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 1j10_1_A 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 0.000 177.597 177.584 0.022 0.000 1.274 1 A CA 0.000 51.989 52.037 -0.080 0.000 0.836 1 A CB 0.000 18.944 19.000 -0.093 0.000 0.831 2 V N 2.726 122.608 119.914 -0.054 0.000 2.681 2 V HA 0.015 4.136 4.120 0.001 0.000 0.306 2 V C 1.057 177.179 176.094 0.047 0.000 1.077 2 V CA 1.634 63.935 62.300 0.002 0.000 1.224 2 V CB -0.379 31.369 31.823 -0.125 0.000 0.879 2 V HN 1.057 nan 8.190 nan 0.000 0.494 3 N N 3.044 121.792 118.700 0.081 0.000 2.900 3 N HA -0.236 4.505 4.740 0.001 0.000 0.240 3 N C 0.982 176.580 175.510 0.148 0.000 0.953 3 N CA 1.828 54.941 53.050 0.104 0.000 0.950 3 N CB -1.267 37.270 38.487 0.083 0.000 1.102 3 N HN 1.501 nan 8.380 nan 0.000 0.593 4 G N -0.529 108.364 108.800 0.156 0.000 2.227 4 G HA2 -0.217 3.743 3.960 0.001 0.000 0.168 4 G HA3 -0.217 3.743 3.960 0.001 0.000 0.168 4 G C -0.093 174.866 174.900 0.099 0.000 1.006 4 G CA 0.393 45.593 45.100 0.166 0.000 0.684 4 G HN 0.738 nan 8.290 nan 0.000 0.489 5 K N 0.179 120.624 120.400 0.076 0.000 2.210 5 K HA 0.832 5.152 4.320 0.001 0.000 0.236 5 K C 0.766 177.376 176.600 0.016 0.000 1.016 5 K CA -0.308 56.006 56.287 0.046 0.000 0.913 5 K CB 1.709 34.230 32.500 0.036 0.000 1.141 5 K HN 0.386 nan 8.250 nan 0.000 0.462 6 G N 0.123 108.921 108.800 -0.002 0.000 2.990 6 G HA2 0.379 4.340 3.960 0.001 0.000 0.208 6 G HA3 0.379 4.340 3.960 0.001 0.000 0.208 6 G C -0.161 174.721 174.900 -0.030 0.000 1.334 6 G CA -1.183 43.896 45.100 -0.035 0.000 1.024 6 G HN 0.792 nan 8.290 nan 0.000 0.574 7 M N -0.095 119.471 119.600 -0.056 0.000 2.226 7 M HA 0.324 4.805 4.480 0.001 0.000 0.324 7 M C 0.031 176.348 176.300 0.029 0.000 1.112 7 M CA -0.542 54.754 55.300 -0.008 0.000 1.176 7 M CB 0.442 32.967 32.600 -0.124 0.000 1.430 7 M HN 0.358 nan 8.290 nan 0.000 0.462 8 N N 1.810 120.573 118.700 0.104 0.000 2.468 8 N HA 0.163 4.903 4.740 0.001 0.000 0.265 8 N C -2.067 173.501 175.510 0.098 0.000 1.199 8 N CA -1.381 51.736 53.050 0.112 0.000 0.928 8 N CB 0.998 39.589 38.487 0.173 0.000 1.059 8 N HN 0.445 nan 8.380 nan 0.000 0.467 9 P HA -0.060 nan 4.420 nan 0.000 0.219 9 P C -0.045 177.278 177.300 0.038 0.000 1.146 9 P CA 1.144 64.260 63.100 0.027 0.000 0.808 9 P CB 0.318 32.024 31.700 0.010 0.000 0.779 10 D N -2.771 117.661 120.400 0.053 0.000 2.328 10 D HA -0.016 4.625 4.640 0.001 0.000 0.221 10 D C 0.388 176.704 176.300 0.028 0.000 1.072 10 D CA -0.208 53.804 54.000 0.020 0.000 0.850 10 D CB -0.602 40.204 40.800 0.009 0.000 0.922 10 D HN 0.222 nan 8.370 nan 0.000 0.516 11 Y N 2.685 122.984 120.300 -0.003 0.000 2.811 11 Y HA -0.063 4.487 4.550 0.001 0.000 0.334 11 Y C 0.142 175.998 175.900 -0.073 0.000 1.247 11 Y CA 0.337 58.448 58.100 0.019 0.000 1.526 11 Y CB 0.324 38.851 38.460 0.112 0.000 1.284 11 Y HN -0.296 nan 8.280 nan 0.000 0.586 12 K N 4.648 124.414 120.400 -1.056 0.000 2.532 12 K HA 0.730 5.050 4.320 0.001 0.000 0.265 12 K C -1.562 174.271 176.600 -1.278 0.000 0.948 12 K CA -0.909 54.788 56.287 -0.983 0.000 0.842 12 K CB 2.070 34.116 32.500 -0.758 0.000 1.392 12 K HN 0.632 nan 8.250 nan 0.000 0.436 13 A N 2.121 124.458 122.820 -0.806 0.000 2.330 13 A HA 0.779 5.100 4.320 0.001 0.000 0.327 13 A C -1.430 176.034 177.584 -0.200 0.000 1.155 13 A CA -0.512 51.296 52.037 -0.382 0.000 0.803 13 A CB 0.476 19.487 19.000 0.019 0.000 1.208 13 A HN 0.628 nan 8.150 nan 0.000 0.477 14 Y N 0.512 121.022 120.300 0.349 0.000 2.570 14 Y HA 0.657 5.208 4.550 0.001 0.000 0.345 14 Y C -0.410 175.593 175.900 0.171 0.000 1.014 14 Y CA -1.134 57.137 58.100 0.284 0.000 1.063 14 Y CB 2.078 40.620 38.460 0.136 0.000 1.272 14 Y HN 0.604 nan 8.280 nan 0.000 0.477 15 L N 2.660 123.907 121.223 0.039 0.000 2.346 15 L HA 0.589 4.929 4.340 0.001 0.000 0.276 15 L C -0.842 175.970 176.870 -0.097 0.000 1.006 15 L CA -0.948 53.694 54.840 -0.329 0.000 0.817 15 L CB 1.666 43.157 42.059 -0.947 0.000 1.272 15 L HN 0.748 nan 8.230 nan 0.000 0.421 16 M N 4.580 124.135 119.600 -0.075 0.000 2.185 16 M HA 0.640 5.120 4.480 0.001 0.000 0.357 16 M C 0.035 176.363 176.300 0.047 0.000 1.260 16 M CA 0.200 55.482 55.300 -0.030 0.000 1.124 16 M CB 0.980 33.551 32.600 -0.048 0.000 1.600 16 M HN 0.764 nan 8.290 nan 0.000 0.467 17 A N 7.158 130.000 122.820 0.037 0.000 2.346 17 A HA 0.669 4.989 4.320 0.001 0.000 0.252 17 A C -2.436 175.129 177.584 -0.031 0.000 1.089 17 A CA -1.217 50.837 52.037 0.029 0.000 0.797 17 A CB -0.751 18.293 19.000 0.073 0.000 1.047 17 A HN 0.696 nan 8.150 nan 0.000 0.494 18 P HA 0.063 nan 4.420 nan 0.000 0.272 18 P C 0.571 177.873 177.300 0.004 0.000 1.240 18 P CA -0.402 62.670 63.100 -0.047 0.000 0.791 18 P CB 0.450 32.084 31.700 -0.110 0.000 0.978 19 L N -0.441 120.810 121.223 0.047 0.000 2.056 19 L HA -0.002 4.338 4.340 0.001 0.000 0.207 19 L C 1.376 178.301 176.870 0.092 0.000 1.078 19 L CA 1.794 56.700 54.840 0.109 0.000 0.749 19 L CB -1.423 40.684 42.059 0.079 0.000 0.901 19 L HN 0.437 nan 8.230 nan 0.000 0.433 20 K N 0.383 120.789 120.400 0.010 0.000 2.107 20 K HA 0.153 4.474 4.320 0.001 0.000 0.251 20 K C 0.279 176.848 176.600 -0.051 0.000 1.012 20 K CA -0.517 55.748 56.287 -0.036 0.000 0.920 20 K CB 0.717 33.182 32.500 -0.058 0.000 1.033 20 K HN -0.010 nan 8.250 nan 0.000 0.478 21 K N 1.305 121.634 120.400 -0.119 0.000 2.319 21 K HA 0.023 4.343 4.320 0.001 0.000 0.265 21 K C 1.362 177.882 176.600 -0.132 0.000 1.000 21 K CA -0.471 55.716 56.287 -0.167 0.000 0.943 21 K CB 0.363 32.612 32.500 -0.419 0.000 0.950 21 K HN 0.381 nan 8.250 nan 0.000 0.485 22 I N 3.712 124.196 120.570 -0.143 0.000 2.118 22 I HA -0.210 3.961 4.170 0.001 0.000 0.241 22 I C -0.642 175.179 176.117 -0.494 0.000 1.070 22 I CA 1.529 62.523 61.300 -0.510 0.000 1.327 22 I CB -1.961 35.324 38.000 -1.192 0.000 1.034 22 I HN 0.606 nan 8.210 nan 0.000 0.405 23 P HA -0.132 nan 4.420 nan 0.000 0.236 23 P C 0.989 178.186 177.300 -0.171 0.000 1.172 23 P CA 1.291 64.192 63.100 -0.332 0.000 0.759 23 P CB -0.079 31.513 31.700 -0.180 0.000 0.843 24 E N -0.461 119.646 120.200 -0.155 0.000 2.340 24 E HA -0.008 4.342 4.350 0.001 0.000 0.198 24 E C 1.832 178.380 176.600 -0.087 0.000 0.961 24 E CA 0.493 56.832 56.400 -0.101 0.000 0.905 24 E CB 0.144 29.788 29.700 -0.093 0.000 0.884 24 E HN 0.166 nan 8.360 nan 0.000 0.491 25 V N -2.449 117.405 119.914 -0.101 0.000 3.565 25 V HA 0.246 4.366 4.120 0.001 0.000 0.260 25 V C 0.809 176.885 176.094 -0.029 0.000 1.231 25 V CA 0.761 63.030 62.300 -0.053 0.000 1.100 25 V CB 0.822 32.625 31.823 -0.032 0.000 0.807 25 V HN 0.112 nan 8.190 nan 0.000 0.454 26 T N 0.723 115.231 114.554 -0.076 0.000 2.671 26 T HA 0.378 4.728 4.350 0.001 0.000 0.287 26 T C -1.839 172.789 174.700 -0.120 0.000 1.630 26 T CA 0.039 62.117 62.100 -0.037 0.000 1.001 26 T CB 0.926 69.839 68.868 0.076 0.000 1.970 26 T HN 0.795 nan 8.240 nan 0.000 0.437 27 N N -0.980 117.673 118.700 -0.078 0.000 2.321 27 N HA 0.446 5.186 4.740 0.001 0.000 0.290 27 N C 0.268 175.746 175.510 -0.052 0.000 1.212 27 N CA -0.931 52.046 53.050 -0.122 0.000 0.767 27 N CB 0.567 39.054 38.487 0.001 0.000 1.494 27 N HN 0.741 nan 8.380 nan 0.000 0.479 28 W N -0.114 121.229 121.300 0.071 0.000 2.325 28 W HA -0.135 4.526 4.660 0.001 0.000 0.299 28 W C 1.469 178.079 176.519 0.153 0.000 1.215 28 W CA 0.909 58.313 57.345 0.098 0.000 1.244 28 W CB -0.091 29.395 29.460 0.043 0.000 1.140 28 W HN 0.648 nan 8.180 nan 0.000 0.523 29 E N -0.650 119.737 120.200 0.312 0.000 2.072 29 E HA -0.137 4.213 4.350 0.001 0.000 0.191 29 E C 2.106 178.812 176.600 0.177 0.000 0.985 29 E CA 2.030 58.556 56.400 0.209 0.000 0.801 29 E CB -0.947 28.840 29.700 0.145 0.000 0.750 29 E HN 0.070 nan 8.360 nan 0.000 0.452 30 T N 0.721 115.378 114.554 0.173 0.000 2.777 30 T HA -0.102 4.248 4.350 0.001 0.000 0.266 30 T C 1.504 176.330 174.700 0.210 0.000 1.040 30 T CA 0.930 63.124 62.100 0.157 0.000 1.141 30 T CB -0.421 68.534 68.868 0.144 0.000 0.868 30 T HN 0.158 nan 8.240 nan 0.000 0.444 31 F N 2.397 122.404 119.950 0.095 0.000 2.091 31 F HA -0.150 4.378 4.527 0.001 0.000 0.299 31 F C 2.159 178.026 175.800 0.111 0.000 1.103 31 F CA 1.520 59.584 58.000 0.106 0.000 1.228 31 F CB -0.402 38.607 39.000 0.016 0.000 0.984 31 F HN 0.193 nan 8.300 nan 0.000 0.477 32 E N -0.188 120.030 120.200 0.030 0.000 2.110 32 E HA -0.230 4.120 4.350 0.001 0.000 0.193 32 E C 1.920 178.477 176.600 -0.072 0.000 0.988 32 E CA 1.147 57.487 56.400 -0.100 0.000 0.804 32 E CB -0.304 29.423 29.700 0.045 0.000 0.745 32 E HN 0.402 nan 8.360 nan 0.000 0.458 33 N N 1.034 119.739 118.700 0.009 0.000 2.120 33 N HA -0.136 4.604 4.740 0.001 0.000 0.188 33 N C 1.303 176.836 175.510 0.039 0.000 1.024 33 N CA 1.097 54.164 53.050 0.028 0.000 0.852 33 N CB -0.225 38.286 38.487 0.041 0.000 1.003 33 N HN 0.126 nan 8.380 nan 0.000 0.424 34 D N 0.483 120.896 120.400 0.022 0.000 2.144 34 D HA -0.070 4.571 4.640 0.001 0.000 0.199 34 D C 2.073 178.344 176.300 -0.047 0.000 0.984 34 D CA 0.460 54.475 54.000 0.025 0.000 0.834 34 D CB -0.199 40.635 40.800 0.057 0.000 0.955 34 D HN 0.263 nan 8.370 nan 0.000 0.465 35 L N 0.216 121.328 121.223 -0.184 0.000 2.093 35 L HA -0.072 4.268 4.340 0.001 0.000 0.208 35 L C 2.527 179.352 176.870 -0.075 0.000 1.085 35 L CA 0.918 55.631 54.840 -0.210 0.000 0.755 35 L CB -0.185 41.650 42.059 -0.372 0.000 0.904 35 L HN -0.050 nan 8.230 nan 0.000 0.435 36 R N -0.850 119.640 120.500 -0.016 0.000 2.092 36 R HA -0.195 4.145 4.340 0.001 0.000 0.231 36 R C 2.165 178.546 176.300 0.136 0.000 1.119 36 R CA 1.552 57.680 56.100 0.047 0.000 0.970 36 R CB -0.380 29.953 30.300 0.056 0.000 0.864 36 R HN 0.546 nan 8.270 nan 0.000 0.440 37 W N 1.309 122.577 121.300 -0.053 0.000 2.381 37 W HA -0.153 4.508 4.660 0.001 0.000 0.301 37 W C 1.879 178.396 176.519 -0.003 0.000 1.205 37 W CA 1.213 58.539 57.345 -0.033 0.000 1.285 37 W CB -0.071 29.355 29.460 -0.057 0.000 1.133 37 W HN 0.120 nan 8.180 nan 0.000 0.521 38 A N 0.888 123.650 122.820 -0.096 0.000 1.933 38 A HA -0.259 4.061 4.320 0.001 0.000 0.218 38 A C 1.985 179.598 177.584 0.049 0.000 1.175 38 A CA 2.018 53.984 52.037 -0.119 0.000 0.628 38 A CB -0.964 17.904 19.000 -0.221 0.000 0.814 38 A HN 0.382 nan 8.150 nan 0.000 0.444 39 K N -0.994 119.414 120.400 0.013 0.000 2.097 39 K HA -0.221 4.099 4.320 0.001 0.000 0.206 39 K C 2.210 178.801 176.600 -0.014 0.000 1.049 39 K CA 1.671 57.978 56.287 0.033 0.000 0.933 39 K CB -0.120 32.388 32.500 0.012 0.000 0.717 39 K HN 0.414 nan 8.250 nan 0.000 0.442 40 Q N 0.748 120.506 119.800 -0.069 0.000 2.167 40 Q HA -0.017 4.324 4.340 0.001 0.000 0.202 40 Q C 0.789 176.659 176.000 -0.216 0.000 0.970 40 Q CA 1.278 57.015 55.803 -0.110 0.000 0.855 40 Q CB 0.176 28.870 28.738 -0.075 0.000 0.911 40 Q HN 0.315 nan 8.270 nan 0.000 0.438 41 N N -1.191 117.325 118.700 -0.307 0.000 2.313 41 N HA 0.111 4.851 4.740 0.001 0.000 0.207 41 N C 0.174 175.561 175.510 -0.206 0.000 1.141 41 N CA 0.751 53.626 53.050 -0.291 0.000 0.830 41 N CB 1.023 39.276 38.487 -0.389 0.000 1.008 41 N HN 0.380 nan 8.380 nan 0.000 0.481 42 G N 0.644 109.361 108.800 -0.138 0.000 2.176 42 G HA2 -0.250 3.711 3.960 0.001 0.000 0.232 42 G HA3 -0.250 3.711 3.960 0.001 0.000 0.232 42 G C -0.140 174.698 174.900 -0.103 0.000 0.986 42 G CA -0.496 44.526 45.100 -0.130 0.000 0.643 42 G HN 0.230 nan 8.290 nan 0.000 0.522 43 F N 0.184 120.161 119.950 0.044 0.000 2.427 43 F HA 0.555 5.082 4.527 0.001 0.000 0.352 43 F C 1.312 177.168 175.800 0.094 0.000 1.100 43 F CA -0.376 57.657 58.000 0.056 0.000 1.191 43 F CB 0.808 39.793 39.000 -0.026 0.000 1.128 43 F HN 0.093 nan 8.300 nan 0.000 0.533 44 Y N 2.565 122.986 120.300 0.202 0.000 2.436 44 Y HA 0.518 5.069 4.550 0.001 0.000 0.288 44 Y C 0.596 176.647 175.900 0.251 0.000 1.112 44 Y CA 0.673 58.876 58.100 0.171 0.000 1.220 44 Y CB 0.238 38.761 38.460 0.105 0.000 1.073 44 Y HN 0.507 nan 8.280 nan 0.000 0.552 45 A N -0.114 122.965 122.820 0.431 0.000 2.609 45 A HA 0.549 4.869 4.320 0.001 0.000 0.291 45 A C -2.119 175.599 177.584 0.223 0.000 1.096 45 A CA -0.628 51.554 52.037 0.241 0.000 0.684 45 A CB 0.638 19.778 19.000 0.235 0.000 1.282 45 A HN 0.142 nan 8.150 nan 0.000 0.412 46 I N 1.364 122.009 120.570 0.126 0.000 2.339 46 I HA 0.577 4.748 4.170 0.001 0.000 0.290 46 I C 0.489 176.657 176.117 0.085 0.000 0.994 46 I CA 0.295 61.672 61.300 0.127 0.000 1.191 46 I CB 1.760 39.894 38.000 0.223 0.000 1.343 46 I HN 0.771 nan 8.210 nan 0.000 0.458 47 T N 4.803 119.367 114.554 0.016 0.000 2.837 47 T HA 0.707 5.058 4.350 0.001 0.000 0.285 47 T C -0.621 173.979 174.700 -0.167 0.000 0.984 47 T CA -0.632 61.419 62.100 -0.083 0.000 1.049 47 T CB 1.411 70.223 68.868 -0.095 0.000 0.947 47 T HN 0.574 nan 8.240 nan 0.000 0.472 48 V N 2.154 121.852 119.914 -0.359 0.000 2.932 48 V HA 0.379 4.500 4.120 0.001 0.000 0.307 48 V C -1.438 174.135 176.094 -0.870 0.000 1.147 48 V CA -0.930 61.002 62.300 -0.612 0.000 0.951 48 V CB 2.201 33.459 31.823 -0.942 0.000 1.031 48 V HN 1.077 nan 8.190 nan 0.000 0.426 49 D N 5.359 125.273 120.400 -0.810 0.000 2.312 49 D HA 0.300 4.940 4.640 0.001 0.000 0.252 49 D C -0.939 174.665 176.300 -1.160 0.000 1.150 49 D CA 0.568 53.954 54.000 -1.024 0.000 0.870 49 D CB 1.113 41.156 40.800 -1.262 0.000 1.153 49 D HN 0.439 nan 8.370 nan 0.000 0.457 50 F N 1.906 121.442 119.950 -0.690 0.000 2.347 50 F HA 0.244 4.772 4.527 0.001 0.000 0.366 50 F C -0.036 175.516 175.800 -0.413 0.000 1.107 50 F CA -1.240 56.529 58.000 -0.384 0.000 1.058 50 F CB 0.794 39.705 39.000 -0.150 0.000 1.236 50 F HN 0.226 nan 8.300 nan 0.000 0.456 51 W N 4.054 125.449 121.300 0.158 0.000 2.303 51 W HA 0.018 4.678 4.660 0.001 0.000 0.318 51 W C 0.919 177.559 176.519 0.202 0.000 1.362 51 W CA -0.583 56.813 57.345 0.084 0.000 1.234 51 W CB 0.383 29.846 29.460 0.006 0.000 1.248 51 W HN 0.650 nan 8.180 nan 0.000 0.546 52 W N 2.900 124.322 121.300 0.203 0.000 2.338 52 W HA -0.156 4.504 4.660 0.001 0.000 0.304 52 W C 1.944 178.549 176.519 0.144 0.000 1.212 52 W CA 2.196 59.624 57.345 0.139 0.000 1.264 52 W CB -1.047 28.443 29.460 0.051 0.000 1.142 52 W HN 0.482 nan 8.180 nan 0.000 0.512 53 G N -0.247 108.674 108.800 0.200 0.000 2.479 53 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 53 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 53 G C 1.226 176.168 174.900 0.069 0.000 1.115 53 G CA 1.353 46.451 45.100 -0.003 0.000 0.757 53 G HN 0.246 nan 8.290 nan 0.000 0.560 54 D N 0.049 120.562 120.400 0.188 0.000 2.259 54 D HA 0.064 4.705 4.640 0.001 0.000 0.216 54 D C 2.648 179.043 176.300 0.157 0.000 0.961 54 D CA 0.453 54.550 54.000 0.160 0.000 0.878 54 D CB -0.114 40.816 40.800 0.217 0.000 1.009 54 D HN 0.308 nan 8.370 nan 0.000 0.490 55 M N -0.131 119.607 119.600 0.229 0.000 2.492 55 M HA 0.018 4.498 4.480 0.001 0.000 0.262 55 M C 0.917 177.335 176.300 0.196 0.000 1.090 55 M CA 0.912 56.300 55.300 0.148 0.000 1.110 55 M CB 0.388 33.127 32.600 0.232 0.000 1.407 55 M HN -0.160 nan 8.290 nan 0.000 0.470 56 E N 0.420 120.799 120.200 0.298 0.000 3.843 56 E HA 0.059 4.409 4.350 0.001 0.000 0.189 56 E C 0.806 177.553 176.600 0.244 0.000 1.013 56 E CA -0.078 56.495 56.400 0.288 0.000 1.395 56 E CB 0.566 30.618 29.700 0.588 0.000 1.136 56 E HN 0.199 nan 8.360 nan 0.000 0.444 57 K N 0.448 120.929 120.400 0.135 0.000 1.985 57 K HA -0.144 4.177 4.320 0.001 0.000 0.210 57 K C 1.177 177.884 176.600 0.178 0.000 1.047 57 K CA 2.121 58.472 56.287 0.105 0.000 0.932 57 K CB 0.053 32.582 32.500 0.050 0.000 0.716 57 K HN 0.180 nan 8.250 nan 0.000 0.439 58 N N -0.729 118.017 118.700 0.075 0.000 2.381 58 N HA 0.007 4.748 4.740 0.001 0.000 0.182 58 N C 0.342 175.784 175.510 -0.114 0.000 1.025 58 N CA 0.665 53.723 53.050 0.013 0.000 0.888 58 N CB 0.460 38.925 38.487 -0.037 0.000 0.965 58 N HN 0.342 nan 8.380 nan 0.000 0.438 59 G N -0.431 108.162 108.800 -0.345 0.000 2.325 59 G HA2 0.026 3.986 3.960 0.001 0.000 0.297 59 G HA3 0.026 3.986 3.960 0.001 0.000 0.297 59 G C -2.033 172.106 174.900 -1.267 0.000 1.448 59 G CA -0.933 43.534 45.100 -1.056 0.000 0.838 59 G HN -0.054 nan 8.290 nan 0.000 0.579 60 D N 0.762 120.124 120.400 -1.731 0.000 2.520 60 D HA 0.267 4.907 4.640 0.001 0.000 0.243 60 D C 1.080 176.979 176.300 -0.667 0.000 1.160 60 D CA 1.141 54.422 54.000 -1.199 0.000 0.877 60 D CB 0.472 40.769 40.800 -0.838 0.000 1.150 60 D HN 0.474 nan 8.370 nan 0.000 0.494 61 Q N 1.457 120.859 119.800 -0.663 0.000 2.416 61 Q HA -0.264 4.077 4.340 0.001 0.000 0.235 61 Q C -0.462 175.058 176.000 -0.800 0.000 0.773 61 Q CA 0.924 56.223 55.803 -0.839 0.000 1.286 61 Q CB -1.854 26.693 28.738 -0.319 0.000 1.556 61 Q HN 0.767 nan 8.270 nan 0.000 0.650 62 Q N 0.199 119.604 119.800 -0.657 0.000 2.810 62 Q HA 0.388 4.728 4.340 0.001 0.000 0.236 62 Q C -0.277 175.550 176.000 -0.289 0.000 1.278 62 Q CA -0.169 55.418 55.803 -0.361 0.000 1.065 62 Q CB -0.054 28.525 28.738 -0.265 0.000 1.364 62 Q HN 0.169 nan 8.270 nan 0.000 0.570 63 F N 0.725 120.636 119.950 -0.064 0.000 2.410 63 F HA 0.164 4.691 4.527 0.001 0.000 0.334 63 F C 0.829 176.441 175.800 -0.313 0.000 1.134 63 F CA -0.374 57.481 58.000 -0.241 0.000 1.227 63 F CB 0.815 39.660 39.000 -0.258 0.000 1.194 63 F HN 0.220 nan 8.300 nan 0.000 0.571 64 D N 2.053 122.271 120.400 -0.303 0.000 2.328 64 D HA 0.201 4.841 4.640 0.001 0.000 0.243 64 D C -0.669 175.468 176.300 -0.271 0.000 1.324 64 D CA -0.330 53.560 54.000 -0.183 0.000 0.966 64 D CB 0.043 40.824 40.800 -0.032 0.000 1.324 64 D HN 0.323 nan 8.370 nan 0.000 0.549 65 F N 1.075 121.105 119.950 0.134 0.000 2.639 65 F HA 0.078 4.605 4.527 0.001 0.000 0.300 65 F C 2.378 178.179 175.800 0.003 0.000 1.109 65 F CA -0.196 57.831 58.000 0.045 0.000 1.335 65 F CB 0.356 39.335 39.000 -0.036 0.000 1.014 65 F HN 0.233 nan 8.300 nan 0.000 0.537 66 S N -0.203 115.593 115.700 0.159 0.000 2.370 66 S HA -0.325 4.146 4.470 0.001 0.000 0.226 66 S C 1.993 176.659 174.600 0.110 0.000 1.033 66 S CA 1.257 59.527 58.200 0.118 0.000 1.011 66 S CB -1.017 62.252 63.200 0.115 0.000 0.852 66 S HN 0.519 nan 8.310 nan 0.000 0.457 67 Y N 2.935 123.288 120.300 0.089 0.000 2.114 67 Y HA -0.007 4.543 4.550 0.001 0.000 0.284 67 Y C 2.726 178.688 175.900 0.105 0.000 1.143 67 Y CA 1.080 59.275 58.100 0.159 0.000 1.135 67 Y CB -1.110 37.487 38.460 0.230 0.000 0.980 67 Y HN 0.325 nan 8.280 nan 0.000 0.499 68 A N 0.089 122.833 122.820 -0.127 0.000 1.940 68 A HA -0.279 4.041 4.320 0.001 0.000 0.219 68 A C 2.105 179.412 177.584 -0.462 0.000 1.176 68 A CA 2.118 53.774 52.037 -0.635 0.000 0.631 68 A CB -0.742 17.666 19.000 -0.986 0.000 0.814 68 A HN 0.705 nan 8.150 nan 0.000 0.446 69 Q N -1.582 118.012 119.800 -0.344 0.000 2.123 69 Q HA -0.129 4.211 4.340 0.001 0.000 0.199 69 Q C 2.340 178.029 176.000 -0.519 0.000 0.966 69 Q CA 1.335 56.858 55.803 -0.468 0.000 0.845 69 Q CB -0.104 28.556 28.738 -0.131 0.000 0.907 69 Q HN 0.539 nan 8.270 nan 0.000 0.439 70 R N 0.554 120.819 120.500 -0.392 0.000 2.075 70 R HA -0.118 4.222 4.340 0.001 0.000 0.232 70 R C 1.702 177.542 176.300 -0.767 0.000 1.126 70 R CA 1.254 57.016 56.100 -0.563 0.000 0.963 70 R CB -0.678 29.304 30.300 -0.531 0.000 0.858 70 R HN 0.260 nan 8.270 nan 0.000 0.435 71 F N 0.433 119.969 119.950 -0.691 0.000 2.102 71 F HA -0.127 4.400 4.527 0.001 0.000 0.298 71 F C 2.018 177.701 175.800 -0.194 0.000 1.105 71 F CA 1.821 59.619 58.000 -0.337 0.000 1.239 71 F CB -0.472 38.453 39.000 -0.126 0.000 0.991 71 F HN 0.147 nan 8.300 nan 0.000 0.474 72 A N -0.401 122.398 122.820 -0.035 0.000 1.978 72 A HA -0.271 4.049 4.320 0.001 0.000 0.220 72 A C 2.019 179.458 177.584 -0.241 0.000 1.170 72 A CA 1.802 53.735 52.037 -0.173 0.000 0.636 72 A CB -0.908 17.724 19.000 -0.613 0.000 0.810 72 A HN 0.534 nan 8.150 nan 0.000 0.448 73 Q N 0.134 119.720 119.800 -0.358 0.000 2.084 73 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 73 Q C 2.239 178.164 176.000 -0.125 0.000 0.978 73 Q CA 2.201 57.899 55.803 -0.175 0.000 0.844 73 Q CB -0.550 28.066 28.738 -0.202 0.000 0.898 73 Q HN 0.529 nan 8.270 nan 0.000 0.426 74 S N -1.024 114.567 115.700 -0.183 0.000 2.402 74 S HA -0.079 4.391 4.470 0.001 0.000 0.229 74 S C 1.824 176.427 174.600 0.006 0.000 1.021 74 S CA 1.022 59.209 58.200 -0.021 0.000 0.974 74 S CB -0.194 63.128 63.200 0.204 0.000 0.800 74 S HN 0.262 nan 8.310 nan 0.000 0.484 75 V N 1.647 121.554 119.914 -0.011 0.000 2.407 75 V HA -0.153 3.967 4.120 0.001 0.000 0.248 75 V C 2.321 178.409 176.094 -0.010 0.000 1.055 75 V CA 1.690 63.982 62.300 -0.013 0.000 1.049 75 V CB -0.445 31.421 31.823 0.071 0.000 0.662 75 V HN 0.413 nan 8.190 nan 0.000 0.455 76 K N 0.122 120.528 120.400 0.010 0.000 2.097 76 K HA -0.158 4.163 4.320 0.001 0.000 0.205 76 K C 1.986 178.589 176.600 0.006 0.000 1.050 76 K CA 1.410 57.712 56.287 0.025 0.000 0.938 76 K CB -0.093 32.448 32.500 0.068 0.000 0.718 76 K HN 0.413 nan 8.250 nan 0.000 0.442 77 N N 0.642 119.341 118.700 -0.002 0.000 2.188 77 N HA -0.116 4.624 4.740 0.001 0.000 0.184 77 N C 1.274 176.779 175.510 -0.009 0.000 1.018 77 N CA 1.346 54.395 53.050 -0.001 0.000 0.858 77 N CB -0.198 38.291 38.487 0.003 0.000 0.989 77 N HN 0.250 nan 8.380 nan 0.000 0.426 78 A N -0.204 122.598 122.820 -0.030 0.000 2.251 78 A HA 0.405 4.726 4.320 0.001 0.000 0.209 78 A C 1.332 178.892 177.584 -0.039 0.000 1.187 78 A CA 0.601 52.609 52.037 -0.048 0.000 0.823 78 A CB -0.534 18.397 19.000 -0.115 0.000 0.846 78 A HN 0.286 nan 8.150 nan 0.000 0.486 79 G N -1.115 107.668 108.800 -0.029 0.000 2.221 79 G HA2 -0.237 3.723 3.960 0.001 0.000 0.265 79 G HA3 -0.237 3.723 3.960 0.001 0.000 0.265 79 G C 0.115 174.985 174.900 -0.049 0.000 1.041 79 G CA 0.835 45.919 45.100 -0.027 0.000 0.807 79 G HN 0.313 nan 8.290 nan 0.000 0.502 80 M N -1.334 118.229 119.600 -0.061 0.000 2.849 80 M HA 0.588 5.068 4.480 0.001 0.000 0.299 80 M C 0.423 176.667 176.300 -0.094 0.000 1.223 80 M CA -0.494 54.752 55.300 -0.090 0.000 0.856 80 M CB 1.549 34.099 32.600 -0.083 0.000 1.680 80 M HN -0.001 nan 8.290 nan 0.000 0.506 81 K N 1.380 121.697 120.400 -0.139 0.000 2.295 81 K HA 0.762 5.082 4.320 0.001 0.000 0.239 81 K C -0.840 175.758 176.600 -0.003 0.000 0.991 81 K CA -0.565 55.656 56.287 -0.111 0.000 0.845 81 K CB 2.436 34.763 32.500 -0.289 0.000 1.197 81 K HN 0.785 nan 8.250 nan 0.000 0.441 82 M N -0.500 119.125 119.600 0.042 0.000 2.550 82 M HA 0.576 5.057 4.480 0.001 0.000 0.292 82 M C -1.154 175.152 176.300 0.009 0.000 1.221 82 M CA -0.804 54.549 55.300 0.089 0.000 0.873 82 M CB 1.847 34.580 32.600 0.222 0.000 1.727 82 M HN 0.371 nan 8.290 nan 0.000 0.459 83 I N 3.623 124.171 120.570 -0.038 0.000 2.495 83 I HA 0.408 4.578 4.170 0.001 0.000 0.277 83 I C -2.365 173.692 176.117 -0.100 0.000 1.045 83 I CA -1.787 59.449 61.300 -0.106 0.000 1.135 83 I CB 1.810 39.706 38.000 -0.172 0.000 1.241 83 I HN 0.475 nan 8.210 nan 0.000 0.469 84 P HA 0.297 nan 4.420 nan 0.000 0.279 84 P C -0.662 176.516 177.300 -0.203 0.000 1.239 84 P CA -0.065 62.971 63.100 -0.108 0.000 0.789 84 P CB 1.526 33.381 31.700 0.259 0.000 0.933 85 I N 3.727 124.102 120.570 -0.324 0.000 2.355 85 I HA 0.320 4.490 4.170 0.001 0.000 0.288 85 I C 0.728 176.613 176.117 -0.387 0.000 0.999 85 I CA -0.881 60.239 61.300 -0.299 0.000 1.163 85 I CB 1.279 39.071 38.000 -0.346 0.000 1.316 85 I HN 0.135 nan 8.210 nan 0.000 0.454 86 I N 5.615 125.947 120.570 -0.397 0.000 2.293 86 I HA 0.049 4.220 4.170 0.001 0.000 0.299 86 I C 0.300 176.257 176.117 -0.267 0.000 1.153 86 I CA 0.247 61.296 61.300 -0.419 0.000 1.302 86 I CB -0.088 37.616 38.000 -0.493 0.000 1.460 86 I HN 0.546 nan 8.210 nan 0.000 0.552 87 S N 3.670 119.181 115.700 -0.315 0.000 2.701 87 S HA 0.056 4.526 4.470 0.001 0.000 0.317 87 S C 1.271 175.846 174.600 -0.042 0.000 1.149 87 S CA -0.517 57.509 58.200 -0.291 0.000 1.052 87 S CB -0.098 62.540 63.200 -0.937 0.000 1.257 87 S HN 0.718 nan 8.310 nan 0.000 0.532 88 T N 0.023 114.605 114.554 0.047 0.000 3.366 88 T HA 0.085 4.436 4.350 0.001 0.000 0.249 88 T C 0.421 175.375 174.700 0.423 0.000 1.028 88 T CA -0.412 61.780 62.100 0.153 0.000 0.938 88 T CB -0.560 68.066 68.868 -0.403 0.000 1.046 88 T HN 0.749 nan 8.240 nan 0.000 0.587 89 H N -1.088 118.200 119.070 0.363 0.000 2.771 89 H HA 0.526 5.082 4.556 0.001 0.000 0.367 89 H C -0.782 174.776 175.328 0.383 0.000 1.172 89 H CA -1.121 55.137 56.048 0.350 0.000 1.186 89 H CB 1.306 31.234 29.762 0.276 0.000 1.790 89 H HN 0.218 nan 8.280 nan 0.000 0.556 90 Q N 0.687 120.659 119.800 0.286 0.000 2.327 90 Q HA 0.290 4.631 4.340 0.001 0.000 0.254 90 Q C -0.959 174.977 176.000 -0.106 0.000 0.952 90 Q CA -0.538 55.298 55.803 0.054 0.000 0.884 90 Q CB 0.903 29.683 28.738 0.069 0.000 1.224 90 Q HN 0.588 nan 8.270 nan 0.000 0.422 91 c N 4.520 122.794 118.600 -0.544 0.000 2.295 91 c HA 0.728 5.299 4.570 0.001 0.000 0.331 91 c C 1.083 174.948 174.090 -0.376 0.000 1.280 91 c CA 0.867 56.745 56.329 -0.751 0.000 1.746 91 c CB -0.801 40.712 42.510 -1.663 0.000 2.328 91 c HN 1.106 nan 8.230 nan 0.000 0.521 92 G N 4.016 112.698 108.800 -0.198 0.000 2.611 92 G HA2 0.188 4.149 3.960 0.001 0.000 0.301 92 G HA3 0.188 4.149 3.960 0.001 0.000 0.301 92 G C 0.992 175.832 174.900 -0.101 0.000 1.233 92 G CA 0.825 45.850 45.100 -0.126 0.000 0.993 92 G HN 2.605 nan 8.290 nan 0.000 0.553 93 G N -1.574 107.167 108.800 -0.098 0.000 2.132 93 G HA2 -0.149 3.812 3.960 0.001 0.000 0.228 93 G HA3 -0.149 3.812 3.960 0.001 0.000 0.228 93 G C 0.140 175.006 174.900 -0.056 0.000 1.000 93 G CA 1.213 46.266 45.100 -0.078 0.000 0.693 93 G HN 1.284 nan 8.290 nan 0.000 0.515 94 N N -1.303 117.368 118.700 -0.049 0.000 3.091 94 N HA 0.532 5.272 4.740 0.001 0.000 0.329 94 N C 0.277 175.767 175.510 -0.034 0.000 1.430 94 N CA -0.462 52.567 53.050 -0.035 0.000 0.755 94 N CB 1.116 39.589 38.487 -0.024 0.000 1.626 94 N HN 0.063 nan 8.380 nan 0.000 0.614 95 V N 1.408 121.306 119.914 -0.026 0.000 2.434 95 V HA 0.165 4.286 4.120 0.001 0.000 0.281 95 V C 1.280 177.360 176.094 -0.023 0.000 1.005 95 V CA 0.692 62.978 62.300 -0.024 0.000 1.089 95 V CB -0.467 31.345 31.823 -0.018 0.000 0.978 95 V HN 0.951 nan 8.190 nan 0.000 0.474 96 G N 3.972 112.756 108.800 -0.027 0.000 2.295 96 G HA2 -0.211 3.750 3.960 0.001 0.000 0.287 96 G HA3 -0.211 3.750 3.960 0.001 0.000 0.287 96 G C -0.212 174.671 174.900 -0.027 0.000 1.055 96 G CA 0.108 45.193 45.100 -0.026 0.000 0.922 96 G HN 0.752 nan 8.290 nan 0.000 0.503 97 D N -0.844 119.534 120.400 -0.036 0.000 2.313 97 D HA 0.404 5.045 4.640 0.001 0.000 0.247 97 D C 0.948 177.220 176.300 -0.047 0.000 1.094 97 D CA -0.505 53.471 54.000 -0.040 0.000 0.925 97 D CB 0.744 41.512 40.800 -0.054 0.000 1.188 97 D HN 0.056 nan 8.370 nan 0.000 0.430 98 D N -0.584 119.792 120.400 -0.040 0.000 2.323 98 D HA 0.097 4.737 4.640 0.001 0.000 0.239 98 D C -0.625 175.632 176.300 -0.072 0.000 1.129 98 D CA 0.095 54.071 54.000 -0.040 0.000 0.865 98 D CB -0.202 40.591 40.800 -0.013 0.000 0.913 98 D HN 0.444 nan 8.370 nan 0.000 0.517 99 c N -1.777 116.758 118.600 -0.108 0.000 3.176 99 c HA 0.649 5.219 4.570 0.001 0.000 0.343 99 c C -1.361 172.607 174.090 -0.203 0.000 1.332 99 c CA -1.341 54.881 56.329 -0.178 0.000 1.200 99 c CB 0.964 43.322 42.510 -0.254 0.000 1.440 99 c HN 0.092 nan 8.230 nan 0.000 0.458 100 N N 0.305 118.855 118.700 -0.249 0.000 2.839 100 N HA 0.493 5.233 4.740 0.001 0.000 0.230 100 N C -1.613 173.737 175.510 -0.265 0.000 1.388 100 N CA -0.161 52.755 53.050 -0.224 0.000 0.747 100 N CB 1.255 39.655 38.487 -0.145 0.000 1.411 100 N HN 0.874 nan 8.380 nan 0.000 0.556 101 V N 3.604 123.285 119.914 -0.388 0.000 2.320 101 V HA 0.488 4.609 4.120 0.001 0.000 0.268 101 V C -2.168 173.764 176.094 -0.270 0.000 1.021 101 V CA -1.377 60.700 62.300 -0.371 0.000 0.813 101 V CB 1.066 32.522 31.823 -0.613 0.000 1.054 101 V HN 0.394 nan 8.190 nan 0.000 0.444 102 P HA 0.306 nan 4.420 nan 0.000 0.274 102 P C 0.288 177.541 177.300 -0.078 0.000 1.246 102 P CA -0.354 62.706 63.100 -0.066 0.000 0.795 102 P CB 0.708 32.388 31.700 -0.033 0.000 1.006 103 I N -1.803 118.734 120.570 -0.054 0.000 2.882 103 I HA 0.313 4.483 4.170 0.001 0.000 0.286 103 I C -2.266 173.549 176.117 -0.503 0.000 1.139 103 I CA -2.434 58.690 61.300 -0.294 0.000 1.379 103 I CB -0.490 37.327 38.000 -0.305 0.000 1.410 103 I HN 0.144 nan 8.210 nan 0.000 0.594 104 P HA -0.072 nan 4.420 nan 0.000 0.259 104 P C 0.662 177.474 177.300 -0.814 0.000 1.163 104 P CA 0.436 63.015 63.100 -0.868 0.000 0.760 104 P CB 0.556 31.437 31.700 -1.365 0.000 0.762 105 S N 3.927 119.419 115.700 -0.346 0.000 2.399 105 S HA -0.163 4.308 4.470 0.001 0.000 0.231 105 S C 1.646 176.199 174.600 -0.078 0.000 1.022 105 S CA 0.558 58.719 58.200 -0.065 0.000 0.983 105 S CB -1.084 62.145 63.200 0.048 0.000 0.803 105 S HN 0.699 nan 8.310 nan 0.000 0.480 106 W N 1.695 122.940 121.300 -0.091 0.000 2.465 106 W HA 0.078 4.738 4.660 0.001 0.000 0.268 106 W C 1.256 177.702 176.519 -0.122 0.000 1.242 106 W CA 0.481 57.779 57.345 -0.079 0.000 1.248 106 W CB -0.934 28.470 29.460 -0.094 0.000 1.118 106 W HN 0.158 nan 8.180 nan 0.000 0.587 107 V N 0.963 120.310 119.914 -0.944 0.000 2.407 107 V HA -0.294 3.827 4.120 0.001 0.000 0.248 107 V C 2.075 177.896 176.094 -0.455 0.000 1.055 107 V CA 2.254 64.008 62.300 -0.910 0.000 1.049 107 V CB -1.123 29.851 31.823 -1.415 0.000 0.662 107 V HN 0.203 nan 8.190 nan 0.000 0.455 108 W N 0.325 121.524 121.300 -0.169 0.000 2.468 108 W HA -0.082 4.579 4.660 0.001 0.000 0.262 108 W C 2.084 178.605 176.519 0.004 0.000 1.241 108 W CA 0.479 57.791 57.345 -0.056 0.000 1.232 108 W CB -0.515 28.909 29.460 -0.059 0.000 1.124 108 W HN 0.278 nan 8.180 nan 0.000 0.597 109 N N 0.020 118.839 118.700 0.198 0.000 2.467 109 N HA -0.086 4.654 4.740 0.001 0.000 0.184 109 N C 1.494 177.082 175.510 0.131 0.000 1.106 109 N CA 0.649 53.798 53.050 0.164 0.000 0.892 109 N CB -0.357 38.226 38.487 0.160 0.000 0.969 109 N HN 0.319 nan 8.380 nan 0.000 0.454 110 Q N 0.275 120.145 119.800 0.116 0.000 2.364 110 Q HA 0.044 4.385 4.340 0.001 0.000 0.207 110 Q C 0.028 176.062 176.000 0.057 0.000 0.970 110 Q CA 0.978 56.838 55.803 0.094 0.000 0.888 110 Q CB 0.317 29.107 28.738 0.086 0.000 0.951 110 Q HN 0.190 nan 8.270 nan 0.000 0.469 111 K N -0.199 120.238 120.400 0.062 0.000 2.426 111 K HA 0.283 4.603 4.320 0.001 0.000 0.251 111 K C 0.634 177.267 176.600 0.055 0.000 0.941 111 K CA -0.236 56.069 56.287 0.029 0.000 0.808 111 K CB 1.996 34.481 32.500 -0.024 0.000 1.265 111 K HN -0.078 nan 8.250 nan 0.000 0.432 112 S N -0.884 114.835 115.700 0.032 0.000 2.483 112 S HA -0.032 4.438 4.470 0.001 0.000 0.221 112 S C 0.577 175.203 174.600 0.043 0.000 1.030 112 S CA 0.125 58.353 58.200 0.047 0.000 0.925 112 S CB -0.246 62.978 63.200 0.039 0.000 0.795 112 S HN 0.681 nan 8.310 nan 0.000 0.511 113 D N 2.637 123.038 120.400 0.002 0.000 2.440 113 D HA 0.192 4.833 4.640 0.001 0.000 0.269 113 D C -0.196 176.066 176.300 -0.064 0.000 1.249 113 D CA -0.397 53.592 54.000 -0.017 0.000 1.055 113 D CB 0.047 40.821 40.800 -0.042 0.000 1.104 113 D HN 0.213 nan 8.370 nan 0.000 0.561 114 D N -2.095 118.221 120.400 -0.139 0.000 2.491 114 D HA 0.010 4.650 4.640 0.001 0.000 0.228 114 D C 1.013 176.965 176.300 -0.580 0.000 1.183 114 D CA -0.178 53.552 54.000 -0.450 0.000 0.827 114 D CB -0.431 40.149 40.800 -0.366 0.000 0.989 114 D HN 0.243 nan 8.370 nan 0.000 0.494 115 S N -0.152 115.263 115.700 -0.475 0.000 2.447 115 S HA -0.086 4.384 4.470 0.001 0.000 0.233 115 S C 1.774 176.119 174.600 -0.427 0.000 1.006 115 S CA 0.246 58.042 58.200 -0.675 0.000 0.957 115 S CB -0.569 61.819 63.200 -1.352 0.000 0.773 115 S HN 0.355 nan 8.310 nan 0.000 0.507 116 L N -0.083 120.980 121.223 -0.266 0.000 2.341 116 L HA 0.209 4.549 4.340 0.001 0.000 0.214 116 L C 1.137 178.095 176.870 0.145 0.000 1.115 116 L CA 0.202 55.043 54.840 0.001 0.000 0.820 116 L CB -0.440 41.779 42.059 0.267 0.000 0.944 116 L HN 0.520 nan 8.230 nan 0.000 0.452 117 Y N -2.693 117.630 120.300 0.040 0.000 2.730 117 Y HA 0.688 5.238 4.550 0.001 0.000 0.325 117 Y C -0.473 175.308 175.900 -0.199 0.000 1.132 117 Y CA -2.052 56.023 58.100 -0.043 0.000 1.206 117 Y CB 0.243 38.702 38.460 -0.001 0.000 1.390 117 Y HN -0.306 nan 8.280 nan 0.000 0.555 118 F N 0.197 120.392 119.950 0.408 0.000 2.507 118 F HA 0.633 5.161 4.527 0.001 0.000 0.327 118 F C -0.115 175.895 175.800 0.349 0.000 1.068 118 F CA -1.031 57.159 58.000 0.317 0.000 0.965 118 F CB 2.057 41.222 39.000 0.275 0.000 1.192 118 F HN 0.343 nan 8.300 nan 0.000 0.476 119 K N 1.235 121.943 120.400 0.513 0.000 2.541 119 K HA 0.436 4.756 4.320 0.001 0.000 0.250 119 K C -0.520 176.335 176.600 0.425 0.000 0.950 119 K CA -0.484 56.046 56.287 0.406 0.000 0.805 119 K CB 1.658 34.379 32.500 0.368 0.000 1.166 119 K HN 0.837 nan 8.250 nan 0.000 0.430 120 S N 2.159 118.028 115.700 0.280 0.000 2.641 120 S HA 0.109 4.579 4.470 0.001 0.000 0.261 120 S C 0.974 175.518 174.600 -0.094 0.000 1.257 120 S CA -0.182 58.140 58.200 0.204 0.000 0.983 120 S CB 0.874 64.134 63.200 0.100 0.000 0.990 120 S HN 0.709 nan 8.310 nan 0.000 0.572 121 E N 0.375 120.338 120.200 -0.395 0.000 2.118 121 E HA -0.131 4.219 4.350 0.001 0.000 0.195 121 E C 1.606 177.946 176.600 -0.432 0.000 0.992 121 E CA 1.701 57.569 56.400 -0.887 0.000 0.804 121 E CB -0.530 28.898 29.700 -0.452 0.000 0.741 121 E HN 0.909 nan 8.360 nan 0.000 0.458 122 T N -2.916 111.523 114.554 -0.191 0.000 3.188 122 T HA 0.351 4.701 4.350 0.001 0.000 0.250 122 T C 1.262 175.936 174.700 -0.043 0.000 1.077 122 T CA 0.155 62.197 62.100 -0.097 0.000 0.967 122 T CB 0.653 69.490 68.868 -0.051 0.000 1.006 122 T HN 0.280 nan 8.240 nan 0.000 0.552 123 G N 1.165 109.950 108.800 -0.024 0.000 2.136 123 G HA2 -0.239 3.722 3.960 0.001 0.000 0.242 123 G HA3 -0.239 3.722 3.960 0.001 0.000 0.242 123 G C 0.059 174.997 174.900 0.062 0.000 0.989 123 G CA -0.003 45.123 45.100 0.044 0.000 0.682 123 G HN 0.662 nan 8.290 nan 0.000 0.522 124 T N 0.939 115.529 114.554 0.061 0.000 2.761 124 T HA 0.468 4.818 4.350 0.001 0.000 0.296 124 T C 0.677 175.439 174.700 0.103 0.000 0.934 124 T CA -0.227 61.907 62.100 0.058 0.000 1.091 124 T CB 2.172 71.067 68.868 0.044 0.000 0.896 124 T HN 0.352 nan 8.240 nan 0.000 0.515 125 V N 5.205 125.156 119.914 0.063 0.000 2.498 125 V HA 0.311 4.431 4.120 0.001 0.000 0.279 125 V C 0.498 176.623 176.094 0.052 0.000 1.048 125 V CA -0.690 61.651 62.300 0.067 0.000 0.967 125 V CB 1.128 32.883 31.823 -0.114 0.000 0.988 125 V HN 0.801 nan 8.190 nan 0.000 0.473 126 N N 4.045 122.851 118.700 0.177 0.000 2.346 126 N HA 0.417 5.157 4.740 0.001 0.000 0.289 126 N C -0.548 175.123 175.510 0.269 0.000 1.027 126 N CA -0.568 52.590 53.050 0.181 0.000 0.864 126 N CB 1.953 40.554 38.487 0.190 0.000 1.370 126 N HN 0.627 nan 8.380 nan 0.000 0.481 127 K N 2.114 122.582 120.400 0.114 0.000 2.826 127 K HA 0.109 4.430 4.320 0.001 0.000 0.206 127 K C 0.328 177.127 176.600 0.332 0.000 1.116 127 K CA -0.048 56.309 56.287 0.118 0.000 1.045 127 K CB 0.647 32.836 32.500 -0.517 0.000 0.758 127 K HN 0.612 nan 8.250 nan 0.000 0.465 128 E N 0.154 120.539 120.200 0.309 0.000 2.465 128 E HA 0.022 4.372 4.350 0.001 0.000 0.191 128 E C 0.144 176.965 176.600 0.369 0.000 1.053 128 E CA 0.215 56.782 56.400 0.279 0.000 0.869 128 E CB 0.555 30.352 29.700 0.162 0.000 0.977 128 E HN -0.068 nan 8.360 nan 0.000 0.483 129 T N -0.073 114.770 114.554 0.483 0.000 2.907 129 T HA 0.267 4.617 4.350 0.001 0.000 0.344 129 T C -1.462 173.536 174.700 0.497 0.000 1.675 129 T CA -0.764 61.619 62.100 0.472 0.000 1.076 129 T CB 0.910 70.025 68.868 0.412 0.000 1.483 129 T HN 0.153 nan 8.240 nan 0.000 0.487 130 L N 3.623 125.044 121.223 0.331 0.000 2.416 130 L HA 0.356 4.697 4.340 0.001 0.000 0.272 130 L C 1.073 177.934 176.870 -0.015 0.000 1.161 130 L CA -0.676 54.245 54.840 0.135 0.000 0.845 130 L CB 0.426 42.525 42.059 0.068 0.000 1.119 130 L HN 0.614 nan 8.230 nan 0.000 0.464 131 N N 5.704 124.226 118.700 -0.297 0.000 2.468 131 N HA 0.023 4.764 4.740 0.001 0.000 0.265 131 N C -1.551 173.767 175.510 -0.319 0.000 1.199 131 N CA -1.313 51.365 53.050 -0.620 0.000 0.928 131 N CB 1.231 39.278 38.487 -0.734 0.000 1.059 131 N HN 0.345 nan 8.380 nan 0.000 0.467 132 P HA -0.121 nan 4.420 nan 0.000 0.229 132 P C 1.489 178.671 177.300 -0.197 0.000 1.150 132 P CA 0.740 63.569 63.100 -0.452 0.000 0.765 132 P CB 0.415 31.716 31.700 -0.666 0.000 0.783 133 L N -0.347 120.825 121.223 -0.085 0.000 2.109 133 L HA -0.021 4.319 4.340 0.001 0.000 0.207 133 L C 1.781 178.768 176.870 0.196 0.000 1.086 133 L CA 0.795 55.705 54.840 0.117 0.000 0.760 133 L CB -0.722 41.520 42.059 0.304 0.000 0.910 133 L HN -0.093 nan 8.230 nan 0.000 0.437 134 A N -0.160 122.678 122.820 0.031 0.000 3.051 134 A HA 0.130 4.450 4.320 0.001 0.000 0.257 134 A C 1.662 179.213 177.584 -0.055 0.000 1.785 134 A CA 0.364 52.370 52.037 -0.053 0.000 1.420 134 A CB -0.483 18.415 19.000 -0.171 0.000 1.063 134 A HN 0.446 nan 8.150 nan 0.000 0.630 135 S N 0.793 116.494 115.700 0.002 0.000 2.419 135 S HA -0.205 4.266 4.470 0.001 0.000 0.233 135 S C 1.456 176.032 174.600 -0.040 0.000 1.016 135 S CA 1.165 59.350 58.200 -0.025 0.000 0.974 135 S CB -0.296 62.915 63.200 0.018 0.000 0.786 135 S HN 0.784 nan 8.310 nan 0.000 0.492 136 D N 2.096 122.489 120.400 -0.012 0.000 2.117 136 D HA -0.085 4.555 4.640 0.001 0.000 0.198 136 D C 1.970 178.255 176.300 -0.025 0.000 0.982 136 D CA 1.053 55.047 54.000 -0.009 0.000 0.828 136 D CB -0.811 39.997 40.800 0.013 0.000 0.967 136 D HN 0.432 nan 8.370 nan 0.000 0.464 137 V N 0.963 120.852 119.914 -0.042 0.000 2.453 137 V HA -0.137 3.983 4.120 0.001 0.000 0.247 137 V C 2.771 178.830 176.094 -0.058 0.000 1.048 137 V CA 0.901 63.185 62.300 -0.025 0.000 1.049 137 V CB -0.418 31.381 31.823 -0.040 0.000 0.672 137 V HN 0.137 nan 8.190 nan 0.000 0.457 138 I N -0.027 120.442 120.570 -0.169 0.000 2.179 138 I HA -0.248 3.922 4.170 0.001 0.000 0.242 138 I C 2.764 178.679 176.117 -0.337 0.000 1.088 138 I CA 1.808 62.857 61.300 -0.419 0.000 1.357 138 I CB -0.391 37.294 38.000 -0.526 0.000 1.051 138 I HN 0.220 nan 8.210 nan 0.000 0.409 139 R N 1.479 121.867 120.500 -0.188 0.000 2.091 139 R HA -0.251 4.089 4.340 0.001 0.000 0.238 139 R C 2.327 178.588 176.300 -0.066 0.000 1.136 139 R CA 1.945 57.973 56.100 -0.120 0.000 0.959 139 R CB -0.187 30.075 30.300 -0.064 0.000 0.856 139 R HN 0.252 nan 8.270 nan 0.000 0.437 140 K N 0.088 120.475 120.400 -0.022 0.000 1.973 140 K HA -0.146 4.174 4.320 0.001 0.000 0.210 140 K C 1.831 178.477 176.600 0.077 0.000 1.045 140 K CA 1.631 57.939 56.287 0.035 0.000 0.937 140 K CB -0.018 32.520 32.500 0.063 0.000 0.721 140 K HN 0.125 nan 8.250 nan 0.000 0.438 141 E N 0.004 120.278 120.200 0.123 0.000 2.077 141 E HA -0.182 4.168 4.350 0.001 0.000 0.193 141 E C 2.143 178.781 176.600 0.064 0.000 0.989 141 E CA 1.235 57.767 56.400 0.219 0.000 0.800 141 E CB -0.355 29.573 29.700 0.379 0.000 0.746 141 E HN 0.426 nan 8.360 nan 0.000 0.452 142 Y N 0.732 120.805 120.300 -0.379 0.000 2.220 142 Y HA 0.022 4.572 4.550 0.001 0.000 0.291 142 Y C 2.591 178.035 175.900 -0.761 0.000 1.129 142 Y CA 0.861 58.506 58.100 -0.758 0.000 1.161 142 Y CB -1.088 36.873 38.460 -0.832 0.000 0.997 142 Y HN 0.083 nan 8.280 nan 0.000 0.522 143 G N -0.284 108.373 108.800 -0.237 0.000 2.440 143 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 143 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 143 G C 1.554 176.423 174.900 -0.052 0.000 1.154 143 G CA 1.024 46.036 45.100 -0.147 0.000 0.767 143 G HN 0.406 nan 8.290 nan 0.000 0.552 144 E N -0.450 119.771 120.200 0.034 0.000 2.077 144 E HA -0.082 4.268 4.350 0.001 0.000 0.193 144 E C 2.391 179.100 176.600 0.182 0.000 0.989 144 E CA 0.741 57.242 56.400 0.169 0.000 0.800 144 E CB -0.169 29.710 29.700 0.299 0.000 0.746 144 E HN 0.331 nan 8.360 nan 0.000 0.452 145 L N 0.318 121.619 121.223 0.130 0.000 2.027 145 L HA -0.174 4.166 4.340 0.001 0.000 0.206 145 L C 1.997 178.946 176.870 0.131 0.000 1.074 145 L CA 1.678 56.586 54.840 0.113 0.000 0.745 145 L CB -0.543 41.475 42.059 -0.069 0.000 0.898 145 L HN 0.232 nan 8.230 nan 0.000 0.433 146 Y N -0.955 119.289 120.300 -0.093 0.000 2.145 146 Y HA -0.270 4.280 4.550 0.001 0.000 0.286 146 Y C 2.446 178.190 175.900 -0.259 0.000 1.145 146 Y CA 1.082 59.094 58.100 -0.147 0.000 1.148 146 Y CB -0.557 37.737 38.460 -0.277 0.000 0.981 146 Y HN 0.221 nan 8.280 nan 0.000 0.507 147 T N -0.013 114.514 114.554 -0.045 0.000 2.821 147 T HA -0.163 4.187 4.350 0.001 0.000 0.267 147 T C 2.068 176.712 174.700 -0.093 0.000 1.046 147 T CA 1.071 63.114 62.100 -0.094 0.000 1.139 147 T CB -0.399 68.444 68.868 -0.043 0.000 0.871 147 T HN 0.440 nan 8.240 nan 0.000 0.454 148 A N 0.759 123.495 122.820 -0.140 0.000 1.930 148 A HA 0.053 4.373 4.320 0.001 0.000 0.217 148 A C 1.985 179.228 177.584 -0.569 0.000 1.175 148 A CA 1.003 52.850 52.037 -0.315 0.000 0.627 148 A CB -0.871 17.711 19.000 -0.697 0.000 0.815 148 A HN 0.473 nan 8.150 nan 0.000 0.443 149 F N 0.974 120.528 119.950 -0.660 0.000 2.146 149 F HA -0.026 4.501 4.527 0.001 0.000 0.298 149 F C 2.499 178.115 175.800 -0.307 0.000 1.096 149 F CA 1.065 58.608 58.000 -0.762 0.000 1.275 149 F CB -0.318 38.501 39.000 -0.301 0.000 1.008 149 F HN 0.246 nan 8.300 nan 0.000 0.480 150 A N 0.333 123.216 122.820 0.105 0.000 1.902 150 A HA -0.091 4.229 4.320 0.001 0.000 0.217 150 A C 2.402 180.068 177.584 0.137 0.000 1.181 150 A CA 1.819 54.053 52.037 0.328 0.000 0.623 150 A CB -1.539 17.654 19.000 0.323 0.000 0.818 150 A HN 0.479 nan 8.150 nan 0.000 0.443 151 A N -0.257 122.527 122.820 -0.060 0.000 1.898 151 A HA 0.194 4.514 4.320 0.001 0.000 0.216 151 A C 2.487 179.987 177.584 -0.140 0.000 1.181 151 A CA 2.015 53.997 52.037 -0.091 0.000 0.620 151 A CB -0.950 17.998 19.000 -0.087 0.000 0.819 151 A HN 1.047 nan 8.150 nan 0.000 0.442 152 A N -1.288 121.357 122.820 -0.290 0.000 1.969 152 A HA -0.008 4.312 4.320 0.001 0.000 0.218 152 A C 1.983 179.444 177.584 -0.205 0.000 1.169 152 A CA 1.724 53.590 52.037 -0.285 0.000 0.635 152 A CB -0.336 18.333 19.000 -0.551 0.000 0.810 152 A HN 0.405 nan 8.150 nan 0.000 0.445 153 M N -0.695 118.732 119.600 -0.287 0.000 2.556 153 M HA 0.094 4.574 4.480 0.001 0.000 0.245 153 M C 1.677 178.090 176.300 0.188 0.000 1.128 153 M CA 0.650 55.910 55.300 -0.067 0.000 1.069 153 M CB -0.865 31.494 32.600 -0.400 0.000 1.469 153 M HN 0.538 nan 8.290 nan 0.000 0.494 154 K N 1.695 122.127 120.400 0.054 0.000 2.059 154 K HA -0.167 4.153 4.320 0.001 0.000 0.212 154 K C -0.863 175.615 176.600 -0.203 0.000 1.050 154 K CA 1.667 57.863 56.287 -0.152 0.000 0.927 154 K CB -0.747 31.639 32.500 -0.190 0.000 0.714 154 K HN 0.175 nan 8.250 nan 0.000 0.447 155 P HA -0.139 nan 4.420 nan 0.000 0.230 155 P C -0.021 176.935 177.300 -0.573 0.000 1.158 155 P CA 1.233 64.042 63.100 -0.485 0.000 0.769 155 P CB -0.020 31.284 31.700 -0.661 0.000 0.807 156 Y N 0.322 120.607 120.300 -0.026 0.000 2.681 156 Y HA 0.220 4.770 4.550 0.001 0.000 0.267 156 Y C 2.134 178.074 175.900 0.066 0.000 1.166 156 Y CA -0.593 57.510 58.100 0.004 0.000 1.209 156 Y CB -0.309 38.147 38.460 -0.008 0.000 1.161 156 Y HN -0.038 nan 8.280 nan 0.000 0.534 157 K N 0.382 120.870 120.400 0.147 0.000 2.218 157 K HA -0.228 4.093 4.320 0.001 0.000 0.205 157 K C 0.981 177.672 176.600 0.152 0.000 1.046 157 K CA 2.039 58.447 56.287 0.202 0.000 0.933 157 K CB -0.332 32.118 32.500 -0.083 0.000 0.728 157 K HN 0.426 nan 8.250 nan 0.000 0.454 158 D N 1.844 122.296 120.400 0.087 0.000 2.264 158 D HA -0.124 4.516 4.640 0.001 0.000 0.208 158 D C 1.835 178.182 176.300 0.079 0.000 0.966 158 D CA 1.459 55.499 54.000 0.066 0.000 0.864 158 D CB -0.047 40.772 40.800 0.033 0.000 0.933 158 D HN 0.362 nan 8.370 nan 0.000 0.499 159 V N -1.816 118.162 119.914 0.107 0.000 3.621 159 V HA 0.309 4.430 4.120 0.001 0.000 0.285 159 V C 0.894 177.036 176.094 0.079 0.000 1.346 159 V CA -0.554 61.794 62.300 0.080 0.000 1.104 159 V CB -0.587 31.290 31.823 0.091 0.000 0.913 159 V HN -0.034 nan 8.190 nan 0.000 0.432 160 I N 1.614 122.247 120.570 0.106 0.000 2.304 160 I HA 0.550 4.720 4.170 0.001 0.000 0.291 160 I C 1.357 177.505 176.117 0.052 0.000 1.018 160 I CA 0.121 61.461 61.300 0.065 0.000 1.260 160 I CB 1.585 39.618 38.000 0.055 0.000 1.390 160 I HN 0.189 nan 8.210 nan 0.000 0.475 161 A N 6.373 129.206 122.820 0.022 0.000 1.997 161 A HA 0.145 4.465 4.320 0.001 0.000 0.212 161 A C 0.814 178.378 177.584 -0.035 0.000 1.178 161 A CA 0.811 52.884 52.037 0.060 0.000 0.698 161 A CB 0.319 19.425 19.000 0.177 0.000 0.842 161 A HN 0.723 nan 8.150 nan 0.000 0.458 162 K N -1.208 119.105 120.400 -0.146 0.000 2.625 162 K HA 0.571 4.891 4.320 0.001 0.000 0.284 162 K C -2.256 174.129 176.600 -0.358 0.000 0.984 162 K CA -0.678 55.454 56.287 -0.258 0.000 0.865 162 K CB 0.937 33.246 32.500 -0.319 0.000 1.468 162 K HN 0.111 nan 8.250 nan 0.000 0.407 163 I N 2.692 122.983 120.570 -0.464 0.000 2.465 163 I HA 0.359 4.529 4.170 0.001 0.000 0.291 163 I C -1.136 174.681 176.117 -0.500 0.000 1.014 163 I CA -0.838 60.141 61.300 -0.534 0.000 1.093 163 I CB 1.572 39.071 38.000 -0.835 0.000 1.267 163 I HN 0.513 nan 8.210 nan 0.000 0.431 164 Y N 5.695 125.777 120.300 -0.363 0.000 2.387 164 Y HA 0.619 5.169 4.550 0.001 0.000 0.336 164 Y C -0.209 175.508 175.900 -0.304 0.000 1.067 164 Y CA -0.649 57.286 58.100 -0.275 0.000 1.114 164 Y CB 1.665 39.991 38.460 -0.223 0.000 1.208 164 Y HN 0.274 nan 8.280 nan 0.000 0.458 165 L N 1.842 123.062 121.223 -0.005 0.000 2.330 165 L HA 0.503 4.843 4.340 0.001 0.000 0.271 165 L C -0.168 176.726 176.870 0.041 0.000 1.013 165 L CA -0.984 53.821 54.840 -0.060 0.000 0.816 165 L CB 1.880 43.908 42.059 -0.052 0.000 1.287 165 L HN 0.459 nan 8.230 nan 0.000 0.435 166 S N 0.256 115.991 115.700 0.060 0.000 2.410 166 S HA 0.381 4.851 4.470 0.001 0.000 0.304 166 S C 0.833 175.545 174.600 0.187 0.000 1.095 166 S CA -0.386 57.886 58.200 0.120 0.000 1.089 166 S CB 0.932 64.294 63.200 0.271 0.000 0.968 166 S HN 0.805 nan 8.310 nan 0.000 0.480 167 G N 2.895 111.789 108.800 0.157 0.000 3.042 167 G HA2 0.534 4.495 3.960 0.001 0.000 0.212 167 G HA3 0.534 4.495 3.960 0.001 0.000 0.212 167 G C 0.659 175.700 174.900 0.234 0.000 1.166 167 G CA 0.189 45.425 45.100 0.228 0.000 0.767 167 G HN 1.168 nan 8.290 nan 0.000 0.546 168 G N -0.311 108.577 108.800 0.147 0.000 2.367 168 G HA2 0.381 4.342 3.960 0.001 0.000 0.272 168 G HA3 0.381 4.342 3.960 0.001 0.000 0.272 168 G C -3.191 171.708 174.900 -0.001 0.000 1.271 168 G CA -0.603 44.550 45.100 0.088 0.000 0.893 168 G HN -0.014 nan 8.290 nan 0.000 0.485 169 P HA 0.347 nan 4.420 nan 0.000 0.265 169 P C 0.750 177.937 177.300 -0.189 0.000 1.193 169 P CA 1.899 64.956 63.100 -0.071 0.000 0.765 169 P CB 1.182 32.800 31.700 -0.136 0.000 0.823 170 A N 2.898 125.594 122.820 -0.207 0.000 2.945 170 A HA -0.130 4.191 4.320 0.001 0.000 0.263 170 A C 1.379 178.667 177.584 -0.494 0.000 1.293 170 A CA 1.723 53.632 52.037 -0.213 0.000 0.944 170 A CB -2.562 16.402 19.000 -0.060 0.000 1.093 170 A HN 1.251 nan 8.150 nan 0.000 0.786 171 G N -2.132 106.068 108.800 -1.000 0.000 2.136 171 G HA2 -0.144 3.816 3.960 0.001 0.000 0.242 171 G HA3 -0.144 3.816 3.960 0.001 0.000 0.242 171 G C -0.302 174.479 174.900 -0.197 0.000 0.989 171 G CA 0.985 45.710 45.100 -0.624 0.000 0.682 171 G HN 1.310 nan 8.290 nan 0.000 0.522 172 E N -1.065 119.061 120.200 -0.123 0.000 2.227 172 E HA 0.584 4.934 4.350 0.001 0.000 0.268 172 E C -0.193 176.456 176.600 0.080 0.000 0.907 172 E CA -1.203 55.213 56.400 0.026 0.000 0.786 172 E CB 2.040 31.776 29.700 0.059 0.000 1.191 172 E HN 0.175 nan 8.360 nan 0.000 0.411 173 L N 4.554 125.890 121.223 0.188 0.000 2.536 173 L HA 0.196 4.536 4.340 0.001 0.000 0.282 173 L C -0.348 176.611 176.870 0.148 0.000 1.147 173 L CA 0.855 55.808 54.840 0.189 0.000 0.936 173 L CB -0.876 41.363 42.059 0.300 0.000 1.279 173 L HN 0.588 nan 8.230 nan 0.000 0.461 174 R N 2.161 122.619 120.500 -0.070 0.000 2.789 174 R HA 0.343 4.683 4.340 0.001 0.000 0.279 174 R C -1.586 174.479 176.300 -0.391 0.000 1.010 174 R CA -1.043 54.911 56.100 -0.244 0.000 0.855 174 R CB 0.407 30.599 30.300 -0.179 0.000 1.312 174 R HN 0.155 nan 8.270 nan 0.000 0.479 175 Y N 0.509 120.608 120.300 -0.336 0.000 2.376 175 Y HA 0.398 4.948 4.550 0.001 0.000 0.325 175 Y C -1.642 173.997 175.900 -0.434 0.000 1.199 175 Y CA -2.242 55.610 58.100 -0.412 0.000 1.206 175 Y CB 1.547 39.822 38.460 -0.308 0.000 1.229 175 Y HN 0.385 nan 8.280 nan 0.000 0.480 176 P HA 0.013 nan 4.420 nan 0.000 0.226 176 P C 0.126 177.296 177.300 -0.218 0.000 1.783 176 P CA 0.186 63.060 63.100 -0.376 0.000 0.980 176 P CB -0.134 31.310 31.700 -0.427 0.000 1.967 177 S N -0.038 115.580 115.700 -0.137 0.000 2.461 177 S HA -0.082 4.388 4.470 0.001 0.000 0.228 177 S C 0.695 175.388 174.600 0.156 0.000 1.005 177 S CA 0.053 58.263 58.200 0.018 0.000 0.942 177 S CB -0.999 62.224 63.200 0.039 0.000 0.776 177 S HN 0.421 nan 8.310 nan 0.000 0.514 178 Y N 1.967 122.313 120.300 0.077 0.000 2.575 178 Y HA 0.747 5.297 4.550 0.001 0.000 0.326 178 Y C -0.298 175.659 175.900 0.095 0.000 0.979 178 Y CA -0.977 57.211 58.100 0.148 0.000 1.286 178 Y CB 0.351 39.018 38.460 0.345 0.000 1.093 178 Y HN 0.107 nan 8.280 nan 0.000 0.501 179 T N -2.012 112.619 114.554 0.129 0.000 2.903 179 T HA 0.300 4.650 4.350 0.001 0.000 0.299 179 T C 0.856 175.596 174.700 0.065 0.000 1.093 179 T CA -0.195 61.940 62.100 0.059 0.000 1.002 179 T CB 1.643 70.512 68.868 0.002 0.000 1.127 179 T HN 0.623 nan 8.240 nan 0.000 0.488 180 T N -0.328 114.253 114.554 0.045 0.000 2.777 180 T HA -0.131 4.219 4.350 0.001 0.000 0.266 180 T C 2.141 176.854 174.700 0.021 0.000 1.040 180 T CA 1.523 63.642 62.100 0.032 0.000 1.141 180 T CB -1.075 67.805 68.868 0.019 0.000 0.868 180 T HN 0.765 nan 8.240 nan 0.000 0.444 181 S N 1.641 117.349 115.700 0.013 0.000 2.419 181 S HA -0.116 4.354 4.470 0.001 0.000 0.233 181 S C 1.714 176.322 174.600 0.012 0.000 1.016 181 S CA 1.253 59.457 58.200 0.006 0.000 0.974 181 S CB -0.566 62.632 63.200 -0.004 0.000 0.786 181 S HN 0.518 nan 8.310 nan 0.000 0.492 182 D N 1.151 121.565 120.400 0.023 0.000 2.350 182 D HA 0.211 4.851 4.640 0.001 0.000 0.213 182 D C 1.284 177.604 176.300 0.033 0.000 1.031 182 D CA 0.619 54.636 54.000 0.029 0.000 0.861 182 D CB -0.335 40.488 40.800 0.039 0.000 0.926 182 D HN 0.496 nan 8.370 nan 0.000 0.520 183 G N 0.546 109.367 108.800 0.035 0.000 2.221 183 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 183 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 183 G C 0.788 175.720 174.900 0.053 0.000 1.041 183 G CA 0.951 46.072 45.100 0.035 0.000 0.807 183 G HN 0.459 nan 8.290 nan 0.000 0.502 184 T N -2.509 112.095 114.554 0.083 0.000 3.145 184 T HA 0.573 4.924 4.350 0.001 0.000 0.281 184 T C 1.347 176.167 174.700 0.199 0.000 1.003 184 T CA 0.764 62.943 62.100 0.132 0.000 0.901 184 T CB 1.016 69.971 68.868 0.145 0.000 1.112 184 T HN 1.339 nan 8.240 nan 0.000 0.535 185 G N 0.921 109.803 108.800 0.138 0.000 2.664 185 G HA2 0.342 4.303 3.960 0.001 0.000 0.242 185 G HA3 0.342 4.303 3.960 0.001 0.000 0.242 185 G C -0.416 174.486 174.900 0.004 0.000 1.225 185 G CA -0.738 44.439 45.100 0.128 0.000 0.849 185 G HN 0.516 nan 8.290 nan 0.000 0.581 186 Y N 1.770 121.851 120.300 -0.365 0.000 2.805 186 Y HA 0.226 4.776 4.550 0.001 0.000 0.337 186 Y C -0.981 174.668 175.900 -0.419 0.000 1.252 186 Y CA -0.870 56.729 58.100 -0.834 0.000 1.515 186 Y CB 1.053 38.828 38.460 -1.141 0.000 1.305 186 Y HN 0.333 nan 8.280 nan 0.000 0.600 187 P HA 0.108 nan 4.420 nan 0.000 0.254 187 P C -0.356 176.766 177.300 -0.296 0.000 1.620 187 P CA -0.104 62.243 63.100 -1.256 0.000 1.050 187 P CB 0.299 31.228 31.700 -1.286 0.000 1.539 188 S N 1.232 116.856 115.700 -0.126 0.000 2.600 188 S HA 0.240 4.710 4.470 0.001 0.000 0.265 188 S C 0.668 175.407 174.600 0.232 0.000 1.325 188 S CA -0.609 57.628 58.200 0.062 0.000 1.002 188 S CB 0.501 63.725 63.200 0.041 0.000 0.921 188 S HN 0.288 nan 8.310 nan 0.000 0.554 189 R N 1.488 122.072 120.500 0.140 0.000 2.641 189 R HA 0.548 4.888 4.340 0.001 0.000 0.269 189 R C 0.660 177.019 176.300 0.099 0.000 1.074 189 R CA -0.262 55.898 56.100 0.100 0.000 1.133 189 R CB -0.210 30.122 30.300 0.053 0.000 1.029 189 R HN 0.520 nan 8.270 nan 0.000 0.488 190 G N 1.273 110.095 108.800 0.036 0.000 2.580 190 G HA2 0.290 4.251 3.960 0.001 0.000 0.278 190 G HA3 0.290 4.251 3.960 0.001 0.000 0.278 190 G C -0.913 173.951 174.900 -0.059 0.000 1.212 190 G CA -0.925 44.194 45.100 0.030 0.000 0.939 190 G HN 0.525 nan 8.290 nan 0.000 0.513 191 K N -0.660 119.710 120.400 -0.051 0.000 2.316 191 K HA 0.381 4.701 4.320 0.001 0.000 0.251 191 K C -1.037 175.522 176.600 -0.069 0.000 0.934 191 K CA -0.521 55.745 56.287 -0.035 0.000 0.802 191 K CB 1.927 34.449 32.500 0.036 0.000 1.171 191 K HN 0.330 nan 8.250 nan 0.000 0.426 192 F N 1.775 121.776 119.950 0.084 0.000 2.518 192 F HA 0.017 4.545 4.527 0.001 0.000 0.359 192 F C 1.286 177.270 175.800 0.306 0.000 1.118 192 F CA 0.268 58.329 58.000 0.102 0.000 1.287 192 F CB 0.673 39.678 39.000 0.008 0.000 1.132 192 F HN 0.223 nan 8.300 nan 0.000 0.587 193 Q N 3.246 123.296 119.800 0.417 0.000 2.490 193 Q HA 0.388 4.729 4.340 0.001 0.000 0.397 193 Q C -0.238 176.049 176.000 0.478 0.000 0.937 193 Q CA -0.120 55.950 55.803 0.446 0.000 1.108 193 Q CB 1.211 30.146 28.738 0.328 0.000 1.336 193 Q HN 0.673 nan 8.270 nan 0.000 0.410 194 A N 0.226 123.237 122.820 0.319 0.000 2.795 194 A HA 0.369 4.689 4.320 0.001 0.000 0.282 194 A C -0.408 177.038 177.584 -0.229 0.000 0.964 194 A CA -0.291 51.836 52.037 0.151 0.000 1.045 194 A CB -0.001 19.172 19.000 0.288 0.000 1.174 194 A HN 0.292 nan 8.150 nan 0.000 0.493 195 Y N 0.611 121.049 120.300 0.230 0.000 2.607 195 Y HA 0.155 4.706 4.550 0.001 0.000 0.266 195 Y C 1.386 177.379 175.900 0.155 0.000 1.178 195 Y CA 0.184 58.380 58.100 0.160 0.000 1.226 195 Y CB 0.132 38.666 38.460 0.123 0.000 1.144 195 Y HN 0.404 nan 8.280 nan 0.000 0.528 196 T N -2.884 111.808 114.554 0.230 0.000 2.882 196 T HA 0.110 4.461 4.350 0.001 0.000 0.287 196 T C 1.170 175.961 174.700 0.153 0.000 1.014 196 T CA -0.641 61.561 62.100 0.170 0.000 1.049 196 T CB 1.454 70.369 68.868 0.078 0.000 1.001 196 T HN 0.055 nan 8.240 nan 0.000 0.525 197 E N 0.219 120.502 120.200 0.138 0.000 2.110 197 E HA -0.083 4.267 4.350 0.001 0.000 0.193 197 E C 1.489 178.183 176.600 0.157 0.000 0.988 197 E CA 0.933 57.412 56.400 0.131 0.000 0.804 197 E CB -0.440 29.331 29.700 0.119 0.000 0.745 197 E HN 0.771 nan 8.360 nan 0.000 0.458 198 F N 1.389 121.353 119.950 0.024 0.000 2.134 198 F HA -0.155 4.372 4.527 0.001 0.000 0.299 198 F C 2.226 178.085 175.800 0.100 0.000 1.097 198 F CA 1.365 59.388 58.000 0.038 0.000 1.264 198 F CB -0.296 38.697 39.000 -0.010 0.000 1.001 198 F HN -0.010 nan 8.300 nan 0.000 0.479 199 A N 0.074 123.006 122.820 0.186 0.000 1.898 199 A HA -0.176 4.144 4.320 0.001 0.000 0.216 199 A C 2.247 179.898 177.584 0.111 0.000 1.181 199 A CA 1.712 53.882 52.037 0.221 0.000 0.620 199 A CB -0.619 18.557 19.000 0.294 0.000 0.819 199 A HN 0.417 nan 8.150 nan 0.000 0.442 200 K N -0.395 120.039 120.400 0.056 0.000 2.057 200 K HA -0.122 4.199 4.320 0.001 0.000 0.207 200 K C 2.447 179.040 176.600 -0.012 0.000 1.049 200 K CA 1.458 57.756 56.287 0.019 0.000 0.931 200 K CB -0.255 32.270 32.500 0.042 0.000 0.714 200 K HN 0.435 nan 8.250 nan 0.000 0.440 201 S N 0.868 116.545 115.700 -0.039 0.000 2.368 201 S HA -0.123 4.347 4.470 0.001 0.000 0.225 201 S C 1.796 176.319 174.600 -0.129 0.000 1.030 201 S CA 1.219 59.371 58.200 -0.080 0.000 0.999 201 S CB 0.022 63.172 63.200 -0.082 0.000 0.844 201 S HN 0.151 nan 8.310 nan 0.000 0.459 202 K N 0.269 120.565 120.400 -0.174 0.000 2.057 202 K HA -0.067 4.253 4.320 0.001 0.000 0.207 202 K C 1.835 178.380 176.600 -0.090 0.000 1.049 202 K CA 1.119 57.360 56.287 -0.077 0.000 0.931 202 K CB -0.774 31.757 32.500 0.051 0.000 0.714 202 K HN 0.514 nan 8.250 nan 0.000 0.440 203 F N 2.714 122.306 119.950 -0.595 0.000 2.102 203 F HA -0.178 4.349 4.527 0.001 0.000 0.298 203 F C 2.585 178.192 175.800 -0.321 0.000 1.105 203 F CA 1.455 58.801 58.000 -1.090 0.000 1.239 203 F CB -0.388 37.856 39.000 -1.259 0.000 0.991 203 F HN -0.072 nan 8.300 nan 0.000 0.474 204 R N 0.404 120.702 120.500 -0.337 0.000 2.080 204 R HA -0.183 4.157 4.340 0.001 0.000 0.236 204 R C 2.312 178.485 176.300 -0.210 0.000 1.137 204 R CA 2.285 58.217 56.100 -0.281 0.000 0.943 204 R CB -0.638 29.586 30.300 -0.127 0.000 0.846 204 R HN 0.448 nan 8.270 nan 0.000 0.431 205 L N -0.967 120.182 121.223 -0.123 0.000 2.141 205 L HA -0.154 4.187 4.340 0.001 0.000 0.209 205 L C 2.297 179.142 176.870 -0.042 0.000 1.094 205 L CA 1.042 55.839 54.840 -0.071 0.000 0.763 205 L CB -0.516 41.524 42.059 -0.031 0.000 0.908 205 L HN 0.397 nan 8.230 nan 0.000 0.437 206 W N 0.416 121.601 121.300 -0.192 0.000 2.379 206 W HA -0.168 4.492 4.660 0.001 0.000 0.307 206 W C 2.253 178.672 176.519 -0.166 0.000 1.200 206 W CA 1.547 58.825 57.345 -0.111 0.000 1.297 206 W CB -0.217 29.218 29.460 -0.043 0.000 1.140 206 W HN -0.215 nan 8.180 nan 0.000 0.507 207 V N 1.272 121.096 119.914 -0.150 0.000 2.295 207 V HA -0.333 3.787 4.120 0.001 0.000 0.246 207 V C 2.339 178.272 176.094 -0.269 0.000 1.049 207 V CA 2.100 64.253 62.300 -0.245 0.000 1.024 207 V CB -1.151 30.529 31.823 -0.238 0.000 0.648 207 V HN 0.232 nan 8.190 nan 0.000 0.447 208 L N 0.317 121.405 121.223 -0.224 0.000 2.191 208 L HA -0.186 4.154 4.340 0.001 0.000 0.212 208 L C 2.482 179.233 176.870 -0.199 0.000 1.103 208 L CA 1.598 56.331 54.840 -0.177 0.000 0.769 208 L CB -0.709 41.264 42.059 -0.142 0.000 0.908 208 L HN 0.482 nan 8.230 nan 0.000 0.438 209 N N 1.164 119.710 118.700 -0.258 0.000 2.106 209 N HA -0.213 4.527 4.740 0.001 0.000 0.188 209 N C 1.865 177.164 175.510 -0.352 0.000 1.029 209 N CA 1.596 54.489 53.050 -0.263 0.000 0.848 209 N CB 0.139 38.477 38.487 -0.248 0.000 1.007 209 N HN 0.463 nan 8.380 nan 0.000 0.423 210 K N -0.981 119.073 120.400 -0.576 0.000 2.217 210 K HA -0.103 4.218 4.320 0.001 0.000 0.202 210 K C 1.028 177.241 176.600 -0.644 0.000 1.051 210 K CA 1.167 57.042 56.287 -0.685 0.000 0.952 210 K CB -0.252 31.642 32.500 -1.010 0.000 0.736 210 K HN 0.312 nan 8.250 nan 0.000 0.453 211 Y N -0.042 120.092 120.300 -0.276 0.000 2.481 211 Y HA 0.224 4.774 4.550 0.001 0.000 0.258 211 Y C 1.817 177.605 175.900 -0.187 0.000 1.103 211 Y CA 0.036 57.999 58.100 -0.227 0.000 1.287 211 Y CB 1.258 39.545 38.460 -0.288 0.000 1.108 211 Y HN 0.373 nan 8.280 nan 0.000 0.529 212 G N 0.506 109.266 108.800 -0.067 0.000 3.757 212 G HA2 -0.330 3.630 3.960 0.001 0.000 0.215 212 G HA3 -0.330 3.630 3.960 0.001 0.000 0.215 212 G C 0.355 175.212 174.900 -0.073 0.000 1.411 212 G CA 0.299 45.357 45.100 -0.071 0.000 0.896 212 G HN 0.546 nan 8.290 nan 0.000 0.581 213 S N -0.537 115.121 115.700 -0.071 0.000 2.627 213 S HA 0.714 5.185 4.470 0.001 0.000 0.283 213 S C 0.686 175.206 174.600 -0.134 0.000 1.127 213 S CA 0.232 58.377 58.200 -0.091 0.000 0.863 213 S CB 2.086 65.242 63.200 -0.075 0.000 1.121 213 S HN 1.308 nan 8.310 nan 0.000 0.479 214 L N 1.850 122.990 121.223 -0.138 0.000 2.187 214 L HA -0.034 4.306 4.340 0.001 0.000 0.213 214 L C 1.686 178.447 176.870 -0.183 0.000 1.100 214 L CA 1.937 56.672 54.840 -0.175 0.000 0.765 214 L CB -1.325 40.657 42.059 -0.128 0.000 0.904 214 L HN 0.841 nan 8.230 nan 0.000 0.437 215 N N -1.166 117.452 118.700 -0.137 0.000 2.244 215 N HA -0.147 4.594 4.740 0.001 0.000 0.183 215 N C 1.467 176.884 175.510 -0.156 0.000 1.016 215 N CA 1.015 53.992 53.050 -0.123 0.000 0.866 215 N CB -0.014 38.422 38.487 -0.084 0.000 0.980 215 N HN 0.352 nan 8.380 nan 0.000 0.430 216 E N 0.652 120.750 120.200 -0.171 0.000 2.112 216 E HA -0.038 4.312 4.350 0.001 0.000 0.190 216 E C 2.270 178.605 176.600 -0.442 0.000 0.979 216 E CA 0.454 56.735 56.400 -0.199 0.000 0.814 216 E CB -0.378 29.271 29.700 -0.085 0.000 0.762 216 E HN 0.165 nan 8.360 nan 0.000 0.460 217 V N 2.750 122.333 119.914 -0.553 0.000 2.255 217 V HA -0.272 3.849 4.120 0.001 0.000 0.247 217 V C 2.018 177.638 176.094 -0.790 0.000 1.051 217 V CA 1.856 63.559 62.300 -0.995 0.000 1.018 217 V CB -0.595 30.710 31.823 -0.863 0.000 0.641 217 V HN 0.215 nan 8.190 nan 0.000 0.445 218 N N -0.047 118.403 118.700 -0.418 0.000 2.223 218 N HA -0.149 4.591 4.740 0.001 0.000 0.185 218 N C 1.822 177.247 175.510 -0.142 0.000 1.016 218 N CA 1.236 54.167 53.050 -0.198 0.000 0.863 218 N CB -0.235 38.179 38.487 -0.123 0.000 0.983 218 N HN 0.546 nan 8.380 nan 0.000 0.429 219 K N 0.575 120.861 120.400 -0.191 0.000 2.025 219 K HA 0.036 4.356 4.320 0.001 0.000 0.207 219 K C 2.063 178.604 176.600 -0.099 0.000 1.049 219 K CA 1.165 57.380 56.287 -0.120 0.000 0.933 219 K CB -0.072 32.358 32.500 -0.116 0.000 0.714 219 K HN 0.093 nan 8.250 nan 0.000 0.438 220 A N 0.596 123.283 122.820 -0.222 0.000 1.873 220 A HA -0.145 4.175 4.320 0.001 0.000 0.215 220 A C 1.539 179.214 177.584 0.151 0.000 1.186 220 A CA 1.079 53.044 52.037 -0.120 0.000 0.616 220 A CB -0.653 18.076 19.000 -0.453 0.000 0.823 220 A HN 0.373 nan 8.150 nan 0.000 0.442 221 W N -0.986 120.239 121.300 -0.125 0.000 2.770 221 W HA 0.322 4.982 4.660 0.001 0.000 0.256 221 W C 1.650 178.163 176.519 -0.010 0.000 1.291 221 W CA 0.341 57.680 57.345 -0.010 0.000 1.396 221 W CB -1.095 28.381 29.460 0.027 0.000 1.114 221 W HN 0.622 nan 8.180 nan 0.000 0.637 222 G N 1.079 109.980 108.800 0.169 0.000 2.198 222 G HA2 -0.282 3.678 3.960 0.001 0.000 0.260 222 G HA3 -0.282 3.678 3.960 0.001 0.000 0.260 222 G C 0.417 175.369 174.900 0.087 0.000 1.025 222 G CA 0.736 45.890 45.100 0.090 0.000 0.769 222 G HN 0.286 nan 8.290 nan 0.000 0.507 223 T N -3.130 111.493 114.554 0.116 0.000 2.910 223 T HA 0.747 5.098 4.350 0.001 0.000 0.279 223 T C 0.403 175.125 174.700 0.036 0.000 0.989 223 T CA -0.494 61.661 62.100 0.093 0.000 0.968 223 T CB 2.064 71.041 68.868 0.182 0.000 1.135 223 T HN 0.117 nan 8.240 nan 0.000 0.562 224 K N 0.669 121.083 120.400 0.023 0.000 3.239 224 K HA 0.332 4.652 4.320 0.001 0.000 0.204 224 K C -0.600 175.999 176.600 -0.003 0.000 1.126 224 K CA -0.247 56.040 56.287 0.000 0.000 0.948 224 K CB 0.198 32.696 32.500 -0.003 0.000 0.818 224 K HN 0.495 nan 8.250 nan 0.000 0.480 225 L N 2.091 123.315 121.223 0.002 0.000 2.455 225 L HA 0.055 4.396 4.340 0.001 0.000 0.272 225 L C 1.551 178.408 176.870 -0.021 0.000 1.174 225 L CA -0.290 54.549 54.840 -0.002 0.000 0.869 225 L CB 0.126 42.191 42.059 0.011 0.000 1.130 225 L HN 0.296 nan 8.230 nan 0.000 0.474 226 I N 0.018 120.578 120.570 -0.016 0.000 2.406 226 I HA 0.012 4.182 4.170 0.001 0.000 0.249 226 I C 1.082 177.183 176.117 -0.025 0.000 1.122 226 I CA 0.532 61.820 61.300 -0.020 0.000 1.431 226 I CB -0.399 37.593 38.000 -0.014 0.000 1.087 226 I HN 0.613 nan 8.210 nan 0.000 0.424 227 S N -0.611 115.076 115.700 -0.022 0.000 2.661 227 S HA 0.517 4.987 4.470 0.001 0.000 0.285 227 S C 0.303 174.884 174.600 -0.031 0.000 1.138 227 S CA -0.657 57.527 58.200 -0.027 0.000 0.855 227 S CB 1.763 64.953 63.200 -0.017 0.000 1.136 227 S HN 0.089 nan 8.310 nan 0.000 0.484 228 E N 0.645 120.822 120.200 -0.039 0.000 2.204 228 E HA 0.107 4.457 4.350 0.001 0.000 0.194 228 E C 1.409 177.993 176.600 -0.027 0.000 0.989 228 E CA 0.878 57.248 56.400 -0.050 0.000 0.824 228 E CB -0.480 29.185 29.700 -0.058 0.000 0.756 228 E HN 0.609 nan 8.360 nan 0.000 0.477 229 L N -0.057 121.158 121.223 -0.013 0.000 2.456 229 L HA -0.019 4.321 4.340 0.001 0.000 0.224 229 L C 1.965 178.846 176.870 0.019 0.000 1.148 229 L CA 0.541 55.383 54.840 0.003 0.000 0.825 229 L CB -0.261 41.801 42.059 0.006 0.000 0.937 229 L HN 0.139 nan 8.230 nan 0.000 0.450 230 A N -0.139 122.692 122.820 0.018 0.000 2.169 230 A HA 0.106 4.426 4.320 0.001 0.000 0.212 230 A C 1.174 178.804 177.584 0.076 0.000 1.153 230 A CA 0.047 52.103 52.037 0.032 0.000 0.756 230 A CB -0.339 18.673 19.000 0.021 0.000 0.813 230 A HN 0.288 nan 8.150 nan 0.000 0.471 231 I N 1.712 122.334 120.570 0.085 0.000 2.389 231 I HA 0.199 4.369 4.170 0.001 0.000 0.295 231 I C -0.600 175.638 176.117 0.202 0.000 1.117 231 I CA 0.479 61.887 61.300 0.179 0.000 1.317 231 I CB -0.069 37.959 38.000 0.047 0.000 1.431 231 I HN 0.193 nan 8.210 nan 0.000 0.521 232 L N 8.062 129.450 121.223 0.275 0.000 2.409 232 L HA 0.623 4.963 4.340 0.001 0.000 0.255 232 L C -2.376 174.590 176.870 0.159 0.000 1.027 232 L CA -1.918 53.044 54.840 0.205 0.000 0.834 232 L CB 2.378 44.480 42.059 0.072 0.000 1.426 232 L HN 0.292 nan 8.230 nan 0.000 0.411 233 P HA 0.238 nan 4.420 nan 0.000 0.274 233 P C -2.698 174.292 177.300 -0.516 0.000 1.256 233 P CA -1.647 61.033 63.100 -0.699 0.000 0.795 233 P CB -0.496 30.696 31.700 -0.847 0.000 1.038 234 P HA 0.001 nan 4.420 nan 0.000 0.258 234 P C 0.745 177.947 177.300 -0.162 0.000 1.172 234 P CA 0.810 63.590 63.100 -0.534 0.000 0.762 234 P CB -0.223 30.893 31.700 -0.973 0.000 0.764 235 S N 0.978 116.617 115.700 -0.101 0.000 2.461 235 S HA -0.066 4.404 4.470 0.001 0.000 0.228 235 S C 0.692 175.267 174.600 -0.042 0.000 1.005 235 S CA 0.977 59.154 58.200 -0.038 0.000 0.942 235 S CB -0.190 62.986 63.200 -0.039 0.000 0.776 235 S HN 0.550 nan 8.310 nan 0.000 0.514 236 D N -0.163 120.221 120.400 -0.026 0.000 2.421 236 D HA 0.438 5.078 4.640 0.001 0.000 0.254 236 D C 0.900 177.247 176.300 0.077 0.000 1.238 236 D CA -0.326 53.683 54.000 0.015 0.000 0.919 236 D CB 0.849 41.664 40.800 0.025 0.000 1.152 236 D HN 0.042 nan 8.370 nan 0.000 0.552 237 G N 2.696 111.557 108.800 0.103 0.000 2.442 237 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 237 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 237 G C 1.137 176.215 174.900 0.297 0.000 1.141 237 G CA 0.752 46.010 45.100 0.262 0.000 0.763 237 G HN 0.562 nan 8.290 nan 0.000 0.554 238 E N -0.388 119.919 120.200 0.178 0.000 2.077 238 E HA -0.183 4.167 4.350 0.001 0.000 0.193 238 E C 2.430 179.118 176.600 0.146 0.000 0.989 238 E CA 1.007 57.494 56.400 0.145 0.000 0.800 238 E CB -0.164 29.590 29.700 0.090 0.000 0.746 238 E HN 0.448 nan 8.360 nan 0.000 0.452 239 Q N 0.047 119.927 119.800 0.132 0.000 2.119 239 Q HA -0.188 4.153 4.340 0.001 0.000 0.201 239 Q C 1.998 178.087 176.000 0.149 0.000 0.972 239 Q CA 1.264 57.132 55.803 0.108 0.000 0.847 239 Q CB -0.327 28.455 28.738 0.074 0.000 0.903 239 Q HN 0.368 nan 8.270 nan 0.000 0.433 240 F N 0.937 120.928 119.950 0.068 0.000 2.134 240 F HA -0.150 4.377 4.527 0.001 0.000 0.299 240 F C 1.981 177.923 175.800 0.236 0.000 1.097 240 F CA 1.178 59.234 58.000 0.094 0.000 1.264 240 F CB -0.192 38.800 39.000 -0.013 0.000 1.001 240 F HN 0.038 nan 8.300 nan 0.000 0.479 241 L N -0.596 120.796 121.223 0.282 0.000 2.141 241 L HA -0.221 4.120 4.340 0.001 0.000 0.209 241 L C 2.453 179.412 176.870 0.148 0.000 1.094 241 L CA 1.028 55.964 54.840 0.159 0.000 0.763 241 L CB -0.560 41.597 42.059 0.163 0.000 0.908 241 L HN 0.247 nan 8.230 nan 0.000 0.437 242 M N 0.125 119.816 119.600 0.152 0.000 2.098 242 M HA -0.126 4.355 4.480 0.001 0.000 0.262 242 M C 1.540 177.940 176.300 0.167 0.000 1.072 242 M CA 1.910 57.291 55.300 0.135 0.000 1.133 242 M CB -0.182 32.459 32.600 0.069 0.000 1.344 242 M HN 0.448 nan 8.290 nan 0.000 0.414 243 N N -1.811 116.903 118.700 0.022 0.000 2.008 243 N HA 0.050 4.790 4.740 0.001 0.000 0.228 243 N C 1.306 176.597 175.510 -0.365 0.000 1.375 243 N CA 0.728 53.649 53.050 -0.214 0.000 0.856 243 N CB -0.677 37.724 38.487 -0.144 0.000 1.096 243 N HN 0.212 nan 8.380 nan 0.000 0.489 244 G N 1.365 110.004 108.800 -0.269 0.000 2.422 244 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 244 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 244 G C 1.304 175.834 174.900 -0.617 0.000 1.146 244 G CA 1.267 46.181 45.100 -0.309 0.000 0.769 244 G HN 0.531 nan 8.290 nan 0.000 0.547 245 Y N 0.279 119.941 120.300 -1.063 0.000 2.384 245 Y HA 0.087 4.638 4.550 0.001 0.000 0.289 245 Y C 2.163 177.889 175.900 -0.291 0.000 1.152 245 Y CA 0.640 58.240 58.100 -0.833 0.000 1.258 245 Y CB -0.467 37.623 38.460 -0.616 0.000 0.979 245 Y HN 0.126 nan 8.280 nan 0.000 0.549 246 L N 0.822 121.549 121.223 -0.827 0.000 2.217 246 L HA -0.049 4.291 4.340 0.001 0.000 0.211 246 L C 1.663 178.401 176.870 -0.221 0.000 1.107 246 L CA 0.521 55.041 54.840 -0.534 0.000 0.783 246 L CB -0.630 41.061 42.059 -0.614 0.000 0.919 246 L HN 0.354 nan 8.230 nan 0.000 0.442 247 S N -0.773 114.823 115.700 -0.174 0.000 2.596 247 S HA -0.008 4.462 4.470 0.001 0.000 0.260 247 S C 0.925 175.528 174.600 0.005 0.000 1.336 247 S CA -0.516 57.651 58.200 -0.055 0.000 0.993 247 S CB 0.910 64.098 63.200 -0.020 0.000 0.923 247 S HN 0.104 nan 8.310 nan 0.000 0.567 248 M N 0.880 120.510 119.600 0.049 0.000 2.159 248 M HA -0.012 4.468 4.480 0.001 0.000 0.263 248 M C 1.688 177.998 176.300 0.018 0.000 1.063 248 M CA 1.538 56.911 55.300 0.121 0.000 1.110 248 M CB -1.231 31.510 32.600 0.235 0.000 1.374 248 M HN 0.880 nan 8.290 nan 0.000 0.411 249 Y N -0.166 119.898 120.300 -0.393 0.000 2.145 249 Y HA -0.029 4.521 4.550 0.001 0.000 0.286 249 Y C 2.048 177.838 175.900 -0.182 0.000 1.145 249 Y CA 2.063 59.645 58.100 -0.863 0.000 1.148 249 Y CB -1.045 36.817 38.460 -0.997 0.000 0.981 249 Y HN 0.235 nan 8.280 nan 0.000 0.507 250 G N 0.469 109.232 108.800 -0.063 0.000 2.440 250 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 250 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 250 G C 1.645 176.636 174.900 0.152 0.000 1.154 250 G CA 1.150 46.346 45.100 0.160 0.000 0.767 250 G HN 0.436 nan 8.290 nan 0.000 0.552 251 K N 0.217 120.677 120.400 0.100 0.000 2.057 251 K HA -0.064 4.256 4.320 0.001 0.000 0.207 251 K C 2.138 178.851 176.600 0.188 0.000 1.049 251 K CA 1.276 57.650 56.287 0.145 0.000 0.931 251 K CB -0.141 32.444 32.500 0.141 0.000 0.714 251 K HN 0.122 nan 8.250 nan 0.000 0.440 252 D N 0.208 120.752 120.400 0.240 0.000 2.097 252 D HA -0.172 4.469 4.640 0.001 0.000 0.195 252 D C 1.800 178.313 176.300 0.355 0.000 0.989 252 D CA 1.066 55.349 54.000 0.472 0.000 0.827 252 D CB -0.293 40.961 40.800 0.757 0.000 0.966 252 D HN 0.167 nan 8.370 nan 0.000 0.456 253 Y N 1.292 121.571 120.300 -0.035 0.000 2.224 253 Y HA -0.123 4.428 4.550 0.001 0.000 0.289 253 Y C 2.132 177.952 175.900 -0.133 0.000 1.146 253 Y CA 1.242 59.156 58.100 -0.311 0.000 1.182 253 Y CB -0.388 37.502 38.460 -0.950 0.000 0.983 253 Y HN -0.073 nan 8.280 nan 0.000 0.524 254 L N 0.010 121.154 121.223 -0.132 0.000 2.217 254 L HA -0.140 4.200 4.340 0.001 0.000 0.211 254 L C 2.529 179.374 176.870 -0.042 0.000 1.107 254 L CA 1.559 56.358 54.840 -0.068 0.000 0.783 254 L CB -0.464 41.689 42.059 0.157 0.000 0.919 254 L HN 0.299 nan 8.230 nan 0.000 0.442 255 E N -0.242 119.958 120.200 0.000 0.000 2.072 255 E HA -0.273 4.077 4.350 0.001 0.000 0.191 255 E C 2.081 178.598 176.600 -0.139 0.000 0.985 255 E CA 1.387 57.798 56.400 0.019 0.000 0.801 255 E CB -0.177 29.633 29.700 0.183 0.000 0.750 255 E HN 0.473 nan 8.360 nan 0.000 0.452 256 W N 0.276 121.205 121.300 -0.618 0.000 2.379 256 W HA -0.250 4.410 4.660 0.001 0.000 0.307 256 W C 1.987 178.228 176.519 -0.462 0.000 1.200 256 W CA 1.783 58.575 57.345 -0.922 0.000 1.297 256 W CB -0.772 27.982 29.460 -1.177 0.000 1.140 256 W HN 0.164 nan 8.180 nan 0.000 0.507 257 Y N 1.401 121.290 120.300 -0.684 0.000 2.128 257 Y HA -0.346 4.204 4.550 0.001 0.000 0.284 257 Y C 2.816 178.488 175.900 -0.380 0.000 1.154 257 Y CA 2.967 60.607 58.100 -0.767 0.000 1.149 257 Y CB -1.013 36.989 38.460 -0.763 0.000 0.976 257 Y HN 0.231 nan 8.280 nan 0.000 0.505 258 Q N -0.852 118.851 119.800 -0.163 0.000 2.187 258 Q HA -0.041 4.300 4.340 0.001 0.000 0.199 258 Q C 2.384 178.312 176.000 -0.120 0.000 0.957 258 Q CA 1.038 56.792 55.803 -0.083 0.000 0.857 258 Q CB -0.459 28.306 28.738 0.045 0.000 0.929 258 Q HN 0.570 nan 8.270 nan 0.000 0.453 259 G N 1.566 110.265 108.800 -0.169 0.000 2.450 259 G HA2 -0.227 3.733 3.960 0.001 0.000 0.220 259 G HA3 -0.227 3.733 3.960 0.001 0.000 0.220 259 G C 1.351 176.127 174.900 -0.207 0.000 1.130 259 G CA 0.769 45.791 45.100 -0.130 0.000 0.760 259 G HN 0.332 nan 8.290 nan 0.000 0.557 260 I N 0.813 121.146 120.570 -0.395 0.000 2.286 260 I HA -0.083 4.088 4.170 0.001 0.000 0.248 260 I C 2.778 178.752 176.117 -0.238 0.000 1.115 260 I CA 0.803 61.886 61.300 -0.362 0.000 1.392 260 I CB -1.051 36.638 38.000 -0.518 0.000 1.065 260 I HN 0.197 nan 8.210 nan 0.000 0.418 261 L N 0.167 121.244 121.223 -0.243 0.000 2.109 261 L HA -0.154 4.186 4.340 0.001 0.000 0.207 261 L C 2.478 179.320 176.870 -0.048 0.000 1.086 261 L CA 1.126 55.871 54.840 -0.159 0.000 0.760 261 L CB -0.563 41.405 42.059 -0.151 0.000 0.910 261 L HN 0.265 nan 8.230 nan 0.000 0.437 262 E N 0.206 120.379 120.200 -0.045 0.000 2.077 262 E HA -0.184 4.167 4.350 0.001 0.000 0.193 262 E C 1.861 178.432 176.600 -0.049 0.000 0.989 262 E CA 1.054 57.432 56.400 -0.036 0.000 0.800 262 E CB -0.117 29.572 29.700 -0.018 0.000 0.746 262 E HN 0.474 nan 8.360 nan 0.000 0.452 263 N N 0.391 119.071 118.700 -0.033 0.000 2.188 263 N HA -0.150 4.590 4.740 0.001 0.000 0.184 263 N C 1.748 177.257 175.510 -0.002 0.000 1.018 263 N CA 1.005 54.047 53.050 -0.015 0.000 0.858 263 N CB -0.381 38.103 38.487 -0.004 0.000 0.989 263 N HN 0.244 nan 8.380 nan 0.000 0.426 264 H N 0.764 119.762 119.070 -0.120 0.000 2.387 264 H HA 0.021 4.577 4.556 0.001 0.000 0.299 264 H C 1.599 176.857 175.328 -0.117 0.000 1.090 264 H CA 1.808 57.781 56.048 -0.125 0.000 1.332 264 H CB -0.247 29.429 29.762 -0.143 0.000 1.386 264 H HN 0.045 nan 8.280 nan 0.000 0.516 265 T N 0.422 114.885 114.554 -0.151 0.000 2.708 265 T HA -0.125 4.225 4.350 0.001 0.000 0.266 265 T C 1.876 176.441 174.700 -0.226 0.000 1.037 265 T CA 1.742 63.668 62.100 -0.291 0.000 1.146 265 T CB -0.063 68.562 68.868 -0.404 0.000 0.865 265 T HN 0.384 nan 8.240 nan 0.000 0.435 266 K N 0.402 120.716 120.400 -0.144 0.000 2.148 266 K HA 0.013 4.334 4.320 0.001 0.000 0.204 266 K C 2.154 178.716 176.600 -0.063 0.000 1.050 266 K CA 0.684 56.922 56.287 -0.083 0.000 0.942 266 K CB -0.269 32.201 32.500 -0.050 0.000 0.724 266 K HN 0.137 nan 8.250 nan 0.000 0.446 267 L N 1.895 123.066 121.223 -0.087 0.000 1.988 267 L HA -0.103 4.237 4.340 0.001 0.000 0.207 267 L C 2.031 178.854 176.870 -0.079 0.000 1.071 267 L CA 1.439 56.232 54.840 -0.079 0.000 0.744 267 L CB -0.460 41.545 42.059 -0.090 0.000 0.893 267 L HN 0.223 nan 8.230 nan 0.000 0.433 268 I N -2.877 117.599 120.570 -0.157 0.000 2.454 268 I HA -0.012 4.158 4.170 0.001 0.000 0.254 268 I C 2.185 178.348 176.117 0.077 0.000 1.156 268 I CA 1.351 62.639 61.300 -0.019 0.000 1.433 268 I CB -1.400 36.549 38.000 -0.086 0.000 1.082 268 I HN 0.248 nan 8.210 nan 0.000 0.432 269 G N 0.961 109.758 108.800 -0.004 0.000 2.394 269 G HA2 -0.225 3.735 3.960 0.001 0.000 0.215 269 G HA3 -0.225 3.735 3.960 0.001 0.000 0.215 269 G C 1.591 176.587 174.900 0.161 0.000 1.165 269 G CA 0.765 45.897 45.100 0.054 0.000 0.784 269 G HN 0.583 nan 8.290 nan 0.000 0.535 270 E N 0.161 120.425 120.200 0.107 0.000 2.051 270 E HA -0.070 4.280 4.350 0.001 0.000 0.192 270 E C 2.518 179.184 176.600 0.110 0.000 0.991 270 E CA 0.598 57.062 56.400 0.107 0.000 0.799 270 E CB -0.185 29.542 29.700 0.044 0.000 0.748 270 E HN 0.448 nan 8.360 nan 0.000 0.449 271 L N 0.449 121.733 121.223 0.101 0.000 2.046 271 L HA -0.145 4.195 4.340 0.001 0.000 0.208 271 L C 2.747 179.721 176.870 0.174 0.000 1.077 271 L CA 1.093 56.002 54.840 0.115 0.000 0.747 271 L CB -0.527 41.580 42.059 0.080 0.000 0.896 271 L HN 0.187 nan 8.230 nan 0.000 0.432 272 A N -0.810 122.143 122.820 0.221 0.000 1.877 272 A HA -0.225 4.096 4.320 0.001 0.000 0.216 272 A C 2.175 179.765 177.584 0.011 0.000 1.186 272 A CA 1.407 53.480 52.037 0.059 0.000 0.620 272 A CB -0.817 18.168 19.000 -0.025 0.000 0.822 272 A HN 0.405 nan 8.150 nan 0.000 0.443 273 H N 0.015 119.137 119.070 0.087 0.000 2.421 273 H HA -0.074 4.482 4.556 0.001 0.000 0.298 273 H C 1.842 177.189 175.328 0.033 0.000 1.087 273 H CA 1.548 57.641 56.048 0.075 0.000 1.330 273 H CB -0.113 29.679 29.762 0.049 0.000 1.388 273 H HN 0.436 nan 8.280 nan 0.000 0.526 274 N N 0.624 119.389 118.700 0.109 0.000 2.142 274 N HA -0.086 4.654 4.740 0.001 0.000 0.186 274 N C 2.068 177.554 175.510 -0.040 0.000 1.023 274 N CA 1.214 54.286 53.050 0.036 0.000 0.852 274 N CB -0.268 38.230 38.487 0.018 0.000 0.998 274 N HN 0.316 nan 8.380 nan 0.000 0.424 275 A N -0.266 122.447 122.820 -0.179 0.000 1.897 275 A HA 0.056 4.376 4.320 0.001 0.000 0.215 275 A C 1.747 179.115 177.584 -0.361 0.000 1.181 275 A CA 0.867 52.664 52.037 -0.399 0.000 0.620 275 A CB -0.529 18.020 19.000 -0.751 0.000 0.821 275 A HN 0.267 nan 8.150 nan 0.000 0.443 276 F N -0.672 119.341 119.950 0.106 0.000 2.622 276 F HA 0.075 4.602 4.527 0.001 0.000 0.288 276 F C 1.830 177.773 175.800 0.237 0.000 1.120 276 F CA 0.066 58.191 58.000 0.207 0.000 1.423 276 F CB -0.095 38.905 39.000 -0.001 0.000 1.127 276 F HN 0.051 nan 8.300 nan 0.000 0.588 277 D N 0.755 121.336 120.400 0.303 0.000 2.137 277 D HA -0.188 4.453 4.640 0.001 0.000 0.189 277 D C 2.214 178.611 176.300 0.162 0.000 0.998 277 D CA 2.334 56.477 54.000 0.237 0.000 0.839 277 D CB -0.844 40.086 40.800 0.217 0.000 0.962 277 D HN 0.087 nan 8.370 nan 0.000 0.446 278 T N 0.013 114.628 114.554 0.103 0.000 2.720 278 T HA -0.127 4.224 4.350 0.001 0.000 0.268 278 T C 1.982 176.677 174.700 -0.009 0.000 1.037 278 T CA 1.992 64.115 62.100 0.038 0.000 1.144 278 T CB -0.514 68.361 68.868 0.011 0.000 0.864 278 T HN 0.198 nan 8.240 nan 0.000 0.444 279 T N 1.183 115.720 114.554 -0.029 0.000 2.770 279 T HA 0.080 4.430 4.350 0.001 0.000 0.258 279 T C 1.537 175.999 174.700 -0.396 0.000 1.039 279 T CA 1.009 62.946 62.100 -0.272 0.000 1.143 279 T CB -0.347 68.243 68.868 -0.463 0.000 0.866 279 T HN 0.365 nan 8.240 nan 0.000 0.428 280 F N 0.711 120.698 119.950 0.061 0.000 2.437 280 F HA 0.293 4.821 4.527 0.001 0.000 0.288 280 F C 1.191 177.009 175.800 0.030 0.000 1.085 280 F CA -0.326 57.696 58.000 0.037 0.000 1.430 280 F CB -0.526 38.492 39.000 0.029 0.000 1.120 280 F HN -0.011 nan 8.300 nan 0.000 0.556 281 Q N 0.821 120.755 119.800 0.223 0.000 2.463 281 Q HA -0.142 4.198 4.340 0.001 0.000 0.299 281 Q C -0.798 175.274 176.000 0.120 0.000 1.353 281 Q CA 0.369 56.257 55.803 0.141 0.000 0.828 281 Q CB -1.898 26.891 28.738 0.084 0.000 1.157 281 Q HN 0.359 nan 8.270 nan 0.000 0.436 282 V N -4.441 115.543 119.914 0.117 0.000 3.046 282 V HA 0.844 4.965 4.120 0.001 0.000 0.316 282 V C -2.388 173.700 176.094 -0.010 0.000 1.104 282 V CA -2.564 59.761 62.300 0.042 0.000 1.006 282 V CB 1.747 33.572 31.823 0.004 0.000 1.058 282 V HN -0.082 nan 8.190 nan 0.000 0.440 283 P HA 0.476 nan 4.420 nan 0.000 0.269 283 P C -0.855 176.335 177.300 -0.183 0.000 1.209 283 P CA 0.162 63.220 63.100 -0.070 0.000 0.776 283 P CB 0.351 32.005 31.700 -0.076 0.000 0.876 284 I N 1.122 121.581 120.570 -0.186 0.000 2.509 284 I HA 0.655 4.825 4.170 0.001 0.000 0.293 284 I C 0.594 176.580 176.117 -0.218 0.000 1.020 284 I CA -0.375 60.751 61.300 -0.290 0.000 1.088 284 I CB 2.385 40.167 38.000 -0.364 0.000 1.267 284 I HN 0.374 nan 8.210 nan 0.000 0.430 285 G N 3.254 111.878 108.800 -0.293 0.000 2.680 285 G HA2 0.891 4.852 3.960 0.001 0.000 0.290 285 G HA3 0.891 4.852 3.960 0.001 0.000 0.290 285 G C -1.807 173.150 174.900 0.095 0.000 1.355 285 G CA -0.642 44.382 45.100 -0.127 0.000 0.903 285 G HN 0.815 nan 8.290 nan 0.000 0.474 286 A N -0.149 122.862 122.820 0.319 0.000 2.569 286 A HA 0.885 5.205 4.320 0.001 0.000 0.290 286 A C -0.749 177.095 177.584 0.433 0.000 1.136 286 A CA -0.787 51.479 52.037 0.383 0.000 0.710 286 A CB 1.724 20.906 19.000 0.303 0.000 1.303 286 A HN 0.594 nan 8.150 nan 0.000 0.413 287 K N 0.217 120.799 120.400 0.303 0.000 2.208 287 K HA 0.739 5.059 4.320 0.001 0.000 0.247 287 K C -1.385 175.345 176.600 0.216 0.000 0.953 287 K CA -0.355 56.049 56.287 0.195 0.000 0.837 287 K CB 2.190 34.716 32.500 0.043 0.000 1.131 287 K HN 0.544 nan 8.250 nan 0.000 0.431 288 I N 1.862 122.507 120.570 0.126 0.000 2.436 288 I HA 0.293 4.464 4.170 0.001 0.000 0.289 288 I C -0.121 175.990 176.117 -0.010 0.000 1.010 288 I CA -0.836 60.541 61.300 0.129 0.000 1.098 288 I CB 1.942 39.967 38.000 0.041 0.000 1.266 288 I HN 0.705 nan 8.210 nan 0.000 0.434 289 A N 4.084 126.995 122.820 0.151 0.000 2.332 289 A HA 0.606 4.927 4.320 0.001 0.000 0.258 289 A C 0.581 178.095 177.584 -0.118 0.000 1.087 289 A CA -0.248 51.826 52.037 0.061 0.000 0.802 289 A CB 0.360 19.542 19.000 0.303 0.000 1.042 289 A HN 0.886 nan 8.150 nan 0.000 0.489 290 G N 0.387 109.050 108.800 -0.227 0.000 2.922 290 G HA2 0.471 4.432 3.960 0.001 0.000 0.335 290 G HA3 0.471 4.432 3.960 0.001 0.000 0.335 290 G C -0.447 174.526 174.900 0.123 0.000 1.016 290 G CA -0.214 44.803 45.100 -0.138 0.000 1.306 290 G HN 0.648 nan 8.290 nan 0.000 0.465 291 V N 3.700 123.649 119.914 0.059 0.000 2.223 291 V HA 0.086 4.207 4.120 0.001 0.000 0.249 291 V C 1.149 177.091 176.094 -0.253 0.000 1.233 291 V CA -0.353 61.667 62.300 -0.466 0.000 1.131 291 V CB -0.918 30.644 31.823 -0.436 0.000 1.298 291 V HN 0.927 nan 8.190 nan 0.000 0.498 292 H N 0.957 120.064 119.070 0.061 0.000 2.551 292 H HA 0.097 4.653 4.556 0.001 0.000 0.266 292 H C 0.577 176.122 175.328 0.363 0.000 0.964 292 H CA -0.569 55.629 56.048 0.249 0.000 1.180 292 H CB -0.160 29.759 29.762 0.261 0.000 1.408 292 H HN 0.648 nan 8.280 nan 0.000 0.563 293 W N 0.688 121.992 121.300 0.008 0.000 2.251 293 W HA 0.433 5.094 4.660 0.001 0.000 0.329 293 W C -0.038 176.566 176.519 0.142 0.000 1.234 293 W CA -1.083 56.330 57.345 0.113 0.000 1.228 293 W CB 0.998 30.437 29.460 -0.035 0.000 1.135 293 W HN -0.023 nan 8.180 nan 0.000 0.576 294 Q N 0.475 120.479 119.800 0.340 0.000 2.460 294 Q HA -0.358 3.982 4.340 0.001 0.000 0.248 294 Q C 0.634 176.710 176.000 0.127 0.000 0.847 294 Q CA 1.726 57.647 55.803 0.197 0.000 1.214 294 Q CB -2.832 25.952 28.738 0.077 0.000 1.523 294 Q HN 0.953 nan 8.270 nan 0.000 0.602 295 Y N 2.452 122.825 120.300 0.122 0.000 2.097 295 Y HA -0.186 4.365 4.550 0.001 0.000 0.282 295 Y C 1.664 177.498 175.900 -0.110 0.000 1.152 295 Y CA 2.407 60.582 58.100 0.124 0.000 1.136 295 Y CB 0.095 38.693 38.460 0.230 0.000 0.975 295 Y HN 0.447 nan 8.280 nan 0.000 0.498 296 N N 0.283 119.137 118.700 0.257 0.000 2.453 296 N HA -0.014 4.726 4.740 0.001 0.000 0.270 296 N C -0.961 174.439 175.510 -0.183 0.000 1.195 296 N CA -0.110 52.983 53.050 0.073 0.000 0.902 296 N CB -0.893 37.774 38.487 0.299 0.000 1.186 296 N HN 0.263 nan 8.380 nan 0.000 0.510 297 N N 1.862 120.304 118.700 -0.430 0.000 2.483 297 N HA 0.115 4.856 4.740 0.001 0.000 0.264 297 N C -1.623 173.598 175.510 -0.481 0.000 1.197 297 N CA -1.096 51.422 53.050 -0.887 0.000 0.927 297 N CB 1.600 39.740 38.487 -0.578 0.000 1.065 297 N HN 0.003 nan 8.380 nan 0.000 0.461 298 P HA -0.077 nan 4.420 nan 0.000 0.215 298 P C 1.092 178.320 177.300 -0.120 0.000 1.157 298 P CA 1.836 64.830 63.100 -0.177 0.000 0.863 298 P CB 0.113 31.755 31.700 -0.097 0.000 0.787 299 T N -1.767 112.718 114.554 -0.115 0.000 2.894 299 T HA 0.016 4.366 4.350 0.001 0.000 0.258 299 T C 1.168 175.842 174.700 -0.044 0.000 1.043 299 T CA 0.551 62.621 62.100 -0.050 0.000 1.141 299 T CB -0.922 67.935 68.868 -0.019 0.000 0.873 299 T HN 0.166 nan 8.240 nan 0.000 0.449 300 I N 0.700 121.214 120.570 -0.093 0.000 2.692 300 I HA 0.453 4.624 4.170 0.001 0.000 0.285 300 I C -2.945 173.061 176.117 -0.185 0.000 1.191 300 I CA -3.001 58.245 61.300 -0.090 0.000 1.128 300 I CB 0.988 38.964 38.000 -0.040 0.000 1.585 300 I HN -0.156 nan 8.210 nan 0.000 0.558 301 P HA -0.046 nan 4.420 nan 0.000 0.263 301 P C -0.250 176.823 177.300 -0.378 0.000 1.195 301 P CA 0.737 63.598 63.100 -0.399 0.000 0.762 301 P CB 0.153 31.630 31.700 -0.371 0.000 0.799 302 H N 1.524 120.455 119.070 -0.231 0.000 2.839 302 H HA -0.134 4.423 4.556 0.001 0.000 0.298 302 H C 1.500 176.720 175.328 -0.180 0.000 1.224 302 H CA 0.990 56.907 56.048 -0.217 0.000 1.144 302 H CB -2.290 27.320 29.762 -0.252 0.000 1.372 302 H HN 0.716 nan 8.280 nan 0.000 0.408 303 G N -0.518 108.233 108.800 -0.081 0.000 2.653 303 G HA2 0.107 4.068 3.960 0.001 0.000 0.212 303 G HA3 0.107 4.068 3.960 0.001 0.000 0.212 303 G C 1.369 176.209 174.900 -0.100 0.000 1.138 303 G CA 0.871 45.929 45.100 -0.070 0.000 0.782 303 G HN 0.623 nan 8.290 nan 0.000 0.535 304 A N -0.216 122.500 122.820 -0.174 0.000 2.138 304 A HA 0.379 4.700 4.320 0.001 0.000 0.203 304 A C 1.844 179.247 177.584 -0.302 0.000 1.286 304 A CA 0.671 52.520 52.037 -0.312 0.000 0.929 304 A CB 0.329 18.862 19.000 -0.777 0.000 0.975 304 A HN 0.294 nan 8.150 nan 0.000 0.480 305 E N 0.676 120.761 120.200 -0.193 0.000 2.076 305 E HA -0.095 4.256 4.350 0.001 0.000 0.190 305 E C 1.727 178.276 176.600 -0.085 0.000 0.979 305 E CA 1.084 57.445 56.400 -0.064 0.000 0.807 305 E CB -0.071 29.669 29.700 0.066 0.000 0.761 305 E HN 0.494 nan 8.360 nan 0.000 0.454 306 K N 0.339 120.687 120.400 -0.087 0.000 2.002 306 K HA -0.116 4.205 4.320 0.001 0.000 0.209 306 K C -0.757 175.747 176.600 -0.161 0.000 1.048 306 K CA 1.392 57.652 56.287 -0.046 0.000 0.930 306 K CB -0.861 31.663 32.500 0.040 0.000 0.714 306 K HN 0.036 nan 8.250 nan 0.000 0.438 307 P HA -0.127 nan 4.420 nan 0.000 0.220 307 P C 0.625 177.817 177.300 -0.180 0.000 1.148 307 P CA 1.276 63.933 63.100 -0.738 0.000 0.803 307 P CB 0.087 31.394 31.700 -0.654 0.000 0.782 308 A N -1.162 121.572 122.820 -0.144 0.000 2.167 308 A HA 0.362 4.683 4.320 0.001 0.000 0.214 308 A C 1.760 179.209 177.584 -0.225 0.000 1.151 308 A CA 1.195 53.136 52.037 -0.160 0.000 0.735 308 A CB -1.086 17.762 19.000 -0.253 0.000 0.802 308 A HN 0.262 nan 8.150 nan 0.000 0.467 309 G N -2.807 105.939 108.800 -0.090 0.000 2.184 309 G HA2 -0.194 3.767 3.960 0.001 0.000 0.206 309 G HA3 -0.194 3.767 3.960 0.001 0.000 0.206 309 G C -0.247 174.638 174.900 -0.026 0.000 0.995 309 G CA 0.030 45.112 45.100 -0.029 0.000 0.651 309 G HN 0.339 nan 8.290 nan 0.000 0.511 310 Y N 1.832 122.111 120.300 -0.035 0.000 2.676 310 Y HA 0.474 5.025 4.550 0.001 0.000 0.338 310 Y C 1.077 176.754 175.900 -0.371 0.000 1.057 310 Y CA -1.231 56.701 58.100 -0.280 0.000 1.314 310 Y CB 0.246 38.502 38.460 -0.340 0.000 1.164 310 Y HN 0.285 nan 8.280 nan 0.000 0.509 311 N N 1.016 119.644 118.700 -0.121 0.000 2.571 311 N HA -0.075 4.665 4.740 0.001 0.000 0.195 311 N C -0.719 174.688 175.510 -0.172 0.000 1.040 311 N CA 0.408 53.391 53.050 -0.112 0.000 0.890 311 N CB 0.599 39.099 38.487 0.023 0.000 1.233 311 N HN 0.439 nan 8.380 nan 0.000 0.435 312 D N -0.230 120.097 120.400 -0.122 0.000 2.421 312 D HA 0.131 4.771 4.640 0.001 0.000 0.254 312 D C 0.073 176.369 176.300 -0.007 0.000 1.238 312 D CA -0.564 53.413 54.000 -0.039 0.000 0.919 312 D CB 0.284 41.116 40.800 0.054 0.000 1.152 312 D HN 0.098 nan 8.370 nan 0.000 0.552 313 Y N 1.690 122.019 120.300 0.049 0.000 2.274 313 Y HA -0.180 4.370 4.550 0.001 0.000 0.290 313 Y C 2.596 178.515 175.900 0.032 0.000 1.145 313 Y CA 1.261 59.367 58.100 0.010 0.000 1.203 313 Y CB 0.112 38.535 38.460 -0.061 0.000 0.984 313 Y HN 0.385 nan 8.280 nan 0.000 0.533 314 S N -0.933 114.890 115.700 0.205 0.000 2.368 314 S HA -0.254 4.217 4.470 0.001 0.000 0.224 314 S C 2.045 176.748 174.600 0.172 0.000 1.029 314 S CA 1.335 59.627 58.200 0.153 0.000 0.988 314 S CB -0.524 62.756 63.200 0.134 0.000 0.838 314 S HN 0.588 nan 8.310 nan 0.000 0.462 315 H N -0.092 119.033 119.070 0.092 0.000 2.389 315 H HA -0.026 4.531 4.556 0.001 0.000 0.299 315 H C 2.178 177.575 175.328 0.116 0.000 1.081 315 H CA 1.532 57.635 56.048 0.092 0.000 1.345 315 H CB -0.143 29.666 29.762 0.079 0.000 1.393 315 H HN 0.408 nan 8.280 nan 0.000 0.520 316 L N 1.027 122.350 121.223 0.167 0.000 2.027 316 L HA -0.137 4.204 4.340 0.001 0.000 0.206 316 L C 2.343 179.360 176.870 0.244 0.000 1.074 316 L CA 1.270 56.222 54.840 0.187 0.000 0.745 316 L CB -0.729 41.464 42.059 0.223 0.000 0.898 316 L HN 0.229 nan 8.230 nan 0.000 0.433 317 L N -0.681 120.646 121.223 0.174 0.000 2.191 317 L HA -0.190 4.150 4.340 0.001 0.000 0.212 317 L C 2.084 179.050 176.870 0.159 0.000 1.103 317 L CA 0.928 55.850 54.840 0.136 0.000 0.769 317 L CB -0.803 41.268 42.059 0.020 0.000 0.908 317 L HN 0.300 nan 8.230 nan 0.000 0.438 318 D N 0.329 120.780 120.400 0.085 0.000 2.178 318 D HA -0.149 4.491 4.640 0.001 0.000 0.201 318 D C 2.216 178.538 176.300 0.037 0.000 0.980 318 D CA 1.396 55.417 54.000 0.034 0.000 0.842 318 D CB 0.101 40.876 40.800 -0.042 0.000 0.948 318 D HN 0.320 nan 8.370 nan 0.000 0.472 319 A N 0.079 122.924 122.820 0.042 0.000 1.898 319 A HA -0.136 4.184 4.320 0.001 0.000 0.216 319 A C 2.010 179.613 177.584 0.032 0.000 1.181 319 A CA 0.826 52.865 52.037 0.004 0.000 0.620 319 A CB -0.885 18.099 19.000 -0.027 0.000 0.819 319 A HN 0.127 nan 8.150 nan 0.000 0.442 320 F N 0.082 120.035 119.950 0.005 0.000 2.171 320 F HA -0.101 4.426 4.527 0.001 0.000 0.300 320 F C 2.299 178.111 175.800 0.020 0.000 1.090 320 F CA 1.920 59.933 58.000 0.022 0.000 1.293 320 F CB -0.091 38.927 39.000 0.030 0.000 1.013 320 F HN 0.181 nan 8.300 nan 0.000 0.486 321 K N 0.340 120.860 120.400 0.200 0.000 2.057 321 K HA -0.148 4.172 4.320 0.001 0.000 0.206 321 K C 2.272 178.909 176.600 0.062 0.000 1.050 321 K CA 1.575 57.928 56.287 0.111 0.000 0.935 321 K CB -0.153 32.392 32.500 0.076 0.000 0.715 321 K HN 0.290 nan 8.250 nan 0.000 0.439 322 S N 0.354 116.078 115.700 0.040 0.000 2.383 322 S HA -0.080 4.390 4.470 0.001 0.000 0.227 322 S C 2.109 176.710 174.600 0.001 0.000 1.026 322 S CA 0.891 59.097 58.200 0.010 0.000 0.981 322 S CB -0.260 62.940 63.200 -0.001 0.000 0.818 322 S HN 0.366 nan 8.310 nan 0.000 0.472 323 A N 1.337 124.160 122.820 0.004 0.000 2.206 323 A HA 0.215 4.535 4.320 0.001 0.000 0.211 323 A C 0.834 178.471 177.584 0.088 0.000 1.158 323 A CA 0.307 52.352 52.037 0.013 0.000 0.761 323 A CB -0.634 18.331 19.000 -0.057 0.000 0.801 323 A HN 0.512 nan 8.150 nan 0.000 0.473 324 K N -1.188 119.261 120.400 0.081 0.000 3.239 324 K HA -0.143 4.177 4.320 0.001 0.000 0.270 324 K C -1.078 175.683 176.600 0.268 0.000 1.049 324 K CA 0.593 56.956 56.287 0.126 0.000 0.769 324 K CB -1.956 30.515 32.500 -0.049 0.000 1.305 324 K HN 0.515 nan 8.250 nan 0.000 0.469 325 L N 0.597 121.937 121.223 0.196 0.000 2.362 325 L HA 0.410 4.751 4.340 0.001 0.000 0.271 325 L C 0.225 177.234 176.870 0.233 0.000 1.002 325 L CA -1.211 53.740 54.840 0.185 0.000 0.818 325 L CB 1.676 43.820 42.059 0.141 0.000 1.298 325 L HN 0.006 nan 8.230 nan 0.000 0.420 326 D N 1.118 121.600 120.400 0.136 0.000 2.313 326 D HA 0.325 4.965 4.640 0.001 0.000 0.247 326 D C -0.485 175.897 176.300 0.137 0.000 1.094 326 D CA -0.086 53.968 54.000 0.090 0.000 0.925 326 D CB 2.492 43.296 40.800 0.007 0.000 1.188 326 D HN 0.068 nan 8.370 nan 0.000 0.430 327 V N 0.828 120.757 119.914 0.024 0.000 2.547 327 V HA 0.496 4.617 4.120 0.001 0.000 0.299 327 V C -0.612 175.510 176.094 0.047 0.000 1.040 327 V CA -0.136 62.121 62.300 -0.072 0.000 0.913 327 V CB 1.936 33.523 31.823 -0.393 0.000 0.992 327 V HN 0.542 nan 8.190 nan 0.000 0.449 328 T N 7.251 121.886 114.554 0.135 0.000 2.815 328 T HA 0.417 4.768 4.350 0.001 0.000 0.289 328 T C -0.952 173.873 174.700 0.208 0.000 1.000 328 T CA 0.001 62.236 62.100 0.224 0.000 0.958 328 T CB 0.668 69.720 68.868 0.307 0.000 0.944 328 T HN 0.490 nan 8.240 nan 0.000 0.442 329 F N 4.030 124.052 119.950 0.120 0.000 2.411 329 F HA 0.334 4.861 4.527 0.001 0.000 0.355 329 F C 1.505 177.390 175.800 0.141 0.000 1.117 329 F CA -0.954 57.106 58.000 0.100 0.000 1.139 329 F CB 1.115 40.182 39.000 0.113 0.000 1.120 329 F HN 0.543 nan 8.300 nan 0.000 0.493 330 T N 1.155 115.485 114.554 -0.374 0.000 3.332 330 T HA 0.180 4.531 4.350 0.001 0.000 0.246 330 T C 0.010 174.609 174.700 -0.169 0.000 0.943 330 T CA -0.305 61.679 62.100 -0.193 0.000 0.922 330 T CB -0.952 67.834 68.868 -0.137 0.000 1.086 330 T HN 0.558 nan 8.240 nan 0.000 0.590 331 C N 1.500 120.725 119.300 -0.125 0.000 3.355 331 C HA 0.501 4.961 4.460 0.001 0.000 0.287 331 C C 0.524 175.615 174.990 0.169 0.000 1.036 331 C CA -0.622 58.416 59.018 0.034 0.000 1.246 331 C CB -1.066 26.685 27.740 0.019 0.000 1.754 331 C HN 0.666 nan 8.230 nan 0.000 0.592 332 L N 2.203 123.511 121.223 0.143 0.000 2.515 332 L HA 0.240 4.581 4.340 0.001 0.000 0.223 332 L C 2.615 179.474 176.870 -0.018 0.000 1.079 332 L CA 1.145 56.018 54.840 0.056 0.000 0.857 332 L CB -0.074 41.980 42.059 -0.008 0.000 1.050 332 L HN 0.724 nan 8.230 nan 0.000 0.476 333 E N -0.310 119.901 120.200 0.018 0.000 2.435 333 E HA -0.062 4.288 4.350 0.001 0.000 0.195 333 E C 0.673 177.248 176.600 -0.042 0.000 1.029 333 E CA 0.334 56.724 56.400 -0.016 0.000 0.865 333 E CB -0.012 29.704 29.700 0.026 0.000 0.833 333 E HN 0.349 nan 8.360 nan 0.000 0.510 334 M N 1.139 120.706 119.600 -0.056 0.000 2.371 334 M HA 0.266 4.746 4.480 0.001 0.000 0.301 334 M C 0.324 176.574 176.300 -0.083 0.000 1.173 334 M CA -0.278 54.967 55.300 -0.091 0.000 1.020 334 M CB 1.581 34.077 32.600 -0.173 0.000 1.490 334 M HN -0.074 nan 8.290 nan 0.000 0.485 335 T N -3.076 111.429 114.554 -0.081 0.000 2.916 335 T HA 0.437 4.787 4.350 0.001 0.000 0.292 335 T C -0.863 173.802 174.700 -0.057 0.000 1.055 335 T CA -1.207 60.859 62.100 -0.057 0.000 1.009 335 T CB 1.285 70.133 68.868 -0.033 0.000 1.118 335 T HN 0.424 nan 8.240 nan 0.000 0.497 336 D N 1.415 121.790 120.400 -0.041 0.000 2.414 336 D HA 0.292 4.932 4.640 0.001 0.000 0.242 336 D C 0.647 176.946 176.300 -0.001 0.000 1.129 336 D CA -0.376 53.607 54.000 -0.028 0.000 0.885 336 D CB 1.234 42.019 40.800 -0.026 0.000 1.198 336 D HN 0.427 nan 8.370 nan 0.000 0.437 337 K N 0.439 120.851 120.400 0.020 0.000 2.363 337 K HA 0.187 4.507 4.320 0.001 0.000 0.215 337 K C 1.306 177.931 176.600 0.040 0.000 1.179 337 K CA 0.509 56.812 56.287 0.025 0.000 0.856 337 K CB -0.453 32.064 32.500 0.029 0.000 1.371 337 K HN 0.594 nan 8.250 nan 0.000 0.455 338 G N 2.833 111.675 108.800 0.071 0.000 2.179 338 G HA2 -0.265 3.696 3.960 0.001 0.000 0.257 338 G HA3 -0.265 3.696 3.960 0.001 0.000 0.257 338 G C 0.102 175.038 174.900 0.060 0.000 1.010 338 G CA 0.868 46.043 45.100 0.125 0.000 0.736 338 G HN 0.481 nan 8.290 nan 0.000 0.513 339 S N -1.270 114.378 115.700 -0.087 0.000 2.664 339 S HA 0.703 5.173 4.470 0.001 0.000 0.304 339 S C -0.118 174.154 174.600 -0.548 0.000 1.099 339 S CA -0.905 57.179 58.200 -0.195 0.000 1.003 339 S CB 2.093 65.252 63.200 -0.068 0.000 1.092 339 S HN 1.133 nan 8.310 nan 0.000 0.525 340 Y N 2.859 122.763 120.300 -0.661 0.000 2.480 340 Y HA 0.337 4.888 4.550 0.001 0.000 0.338 340 Y C -1.359 174.350 175.900 -0.317 0.000 1.220 340 Y CA -1.034 56.667 58.100 -0.664 0.000 1.430 340 Y CB 0.782 39.103 38.460 -0.231 0.000 1.311 340 Y HN 0.577 nan 8.280 nan 0.000 0.575 341 P HA 0.083 nan 4.420 nan 0.000 0.257 341 P C 0.041 177.045 177.300 -0.495 0.000 1.241 341 P CA 0.631 63.022 63.100 -1.181 0.000 0.816 341 P CB 0.561 31.513 31.700 -1.247 0.000 1.150 342 E N -0.495 119.475 120.200 -0.382 0.000 2.158 342 E HA -0.073 4.278 4.350 0.001 0.000 0.191 342 E C -0.101 176.560 176.600 0.102 0.000 0.982 342 E CA 0.280 56.587 56.400 -0.155 0.000 0.823 342 E CB -0.965 28.664 29.700 -0.118 0.000 0.766 342 E HN 0.161 nan 8.360 nan 0.000 0.468 343 Y N 0.637 120.983 120.300 0.077 0.000 3.108 343 Y HA -0.267 4.283 4.550 0.001 0.000 0.208 343 Y C 0.069 176.104 175.900 0.225 0.000 1.245 343 Y CA 0.394 58.579 58.100 0.141 0.000 1.171 343 Y CB -2.027 36.507 38.460 0.124 0.000 1.331 343 Y HN -0.084 nan 8.280 nan 0.000 0.534 344 S N 1.540 117.417 115.700 0.296 0.000 2.439 344 S HA 0.534 5.004 4.470 0.001 0.000 0.282 344 S C 0.342 175.065 174.600 0.204 0.000 1.170 344 S CA -0.674 57.755 58.200 0.382 0.000 1.054 344 S CB 0.184 63.642 63.200 0.429 0.000 0.956 344 S HN 0.319 nan 8.310 nan 0.000 0.490 345 M N 7.293 126.966 119.600 0.121 0.000 2.944 345 M HA 0.282 4.762 4.480 0.001 0.000 0.235 345 M C -2.312 173.866 176.300 -0.203 0.000 1.188 345 M CA -2.103 53.106 55.300 -0.151 0.000 0.688 345 M CB 0.403 32.724 32.600 -0.465 0.000 1.406 345 M HN 0.327 nan 8.290 nan 0.000 0.479 346 P HA -0.143 nan 4.420 nan 0.000 0.215 346 P C 1.552 178.810 177.300 -0.070 0.000 1.157 346 P CA 1.427 64.487 63.100 -0.066 0.000 0.868 346 P CB 0.321 31.870 31.700 -0.251 0.000 0.788 347 K N -0.863 119.476 120.400 -0.102 0.000 2.057 347 K HA -0.104 4.217 4.320 0.001 0.000 0.207 347 K C 1.881 178.393 176.600 -0.147 0.000 1.049 347 K CA 1.821 58.045 56.287 -0.104 0.000 0.931 347 K CB -0.611 31.846 32.500 -0.072 0.000 0.714 347 K HN 0.020 nan 8.250 nan 0.000 0.440 348 T N 2.099 116.552 114.554 -0.169 0.000 2.746 348 T HA -0.151 4.200 4.350 0.001 0.000 0.267 348 T C 1.708 176.289 174.700 -0.198 0.000 1.039 348 T CA 1.071 63.070 62.100 -0.168 0.000 1.142 348 T CB -0.144 68.608 68.868 -0.193 0.000 0.866 348 T HN 0.180 nan 8.240 nan 0.000 0.444 349 L N 0.960 122.030 121.223 -0.254 0.000 1.970 349 L HA -0.158 4.183 4.340 0.001 0.000 0.212 349 L C 2.592 179.243 176.870 -0.365 0.000 1.071 349 L CA 1.609 56.331 54.840 -0.197 0.000 0.751 349 L CB -0.536 41.508 42.059 -0.025 0.000 0.889 349 L HN 0.155 nan 8.230 nan 0.000 0.432 350 V N -0.283 119.440 119.914 -0.318 0.000 2.324 350 V HA -0.363 3.758 4.120 0.001 0.000 0.250 350 V C 2.449 178.264 176.094 -0.465 0.000 1.060 350 V CA 2.004 64.025 62.300 -0.465 0.000 1.042 350 V CB -0.730 30.997 31.823 -0.159 0.000 0.650 350 V HN 0.554 nan 8.190 nan 0.000 0.450 351 Q N -0.103 119.448 119.800 -0.415 0.000 2.084 351 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 351 Q C 2.206 178.044 176.000 -0.270 0.000 0.978 351 Q CA 1.887 57.409 55.803 -0.468 0.000 0.844 351 Q CB -0.343 28.208 28.738 -0.311 0.000 0.898 351 Q HN 0.749 nan 8.270 nan 0.000 0.426 352 N N 0.319 118.881 118.700 -0.229 0.000 2.058 352 N HA -0.156 4.584 4.740 0.001 0.000 0.191 352 N C 1.832 177.189 175.510 -0.255 0.000 1.037 352 N CA 0.936 53.884 53.050 -0.170 0.000 0.848 352 N CB -0.032 38.376 38.487 -0.131 0.000 1.021 352 N HN 0.144 nan 8.380 nan 0.000 0.422 353 I N 1.726 122.023 120.570 -0.456 0.000 2.163 353 I HA -0.223 3.947 4.170 0.001 0.000 0.243 353 I C 2.620 178.517 176.117 -0.366 0.000 1.085 353 I CA 0.952 61.938 61.300 -0.524 0.000 1.347 353 I CB -1.663 35.779 38.000 -0.930 0.000 1.044 353 I HN 0.096 nan 8.210 nan 0.000 0.408 354 A N 0.453 123.066 122.820 -0.345 0.000 1.883 354 A HA -0.221 4.099 4.320 0.001 0.000 0.217 354 A C 2.450 179.980 177.584 -0.091 0.000 1.186 354 A CA 2.588 54.486 52.037 -0.232 0.000 0.624 354 A CB -1.163 17.772 19.000 -0.109 0.000 0.822 354 A HN 0.437 nan 8.150 nan 0.000 0.444 355 T N 0.532 115.067 114.554 -0.032 0.000 2.684 355 T HA -0.127 4.223 4.350 0.001 0.000 0.267 355 T C 1.839 176.531 174.700 -0.014 0.000 1.036 355 T CA 1.587 63.706 62.100 0.030 0.000 1.148 355 T CB -0.437 68.463 68.868 0.052 0.000 0.863 355 T HN 0.373 nan 8.240 nan 0.000 0.436 356 L N 0.717 121.908 121.223 -0.053 0.000 2.017 356 L HA -0.112 4.228 4.340 0.001 0.000 0.208 356 L C 3.100 179.938 176.870 -0.054 0.000 1.073 356 L CA 1.349 56.165 54.840 -0.040 0.000 0.745 356 L CB -0.767 41.264 42.059 -0.047 0.000 0.894 356 L HN 0.247 nan 8.230 nan 0.000 0.432 357 A N 0.200 122.955 122.820 -0.108 0.000 1.908 357 A HA -0.237 4.083 4.320 0.001 0.000 0.218 357 A C 2.087 179.625 177.584 -0.077 0.000 1.181 357 A CA 2.079 54.046 52.037 -0.117 0.000 0.627 357 A CB -0.641 18.240 19.000 -0.198 0.000 0.818 357 A HN 0.469 nan 8.150 nan 0.000 0.445 358 N N -0.174 118.486 118.700 -0.068 0.000 2.188 358 N HA -0.128 4.612 4.740 0.001 0.000 0.184 358 N C 1.653 177.158 175.510 -0.008 0.000 1.018 358 N CA 1.526 54.556 53.050 -0.033 0.000 0.858 358 N CB -0.372 38.109 38.487 -0.010 0.000 0.989 358 N HN 0.684 nan 8.380 nan 0.000 0.426 359 E N 0.907 121.107 120.200 0.000 0.000 2.077 359 E HA -0.104 4.246 4.350 0.001 0.000 0.193 359 E C 1.483 178.091 176.600 0.012 0.000 0.989 359 E CA 0.957 57.365 56.400 0.013 0.000 0.800 359 E CB 0.008 29.720 29.700 0.021 0.000 0.746 359 E HN 0.355 nan 8.360 nan 0.000 0.452 360 K N -0.471 119.933 120.400 0.006 0.000 2.418 360 K HA 0.058 4.378 4.320 0.001 0.000 0.195 360 K C 0.886 177.491 176.600 0.008 0.000 1.035 360 K CA 0.500 56.794 56.287 0.012 0.000 1.003 360 K CB 0.487 32.995 32.500 0.014 0.000 0.793 360 K HN 0.224 nan 8.250 nan 0.000 0.494 361 G N 2.194 110.993 108.800 -0.001 0.000 2.212 361 G HA2 -0.241 3.719 3.960 0.001 0.000 0.255 361 G HA3 -0.241 3.719 3.960 0.001 0.000 0.255 361 G C -0.117 174.782 174.900 -0.002 0.000 1.062 361 G CA -0.283 44.817 45.100 -0.001 0.000 0.815 361 G HN 0.223 nan 8.290 nan 0.000 0.497 362 I N 0.587 121.147 120.570 -0.017 0.000 2.331 362 I HA 0.278 4.449 4.170 0.001 0.000 0.292 362 I C 1.057 177.149 176.117 -0.043 0.000 0.998 362 I CA -1.090 60.200 61.300 -0.017 0.000 1.267 362 I CB 1.646 39.626 38.000 -0.034 0.000 1.386 362 I HN -0.112 nan 8.210 nan 0.000 0.476 363 V N 7.206 127.108 119.914 -0.020 0.000 2.540 363 V HA -0.052 4.068 4.120 0.001 0.000 0.297 363 V C 0.095 176.154 176.094 -0.059 0.000 1.024 363 V CA 0.177 62.461 62.300 -0.026 0.000 1.105 363 V CB 0.922 32.747 31.823 0.004 0.000 0.938 363 V HN 0.357 nan 8.190 nan 0.000 0.482 364 L N 6.679 127.832 121.223 -0.116 0.000 2.307 364 L HA 0.585 4.926 4.340 0.001 0.000 0.284 364 L C -0.280 176.533 176.870 -0.095 0.000 1.023 364 L CA 0.160 54.864 54.840 -0.228 0.000 0.810 364 L CB 1.569 43.304 42.059 -0.540 0.000 1.231 364 L HN 0.714 nan 8.230 nan 0.000 0.423 365 N N 2.281 121.036 118.700 0.093 0.000 2.265 365 N HA 0.854 5.595 4.740 0.001 0.000 0.300 365 N C -0.709 175.173 175.510 0.621 0.000 1.148 365 N CA -0.588 52.695 53.050 0.389 0.000 0.772 365 N CB 2.031 40.713 38.487 0.324 0.000 1.434 365 N HN 0.755 nan 8.380 nan 0.000 0.481 366 G N -0.523 108.707 108.800 0.717 0.000 2.600 366 G HA2 0.694 4.655 3.960 0.001 0.000 0.303 366 G HA3 0.694 4.655 3.960 0.001 0.000 0.303 366 G C -1.405 173.682 174.900 0.311 0.000 1.253 366 G CA -0.247 45.197 45.100 0.572 0.000 0.974 366 G HN 0.511 nan 8.290 nan 0.000 0.483 367 E N -0.700 119.647 120.200 0.245 0.000 2.390 367 E HA 0.174 4.525 4.350 0.001 0.000 0.280 367 E C -1.012 175.706 176.600 0.197 0.000 0.992 367 E CA -0.876 55.534 56.400 0.017 0.000 0.790 367 E CB 1.709 31.387 29.700 -0.037 0.000 1.248 367 E HN 0.654 nan 8.360 nan 0.000 0.447 368 N N 1.774 120.599 118.700 0.208 0.000 2.518 368 N HA 0.228 4.968 4.740 0.001 0.000 0.283 368 N C 0.211 175.783 175.510 0.104 0.000 1.119 368 N CA 0.269 53.461 53.050 0.236 0.000 0.983 368 N CB 1.751 40.435 38.487 0.329 0.000 1.139 368 N HN 0.462 nan 8.380 nan 0.000 0.465 369 A N 2.392 125.260 122.820 0.080 0.000 1.898 369 A HA 0.164 4.485 4.320 0.001 0.000 0.214 369 A C 0.996 178.604 177.584 0.040 0.000 1.183 369 A CA 0.619 52.687 52.037 0.052 0.000 0.622 369 A CB -0.114 18.923 19.000 0.063 0.000 0.824 369 A HN 0.666 nan 8.150 nan 0.000 0.444 370 L N -0.995 120.250 121.223 0.037 0.000 2.323 370 L HA 0.386 4.726 4.340 0.001 0.000 0.265 370 L C -0.208 176.688 176.870 0.043 0.000 1.012 370 L CA -0.893 53.960 54.840 0.022 0.000 0.820 370 L CB 2.024 44.075 42.059 -0.013 0.000 1.334 370 L HN -0.046 nan 8.230 nan 0.000 0.427 371 S N 1.473 117.196 115.700 0.039 0.000 2.546 371 S HA 0.274 4.744 4.470 0.001 0.000 0.290 371 S C -0.107 174.513 174.600 0.033 0.000 1.290 371 S CA -0.149 58.083 58.200 0.054 0.000 1.069 371 S CB -0.086 63.144 63.200 0.050 0.000 0.846 371 S HN 0.241 nan 8.310 nan 0.000 0.495 372 I N 2.598 123.195 120.570 0.044 0.000 2.331 372 I HA 0.343 4.514 4.170 0.001 0.000 0.292 372 I C 1.248 177.311 176.117 -0.089 0.000 0.998 372 I CA -0.144 61.124 61.300 -0.053 0.000 1.267 372 I CB 1.296 39.234 38.000 -0.103 0.000 1.386 372 I HN 0.822 nan 8.210 nan 0.000 0.476 373 G N 4.355 113.090 108.800 -0.109 0.000 3.274 373 G HA2 0.028 3.988 3.960 0.001 0.000 0.250 373 G HA3 0.028 3.988 3.960 0.001 0.000 0.250 373 G C 0.077 174.909 174.900 -0.113 0.000 1.024 373 G CA -0.029 45.027 45.100 -0.074 0.000 0.840 373 G HN 0.501 nan 8.290 nan 0.000 0.522 374 N N 0.480 119.065 118.700 -0.192 0.000 2.284 374 N HA 0.156 4.896 4.740 0.001 0.000 0.300 374 N C 0.771 176.113 175.510 -0.279 0.000 1.047 374 N CA -0.624 52.325 53.050 -0.168 0.000 0.821 374 N CB 2.377 40.801 38.487 -0.105 0.000 1.337 374 N HN 0.046 nan 8.380 nan 0.000 0.482 375 E N 1.911 122.018 120.200 -0.154 0.000 2.160 375 E HA -0.209 4.142 4.350 0.001 0.000 0.195 375 E C 0.267 176.839 176.600 -0.047 0.000 0.991 375 E CA 1.203 57.563 56.400 -0.066 0.000 0.810 375 E CB 0.271 30.000 29.700 0.049 0.000 0.742 375 E HN 0.550 nan 8.360 nan 0.000 0.466 376 E N 0.643 120.808 120.200 -0.058 0.000 2.118 376 E HA -0.209 4.141 4.350 0.001 0.000 0.195 376 E C 1.902 178.472 176.600 -0.050 0.000 0.992 376 E CA 1.168 57.547 56.400 -0.036 0.000 0.804 376 E CB -0.128 29.553 29.700 -0.032 0.000 0.741 376 E HN 0.392 nan 8.360 nan 0.000 0.458 377 E N -0.325 119.811 120.200 -0.107 0.000 2.106 377 E HA -0.145 4.205 4.350 0.001 0.000 0.192 377 E C 1.857 178.437 176.600 -0.033 0.000 0.984 377 E CA 0.660 57.003 56.400 -0.094 0.000 0.806 377 E CB -0.222 29.398 29.700 -0.133 0.000 0.750 377 E HN 0.264 nan 8.360 nan 0.000 0.458 378 Y N 1.113 121.387 120.300 -0.044 0.000 2.224 378 Y HA -0.148 4.402 4.550 0.001 0.000 0.289 378 Y C 1.877 177.680 175.900 -0.161 0.000 1.146 378 Y CA 0.885 58.925 58.100 -0.100 0.000 1.182 378 Y CB -0.337 38.092 38.460 -0.052 0.000 0.983 378 Y HN -0.024 nan 8.280 nan 0.000 0.524 379 K N -0.181 120.252 120.400 0.055 0.000 2.097 379 K HA -0.160 4.160 4.320 0.001 0.000 0.206 379 K C 2.192 178.758 176.600 -0.057 0.000 1.049 379 K CA 1.323 57.605 56.287 -0.008 0.000 0.933 379 K CB -0.160 32.345 32.500 0.009 0.000 0.717 379 K HN 0.286 nan 8.250 nan 0.000 0.442 380 R N 0.397 120.861 120.500 -0.061 0.000 2.075 380 R HA -0.068 4.273 4.340 0.001 0.000 0.232 380 R C 2.306 178.509 176.300 -0.162 0.000 1.126 380 R CA 1.022 57.074 56.100 -0.081 0.000 0.963 380 R CB -0.376 29.886 30.300 -0.062 0.000 0.858 380 R HN -0.015 nan 8.270 nan 0.000 0.435 381 V N 1.201 120.985 119.914 -0.218 0.000 2.343 381 V HA -0.246 3.874 4.120 0.001 0.000 0.247 381 V C 2.458 178.214 176.094 -0.565 0.000 1.051 381 V CA 1.975 64.028 62.300 -0.412 0.000 1.036 381 V CB -0.730 30.744 31.823 -0.582 0.000 0.654 381 V HN 0.403 nan 8.190 nan 0.000 0.451 382 A N -0.445 122.087 122.820 -0.481 0.000 1.902 382 A HA -0.278 4.042 4.320 0.001 0.000 0.217 382 A C 2.319 179.647 177.584 -0.426 0.000 1.181 382 A CA 1.990 53.682 52.037 -0.575 0.000 0.623 382 A CB -0.509 18.387 19.000 -0.175 0.000 0.818 382 A HN 0.622 nan 8.150 nan 0.000 0.443 383 E N -0.939 119.122 120.200 -0.233 0.000 2.051 383 E HA -0.212 4.138 4.350 0.001 0.000 0.192 383 E C 1.972 178.466 176.600 -0.176 0.000 0.991 383 E CA 1.523 57.827 56.400 -0.160 0.000 0.799 383 E CB -0.165 29.503 29.700 -0.053 0.000 0.748 383 E HN 0.467 nan 8.360 nan 0.000 0.449 384 M N 0.421 119.906 119.600 -0.192 0.000 2.077 384 M HA -0.063 4.418 4.480 0.001 0.000 0.261 384 M C 2.485 178.668 176.300 -0.196 0.000 1.070 384 M CA 1.481 56.716 55.300 -0.108 0.000 1.125 384 M CB -1.357 31.076 32.600 -0.277 0.000 1.339 384 M HN 0.196 nan 8.290 nan 0.000 0.409 385 A N -0.279 122.185 122.820 -0.594 0.000 1.877 385 A HA -0.140 4.180 4.320 0.001 0.000 0.216 385 A C 2.021 179.392 177.584 -0.354 0.000 1.186 385 A CA 1.506 53.161 52.037 -0.637 0.000 0.620 385 A CB -1.121 17.298 19.000 -0.970 0.000 0.822 385 A HN 0.478 nan 8.150 nan 0.000 0.443 386 F N -0.666 119.147 119.950 -0.227 0.000 2.710 386 F HA 0.048 4.575 4.527 0.001 0.000 0.298 386 F C 1.960 177.624 175.800 -0.226 0.000 1.137 386 F CA 0.227 58.078 58.000 -0.248 0.000 1.444 386 F CB 0.126 38.930 39.000 -0.327 0.000 1.111 386 F HN 0.221 nan 8.300 nan 0.000 0.580 387 N N -1.423 117.196 118.700 -0.136 0.000 2.227 387 N HA 0.023 4.764 4.740 0.001 0.000 0.196 387 N C 0.127 175.385 175.510 -0.419 0.000 1.142 387 N CA 0.432 53.244 53.050 -0.397 0.000 0.887 387 N CB 0.328 38.220 38.487 -0.991 0.000 1.022 387 N HN 0.287 nan 8.380 nan 0.000 0.500 388 Y N 0.713 121.037 120.300 0.040 0.000 2.681 388 Y HA 0.220 4.770 4.550 0.001 0.000 0.267 388 Y C 0.381 176.366 175.900 0.142 0.000 1.166 388 Y CA -0.513 57.669 58.100 0.137 0.000 1.209 388 Y CB -0.015 38.582 38.460 0.229 0.000 1.161 388 Y HN -0.094 nan 8.280 nan 0.000 0.534 389 N N 0.043 118.865 118.700 0.203 0.000 2.747 389 N HA -0.251 4.490 4.740 0.001 0.000 0.249 389 N C -0.965 174.644 175.510 0.166 0.000 1.107 389 N CA 0.229 53.365 53.050 0.144 0.000 0.707 389 N CB -1.680 36.841 38.487 0.056 0.000 1.054 389 N HN 0.194 nan 8.380 nan 0.000 0.555 390 F N 0.034 120.048 119.950 0.106 0.000 2.538 390 F HA 0.309 4.836 4.527 0.001 0.000 0.371 390 F C 1.805 177.728 175.800 0.205 0.000 1.087 390 F CA 0.464 58.549 58.000 0.142 0.000 1.250 390 F CB 0.567 39.654 39.000 0.145 0.000 1.110 390 F HN 0.214 nan 8.300 nan 0.000 0.570 391 A N 2.933 125.921 122.820 0.279 0.000 2.119 391 A HA 0.456 4.777 4.320 0.001 0.000 0.216 391 A C 1.061 178.765 177.584 0.199 0.000 1.152 391 A CA 1.056 53.221 52.037 0.213 0.000 0.708 391 A CB -0.604 18.465 19.000 0.114 0.000 0.805 391 A HN 0.883 nan 8.150 nan 0.000 0.460 392 G N -2.247 106.731 108.800 0.297 0.000 2.547 392 G HA2 0.459 4.419 3.960 0.001 0.000 0.291 392 G HA3 0.459 4.419 3.960 0.001 0.000 0.291 392 G C -1.657 173.443 174.900 0.334 0.000 1.471 392 G CA -0.477 44.690 45.100 0.111 0.000 0.798 392 G HN 0.482 nan 8.290 nan 0.000 0.504 393 F N 0.961 120.918 119.950 0.011 0.000 2.561 393 F HA 0.743 5.271 4.527 0.001 0.000 0.313 393 F C -0.464 175.458 175.800 0.204 0.000 1.126 393 F CA -0.551 57.543 58.000 0.156 0.000 0.918 393 F CB 2.505 41.602 39.000 0.161 0.000 1.199 393 F HN 0.454 nan 8.300 nan 0.000 0.444 394 T N 7.215 121.376 114.554 -0.655 0.000 2.779 394 T HA 0.441 4.792 4.350 0.001 0.000 0.280 394 T C -1.107 173.108 174.700 -0.808 0.000 0.987 394 T CA -0.401 61.465 62.100 -0.389 0.000 0.966 394 T CB 1.173 69.995 68.868 -0.076 0.000 0.933 394 T HN 0.574 nan 8.240 nan 0.000 0.442 395 L N 4.917 125.941 121.223 -0.331 0.000 2.260 395 L HA 0.558 4.898 4.340 0.001 0.000 0.289 395 L C -0.668 176.163 176.870 -0.066 0.000 1.057 395 L CA -0.498 54.279 54.840 -0.106 0.000 0.811 395 L CB 0.445 42.595 42.059 0.151 0.000 1.184 395 L HN 0.634 nan 8.230 nan 0.000 0.429 396 L N 6.679 127.895 121.223 -0.012 0.000 2.265 396 L HA 0.614 4.954 4.340 0.001 0.000 0.289 396 L C -0.442 176.466 176.870 0.064 0.000 1.033 396 L CA -0.253 54.593 54.840 0.010 0.000 0.814 396 L CB 0.426 42.487 42.059 0.004 0.000 1.203 396 L HN 0.857 nan 8.230 nan 0.000 0.423 397 R N 2.688 123.222 120.500 0.058 0.000 2.817 397 R HA 0.161 4.501 4.340 0.001 0.000 0.268 397 R C 0.248 176.581 176.300 0.056 0.000 1.027 397 R CA -0.574 55.555 56.100 0.048 0.000 0.928 397 R CB 1.011 31.354 30.300 0.071 0.000 1.228 397 R HN 0.582 nan 8.270 nan 0.000 0.469 398 Y N 1.657 121.899 120.300 -0.097 0.000 1.931 398 Y HA -0.492 4.059 4.550 0.001 0.000 0.240 398 Y C 2.346 178.147 175.900 -0.164 0.000 1.189 398 Y CA 3.049 61.064 58.100 -0.142 0.000 1.059 398 Y CB -0.025 38.400 38.460 -0.058 0.000 0.880 398 Y HN 0.658 nan 8.280 nan 0.000 0.507 399 Q N -0.355 119.579 119.800 0.223 0.000 2.197 399 Q HA -0.238 4.103 4.340 0.001 0.000 0.207 399 Q C 1.569 177.586 176.000 0.028 0.000 0.984 399 Q CA 1.895 57.761 55.803 0.106 0.000 0.869 399 Q CB -0.852 28.153 28.738 0.444 0.000 0.906 399 Q HN 0.586 nan 8.270 nan 0.000 0.426 400 D N 1.297 121.728 120.400 0.053 0.000 2.123 400 D HA -0.127 4.513 4.640 0.001 0.000 0.196 400 D C 2.137 178.466 176.300 0.048 0.000 0.992 400 D CA 2.175 56.218 54.000 0.073 0.000 0.833 400 D CB 0.004 40.856 40.800 0.087 0.000 0.954 400 D HN 0.439 nan 8.370 nan 0.000 0.455 401 V N -2.528 117.359 119.914 -0.044 0.000 3.263 401 V HA 0.136 4.256 4.120 0.001 0.000 0.248 401 V C 2.056 178.086 176.094 -0.106 0.000 1.145 401 V CA 0.151 62.438 62.300 -0.022 0.000 1.107 401 V CB -0.153 31.656 31.823 -0.023 0.000 0.797 401 V HN -0.096 nan 8.190 nan 0.000 0.467 402 M N 1.009 120.375 119.600 -0.390 0.000 2.279 402 M HA 0.045 4.526 4.480 0.001 0.000 0.264 402 M C 1.410 177.438 176.300 -0.452 0.000 1.062 402 M CA 1.784 56.735 55.300 -0.582 0.000 1.099 402 M CB -0.721 31.134 32.600 -1.240 0.000 1.394 402 M HN 0.571 nan 8.290 nan 0.000 0.426 403 Y N -1.870 118.458 120.300 0.047 0.000 2.681 403 Y HA 0.384 4.934 4.550 0.001 0.000 0.267 403 Y C 0.318 176.261 175.900 0.070 0.000 1.166 403 Y CA -0.836 57.297 58.100 0.054 0.000 1.209 403 Y CB 0.183 38.674 38.460 0.050 0.000 1.161 403 Y HN 0.060 nan 8.280 nan 0.000 0.534 404 N N 0.823 119.625 118.700 0.170 0.000 2.653 404 N HA 0.095 4.835 4.740 0.001 0.000 0.261 404 N C -0.340 175.278 175.510 0.181 0.000 1.216 404 N CA 0.008 53.154 53.050 0.160 0.000 0.784 404 N CB 0.394 38.967 38.487 0.144 0.000 1.327 404 N HN 0.129 nan 8.380 nan 0.000 0.539 405 N N 0.273 119.086 118.700 0.189 0.000 2.137 405 N HA -0.119 4.622 4.740 0.001 0.000 0.190 405 N C 1.333 176.968 175.510 0.208 0.000 1.017 405 N CA 1.503 54.696 53.050 0.239 0.000 0.859 405 N CB 0.205 38.809 38.487 0.194 0.000 1.002 405 N HN 0.397 nan 8.380 nan 0.000 0.428 406 S N 0.194 115.991 115.700 0.162 0.000 2.356 406 S HA -0.060 4.410 4.470 0.001 0.000 0.223 406 S C 1.757 176.465 174.600 0.180 0.000 1.032 406 S CA 0.585 58.873 58.200 0.146 0.000 1.005 406 S CB -0.351 62.917 63.200 0.115 0.000 0.867 406 S HN 0.162 nan 8.310 nan 0.000 0.449 407 L N 1.089 122.433 121.223 0.202 0.000 2.046 407 L HA 0.032 4.372 4.340 0.001 0.000 0.208 407 L C 2.309 179.380 176.870 0.335 0.000 1.077 407 L CA 1.577 56.593 54.840 0.294 0.000 0.747 407 L CB -0.796 41.414 42.059 0.253 0.000 0.896 407 L HN 0.284 nan 8.230 nan 0.000 0.432 408 M N -0.794 118.949 119.600 0.239 0.000 2.117 408 M HA -0.072 4.408 4.480 0.001 0.000 0.262 408 M C 2.063 178.450 176.300 0.144 0.000 1.065 408 M CA 2.021 57.432 55.300 0.184 0.000 1.114 408 M CB -1.153 31.553 32.600 0.177 0.000 1.361 408 M HN 0.183 nan 8.290 nan 0.000 0.408 409 G N -0.021 108.867 108.800 0.146 0.000 2.402 409 G HA2 -0.178 3.783 3.960 0.001 0.000 0.216 409 G HA3 -0.178 3.783 3.960 0.001 0.000 0.216 409 G C 1.565 176.505 174.900 0.066 0.000 1.162 409 G CA 0.682 45.837 45.100 0.092 0.000 0.777 409 G HN 0.382 nan 8.290 nan 0.000 0.539 410 K N 0.072 120.549 120.400 0.129 0.000 2.097 410 K HA 0.004 4.324 4.320 0.001 0.000 0.205 410 K C 2.049 178.625 176.600 -0.040 0.000 1.050 410 K CA 0.493 56.855 56.287 0.124 0.000 0.938 410 K CB -0.602 32.076 32.500 0.297 0.000 0.718 410 K HN 0.428 nan 8.250 nan 0.000 0.442 411 F N 2.638 122.436 119.950 -0.254 0.000 2.084 411 F HA -0.174 4.353 4.527 0.001 0.000 0.296 411 F C 2.507 178.081 175.800 -0.377 0.000 1.111 411 F CA 1.642 59.283 58.000 -0.598 0.000 1.224 411 F CB -0.098 38.579 39.000 -0.538 0.000 0.991 411 F HN -0.083 nan 8.300 nan 0.000 0.471 412 K N 0.167 120.486 120.400 -0.136 0.000 2.020 412 K HA -0.297 4.023 4.320 0.001 0.000 0.212 412 K C 1.983 178.428 176.600 -0.258 0.000 1.050 412 K CA 2.226 58.395 56.287 -0.195 0.000 0.929 412 K CB -0.630 31.799 32.500 -0.118 0.000 0.714 412 K HN 0.373 nan 8.250 nan 0.000 0.443 413 D N 0.256 120.543 120.400 -0.189 0.000 2.087 413 D HA -0.166 4.474 4.640 0.001 0.000 0.192 413 D C 2.035 178.203 176.300 -0.220 0.000 0.993 413 D CA 1.567 55.470 54.000 -0.162 0.000 0.828 413 D CB -0.093 40.654 40.800 -0.088 0.000 0.968 413 D HN 0.277 nan 8.370 nan 0.000 0.448 414 L N -0.814 120.251 121.223 -0.263 0.000 2.068 414 L HA 0.018 4.358 4.340 0.001 0.000 0.204 414 L C 2.248 178.927 176.870 -0.319 0.000 1.076 414 L CA 0.687 55.375 54.840 -0.253 0.000 0.753 414 L CB -0.076 41.869 42.059 -0.189 0.000 0.910 414 L HN 0.130 nan 8.230 nan 0.000 0.439 415 L N -1.771 119.052 121.223 -0.667 0.000 2.717 415 L HA 0.246 4.587 4.340 0.001 0.000 0.239 415 L C 1.584 178.079 176.870 -0.624 0.000 1.086 415 L CA 0.046 54.462 54.840 -0.707 0.000 0.897 415 L CB 0.021 41.388 42.059 -1.152 0.000 1.214 415 L HN 0.125 nan 8.230 nan 0.000 0.508 416 G N 1.775 110.092 108.800 -0.805 0.000 3.574 416 G HA2 0.340 4.300 3.960 0.001 0.000 0.262 416 G HA3 0.340 4.300 3.960 0.001 0.000 0.262 416 G C 0.188 174.970 174.900 -0.196 0.000 1.231 416 G CA 0.011 44.870 45.100 -0.403 0.000 1.608 416 G HN 0.043 nan 8.290 nan 0.000 0.628 417 V N -2.538 117.319 119.914 -0.095 0.000 2.834 417 V HA 0.786 4.906 4.120 0.001 0.000 0.313 417 V C -0.035 176.055 176.094 -0.007 0.000 1.060 417 V CA -0.775 61.464 62.300 -0.102 0.000 0.989 417 V CB 1.812 33.493 31.823 -0.236 0.000 1.041 417 V HN -0.006 nan 8.190 nan 0.000 0.459 418 T N 5.137 119.650 114.554 -0.068 0.000 2.770 418 T HA 0.464 4.814 4.350 0.001 0.000 0.297 418 T C -2.613 172.038 174.700 -0.082 0.000 0.997 418 T CA -0.852 61.222 62.100 -0.043 0.000 0.949 418 T CB 1.231 70.067 68.868 -0.054 0.000 0.941 418 T HN 0.802 nan 8.240 nan 0.000 0.457 419 P HA 0.264 nan 4.420 nan 0.000 0.271 419 P C -0.755 176.491 177.300 -0.090 0.000 1.216 419 P CA -0.282 62.763 63.100 -0.092 0.000 0.771 419 P CB 1.152 32.833 31.700 -0.033 0.000 0.864 420 V N 4.872 124.715 119.914 -0.119 0.000 2.760 420 V HA 0.464 4.584 4.120 0.001 0.000 0.309 420 V C -0.479 175.557 176.094 -0.096 0.000 1.077 420 V CA -1.241 60.995 62.300 -0.106 0.000 0.910 420 V CB 2.188 33.930 31.823 -0.136 0.000 1.008 420 V HN 0.498 nan 8.190 nan 0.000 0.424 421 M N 6.435 125.997 119.600 -0.063 0.000 2.162 421 M HA 0.500 4.980 4.480 0.001 0.000 0.356 421 M C -0.511 175.776 176.300 -0.021 0.000 1.303 421 M CA 0.826 56.103 55.300 -0.038 0.000 1.116 421 M CB 0.499 33.086 32.600 -0.022 0.000 1.632 421 M HN 0.709 nan 8.290 nan 0.000 0.469 422 Q N 2.895 122.700 119.800 0.009 0.000 2.495 422 Q HA 0.539 4.879 4.340 0.001 0.000 0.287 422 Q C -1.199 174.868 176.000 0.112 0.000 1.078 422 Q CA -0.621 55.237 55.803 0.093 0.000 0.793 422 Q CB 2.378 31.210 28.738 0.157 0.000 1.459 422 Q HN 0.675 nan 8.270 nan 0.000 0.422 423 T N 1.696 116.346 114.554 0.159 0.000 2.772 423 T HA 0.501 4.851 4.350 0.001 0.000 0.288 423 T C 0.046 174.809 174.700 0.104 0.000 0.994 423 T CA -0.477 61.686 62.100 0.105 0.000 0.951 423 T CB 0.444 69.361 68.868 0.081 0.000 0.933 423 T HN 0.247 nan 8.240 nan 0.000 0.447 424 I N 4.076 124.680 120.570 0.057 0.000 2.331 424 I HA 0.434 4.605 4.170 0.001 0.000 0.292 424 I C -0.100 176.068 176.117 0.086 0.000 0.998 424 I CA -0.779 60.541 61.300 0.034 0.000 1.267 424 I CB 1.261 39.217 38.000 -0.073 0.000 1.386 424 I HN 0.310 nan 8.210 nan 0.000 0.476 425 V N 7.124 127.111 119.914 0.122 0.000 2.531 425 V HA 0.496 4.616 4.120 0.001 0.000 0.301 425 V C -0.130 176.076 176.094 0.187 0.000 1.034 425 V CA -0.707 61.674 62.300 0.136 0.000 0.865 425 V CB 2.525 34.403 31.823 0.092 0.000 0.995 425 V HN 0.432 nan 8.190 nan 0.000 0.424 426 V N 5.071 125.122 119.914 0.228 0.000 2.444 426 V HA 0.551 4.671 4.120 0.001 0.000 0.294 426 V C -0.127 176.133 176.094 0.276 0.000 1.022 426 V CA -0.913 61.548 62.300 0.268 0.000 0.850 426 V CB 1.848 33.864 31.823 0.321 0.000 0.992 426 V HN 0.751 nan 8.190 nan 0.000 0.426 427 K N 2.922 123.462 120.400 0.233 0.000 2.139 427 K HA 0.498 4.819 4.320 0.001 0.000 0.243 427 K C 0.377 177.116 176.600 0.231 0.000 0.983 427 K CA -0.654 55.756 56.287 0.205 0.000 0.890 427 K CB 0.786 33.369 32.500 0.139 0.000 1.090 427 K HN 0.678 nan 8.250 nan 0.000 0.445 428 N N -1.223 117.583 118.700 0.178 0.000 2.741 428 N HA -0.154 4.587 4.740 0.001 0.000 0.251 428 N C -0.579 174.950 175.510 0.030 0.000 1.112 428 N CA 0.559 53.690 53.050 0.135 0.000 0.750 428 N CB -1.956 36.638 38.487 0.178 0.000 1.119 428 N HN 0.267 nan 8.380 nan 0.000 0.561 429 V N 2.110 122.011 119.914 -0.023 0.000 2.421 429 V HA 0.125 4.245 4.120 0.001 0.000 0.271 429 V C -1.220 174.581 176.094 -0.489 0.000 1.031 429 V CA -0.751 61.262 62.300 -0.479 0.000 1.032 429 V CB 0.679 32.240 31.823 -0.435 0.000 1.009 429 V HN 0.082 nan 8.190 nan 0.000 0.477 430 P HA 0.116 nan 4.420 nan 0.000 0.237 430 P C 0.174 177.248 177.300 -0.376 0.000 1.788 430 P CA -0.136 62.714 63.100 -0.417 0.000 1.061 430 P CB -0.391 31.088 31.700 -0.369 0.000 1.967 431 T N -0.529 113.849 114.554 -0.293 0.000 2.913 431 T HA 0.471 4.821 4.350 0.001 0.000 0.287 431 T C 0.358 174.980 174.700 -0.130 0.000 1.008 431 T CA -0.365 61.595 62.100 -0.234 0.000 1.067 431 T CB 0.984 69.748 68.868 -0.173 0.000 0.996 431 T HN 0.054 nan 8.240 nan 0.000 0.513 432 T N 1.365 115.855 114.554 -0.108 0.000 2.942 432 T HA 0.527 4.878 4.350 0.001 0.000 0.289 432 T C 0.168 174.842 174.700 -0.044 0.000 1.044 432 T CA -0.793 61.266 62.100 -0.068 0.000 1.023 432 T CB 0.651 69.483 68.868 -0.060 0.000 1.123 432 T HN 0.595 nan 8.240 nan 0.000 0.512 433 I N 2.074 122.626 120.570 -0.031 0.000 2.752 433 I HA 0.351 4.522 4.170 0.001 0.000 0.286 433 I C 1.457 177.571 176.117 -0.005 0.000 1.180 433 I CA 0.664 61.955 61.300 -0.015 0.000 1.404 433 I CB -0.890 37.102 38.000 -0.014 0.000 1.389 433 I HN 0.983 nan 8.210 nan 0.000 0.549 434 G N 3.181 111.989 108.800 0.013 0.000 2.184 434 G HA2 -0.195 3.765 3.960 0.001 0.000 0.206 434 G HA3 -0.195 3.765 3.960 0.001 0.000 0.206 434 G C -0.219 174.685 174.900 0.006 0.000 0.995 434 G CA -0.531 44.580 45.100 0.018 0.000 0.651 434 G HN 0.556 nan 8.290 nan 0.000 0.511 435 D N 1.866 122.254 120.400 -0.019 0.000 2.249 435 D HA 0.554 5.194 4.640 0.001 0.000 0.246 435 D C 0.757 176.972 176.300 -0.142 0.000 1.114 435 D CA 0.732 54.677 54.000 -0.092 0.000 0.854 435 D CB 1.398 42.099 40.800 -0.167 0.000 1.132 435 D HN 0.366 nan 8.370 nan 0.000 0.461 436 T N -1.350 113.109 114.554 -0.157 0.000 2.859 436 T HA 0.605 4.956 4.350 0.001 0.000 0.281 436 T C 0.017 174.425 174.700 -0.486 0.000 1.005 436 T CA -0.870 61.084 62.100 -0.244 0.000 1.025 436 T CB 1.385 70.249 68.868 -0.007 0.000 0.977 436 T HN -0.016 nan 8.240 nan 0.000 0.458 437 V N 3.054 122.453 119.914 -0.859 0.000 2.435 437 V HA 0.537 4.657 4.120 0.001 0.000 0.290 437 V C -1.093 174.568 176.094 -0.721 0.000 1.030 437 V CA -0.674 61.148 62.300 -0.797 0.000 0.881 437 V CB 0.594 31.760 31.823 -1.095 0.000 0.983 437 V HN 0.886 nan 8.190 nan 0.000 0.445 438 Y N 4.231 124.065 120.300 -0.777 0.000 2.662 438 Y HA 0.792 5.343 4.550 0.001 0.000 0.335 438 Y C 0.088 175.650 175.900 -0.563 0.000 1.066 438 Y CA -1.098 56.553 58.100 -0.749 0.000 1.116 438 Y CB 2.029 39.813 38.460 -1.127 0.000 1.308 438 Y HN 0.627 nan 8.280 nan 0.000 0.502 439 I N -1.348 119.198 120.570 -0.040 0.000 2.769 439 I HA 0.870 5.041 4.170 0.001 0.000 0.298 439 I C -0.988 175.301 176.117 0.287 0.000 1.128 439 I CA -0.568 60.839 61.300 0.178 0.000 1.031 439 I CB 2.563 40.636 38.000 0.121 0.000 1.235 439 I HN 0.521 nan 8.210 nan 0.000 0.423 440 T N 2.538 117.327 114.554 0.391 0.000 2.900 440 T HA 0.870 5.221 4.350 0.001 0.000 0.303 440 T C -0.565 174.071 174.700 -0.108 0.000 1.142 440 T CA -0.125 62.111 62.100 0.227 0.000 1.007 440 T CB 1.818 70.941 68.868 0.425 0.000 1.156 440 T HN 1.227 nan 8.240 nan 0.000 0.490 441 G N 1.697 110.175 108.800 -0.536 0.000 2.827 441 G HA2 0.399 4.360 3.960 0.001 0.000 0.296 441 G HA3 0.399 4.360 3.960 0.001 0.000 0.296 441 G C 0.560 174.602 174.900 -1.430 0.000 1.362 441 G CA -0.128 44.311 45.100 -1.102 0.000 0.809 441 G HN 0.672 nan 8.290 nan 0.000 0.522 442 N N -0.278 117.820 118.700 -1.003 0.000 2.106 442 N HA -0.060 4.681 4.740 0.001 0.000 0.188 442 N C 0.851 176.220 175.510 -0.235 0.000 1.029 442 N CA 0.673 53.436 53.050 -0.479 0.000 0.848 442 N CB -0.284 38.237 38.487 0.057 0.000 1.007 442 N HN 0.452 nan 8.380 nan 0.000 0.423 443 R N -0.195 120.185 120.500 -0.200 0.000 2.679 443 R HA 0.359 4.699 4.340 0.001 0.000 0.269 443 R C 1.325 177.536 176.300 -0.149 0.000 1.076 443 R CA 0.228 56.239 56.100 -0.149 0.000 1.160 443 R CB 0.347 30.544 30.300 -0.172 0.000 1.054 443 R HN 0.288 nan 8.270 nan 0.000 0.507 444 A N 2.070 124.837 122.820 -0.089 0.000 2.024 444 A HA -0.204 4.116 4.320 0.001 0.000 0.220 444 A C 1.604 179.139 177.584 -0.082 0.000 1.164 444 A CA 1.625 53.639 52.037 -0.038 0.000 0.643 444 A CB -0.295 18.753 19.000 0.080 0.000 0.806 444 A HN 0.789 nan 8.150 nan 0.000 0.451 445 E N -0.500 119.570 120.200 -0.217 0.000 2.338 445 E HA 0.014 4.364 4.350 0.001 0.000 0.197 445 E C 1.253 177.722 176.600 -0.218 0.000 1.007 445 E CA 0.608 56.818 56.400 -0.318 0.000 0.849 445 E CB -0.118 29.259 29.700 -0.538 0.000 0.774 445 E HN 0.637 nan 8.360 nan 0.000 0.506 446 L N -1.244 119.861 121.223 -0.197 0.000 2.728 446 L HA 0.315 4.655 4.340 0.001 0.000 0.238 446 L C 1.021 177.825 176.870 -0.109 0.000 1.143 446 L CA 0.163 54.899 54.840 -0.173 0.000 0.937 446 L CB 0.496 42.413 42.059 -0.237 0.000 1.225 446 L HN 0.297 nan 8.230 nan 0.000 0.507 447 G N -0.783 107.970 108.800 -0.078 0.000 2.141 447 G HA2 -0.304 3.656 3.960 0.001 0.000 0.242 447 G HA3 -0.304 3.656 3.960 0.001 0.000 0.242 447 G C 0.560 175.514 174.900 0.091 0.000 0.982 447 G CA 0.131 45.261 45.100 0.051 0.000 0.662 447 G HN 0.211 nan 8.290 nan 0.000 0.527 448 S N -1.739 113.930 115.700 -0.051 0.000 3.491 448 S HA -0.294 4.176 4.470 0.001 0.000 0.371 448 S C 1.157 175.827 174.600 0.117 0.000 0.980 448 S CA 1.808 59.988 58.200 -0.034 0.000 1.204 448 S CB -1.958 61.294 63.200 0.086 0.000 0.915 448 S HN 1.831 nan 8.310 nan 0.000 0.482 449 W N -2.164 119.212 121.300 0.126 0.000 2.303 449 W HA -0.247 4.413 4.660 0.001 0.000 0.267 449 W C 0.292 176.882 176.519 0.119 0.000 1.054 449 W CA 0.510 57.929 57.345 0.124 0.000 0.501 449 W CB -1.687 27.801 29.460 0.047 0.000 2.076 449 W HN 0.608 nan 8.180 nan 0.000 1.317 450 D N 0.394 120.959 120.400 0.275 0.000 2.389 450 D HA 0.309 4.949 4.640 0.001 0.000 0.247 450 D C 1.373 177.746 176.300 0.121 0.000 1.128 450 D CA 1.352 55.451 54.000 0.166 0.000 0.884 450 D CB 1.067 41.947 40.800 0.133 0.000 1.194 450 D HN 0.084 nan 8.370 nan 0.000 0.441 451 T N -0.243 114.307 114.554 -0.006 0.000 3.010 451 T HA 0.161 4.511 4.350 0.001 0.000 0.257 451 T C 1.246 175.884 174.700 -0.103 0.000 1.020 451 T CA -0.103 61.913 62.100 -0.140 0.000 0.938 451 T CB 0.177 68.752 68.868 -0.490 0.000 1.049 451 T HN 0.238 nan 8.240 nan 0.000 0.522 452 K N 1.610 121.947 120.400 -0.105 0.000 2.017 452 K HA 0.064 4.384 4.320 0.001 0.000 0.207 452 K C 2.460 178.981 176.600 -0.131 0.000 1.035 452 K CA 1.307 57.520 56.287 -0.124 0.000 0.947 452 K CB -0.022 32.402 32.500 -0.127 0.000 0.749 452 K HN 0.521 nan 8.250 nan 0.000 0.443 453 Q N -1.210 118.467 119.800 -0.204 0.000 2.353 453 Q HA 0.091 4.431 4.340 0.001 0.000 0.240 453 Q C 0.939 176.945 176.000 0.011 0.000 0.868 453 Q CA 0.212 55.918 55.803 -0.162 0.000 0.944 453 Q CB 0.285 28.878 28.738 -0.242 0.000 1.104 453 Q HN 0.227 nan 8.270 nan 0.000 0.531 454 Y N 1.925 122.219 120.300 -0.010 0.000 2.462 454 Y HA 0.324 4.875 4.550 0.001 0.000 0.261 454 Y C -1.692 174.234 175.900 0.042 0.000 1.146 454 Y CA -2.505 55.588 58.100 -0.012 0.000 1.283 454 Y CB -0.883 37.568 38.460 -0.015 0.000 1.090 454 Y HN 0.114 nan 8.280 nan 0.000 0.526 455 P HA 0.016 nan 4.420 nan 0.000 0.269 455 P C -0.071 177.404 177.300 0.292 0.000 1.209 455 P CA 0.472 63.739 63.100 0.280 0.000 0.776 455 P CB 1.425 33.321 31.700 0.326 0.000 0.876 456 I N 1.965 122.663 120.570 0.215 0.000 2.325 456 I HA 0.196 4.366 4.170 0.001 0.000 0.291 456 I C 1.163 177.269 176.117 -0.018 0.000 1.019 456 I CA -0.454 60.902 61.300 0.094 0.000 1.302 456 I CB 0.713 38.717 38.000 0.006 0.000 1.401 456 I HN 0.357 nan 8.210 nan 0.000 0.485 457 Q N 6.354 126.036 119.800 -0.196 0.000 2.293 457 Q HA 0.492 4.832 4.340 0.001 0.000 0.251 457 Q C -1.211 174.397 176.000 -0.653 0.000 0.930 457 Q CA -0.379 54.976 55.803 -0.747 0.000 0.893 457 Q CB 1.132 29.386 28.738 -0.808 0.000 1.215 457 Q HN 0.587 nan 8.270 nan 0.000 0.425 458 L N 3.084 123.876 121.223 -0.719 0.000 2.332 458 L HA 0.543 4.883 4.340 0.001 0.000 0.269 458 L C -1.054 175.492 176.870 -0.541 0.000 1.016 458 L CA -1.050 53.555 54.840 -0.392 0.000 0.809 458 L CB 1.137 43.167 42.059 -0.049 0.000 1.280 458 L HN 0.693 nan 8.230 nan 0.000 0.447 459 Y N -1.035 119.375 120.300 0.182 0.000 2.512 459 Y HA 0.296 4.846 4.550 0.001 0.000 0.348 459 Y C -0.655 175.068 175.900 -0.296 0.000 0.990 459 Y CA -0.692 57.429 58.100 0.035 0.000 1.033 459 Y CB 1.712 40.142 38.460 -0.050 0.000 1.259 459 Y HN 0.279 nan 8.280 nan 0.000 0.461 460 Y N 2.764 122.586 120.300 -0.798 0.000 2.436 460 Y HA 0.169 4.719 4.550 0.001 0.000 0.336 460 Y C -0.145 175.473 175.900 -0.470 0.000 1.049 460 Y CA -0.754 56.675 58.100 -1.119 0.000 1.294 460 Y CB 0.411 38.030 38.460 -1.402 0.000 1.179 460 Y HN 0.533 nan 8.280 nan 0.000 0.520 461 D N 4.046 123.832 120.400 -1.025 0.000 2.441 461 D HA 0.117 4.758 4.640 0.001 0.000 0.221 461 D C 0.634 176.329 176.300 -1.009 0.000 1.156 461 D CA 0.170 53.747 54.000 -0.705 0.000 0.896 461 D CB 0.961 41.537 40.800 -0.374 0.000 1.028 461 D HN 0.728 nan 8.370 nan 0.000 0.509 462 S N 2.624 117.874 115.700 -0.749 0.000 2.387 462 S HA -0.276 4.195 4.470 0.001 0.000 0.230 462 S C 1.565 176.034 174.600 -0.219 0.000 1.035 462 S CA 1.450 59.407 58.200 -0.406 0.000 1.014 462 S CB -0.397 62.748 63.200 -0.092 0.000 0.836 462 S HN 0.754 nan 8.310 nan 0.000 0.466 463 H N 1.668 120.592 119.070 -0.244 0.000 2.261 463 H HA 0.022 4.578 4.556 0.001 0.000 0.301 463 H C 1.990 177.229 175.328 -0.148 0.000 1.067 463 H CA 2.041 57.998 56.048 -0.152 0.000 1.297 463 H CB -0.397 29.290 29.762 -0.125 0.000 1.377 463 H HN 0.272 nan 8.280 nan 0.000 0.492 464 S N 0.148 115.782 115.700 -0.110 0.000 2.515 464 S HA -0.097 4.373 4.470 0.001 0.000 0.231 464 S C 0.406 174.909 174.600 -0.161 0.000 0.987 464 S CA 0.715 58.839 58.200 -0.127 0.000 0.936 464 S CB -0.534 62.655 63.200 -0.019 0.000 0.766 464 S HN 0.717 nan 8.310 nan 0.000 0.528 465 N N 2.071 120.615 118.700 -0.260 0.000 2.608 465 N HA -0.168 4.572 4.740 0.001 0.000 0.273 465 N C -1.285 174.231 175.510 0.009 0.000 1.133 465 N CA 1.156 54.138 53.050 -0.114 0.000 0.726 465 N CB -1.383 37.127 38.487 0.039 0.000 0.890 465 N HN 0.628 nan 8.380 nan 0.000 0.548 466 D N -1.020 119.283 120.400 -0.160 0.000 2.827 466 D HA 0.402 5.042 4.640 0.001 0.000 0.336 466 D C -1.330 174.893 176.300 -0.127 0.000 1.374 466 D CA -0.626 53.405 54.000 0.052 0.000 0.794 466 D CB -0.365 40.483 40.800 0.080 0.000 1.364 466 D HN 0.137 nan 8.370 nan 0.000 0.464 467 W N 0.500 121.860 121.300 0.099 0.000 2.475 467 W HA 0.711 5.371 4.660 0.001 0.000 0.317 467 W C 0.503 177.041 176.519 0.032 0.000 1.046 467 W CA -0.437 56.947 57.345 0.066 0.000 1.215 467 W CB 1.508 30.993 29.460 0.043 0.000 1.335 467 W HN 0.600 nan 8.180 nan 0.000 0.471 468 R N 2.038 122.637 120.500 0.166 0.000 2.752 468 R HA 0.977 5.317 4.340 0.001 0.000 0.271 468 R C -0.688 175.678 176.300 0.110 0.000 1.026 468 R CA -1.378 54.791 56.100 0.115 0.000 0.901 468 R CB 1.683 32.020 30.300 0.061 0.000 1.243 468 R HN 0.615 nan 8.270 nan 0.000 0.463 469 G N 0.329 109.181 108.800 0.087 0.000 2.667 469 G HA2 0.241 4.201 3.960 0.001 0.000 0.294 469 G HA3 0.241 4.201 3.960 0.001 0.000 0.294 469 G C -1.754 173.183 174.900 0.062 0.000 1.467 469 G CA -0.946 44.216 45.100 0.104 0.000 0.852 469 G HN 0.435 nan 8.290 nan 0.000 0.521 470 N N 0.776 119.511 118.700 0.059 0.000 2.439 470 N HA 0.348 5.088 4.740 0.001 0.000 0.243 470 N C -0.164 175.358 175.510 0.020 0.000 1.088 470 N CA 0.016 53.086 53.050 0.034 0.000 0.940 470 N CB 1.833 40.332 38.487 0.021 0.000 1.180 470 N HN 0.256 nan 8.380 nan 0.000 0.505 471 V N 2.124 122.040 119.914 0.003 0.000 2.547 471 V HA 0.343 4.463 4.120 0.001 0.000 0.299 471 V C 0.473 176.539 176.094 -0.046 0.000 1.040 471 V CA -0.907 61.375 62.300 -0.030 0.000 0.913 471 V CB 2.176 33.958 31.823 -0.068 0.000 0.992 471 V HN 0.198 nan 8.190 nan 0.000 0.449 472 V N 5.816 125.690 119.914 -0.067 0.000 2.364 472 V HA 0.385 4.505 4.120 0.001 0.000 0.272 472 V C -0.187 175.818 176.094 -0.148 0.000 1.036 472 V CA -0.314 61.932 62.300 -0.090 0.000 0.880 472 V CB 0.948 32.728 31.823 -0.073 0.000 0.991 472 V HN 0.466 nan 8.190 nan 0.000 0.460 473 L N 7.235 128.356 121.223 -0.170 0.000 2.303 473 L HA 0.676 5.017 4.340 0.001 0.000 0.266 473 L C -2.391 174.320 176.870 -0.264 0.000 1.011 473 L CA -2.507 52.197 54.840 -0.227 0.000 0.818 473 L CB 2.151 44.088 42.059 -0.204 0.000 1.326 473 L HN 0.357 nan 8.230 nan 0.000 0.435 474 P HA 0.201 nan 4.420 nan 0.000 0.282 474 P C -0.736 176.411 177.300 -0.256 0.000 1.274 474 P CA -0.362 62.549 63.100 -0.315 0.000 0.770 474 P CB 0.950 32.418 31.700 -0.387 0.000 0.867 475 A N 3.813 126.501 122.820 -0.219 0.000 2.445 475 A HA 0.073 4.394 4.320 0.001 0.000 0.242 475 A C 0.754 178.226 177.584 -0.188 0.000 1.075 475 A CA -0.099 51.812 52.037 -0.210 0.000 0.777 475 A CB -0.743 18.158 19.000 -0.165 0.000 1.013 475 A HN 0.688 nan 8.150 nan 0.000 0.493 476 E N -0.609 119.476 120.200 -0.191 0.000 2.440 476 E HA -0.191 4.160 4.350 0.001 0.000 0.246 476 E C -0.515 176.008 176.600 -0.129 0.000 1.165 476 E CA 0.664 56.976 56.400 -0.147 0.000 0.726 476 E CB -0.985 28.649 29.700 -0.111 0.000 1.271 476 E HN 0.535 nan 8.360 nan 0.000 0.397 477 R N 0.435 120.848 120.500 -0.146 0.000 2.686 477 R HA 0.356 4.696 4.340 0.001 0.000 0.283 477 R C -0.340 175.912 176.300 -0.079 0.000 0.978 477 R CA -1.122 54.909 56.100 -0.116 0.000 0.897 477 R CB 1.111 31.320 30.300 -0.152 0.000 1.192 477 R HN -0.043 nan 8.270 nan 0.000 0.457 478 N N 2.362 121.043 118.700 -0.032 0.000 2.497 478 N HA 0.323 5.063 4.740 0.001 0.000 0.271 478 N C 0.088 175.620 175.510 0.037 0.000 1.142 478 N CA -0.039 53.027 53.050 0.026 0.000 0.965 478 N CB 0.664 39.174 38.487 0.039 0.000 1.077 478 N HN 0.488 nan 8.380 nan 0.000 0.462 479 I N -2.396 118.238 120.570 0.107 0.000 2.934 479 I HA 0.666 4.836 4.170 0.001 0.000 0.306 479 I C -0.616 175.622 176.117 0.203 0.000 1.110 479 I CA -0.902 60.465 61.300 0.112 0.000 1.019 479 I CB 2.539 40.595 38.000 0.093 0.000 1.227 479 I HN 0.202 nan 8.210 nan 0.000 0.434 480 E N 3.221 123.527 120.200 0.177 0.000 2.272 480 E HA 0.721 5.072 4.350 0.001 0.000 0.269 480 E C -1.691 175.031 176.600 0.205 0.000 0.877 480 E CA -0.555 55.972 56.400 0.211 0.000 0.755 480 E CB 2.736 32.583 29.700 0.245 0.000 1.192 480 E HN 0.592 nan 8.360 nan 0.000 0.422 481 F N -0.251 119.713 119.950 0.023 0.000 2.713 481 F HA 0.678 5.205 4.527 0.001 0.000 0.311 481 F C -1.536 174.381 175.800 0.195 0.000 1.141 481 F CA -1.030 56.958 58.000 -0.020 0.000 0.939 481 F CB 1.513 40.449 39.000 -0.107 0.000 1.325 481 F HN 0.116 nan 8.300 nan 0.000 0.453 482 K N 1.304 121.964 120.400 0.433 0.000 2.523 482 K HA 0.774 5.094 4.320 0.001 0.000 0.257 482 K C -1.275 175.645 176.600 0.532 0.000 0.932 482 K CA -1.026 55.490 56.287 0.381 0.000 0.812 482 K CB 2.596 35.412 32.500 0.527 0.000 1.326 482 K HN 0.994 nan 8.250 nan 0.000 0.433 483 A N 2.286 125.308 122.820 0.336 0.000 2.286 483 A HA 0.815 5.135 4.320 0.001 0.000 0.286 483 A C -0.847 176.917 177.584 0.300 0.000 1.097 483 A CA -0.320 51.894 52.037 0.294 0.000 0.821 483 A CB 0.033 19.202 19.000 0.282 0.000 1.076 483 A HN 0.625 nan 8.150 nan 0.000 0.490 484 F N -0.999 118.989 119.950 0.064 0.000 2.654 484 F HA 0.738 5.265 4.527 0.001 0.000 0.308 484 F C -1.206 174.583 175.800 -0.019 0.000 1.108 484 F CA -1.246 56.678 58.000 -0.126 0.000 0.957 484 F CB 0.985 39.382 39.000 -1.006 0.000 1.309 484 F HN 0.394 nan 8.300 nan 0.000 0.446 485 I N 2.556 123.213 120.570 0.144 0.000 2.385 485 I HA 0.393 4.563 4.170 0.001 0.000 0.294 485 I C -0.433 175.687 176.117 0.004 0.000 0.988 485 I CA -0.739 60.506 61.300 -0.091 0.000 1.265 485 I CB 1.832 39.731 38.000 -0.168 0.000 1.388 485 I HN 0.613 nan 8.210 nan 0.000 0.480 486 K N 4.589 124.966 120.400 -0.040 0.000 2.358 486 K HA 0.347 4.667 4.320 0.001 0.000 0.260 486 K C -0.076 176.515 176.600 -0.016 0.000 0.956 486 K CA -0.451 55.842 56.287 0.010 0.000 0.834 486 K CB 1.528 34.024 32.500 -0.006 0.000 1.102 486 K HN 0.792 nan 8.250 nan 0.000 0.431 487 S N 2.455 118.146 115.700 -0.015 0.000 2.606 487 S HA 0.061 4.531 4.470 0.001 0.000 0.257 487 S C 0.960 175.558 174.600 -0.002 0.000 1.327 487 S CA -0.277 57.913 58.200 -0.017 0.000 0.984 487 S CB 0.763 63.956 63.200 -0.013 0.000 0.941 487 S HN 0.493 nan 8.310 nan 0.000 0.576 488 K N 1.378 121.777 120.400 -0.001 0.000 2.113 488 K HA -0.108 4.213 4.320 0.001 0.000 0.208 488 K C 1.544 178.152 176.600 0.013 0.000 1.047 488 K CA 1.937 58.230 56.287 0.011 0.000 0.928 488 K CB -0.621 31.883 32.500 0.008 0.000 0.716 488 K HN 0.838 nan 8.250 nan 0.000 0.446 489 D N -1.185 119.219 120.400 0.006 0.000 2.336 489 D HA 0.036 4.676 4.640 0.001 0.000 0.229 489 D C 0.715 177.016 176.300 0.001 0.000 1.061 489 D CA 0.764 54.767 54.000 0.005 0.000 0.875 489 D CB 0.066 40.868 40.800 0.003 0.000 0.904 489 D HN 0.272 nan 8.370 nan 0.000 0.525 490 G N 1.451 110.251 108.800 -0.001 0.000 2.136 490 G HA2 -0.262 3.699 3.960 0.001 0.000 0.242 490 G HA3 -0.262 3.699 3.960 0.001 0.000 0.242 490 G C 0.373 175.256 174.900 -0.029 0.000 0.989 490 G CA 0.528 45.618 45.100 -0.016 0.000 0.682 490 G HN 0.682 nan 8.290 nan 0.000 0.522 491 T N -2.154 112.388 114.554 -0.020 0.000 2.895 491 T HA 0.680 5.031 4.350 0.001 0.000 0.283 491 T C 0.318 175.004 174.700 -0.024 0.000 1.014 491 T CA -0.461 61.624 62.100 -0.025 0.000 1.037 491 T CB 2.587 71.447 68.868 -0.014 0.000 1.006 491 T HN 0.808 nan 8.240 nan 0.000 0.468 492 V N 3.644 123.530 119.914 -0.047 0.000 2.529 492 V HA 0.131 4.251 4.120 0.001 0.000 0.292 492 V C 1.628 177.707 176.094 -0.025 0.000 1.028 492 V CA 0.054 62.312 62.300 -0.069 0.000 1.074 492 V CB 0.459 32.155 31.823 -0.213 0.000 0.958 492 V HN 1.059 nan 8.190 nan 0.000 0.481 493 K N 3.161 123.558 120.400 -0.004 0.000 2.141 493 K HA 0.107 4.428 4.320 0.001 0.000 0.202 493 K C 0.646 177.291 176.600 0.074 0.000 1.045 493 K CA 1.033 57.333 56.287 0.023 0.000 0.971 493 K CB 0.440 32.940 32.500 0.001 0.000 0.795 493 K HN 0.866 nan 8.250 nan 0.000 0.459 494 S N -2.023 113.739 115.700 0.104 0.000 2.636 494 S HA 0.450 4.920 4.470 0.001 0.000 0.268 494 S C -1.747 172.990 174.600 0.229 0.000 1.159 494 S CA -1.169 57.178 58.200 0.245 0.000 0.815 494 S CB 0.625 64.049 63.200 0.374 0.000 1.130 494 S HN 0.260 nan 8.310 nan 0.000 0.471 495 W N 0.748 122.151 121.300 0.172 0.000 2.882 495 W HA 0.620 5.281 4.660 0.001 0.000 0.345 495 W C 0.039 176.173 176.519 -0.640 0.000 1.125 495 W CA -0.590 56.714 57.345 -0.069 0.000 1.167 495 W CB 1.582 30.991 29.460 -0.085 0.000 1.431 495 W HN 0.922 nan 8.180 nan 0.000 0.543 496 Q N 0.676 120.084 119.800 -0.655 0.000 2.395 496 Q HA 0.047 4.387 4.340 0.001 0.000 0.271 496 Q C 0.855 176.535 176.000 -0.533 0.000 1.026 496 Q CA 0.816 55.946 55.803 -1.123 0.000 0.900 496 Q CB 1.189 29.588 28.738 -0.564 0.000 1.266 496 Q HN 0.649 nan 8.270 nan 0.000 0.430 497 T N 3.721 117.966 114.554 -0.516 0.000 2.643 497 T HA -0.024 4.326 4.350 0.001 0.000 0.264 497 T C 0.632 175.220 174.700 -0.186 0.000 1.045 497 T CA 1.008 62.955 62.100 -0.254 0.000 1.155 497 T CB -0.012 68.755 68.868 -0.168 0.000 0.863 497 T HN 0.516 nan 8.240 nan 0.000 0.420 498 I N 1.374 121.843 120.570 -0.169 0.000 2.392 498 I HA 0.254 4.425 4.170 0.001 0.000 0.295 498 I C 0.275 176.301 176.117 -0.151 0.000 0.985 498 I CA -0.739 60.479 61.300 -0.136 0.000 1.221 498 I CB 1.449 39.389 38.000 -0.101 0.000 1.366 498 I HN 0.151 nan 8.210 nan 0.000 0.467 499 Q N 5.493 125.210 119.800 -0.139 0.000 2.313 499 Q HA 0.094 4.435 4.340 0.001 0.000 0.266 499 Q C -0.752 175.135 176.000 -0.188 0.000 0.989 499 Q CA -0.426 55.297 55.803 -0.133 0.000 0.890 499 Q CB 0.850 29.536 28.738 -0.086 0.000 1.200 499 Q HN 0.459 nan 8.270 nan 0.000 0.396 500 Q N 1.281 120.851 119.800 -0.383 0.000 2.199 500 Q HA 0.484 4.825 4.340 0.001 0.000 0.232 500 Q C -0.594 175.143 176.000 -0.438 0.000 0.969 500 Q CA -0.269 55.190 55.803 -0.573 0.000 0.925 500 Q CB 1.929 29.900 28.738 -1.279 0.000 1.198 500 Q HN 0.823 nan 8.270 nan 0.000 0.494 501 S N -1.110 114.482 115.700 -0.180 0.000 2.588 501 S HA 0.659 5.129 4.470 0.001 0.000 0.269 501 S C -1.865 172.942 174.600 0.345 0.000 1.157 501 S CA -0.894 57.377 58.200 0.118 0.000 0.824 501 S CB 1.530 64.797 63.200 0.113 0.000 1.126 501 S HN 0.583 nan 8.310 nan 0.000 0.464 502 W N 2.003 123.428 121.300 0.208 0.000 2.740 502 W HA 0.461 5.122 4.660 0.001 0.000 0.316 502 W C -1.741 174.841 176.519 0.106 0.000 1.020 502 W CA -1.199 56.271 57.345 0.207 0.000 1.278 502 W CB 0.678 30.256 29.460 0.198 0.000 1.224 502 W HN 0.904 nan 8.180 nan 0.000 0.393 503 N N 6.352 125.272 118.700 0.367 0.000 2.706 503 N HA 0.354 5.095 4.740 0.001 0.000 0.240 503 N C -2.175 173.405 175.510 0.117 0.000 1.039 503 N CA -0.914 52.243 53.050 0.178 0.000 0.888 503 N CB 2.008 40.577 38.487 0.137 0.000 1.128 503 N HN 0.067 nan 8.380 nan 0.000 0.512 504 P HA 0.321 nan 4.420 nan 0.000 0.317 504 P C -0.431 176.727 177.300 -0.236 0.000 1.301 504 P CA -0.513 62.561 63.100 -0.043 0.000 0.799 504 P CB 1.081 32.735 31.700 -0.076 0.000 1.344 505 V N 1.822 121.528 119.914 -0.347 0.000 2.521 505 V HA 0.119 4.239 4.120 0.001 0.000 0.286 505 V C -1.952 173.774 176.094 -0.612 0.000 1.034 505 V CA -0.931 60.935 62.300 -0.724 0.000 1.045 505 V CB -0.047 31.480 31.823 -0.493 0.000 0.974 505 V HN 0.547 nan 8.190 nan 0.000 0.480 506 P HA 0.025 nan 4.420 nan 0.000 0.269 506 P C 0.491 177.613 177.300 -0.297 0.000 1.209 506 P CA -0.286 62.572 63.100 -0.404 0.000 0.776 506 P CB 0.583 32.082 31.700 -0.335 0.000 0.876 507 L N 1.937 123.051 121.223 -0.182 0.000 2.291 507 L HA 0.065 4.405 4.340 0.001 0.000 0.214 507 L C 0.470 177.276 176.870 -0.107 0.000 1.120 507 L CA 1.826 56.586 54.840 -0.134 0.000 0.799 507 L CB -0.856 41.148 42.059 -0.091 0.000 0.925 507 L HN 0.213 nan 8.230 nan 0.000 0.446 508 K N -0.901 119.440 120.400 -0.098 0.000 2.156 508 K HA 0.390 4.710 4.320 0.001 0.000 0.254 508 K C -0.255 176.310 176.600 -0.057 0.000 0.950 508 K CA -0.369 55.882 56.287 -0.060 0.000 0.849 508 K CB 1.414 33.896 32.500 -0.030 0.000 1.100 508 K HN -0.166 nan 8.250 nan 0.000 0.434 509 T N 2.445 116.981 114.554 -0.030 0.000 2.867 509 T HA 0.215 4.565 4.350 0.001 0.000 0.297 509 T C 0.134 174.863 174.700 0.049 0.000 0.989 509 T CA 0.088 62.188 62.100 -0.000 0.000 1.159 509 T CB 0.125 68.995 68.868 0.003 0.000 0.928 509 T HN 0.798 nan 8.240 nan 0.000 0.538 510 T N -0.270 114.355 114.554 0.118 0.000 2.606 510 T HA 0.747 5.097 4.350 0.001 0.000 0.280 510 T C -0.626 174.230 174.700 0.260 0.000 1.074 510 T CA -0.810 61.399 62.100 0.182 0.000 1.140 510 T CB 1.236 70.251 68.868 0.244 0.000 1.631 510 T HN 0.654 nan 8.240 nan 0.000 0.464 511 S N -0.090 115.777 115.700 0.278 0.000 2.556 511 S HA 0.594 5.064 4.470 0.001 0.000 0.271 511 S C -1.616 173.009 174.600 0.042 0.000 1.135 511 S CA -0.829 57.490 58.200 0.200 0.000 0.858 511 S CB 1.721 64.980 63.200 0.098 0.000 1.114 511 S HN 1.042 nan 8.310 nan 0.000 0.468 512 H N 1.266 120.173 119.070 -0.272 0.000 2.638 512 H HA 0.523 5.079 4.556 0.001 0.000 0.317 512 H C -1.158 174.058 175.328 -0.188 0.000 1.006 512 H CA -0.038 55.697 56.048 -0.521 0.000 1.222 512 H CB 1.250 30.384 29.762 -1.047 0.000 1.419 512 H HN 0.754 nan 8.280 nan 0.000 0.489 513 T N 3.985 118.437 114.554 -0.170 0.000 2.794 513 T HA 0.433 4.783 4.350 0.001 0.000 0.280 513 T C -0.380 174.309 174.700 -0.019 0.000 0.987 513 T CA -0.638 61.452 62.100 -0.016 0.000 0.993 513 T CB 1.017 69.868 68.868 -0.028 0.000 0.939 513 T HN 0.677 nan 8.240 nan 0.000 0.449 514 S N 1.609 117.371 115.700 0.102 0.000 2.579 514 S HA 0.752 5.223 4.470 0.001 0.000 0.272 514 S C -0.743 173.929 174.600 0.119 0.000 1.141 514 S CA -0.945 57.308 58.200 0.089 0.000 0.843 514 S CB 1.723 65.001 63.200 0.132 0.000 1.122 514 S HN 0.459 nan 8.310 nan 0.000 0.468 515 S N 1.329 117.087 115.700 0.098 0.000 2.617 515 S HA 0.461 4.931 4.470 0.001 0.000 0.283 515 S C -0.196 174.515 174.600 0.186 0.000 1.189 515 S CA -0.786 57.502 58.200 0.148 0.000 1.036 515 S CB 0.524 63.789 63.200 0.109 0.000 1.014 515 S HN 0.686 nan 8.310 nan 0.000 0.522 516 W N 0.000 121.333 121.300 0.055 0.000 2.388 516 W HA 0.000 4.660 4.660 0.001 0.000 0.303 516 W CA 0.000 57.377 57.345 0.053 0.000 1.226 516 W CB 0.000 29.488 29.460 0.046 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535