB -0.001 41.955 42.059 -0.173 0.000 0.924 414 L HN 0.112 nan 8.230 nan 0.000 0.444 415 L N -1.728 119.109 121.223 -0.642 0.000 2.878 415 L HA 0.259 4.600 4.340 0.001 0.000 0.253 415 L C 1.463 178.020 176.870 -0.521 0.000 1.135 415 L CA -0.031 54.423 54.840 -0.643 0.000 0.943 415 L CB 0.316 41.642 42.059 -1.222 0.000 1.307 415 L HN 0.119 nan 8.230 nan 0.000 0.545 416 G N 1.529 109.967 108.800 -0.602 0.000 3.709 416 G HA2 0.347 4.308 3.960 0.001 0.000 0.272 416 G HA3 0.347 4.308 3.960 0.001 0.000 0.272 416 G C 0.191 175.005 174.900 -0.143 0.000 1.259 416 G CA 0.005 44.930 45.100 -0.292 0.000 1.512 416 G HN 0.033 nan 8.290 nan 0.000 0.625 417 V N -2.620 117.252 119.914 -0.070 0.000 2.837 417 V HA 0.778 4.899 4.120 0.001 0.000 0.310 417 V C -0.053 176.035 176.094 -0.009 0.000 1.059 417 V CA -0.715 61.528 62.300 -0.095 0.000 1.004 417 V CB 1.761 33.447 31.823 -0.228 0.000 1.045 417 V HN -0.019 nan 8.190 nan 0.000 0.465 418 T N 5.073 119.590 114.554 -0.061 0.000 2.756 418 T HA 0.510 4.861 4.350 0.001 0.000 0.290 418 T C -2.717 171.934 174.700 -0.083 0.000 0.985 418 T CA -0.939 61.138 62.100 -0.039 0.000 0.955 418 T CB 1.342 70.181 68.868 -0.048 0.000 0.930 418 T HN 0.749 nan 8.240 nan 0.000 0.451 419 P HA 0.318 nan 4.420 nan 0.000 0.276 419 P C -0.766 176.482 177.300 -0.086 0.000 1.235 419 P CA -0.349 62.692 63.100 -0.097 0.000 0.772 419 P CB 0.814 32.484 31.700 -0.050 0.000 0.871 420 V N 4.917 124.767 119.914 -0.107 0.000 2.823 420 V HA 0.542 4.663 4.120 0.001 0.000 0.312 420 V C -0.625 175.421 176.094 -0.080 0.000 1.072 420 V CA -1.178 61.067 62.300 -0.092 0.000 0.937 420 V CB 2.236 33.989 31.823 -0.117 0.000 1.013 420 V HN 0.422 nan 8.190 nan 0.000 0.430 421 M N 5.261 124.829 119.600 -0.053 0.000 2.188 421 M HA 0.538 5.019 4.480 0.001 0.000 0.357 421 M C -1.032 175.265 176.300 -0.006 0.000 1.204 421 M CA -0.015 55.266 55.300 -0.032 0.000 1.095 421 M CB 1.236 33.822 32.600 -0.023 0.000 1.604 421 M HN 0.770 nan 8.290 nan 0.000 0.464 422 Q N 2.579 122.396 119.800 0.029 0.000 2.456 422 Q HA 0.479 4.820 4.340 0.001 0.000 0.283 422 Q C -1.100 174.963 176.000 0.105 0.000 1.084 422 Q CA -0.602 55.274 55.803 0.121 0.000 0.801 422 Q CB 2.060 30.968 28.738 0.284 0.000 1.434 422 Q HN 0.607 nan 8.270 nan 0.000 0.419 423 T N 2.117 116.747 114.554 0.127 0.000 2.749 423 T HA 0.459 4.810 4.350 0.001 0.000 0.287 423 T C 0.164 174.907 174.700 0.071 0.000 0.970 423 T CA -0.459 61.686 62.100 0.075 0.000 0.980 423 T CB 0.276 69.180 68.868 0.059 0.000 0.924 423 T HN 0.242 nan 8.240 nan 0.000 0.456 424 I N 4.252 124.842 120.570 0.034 0.000 2.331 424 I HA 0.385 4.556 4.170 0.001 0.000 0.292 424 I C 0.029 176.198 176.117 0.086 0.000 0.998 424 I CA -0.857 60.459 61.300 0.027 0.000 1.267 424 I CB 1.029 38.996 38.000 -0.055 0.000 1.386 424 I HN 0.275 nan 8.210 nan 0.000 0.476 425 V N 6.985 126.969 119.914 0.117 0.000 2.448 425 V HA 0.477 4.598 4.120 0.001 0.000 0.295 425 V C -0.002 176.202 176.094 0.183 0.000 1.025 425 V CA -0.714 61.663 62.300 0.128 0.000 0.859 425 V CB 2.223 34.096 31.823 0.083 0.000 0.988 425 V HN 0.456 nan 8.190 nan 0.000 0.431 426 V N 5.265 125.317 119.914 0.229 0.000 2.444 426 V HA 0.522 4.643 4.120 0.001 0.000 0.294 426 V C -0.027 176.232 176.094 0.275 0.000 1.022 426 V CA -0.971 61.491 62.300 0.270 0.000 0.850 426 V CB 1.600 33.615 31.823 0.320 0.000 0.992 426 V HN 0.779 nan 8.190 nan 0.000 0.426 427 K N 2.823 123.363 120.400 0.232 0.000 2.106 427 K HA 0.457 4.777 4.320 0.001 0.000 0.246 427 K C 0.383 177.122 176.600 0.232 0.000 0.987 427 K CA -0.710 55.702 56.287 0.208 0.000 0.904 427 K CB 0.526 33.113 32.500 0.144 0.000 1.071 427 K HN 0.690 nan 8.250 nan 0.000 0.453 428 N N -0.755 118.056 118.700 0.186 0.000 2.727 428 N HA -0.163 4.578 4.740 0.001 0.000 0.249 428 N C -0.593 174.956 175.510 0.066 0.000 1.048 428 N CA 0.459 53.595 53.050 0.143 0.000 0.714 428 N CB -1.665 36.917 38.487 0.158 0.000 0.959 428 N HN 0.248 nan 8.380 nan 0.000 0.544 429 V N 1.907 121.809 119.914 -0.021 0.000 2.488 429 V HA 0.167 4.288 4.120 0.001 0.000 0.277 429 V C -1.154 174.643 176.094 -0.496 0.000 1.046 429 V CA -0.921 61.080 62.300 -0.498 0.000 0.986 429 V CB 1.146 32.653 31.823 -0.526 0.000 0.989 429 V HN 0.106 nan 8.190 nan 0.000 0.475 430 P HA 0.147 nan 4.420 nan 0.000 0.237 430 P C 0.023 177.112 177.300 -0.353 0.000 1.788 430 P CA -0.110 62.757 63.100 -0.390 0.000 1.061 430 P CB -0.243 31.262 31.700 -0.325 0.000 1.967 431 T N -0.258 114.134 114.554 -0.270 0.000 2.927 431 T HA 0.646 4.997 4.350 0.001 0.000 0.281 431 T C 0.381 175.006 174.700 -0.125 0.000 0.998 431 T CA -0.495 61.470 62.100 -0.226 0.000 1.019 431 T CB 1.374 70.118 68.868 -0.206 0.000 1.061 431 T HN 0.328 nan 8.240 nan 0.000 0.518 432 T N -1.340 113.151 114.554 -0.105 0.000 2.901 432 T HA 0.591 4.942 4.350 0.001 0.000 0.293 432 T C 0.117 174.785 174.700 -0.053 0.000 1.084 432 T CA -1.224 60.834 62.100 -0.070 0.000 1.008 432 T CB 0.736 69.569 68.868 -0.058 0.000 1.170 432 T HN 0.629 nan 8.240 nan 0.000 0.509 433 I N 1.693 122.238 120.570 -0.043 0.000 3.076 433 I HA 0.146 4.317 4.170 0.001 0.000 0.321 433 I C 1.845 177.950 176.117 -0.020 0.000 1.216 433 I CA 2.019 63.301 61.300 -0.029 0.000 1.460 433 I CB -1.135 36.851 38.000 -0.024 0.000 1.313 433 I HN 1.304 nan 8.210 nan 0.000 0.546 434 G N 4.859 113.656 108.800 -0.005 0.000 2.241 434 G HA2 -0.206 3.755 3.960 0.001 0.000 0.244 434 G HA3 -0.206 3.755 3.960 0.001 0.000 0.244 434 G C 0.103 175.000 174.900 -0.005 0.000 0.998 434 G CA -0.087 45.013 45.100 0.000 0.000 0.621 434 G HN 0.595 nan 8.290 nan 0.000 0.519 435 D N 1.772 122.155 120.400 -0.027 0.000 2.345 435 D HA 0.517 5.158 4.640 0.001 0.000 0.247 435 D C 0.876 177.127 176.300 -0.081 0.000 1.108 435 D CA 1.182 55.135 54.000 -0.079 0.000 0.894 435 D CB 1.376 42.082 40.800 -0.157 0.000 1.203 435 D HN 0.529 nan 8.370 nan 0.000 0.430 436 T N -1.913 112.561 114.554 -0.133 0.000 2.856 436 T HA 0.579 4.930 4.350 0.001 0.000 0.283 436 T C -0.266 174.176 174.700 -0.432 0.000 1.008 436 T CA -0.872 61.090 62.100 -0.229 0.000 0.997 436 T CB 1.238 70.051 68.868 -0.092 0.000 0.992 436 T HN 0.007 nan 8.240 nan 0.000 0.454 437 V N 3.381 122.822 119.914 -0.788 0.000 2.472 437 V HA 0.591 4.712 4.120 0.001 0.000 0.290 437 V C -1.054 174.669 176.094 -0.619 0.000 1.037 437 V CA -0.628 61.225 62.300 -0.745 0.000 0.908 437 V CB 0.442 31.597 31.823 -1.112 0.000 0.985 437 V HN 0.916 nan 8.190 nan 0.000 0.454 438 Y N 3.696 123.584 120.300 -0.686 0.000 2.609 438 Y HA 0.758 5.309 4.550 0.002 0.000 0.342 438 Y C 0.006 175.606 175.900 -0.499 0.000 1.058 438 Y CA -1.107 56.609 58.100 -0.640 0.000 1.055 438 Y CB 2.029 39.934 38.460 -0.924 0.000 1.292 438 Y HN 0.652 nan 8.280 nan 0.000 0.476 439 I N -1.151 119.418 120.570 -0.003 0.000 2.785 439 I HA 0.934 5.105 4.170 0.001 0.000 0.302 439 I C -0.810 175.479 176.117 0.287 0.000 1.069 439 I CA -0.625 60.781 61.300 0.175 0.000 1.045 439 I CB 2.543 40.626 38.000 0.137 0.000 1.236 439 I HN 0.561 nan 8.210 nan 0.000 0.429 440 T N 2.177 116.979 114.554 0.415 0.000 2.843 440 T HA 0.885 5.235 4.350 0.001 0.000 0.302 440 T C -0.614 174.083 174.700 -0.005 0.000 1.232 440 T CA -0.067 62.209 62.100 0.292 0.000 1.009 440 T CB 1.825 70.995 68.868 0.504 0.000 1.254 440 T HN 1.303 nan 8.240 nan 0.000 0.504 441 G N 1.354 109.870 108.800 -0.473 0.000 2.554 441 G HA2 0.348 4.309 3.960 0.001 0.000 0.306 441 G HA3 0.348 4.309 3.960 0.001 0.000 0.306 441 G C 0.246 174.341 174.900 -1.342 0.000 1.320 441 G CA 0.036 44.497 45.100 -1.065 0.000 0.800 441 G HN 0.705 nan 8.290 nan 0.000 0.481 442 N N -0.485 117.656 118.700 -0.933 0.000 2.300 442 N HA -0.006 4.735 4.740 0.001 0.000 0.179 442 N C 0.838 176.192 175.510 -0.261 0.000 1.016 442 N CA 0.403 53.120 53.050 -0.555 0.000 0.876 442 N CB 0.025 38.493 38.487 -0.033 0.000 0.979 442 N HN 0.428 nan 8.380 nan 0.000 0.432 443 R N -0.134 120.235 120.500 -0.218 0.000 2.637 443 R HA 0.394 4.735 4.340 0.001 0.000 0.269 443 R C 1.249 177.470 176.300 -0.130 0.000 1.089 443 R CA 0.232 56.247 56.100 -0.142 0.000 1.177 443 R CB 0.439 30.645 30.300 -0.155 0.000 1.091 443 R HN 0.190 nan 8.270 nan 0.000 0.540 444 A N 1.753 124.530 122.820 -0.071 0.000 1.908 444 A HA -0.204 4.117 4.320 0.001 0.000 0.218 444 A C 1.707 179.246 177.584 -0.075 0.000 1.181 444 A CA 1.649 53.671 52.037 -0.025 0.000 0.627 444 A CB -0.369 18.681 19.000 0.082 0.000 0.818 444 A HN 0.785 nan 8.150 nan 0.000 0.445 445 E N -0.414 119.673 120.200 -0.189 0.000 2.267 445 E HA -0.094 4.257 4.350 0.001 0.000 0.197 445 E C 1.174 177.651 176.600 -0.205 0.000 0.998 445 E CA 0.836 57.051 56.400 -0.309 0.000 0.830 445 E CB -0.212 29.193 29.700 -0.492 0.000 0.751 445 E HN 0.636 nan 8.360 nan 0.000 0.491 446 L N -1.248 119.869 121.223 -0.176 0.000 2.857 446 L HA 0.310 4.650 4.340 0.001 0.000 0.249 446 L C 0.839 177.658 176.870 -0.084 0.000 1.172 446 L CA 0.030 54.781 54.840 -0.149 0.000 0.980 446 L CB 0.515 42.453 42.059 -0.201 0.000 1.299 446 L HN 0.256 nan 8.230 nan 0.000 0.535 447 G N -0.340 108.429 108.800 -0.051 0.000 2.160 447 G HA2 -0.304 3.657 3.960 0.001 0.000 0.244 447 G HA3 -0.304 3.657 3.960 0.001 0.000 0.244 447 G C 0.514 175.488 174.900 0.123 0.000 1.022 447 G CA 0.216 45.369 45.100 0.088 0.000 0.741 447 G HN 0.284 nan 8.290 nan 0.000 0.508 448 S N -1.873 113.815 115.700 -0.020 0.000 3.317 448 S HA -0.313 4.158 4.470 0.001 0.000 0.358 448 S C 1.308 175.980 174.600 0.120 0.000 0.945 448 S CA 1.829 60.016 58.200 -0.022 0.000 1.279 448 S CB -1.971 61.294 63.200 0.108 0.000 0.905 448 S HN 1.796 nan 8.310 nan 0.000 0.507 449 W N -2.164 119.220 121.300 0.141 0.000 2.076 449 W HA -0.294 4.367 4.660 0.001 0.000 0.252 449 W C 0.447 177.042 176.519 0.127 0.000 1.003 449 W CA 0.636 58.062 57.345 0.136 0.000 0.468 449 W CB -1.658 27.835 29.460 0.055 0.000 2.014 449 W HN 0.645 nan 8.180 nan 0.000 1.377 450 D N 0.664 121.231 120.400 0.279 0.000 2.488 450 D HA 0.166 4.807 4.640 0.001 0.000 0.238 450 D C 1.353 177.727 176.300 0.124 0.000 1.138 450 D CA 1.715 55.805 54.000 0.151 0.000 0.873 450 D CB 0.986 41.826 40.800 0.067 0.000 1.183 450 D HN 0.112 nan 8.370 nan 0.000 0.458 451 T N 0.368 114.914 114.554 -0.013 0.000 3.044 451 T HA 0.126 4.477 4.350 0.001 0.000 0.260 451 T C 1.314 175.949 174.700 -0.108 0.000 1.019 451 T CA -0.393 61.619 62.100 -0.147 0.000 0.921 451 T CB 0.310 68.825 68.868 -0.589 0.000 1.053 451 T HN 0.190 nan 8.240 nan 0.000 0.533 452 K N 1.596 121.933 120.400 -0.106 0.000 2.065 452 K HA 0.187 4.507 4.320 0.001 0.000 0.211 452 K C 2.085 178.604 176.600 -0.134 0.000 1.025 452 K CA 0.949 57.160 56.287 -0.126 0.000 0.948 452 K CB -0.081 32.341 32.500 -0.130 0.000 0.798 452 K HN 0.312 nan 8.250 nan 0.000 0.450 453 Q N -1.163 118.506 119.800 -0.219 0.000 2.259 453 Q HA 0.002 4.342 4.340 0.001 0.000 0.201 453 Q C 1.424 177.395 176.000 -0.048 0.000 0.938 453 Q CA 0.745 56.418 55.803 -0.217 0.000 0.872 453 Q CB 0.283 28.745 28.738 -0.460 0.000 0.971 453 Q HN 0.284 nan 8.270 nan 0.000 0.494 454 Y N 0.149 120.446 120.300 -0.005 0.000 2.457 454 Y HA 0.208 4.759 4.550 0.002 0.000 0.263 454 Y C -1.814 174.114 175.900 0.047 0.000 1.164 454 Y CA -2.115 55.983 58.100 -0.003 0.000 1.274 454 Y CB -1.111 37.347 38.460 -0.002 0.000 1.097 454 Y HN 0.089 nan 8.280 nan 0.000 0.523 455 P HA 0.023 nan 4.420 nan 0.000 0.271 455 P C -0.083 177.388 177.300 0.286 0.000 1.244 455 P CA 0.440 63.700 63.100 0.267 0.000 0.793 455 P CB 1.499 33.374 31.700 0.292 0.000 0.984 456 I N 0.405 121.132 120.570 0.262 0.000 2.378 456 I HA 0.285 4.456 4.170 0.001 0.000 0.291 456 I C 0.771 176.906 176.117 0.031 0.000 0.992 456 I CA -0.799 60.583 61.300 0.136 0.000 1.154 456 I CB 1.587 39.610 38.000 0.038 0.000 1.315 456 I HN 0.313 nan 8.210 nan 0.000 0.448 457 Q N 5.623 125.334 119.800 -0.149 0.000 2.259 457 Q HA 0.550 4.890 4.340 0.001 0.000 0.249 457 Q C -1.159 174.578 176.000 -0.438 0.000 0.914 457 Q CA -0.459 54.974 55.803 -0.617 0.000 0.904 457 Q CB 1.371 29.676 28.738 -0.723 0.000 1.213 457 Q HN 0.554 nan 8.270 nan 0.000 0.428 458 L N 2.538 123.501 121.223 -0.434 0.000 2.331 458 L HA 0.535 4.876 4.340 0.001 0.000 0.268 458 L C -1.092 175.669 176.870 -0.182 0.000 1.015 458 L CA -1.051 53.740 54.840 -0.081 0.000 0.807 458 L CB 0.904 43.044 42.059 0.135 0.000 1.293 458 L HN 0.632 nan 8.230 nan 0.000 0.451 459 Y N -1.056 119.326 120.300 0.137 0.000 2.442 459 Y HA 0.314 4.865 4.550 0.001 0.000 0.344 459 Y C -0.405 175.322 175.900 -0.289 0.000 0.976 459 Y CA -0.694 57.398 58.100 -0.014 0.000 1.040 459 Y CB 1.532 39.946 38.460 -0.076 0.000 1.228 459 Y HN 0.267 nan 8.280 nan 0.000 0.451 460 Y N 2.723 122.529 120.300 -0.824 0.000 2.480 460 Y HA 0.238 4.789 4.550 0.001 0.000 0.338 460 Y C -0.161 175.441 175.900 -0.496 0.000 1.220 460 Y CA -0.110 57.285 58.100 -1.175 0.000 1.430 460 Y CB 0.692 38.273 38.460 -1.464 0.000 1.311 460 Y HN 0.597 nan 8.280 nan 0.000 0.575 461 D N 3.132 122.832 120.400 -1.167 0.000 2.446 461 D HA 0.133 4.774 4.640 0.001 0.000 0.251 461 D C 0.287 176.024 176.300 -0.938 0.000 1.137 461 D CA -0.097 53.451 54.000 -0.753 0.000 0.890 461 D CB 0.905 41.447 40.800 -0.431 0.000 1.071 461 D HN 0.642 nan 8.370 nan 0.000 0.528 462 S N 2.353 117.692 115.700 -0.601 0.000 2.474 462 S HA -0.119 4.352 4.470 0.001 0.000 0.235 462 S C 1.387 175.950 174.600 -0.062 0.000 0.997 462 S CA 0.702 58.743 58.200 -0.265 0.000 0.949 462 S CB -0.407 62.808 63.200 0.025 0.000 0.766 462 S HN 0.620 nan 8.310 nan 0.000 0.517 463 H N 0.781 119.713 119.070 -0.229 0.000 2.431 463 H HA 0.196 4.753 4.556 0.001 0.000 0.295 463 H C 1.829 177.076 175.328 -0.134 0.000 1.038 463 H CA 1.058 57.022 56.048 -0.141 0.000 1.360 463 H CB 0.128 29.821 29.762 -0.115 0.000 1.433 463 H HN 0.438 nan 8.280 nan 0.000 0.536 464 S N 0.402 116.075 115.700 -0.045 0.000 2.458 464 S HA -0.083 4.388 4.470 0.001 0.000 0.223 464 S C 0.505 175.049 174.600 -0.093 0.000 1.019 464 S CA 0.270 58.428 58.200 -0.070 0.000 0.937 464 S CB -0.088 63.057 63.200 -0.091 0.000 0.788 464 S HN 0.493 nan 8.310 nan 0.000 0.511 465 N N 2.074 120.650 118.700 -0.207 0.000 2.610 465 N HA -0.161 4.580 4.740 0.001 0.000 0.271 465 N C -1.485 173.996 175.510 -0.048 0.000 1.146 465 N CA 1.069 54.023 53.050 -0.159 0.000 0.711 465 N CB -1.320 37.195 38.487 0.046 0.000 0.883 465 N HN 0.595 nan 8.380 nan 0.000 0.548 466 D N -0.765 119.522 120.400 -0.188 0.000 2.738 466 D HA 0.526 5.167 4.640 0.001 0.000 0.308 466 D C -1.341 174.919 176.300 -0.068 0.000 1.311 466 D CA -0.644 53.386 54.000 0.050 0.000 0.799 466 D CB -0.158 40.680 40.800 0.064 0.000 1.332 466 D HN 0.156 nan 8.370 nan 0.000 0.441 467 W N 0.254 121.596 121.300 0.071 0.000 2.529 467 W HA 0.707 5.368 4.660 0.002 0.000 0.321 467 W C 0.377 176.918 176.519 0.037 0.000 1.047 467 W CA -0.435 56.951 57.345 0.068 0.000 1.216 467 W CB 1.676 31.173 29.460 0.062 0.000 1.357 467 W HN 0.648 nan 8.180 nan 0.000 0.489 468 R N 2.026 122.637 120.500 0.185 0.000 2.733 468 R HA 0.961 5.302 4.340 0.001 0.000 0.272 468 R C -0.750 175.631 176.300 0.134 0.000 1.029 468 R CA -1.245 54.931 56.100 0.128 0.000 0.888 468 R CB 1.568 31.901 30.300 0.055 0.000 1.251 468 R HN 0.626 nan 8.270 nan 0.000 0.464 469 G N 0.022 108.881 108.800 0.098 0.000 2.646 469 G HA2 0.316 4.276 3.960 0.001 0.000 0.291 469 G HA3 0.316 4.276 3.960 0.001 0.000 0.291 469 G C -1.848 173.079 174.900 0.046 0.000 1.445 469 G CA -1.050 44.117 45.100 0.111 0.000 0.814 469 G HN 0.545 nan 8.290 nan 0.000 0.495 470 N N 0.139 118.854 118.700 0.026 0.000 2.501 470 N HA 0.475 5.215 4.740 0.001 0.000 0.245 470 N C -0.704 174.806 175.510 -0.001 0.000 0.974 470 N CA -0.392 52.661 53.050 0.006 0.000 0.941 470 N CB 2.246 40.724 38.487 -0.014 0.000 1.122 470 N HN 0.209 nan 8.380 nan 0.000 0.507 471 V N 2.537 122.444 119.914 -0.012 0.000 2.483 471 V HA 0.302 4.423 4.120 0.001 0.000 0.295 471 V C 0.409 176.472 176.094 -0.052 0.000 1.035 471 V CA -0.863 61.414 62.300 -0.038 0.000 0.896 471 V CB 1.958 33.735 31.823 -0.076 0.000 0.986 471 V HN 0.258 nan 8.190 nan 0.000 0.447 472 V N 6.295 126.169 119.914 -0.067 0.000 2.455 472 V HA 0.365 4.486 4.120 0.001 0.000 0.273 472 V C 0.092 176.104 176.094 -0.136 0.000 1.045 472 V CA -0.006 62.241 62.300 -0.088 0.000 0.976 472 V CB 0.839 32.616 31.823 -0.077 0.000 0.993 472 V HN 0.589 nan 8.190 nan 0.000 0.475 473 L N 6.695 127.831 121.223 -0.145 0.000 2.301 473 L HA 0.597 4.938 4.340 0.001 0.000 0.264 473 L C -2.387 174.347 176.870 -0.226 0.000 1.016 473 L CA -2.124 52.604 54.840 -0.187 0.000 0.821 473 L CB 3.045 45.023 42.059 -0.134 0.000 1.346 473 L HN 0.392 nan 8.230 nan 0.000 0.429 474 P HA 0.152 nan 4.420 nan 0.000 0.280 474 P C -0.741 176.428 177.300 -0.219 0.000 1.300 474 P CA -0.220 62.712 63.100 -0.279 0.000 0.785 474 P CB 1.116 32.616 31.700 -0.333 0.000 0.874 475 A N 4.096 126.802 122.820 -0.191 0.000 2.483 475 A HA 0.078 4.398 4.320 0.001 0.000 0.238 475 A C 0.856 178.338 177.584 -0.170 0.000 1.070 475 A CA -0.016 51.909 52.037 -0.187 0.000 0.770 475 A CB -0.663 18.248 19.000 -0.149 0.000 1.008 475 A HN 0.692 nan 8.150 nan 0.000 0.497 476 E N -0.597 119.494 120.200 -0.180 0.000 2.637 476 E HA -0.177 4.174 4.350 0.001 0.000 0.265 476 E C -0.448 176.083 176.600 -0.115 0.000 1.073 476 E CA 0.667 56.984 56.400 -0.138 0.000 0.778 476 E CB -1.138 28.497 29.700 -0.107 0.000 1.362 476 E HN 0.626 nan 8.360 nan 0.000 0.413 477 R N 0.375 120.800 120.500 -0.124 0.000 2.807 477 R HA 0.416 4.757 4.340 0.001 0.000 0.276 477 R C -0.112 176.157 176.300 -0.051 0.000 0.979 477 R CA -1.126 54.919 56.100 -0.091 0.000 0.928 477 R CB 0.897 31.129 30.300 -0.114 0.000 1.191 477 R HN -0.074 nan 8.270 nan 0.000 0.471 478 N N 1.840 120.531 118.700 -0.014 0.000 2.529 478 N HA 0.383 5.124 4.740 0.001 0.000 0.278 478 N C 0.020 175.562 175.510 0.053 0.000 1.146 478 N CA -0.163 52.911 53.050 0.039 0.000 0.980 478 N CB 0.783 39.300 38.487 0.049 0.000 1.124 478 N HN 0.478 nan 8.380 nan 0.000 0.458 479 I N -2.377 118.265 120.570 0.121 0.000 2.934 479 I HA 0.628 4.799 4.170 0.001 0.000 0.306 479 I C -0.776 175.451 176.117 0.183 0.000 1.110 479 I CA -0.837 60.535 61.300 0.119 0.000 1.019 479 I CB 2.597 40.676 38.000 0.131 0.000 1.227 479 I HN 0.188 nan 8.210 nan 0.000 0.434 480 E N 3.676 123.966 120.200 0.149 0.000 2.266 480 E HA 0.644 4.995 4.350 0.001 0.000 0.268 480 E C -1.554 175.145 176.600 0.165 0.000 0.879 480 E CA -0.467 56.024 56.400 0.152 0.000 0.762 480 E CB 3.075 32.905 29.700 0.216 0.000 1.199 480 E HN 0.661 nan 8.360 nan 0.000 0.422 481 F N -1.213 118.761 119.950 0.041 0.000 2.779 481 F HA 0.693 5.220 4.527 0.001 0.000 0.316 481 F C -1.536 174.396 175.800 0.220 0.000 1.164 481 F CA -1.081 56.922 58.000 0.005 0.000 0.924 481 F CB 1.681 40.628 39.000 -0.088 0.000 1.348 481 F HN 0.157 nan 8.300 nan 0.000 0.467 482 K N 1.044 121.748 120.400 0.507 0.000 2.542 482 K HA 0.739 5.060 4.320 0.001 0.000 0.259 482 K C -1.279 175.665 176.600 0.574 0.000 0.932 482 K CA -0.968 55.583 56.287 0.440 0.000 0.820 482 K CB 2.592 35.429 32.500 0.562 0.000 1.345 482 K HN 1.014 nan 8.250 nan 0.000 0.432 483 A N 2.309 125.373 122.820 0.406 0.000 2.322 483 A HA 0.742 5.062 4.320 0.001 0.000 0.269 483 A C -0.719 177.099 177.584 0.389 0.000 1.094 483 A CA -0.169 52.077 52.037 0.349 0.000 0.807 483 A CB -0.110 19.098 19.000 0.347 0.000 1.047 483 A HN 0.598 nan 8.150 nan 0.000 0.487 484 F N -0.838 119.183 119.950 0.118 0.000 2.619 484 F HA 0.723 5.250 4.527 0.001 0.000 0.308 484 F C -1.039 174.736 175.800 -0.043 0.000 1.097 484 F CA -1.342 56.603 58.000 -0.092 0.000 0.953 484 F CB 1.004 39.473 39.000 -0.884 0.000 1.287 484 F HN 0.369 nan 8.300 nan 0.000 0.446 485 I N 2.999 123.631 120.570 0.104 0.000 2.342 485 I HA 0.316 4.487 4.170 0.001 0.000 0.291 485 I C -0.196 175.907 176.117 -0.024 0.000 1.010 485 I CA -0.506 60.715 61.300 -0.132 0.000 1.308 485 I CB 1.477 39.345 38.000 -0.221 0.000 1.400 485 I HN 0.612 nan 8.210 nan 0.000 0.488 486 K N 4.938 125.307 120.400 -0.052 0.000 2.206 486 K HA 0.403 4.724 4.320 0.001 0.000 0.264 486 K C -0.190 176.399 176.600 -0.019 0.000 0.967 486 K CA -0.493 55.803 56.287 0.014 0.000 0.844 486 K CB 1.476 34.001 32.500 0.041 0.000 1.099 486 K HN 0.755 nan 8.250 nan 0.000 0.441 487 S N 2.253 117.942 115.700 -0.018 0.000 2.655 487 S HA 0.153 4.624 4.470 0.001 0.000 0.265 487 S C 1.140 175.737 174.600 -0.006 0.000 1.240 487 S CA -0.744 57.443 58.200 -0.022 0.000 0.986 487 S CB 1.328 64.515 63.200 -0.021 0.000 0.985 487 S HN 0.569 nan 8.310 nan 0.000 0.562 488 K N 1.621 122.018 120.400 -0.005 0.000 2.020 488 K HA -0.208 4.113 4.320 0.001 0.000 0.212 488 K C 1.292 177.896 176.600 0.007 0.000 1.050 488 K CA 2.460 58.751 56.287 0.006 0.000 0.929 488 K CB -1.409 31.094 32.500 0.004 0.000 0.714 488 K HN 0.920 nan 8.250 nan 0.000 0.443 489 D N -1.410 118.991 120.400 0.001 0.000 2.403 489 D HA -0.005 4.635 4.640 0.001 0.000 0.227 489 D C 0.952 177.251 176.300 -0.002 0.000 0.995 489 D CA 0.995 54.995 54.000 0.001 0.000 0.928 489 D CB -0.450 40.349 40.800 -0.002 0.000 0.887 489 D HN 0.409 nan 8.370 nan 0.000 0.529 490 G N -0.276 108.523 108.800 -0.002 0.000 2.160 490 G HA2 -0.242 3.719 3.960 0.001 0.000 0.244 490 G HA3 -0.242 3.719 3.960 0.001 0.000 0.244 490 G C 0.292 175.177 174.900 -0.025 0.000 1.022 490 G CA 0.480 45.574 45.100 -0.010 0.000 0.741 490 G HN 0.747 nan 8.290 nan 0.000 0.508 491 T N -2.539 112.002 114.554 -0.023 0.000 2.952 491 T HA 0.700 5.051 4.350 0.001 0.000 0.286 491 T C 0.347 175.023 174.700 -0.040 0.000 1.024 491 T CA -0.551 61.528 62.100 -0.035 0.000 1.029 491 T CB 2.567 71.419 68.868 -0.025 0.000 1.094 491 T HN 0.761 nan 8.240 nan 0.000 0.515 492 V N 2.484 122.354 119.914 -0.075 0.000 2.521 492 V HA 0.172 4.293 4.120 0.001 0.000 0.286 492 V C 1.557 177.615 176.094 -0.059 0.000 1.034 492 V CA 0.007 62.240 62.300 -0.111 0.000 1.045 492 V CB 0.525 32.174 31.823 -0.290 0.000 0.974 492 V HN 1.053 nan 8.190 nan 0.000 0.480 493 K N 3.292 123.672 120.400 -0.033 0.000 2.244 493 K HA 0.161 4.482 4.320 0.001 0.000 0.200 493 K C 0.486 177.111 176.600 0.043 0.000 1.052 493 K CA 0.882 57.169 56.287 0.000 0.000 0.980 493 K CB 0.532 33.025 32.500 -0.011 0.000 0.838 493 K HN 0.834 nan 8.250 nan 0.000 0.481 494 S N -1.712 114.018 115.700 0.049 0.000 2.611 494 S HA 0.375 4.845 4.470 0.001 0.000 0.270 494 S C -1.786 172.897 174.600 0.138 0.000 1.131 494 S CA -1.201 57.103 58.200 0.174 0.000 0.826 494 S CB 0.203 63.595 63.200 0.320 0.000 1.095 494 S HN 0.266 nan 8.310 nan 0.000 0.461 495 W N 1.158 122.577 121.300 0.199 0.000 2.639 495 W HA 0.629 5.289 4.660 0.001 0.000 0.347 495 W C 0.309 176.512 176.519 -0.527 0.000 1.067 495 W CA -0.534 56.826 57.345 0.025 0.000 1.218 495 W CB 1.374 30.796 29.460 -0.063 0.000 1.393 495 W HN 0.945 nan 8.180 nan 0.000 0.557 496 Q N 1.094 120.551 119.800 -0.573 0.000 2.315 496 Q HA -0.019 4.322 4.340 0.001 0.000 0.289 496 Q C 0.910 176.583 176.000 -0.546 0.000 1.044 496 Q CA 0.933 56.059 55.803 -1.129 0.000 0.920 496 Q CB 1.084 29.547 28.738 -0.460 0.000 1.214 496 Q HN 0.655 nan 8.270 nan 0.000 0.392 497 T N 4.094 118.302 114.554 -0.578 0.000 2.622 497 T HA -0.064 4.287 4.350 0.001 0.000 0.266 497 T C 0.476 175.051 174.700 -0.208 0.000 1.047 497 T CA 1.171 63.092 62.100 -0.298 0.000 1.159 497 T CB -0.017 68.714 68.868 -0.227 0.000 0.863 497 T HN 0.543 nan 8.240 nan 0.000 0.422 498 I N 1.221 121.676 120.570 -0.191 0.000 2.354 498 I HA 0.271 4.441 4.170 0.001 0.000 0.292 498 I C 0.154 176.184 176.117 -0.146 0.000 0.989 498 I CA -0.637 60.577 61.300 -0.144 0.000 1.188 498 I CB 1.576 39.510 38.000 -0.110 0.000 1.342 498 I HN 0.100 nan 8.210 nan 0.000 0.457 499 Q N 5.055 124.774 119.800 -0.135 0.000 2.330 499 Q HA 0.055 4.396 4.340 0.001 0.000 0.279 499 Q C -0.858 175.038 176.000 -0.175 0.000 1.024 499 Q CA 0.081 55.811 55.803 -0.121 0.000 0.900 499 Q CB 0.657 29.348 28.738 -0.078 0.000 1.221 499 Q HN 0.414 nan 8.270 nan 0.000 0.396 500 Q N 1.558 121.152 119.800 -0.342 0.000 2.266 500 Q HA 0.495 4.836 4.340 0.001 0.000 0.261 500 Q C -0.966 174.763 176.000 -0.451 0.000 0.985 500 Q CA -0.388 55.112 55.803 -0.506 0.000 0.873 500 Q CB 2.160 30.277 28.738 -1.036 0.000 1.306 500 Q HN 0.798 nan 8.270 nan 0.000 0.447 501 S N -0.158 115.441 115.700 -0.168 0.000 2.595 501 S HA 0.680 5.151 4.470 0.001 0.000 0.281 501 S C -1.516 173.225 174.600 0.236 0.000 1.117 501 S CA -0.829 57.393 58.200 0.037 0.000 0.873 501 S CB 1.706 64.948 63.200 0.070 0.000 1.108 501 S HN 0.569 nan 8.310 nan 0.000 0.477 502 W N 2.343 123.745 121.300 0.170 0.000 2.543 502 W HA 0.527 5.188 4.660 0.001 0.000 0.318 502 W C -1.415 175.162 176.519 0.098 0.000 1.002 502 W CA -1.189 56.266 57.345 0.183 0.000 1.302 502 W CB 1.248 30.810 29.460 0.170 0.000 1.299 502 W HN 0.740 nan 8.180 nan 0.000 0.424 503 N N 6.365 125.284 118.700 0.366 0.000 2.682 503 N HA 0.340 5.081 4.740 0.001 0.000 0.252 503 N C -2.410 173.154 175.510 0.090 0.000 1.081 503 N CA -0.755 52.393 53.050 0.164 0.000 0.844 503 N CB 1.935 40.505 38.487 0.138 0.000 1.167 503 N HN 0.156 nan 8.380 nan 0.000 0.523 504 P HA 0.404 nan 4.420 nan 0.000 0.307 504 P C -0.363 176.779 177.300 -0.263 0.000 1.307 504 P CA -0.579 62.487 63.100 -0.057 0.000 0.814 504 P CB 1.291 32.940 31.700 -0.084 0.000 1.311 505 V N 2.085 121.805 119.914 -0.324 0.000 2.529 505 V HA 0.106 4.226 4.120 0.001 0.000 0.292 505 V C -1.881 173.840 176.094 -0.621 0.000 1.028 505 V CA -0.867 60.992 62.300 -0.735 0.000 1.074 505 V CB -0.189 31.364 31.823 -0.451 0.000 0.958 505 V HN 0.574 nan 8.190 nan 0.000 0.481 506 P HA 0.007 nan 4.420 nan 0.000 0.268 506 P C 0.628 177.744 177.300 -0.307 0.000 1.208 506 P CA -0.245 62.599 63.100 -0.426 0.000 0.777 506 P CB 0.560 32.040 31.700 -0.366 0.000 0.875 507 L N 1.122 122.230 121.223 -0.191 0.000 2.156 507 L HA 0.017 4.358 4.340 0.001 0.000 0.208 507 L C 0.981 177.783 176.870 -0.114 0.000 1.095 507 L CA 1.701 56.458 54.840 -0.138 0.000 0.770 507 L CB -1.147 40.856 42.059 -0.094 0.000 0.914 507 L HN 0.390 nan 8.230 nan 0.000 0.439 508 K N -0.407 119.932 120.400 -0.101 0.000 2.143 508 K HA 0.164 4.485 4.320 0.001 0.000 0.272 508 K C -0.313 176.250 176.600 -0.061 0.000 1.001 508 K CA -0.362 55.887 56.287 -0.063 0.000 0.915 508 K CB 1.112 33.590 32.500 -0.038 0.000 1.047 508 K HN -0.113 nan 8.250 nan 0.000 0.458 509 T N 2.714 117.249 114.554 -0.031 0.000 2.870 509 T HA 0.120 4.471 4.350 0.001 0.000 0.300 509 T C -0.103 174.622 174.700 0.041 0.000 0.989 509 T CA 0.221 62.319 62.100 -0.003 0.000 1.139 509 T CB 0.858 69.725 68.868 -0.001 0.000 0.920 509 T HN 0.779 nan 8.240 nan 0.000 0.537 510 T N 1.296 115.914 114.554 0.107 0.000 2.626 510 T HA 0.668 5.018 4.350 0.001 0.000 0.285 510 T C -1.417 173.426 174.700 0.239 0.000 1.194 510 T CA -0.244 61.953 62.100 0.162 0.000 1.112 510 T CB 0.856 69.831 68.868 0.178 0.000 1.714 510 T HN 0.694 nan 8.240 nan 0.000 0.457 511 S N 0.438 116.295 115.700 0.262 0.000 2.588 511 S HA 0.611 5.082 4.470 0.001 0.000 0.275 511 S C -1.631 173.035 174.600 0.109 0.000 1.130 511 S CA -0.770 57.554 58.200 0.207 0.000 0.855 511 S CB 1.587 64.846 63.200 0.098 0.000 1.116 511 S HN 0.873 nan 8.310 nan 0.000 0.472 512 H N 1.171 120.115 119.070 -0.209 0.000 2.587 512 H HA 0.544 5.101 4.556 0.001 0.000 0.325 512 H C -1.254 173.975 175.328 -0.165 0.000 1.012 512 H CA -0.101 55.690 56.048 -0.428 0.000 1.213 512 H CB 1.359 30.543 29.762 -0.964 0.000 1.431 512 H HN 0.774 nan 8.280 nan 0.000 0.492 513 T N 4.251 118.700 114.554 -0.174 0.000 2.786 513 T HA 0.392 4.743 4.350 0.001 0.000 0.283 513 T C -0.360 174.289 174.700 -0.086 0.000 0.992 513 T CA -0.767 61.304 62.100 -0.048 0.000 0.954 513 T CB 0.891 69.739 68.868 -0.033 0.000 0.934 513 T HN 0.635 nan 8.240 nan 0.000 0.440 514 S N 1.861 117.597 115.700 0.061 0.000 2.595 514 S HA 0.792 5.263 4.470 0.001 0.000 0.281 514 S C -0.610 174.063 174.600 0.121 0.000 1.117 514 S CA -0.854 57.390 58.200 0.072 0.000 0.873 514 S CB 2.077 65.355 63.200 0.130 0.000 1.108 514 S HN 0.427 nan 8.310 nan 0.000 0.477 515 S N 1.143 116.904 115.700 0.102 0.000 2.608 515 S HA 0.476 4.947 4.470 0.001 0.000 0.291 515 S C -0.343 174.373 174.600 0.194 0.000 1.146 515 S CA -0.805 57.485 58.200 0.151 0.000 1.043 515 S CB 0.481 63.743 63.200 0.104 0.000 1.037 515 S HN 0.675 nan 8.310 nan 0.000 0.520 516 W N 0.000 121.337 121.300 0.062 0.000 2.388 516 W HA 0.000 4.661 4.660 0.001 0.000 0.303 516 W CA 0.000 57.380 57.345 0.059 0.000 1.226 516 W CB 0.000 29.491 29.460 0.051 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535