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 2a9e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVNKDVKQTT AFGAPVWDDN NVITAGPRGP VLLQSTWFLE KLAAFDRERI DATA SEQUENCE PERVVHAKGS GAYGTFTVTK DITKYTKAKI FSKVGKKTEC FFRFSTVAGE DATA SEQUENCE RGSADAVRDP RGFAMKYYTE EGNWDLVGNN TPVFFIRDAI KFPDFIHTQK DATA SEQUENCE RDPQTNLPNH DXVWDFWSNV PESLYQVTWV XSDRGIPKSF RHMDGFGSHT DATA SEQUENCE FSLINAKGER FWVKFHFHTM QGVKHLTNEE AAEIRKHDPD SNQRDLFDAI DATA SEQUENCE ARGDYPKWKL SIQVMPEEDA KKYRFHPFDV TKIWYTQDYP LXEVGIVELN DATA SEQUENCE KNPENYFAEV EQAAFTPANV VPGIGYSPDR MLQGRLFSYG DTHRYRLGVN DATA SEQUENCE YPQIPVNKPR CPFHSSSRDG YXQNGYYGSL QNYTPSSLPG YKEDKSARDP DATA SEQUENCE KFNLAHIEKE FEVWNWDYRA DDSDYYTQPG DYYRSLPADE KERLHDTIGE DATA SEQUENCE SLAHVTHKEI VDKQLEHFKK ADPKYAEGVK KALEKHQKMM K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 V N -0.032 119.914 119.914 0.053 0.000 2.547 2 V HA 0.720 4.841 4.120 0.001 0.000 0.299 2 V C -1.040 175.076 176.094 0.036 0.000 1.040 2 V CA -0.302 62.027 62.300 0.048 0.000 0.913 2 V CB 1.634 33.489 31.823 0.052 0.000 0.992 2 V HN 0.955 nan 8.190 nan 0.000 0.449 3 N N 3.236 121.954 118.700 0.031 0.000 2.424 3 N HA 0.600 5.341 4.740 0.001 0.000 0.271 3 N C -0.861 174.662 175.510 0.022 0.000 0.985 3 N CA -0.559 52.505 53.050 0.024 0.000 0.921 3 N CB 1.780 40.280 38.487 0.021 0.000 1.149 3 N HN 0.863 nan 8.380 nan 0.000 0.492 4 K N 1.163 121.575 120.400 0.019 0.000 2.464 4 K HA 0.288 4.609 4.320 0.001 0.000 0.253 4 K C -1.531 175.076 176.600 0.011 0.000 0.933 4 K CA -0.763 55.533 56.287 0.016 0.000 0.801 4 K CB 1.397 33.906 32.500 0.016 0.000 1.271 4 K HN 0.384 nan 8.250 nan 0.000 0.430 5 D N 2.563 122.968 120.400 0.009 0.000 2.417 5 D HA 0.161 4.801 4.640 0.001 0.000 0.250 5 D C -0.545 175.757 176.300 0.003 0.000 1.166 5 D CA 0.254 54.258 54.000 0.006 0.000 0.881 5 D CB 1.081 41.885 40.800 0.006 0.000 1.164 5 D HN 0.322 nan 8.370 nan 0.000 0.467 6 V N -0.504 119.409 119.914 -0.001 0.000 2.971 6 V HA 0.473 4.593 4.120 0.001 0.000 0.309 6 V C -0.337 175.748 176.094 -0.015 0.000 1.130 6 V CA -1.216 61.080 62.300 -0.008 0.000 0.964 6 V CB 2.072 33.889 31.823 -0.009 0.000 1.029 6 V HN 0.209 nan 8.190 nan 0.000 0.427 7 K N 2.683 123.071 120.400 -0.019 0.000 2.349 7 K HA 0.277 4.598 4.320 0.001 0.000 0.288 7 K C -0.142 176.427 176.600 -0.051 0.000 1.058 7 K CA -0.019 56.252 56.287 -0.027 0.000 0.953 7 K CB 1.023 33.511 32.500 -0.021 0.000 0.997 7 K HN 0.834 nan 8.250 nan 0.000 0.477 8 Q N 2.617 122.374 119.800 -0.071 0.000 2.304 8 Q HA 0.081 4.422 4.340 0.001 0.000 0.260 8 Q C -0.417 175.466 176.000 -0.194 0.000 0.965 8 Q CA -0.016 55.711 55.803 -0.127 0.000 0.898 8 Q CB 0.856 29.515 28.738 -0.132 0.000 1.196 8 Q HN 0.740 nan 8.270 nan 0.000 0.402 9 T N -0.365 114.041 114.554 -0.246 0.000 2.838 9 T HA 0.491 4.842 4.350 0.001 0.000 0.292 9 T C 0.147 174.577 174.700 -0.449 0.000 1.113 9 T CA -0.415 61.515 62.100 -0.284 0.000 1.008 9 T CB 1.209 69.993 68.868 -0.140 0.000 1.259 9 T HN 0.668 nan 8.240 nan 0.000 0.520 10 T N -0.970 113.355 114.554 -0.381 0.000 2.748 10 T HA 0.448 4.798 4.350 0.001 0.000 0.304 10 T C 1.830 176.451 174.700 -0.133 0.000 1.041 10 T CA -0.107 61.856 62.100 -0.228 0.000 1.033 10 T CB 0.017 68.926 68.868 0.068 0.000 0.995 10 T HN 1.167 nan 8.240 nan 0.000 0.536 11 A N 0.392 123.113 122.820 -0.164 0.000 2.186 11 A HA 0.121 4.442 4.320 0.001 0.000 0.219 11 A C 1.419 178.688 177.584 -0.524 0.000 1.159 11 A CA 0.815 52.614 52.037 -0.397 0.000 0.680 11 A CB -1.027 17.615 19.000 -0.597 0.000 0.787 11 A HN 0.808 nan 8.150 nan 0.000 0.467 12 F N -1.589 118.371 119.950 0.018 0.000 2.653 12 F HA 0.411 4.939 4.527 0.001 0.000 0.304 12 F C 1.709 177.510 175.800 0.001 0.000 1.092 12 F CA 0.452 58.462 58.000 0.017 0.000 1.279 12 F CB 0.325 39.344 39.000 0.032 0.000 1.044 12 F HN 0.287 nan 8.300 nan 0.000 0.564 13 G N 0.588 109.434 108.800 0.077 0.000 2.176 13 G HA2 -0.172 3.789 3.960 0.001 0.000 0.253 13 G HA3 -0.172 3.789 3.960 0.001 0.000 0.253 13 G C 0.340 175.262 174.900 0.036 0.000 0.979 13 G CA -0.170 44.953 45.100 0.038 0.000 0.641 13 G HN 0.634 nan 8.290 nan 0.000 0.530 14 A N 0.768 123.624 122.820 0.061 0.000 2.388 14 A HA 0.709 5.030 4.320 0.001 0.000 0.257 14 A C -1.621 175.959 177.584 -0.006 0.000 1.095 14 A CA -0.964 51.106 52.037 0.054 0.000 0.791 14 A CB 0.388 19.448 19.000 0.100 0.000 1.029 14 A HN 0.154 nan 8.150 nan 0.000 0.489 15 P HA 0.146 nan 4.420 nan 0.000 0.266 15 P C -0.630 176.653 177.300 -0.029 0.000 1.195 15 P CA 0.047 63.153 63.100 0.009 0.000 0.768 15 P CB 0.528 32.275 31.700 0.078 0.000 0.838 16 V N 5.274 125.061 119.914 -0.211 0.000 2.406 16 V HA 0.131 4.251 4.120 0.001 0.000 0.272 16 V C 0.981 176.999 176.094 -0.127 0.000 1.043 16 V CA -0.001 62.046 62.300 -0.422 0.000 0.915 16 V CB 0.431 31.840 31.823 -0.689 0.000 0.988 16 V HN 0.777 nan 8.190 nan 0.000 0.466 17 W N 2.229 123.486 121.300 -0.072 0.000 3.058 17 W HA 0.410 5.070 4.660 0.001 0.000 0.306 17 W C -0.012 176.521 176.519 0.024 0.000 1.188 17 W CA -0.171 57.164 57.345 -0.017 0.000 1.651 17 W CB 0.461 29.920 29.460 -0.002 0.000 1.051 17 W HN 0.507 nan 8.180 nan 0.000 0.592 18 D N 1.257 121.573 120.400 -0.139 0.000 2.365 18 D HA 0.044 4.685 4.640 0.001 0.000 0.235 18 D C -0.862 175.460 176.300 0.036 0.000 1.368 18 D CA -0.027 53.968 54.000 -0.009 0.000 1.001 18 D CB 1.171 41.992 40.800 0.034 0.000 1.364 18 D HN -0.216 nan 8.370 nan 0.000 0.577 19 D N 1.955 122.412 120.400 0.095 0.000 2.325 19 D HA 0.162 4.802 4.640 0.001 0.000 0.225 19 D C 0.537 176.911 176.300 0.123 0.000 1.096 19 D CA 0.328 54.459 54.000 0.217 0.000 0.844 19 D CB 0.400 41.322 40.800 0.202 0.000 0.925 19 D HN 0.236 nan 8.370 nan 0.000 0.513 20 N N -0.664 118.080 118.700 0.073 0.000 2.325 20 N HA 0.089 4.830 4.740 0.001 0.000 0.220 20 N C -0.542 174.980 175.510 0.020 0.000 1.176 20 N CA -0.006 53.068 53.050 0.040 0.000 0.861 20 N CB 0.651 39.161 38.487 0.038 0.000 1.230 20 N HN 0.080 nan 8.380 nan 0.000 0.479 21 N N 1.393 120.106 118.700 0.021 0.000 2.295 21 N HA 0.230 4.970 4.740 0.001 0.000 0.293 21 N C -0.069 175.429 175.510 -0.019 0.000 1.040 21 N CA -0.336 52.713 53.050 -0.001 0.000 0.840 21 N CB 3.304 41.803 38.487 0.020 0.000 1.468 21 N HN -0.184 nan 8.380 nan 0.000 0.478 22 V N -0.659 119.211 119.914 -0.072 0.000 3.489 22 V HA 0.421 4.542 4.120 0.001 0.000 0.297 22 V C 0.507 176.571 176.094 -0.051 0.000 1.071 22 V CA -0.566 61.667 62.300 -0.112 0.000 1.074 22 V CB 0.434 32.075 31.823 -0.305 0.000 1.188 22 V HN 0.409 nan 8.190 nan 0.000 0.458 23 I N 2.573 123.123 120.570 -0.033 0.000 2.371 23 I HA 0.493 4.663 4.170 0.001 0.000 0.290 23 I C 0.501 176.610 176.117 -0.013 0.000 1.028 23 I CA 0.434 61.748 61.300 0.025 0.000 1.345 23 I CB 0.187 38.236 38.000 0.081 0.000 1.407 23 I HN 1.101 nan 8.210 nan 0.000 0.501 24 T N 1.846 116.402 114.554 0.003 0.000 2.896 24 T HA 0.743 5.093 4.350 0.001 0.000 0.297 24 T C -0.278 174.424 174.700 0.004 0.000 1.108 24 T CA -0.993 61.100 62.100 -0.013 0.000 1.004 24 T CB 2.041 70.893 68.868 -0.027 0.000 1.159 24 T HN 0.622 nan 8.240 nan 0.000 0.499 25 A N 1.432 124.251 122.820 -0.002 0.000 2.805 25 A HA 0.699 5.020 4.320 0.001 0.000 0.301 25 A C 1.232 178.817 177.584 0.001 0.000 1.557 25 A CA 0.256 52.295 52.037 0.003 0.000 1.254 25 A CB -1.571 17.430 19.000 0.001 0.000 1.114 25 A HN 2.237 nan 8.150 nan 0.000 0.553 26 G N 3.452 112.256 108.800 0.006 0.000 2.814 26 G HA2 -0.131 3.830 3.960 0.001 0.000 0.677 26 G HA3 -0.131 3.830 3.960 0.001 0.000 0.677 26 G C -1.197 173.704 174.900 0.002 0.000 1.429 26 G CA -0.270 44.833 45.100 0.005 0.000 0.868 26 G HN 0.464 nan 8.290 nan 0.000 0.553 27 P HA -0.085 nan 4.420 nan 0.000 0.219 27 P C 1.208 178.504 177.300 -0.007 0.000 1.146 27 P CA 1.337 64.438 63.100 0.001 0.000 0.808 27 P CB 0.091 31.793 31.700 0.003 0.000 0.779 28 R N -0.723 119.771 120.500 -0.009 0.000 2.508 28 R HA 0.288 4.629 4.340 0.001 0.000 0.300 28 R C 1.231 177.520 176.300 -0.018 0.000 0.970 28 R CA -0.145 55.946 56.100 -0.014 0.000 1.102 28 R CB 0.659 30.952 30.300 -0.011 0.000 1.246 28 R HN 0.129 nan 8.270 nan 0.000 0.539 29 G N 2.497 111.287 108.800 -0.017 0.000 2.599 29 G HA2 0.255 4.215 3.960 0.001 0.000 0.264 29 G HA3 0.255 4.215 3.960 0.001 0.000 0.264 29 G C -2.166 172.716 174.900 -0.030 0.000 1.200 29 G CA -0.840 44.249 45.100 -0.018 0.000 0.896 29 G HN -0.090 nan 8.290 nan 0.000 0.536 30 P HA 0.159 nan 4.420 nan 0.000 0.272 30 P C -0.116 177.152 177.300 -0.053 0.000 1.230 30 P CA -0.327 62.749 63.100 -0.041 0.000 0.788 30 P CB 0.884 32.566 31.700 -0.030 0.000 0.949 31 V N 2.390 122.255 119.914 -0.082 0.000 2.614 31 V HA 0.039 4.159 4.120 0.001 0.000 0.291 31 V C 0.835 176.884 176.094 -0.075 0.000 1.049 31 V CA -0.200 62.031 62.300 -0.115 0.000 1.038 31 V CB 0.195 31.885 31.823 -0.222 0.000 0.980 31 V HN 0.335 nan 8.190 nan 0.000 0.481 32 L N 3.944 125.135 121.223 -0.054 0.000 2.334 32 L HA 0.290 4.631 4.340 0.001 0.000 0.277 32 L C 0.902 177.774 176.870 0.002 0.000 1.075 32 L CA 0.053 54.887 54.840 -0.011 0.000 0.804 32 L CB 1.134 43.203 42.059 0.016 0.000 1.174 32 L HN 0.563 nan 8.230 nan 0.000 0.438 33 L N 2.251 123.489 121.223 0.025 0.000 2.187 33 L HA -0.189 4.152 4.340 0.001 0.000 0.213 33 L C 2.185 179.099 176.870 0.074 0.000 1.100 33 L CA 1.592 56.462 54.840 0.051 0.000 0.765 33 L CB -0.620 41.467 42.059 0.046 0.000 0.904 33 L HN 0.897 nan 8.230 nan 0.000 0.437 34 Q N -1.569 118.274 119.800 0.070 0.000 2.515 34 Q HA 0.008 4.349 4.340 0.001 0.000 0.214 34 Q C 0.386 176.458 176.000 0.119 0.000 0.971 34 Q CA 0.479 56.339 55.803 0.095 0.000 0.952 34 Q CB -0.510 28.285 28.738 0.095 0.000 0.999 34 Q HN 0.415 nan 8.270 nan 0.000 0.524 35 S N 2.197 117.959 115.700 0.104 0.000 3.944 35 S HA -0.008 4.462 4.470 0.001 0.000 0.215 35 S C 1.034 175.738 174.600 0.173 0.000 1.220 35 S CA 0.447 58.718 58.200 0.118 0.000 0.950 35 S CB 0.112 63.343 63.200 0.051 0.000 1.615 35 S HN 0.568 nan 8.310 nan 0.000 0.466 36 T N -0.990 113.658 114.554 0.157 0.000 2.942 36 T HA -0.106 4.245 4.350 0.001 0.000 0.265 36 T C 1.476 176.287 174.700 0.185 0.000 1.062 36 T CA 0.051 62.245 62.100 0.158 0.000 1.139 36 T CB -0.397 68.563 68.868 0.154 0.000 0.883 36 T HN 0.785 nan 8.240 nan 0.000 0.468 37 W N 1.043 122.335 121.300 -0.014 0.000 2.355 37 W HA -0.194 4.467 4.660 0.001 0.000 0.309 37 W C 1.842 178.342 176.519 -0.031 0.000 1.206 37 W CA 0.760 58.070 57.345 -0.057 0.000 1.284 37 W CB -0.496 28.860 29.460 -0.172 0.000 1.145 37 W HN 0.257 nan 8.180 nan 0.000 0.502 38 F N 1.822 121.559 119.950 -0.356 0.000 2.063 38 F HA -0.323 4.205 4.527 0.001 0.000 0.298 38 F C 2.272 177.872 175.800 -0.335 0.000 1.109 38 F CA 2.657 60.401 58.000 -0.427 0.000 1.212 38 F CB -1.001 37.860 39.000 -0.232 0.000 0.973 38 F HN -0.174 nan 8.300 nan 0.000 0.480 39 L N 0.097 121.143 121.223 -0.295 0.000 2.017 39 L HA -0.231 4.110 4.340 0.001 0.000 0.208 39 L C 2.610 179.295 176.870 -0.309 0.000 1.073 39 L CA 2.019 56.678 54.840 -0.303 0.000 0.745 39 L CB -0.957 41.089 42.059 -0.021 0.000 0.894 39 L HN 0.303 nan 8.230 nan 0.000 0.432 40 E N 0.681 120.767 120.200 -0.189 0.000 2.058 40 E HA -0.309 4.042 4.350 0.001 0.000 0.194 40 E C 2.255 178.671 176.600 -0.308 0.000 0.997 40 E CA 1.629 57.967 56.400 -0.103 0.000 0.801 40 E CB 0.017 29.823 29.700 0.176 0.000 0.746 40 E HN 0.288 nan 8.360 nan 0.000 0.450 41 K N -0.007 119.937 120.400 -0.760 0.000 2.032 41 K HA -0.155 4.166 4.320 0.001 0.000 0.209 41 K C 2.233 178.523 176.600 -0.517 0.000 1.048 41 K CA 1.176 56.918 56.287 -0.909 0.000 0.927 41 K CB -0.019 31.550 32.500 -1.552 0.000 0.712 41 K HN 0.179 nan 8.250 nan 0.000 0.441 42 L N 0.557 121.399 121.223 -0.635 0.000 2.072 42 L HA -0.054 4.287 4.340 0.001 0.000 0.205 42 L C 2.559 179.310 176.870 -0.199 0.000 1.079 42 L CA 1.734 56.311 54.840 -0.438 0.000 0.752 42 L CB -1.366 40.252 42.059 -0.736 0.000 0.906 42 L HN 0.280 nan 8.230 nan 0.000 0.436 43 A N -0.157 122.524 122.820 -0.232 0.000 1.933 43 A HA -0.133 4.188 4.320 0.001 0.000 0.218 43 A C 2.501 180.036 177.584 -0.082 0.000 1.175 43 A CA 1.702 53.667 52.037 -0.120 0.000 0.628 43 A CB -0.478 18.468 19.000 -0.090 0.000 0.814 43 A HN 0.400 nan 8.150 nan 0.000 0.444 44 A N -1.105 121.665 122.820 -0.084 0.000 1.898 44 A HA 0.004 4.324 4.320 0.001 0.000 0.216 44 A C 2.038 179.593 177.584 -0.048 0.000 1.181 44 A CA 1.521 53.524 52.037 -0.057 0.000 0.620 44 A CB -0.710 18.266 19.000 -0.040 0.000 0.819 44 A HN 0.740 nan 8.150 nan 0.000 0.442 45 F N 1.412 121.257 119.950 -0.174 0.000 2.171 45 F HA -0.158 4.370 4.527 0.001 0.000 0.300 45 F C 1.376 177.096 175.800 -0.133 0.000 1.090 45 F CA 1.952 59.859 58.000 -0.155 0.000 1.293 45 F CB -0.201 38.695 39.000 -0.174 0.000 1.013 45 F HN 0.215 nan 8.300 nan 0.000 0.486 46 D N 0.243 120.550 120.400 -0.154 0.000 2.350 46 D HA -0.084 4.556 4.640 0.001 0.000 0.216 46 D C 1.518 177.680 176.300 -0.231 0.000 0.968 46 D CA 0.951 54.825 54.000 -0.209 0.000 0.894 46 D CB -0.187 40.573 40.800 -0.067 0.000 0.909 46 D HN 0.413 nan 8.370 nan 0.000 0.520 47 R N -0.066 120.308 120.500 -0.210 0.000 2.577 47 R HA 0.199 4.539 4.340 0.001 0.000 0.344 47 R C 1.224 177.402 176.300 -0.204 0.000 1.037 47 R CA -0.124 55.874 56.100 -0.170 0.000 1.102 47 R CB 0.612 30.847 30.300 -0.108 0.000 1.313 47 R HN 0.116 nan 8.270 nan 0.000 0.561 48 E N 0.846 120.869 120.200 -0.296 0.000 2.110 48 E HA -0.076 4.275 4.350 0.001 0.000 0.193 48 E C 0.258 176.682 176.600 -0.293 0.000 0.988 48 E CA 0.907 57.109 56.400 -0.330 0.000 0.804 48 E CB 0.262 29.735 29.700 -0.379 0.000 0.745 48 E HN 0.072 nan 8.360 nan 0.000 0.458 49 R N 1.320 121.695 120.500 -0.209 0.000 2.308 49 R HA 0.312 4.652 4.340 0.001 0.000 0.305 49 R C 0.431 176.708 176.300 -0.038 0.000 1.053 49 R CA -0.198 55.845 56.100 -0.095 0.000 0.957 49 R CB 0.514 30.755 30.300 -0.098 0.000 1.022 49 R HN 0.188 nan 8.270 nan 0.000 0.461 50 I N -0.465 120.140 120.570 0.059 0.000 2.982 50 I HA 0.607 4.778 4.170 0.001 0.000 0.312 50 I C -2.091 174.017 176.117 -0.016 0.000 1.041 50 I CA -2.946 58.359 61.300 0.008 0.000 1.053 50 I CB 1.401 39.430 38.000 0.049 0.000 1.248 50 I HN 0.239 nan 8.210 nan 0.000 0.471 51 P HA 0.083 nan 4.420 nan 0.000 0.266 51 P C -0.951 176.347 177.300 -0.004 0.000 1.195 51 P CA -0.074 63.004 63.100 -0.037 0.000 0.768 51 P CB 0.384 32.043 31.700 -0.069 0.000 0.838 52 E N 2.615 122.831 120.200 0.028 0.000 2.371 52 E HA 0.196 4.547 4.350 0.001 0.000 0.257 52 E C -0.438 176.186 176.600 0.041 0.000 1.134 52 E CA -0.829 55.594 56.400 0.039 0.000 0.919 52 E CB 0.625 30.355 29.700 0.050 0.000 1.025 52 E HN 0.257 nan 8.360 nan 0.000 0.438 53 R N 0.615 121.143 120.500 0.048 0.000 2.623 53 R HA -0.017 4.323 4.340 0.001 0.000 0.271 53 R C 1.028 177.365 176.300 0.061 0.000 1.043 53 R CA 0.026 56.159 56.100 0.056 0.000 1.083 53 R CB 0.830 31.178 30.300 0.081 0.000 0.974 53 R HN 0.548 nan 8.270 nan 0.000 0.436 54 V N 3.984 123.929 119.914 0.052 0.000 2.490 54 V HA -0.103 4.017 4.120 0.001 0.000 0.250 54 V C 0.504 176.626 176.094 0.047 0.000 1.061 54 V CA 1.664 63.988 62.300 0.040 0.000 1.064 54 V CB 0.259 32.096 31.823 0.023 0.000 0.670 54 V HN 0.531 nan 8.190 nan 0.000 0.461 55 V N -3.981 115.998 119.914 0.109 0.000 3.040 55 V HA 0.598 4.718 4.120 0.001 0.000 0.312 55 V C 0.182 176.432 176.094 0.260 0.000 1.115 55 V CA -0.642 61.750 62.300 0.154 0.000 0.998 55 V CB 1.466 33.457 31.823 0.280 0.000 1.042 55 V HN 0.480 nan 8.190 nan 0.000 0.433 56 H N 0.568 119.693 119.070 0.092 0.000 2.903 56 H HA -0.206 4.350 4.556 0.001 0.000 0.285 56 H C 1.491 176.866 175.328 0.078 0.000 1.231 56 H CA 0.769 56.872 56.048 0.093 0.000 1.135 56 H CB -1.218 28.593 29.762 0.083 0.000 1.328 56 H HN 1.196 nan 8.280 nan 0.000 0.388 57 A N 0.405 123.309 122.820 0.140 0.000 1.972 57 A HA -0.080 4.241 4.320 0.001 0.000 0.219 57 A C 1.484 179.152 177.584 0.139 0.000 1.169 57 A CA 1.484 53.592 52.037 0.118 0.000 0.635 57 A CB 0.083 19.130 19.000 0.078 0.000 0.810 57 A HN 0.225 nan 8.150 nan 0.000 0.446 58 K N -0.229 120.259 120.400 0.147 0.000 2.240 58 K HA 0.548 4.869 4.320 0.001 0.000 0.271 58 K C -0.045 176.691 176.600 0.227 0.000 1.018 58 K CA 0.568 56.958 56.287 0.172 0.000 0.874 58 K CB 0.911 33.496 32.500 0.142 0.000 1.098 58 K HN 0.347 nan 8.250 nan 0.000 0.458 59 G N 0.744 109.707 108.800 0.271 0.000 2.489 59 G HA2 0.525 4.485 3.960 0.001 0.000 0.305 59 G HA3 0.525 4.485 3.960 0.001 0.000 0.305 59 G C -1.535 173.575 174.900 0.349 0.000 1.311 59 G CA -0.766 44.497 45.100 0.272 0.000 0.813 59 G HN 0.492 nan 8.290 nan 0.000 0.480 60 S N -1.771 114.064 115.700 0.226 0.000 2.541 60 S HA 0.858 5.329 4.470 0.001 0.000 0.271 60 S C -0.224 174.386 174.600 0.018 0.000 1.133 60 S CA -0.123 58.259 58.200 0.304 0.000 0.876 60 S CB 1.960 65.464 63.200 0.507 0.000 1.105 60 S HN 1.583 nan 8.310 nan 0.000 0.470 61 G N 0.145 108.957 108.800 0.019 0.000 2.619 61 G HA2 0.861 4.821 3.960 0.001 0.000 0.296 61 G HA3 0.861 4.821 3.960 0.001 0.000 0.296 61 G C -1.486 173.272 174.900 -0.236 0.000 1.334 61 G CA -0.547 44.354 45.100 -0.332 0.000 0.934 61 G HN 1.038 nan 8.290 nan 0.000 0.476 62 A N -0.080 122.391 122.820 -0.582 0.000 2.594 62 A HA 0.766 5.087 4.320 0.001 0.000 0.295 62 A C -1.748 175.564 177.584 -0.454 0.000 1.071 62 A CA -0.751 51.107 52.037 -0.299 0.000 0.685 62 A CB 0.901 19.841 19.000 -0.099 0.000 1.285 62 A HN 0.667 nan 8.150 nan 0.000 0.405 63 Y N 0.277 120.581 120.300 0.006 0.000 2.335 63 Y HA 0.660 5.211 4.550 0.001 0.000 0.323 63 Y C 1.232 177.054 175.900 -0.130 0.000 1.224 63 Y CA 0.968 59.085 58.100 0.029 0.000 1.241 63 Y CB 1.811 40.339 38.460 0.114 0.000 1.235 63 Y HN 1.095 nan 8.280 nan 0.000 0.492 64 G N -0.419 108.398 108.800 0.027 0.000 2.664 64 G HA2 0.565 4.526 3.960 0.001 0.000 0.303 64 G HA3 0.565 4.526 3.960 0.001 0.000 0.303 64 G C -1.566 173.342 174.900 0.012 0.000 1.243 64 G CA -0.903 44.152 45.100 -0.075 0.000 0.826 64 G HN 0.409 nan 8.290 nan 0.000 0.498 65 T N 0.413 114.982 114.554 0.026 0.000 2.991 65 T HA 0.497 4.848 4.350 0.001 0.000 0.303 65 T C -1.659 173.180 174.700 0.231 0.000 1.015 65 T CA -0.223 61.954 62.100 0.128 0.000 1.007 65 T CB 1.732 70.639 68.868 0.065 0.000 1.034 65 T HN 0.569 nan 8.240 nan 0.000 0.446 66 F N 2.815 122.889 119.950 0.208 0.000 2.408 66 F HA 0.638 5.166 4.527 0.001 0.000 0.344 66 F C -0.204 175.718 175.800 0.202 0.000 1.112 66 F CA -0.188 57.977 58.000 0.275 0.000 1.096 66 F CB 1.163 40.413 39.000 0.415 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 T N 5.968 120.119 114.554 -0.672 0.000 2.840 67 T HA 0.375 4.726 4.350 0.001 0.000 0.287 67 T C -0.769 173.452 174.700 -0.798 0.000 0.991 67 T CA -0.574 61.219 62.100 -0.512 0.000 0.964 67 T CB 1.367 70.112 68.868 -0.205 0.000 0.954 67 T HN 0.391 nan 8.240 nan 0.000 0.438 68 V N 4.204 123.836 119.914 -0.471 0.000 2.585 68 V HA 0.164 4.285 4.120 0.001 0.000 0.296 68 V C 1.686 177.723 176.094 -0.095 0.000 1.035 68 V CA 0.500 62.697 62.300 -0.171 0.000 1.084 68 V CB 0.780 32.672 31.823 0.115 0.000 0.953 68 V HN 1.174 nan 8.190 nan 0.000 0.483 69 T N 0.922 115.445 114.554 -0.051 0.000 2.969 69 T HA 0.292 4.643 4.350 0.001 0.000 0.250 69 T C 0.487 175.188 174.700 0.001 0.000 1.021 69 T CA -0.161 61.925 62.100 -0.024 0.000 1.003 69 T CB 0.512 69.368 68.868 -0.019 0.000 1.040 69 T HN 0.418 nan 8.240 nan 0.000 0.492 70 K N 1.465 121.873 120.400 0.013 0.000 2.477 70 K HA 0.477 4.798 4.320 0.001 0.000 0.255 70 K C -1.930 174.678 176.600 0.012 0.000 0.952 70 K CA -0.600 55.691 56.287 0.007 0.000 0.826 70 K CB 2.113 34.611 32.500 -0.002 0.000 1.331 70 K HN 0.038 nan 8.250 nan 0.000 0.437 71 D N 2.390 122.791 120.400 0.001 0.000 2.359 71 D HA 0.232 4.872 4.640 0.001 0.000 0.230 71 D C 0.415 176.700 176.300 -0.026 0.000 1.118 71 D CA -0.423 53.576 54.000 -0.002 0.000 0.844 71 D CB 0.328 41.122 40.800 -0.011 0.000 1.059 71 D HN 0.540 nan 8.370 nan 0.000 0.493 72 I N 1.113 121.665 120.570 -0.029 0.000 3.856 72 I HA 0.177 4.347 4.170 0.001 0.000 0.330 72 I C 1.339 177.427 176.117 -0.049 0.000 1.546 72 I CA -0.426 60.855 61.300 -0.032 0.000 1.132 72 I CB 0.195 38.161 38.000 -0.058 0.000 1.157 72 I HN 0.156 nan 8.210 nan 0.000 0.440 73 T N -1.847 112.678 114.554 -0.049 0.000 2.977 73 T HA -0.177 4.174 4.350 0.001 0.000 0.271 73 T C 1.695 176.320 174.700 -0.126 0.000 1.105 73 T CA 1.507 63.584 62.100 -0.039 0.000 1.116 73 T CB -0.276 68.586 68.868 -0.011 0.000 0.878 73 T HN 0.584 nan 8.240 nan 0.000 0.509 74 K N 0.220 120.448 120.400 -0.287 0.000 2.113 74 K HA -0.176 4.145 4.320 0.001 0.000 0.208 74 K C 1.579 177.840 176.600 -0.565 0.000 1.047 74 K CA 1.681 57.671 56.287 -0.496 0.000 0.928 74 K CB -0.292 31.706 32.500 -0.837 0.000 0.716 74 K HN 0.651 nan 8.250 nan 0.000 0.446 75 Y N -1.140 118.972 120.300 -0.314 0.000 2.503 75 Y HA 0.113 4.664 4.550 0.001 0.000 0.277 75 Y C 0.789 176.633 175.900 -0.093 0.000 1.102 75 Y CA 0.045 57.861 58.100 -0.473 0.000 1.261 75 Y CB 1.126 39.247 38.460 -0.564 0.000 1.096 75 Y HN -0.059 nan 8.280 nan 0.000 0.546 76 T N 0.194 114.808 114.554 0.100 0.000 2.993 76 T HA 0.214 4.565 4.350 0.001 0.000 0.312 76 T C -0.146 174.610 174.700 0.093 0.000 1.115 76 T CA -0.896 61.274 62.100 0.117 0.000 1.027 76 T CB 1.267 70.223 68.868 0.147 0.000 1.116 76 T HN 0.304 nan 8.240 nan 0.000 0.464 77 K N 2.727 123.167 120.400 0.067 0.000 2.417 77 K HA 0.577 4.898 4.320 0.001 0.000 0.196 77 K C 0.755 177.370 176.600 0.025 0.000 1.023 77 K CA -0.324 55.989 56.287 0.043 0.000 1.122 77 K CB 0.235 32.749 32.500 0.023 0.000 0.850 77 K HN 0.500 nan 8.250 nan 0.000 0.521 78 A N 2.141 124.978 122.820 0.028 0.000 2.546 78 A HA 0.037 4.358 4.320 0.001 0.000 0.243 78 A C 0.809 178.343 177.584 -0.083 0.000 1.063 78 A CA -0.341 51.645 52.037 -0.086 0.000 0.757 78 A CB 0.391 19.262 19.000 -0.215 0.000 0.991 78 A HN 0.168 nan 8.150 nan 0.000 0.503 79 K N 2.373 122.710 120.400 -0.104 0.000 2.152 79 K HA -0.156 4.165 4.320 0.001 0.000 0.206 79 K C 1.641 178.194 176.600 -0.079 0.000 1.048 79 K CA 1.461 57.714 56.287 -0.057 0.000 0.933 79 K CB -0.521 31.958 32.500 -0.035 0.000 0.721 79 K HN 0.862 nan 8.250 nan 0.000 0.447 80 I N 0.055 120.479 120.570 -0.243 0.000 2.399 80 I HA -0.261 3.909 4.170 0.001 0.000 0.254 80 I C 0.750 176.787 176.117 -0.133 0.000 1.146 80 I CA 1.368 62.488 61.300 -0.299 0.000 1.412 80 I CB 0.093 37.710 38.000 -0.639 0.000 1.076 80 I HN -0.062 nan 8.210 nan 0.000 0.432 81 F N -0.180 119.818 119.950 0.081 0.000 2.678 81 F HA 0.157 4.685 4.527 0.002 0.000 0.305 81 F C 2.510 178.351 175.800 0.068 0.000 1.090 81 F CA 0.358 58.422 58.000 0.106 0.000 1.272 81 F CB -0.719 38.314 39.000 0.054 0.000 1.060 81 F HN 0.091 nan 8.300 nan 0.000 0.576 82 S N -0.334 115.477 115.700 0.184 0.000 2.474 82 S HA -0.027 4.444 4.470 0.001 0.000 0.235 82 S C 0.640 175.294 174.600 0.090 0.000 0.997 82 S CA 0.660 58.928 58.200 0.113 0.000 0.949 82 S CB -0.211 63.027 63.200 0.064 0.000 0.766 82 S HN 0.174 nan 8.310 nan 0.000 0.517 83 K N 0.844 121.305 120.400 0.100 0.000 2.525 83 K HA 0.418 4.739 4.320 0.001 0.000 0.254 83 K C -1.366 175.278 176.600 0.073 0.000 0.934 83 K CA -0.686 55.642 56.287 0.069 0.000 0.802 83 K CB 2.512 35.043 32.500 0.053 0.000 1.295 83 K HN -0.019 nan 8.250 nan 0.000 0.433 84 V N 1.476 121.420 119.914 0.050 0.000 2.599 84 V HA 0.119 4.240 4.120 0.001 0.000 0.300 84 V C 1.425 177.532 176.094 0.023 0.000 1.034 84 V CA 1.784 64.104 62.300 0.034 0.000 1.115 84 V CB 0.472 32.307 31.823 0.020 0.000 0.934 84 V HN 1.150 nan 8.190 nan 0.000 0.485 85 G N 3.640 112.444 108.800 0.006 0.000 2.175 85 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 85 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 85 G C 0.346 175.248 174.900 0.004 0.000 0.982 85 G CA 0.334 45.432 45.100 -0.004 0.000 0.641 85 G HN 0.773 nan 8.290 nan 0.000 0.527 86 K N 1.229 121.645 120.400 0.028 0.000 2.368 86 K HA 0.448 4.769 4.320 0.001 0.000 0.282 86 K C 0.269 176.900 176.600 0.052 0.000 1.035 86 K CA 0.057 56.377 56.287 0.055 0.000 0.973 86 K CB 0.221 32.776 32.500 0.091 0.000 0.957 86 K HN 0.250 nan 8.250 nan 0.000 0.474 87 K N 2.470 122.911 120.400 0.069 0.000 2.164 87 K HA 0.315 4.636 4.320 0.001 0.000 0.258 87 K C -1.052 175.647 176.600 0.164 0.000 0.951 87 K CA -0.751 55.593 56.287 0.096 0.000 0.844 87 K CB 2.145 34.684 32.500 0.065 0.000 1.099 87 K HN 0.509 nan 8.250 nan 0.000 0.435 88 T N 1.905 116.615 114.554 0.261 0.000 2.921 88 T HA 0.180 4.531 4.350 0.001 0.000 0.297 88 T C -0.806 174.089 174.700 0.325 0.000 1.013 88 T CA -0.915 61.364 62.100 0.299 0.000 0.990 88 T CB 1.487 70.574 68.868 0.365 0.000 1.023 88 T HN 0.349 nan 8.240 nan 0.000 0.447 89 E N 1.453 121.822 120.200 0.282 0.000 2.390 89 E HA 0.430 4.780 4.350 0.001 0.000 0.261 89 E C 0.207 177.040 176.600 0.389 0.000 1.076 89 E CA -0.267 56.312 56.400 0.298 0.000 0.905 89 E CB 0.845 30.695 29.700 0.251 0.000 0.984 89 E HN 0.862 nan 8.360 nan 0.000 0.427 90 C N 0.335 119.811 119.300 0.293 0.000 3.285 90 C HA 0.813 5.274 4.460 0.001 0.000 0.320 90 C C -0.962 174.139 174.990 0.185 0.000 1.411 90 C CA -1.152 57.904 59.018 0.063 0.000 1.429 90 C CB 0.902 28.510 27.740 -0.219 0.000 1.812 90 C HN 0.666 nan 8.230 nan 0.000 0.454 91 F N 1.475 121.327 119.950 -0.163 0.000 2.585 91 F HA 0.782 5.310 4.527 0.001 0.000 0.319 91 F C -1.807 173.960 175.800 -0.054 0.000 1.165 91 F CA -1.043 56.838 58.000 -0.197 0.000 0.949 91 F CB 1.205 40.049 39.000 -0.261 0.000 1.218 91 F HN 0.624 nan 8.300 nan 0.000 0.453 92 F N 5.025 124.218 119.950 -1.261 0.000 2.480 92 F HA 0.639 5.166 4.527 0.001 0.000 0.329 92 F C -0.150 174.691 175.800 -1.598 0.000 1.091 92 F CA -1.070 56.128 58.000 -1.336 0.000 0.972 92 F CB 1.951 40.091 39.000 -1.434 0.000 1.150 92 F HN 0.467 nan 8.300 nan 0.000 0.467 93 R N 2.810 122.600 120.500 -1.184 0.000 2.561 93 R HA 0.625 4.966 4.340 0.001 0.000 0.297 93 R C -1.859 173.776 176.300 -1.108 0.000 0.969 93 R CA -0.408 55.133 56.100 -0.931 0.000 0.879 93 R CB 1.111 31.206 30.300 -0.342 0.000 1.178 93 R HN 0.506 nan 8.270 nan 0.000 0.445 94 F N 1.901 121.426 119.950 -0.709 0.000 2.458 94 F HA 0.560 5.087 4.527 0.001 0.000 0.330 94 F C 0.373 175.798 175.800 -0.626 0.000 1.082 94 F CA -0.400 57.045 58.000 -0.925 0.000 0.995 94 F CB 2.262 40.203 39.000 -1.765 0.000 1.170 94 F HN 0.617 nan 8.300 nan 0.000 0.478 95 S N -0.934 114.710 115.700 -0.094 0.000 2.615 95 S HA 0.649 5.120 4.470 0.001 0.000 0.269 95 S C -0.608 174.177 174.600 0.308 0.000 1.161 95 S CA -0.921 57.385 58.200 0.176 0.000 0.817 95 S CB 1.376 64.718 63.200 0.236 0.000 1.131 95 S HN 0.692 nan 8.310 nan 0.000 0.467 96 T N -1.247 113.466 114.554 0.265 0.000 2.891 96 T HA 0.681 5.031 4.350 0.001 0.000 0.294 96 T C 0.866 175.538 174.700 -0.047 0.000 1.065 96 T CA -0.123 62.079 62.100 0.169 0.000 0.936 96 T CB 0.195 69.151 68.868 0.147 0.000 1.415 96 T HN 0.601 nan 8.240 nan 0.000 0.572 97 V N -0.378 119.460 119.914 -0.126 0.000 2.950 97 V HA 0.354 4.474 4.120 0.001 0.000 0.231 97 V C 2.686 178.680 176.094 -0.167 0.000 1.205 97 V CA 0.742 62.840 62.300 -0.335 0.000 1.239 97 V CB -0.775 30.948 31.823 -0.168 0.000 1.050 97 V HN 1.002 nan 8.190 nan 0.000 0.498 98 A N 0.434 123.191 122.820 -0.105 0.000 1.984 98 A HA 0.391 4.712 4.320 0.001 0.000 0.214 98 A C 1.577 179.104 177.584 -0.094 0.000 1.173 98 A CA 0.911 52.865 52.037 -0.137 0.000 0.673 98 A CB -0.791 18.101 19.000 -0.179 0.000 0.830 98 A HN 0.550 nan 8.150 nan 0.000 0.453 99 G N 0.449 109.218 108.800 -0.051 0.000 2.491 99 G HA2 0.416 4.377 3.960 0.001 0.000 0.238 99 G HA3 0.416 4.377 3.960 0.001 0.000 0.238 99 G C -0.259 174.638 174.900 -0.004 0.000 1.277 99 G CA -0.215 44.871 45.100 -0.024 0.000 0.851 99 G HN 0.437 nan 8.290 nan 0.000 0.573 100 E N 0.467 120.664 120.200 -0.005 0.000 2.622 100 E HA 0.293 4.643 4.350 0.001 0.000 0.255 100 E C 1.755 178.377 176.600 0.035 0.000 1.313 100 E CA -0.641 55.765 56.400 0.011 0.000 1.011 100 E CB 0.680 30.378 29.700 -0.003 0.000 1.173 100 E HN 0.468 nan 8.360 nan 0.000 0.601 101 R N 0.048 120.576 120.500 0.046 0.000 2.196 101 R HA -0.217 4.123 4.340 0.001 0.000 0.259 101 R C 1.404 177.734 176.300 0.049 0.000 1.154 101 R CA 1.833 57.970 56.100 0.061 0.000 0.976 101 R CB -0.469 29.870 30.300 0.066 0.000 0.888 101 R HN 0.627 nan 8.270 nan 0.000 0.453 102 G N -0.271 108.546 108.800 0.030 0.000 3.453 102 G HA2 0.058 4.019 3.960 0.001 0.000 0.263 102 G HA3 0.058 4.019 3.960 0.001 0.000 0.263 102 G C 0.004 174.916 174.900 0.019 0.000 1.060 102 G CA -0.073 45.039 45.100 0.020 0.000 0.793 102 G HN 0.306 nan 8.290 nan 0.000 0.532 103 S N 0.039 115.753 115.700 0.024 0.000 2.608 103 S HA 0.650 5.120 4.470 0.001 0.000 0.261 103 S C 0.597 175.216 174.600 0.031 0.000 1.314 103 S CA -0.003 58.210 58.200 0.021 0.000 0.992 103 S CB 1.558 64.769 63.200 0.018 0.000 0.935 103 S HN 0.664 nan 8.310 nan 0.000 0.564 104 A N 0.743 123.579 122.820 0.026 0.000 2.371 104 A HA 0.351 4.671 4.320 0.001 0.000 0.257 104 A C 0.725 178.336 177.584 0.046 0.000 1.089 104 A CA -0.556 51.499 52.037 0.029 0.000 0.794 104 A CB -0.141 18.870 19.000 0.018 0.000 1.029 104 A HN 0.873 nan 8.150 nan 0.000 0.488 105 D N 1.541 121.965 120.400 0.040 0.000 2.117 105 D HA 0.001 4.642 4.640 0.001 0.000 0.198 105 D C 1.182 177.493 176.300 0.018 0.000 0.982 105 D CA 1.953 55.976 54.000 0.038 0.000 0.828 105 D CB -0.151 40.639 40.800 -0.018 0.000 0.967 105 D HN 0.626 nan 8.370 nan 0.000 0.464 106 A N 1.274 124.098 122.820 0.006 0.000 3.004 106 A HA 0.447 4.768 4.320 0.001 0.000 0.286 106 A C 0.235 177.842 177.584 0.038 0.000 1.632 106 A CA -0.367 51.677 52.037 0.011 0.000 1.339 106 A CB -0.611 18.389 19.000 -0.001 0.000 1.136 106 A HN 0.038 nan 8.150 nan 0.000 0.577 107 V N -1.086 118.864 119.914 0.060 0.000 3.074 107 V HA 0.669 4.789 4.120 0.001 0.000 0.314 107 V C -0.060 176.097 176.094 0.105 0.000 1.117 107 V CA -1.451 60.893 62.300 0.074 0.000 1.014 107 V CB 1.614 33.476 31.823 0.065 0.000 1.057 107 V HN 0.635 nan 8.190 nan 0.000 0.438 108 R N 1.470 122.038 120.500 0.112 0.000 2.216 108 R HA 0.608 4.948 4.340 0.001 0.000 0.332 108 R C -1.245 175.154 176.300 0.165 0.000 1.056 108 R CA 0.166 56.354 56.100 0.147 0.000 0.901 108 R CB 0.078 30.469 30.300 0.151 0.000 1.039 108 R HN 1.015 nan 8.270 nan 0.000 0.456 109 D N 3.820 124.344 120.400 0.206 0.000 2.728 109 D HA 0.255 4.895 4.640 0.001 0.000 0.249 109 D C -2.864 173.613 176.300 0.295 0.000 1.225 109 D CA -1.283 52.857 54.000 0.233 0.000 0.748 109 D CB 2.036 42.935 40.800 0.165 0.000 1.326 109 D HN 0.217 nan 8.370 nan 0.000 0.426 110 P HA 0.337 nan 4.420 nan 0.000 0.272 110 P C -0.712 176.790 177.300 0.337 0.000 1.230 110 P CA -0.409 62.914 63.100 0.372 0.000 0.788 110 P CB 0.505 32.468 31.700 0.438 0.000 0.949 111 R N 0.889 121.614 120.500 0.374 0.000 2.562 111 R HA 0.549 4.890 4.340 0.001 0.000 0.298 111 R C 0.436 176.965 176.300 0.382 0.000 0.961 111 R CA -0.731 55.597 56.100 0.381 0.000 0.881 111 R CB 1.256 31.813 30.300 0.429 0.000 1.159 111 R HN 0.615 nan 8.270 nan 0.000 0.450 112 G N 0.925 109.951 108.800 0.376 0.000 2.483 112 G HA2 0.306 4.267 3.960 0.001 0.000 0.248 112 G HA3 0.306 4.267 3.960 0.001 0.000 0.248 112 G C -0.945 173.991 174.900 0.060 0.000 1.248 112 G CA -0.048 45.168 45.100 0.193 0.000 0.838 112 G HN 0.442 nan 8.290 nan 0.000 0.566 113 F N 1.970 121.736 119.950 -0.306 0.000 2.794 113 F HA 0.558 5.086 4.527 0.001 0.000 0.353 113 F C 0.346 175.600 175.800 -0.909 0.000 1.371 113 F CA -1.165 56.534 58.000 -0.502 0.000 1.173 113 F CB 0.618 39.422 39.000 -0.325 0.000 1.693 113 F HN 0.654 nan 8.300 nan 0.000 0.606 114 A N 4.719 126.929 122.820 -1.017 0.000 2.301 114 A HA 0.809 5.130 4.320 0.001 0.000 0.298 114 A C -0.534 176.093 177.584 -1.595 0.000 1.185 114 A CA -0.265 50.947 52.037 -1.375 0.000 0.830 114 A CB 0.500 18.360 19.000 -1.900 0.000 1.112 114 A HN 0.594 nan 8.150 nan 0.000 0.508 115 M N 2.320 121.148 119.600 -1.286 0.000 2.327 115 M HA 0.408 4.889 4.480 0.001 0.000 0.298 115 M C -0.495 175.408 176.300 -0.662 0.000 1.065 115 M CA -0.248 54.300 55.300 -1.254 0.000 0.916 115 M CB 2.547 34.174 32.600 -1.621 0.000 1.630 115 M HN 0.686 nan 8.290 nan 0.000 0.442 116 K N 2.947 123.051 120.400 -0.493 0.000 2.483 116 K HA 0.486 4.806 4.320 0.001 0.000 0.256 116 K C -2.084 174.074 176.600 -0.738 0.000 0.961 116 K CA -0.402 55.609 56.287 -0.460 0.000 0.873 116 K CB 1.118 33.399 32.500 -0.364 0.000 1.107 116 K HN 0.605 nan 8.250 nan 0.000 0.432 117 Y N 2.901 122.989 120.300 -0.353 0.000 2.328 117 Y HA 0.233 4.784 4.550 0.001 0.000 0.337 117 Y C -0.567 175.230 175.900 -0.172 0.000 1.008 117 Y CA -0.698 57.280 58.100 -0.203 0.000 1.129 117 Y CB 0.893 39.316 38.460 -0.062 0.000 1.185 117 Y HN 0.426 nan 8.280 nan 0.000 0.476 118 Y N 2.145 122.548 120.300 0.172 0.000 2.636 118 Y HA 0.166 4.716 4.550 0.001 0.000 0.334 118 Y C 0.983 176.945 175.900 0.104 0.000 1.286 118 Y CA -1.020 57.137 58.100 0.095 0.000 1.688 118 Y CB -0.384 38.112 38.460 0.059 0.000 1.662 118 Y HN 0.544 nan 8.280 nan 0.000 0.465 119 T N -2.811 111.861 114.554 0.196 0.000 2.847 119 T HA 0.203 4.554 4.350 0.001 0.000 0.279 119 T C 0.995 175.752 174.700 0.095 0.000 0.984 119 T CA -0.683 61.492 62.100 0.126 0.000 0.988 119 T CB 1.089 69.987 68.868 0.050 0.000 1.040 119 T HN 0.579 nan 8.240 nan 0.000 0.528 120 E N -0.139 120.098 120.200 0.062 0.000 2.478 120 E HA -0.002 4.349 4.350 0.001 0.000 0.198 120 E C 0.868 177.493 176.600 0.043 0.000 1.046 120 E CA 0.607 57.038 56.400 0.052 0.000 0.870 120 E CB 0.117 29.841 29.700 0.040 0.000 0.818 120 E HN 0.706 nan 8.360 nan 0.000 0.527 121 E N 0.186 120.403 120.200 0.028 0.000 2.995 121 E HA 0.280 4.631 4.350 0.001 0.000 0.203 121 E C -0.141 176.475 176.600 0.028 0.000 0.980 121 E CA -0.314 56.100 56.400 0.023 0.000 1.172 121 E CB 1.244 30.941 29.700 -0.005 0.000 1.088 121 E HN 0.197 nan 8.360 nan 0.000 0.463 122 G N 1.313 110.143 108.800 0.049 0.000 2.406 122 G HA2 -0.161 3.800 3.960 0.001 0.000 0.680 122 G HA3 -0.161 3.800 3.960 0.001 0.000 0.680 122 G C -1.085 173.861 174.900 0.076 0.000 1.338 122 G CA -1.203 43.929 45.100 0.054 0.000 0.941 122 G HN 0.062 nan 8.290 nan 0.000 0.633 123 N N 0.052 118.786 118.700 0.057 0.000 2.420 123 N HA 0.304 5.045 4.740 0.001 0.000 0.262 123 N C -0.386 175.195 175.510 0.117 0.000 1.144 123 N CA -0.105 52.971 53.050 0.044 0.000 0.952 123 N CB 0.708 39.167 38.487 -0.047 0.000 1.081 123 N HN 0.586 nan 8.380 nan 0.000 0.480 124 W N 3.892 125.154 121.300 -0.063 0.000 2.387 124 W HA 0.237 4.898 4.660 0.001 0.000 0.310 124 W C -0.900 175.595 176.519 -0.040 0.000 1.181 124 W CA -0.883 56.425 57.345 -0.062 0.000 1.333 124 W CB 0.117 29.509 29.460 -0.113 0.000 1.286 124 W HN 0.351 nan 8.180 nan 0.000 0.455 125 D N 5.981 126.346 120.400 -0.060 0.000 2.280 125 D HA 0.174 4.815 4.640 0.001 0.000 0.243 125 D C -0.891 175.105 176.300 -0.506 0.000 1.129 125 D CA -0.286 53.572 54.000 -0.237 0.000 0.848 125 D CB 1.745 42.526 40.800 -0.031 0.000 1.107 125 D HN 0.354 nan 8.370 nan 0.000 0.471 126 L N 3.887 124.635 121.223 -0.792 0.000 2.324 126 L HA 0.248 4.588 4.340 0.001 0.000 0.274 126 L C -0.899 175.591 176.870 -0.633 0.000 1.012 126 L CA -0.674 53.687 54.840 -0.797 0.000 0.859 126 L CB 1.405 42.760 42.059 -1.174 0.000 1.224 126 L HN 0.086 nan 8.230 nan 0.000 0.429 127 V N 6.004 125.648 119.914 -0.450 0.000 2.162 127 V HA 0.468 4.588 4.120 0.001 0.000 0.255 127 V C 1.188 177.058 176.094 -0.374 0.000 1.304 127 V CA 0.016 62.029 62.300 -0.478 0.000 1.198 127 V CB -0.355 31.185 31.823 -0.471 0.000 1.333 127 V HN 0.836 nan 8.190 nan 0.000 0.493 128 G N 2.648 111.190 108.800 -0.430 0.000 2.557 128 G HA2 0.476 4.436 3.960 0.001 0.000 0.292 128 G HA3 0.476 4.436 3.960 0.001 0.000 0.292 128 G C -0.440 174.361 174.900 -0.165 0.000 1.237 128 G CA -0.440 44.488 45.100 -0.286 0.000 0.978 128 G HN 0.509 nan 8.290 nan 0.000 0.498 129 N N -1.176 117.485 118.700 -0.066 0.000 2.571 129 N HA 0.192 4.932 4.740 0.001 0.000 0.273 129 N C 0.298 175.913 175.510 0.176 0.000 1.340 129 N CA -0.767 52.337 53.050 0.090 0.000 0.789 129 N CB 1.482 40.017 38.487 0.081 0.000 1.514 129 N HN 0.501 nan 8.380 nan 0.000 0.499 130 N N -0.995 117.897 118.700 0.321 0.000 2.413 130 N HA -0.006 4.735 4.740 0.001 0.000 0.207 130 N C -0.466 175.364 175.510 0.533 0.000 1.206 130 N CA 0.112 53.445 53.050 0.473 0.000 0.832 130 N CB -0.011 38.797 38.487 0.535 0.000 1.037 130 N HN 0.398 nan 8.380 nan 0.000 0.467 131 T N -0.378 114.217 114.554 0.069 0.000 2.916 131 T HA 0.391 4.742 4.350 0.001 0.000 0.305 131 T C -2.590 171.373 174.700 -1.228 0.000 1.119 131 T CA -1.646 59.867 62.100 -0.977 0.000 1.008 131 T CB 2.223 70.410 68.868 -1.135 0.000 1.129 131 T HN -0.164 nan 8.240 nan 0.000 0.480 132 P HA 0.177 nan 4.420 nan 0.000 0.245 132 P C 0.343 177.066 177.300 -0.962 0.000 1.206 132 P CA 0.258 62.519 63.100 -1.399 0.000 0.781 132 P CB -0.020 30.780 31.700 -1.500 0.000 0.994 133 V N -4.462 114.829 119.914 -1.039 0.000 3.126 133 V HA 0.713 4.834 4.120 0.001 0.000 0.314 133 V C -0.861 174.918 176.094 -0.525 0.000 1.138 133 V CA -1.345 60.486 62.300 -0.782 0.000 1.034 133 V CB 2.273 33.493 31.823 -1.005 0.000 1.075 133 V HN -0.104 nan 8.190 nan 0.000 0.442 134 F N -0.571 119.028 119.950 -0.585 0.000 2.664 134 F HA 0.653 5.180 4.527 0.001 0.000 0.329 134 F C 0.438 175.954 175.800 -0.475 0.000 1.090 134 F CA -0.994 56.696 58.000 -0.518 0.000 0.978 134 F CB 2.177 41.028 39.000 -0.248 0.000 1.378 134 F HN 0.490 nan 8.300 nan 0.000 0.495 135 F N 2.067 121.498 119.950 -0.866 0.000 2.558 135 F HA 0.162 4.690 4.527 0.001 0.000 0.298 135 F C 0.459 176.077 175.800 -0.303 0.000 1.119 135 F CA 0.385 57.998 58.000 -0.644 0.000 1.451 135 F CB -0.179 38.237 39.000 -0.973 0.000 1.091 135 F HN 0.086 nan 8.300 nan 0.000 0.563 136 I N -1.924 118.707 120.570 0.101 0.000 3.042 136 I HA 0.515 4.686 4.170 0.001 0.000 0.310 136 I C 0.450 176.635 176.117 0.113 0.000 1.117 136 I CA -1.101 60.283 61.300 0.139 0.000 1.003 136 I CB 2.409 40.580 38.000 0.284 0.000 1.228 136 I HN -0.040 nan 8.210 nan 0.000 0.443 137 R N 0.376 120.874 120.500 -0.003 0.000 2.549 137 R HA 0.389 4.730 4.340 0.001 0.000 0.344 137 R C -0.846 175.508 176.300 0.089 0.000 0.979 137 R CA -0.341 55.737 56.100 -0.038 0.000 1.140 137 R CB 0.475 30.584 30.300 -0.318 0.000 1.377 137 R HN 0.692 nan 8.270 nan 0.000 0.541 138 D N 0.507 120.984 120.400 0.128 0.000 2.629 138 D HA 0.328 4.969 4.640 0.001 0.000 0.250 138 D C 0.521 176.927 176.300 0.177 0.000 1.126 138 D CA -0.375 53.736 54.000 0.185 0.000 0.852 138 D CB 2.275 43.201 40.800 0.209 0.000 1.335 138 D HN 0.076 nan 8.370 nan 0.000 0.518 139 A N 4.187 127.094 122.820 0.146 0.000 2.076 139 A HA -0.156 4.165 4.320 0.001 0.000 0.220 139 A C 2.122 179.815 177.584 0.182 0.000 1.160 139 A CA 0.756 52.879 52.037 0.144 0.000 0.653 139 A CB -0.492 18.550 19.000 0.070 0.000 0.801 139 A HN 0.762 nan 8.150 nan 0.000 0.455 140 I N -1.142 119.519 120.570 0.152 0.000 2.567 140 I HA -0.197 3.973 4.170 0.001 0.000 0.257 140 I C 1.311 177.521 176.117 0.155 0.000 1.184 140 I CA 1.193 62.573 61.300 0.133 0.000 1.451 140 I CB 0.072 38.130 38.000 0.096 0.000 1.089 140 I HN 0.092 nan 8.210 nan 0.000 0.441 141 K N -0.060 120.466 120.400 0.211 0.000 2.426 141 K HA -0.039 4.282 4.320 0.001 0.000 0.193 141 K C 1.600 178.363 176.600 0.271 0.000 1.028 141 K CA 0.483 56.922 56.287 0.253 0.000 1.047 141 K CB -0.513 32.188 32.500 0.334 0.000 0.821 141 K HN 0.330 nan 8.250 nan 0.000 0.513 142 F N 2.883 122.911 119.950 0.131 0.000 2.095 142 F HA -0.142 4.386 4.527 0.001 0.000 0.298 142 F C -0.900 174.899 175.800 -0.002 0.000 1.104 142 F CA 1.382 59.470 58.000 0.146 0.000 1.232 142 F CB -0.565 38.504 39.000 0.115 0.000 0.987 142 F HN 0.053 nan 8.300 nan 0.000 0.475 143 P HA -0.151 nan 4.420 nan 0.000 0.216 143 P C 1.031 177.913 177.300 -0.697 0.000 1.150 143 P CA 1.829 64.648 63.100 -0.468 0.000 0.837 143 P CB -0.097 31.386 31.700 -0.363 0.000 0.786 144 D N -1.158 119.004 120.400 -0.395 0.000 2.084 144 D HA -0.174 4.466 4.640 0.001 0.000 0.194 144 D C 1.869 177.774 176.300 -0.657 0.000 0.990 144 D CA 1.078 54.866 54.000 -0.353 0.000 0.826 144 D CB -0.885 39.917 40.800 0.004 0.000 0.971 144 D HN 0.191 nan 8.370 nan 0.000 0.453 145 F N 1.616 121.006 119.950 -0.933 0.000 2.102 145 F HA -0.212 4.316 4.527 0.001 0.000 0.298 145 F C 2.223 177.510 175.800 -0.855 0.000 1.105 145 F CA 1.048 58.271 58.000 -1.295 0.000 1.239 145 F CB 0.044 38.612 39.000 -0.720 0.000 0.991 145 F HN -0.183 nan 8.300 nan 0.000 0.474 146 I N 0.607 120.583 120.570 -0.991 0.000 2.226 146 I HA -0.318 3.852 4.170 0.001 0.000 0.245 146 I C 2.368 178.137 176.117 -0.580 0.000 1.100 146 I CA 1.766 62.526 61.300 -0.900 0.000 1.374 146 I CB -1.848 35.675 38.000 -0.795 0.000 1.057 146 I HN 0.349 nan 8.210 nan 0.000 0.413 147 H N 0.445 119.185 119.070 -0.549 0.000 2.353 147 H HA -0.189 4.368 4.556 0.001 0.000 0.298 147 H C 2.298 177.342 175.328 -0.473 0.000 1.103 147 H CA 1.985 57.784 56.048 -0.415 0.000 1.293 147 H CB 0.007 29.589 29.762 -0.300 0.000 1.372 147 H HN 0.459 nan 8.280 nan 0.000 0.501 148 T N -1.120 113.134 114.554 -0.501 0.000 2.951 148 T HA -0.101 4.249 4.350 0.001 0.000 0.268 148 T C 1.804 176.115 174.700 -0.648 0.000 1.073 148 T CA 0.653 62.424 62.100 -0.549 0.000 1.134 148 T CB 0.093 68.599 68.868 -0.603 0.000 0.884 148 T HN 0.230 nan 8.240 nan 0.000 0.479 149 Q N 0.704 120.012 119.800 -0.820 0.000 2.378 149 Q HA 0.248 4.589 4.340 0.001 0.000 0.205 149 Q C 1.147 176.858 176.000 -0.481 0.000 0.954 149 Q CA 0.709 56.064 55.803 -0.748 0.000 0.901 149 Q CB 0.206 28.356 28.738 -0.979 0.000 0.981 149 Q HN 0.643 nan 8.270 nan 0.000 0.483 150 K N -0.085 120.072 120.400 -0.405 0.000 3.169 150 K HA 0.378 4.699 4.320 0.001 0.000 0.251 150 K C 0.217 176.671 176.600 -0.244 0.000 0.992 150 K CA -0.647 55.470 56.287 -0.284 0.000 1.643 150 K CB 0.638 32.993 32.500 -0.242 0.000 2.979 150 K HN -0.163 nan 8.250 nan 0.000 0.905 151 R N 1.483 121.860 120.500 -0.205 0.000 2.598 151 R HA 0.137 4.478 4.340 0.001 0.000 0.279 151 R C -0.705 175.492 176.300 -0.171 0.000 0.984 151 R CA -0.702 55.294 56.100 -0.172 0.000 0.999 151 R CB 0.932 31.149 30.300 -0.138 0.000 1.114 151 R HN 0.534 nan 8.270 nan 0.000 0.493 152 D N 3.218 123.535 120.400 -0.139 0.000 2.455 152 D HA -0.017 4.624 4.640 0.001 0.000 0.241 152 D C -1.384 174.844 176.300 -0.121 0.000 1.138 152 D CA -1.233 52.695 54.000 -0.120 0.000 0.877 152 D CB 1.202 41.952 40.800 -0.083 0.000 1.187 152 D HN 0.259 nan 8.370 nan 0.000 0.451 153 P HA -0.122 nan 4.420 nan 0.000 0.223 153 P C 1.083 178.329 177.300 -0.089 0.000 1.151 153 P CA 0.982 64.005 63.100 -0.128 0.000 0.787 153 P CB 0.424 32.038 31.700 -0.142 0.000 0.788 154 Q N 0.295 120.053 119.800 -0.070 0.000 2.159 154 Q HA -0.041 4.299 4.340 0.001 0.000 0.194 154 Q C 2.051 178.023 176.000 -0.047 0.000 0.968 154 Q CA 1.837 57.609 55.803 -0.051 0.000 0.837 154 Q CB -0.212 28.503 28.738 -0.038 0.000 0.920 154 Q HN 0.205 nan 8.270 nan 0.000 0.485 155 T N -2.163 112.362 114.554 -0.047 0.000 3.081 155 T HA 0.033 4.383 4.350 0.001 0.000 0.255 155 T C 0.720 175.391 174.700 -0.048 0.000 1.113 155 T CA 0.739 62.815 62.100 -0.040 0.000 1.082 155 T CB -0.059 68.790 68.868 -0.033 0.000 0.939 155 T HN 0.496 nan 8.240 nan 0.000 0.506 156 N N 0.063 118.725 118.700 -0.063 0.000 2.741 156 N HA -0.123 4.618 4.740 0.001 0.000 0.251 156 N C -0.876 174.592 175.510 -0.070 0.000 1.112 156 N CA 0.549 53.557 53.050 -0.070 0.000 0.750 156 N CB -1.987 36.465 38.487 -0.057 0.000 1.119 156 N HN 0.658 nan 8.380 nan 0.000 0.561 157 L N -0.099 121.081 121.223 -0.071 0.000 2.330 157 L HA 0.656 4.996 4.340 0.001 0.000 0.271 157 L C -1.814 174.996 176.870 -0.100 0.000 1.013 157 L CA -2.055 52.743 54.840 -0.071 0.000 0.816 157 L CB 1.347 43.377 42.059 -0.048 0.000 1.287 157 L HN -0.114 nan 8.230 nan 0.000 0.435 158 P HA 0.047 nan 4.420 nan 0.000 0.269 158 P C -1.202 176.005 177.300 -0.156 0.000 1.215 158 P CA -0.176 62.818 63.100 -0.176 0.000 0.780 158 P CB 0.477 32.053 31.700 -0.206 0.000 0.898 159 N N 0.497 119.079 118.700 -0.197 0.000 2.549 159 N HA 0.108 4.849 4.740 0.001 0.000 0.290 159 N C 0.277 175.726 175.510 -0.101 0.000 1.122 159 N CA -0.284 52.709 53.050 -0.095 0.000 0.885 159 N CB 0.353 38.795 38.487 -0.074 0.000 1.455 159 N HN 0.235 nan 8.380 nan 0.000 0.521 160 H N 0.400 119.458 119.070 -0.021 0.000 2.423 160 H HA 0.037 4.594 4.556 0.001 0.000 0.297 160 H C 0.020 175.465 175.328 0.196 0.000 1.075 160 H CA 1.146 57.257 56.048 0.106 0.000 1.342 160 H CB 0.221 30.126 29.762 0.239 0.000 1.395 160 H HN 0.567 nan 8.280 nan 0.000 0.530 164 W N 1.216 122.490 121.300 -0.043 0.000 2.640 164 W HA 0.093 4.754 4.660 0.001 0.000 0.268 164 W C 2.033 178.628 176.519 0.127 0.000 1.263 164 W CA 1.197 58.630 57.345 0.147 0.000 1.344 164 W CB 0.056 29.644 29.460 0.212 0.000 1.093 164 W HN 0.361 nan 8.180 nan 0.000 0.603 165 D N 0.297 120.856 120.400 0.264 0.000 2.116 165 D HA -0.277 4.363 4.640 0.001 0.000 0.193 165 D C 1.813 178.205 176.300 0.153 0.000 0.998 165 D CA 1.487 55.589 54.000 0.170 0.000 0.836 165 D CB -0.492 40.368 40.800 0.101 0.000 0.951 165 D HN 0.113 nan 8.370 nan 0.000 0.449 166 F N -0.201 119.732 119.950 -0.029 0.000 2.051 166 F HA -0.142 4.386 4.527 0.001 0.000 0.296 166 F C 2.004 177.866 175.800 0.102 0.000 1.122 166 F CA 1.502 59.479 58.000 -0.038 0.000 1.201 166 F CB -0.349 38.545 39.000 -0.176 0.000 0.978 166 F HN 0.032 nan 8.300 nan 0.000 0.472 167 W N 0.952 122.351 121.300 0.166 0.000 2.342 167 W HA -0.201 4.460 4.660 0.001 0.000 0.297 167 W C 3.023 179.588 176.519 0.077 0.000 1.213 167 W CA 1.744 59.134 57.345 0.076 0.000 1.251 167 W CB -1.909 27.604 29.460 0.088 0.000 1.136 167 W HN 0.273 nan 8.180 nan 0.000 0.526 168 S N -0.376 115.554 115.700 0.384 0.000 2.423 168 S HA -0.112 4.359 4.470 0.001 0.000 0.231 168 S C 1.385 176.108 174.600 0.206 0.000 1.014 168 S CA 1.081 59.452 58.200 0.284 0.000 0.965 168 S CB -0.593 62.712 63.200 0.175 0.000 0.785 168 S HN 0.220 nan 8.310 nan 0.000 0.495 169 N N 0.713 119.436 118.700 0.038 0.000 2.280 169 N HA 0.181 4.922 4.740 0.001 0.000 0.192 169 N C -0.616 174.765 175.510 -0.214 0.000 1.109 169 N CA 0.291 53.301 53.050 -0.067 0.000 0.855 169 N CB 1.081 39.508 38.487 -0.098 0.000 0.974 169 N HN 0.265 nan 8.380 nan 0.000 0.482 170 V N 2.954 122.698 119.914 -0.284 0.000 2.384 170 V HA 0.188 4.309 4.120 0.001 0.000 0.257 170 V C -1.765 174.094 176.094 -0.392 0.000 0.969 170 V CA -0.970 61.091 62.300 -0.397 0.000 0.910 170 V CB 1.896 33.368 31.823 -0.584 0.000 1.150 170 V HN -0.066 nan 8.190 nan 0.000 0.481 171 P HA -0.142 nan 4.420 nan 0.000 0.222 171 P C 1.374 178.189 177.300 -0.809 0.000 1.147 171 P CA 1.006 63.572 63.100 -0.890 0.000 0.790 171 P CB 0.386 31.325 31.700 -1.268 0.000 0.780 172 E N 0.990 120.722 120.200 -0.779 0.000 2.333 172 E HA -0.133 4.218 4.350 0.001 0.000 0.198 172 E C 1.626 178.100 176.600 -0.211 0.000 1.007 172 E CA 1.459 57.651 56.400 -0.347 0.000 0.845 172 E CB -1.145 28.431 29.700 -0.206 0.000 0.766 172 E HN 0.350 nan 8.360 nan 0.000 0.507 173 S N 0.788 116.363 115.700 -0.209 0.000 2.500 173 S HA -0.124 4.347 4.470 0.001 0.000 0.239 173 S C 1.938 176.449 174.600 -0.149 0.000 0.989 173 S CA 0.657 58.777 58.200 -0.133 0.000 0.951 173 S CB -0.474 62.703 63.200 -0.037 0.000 0.759 173 S HN 0.199 nan 8.310 nan 0.000 0.523 174 L N 0.813 121.974 121.223 -0.103 0.000 2.043 174 L HA -0.081 4.259 4.340 0.001 0.000 0.212 174 L C 2.289 179.253 176.870 0.156 0.000 1.075 174 L CA 1.816 56.676 54.840 0.033 0.000 0.752 174 L CB -1.290 40.820 42.059 0.085 0.000 0.891 174 L HN 0.365 nan 8.230 nan 0.000 0.432 175 Y N 0.064 120.336 120.300 -0.047 0.000 2.097 175 Y HA -0.308 4.243 4.550 0.001 0.000 0.282 175 Y C 2.814 178.626 175.900 -0.148 0.000 1.152 175 Y CA 2.165 60.231 58.100 -0.056 0.000 1.136 175 Y CB -0.700 37.678 38.460 -0.137 0.000 0.975 175 Y HN 0.414 nan 8.280 nan 0.000 0.498 176 Q N -0.168 119.510 119.800 -0.203 0.000 2.172 176 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 176 Q C 2.227 178.041 176.000 -0.311 0.000 0.964 176 Q CA 1.675 57.147 55.803 -0.551 0.000 0.855 176 Q CB -0.680 27.288 28.738 -1.283 0.000 0.918 176 Q HN 0.324 nan 8.270 nan 0.000 0.444 177 V N 0.226 120.025 119.914 -0.192 0.000 2.282 177 V HA -0.325 3.796 4.120 0.001 0.000 0.249 177 V C 2.121 178.333 176.094 0.197 0.000 1.057 177 V CA 2.326 64.564 62.300 -0.104 0.000 1.032 177 V CB -1.030 30.624 31.823 -0.282 0.000 0.645 177 V HN 0.475 nan 8.190 nan 0.000 0.447 178 T N -1.192 113.563 114.554 0.334 0.000 2.777 178 T HA -0.221 4.130 4.350 0.001 0.000 0.266 178 T C 1.543 176.523 174.700 0.467 0.000 1.040 178 T CA 1.580 63.976 62.100 0.492 0.000 1.141 178 T CB -0.306 68.943 68.868 0.635 0.000 0.868 178 T HN 0.675 nan 8.240 nan 0.000 0.444 179 W N 2.115 123.513 121.300 0.162 0.000 2.378 179 W HA 0.021 4.681 4.660 0.001 0.000 0.313 179 W C 1.270 177.853 176.519 0.106 0.000 1.197 179 W CA 0.600 57.989 57.345 0.073 0.000 1.304 179 W CB -0.742 28.586 29.460 -0.220 0.000 1.148 179 W HN -0.001 nan 8.180 nan 0.000 0.494 183 D N 0.733 120.986 120.400 -0.246 0.000 2.221 183 D HA -0.029 4.611 4.640 0.001 0.000 0.204 183 D C 1.840 178.052 176.300 -0.146 0.000 0.982 183 D CA 0.858 54.663 54.000 -0.324 0.000 0.857 183 D CB -0.242 40.176 40.800 -0.637 0.000 0.934 183 D HN 0.347 nan 8.370 nan 0.000 0.475 184 R N 0.401 120.785 120.500 -0.193 0.000 2.159 184 R HA -0.068 4.272 4.340 0.001 0.000 0.237 184 R C 2.240 178.575 176.300 0.059 0.000 1.131 184 R CA 0.942 56.958 56.100 -0.139 0.000 0.982 184 R CB -0.933 28.982 30.300 -0.641 0.000 0.868 184 R HN 0.230 nan 8.270 nan 0.000 0.453 185 G N 1.131 109.971 108.800 0.067 0.000 2.450 185 G HA2 -0.140 3.820 3.960 0.001 0.000 0.220 185 G HA3 -0.140 3.820 3.960 0.001 0.000 0.220 185 G C 0.838 175.843 174.900 0.175 0.000 1.130 185 G CA 0.401 45.600 45.100 0.165 0.000 0.760 185 G HN 0.268 nan 8.290 nan 0.000 0.557 186 I N 1.910 122.567 120.570 0.146 0.000 2.521 186 I HA 0.269 4.440 4.170 0.001 0.000 0.277 186 I C -2.535 173.674 176.117 0.154 0.000 1.054 186 I CA -2.245 59.142 61.300 0.146 0.000 1.117 186 I CB 2.451 40.523 38.000 0.120 0.000 1.217 186 I HN -0.139 nan 8.210 nan 0.000 0.469 187 P HA 0.084 nan 4.420 nan 0.000 0.272 187 P C 0.470 177.822 177.300 0.086 0.000 1.230 187 P CA -0.403 62.795 63.100 0.163 0.000 0.788 187 P CB 1.400 33.230 31.700 0.216 0.000 0.949 188 K N 0.831 121.262 120.400 0.052 0.000 2.097 188 K HA -0.047 4.273 4.320 0.001 0.000 0.206 188 K C 0.565 177.167 176.600 0.003 0.000 1.049 188 K CA 1.269 57.534 56.287 -0.038 0.000 0.933 188 K CB 0.051 32.428 32.500 -0.206 0.000 0.717 188 K HN 0.684 nan 8.250 nan 0.000 0.442 189 S N -2.875 112.882 115.700 0.095 0.000 2.661 189 S HA 0.191 4.661 4.470 0.001 0.000 0.268 189 S C 0.446 175.058 174.600 0.020 0.000 1.162 189 S CA -0.937 57.251 58.200 -0.021 0.000 0.817 189 S CB -0.284 62.963 63.200 0.078 0.000 1.141 189 S HN 0.087 nan 8.310 nan 0.000 0.477 190 F N 1.030 120.966 119.950 -0.024 0.000 2.333 190 F HA 0.015 4.543 4.527 0.001 0.000 0.300 190 F C 2.595 178.284 175.800 -0.185 0.000 1.083 190 F CA 0.663 58.510 58.000 -0.254 0.000 1.395 190 F CB -0.153 38.463 39.000 -0.640 0.000 1.056 190 F HN 0.388 nan 8.300 nan 0.000 0.529 191 R N -0.659 119.876 120.500 0.059 0.000 2.280 191 R HA -0.066 4.274 4.340 0.001 0.000 0.207 191 R C 0.195 176.292 176.300 -0.338 0.000 1.043 191 R CA 0.806 56.820 56.100 -0.144 0.000 1.006 191 R CB -0.372 29.728 30.300 -0.334 0.000 0.885 191 R HN 0.398 nan 8.270 nan 0.000 0.467 192 H N -0.251 118.881 119.070 0.103 0.000 2.467 192 H HA 0.234 4.790 4.556 0.001 0.000 0.275 192 H C -0.105 175.338 175.328 0.192 0.000 1.131 192 H CA -0.364 55.739 56.048 0.091 0.000 0.989 192 H CB 0.324 30.113 29.762 0.044 0.000 1.696 192 H HN 0.084 nan 8.280 nan 0.000 0.574 193 M N -1.750 118.088 119.600 0.397 0.000 2.619 193 M HA 0.541 5.021 4.480 0.001 0.000 0.297 193 M C -1.471 175.217 176.300 0.647 0.000 1.229 193 M CA -1.101 54.485 55.300 0.476 0.000 0.860 193 M CB 2.682 35.570 32.600 0.480 0.000 1.741 193 M HN -0.247 nan 8.290 nan 0.000 0.462 194 D N 0.834 121.548 120.400 0.523 0.000 2.387 194 D HA 0.735 5.376 4.640 0.001 0.000 0.251 194 D C -0.363 175.937 176.300 -0.001 0.000 1.141 194 D CA 0.129 54.342 54.000 0.355 0.000 0.987 194 D CB 1.810 42.740 40.800 0.217 0.000 1.116 194 D HN 0.876 nan 8.370 nan 0.000 0.491 195 G N -0.496 107.845 108.800 -0.765 0.000 2.563 195 G HA2 0.637 4.598 3.960 0.001 0.000 0.302 195 G HA3 0.637 4.598 3.960 0.001 0.000 0.302 195 G C -1.560 172.639 174.900 -1.168 0.000 1.301 195 G CA -0.540 43.620 45.100 -1.566 0.000 0.965 195 G HN 0.253 nan 8.290 nan 0.000 0.480 196 F N -0.423 119.280 119.950 -0.412 0.000 2.601 196 F HA 0.500 5.028 4.527 0.001 0.000 0.309 196 F C 1.177 176.857 175.800 -0.200 0.000 1.089 196 F CA -0.448 57.409 58.000 -0.238 0.000 0.940 196 F CB 2.514 41.310 39.000 -0.340 0.000 1.273 196 F HN 0.615 nan 8.300 nan 0.000 0.450 197 G N 0.155 109.046 108.800 0.151 0.000 2.484 197 G HA2 0.121 4.081 3.960 0.001 0.000 0.218 197 G HA3 0.121 4.081 3.960 0.001 0.000 0.218 197 G C 0.909 175.895 174.900 0.143 0.000 1.130 197 G CA 0.924 46.146 45.100 0.203 0.000 0.784 197 G HN 0.743 nan 8.290 nan 0.000 0.543 198 S N -0.818 114.856 115.700 -0.043 0.000 1.694 198 S HA -0.252 4.218 4.470 0.001 0.000 0.236 198 S C 0.824 175.226 174.600 -0.330 0.000 0.821 198 S CA 1.404 59.408 58.200 -0.326 0.000 1.530 198 S CB -1.330 61.570 63.200 -0.501 0.000 1.703 198 S HN 0.698 nan 8.310 nan 0.000 0.517 199 H N 2.682 121.711 119.070 -0.069 0.000 2.771 199 H HA 0.260 4.817 4.556 0.001 0.000 0.364 199 H C 0.568 175.774 175.328 -0.202 0.000 1.133 199 H CA 0.882 56.799 56.048 -0.218 0.000 1.423 199 H CB -0.067 29.420 29.762 -0.458 0.000 1.425 199 H HN 0.396 nan 8.280 nan 0.000 0.606 200 T N 3.798 118.298 114.554 -0.091 0.000 2.902 200 T HA 0.104 4.455 4.350 0.001 0.000 0.301 200 T C 0.311 174.955 174.700 -0.093 0.000 1.012 200 T CA 0.479 62.562 62.100 -0.028 0.000 1.151 200 T CB -0.237 68.715 68.868 0.139 0.000 0.946 200 T HN 0.245 nan 8.240 nan 0.000 0.542 201 F N 0.619 120.723 119.950 0.258 0.000 2.697 201 F HA 0.630 5.157 4.527 0.001 0.000 0.386 201 F C 0.857 176.903 175.800 0.409 0.000 1.154 201 F CA -1.034 57.175 58.000 0.348 0.000 1.108 201 F CB 1.237 40.493 39.000 0.428 0.000 1.429 201 F HN 0.510 nan 8.300 nan 0.000 0.509 202 S N 0.445 116.461 115.700 0.526 0.000 2.536 202 S HA 0.836 5.307 4.470 0.001 0.000 0.298 202 S C -1.295 173.413 174.600 0.180 0.000 1.083 202 S CA -0.831 57.544 58.200 0.290 0.000 0.995 202 S CB 1.563 64.811 63.200 0.081 0.000 1.058 202 S HN 0.504 nan 8.310 nan 0.000 0.488 203 L N 2.091 123.392 121.223 0.130 0.000 2.346 203 L HA 0.629 4.970 4.340 0.001 0.000 0.274 203 L C -0.927 176.033 176.870 0.149 0.000 1.007 203 L CA -1.022 53.898 54.840 0.133 0.000 0.818 203 L CB 1.559 43.704 42.059 0.144 0.000 1.284 203 L HN 0.553 nan 8.230 nan 0.000 0.424 204 I N 2.499 123.130 120.570 0.101 0.000 2.466 204 I HA 0.300 4.471 4.170 0.001 0.000 0.289 204 I C -0.421 175.765 176.117 0.114 0.000 1.026 204 I CA -0.622 60.724 61.300 0.077 0.000 1.078 204 I CB 1.603 39.598 38.000 -0.008 0.000 1.249 204 I HN 0.651 nan 8.210 nan 0.000 0.429 205 N N 4.748 123.547 118.700 0.164 0.000 2.491 205 N HA 0.409 5.150 4.740 0.001 0.000 0.279 205 N C 0.695 176.246 175.510 0.068 0.000 1.236 205 N CA -0.463 52.666 53.050 0.131 0.000 0.982 205 N CB 0.725 39.322 38.487 0.184 0.000 1.194 205 N HN 0.525 nan 8.380 nan 0.000 0.582 206 A N -0.461 122.387 122.820 0.046 0.000 2.067 206 A HA -0.095 4.226 4.320 0.001 0.000 0.219 206 A C 1.473 179.070 177.584 0.021 0.000 1.158 206 A CA 0.847 52.899 52.037 0.025 0.000 0.661 206 A CB -0.499 18.511 19.000 0.016 0.000 0.801 206 A HN 0.624 nan 8.150 nan 0.000 0.452 207 K N -0.878 119.540 120.400 0.030 0.000 2.439 207 K HA 0.064 4.384 4.320 0.001 0.000 0.197 207 K C 1.186 177.792 176.600 0.010 0.000 1.041 207 K CA 0.791 57.090 56.287 0.021 0.000 0.970 207 K CB -0.609 31.908 32.500 0.027 0.000 0.773 207 K HN 0.892 nan 8.250 nan 0.000 0.479 208 G N 2.108 110.914 108.800 0.011 0.000 2.137 208 G HA2 -0.274 3.687 3.960 0.001 0.000 0.237 208 G HA3 -0.274 3.687 3.960 0.001 0.000 0.237 208 G C -0.549 174.322 174.900 -0.047 0.000 1.002 208 G CA 0.083 45.175 45.100 -0.013 0.000 0.702 208 G HN 0.450 nan 8.290 nan 0.000 0.515 209 E N -0.210 119.963 120.200 -0.045 0.000 2.331 209 E HA 0.490 4.840 4.350 0.001 0.000 0.272 209 E C 0.519 176.926 176.600 -0.321 0.000 1.036 209 E CA -0.625 55.658 56.400 -0.195 0.000 0.864 209 E CB 1.208 30.787 29.700 -0.202 0.000 1.035 209 E HN 0.366 nan 8.360 nan 0.000 0.408 210 R N 2.714 122.887 120.500 -0.544 0.000 2.407 210 R HA 0.413 4.754 4.340 0.001 0.000 0.303 210 R C -1.394 174.293 176.300 -1.022 0.000 0.981 210 R CA -0.404 55.340 56.100 -0.595 0.000 0.905 210 R CB 0.590 30.548 30.300 -0.569 0.000 1.099 210 R HN 0.388 nan 8.270 nan 0.000 0.459 211 F N 2.736 122.494 119.950 -0.319 0.000 2.540 211 F HA 0.403 4.931 4.527 0.000 0.000 0.317 211 F C -0.702 174.938 175.800 -0.266 0.000 1.104 211 F CA -0.701 57.122 58.000 -0.295 0.000 0.913 211 F CB 1.138 40.061 39.000 -0.129 0.000 1.170 211 F HN 0.456 nan 8.300 nan 0.000 0.450 212 W N 2.672 124.081 121.300 0.183 0.000 2.218 212 W HA 0.610 5.271 4.660 0.001 0.000 0.326 212 W C -0.425 176.275 176.519 0.302 0.000 1.276 212 W CA -0.797 56.700 57.345 0.252 0.000 1.210 212 W CB 0.966 30.591 29.460 0.274 0.000 1.143 212 W HN 0.295 nan 8.180 nan 0.000 0.563 213 V N 3.980 124.164 119.914 0.449 0.000 2.876 213 V HA 0.517 4.637 4.120 0.001 0.000 0.312 213 V C -0.886 175.043 176.094 -0.276 0.000 1.085 213 V CA -1.178 61.131 62.300 0.016 0.000 0.945 213 V CB 2.065 33.730 31.823 -0.264 0.000 1.017 213 V HN 0.383 nan 8.190 nan 0.000 0.428 214 K N 4.480 124.578 120.400 -0.504 0.000 2.324 214 K HA 0.550 4.871 4.320 0.001 0.000 0.253 214 K C -1.521 174.871 176.600 -0.346 0.000 0.932 214 K CA -0.202 55.806 56.287 -0.466 0.000 0.799 214 K CB 1.984 34.155 32.500 -0.548 0.000 1.154 214 K HN 0.523 nan 8.250 nan 0.000 0.425 215 F N 2.118 122.085 119.950 0.029 0.000 2.436 215 F HA 0.347 4.875 4.527 0.002 0.000 0.340 215 F C 0.796 176.536 175.800 -0.100 0.000 1.113 215 F CA -0.414 57.583 58.000 -0.004 0.000 1.022 215 F CB 1.136 40.159 39.000 0.039 0.000 1.128 215 F HN 0.269 nan 8.300 nan 0.000 0.466 216 H N 3.546 122.542 119.070 -0.122 0.000 2.589 216 H HA 0.382 4.939 4.556 0.001 0.000 0.351 216 H C -1.478 173.525 175.328 -0.541 0.000 1.074 216 H CA -0.734 55.161 56.048 -0.256 0.000 1.203 216 H CB 2.066 31.696 29.762 -0.220 0.000 1.558 216 H HN 0.404 nan 8.280 nan 0.000 0.522 217 F N 2.018 121.763 119.950 -0.342 0.000 2.403 217 F HA 0.248 4.775 4.527 0.002 0.000 0.355 217 F C 0.422 176.311 175.800 0.148 0.000 1.119 217 F CA -0.512 57.419 58.000 -0.116 0.000 1.007 217 F CB 0.959 39.801 39.000 -0.264 0.000 1.194 217 F HN 0.451 nan 8.300 nan 0.000 0.443 218 H N 0.853 120.114 119.070 0.318 0.000 2.519 218 H HA 0.193 4.749 4.556 0.001 0.000 0.316 218 H C 0.268 175.771 175.328 0.292 0.000 1.065 218 H CA -0.830 55.382 56.048 0.275 0.000 1.264 218 H CB 1.620 31.482 29.762 0.168 0.000 1.413 218 H HN 0.499 nan 8.280 nan 0.000 0.465 219 T N 3.514 118.267 114.554 0.330 0.000 2.867 219 T HA -0.035 4.316 4.350 0.001 0.000 0.297 219 T C 1.298 175.909 174.700 -0.149 0.000 0.989 219 T CA -0.181 61.797 62.100 -0.202 0.000 1.159 219 T CB 0.242 69.016 68.868 -0.158 0.000 0.928 219 T HN 0.622 nan 8.240 nan 0.000 0.538 220 M N 3.753 123.195 119.600 -0.264 0.000 2.618 220 M HA 0.044 4.525 4.480 0.001 0.000 0.240 220 M C 1.445 177.659 176.300 -0.143 0.000 1.123 220 M CA 0.537 55.760 55.300 -0.127 0.000 1.060 220 M CB 0.109 32.664 32.600 -0.075 0.000 1.535 220 M HN 0.582 nan 8.290 nan 0.000 0.507 221 Q N 0.205 119.866 119.800 -0.231 0.000 2.319 221 Q HA 0.314 4.655 4.340 0.001 0.000 0.202 221 Q C 0.474 176.488 176.000 0.024 0.000 0.896 221 Q CA 0.244 55.945 55.803 -0.170 0.000 0.942 221 Q CB 0.737 29.216 28.738 -0.432 0.000 1.083 221 Q HN 0.487 nan 8.270 nan 0.000 0.510 222 G N -0.298 108.521 108.800 0.032 0.000 2.895 222 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 222 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 222 G C -0.724 174.292 174.900 0.194 0.000 1.108 222 G CA -0.690 44.477 45.100 0.112 0.000 0.761 222 G HN 0.039 nan 8.290 nan 0.000 0.611 223 V N 3.318 123.319 119.914 0.144 0.000 2.479 223 V HA 0.480 4.600 4.120 0.001 0.000 0.281 223 V C 0.780 176.952 176.094 0.130 0.000 1.031 223 V CA 0.495 62.896 62.300 0.170 0.000 1.038 223 V CB 0.843 32.750 31.823 0.140 0.000 0.981 223 V HN 0.772 nan 8.190 nan 0.000 0.478 224 K N 4.327 124.801 120.400 0.123 0.000 2.512 224 K HA 0.623 4.944 4.320 0.001 0.000 0.263 224 K C -1.061 175.563 176.600 0.040 0.000 0.966 224 K CA -0.915 55.363 56.287 -0.014 0.000 0.851 224 K CB 2.744 35.089 32.500 -0.257 0.000 1.395 224 K HN 0.949 nan 8.250 nan 0.000 0.440 225 H N 0.386 119.433 119.070 -0.037 0.000 2.946 225 H HA 0.533 5.090 4.556 0.001 0.000 0.365 225 H C -1.349 173.962 175.328 -0.029 0.000 1.197 225 H CA -1.015 55.025 56.048 -0.013 0.000 1.131 225 H CB 1.212 30.965 29.762 -0.014 0.000 1.849 225 H HN 0.342 nan 8.280 nan 0.000 0.555 226 L N 1.928 123.202 121.223 0.085 0.000 2.329 226 L HA 0.299 4.640 4.340 0.001 0.000 0.279 226 L C 0.860 177.859 176.870 0.215 0.000 1.014 226 L CA -1.006 53.869 54.840 0.057 0.000 0.814 226 L CB 2.049 44.127 42.059 0.033 0.000 1.257 226 L HN 0.830 nan 8.230 nan 0.000 0.424 227 T N -2.073 112.590 114.554 0.182 0.000 2.802 227 T HA 0.062 4.412 4.350 0.001 0.000 0.305 227 T C 1.112 175.869 174.700 0.094 0.000 1.053 227 T CA -0.581 61.606 62.100 0.145 0.000 1.058 227 T CB 0.653 69.586 68.868 0.108 0.000 0.988 227 T HN 0.516 nan 8.240 nan 0.000 0.539 228 N N 1.349 120.100 118.700 0.085 0.000 2.091 228 N HA -0.148 4.592 4.740 0.001 0.000 0.193 228 N C 1.699 177.247 175.510 0.063 0.000 1.021 228 N CA 1.751 54.848 53.050 0.078 0.000 0.862 228 N CB -0.431 38.105 38.487 0.083 0.000 1.018 228 N HN 0.724 nan 8.380 nan 0.000 0.429 229 E N 0.951 121.186 120.200 0.058 0.000 2.072 229 E HA -0.080 4.270 4.350 0.001 0.000 0.191 229 E C 1.924 178.542 176.600 0.031 0.000 0.985 229 E CA 0.850 57.276 56.400 0.044 0.000 0.801 229 E CB -0.200 29.526 29.700 0.043 0.000 0.750 229 E HN 0.489 nan 8.360 nan 0.000 0.452 230 E N 0.539 120.758 120.200 0.031 0.000 2.077 230 E HA -0.146 4.204 4.350 0.001 0.000 0.193 230 E C 2.043 178.651 176.600 0.014 0.000 0.989 230 E CA 1.022 57.431 56.400 0.016 0.000 0.800 230 E CB -0.185 29.518 29.700 0.005 0.000 0.746 230 E HN 0.277 nan 8.360 nan 0.000 0.452 231 A N 1.510 124.345 122.820 0.026 0.000 1.883 231 A HA -0.172 4.149 4.320 0.001 0.000 0.217 231 A C 2.418 180.009 177.584 0.012 0.000 1.186 231 A CA 1.811 53.862 52.037 0.023 0.000 0.624 231 A CB -0.817 18.208 19.000 0.043 0.000 0.822 231 A HN 0.304 nan 8.150 nan 0.000 0.444 232 A N -0.566 122.263 122.820 0.015 0.000 1.940 232 A HA -0.172 4.148 4.320 0.001 0.000 0.219 232 A C 1.956 179.520 177.584 -0.032 0.000 1.176 232 A CA 1.803 53.840 52.037 -0.001 0.000 0.631 232 A CB -0.422 18.585 19.000 0.012 0.000 0.814 232 A HN 0.477 nan 8.150 nan 0.000 0.446 233 E N -0.070 120.116 120.200 -0.025 0.000 2.072 233 E HA -0.143 4.208 4.350 0.001 0.000 0.191 233 E C 1.978 178.549 176.600 -0.049 0.000 0.985 233 E CA 1.101 57.474 56.400 -0.044 0.000 0.801 233 E CB -0.448 29.248 29.700 -0.006 0.000 0.750 233 E HN 0.729 nan 8.360 nan 0.000 0.452 234 I N 0.872 121.434 120.570 -0.014 0.000 2.163 234 I HA -0.295 3.875 4.170 0.001 0.000 0.243 234 I C 2.651 178.759 176.117 -0.015 0.000 1.085 234 I CA 1.233 62.534 61.300 0.002 0.000 1.347 234 I CB -0.228 37.774 38.000 0.003 0.000 1.044 234 I HN -0.001 nan 8.210 nan 0.000 0.408 235 R N 1.130 121.613 120.500 -0.029 0.000 2.091 235 R HA -0.212 4.129 4.340 0.001 0.000 0.238 235 R C 2.293 178.560 176.300 -0.055 0.000 1.136 235 R CA 1.741 57.825 56.100 -0.026 0.000 0.959 235 R CB -0.429 29.858 30.300 -0.021 0.000 0.856 235 R HN 0.493 nan 8.270 nan 0.000 0.437 236 K N -0.220 120.101 120.400 -0.133 0.000 2.283 236 K HA -0.156 4.165 4.320 0.001 0.000 0.202 236 K C 0.810 177.262 176.600 -0.246 0.000 1.048 236 K CA 1.744 57.898 56.287 -0.221 0.000 0.948 236 K CB -0.070 32.234 32.500 -0.327 0.000 0.742 236 K HN 0.432 nan 8.250 nan 0.000 0.458 237 H N -1.026 118.047 119.070 0.005 0.000 2.705 237 H HA 0.177 4.734 4.556 0.001 0.000 0.269 237 H C -0.665 174.663 175.328 -0.000 0.000 0.998 237 H CA -0.212 55.838 56.048 0.002 0.000 1.193 237 H CB 0.886 30.649 29.762 0.002 0.000 1.485 237 H HN 0.183 nan 8.280 nan 0.000 0.521 238 D N -0.050 120.402 120.400 0.088 0.000 2.362 238 D HA 0.051 4.692 4.640 0.001 0.000 0.232 238 D C -2.349 173.966 176.300 0.025 0.000 1.329 238 D CA -1.642 52.390 54.000 0.053 0.000 0.944 238 D CB 1.263 42.093 40.800 0.052 0.000 1.471 238 D HN -0.064 nan 8.370 nan 0.000 0.533 239 P HA 0.110 nan 4.420 nan 0.000 0.242 239 P C -0.138 177.171 177.300 0.015 0.000 1.197 239 P CA 0.436 63.544 63.100 0.014 0.000 0.765 239 P CB 0.484 32.192 31.700 0.013 0.000 0.936 240 D N -0.687 119.720 120.400 0.011 0.000 2.559 240 D HA 0.041 4.682 4.640 0.001 0.000 0.234 240 D C 1.395 177.698 176.300 0.006 0.000 1.226 240 D CA 0.206 54.213 54.000 0.011 0.000 0.830 240 D CB 0.412 41.210 40.800 -0.003 0.000 1.028 240 D HN 0.190 nan 8.370 nan 0.000 0.492 241 S N 0.400 116.093 115.700 -0.012 0.000 2.399 241 S HA -0.143 4.327 4.470 0.001 0.000 0.231 241 S C 1.614 176.176 174.600 -0.064 0.000 1.022 241 S CA 0.740 58.925 58.200 -0.026 0.000 0.983 241 S CB 0.054 63.235 63.200 -0.031 0.000 0.803 241 S HN 0.105 nan 8.310 nan 0.000 0.480 242 N N 1.367 119.979 118.700 -0.147 0.000 2.333 242 N HA 0.024 4.765 4.740 0.001 0.000 0.178 242 N C 1.838 177.325 175.510 -0.039 0.000 1.018 242 N CA 1.131 53.980 53.050 -0.334 0.000 0.882 242 N CB -0.547 37.299 38.487 -1.067 0.000 0.984 242 N HN 0.570 nan 8.380 nan 0.000 0.434 243 Q N 1.747 121.615 119.800 0.114 0.000 2.050 243 Q HA -0.030 4.311 4.340 0.001 0.000 0.202 243 Q C 2.071 178.193 176.000 0.202 0.000 0.980 243 Q CA 1.481 57.427 55.803 0.237 0.000 0.840 243 Q CB -0.168 28.672 28.738 0.171 0.000 0.898 243 Q HN 0.238 nan 8.270 nan 0.000 0.424 244 R N 0.171 120.741 120.500 0.115 0.000 2.073 244 R HA -0.172 4.168 4.340 0.001 0.000 0.234 244 R C 2.080 178.475 176.300 0.159 0.000 1.134 244 R CA 1.835 58.009 56.100 0.123 0.000 0.952 244 R CB -0.620 29.718 30.300 0.062 0.000 0.850 244 R HN 0.564 nan 8.270 nan 0.000 0.433 245 D N 0.214 120.675 120.400 0.102 0.000 2.092 245 D HA -0.211 4.429 4.640 0.001 0.000 0.193 245 D C 1.964 178.350 176.300 0.144 0.000 0.994 245 D CA 1.431 55.488 54.000 0.094 0.000 0.828 245 D CB 0.030 40.851 40.800 0.035 0.000 0.963 245 D HN 0.229 nan 8.370 nan 0.000 0.450 246 L N 0.142 121.482 121.223 0.196 0.000 1.994 246 L HA -0.105 4.235 4.340 0.001 0.000 0.208 246 L C 2.407 179.419 176.870 0.237 0.000 1.071 246 L CA 1.552 56.541 54.840 0.247 0.000 0.745 246 L CB -1.187 41.096 42.059 0.374 0.000 0.892 246 L HN 0.058 nan 8.230 nan 0.000 0.431 247 F N 0.708 120.758 119.950 0.167 0.000 2.065 247 F HA -0.305 4.223 4.527 0.001 0.000 0.298 247 F C 2.176 178.049 175.800 0.122 0.000 1.112 247 F CA 2.286 60.375 58.000 0.149 0.000 1.212 247 F CB -0.400 38.683 39.000 0.138 0.000 0.975 247 F HN 0.244 nan 8.300 nan 0.000 0.476 248 D N 0.191 120.774 120.400 0.305 0.000 2.117 248 D HA -0.123 4.518 4.640 0.001 0.000 0.198 248 D C 2.379 178.719 176.300 0.066 0.000 0.982 248 D CA 1.405 55.517 54.000 0.187 0.000 0.828 248 D CB -0.795 40.109 40.800 0.173 0.000 0.967 248 D HN 0.374 nan 8.370 nan 0.000 0.464 249 A N 0.694 123.557 122.820 0.070 0.000 1.883 249 A HA -0.158 4.163 4.320 0.001 0.000 0.217 249 A C 2.359 179.954 177.584 0.018 0.000 1.186 249 A CA 1.071 53.130 52.037 0.036 0.000 0.624 249 A CB -0.747 18.285 19.000 0.053 0.000 0.822 249 A HN 0.206 nan 8.150 nan 0.000 0.444 250 I N -0.383 120.212 120.570 0.042 0.000 2.252 250 I HA -0.219 3.951 4.170 0.001 0.000 0.245 250 I C 2.945 179.072 176.117 0.017 0.000 1.102 250 I CA 0.875 62.243 61.300 0.114 0.000 1.385 250 I CB -0.334 37.712 38.000 0.077 0.000 1.064 250 I HN 0.342 nan 8.210 nan 0.000 0.414 251 A N 1.724 124.455 122.820 -0.149 0.000 1.948 251 A HA -0.238 4.083 4.320 0.001 0.000 0.220 251 A C 2.284 179.840 177.584 -0.046 0.000 1.177 251 A CA 2.064 54.023 52.037 -0.129 0.000 0.636 251 A CB -0.688 18.236 19.000 -0.126 0.000 0.815 251 A HN 0.593 nan 8.150 nan 0.000 0.449 252 R N -1.452 119.016 120.500 -0.053 0.000 2.317 252 R HA 0.342 4.683 4.340 0.001 0.000 0.208 252 R C 1.044 177.243 176.300 -0.168 0.000 0.914 252 R CA 0.809 56.865 56.100 -0.072 0.000 1.060 252 R CB -0.493 29.780 30.300 -0.045 0.000 1.015 252 R HN 0.831 nan 8.270 nan 0.000 0.498 253 G N 1.441 110.068 108.800 -0.288 0.000 2.141 253 G HA2 -0.271 3.689 3.960 0.001 0.000 0.242 253 G HA3 -0.271 3.689 3.960 0.001 0.000 0.242 253 G C -0.473 173.905 174.900 -0.871 0.000 0.982 253 G CA 0.245 44.900 45.100 -0.742 0.000 0.662 253 G HN 0.493 nan 8.290 nan 0.000 0.527 254 D N 0.586 120.719 120.400 -0.445 0.000 2.639 254 D HA 0.370 5.011 4.640 0.001 0.000 0.233 254 D C 0.359 176.590 176.300 -0.115 0.000 1.161 254 D CA -0.553 53.298 54.000 -0.248 0.000 1.003 254 D CB -0.667 40.062 40.800 -0.119 0.000 1.034 254 D HN 0.442 nan 8.370 nan 0.000 0.514 255 Y N 2.792 123.080 120.300 -0.020 0.000 2.480 255 Y HA 0.221 4.772 4.550 0.001 0.000 0.341 255 Y C -1.384 174.496 175.900 -0.033 0.000 1.031 255 Y CA -2.285 55.809 58.100 -0.010 0.000 1.295 255 Y CB 0.465 38.927 38.460 0.004 0.000 1.162 255 Y HN 0.238 nan 8.280 nan 0.000 0.523 256 P HA 0.164 nan 4.420 nan 0.000 0.275 256 P C -1.119 176.148 177.300 -0.055 0.000 1.227 256 P CA -0.412 62.631 63.100 -0.094 0.000 0.781 256 P CB 1.365 32.992 31.700 -0.121 0.000 0.906 257 K N 1.822 122.061 120.400 -0.269 0.000 2.385 257 K HA 0.570 4.891 4.320 0.001 0.000 0.248 257 K C -0.818 175.690 176.600 -0.154 0.000 0.955 257 K CA -0.517 55.771 56.287 0.001 0.000 0.816 257 K CB 2.345 34.878 32.500 0.054 0.000 1.250 257 K HN 0.511 nan 8.250 nan 0.000 0.434 258 W N 1.524 122.997 121.300 0.288 0.000 2.936 258 W HA 0.355 5.015 4.660 0.001 0.000 0.338 258 W C -0.436 176.279 176.519 0.328 0.000 1.121 258 W CA -0.770 56.797 57.345 0.369 0.000 1.209 258 W CB 2.125 31.939 29.460 0.589 0.000 1.420 258 W HN 0.389 nan 8.180 nan 0.000 0.516 259 K N 2.886 123.546 120.400 0.433 0.000 2.234 259 K HA 0.328 4.649 4.320 0.001 0.000 0.277 259 K C -0.746 175.919 176.600 0.107 0.000 1.038 259 K CA -0.664 55.773 56.287 0.250 0.000 0.888 259 K CB 1.055 33.643 32.500 0.148 0.000 1.091 259 K HN 0.370 nan 8.250 nan 0.000 0.467 260 L N 4.299 125.553 121.223 0.051 0.000 2.313 260 L HA 0.273 4.614 4.340 0.001 0.000 0.282 260 L C -0.967 175.784 176.870 -0.198 0.000 1.092 260 L CA 0.598 55.245 54.840 -0.322 0.000 0.831 260 L CB 0.847 42.797 42.059 -0.181 0.000 1.159 260 L HN 0.723 nan 8.230 nan 0.000 0.442 261 S N 5.542 121.071 115.700 -0.286 0.000 2.634 261 S HA 0.863 5.334 4.470 0.001 0.000 0.296 261 S C -0.352 174.145 174.600 -0.171 0.000 1.104 261 S CA -0.867 57.209 58.200 -0.206 0.000 0.920 261 S CB 1.656 64.718 63.200 -0.230 0.000 1.111 261 S HN 0.727 nan 8.310 nan 0.000 0.493 262 I N -1.694 118.780 120.570 -0.161 0.000 2.892 262 I HA 0.629 4.799 4.170 0.001 0.000 0.306 262 I C -1.191 174.846 176.117 -0.133 0.000 1.078 262 I CA -1.175 60.030 61.300 -0.159 0.000 1.032 262 I CB 1.951 39.796 38.000 -0.258 0.000 1.229 262 I HN 0.560 nan 8.210 nan 0.000 0.435 263 Q N 2.256 122.012 119.800 -0.074 0.000 2.309 263 Q HA 0.719 5.060 4.340 0.001 0.000 0.264 263 Q C -1.387 174.672 176.000 0.098 0.000 1.008 263 Q CA -0.996 54.855 55.803 0.081 0.000 0.853 263 Q CB 3.221 32.118 28.738 0.265 0.000 1.314 263 Q HN 0.555 nan 8.270 nan 0.000 0.448 264 V N 3.000 122.965 119.914 0.084 0.000 2.483 264 V HA 0.446 4.566 4.120 0.001 0.000 0.297 264 V C -0.717 175.354 176.094 -0.038 0.000 1.027 264 V CA -0.608 61.656 62.300 -0.062 0.000 0.855 264 V CB 1.721 33.213 31.823 -0.552 0.000 0.995 264 V HN 0.776 nan 8.190 nan 0.000 0.424 265 M N 7.599 127.122 119.600 -0.128 0.000 2.243 265 M HA 0.584 5.065 4.480 0.001 0.000 0.324 265 M C -2.831 173.467 176.300 -0.002 0.000 1.031 265 M CA -1.909 53.144 55.300 -0.412 0.000 0.949 265 M CB 2.646 34.474 32.600 -1.286 0.000 1.615 265 M HN 0.336 nan 8.290 nan 0.000 0.430 266 P HA 0.032 nan 4.420 nan 0.000 0.269 266 P C 0.090 177.380 177.300 -0.017 0.000 1.209 266 P CA 0.057 63.204 63.100 0.079 0.000 0.776 266 P CB 0.503 32.266 31.700 0.104 0.000 0.876 267 E N 1.640 121.704 120.200 -0.226 0.000 2.086 267 E HA -0.256 4.095 4.350 0.001 0.000 0.200 267 E C 0.576 177.287 176.600 0.184 0.000 1.012 267 E CA 1.600 57.869 56.400 -0.218 0.000 0.812 267 E CB 0.092 29.601 29.700 -0.319 0.000 0.743 267 E HN 0.548 nan 8.360 nan 0.000 0.453 268 E N 0.007 120.216 120.200 0.015 0.000 2.403 268 E HA -0.041 4.310 4.350 0.001 0.000 0.187 268 E C 0.283 176.908 176.600 0.041 0.000 1.073 268 E CA -0.204 56.190 56.400 -0.010 0.000 0.888 268 E CB 0.302 29.890 29.700 -0.187 0.000 1.035 268 E HN 0.149 nan 8.360 nan 0.000 0.471 269 D N -0.026 120.419 120.400 0.075 0.000 2.348 269 D HA 0.022 4.663 4.640 0.001 0.000 0.211 269 D C 1.707 178.040 176.300 0.054 0.000 0.998 269 D CA 0.285 54.319 54.000 0.057 0.000 0.873 269 D CB 0.224 41.039 40.800 0.026 0.000 0.925 269 D HN 0.201 nan 8.370 nan 0.000 0.524 270 A N 0.584 123.477 122.820 0.122 0.000 1.969 270 A HA -0.154 4.166 4.320 0.001 0.000 0.218 270 A C 2.076 179.706 177.584 0.076 0.000 1.169 270 A CA 1.114 53.189 52.037 0.062 0.000 0.635 270 A CB -0.156 19.013 19.000 0.282 0.000 0.810 270 A HN -0.079 nan 8.150 nan 0.000 0.445 271 K N -0.088 120.380 120.400 0.113 0.000 2.057 271 K HA -0.053 4.268 4.320 0.001 0.000 0.207 271 K C 0.930 177.544 176.600 0.023 0.000 1.049 271 K CA 1.315 57.645 56.287 0.072 0.000 0.931 271 K CB 0.000 32.546 32.500 0.076 0.000 0.714 271 K HN 0.275 nan 8.250 nan 0.000 0.440 272 K N -0.944 119.476 120.400 0.033 0.000 2.447 272 K HA 0.064 4.385 4.320 0.001 0.000 0.205 272 K C -0.267 176.349 176.600 0.026 0.000 1.059 272 K CA -0.500 55.793 56.287 0.009 0.000 1.065 272 K CB 0.071 32.574 32.500 0.005 0.000 0.885 272 K HN 0.008 nan 8.250 nan 0.000 0.545 273 Y N 3.200 123.446 120.300 -0.090 0.000 2.597 273 Y HA -0.111 4.439 4.550 0.000 0.000 0.336 273 Y C 1.499 177.311 175.900 -0.147 0.000 1.216 273 Y CA 0.078 58.115 58.100 -0.105 0.000 1.463 273 Y CB 0.750 39.129 38.460 -0.135 0.000 1.303 273 Y HN 0.106 nan 8.280 nan 0.000 0.576 274 R N 3.025 123.051 120.500 -0.789 0.000 2.280 274 R HA 0.070 4.411 4.340 0.001 0.000 0.207 274 R C -0.787 174.996 176.300 -0.861 0.000 1.043 274 R CA 0.802 56.431 56.100 -0.784 0.000 1.006 274 R CB -0.290 29.467 30.300 -0.905 0.000 0.885 274 R HN 0.394 nan 8.270 nan 0.000 0.467 275 F N 1.241 120.793 119.950 -0.663 0.000 2.482 275 F HA 0.227 4.755 4.527 0.002 0.000 0.331 275 F C 0.409 176.188 175.800 -0.036 0.000 1.115 275 F CA -1.687 56.137 58.000 -0.294 0.000 0.955 275 F CB 1.193 40.022 39.000 -0.285 0.000 1.136 275 F HN 0.025 nan 8.300 nan 0.000 0.452 276 H N 5.496 124.652 119.070 0.144 0.000 3.237 276 H HA -0.011 4.545 4.556 0.001 0.000 0.270 276 H C -1.934 173.445 175.328 0.085 0.000 0.900 276 H CA -1.262 54.850 56.048 0.108 0.000 1.415 276 H CB 0.970 30.832 29.762 0.167 0.000 1.484 276 H HN 0.317 nan 8.280 nan 0.000 0.540 277 P HA -0.034 nan 4.420 nan 0.000 0.233 277 P C 0.060 177.187 177.300 -0.288 0.000 1.167 277 P CA 0.936 63.930 63.100 -0.176 0.000 0.770 277 P CB 0.096 31.242 31.700 -0.923 0.000 0.837 278 F N -1.657 118.523 119.950 0.383 0.000 2.735 278 F HA 0.266 4.793 4.527 0.001 0.000 0.304 278 F C 0.459 176.281 175.800 0.036 0.000 1.119 278 F CA -0.941 57.150 58.000 0.150 0.000 1.280 278 F CB -0.022 39.025 39.000 0.078 0.000 0.994 278 F HN -0.211 nan 8.300 nan 0.000 0.520 279 D N 1.167 121.584 120.400 0.029 0.000 2.373 279 D HA 0.086 4.726 4.640 0.001 0.000 0.227 279 D C 0.846 177.109 176.300 -0.063 0.000 1.091 279 D CA 0.185 54.111 54.000 -0.124 0.000 0.840 279 D CB 1.878 42.503 40.800 -0.291 0.000 1.060 279 D HN 0.069 nan 8.370 nan 0.000 0.502 280 V N 3.908 123.797 119.914 -0.042 0.000 3.444 280 V HA -0.105 4.016 4.120 0.001 0.000 0.271 280 V C 1.881 177.860 176.094 -0.193 0.000 1.188 280 V CA 2.114 64.342 62.300 -0.119 0.000 1.168 280 V CB -0.625 31.145 31.823 -0.089 0.000 0.810 280 V HN 0.776 nan 8.190 nan 0.000 0.500 281 T N -2.659 111.799 114.554 -0.160 0.000 3.169 281 T HA 0.181 4.532 4.350 0.001 0.000 0.250 281 T C 0.563 175.192 174.700 -0.118 0.000 1.111 281 T CA 0.058 62.053 62.100 -0.174 0.000 1.010 281 T CB -0.096 68.694 68.868 -0.130 0.000 0.984 281 T HN 0.474 nan 8.240 nan 0.000 0.537 282 K N 0.883 121.203 120.400 -0.134 0.000 2.443 282 K HA 0.712 5.033 4.320 0.001 0.000 0.251 282 K C -0.539 175.972 176.600 -0.148 0.000 0.972 282 K CA -1.192 55.049 56.287 -0.076 0.000 0.833 282 K CB 2.531 35.007 32.500 -0.041 0.000 1.317 282 K HN 0.300 nan 8.250 nan 0.000 0.441 283 I N -2.926 117.607 120.570 -0.062 0.000 3.100 283 I HA 0.584 4.755 4.170 0.001 0.000 0.312 283 I C -1.044 175.238 176.117 0.274 0.000 1.063 283 I CA -0.962 60.333 61.300 -0.008 0.000 1.031 283 I CB 1.175 39.204 38.000 0.048 0.000 1.243 283 I HN 0.402 nan 8.210 nan 0.000 0.483 284 W N 1.798 123.205 121.300 0.179 0.000 2.361 284 W HA 0.392 5.053 4.660 0.002 0.000 0.309 284 W C -0.657 176.162 176.519 0.500 0.000 1.122 284 W CA -0.928 56.617 57.345 0.333 0.000 1.208 284 W CB -0.078 29.460 29.460 0.129 0.000 1.246 284 W HN 0.320 nan 8.180 nan 0.000 0.490 285 Y N 1.840 122.544 120.300 0.673 0.000 2.425 285 Y HA -0.016 4.535 4.550 0.001 0.000 0.331 285 Y C 2.100 178.236 175.900 0.393 0.000 1.157 285 Y CA -0.285 58.093 58.100 0.465 0.000 1.372 285 Y CB 0.161 38.895 38.460 0.458 0.000 1.253 285 Y HN 0.448 nan 8.280 nan 0.000 0.536 286 T N -1.527 113.274 114.554 0.412 0.000 2.995 286 T HA -0.180 4.170 4.350 0.001 0.000 0.269 286 T C 1.353 176.171 174.700 0.196 0.000 1.091 286 T CA 1.114 63.380 62.100 0.277 0.000 1.128 286 T CB -0.169 68.811 68.868 0.187 0.000 0.891 286 T HN 0.741 nan 8.240 nan 0.000 0.492 287 Q N 1.043 120.966 119.800 0.205 0.000 2.226 287 Q HA -0.133 4.208 4.340 0.001 0.000 0.204 287 Q C 1.342 177.395 176.000 0.087 0.000 0.975 287 Q CA 1.636 57.523 55.803 0.141 0.000 0.866 287 Q CB -0.272 28.558 28.738 0.153 0.000 0.915 287 Q HN 0.417 nan 8.270 nan 0.000 0.440 288 D N -0.400 120.069 120.400 0.115 0.000 2.201 288 D HA 0.001 4.641 4.640 0.001 0.000 0.209 288 D C -0.293 175.615 176.300 -0.653 0.000 0.961 288 D CA 0.866 54.749 54.000 -0.194 0.000 0.861 288 D CB 0.319 41.111 40.800 -0.014 0.000 0.997 288 D HN 0.258 nan 8.370 nan 0.000 0.486 289 Y N 0.499 120.869 120.300 0.118 0.000 2.594 289 Y HA 0.327 4.878 4.550 0.002 0.000 0.338 289 Y C -2.346 173.620 175.900 0.110 0.000 1.019 289 Y CA -2.403 55.752 58.100 0.092 0.000 1.306 289 Y CB 1.842 40.387 38.460 0.143 0.000 1.094 289 Y HN -0.166 nan 8.280 nan 0.000 0.534 290 P HA 0.197 nan 4.420 nan 0.000 0.274 290 P C 0.019 177.347 177.300 0.047 0.000 1.246 290 P CA -0.270 62.882 63.100 0.088 0.000 0.795 290 P CB 1.308 33.038 31.700 0.051 0.000 1.006 294 V N 1.515 121.415 119.914 -0.023 0.000 2.996 294 V HA 0.572 4.693 4.120 0.001 0.000 0.235 294 V C 0.772 176.937 176.094 0.119 0.000 1.205 294 V CA 0.723 63.026 62.300 0.006 0.000 1.225 294 V CB 0.978 32.757 31.823 -0.073 0.000 0.995 294 V HN 0.715 nan 8.190 nan 0.000 0.484 295 G N -0.464 108.439 108.800 0.172 0.000 2.488 295 G HA2 0.631 4.591 3.960 0.001 0.000 0.301 295 G HA3 0.631 4.591 3.960 0.001 0.000 0.301 295 G C -2.132 172.847 174.900 0.132 0.000 1.339 295 G CA -0.568 44.570 45.100 0.063 0.000 0.803 295 G HN 0.035 nan 8.290 nan 0.000 0.482 296 I N 0.123 120.678 120.570 -0.025 0.000 2.545 296 I HA 0.582 4.753 4.170 0.001 0.000 0.292 296 I C -0.600 175.672 176.117 0.258 0.000 1.040 296 I CA -1.228 60.172 61.300 0.168 0.000 1.068 296 I CB 2.194 40.253 38.000 0.097 0.000 1.251 296 I HN 0.393 nan 8.210 nan 0.000 0.424 297 V N 6.057 126.273 119.914 0.504 0.000 2.555 297 V HA 0.542 4.663 4.120 0.001 0.000 0.302 297 V C -0.834 175.478 176.094 0.364 0.000 1.038 297 V CA -0.085 62.520 62.300 0.509 0.000 0.887 297 V CB 1.930 34.124 31.823 0.619 0.000 0.991 297 V HN 0.894 nan 8.190 nan 0.000 0.434 298 E N 5.505 125.819 120.200 0.190 0.000 2.248 298 E HA 0.513 4.864 4.350 0.001 0.000 0.267 298 E C -1.648 174.942 176.600 -0.016 0.000 0.877 298 E CA -0.815 55.663 56.400 0.131 0.000 0.759 298 E CB 1.911 31.657 29.700 0.078 0.000 1.182 298 E HN 0.792 nan 8.360 nan 0.000 0.418 299 L N 4.589 125.818 121.223 0.011 0.000 2.265 299 L HA 0.377 4.718 4.340 0.001 0.000 0.288 299 L C 0.306 177.093 176.870 -0.139 0.000 1.058 299 L CA -0.454 54.327 54.840 -0.098 0.000 0.809 299 L CB 0.566 42.592 42.059 -0.055 0.000 1.179 299 L HN 0.609 nan 8.230 nan 0.000 0.429 300 N N 1.098 119.620 118.700 -0.298 0.000 2.081 300 N HA 0.116 4.857 4.740 0.001 0.000 0.230 300 N C -0.431 174.871 175.510 -0.346 0.000 1.351 300 N CA -0.487 52.126 53.050 -0.729 0.000 0.840 300 N CB 0.662 38.501 38.487 -1.079 0.000 1.189 300 N HN 0.450 nan 8.380 nan 0.000 0.503 301 K N 0.447 120.797 120.400 -0.083 0.000 2.565 301 K HA 0.316 4.636 4.320 0.001 0.000 0.251 301 K C -1.487 175.205 176.600 0.154 0.000 0.956 301 K CA -0.554 55.754 56.287 0.036 0.000 0.809 301 K CB 1.109 33.635 32.500 0.043 0.000 1.267 301 K HN -0.057 nan 8.250 nan 0.000 0.438 302 N N 3.776 122.530 118.700 0.090 0.000 2.520 302 N HA 0.262 5.002 4.740 0.001 0.000 0.273 302 N C -2.521 173.173 175.510 0.306 0.000 1.155 302 N CA -1.333 51.804 53.050 0.145 0.000 0.967 302 N CB 0.845 39.267 38.487 -0.108 0.000 1.092 302 N HN 0.361 nan 8.380 nan 0.000 0.457 303 P HA 0.073 nan 4.420 nan 0.000 0.269 303 P C 0.700 178.192 177.300 0.320 0.000 1.215 303 P CA -0.149 63.204 63.100 0.423 0.000 0.780 303 P CB 0.977 32.884 31.700 0.344 0.000 0.898 304 E N 0.561 120.903 120.200 0.235 0.000 2.076 304 E HA -0.058 4.292 4.350 0.001 0.000 0.190 304 E C 0.464 177.178 176.600 0.190 0.000 0.979 304 E CA 1.235 57.748 56.400 0.188 0.000 0.807 304 E CB -0.054 29.715 29.700 0.114 0.000 0.761 304 E HN 0.447 nan 8.360 nan 0.000 0.454 305 N N -0.581 118.227 118.700 0.180 0.000 2.399 305 N HA 0.002 4.742 4.740 0.001 0.000 0.284 305 N C -0.026 175.611 175.510 0.211 0.000 1.025 305 N CA -0.150 53.014 53.050 0.190 0.000 0.885 305 N CB 1.265 39.842 38.487 0.150 0.000 1.339 305 N HN -0.113 nan 8.380 nan 0.000 0.487 306 Y N 4.577 124.966 120.300 0.147 0.000 2.097 306 Y HA -0.239 4.311 4.550 0.001 0.000 0.282 306 Y C 1.834 177.812 175.900 0.130 0.000 1.152 306 Y CA 1.889 60.074 58.100 0.143 0.000 1.136 306 Y CB -0.207 38.332 38.460 0.131 0.000 0.975 306 Y HN 0.675 nan 8.280 nan 0.000 0.498 307 F N 0.511 120.572 119.950 0.185 0.000 2.075 307 F HA -0.194 4.334 4.527 0.001 0.000 0.297 307 F C 2.314 178.073 175.800 -0.068 0.000 1.113 307 F CA 1.934 59.974 58.000 0.065 0.000 1.218 307 F CB -0.856 38.201 39.000 0.095 0.000 0.984 307 F HN 0.069 nan 8.300 nan 0.000 0.472 308 A N -0.463 122.413 122.820 0.093 0.000 1.969 308 A HA -0.132 4.189 4.320 0.001 0.000 0.218 308 A C 2.028 179.492 177.584 -0.201 0.000 1.169 308 A CA 1.918 53.941 52.037 -0.023 0.000 0.635 308 A CB -0.598 18.464 19.000 0.102 0.000 0.810 308 A HN 0.620 nan 8.150 nan 0.000 0.445 309 E N -1.382 118.694 120.200 -0.206 0.000 2.290 309 E HA 0.080 4.431 4.350 0.001 0.000 0.199 309 E C 1.671 178.003 176.600 -0.447 0.000 0.912 309 E CA 0.674 56.892 56.400 -0.302 0.000 0.924 309 E CB 0.316 29.943 29.700 -0.121 0.000 0.901 309 E HN 0.367 nan 8.360 nan 0.000 0.487 310 V N 0.759 120.421 119.914 -0.421 0.000 2.627 310 V HA -0.068 4.052 4.120 0.001 0.000 0.239 310 V C 2.118 177.938 176.094 -0.458 0.000 1.077 310 V CA 1.187 63.245 62.300 -0.404 0.000 1.103 310 V CB -0.010 31.392 31.823 -0.703 0.000 0.802 310 V HN 0.059 nan 8.190 nan 0.000 0.482 311 E N 0.921 120.753 120.200 -0.614 0.000 2.106 311 E HA -0.204 4.146 4.350 0.001 0.000 0.192 311 E C 2.106 178.429 176.600 -0.462 0.000 0.984 311 E CA 1.483 57.617 56.400 -0.444 0.000 0.806 311 E CB -0.199 29.238 29.700 -0.438 0.000 0.750 311 E HN 0.621 nan 8.360 nan 0.000 0.458 312 Q N -0.221 119.228 119.800 -0.585 0.000 2.444 312 Q HA 0.237 4.578 4.340 0.001 0.000 0.206 312 Q C -0.082 175.682 176.000 -0.393 0.000 0.948 312 Q CA 0.203 55.719 55.803 -0.479 0.000 0.946 312 Q CB 0.397 28.848 28.738 -0.477 0.000 1.027 312 Q HN 0.213 nan 8.270 nan 0.000 0.513 313 A N 1.088 123.672 122.820 -0.394 0.000 2.477 313 A HA 0.480 4.800 4.320 0.001 0.000 0.246 313 A C -0.183 177.125 177.584 -0.460 0.000 1.078 313 A CA 0.184 51.936 52.037 -0.475 0.000 0.770 313 A CB 0.265 19.074 19.000 -0.318 0.000 1.011 313 A HN 0.266 nan 8.150 nan 0.000 0.494 314 A N 2.188 124.613 122.820 -0.658 0.000 2.359 314 A HA 0.753 5.074 4.320 0.001 0.000 0.303 314 A C -1.024 176.171 177.584 -0.649 0.000 1.066 314 A CA -0.420 51.197 52.037 -0.700 0.000 0.730 314 A CB 0.619 19.058 19.000 -0.935 0.000 1.211 314 A HN 0.704 nan 8.150 nan 0.000 0.439 315 F N 0.706 120.595 119.950 -0.101 0.000 2.520 315 F HA 0.740 5.268 4.527 0.001 0.000 0.322 315 F C 0.549 176.469 175.800 0.199 0.000 1.103 315 F CA -0.488 57.510 58.000 -0.005 0.000 0.926 315 F CB 2.769 41.682 39.000 -0.146 0.000 1.154 315 F HN 0.457 nan 8.300 nan 0.000 0.453 316 T N 2.647 117.354 114.554 0.256 0.000 2.881 316 T HA 0.405 4.756 4.350 0.001 0.000 0.290 316 T C -2.348 172.289 174.700 -0.105 0.000 1.000 316 T CA -2.228 59.892 62.100 0.033 0.000 0.978 316 T CB 1.863 70.830 68.868 0.164 0.000 0.997 316 T HN 0.230 nan 8.240 nan 0.000 0.443 317 P HA 0.032 nan 4.420 nan 0.000 0.221 317 P C 1.259 178.635 177.300 0.127 0.000 1.145 317 P CA 0.790 63.839 63.100 -0.084 0.000 0.795 317 P CB 0.058 31.654 31.700 -0.172 0.000 0.775 318 A N -0.736 122.118 122.820 0.056 0.000 2.070 318 A HA -0.141 4.179 4.320 0.001 0.000 0.220 318 A C 1.268 179.042 177.584 0.317 0.000 1.159 318 A CA 1.141 53.285 52.037 0.179 0.000 0.656 318 A CB -1.128 17.924 19.000 0.086 0.000 0.800 318 A HN 0.142 nan 8.150 nan 0.000 0.453 319 N N 0.803 119.638 118.700 0.225 0.000 2.895 319 N HA 0.293 5.034 4.740 0.001 0.000 0.277 319 N C -0.019 175.656 175.510 0.275 0.000 1.185 319 N CA 0.304 53.476 53.050 0.204 0.000 1.106 319 N CB 0.368 38.934 38.487 0.132 0.000 1.422 319 N HN 0.386 nan 8.380 nan 0.000 0.521 320 V N -0.995 119.059 119.914 0.233 0.000 3.406 320 V HA 0.776 4.897 4.120 0.001 0.000 0.305 320 V C 0.559 176.643 176.094 -0.018 0.000 1.136 320 V CA -0.833 61.534 62.300 0.113 0.000 1.011 320 V CB 1.415 33.222 31.823 -0.026 0.000 1.221 320 V HN 0.097 nan 8.190 nan 0.000 0.454 321 V N -4.475 115.333 119.914 -0.177 0.000 3.130 321 V HA 0.733 4.854 4.120 0.001 0.000 0.310 321 V C -2.962 173.031 176.094 -0.168 0.000 1.158 321 V CA -2.755 59.455 62.300 -0.150 0.000 1.029 321 V CB 1.239 32.952 31.823 -0.184 0.000 1.057 321 V HN 0.800 nan 8.190 nan 0.000 0.436 322 P HA 0.309 nan 4.420 nan 0.000 0.262 322 P C 0.969 178.204 177.300 -0.107 0.000 1.182 322 P CA 2.028 65.075 63.100 -0.088 0.000 0.761 322 P CB 0.568 32.238 31.700 -0.049 0.000 0.795 323 G N 2.143 110.892 108.800 -0.084 0.000 2.195 323 G HA2 -0.204 3.756 3.960 0.001 0.000 0.246 323 G HA3 -0.204 3.756 3.960 0.001 0.000 0.246 323 G C -0.010 174.846 174.900 -0.074 0.000 0.984 323 G CA -0.251 44.816 45.100 -0.056 0.000 0.633 323 G HN 0.505 nan 8.290 nan 0.000 0.525 324 I N 0.320 120.799 120.570 -0.152 0.000 2.582 324 I HA 0.687 4.858 4.170 0.001 0.000 0.292 324 I C 0.577 176.607 176.117 -0.146 0.000 1.066 324 I CA -0.419 60.794 61.300 -0.146 0.000 1.053 324 I CB 2.132 39.891 38.000 -0.401 0.000 1.241 324 I HN 0.268 nan 8.210 nan 0.000 0.421 325 G N 3.686 112.456 108.800 -0.049 0.000 2.975 325 G HA2 0.615 4.576 3.960 0.001 0.000 0.291 325 G HA3 0.615 4.576 3.960 0.001 0.000 0.291 325 G C -1.562 173.370 174.900 0.052 0.000 1.334 325 G CA -0.491 44.485 45.100 -0.207 0.000 0.843 325 G HN 0.452 nan 8.290 nan 0.000 0.548 326 Y N -0.243 120.179 120.300 0.202 0.000 2.518 326 Y HA 0.659 5.209 4.550 0.001 0.000 0.332 326 Y C 1.076 177.057 175.900 0.135 0.000 1.276 326 Y CA -0.203 57.992 58.100 0.159 0.000 1.418 326 Y CB 1.722 40.220 38.460 0.063 0.000 1.527 326 Y HN 0.685 nan 8.280 nan 0.000 0.549 327 S N -0.629 115.170 115.700 0.165 0.000 2.651 327 S HA 0.409 4.880 4.470 0.001 0.000 0.279 327 S C -2.830 171.651 174.600 -0.199 0.000 1.148 327 S CA -1.515 56.670 58.200 -0.026 0.000 0.837 327 S CB 1.793 64.956 63.200 -0.062 0.000 1.138 327 S HN 0.371 nan 8.310 nan 0.000 0.478 328 P HA 0.184 nan 4.420 nan 0.000 0.249 328 P C -0.580 176.575 177.300 -0.242 0.000 1.593 328 P CA 0.043 62.945 63.100 -0.330 0.000 0.896 328 P CB -0.719 30.750 31.700 -0.386 0.000 1.581 329 D N 0.943 121.256 120.400 -0.146 0.000 2.382 329 D HA -0.001 4.640 4.640 0.001 0.000 0.259 329 D C 1.251 177.522 176.300 -0.049 0.000 1.224 329 D CA 0.044 54.046 54.000 0.003 0.000 0.894 329 D CB 0.806 41.606 40.800 -0.001 0.000 1.127 329 D HN 0.005 nan 8.370 nan 0.000 0.487 330 R N 3.263 123.790 120.500 0.046 0.000 2.127 330 R HA -0.125 4.216 4.340 0.001 0.000 0.238 330 R C 1.985 178.289 176.300 0.008 0.000 1.134 330 R CA 0.970 57.099 56.100 0.048 0.000 0.975 330 R CB -0.015 30.378 30.300 0.155 0.000 0.865 330 R HN 0.566 nan 8.270 nan 0.000 0.447 331 M N 0.225 119.833 119.600 0.014 0.000 2.077 331 M HA -0.136 4.344 4.480 0.001 0.000 0.261 331 M C 2.333 178.490 176.300 -0.238 0.000 1.070 331 M CA 1.187 56.477 55.300 -0.016 0.000 1.125 331 M CB -0.871 31.819 32.600 0.150 0.000 1.339 331 M HN 0.145 nan 8.290 nan 0.000 0.409 332 L N 1.234 122.104 121.223 -0.588 0.000 2.013 332 L HA -0.232 4.109 4.340 0.001 0.000 0.212 332 L C 2.491 179.130 176.870 -0.384 0.000 1.073 332 L CA 1.956 56.323 54.840 -0.788 0.000 0.753 332 L CB -0.991 40.512 42.059 -0.926 0.000 0.890 332 L HN 0.337 nan 8.230 nan 0.000 0.432 333 Q N -0.306 119.334 119.800 -0.268 0.000 2.077 333 Q HA -0.183 4.158 4.340 0.001 0.000 0.206 333 Q C 2.115 178.047 176.000 -0.113 0.000 0.989 333 Q CA 1.857 57.550 55.803 -0.183 0.000 0.853 333 Q CB -0.871 27.803 28.738 -0.107 0.000 0.907 333 Q HN 0.714 nan 8.270 nan 0.000 0.418 334 G N 0.793 109.555 108.800 -0.064 0.000 2.408 334 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 334 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 334 G C 1.500 176.419 174.900 0.032 0.000 1.150 334 G CA 0.387 45.498 45.100 0.019 0.000 0.776 334 G HN 0.267 nan 8.290 nan 0.000 0.542 335 R N -0.128 120.347 120.500 -0.042 0.000 2.120 335 R HA 0.078 4.418 4.340 0.001 0.000 0.234 335 R C 2.486 178.799 176.300 0.022 0.000 1.123 335 R CA 0.612 56.736 56.100 0.041 0.000 0.975 335 R CB -0.423 29.847 30.300 -0.049 0.000 0.866 335 R HN 0.342 nan 8.270 nan 0.000 0.446 336 L N -0.266 120.903 121.223 -0.091 0.000 2.127 336 L HA -0.210 4.130 4.340 0.001 0.000 0.211 336 L C 2.237 179.127 176.870 0.034 0.000 1.089 336 L CA 1.127 55.899 54.840 -0.113 0.000 0.757 336 L CB -0.424 41.476 42.059 -0.264 0.000 0.899 336 L HN 0.170 nan 8.230 nan 0.000 0.434 337 F N -0.063 119.853 119.950 -0.056 0.000 2.147 337 F HA -0.111 4.416 4.527 0.001 0.000 0.291 337 F C 2.779 178.563 175.800 -0.026 0.000 1.093 337 F CA 1.453 59.434 58.000 -0.031 0.000 1.263 337 F CB -0.545 38.436 39.000 -0.033 0.000 1.036 337 F HN -0.085 nan 8.300 nan 0.000 0.481 338 S N -0.773 114.701 115.700 -0.376 0.000 2.382 338 S HA -0.219 4.252 4.470 0.001 0.000 0.228 338 S C 2.086 176.367 174.600 -0.532 0.000 1.027 338 S CA 1.578 59.422 58.200 -0.592 0.000 0.991 338 S CB -0.739 62.273 63.200 -0.314 0.000 0.823 338 S HN 0.536 nan 8.310 nan 0.000 0.469 339 Y N 1.167 121.191 120.300 -0.460 0.000 2.153 339 Y HA 0.092 4.642 4.550 0.001 0.000 0.289 339 Y C 2.894 178.189 175.900 -1.007 0.000 1.127 339 Y CA 0.925 58.662 58.100 -0.605 0.000 1.131 339 Y CB -0.985 37.230 38.460 -0.408 0.000 0.995 339 Y HN 0.397 nan 8.280 nan 0.000 0.505 340 G N -0.321 108.226 108.800 -0.421 0.000 2.469 340 G HA2 -0.374 3.587 3.960 0.001 0.000 0.219 340 G HA3 -0.374 3.587 3.960 0.001 0.000 0.219 340 G C 1.182 175.940 174.900 -0.236 0.000 1.150 340 G CA 1.524 46.497 45.100 -0.212 0.000 0.763 340 G HN 0.417 nan 8.290 nan 0.000 0.561 341 D N -0.450 119.731 120.400 -0.366 0.000 2.092 341 D HA -0.141 4.499 4.640 0.001 0.000 0.193 341 D C 2.466 178.621 176.300 -0.242 0.000 0.994 341 D CA 1.930 55.714 54.000 -0.359 0.000 0.828 341 D CB -0.481 39.827 40.800 -0.820 0.000 0.963 341 D HN 0.196 nan 8.370 nan 0.000 0.450 342 T N -1.823 112.537 114.554 -0.324 0.000 2.951 342 T HA -0.098 4.252 4.350 0.001 0.000 0.268 342 T C 1.524 176.176 174.700 -0.080 0.000 1.073 342 T CA 1.292 63.294 62.100 -0.164 0.000 1.134 342 T CB -0.403 68.339 68.868 -0.210 0.000 0.884 342 T HN 0.349 nan 8.240 nan 0.000 0.479 343 H N 0.317 119.219 119.070 -0.280 0.000 2.319 343 H HA -0.016 4.541 4.556 0.001 0.000 0.299 343 H C 2.701 177.730 175.328 -0.499 0.000 1.092 343 H CA 1.225 56.929 56.048 -0.572 0.000 1.302 343 H CB 0.069 29.143 29.762 -1.147 0.000 1.373 343 H HN 0.256 nan 8.280 nan 0.000 0.497 344 R N -0.073 120.362 120.500 -0.109 0.000 2.120 344 R HA -0.181 4.160 4.340 0.001 0.000 0.234 344 R C 2.104 178.434 176.300 0.050 0.000 1.123 344 R CA 1.523 57.655 56.100 0.053 0.000 0.975 344 R CB -0.326 30.058 30.300 0.139 0.000 0.866 344 R HN 0.398 nan 8.270 nan 0.000 0.446 345 Y N 1.300 121.557 120.300 -0.071 0.000 2.153 345 Y HA -0.134 4.417 4.550 0.001 0.000 0.289 345 Y C 2.460 178.313 175.900 -0.079 0.000 1.127 345 Y CA 1.410 59.471 58.100 -0.065 0.000 1.131 345 Y CB -0.165 38.254 38.460 -0.069 0.000 0.995 345 Y HN -0.174 nan 8.280 nan 0.000 0.505 346 R N -0.279 120.081 120.500 -0.234 0.000 2.092 346 R HA -0.056 4.284 4.340 0.001 0.000 0.231 346 R C 1.433 177.569 176.300 -0.273 0.000 1.119 346 R CA 1.950 57.866 56.100 -0.307 0.000 0.970 346 R CB -0.149 30.084 30.300 -0.112 0.000 0.864 346 R HN 0.506 nan 8.270 nan 0.000 0.440 347 L N -1.403 119.687 121.223 -0.222 0.000 2.840 347 L HA 0.386 4.726 4.340 0.001 0.000 0.249 347 L C 0.443 177.272 176.870 -0.068 0.000 1.119 347 L CA 0.112 54.855 54.840 -0.161 0.000 0.930 347 L CB 1.290 43.230 42.059 -0.199 0.000 1.295 347 L HN 0.422 nan 8.230 nan 0.000 0.534 348 G N -0.135 108.635 108.800 -0.050 0.000 2.619 348 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 348 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 348 G C 0.093 175.112 174.900 0.198 0.000 1.256 348 G CA -0.351 44.776 45.100 0.044 0.000 0.826 348 G HN -0.259 nan 8.290 nan 0.000 0.619 349 V N 0.458 120.500 119.914 0.213 0.000 2.490 349 V HA -0.075 4.045 4.120 0.001 0.000 0.250 349 V C 1.842 178.076 176.094 0.234 0.000 1.061 349 V CA 2.430 64.887 62.300 0.261 0.000 1.064 349 V CB -0.331 31.613 31.823 0.203 0.000 0.670 349 V HN 0.647 nan 8.190 nan 0.000 0.461 350 N N -0.199 118.608 118.700 0.178 0.000 2.346 350 N HA 0.035 4.776 4.740 0.001 0.000 0.225 350 N C 1.195 176.729 175.510 0.040 0.000 1.144 350 N CA 0.548 53.651 53.050 0.089 0.000 0.837 350 N CB -0.209 38.348 38.487 0.117 0.000 1.069 350 N HN 0.866 nan 8.380 nan 0.000 0.487 351 Y N 0.793 121.078 120.300 -0.025 0.000 2.241 351 Y HA -0.004 4.547 4.550 0.001 0.000 0.286 351 Y C -1.127 174.689 175.900 -0.140 0.000 1.166 351 Y CA 0.643 58.686 58.100 -0.095 0.000 1.203 351 Y CB -1.669 36.721 38.460 -0.116 0.000 0.977 351 Y HN 0.001 nan 8.280 nan 0.000 0.529 352 P HA -0.094 nan 4.420 nan 0.000 0.234 352 P C 0.707 177.794 177.300 -0.355 0.000 1.167 352 P CA 1.491 64.280 63.100 -0.518 0.000 0.763 352 P CB -0.065 31.286 31.700 -0.582 0.000 0.835 353 Q N -0.996 118.672 119.800 -0.220 0.000 2.408 353 Q HA 0.115 4.456 4.340 0.001 0.000 0.205 353 Q C 0.598 176.524 176.000 -0.124 0.000 0.919 353 Q CA -0.038 55.673 55.803 -0.152 0.000 0.932 353 Q CB 0.021 28.731 28.738 -0.046 0.000 1.058 353 Q HN 0.331 nan 8.270 nan 0.000 0.517 354 I N 2.768 123.264 120.570 -0.124 0.000 2.598 354 I HA -0.049 4.122 4.170 0.001 0.000 0.284 354 I C -1.585 174.436 176.117 -0.159 0.000 1.140 354 I CA -1.443 59.785 61.300 -0.120 0.000 1.420 354 I CB 0.571 38.498 38.000 -0.123 0.000 1.387 354 I HN -0.102 nan 8.210 nan 0.000 0.553 355 P HA -0.219 nan 4.420 nan 0.000 0.216 355 P C 1.717 178.907 177.300 -0.184 0.000 1.154 355 P CA 1.018 64.025 63.100 -0.155 0.000 0.865 355 P CB 0.202 31.826 31.700 -0.127 0.000 0.789 356 V N -0.250 119.535 119.914 -0.215 0.000 2.626 356 V HA -0.164 3.957 4.120 0.001 0.000 0.252 356 V C 1.541 177.514 176.094 -0.201 0.000 1.067 356 V CA 1.955 64.098 62.300 -0.260 0.000 1.081 356 V CB -0.967 30.520 31.823 -0.559 0.000 0.686 356 V HN 0.097 nan 8.190 nan 0.000 0.468 357 N N -0.145 118.412 118.700 -0.239 0.000 2.422 357 N HA 0.043 4.783 4.740 0.001 0.000 0.181 357 N C 0.595 175.990 175.510 -0.193 0.000 1.080 357 N CA 0.265 53.174 53.050 -0.235 0.000 0.893 357 N CB -0.011 38.324 38.487 -0.253 0.000 0.973 357 N HN 0.533 nan 8.380 nan 0.000 0.456 358 K N 2.103 122.385 120.400 -0.197 0.000 2.382 358 K HA 0.153 4.474 4.320 0.001 0.000 0.275 358 K C -2.241 174.250 176.600 -0.182 0.000 1.009 358 K CA -1.300 54.820 56.287 -0.277 0.000 0.970 358 K CB 0.317 32.659 32.500 -0.263 0.000 0.934 358 K HN 0.019 nan 8.250 nan 0.000 0.479 359 P HA 0.135 nan 4.420 nan 0.000 0.272 359 P C -0.309 176.959 177.300 -0.053 0.000 1.230 359 P CA -0.255 62.787 63.100 -0.095 0.000 0.788 359 P CB 0.726 32.335 31.700 -0.151 0.000 0.949 360 R N -0.055 120.458 120.500 0.022 0.000 2.362 360 R HA 0.161 4.502 4.340 0.001 0.000 0.227 360 R C 0.443 176.761 176.300 0.030 0.000 0.905 360 R CA 0.209 56.295 56.100 -0.024 0.000 1.067 360 R CB -1.211 29.044 30.300 -0.075 0.000 1.078 360 R HN 0.627 nan 8.270 nan 0.000 0.516 361 C N -1.393 117.947 119.300 0.067 0.000 2.354 361 C HA 0.747 5.208 4.460 0.001 0.000 0.381 361 C C -2.224 172.830 174.990 0.107 0.000 1.240 361 C CA -2.675 56.388 59.018 0.075 0.000 2.089 361 C CB 1.356 29.142 27.740 0.078 0.000 2.234 361 C HN 0.092 nan 8.230 nan 0.000 0.544 362 P HA 0.430 nan 4.420 nan 0.000 0.269 362 P C -0.867 176.447 177.300 0.024 0.000 1.209 362 P CA 0.243 63.337 63.100 -0.010 0.000 0.776 362 P CB 0.084 31.801 31.700 0.028 0.000 0.876 363 F N -0.808 118.919 119.950 -0.372 0.000 2.601 363 F HA 0.638 5.165 4.527 0.001 0.000 0.309 363 F C -0.901 174.542 175.800 -0.595 0.000 1.089 363 F CA -0.728 57.078 58.000 -0.322 0.000 0.940 363 F CB 1.742 40.602 39.000 -0.232 0.000 1.273 363 F HN 0.251 nan 8.300 nan 0.000 0.450 364 H N 1.650 120.866 119.070 0.244 0.000 3.198 364 H HA 0.268 4.825 4.556 0.001 0.000 0.317 364 H C -1.302 174.277 175.328 0.417 0.000 1.178 364 H CA -0.548 55.710 56.048 0.350 0.000 1.609 364 H CB 1.685 31.632 29.762 0.308 0.000 1.819 364 H HN 0.785 nan 8.280 nan 0.000 0.533 365 S N 1.242 117.262 115.700 0.533 0.000 2.541 365 S HA 0.170 4.641 4.470 0.001 0.000 0.283 365 S C 1.315 175.946 174.600 0.051 0.000 1.196 365 S CA -0.219 58.125 58.200 0.239 0.000 1.062 365 S CB 0.985 64.342 63.200 0.261 0.000 1.009 365 S HN 0.629 nan 8.310 nan 0.000 0.502 366 S N 3.044 118.539 115.700 -0.341 0.000 2.607 366 S HA 0.088 4.559 4.470 0.001 0.000 0.224 366 S C 0.660 175.163 174.600 -0.162 0.000 0.969 366 S CA -0.223 57.722 58.200 -0.426 0.000 0.927 366 S CB -0.340 62.489 63.200 -0.619 0.000 0.772 366 S HN 0.532 nan 8.310 nan 0.000 0.533 367 S N 2.433 118.097 115.700 -0.060 0.000 2.572 367 S HA 0.429 4.900 4.470 0.001 0.000 0.279 367 S C 0.263 174.840 174.600 -0.039 0.000 1.341 367 S CA -0.353 57.846 58.200 -0.002 0.000 1.043 367 S CB 0.348 63.591 63.200 0.072 0.000 0.887 367 S HN 0.393 nan 8.310 nan 0.000 0.516 368 R N 1.311 121.798 120.500 -0.022 0.000 2.774 368 R HA 0.470 4.811 4.340 0.001 0.000 0.272 368 R C -0.434 175.923 176.300 0.096 0.000 1.000 368 R CA -0.569 55.505 56.100 -0.043 0.000 0.906 368 R CB 1.062 31.271 30.300 -0.152 0.000 1.227 368 R HN 0.735 nan 8.270 nan 0.000 0.468 369 D N -0.167 120.340 120.400 0.177 0.000 3.507 369 D HA -0.190 4.451 4.640 0.001 0.000 0.195 369 D C 0.406 176.781 176.300 0.125 0.000 1.323 369 D CA 1.907 55.987 54.000 0.133 0.000 1.106 369 D CB -1.135 39.706 40.800 0.068 0.000 0.619 369 D HN 0.891 nan 8.370 nan 0.000 0.732 370 G N -1.711 107.138 108.800 0.082 0.000 2.787 370 G HA2 -0.101 3.860 3.960 0.001 0.000 0.685 370 G HA3 -0.101 3.860 3.960 0.001 0.000 0.685 370 G C -0.176 174.782 174.900 0.096 0.000 1.437 370 G CA -0.013 45.152 45.100 0.107 0.000 0.872 370 G HN 0.545 nan 8.290 nan 0.000 0.566 374 N N 2.284 121.006 118.700 0.037 0.000 2.409 374 N HA 0.132 4.872 4.740 0.001 0.000 0.179 374 N C 1.039 176.492 175.510 -0.095 0.000 1.032 374 N CA 1.164 54.217 53.050 0.004 0.000 0.898 374 N CB 0.102 38.617 38.487 0.046 0.000 0.971 374 N HN 1.265 nan 8.380 nan 0.000 0.441 375 G N 0.118 108.741 108.800 -0.294 0.000 2.176 375 G HA2 -0.372 3.588 3.960 0.001 0.000 0.252 375 G HA3 -0.372 3.588 3.960 0.001 0.000 0.252 375 G C 0.477 174.988 174.900 -0.648 0.000 1.024 375 G CA 0.507 45.257 45.100 -0.585 0.000 0.755 375 G HN 0.692 nan 8.290 nan 0.000 0.507 376 Y N -0.521 119.444 120.300 -0.559 0.000 2.193 376 Y HA -0.191 4.359 4.550 0.001 0.000 0.285 376 Y C 2.351 178.118 175.900 -0.223 0.000 1.166 376 Y CA 1.860 59.783 58.100 -0.295 0.000 1.181 376 Y CB -0.921 37.436 38.460 -0.173 0.000 0.976 376 Y HN 0.644 nan 8.280 nan 0.000 0.520 377 Y N 0.319 120.236 120.300 -0.638 0.000 2.571 377 Y HA 0.424 4.974 4.550 0.001 0.000 0.294 377 Y C 1.723 177.507 175.900 -0.193 0.000 1.141 377 Y CA -0.753 57.062 58.100 -0.474 0.000 1.308 377 Y CB -1.192 36.858 38.460 -0.683 0.000 1.002 377 Y HN 0.395 nan 8.280 nan 0.000 0.551 378 G N 0.588 109.406 108.800 0.030 0.000 2.574 378 G HA2 -0.353 3.608 3.960 0.001 0.000 0.286 378 G HA3 -0.353 3.608 3.960 0.001 0.000 0.286 378 G C 0.953 175.929 174.900 0.127 0.000 1.212 378 G CA 0.628 45.767 45.100 0.064 0.000 0.979 378 G HN 0.446 nan 8.290 nan 0.000 0.557 379 S N 0.222 115.957 115.700 0.059 0.000 2.634 379 S HA 0.337 4.807 4.470 0.001 0.000 0.221 379 S C 0.767 175.371 174.600 0.006 0.000 0.952 379 S CA 0.275 58.496 58.200 0.036 0.000 0.930 379 S CB 0.055 63.265 63.200 0.016 0.000 0.780 379 S HN 0.689 nan 8.310 nan 0.000 0.498 380 L N 3.804 125.026 121.223 -0.002 0.000 2.483 380 L HA 0.127 4.468 4.340 0.001 0.000 0.276 380 L C 0.774 177.595 176.870 -0.082 0.000 1.213 380 L CA -0.087 54.712 54.840 -0.069 0.000 0.843 380 L CB 0.339 42.348 42.059 -0.084 0.000 1.107 380 L HN 0.261 nan 8.230 nan 0.000 0.487 381 Q N 3.041 122.765 119.800 -0.127 0.000 2.414 381 Q HA -0.063 4.277 4.340 0.001 0.000 0.288 381 Q C -0.435 175.561 176.000 -0.008 0.000 1.086 381 Q CA 0.408 56.152 55.803 -0.098 0.000 0.943 381 Q CB -0.090 28.486 28.738 -0.269 0.000 1.282 381 Q HN 0.807 nan 8.270 nan 0.000 0.438 382 N N 0.535 119.291 118.700 0.094 0.000 2.291 382 N HA 0.128 4.869 4.740 0.001 0.000 0.244 382 N C -0.962 174.666 175.510 0.196 0.000 1.216 382 N CA -0.389 52.739 53.050 0.131 0.000 0.879 382 N CB 0.014 38.521 38.487 0.034 0.000 1.167 382 N HN 0.632 nan 8.380 nan 0.000 0.515 383 Y N -2.173 118.202 120.300 0.125 0.000 2.615 383 Y HA 0.833 5.383 4.550 0.001 0.000 0.341 383 Y C -0.682 175.296 175.900 0.131 0.000 1.089 383 Y CA -1.159 56.985 58.100 0.073 0.000 1.049 383 Y CB 0.987 39.468 38.460 0.035 0.000 1.296 383 Y HN 0.034 nan 8.280 nan 0.000 0.470 384 T N -0.068 114.585 114.554 0.164 0.000 2.900 384 T HA 0.724 5.074 4.350 0.001 0.000 0.303 384 T C -2.761 172.050 174.700 0.184 0.000 1.142 384 T CA -1.328 60.847 62.100 0.125 0.000 1.007 384 T CB 1.424 70.336 68.868 0.073 0.000 1.156 384 T HN 0.851 nan 8.240 nan 0.000 0.490 385 P HA 0.704 nan 4.420 nan 0.000 0.282 385 P C -0.855 176.538 177.300 0.154 0.000 1.287 385 P CA -0.547 62.620 63.100 0.112 0.000 0.792 385 P CB 1.126 32.874 31.700 0.081 0.000 1.163 386 S N -1.963 113.787 115.700 0.084 0.000 2.547 386 S HA 0.324 4.795 4.470 0.001 0.000 0.270 386 S C 0.565 175.194 174.600 0.047 0.000 1.150 386 S CA -0.487 57.768 58.200 0.093 0.000 0.850 386 S CB 1.038 64.210 63.200 -0.047 0.000 1.118 386 S HN 0.320 nan 8.310 nan 0.000 0.461 387 S N 1.764 117.497 115.700 0.055 0.000 2.496 387 S HA 0.309 4.780 4.470 0.001 0.000 0.224 387 S C 0.507 175.112 174.600 0.009 0.000 0.996 387 S CA 0.191 58.409 58.200 0.029 0.000 0.927 387 S CB -0.334 62.887 63.200 0.035 0.000 0.774 387 S HN 0.523 nan 8.310 nan 0.000 0.524 388 L N 1.551 122.775 121.223 0.002 0.000 2.387 388 L HA 0.431 4.772 4.340 0.001 0.000 0.266 388 L C -2.334 174.502 176.870 -0.058 0.000 1.059 388 L CA -2.588 52.239 54.840 -0.022 0.000 0.801 388 L CB -0.214 41.837 42.059 -0.014 0.000 1.223 388 L HN -0.122 nan 8.230 nan 0.000 0.456 389 P HA 0.211 nan 4.420 nan 0.000 0.266 389 P C -0.190 177.017 177.300 -0.155 0.000 1.193 389 P CA 0.111 63.152 63.100 -0.099 0.000 0.770 389 P CB 0.585 32.227 31.700 -0.097 0.000 0.836 390 G N 0.068 108.760 108.800 -0.180 0.000 2.428 390 G HA2 0.248 4.209 3.960 0.001 0.000 0.305 390 G HA3 0.248 4.209 3.960 0.001 0.000 0.305 390 G C -1.582 173.163 174.900 -0.258 0.000 1.260 390 G CA -0.764 44.173 45.100 -0.271 0.000 0.853 390 G HN 0.285 nan 8.290 nan 0.000 0.480 391 Y N 1.584 121.807 120.300 -0.128 0.000 2.721 391 Y HA 0.296 4.847 4.550 0.001 0.000 0.329 391 Y C 0.828 176.695 175.900 -0.056 0.000 1.211 391 Y CA 0.416 58.467 58.100 -0.082 0.000 1.512 391 Y CB 0.676 39.097 38.460 -0.063 0.000 1.249 391 Y HN -0.071 nan 8.280 nan 0.000 0.549 392 K N 4.392 124.859 120.400 0.111 0.000 2.358 392 K HA 0.279 4.599 4.320 0.001 0.000 0.260 392 K C -0.504 176.145 176.600 0.082 0.000 0.956 392 K CA -0.664 55.662 56.287 0.065 0.000 0.834 392 K CB 1.673 34.185 32.500 0.020 0.000 1.102 392 K HN 0.695 nan 8.250 nan 0.000 0.431 393 E N 1.047 121.286 120.200 0.065 0.000 2.390 393 E HA 0.002 4.353 4.350 0.001 0.000 0.261 393 E C -0.458 176.169 176.600 0.046 0.000 1.076 393 E CA -0.191 56.243 56.400 0.057 0.000 0.905 393 E CB 0.628 30.353 29.700 0.043 0.000 0.984 393 E HN 0.265 nan 8.360 nan 0.000 0.427 394 D N 1.589 122.016 120.400 0.045 0.000 2.467 394 D HA 0.073 4.713 4.640 0.001 0.000 0.220 394 D C -0.068 176.247 176.300 0.026 0.000 1.103 394 D CA -0.160 53.861 54.000 0.035 0.000 0.886 394 D CB 0.486 41.308 40.800 0.037 0.000 1.025 394 D HN 0.246 nan 8.370 nan 0.000 0.514 395 K N 0.792 121.205 120.400 0.021 0.000 2.486 395 K HA -0.054 4.267 4.320 0.001 0.000 0.194 395 K C 1.797 178.404 176.600 0.012 0.000 1.033 395 K CA 0.372 56.670 56.287 0.017 0.000 1.004 395 K CB 0.255 32.764 32.500 0.016 0.000 0.798 395 K HN 0.346 nan 8.250 nan 0.000 0.495 396 S N 0.460 116.166 115.700 0.011 0.000 2.469 396 S HA -0.084 4.386 4.470 0.001 0.000 0.238 396 S C 1.921 176.522 174.600 0.002 0.000 0.998 396 S CA 0.874 59.078 58.200 0.007 0.000 0.957 396 S CB -0.037 63.167 63.200 0.007 0.000 0.764 396 S HN 0.253 nan 8.310 nan 0.000 0.514 397 A N 1.120 123.942 122.820 0.003 0.000 2.251 397 A HA 0.290 4.611 4.320 0.001 0.000 0.209 397 A C 1.132 178.710 177.584 -0.010 0.000 1.187 397 A CA -0.404 51.629 52.037 -0.005 0.000 0.823 397 A CB -0.482 18.518 19.000 -0.000 0.000 0.846 397 A HN 0.559 nan 8.150 nan 0.000 0.486 398 R N 1.198 121.697 120.500 -0.002 0.000 2.538 398 R HA -0.021 4.320 4.340 0.001 0.000 0.282 398 R C -0.972 175.321 176.300 -0.011 0.000 1.009 398 R CA -0.079 56.021 56.100 -0.000 0.000 1.063 398 R CB 0.161 30.464 30.300 0.005 0.000 0.945 398 R HN 0.225 nan 8.270 nan 0.000 0.414 399 D N 5.431 125.823 120.400 -0.012 0.000 2.383 399 D HA 0.145 4.786 4.640 0.001 0.000 0.252 399 D C -2.047 174.249 176.300 -0.008 0.000 1.166 399 D CA -1.479 52.507 54.000 -0.024 0.000 0.879 399 D CB 0.964 41.752 40.800 -0.020 0.000 1.164 399 D HN 0.337 nan 8.370 nan 0.000 0.462 400 P HA 0.042 nan 4.420 nan 0.000 0.268 400 P C -0.237 177.079 177.300 0.026 0.000 1.208 400 P CA -0.184 62.911 63.100 -0.009 0.000 0.777 400 P CB 0.413 32.092 31.700 -0.034 0.000 0.875 401 K N 0.997 121.415 120.400 0.030 0.000 2.561 401 K HA 0.031 4.351 4.320 0.001 0.000 0.280 401 K C -0.497 176.178 176.600 0.124 0.000 0.975 401 K CA 0.569 56.886 56.287 0.050 0.000 1.024 401 K CB -0.054 32.449 32.500 0.005 0.000 0.883 401 K HN 0.344 nan 8.250 nan 0.000 0.496 402 F N 4.480 124.392 119.950 -0.064 0.000 2.445 402 F HA 0.260 4.788 4.527 0.001 0.000 0.348 402 F C -0.672 175.050 175.800 -0.131 0.000 1.125 402 F CA -1.505 56.455 58.000 -0.067 0.000 0.983 402 F CB 0.811 39.815 39.000 0.006 0.000 1.198 402 F HN 0.370 nan 8.300 nan 0.000 0.436 403 N N 6.736 125.127 118.700 -0.516 0.000 2.420 403 N HA 0.192 4.932 4.740 0.001 0.000 0.249 403 N C 0.849 175.813 175.510 -0.911 0.000 1.033 403 N CA -0.121 52.499 53.050 -0.716 0.000 0.944 403 N CB 0.775 38.785 38.487 -0.794 0.000 1.113 403 N HN 0.876 nan 8.380 nan 0.000 0.502 404 L N 2.458 123.220 121.223 -0.769 0.000 2.265 404 L HA -0.124 4.217 4.340 0.001 0.000 0.215 404 L C 2.096 178.917 176.870 -0.082 0.000 1.117 404 L CA 0.946 55.474 54.840 -0.520 0.000 0.782 404 L CB -0.397 41.511 42.059 -0.251 0.000 0.914 404 L HN 0.571 nan 8.230 nan 0.000 0.441 405 A N -0.700 122.040 122.820 -0.135 0.000 2.131 405 A HA -0.218 4.102 4.320 0.001 0.000 0.220 405 A C 1.865 179.583 177.584 0.225 0.000 1.158 405 A CA 1.252 53.392 52.037 0.172 0.000 0.665 405 A CB -0.905 18.126 19.000 0.051 0.000 0.795 405 A HN 0.546 nan 8.150 nan 0.000 0.460 406 H N -1.072 118.021 119.070 0.038 0.000 2.546 406 H HA 0.105 4.662 4.556 0.002 0.000 0.277 406 H C 1.713 177.154 175.328 0.189 0.000 1.004 406 H CA 1.013 57.136 56.048 0.125 0.000 1.231 406 H CB 0.031 29.910 29.762 0.195 0.000 1.382 406 H HN 0.778 nan 8.280 nan 0.000 0.580 407 I N -1.994 118.726 120.570 0.250 0.000 4.592 407 I HA 0.257 4.427 4.170 0.001 0.000 0.329 407 I C -0.030 176.126 176.117 0.065 0.000 1.309 407 I CA -0.302 61.131 61.300 0.221 0.000 1.243 407 I CB 0.947 39.113 38.000 0.277 0.000 1.241 407 I HN 0.028 nan 8.210 nan 0.000 0.434 408 E N 1.165 121.376 120.200 0.019 0.000 2.437 408 E HA 0.421 4.772 4.350 0.001 0.000 0.280 408 E C -1.023 175.449 176.600 -0.213 0.000 1.044 408 E CA -0.941 55.369 56.400 -0.150 0.000 0.826 408 E CB 1.386 30.922 29.700 -0.274 0.000 1.358 408 E HN 0.013 nan 8.360 nan 0.000 0.459 409 K N -0.112 120.047 120.400 -0.400 0.000 2.355 409 K HA 0.233 4.553 4.320 0.001 0.000 0.198 409 K C -0.361 175.694 176.600 -0.908 0.000 1.039 409 K CA 0.187 56.186 56.287 -0.479 0.000 1.075 409 K CB 0.784 33.142 32.500 -0.237 0.000 0.870 409 K HN 0.376 nan 8.250 nan 0.000 0.540 410 E N -0.036 119.519 120.200 -1.074 0.000 2.238 410 E HA 0.314 4.664 4.350 0.001 0.000 0.267 410 E C -0.733 175.191 176.600 -1.127 0.000 0.887 410 E CA -0.510 55.326 56.400 -0.940 0.000 0.769 410 E CB 1.219 30.613 29.700 -0.510 0.000 1.187 410 E HN 0.009 nan 8.360 nan 0.000 0.416 411 F N 0.054 119.961 119.950 -0.072 0.000 2.798 411 F HA 0.201 4.729 4.527 0.001 0.000 0.328 411 F C 0.239 176.097 175.800 0.097 0.000 1.098 411 F CA -0.558 57.413 58.000 -0.049 0.000 1.172 411 F CB 0.699 39.662 39.000 -0.062 0.000 1.072 411 F HN 0.284 nan 8.300 nan 0.000 0.555 412 E N 1.266 121.680 120.200 0.357 0.000 2.415 412 E HA 0.153 4.504 4.350 0.001 0.000 0.262 412 E C -0.057 176.835 176.600 0.485 0.000 1.038 412 E CA -0.143 56.465 56.400 0.346 0.000 0.921 412 E CB 0.884 30.704 29.700 0.200 0.000 0.950 412 E HN -0.114 nan 8.360 nan 0.000 0.438 413 V N 3.915 124.011 119.914 0.303 0.000 2.485 413 V HA 0.109 4.229 4.120 0.001 0.000 0.287 413 V C -0.510 175.783 176.094 0.331 0.000 1.022 413 V CA 0.377 62.864 62.300 0.311 0.000 1.067 413 V CB -0.606 31.323 31.823 0.177 0.000 0.967 413 V HN 0.597 nan 8.190 nan 0.000 0.479 414 W N 4.675 126.022 121.300 0.078 0.000 2.926 414 W HA 0.343 5.004 4.660 0.001 0.000 0.361 414 W C -0.997 175.432 176.519 -0.150 0.000 1.195 414 W CA -1.311 55.882 57.345 -0.253 0.000 1.177 414 W CB 1.214 30.172 29.460 -0.836 0.000 1.453 414 W HN 0.535 nan 8.180 nan 0.000 0.571 415 N N 2.283 120.727 118.700 -0.426 0.000 2.719 415 N HA 0.128 4.869 4.740 0.001 0.000 0.243 415 N C -1.067 174.107 175.510 -0.559 0.000 1.104 415 N CA -0.105 52.716 53.050 -0.382 0.000 0.981 415 N CB -0.215 38.045 38.487 -0.378 0.000 1.290 415 N HN 0.281 nan 8.380 nan 0.000 0.513 416 W N 1.024 122.234 121.300 -0.150 0.000 2.345 416 W HA 0.169 4.830 4.660 0.002 0.000 0.308 416 W C 0.727 177.200 176.519 -0.077 0.000 1.273 416 W CA -0.562 56.739 57.345 -0.073 0.000 1.243 416 W CB 0.517 30.019 29.460 0.070 0.000 1.260 416 W HN 0.322 nan 8.180 nan 0.000 0.509 417 D N 2.863 123.315 120.400 0.086 0.000 2.389 417 D HA -0.139 4.502 4.640 0.001 0.000 0.263 417 D C 0.798 177.238 176.300 0.232 0.000 1.255 417 D CA 0.339 54.403 54.000 0.108 0.000 0.914 417 D CB 0.272 41.104 40.800 0.053 0.000 1.116 417 D HN 0.528 nan 8.370 nan 0.000 0.502 418 Y N 3.963 124.335 120.300 0.121 0.000 2.256 418 Y HA -0.221 4.329 4.550 0.001 0.000 0.288 418 Y C 2.105 178.083 175.900 0.130 0.000 1.155 418 Y CA 1.059 59.240 58.100 0.136 0.000 1.203 418 Y CB 0.359 38.885 38.460 0.111 0.000 0.980 418 Y HN 0.423 nan 8.280 nan 0.000 0.530 419 R N -0.677 120.016 120.500 0.323 0.000 2.189 419 R HA -0.064 4.277 4.340 0.001 0.000 0.218 419 R C 2.277 178.685 176.300 0.179 0.000 1.074 419 R CA 0.731 56.980 56.100 0.248 0.000 0.991 419 R CB -0.251 30.180 30.300 0.217 0.000 0.883 419 R HN 0.296 nan 8.270 nan 0.000 0.457 420 A N 0.923 123.850 122.820 0.178 0.000 2.016 420 A HA -0.142 4.179 4.320 0.001 0.000 0.217 420 A C 1.626 179.289 177.584 0.133 0.000 1.162 420 A CA 1.383 53.509 52.037 0.147 0.000 0.662 420 A CB -0.113 18.987 19.000 0.168 0.000 0.812 420 A HN 0.211 nan 8.150 nan 0.000 0.450 421 D N -0.792 119.700 120.400 0.154 0.000 2.183 421 D HA -0.033 4.607 4.640 0.001 0.000 0.205 421 D C 0.045 176.419 176.300 0.123 0.000 0.962 421 D CA 0.903 54.963 54.000 0.101 0.000 0.849 421 D CB 0.226 41.052 40.800 0.044 0.000 0.978 421 D HN 0.312 nan 8.370 nan 0.000 0.488 422 D N -0.924 119.592 120.400 0.193 0.000 2.891 422 D HA 0.087 4.727 4.640 0.001 0.000 0.224 422 D C -1.020 175.260 176.300 -0.033 0.000 1.321 422 D CA -0.250 53.830 54.000 0.134 0.000 0.929 422 D CB 1.451 42.442 40.800 0.319 0.000 1.551 422 D HN 0.026 nan 8.370 nan 0.000 0.574 423 S N 2.063 117.607 115.700 -0.261 0.000 2.711 423 S HA 0.137 4.608 4.470 0.001 0.000 0.247 423 S C 0.015 173.957 174.600 -1.097 0.000 1.079 423 S CA -0.690 57.000 58.200 -0.849 0.000 1.050 423 S CB 0.247 63.193 63.200 -0.423 0.000 0.885 423 S HN 0.310 nan 8.310 nan 0.000 0.498 424 D N 1.468 121.507 120.400 -0.602 0.000 2.631 424 D HA 0.244 4.885 4.640 0.001 0.000 0.227 424 D C 0.135 176.238 176.300 -0.329 0.000 1.146 424 D CA -0.620 53.183 54.000 -0.328 0.000 1.009 424 D CB -0.399 40.366 40.800 -0.058 0.000 1.057 424 D HN 0.496 nan 8.370 nan 0.000 0.509 425 Y N 0.219 120.279 120.300 -0.400 0.000 2.517 425 Y HA 0.007 4.558 4.550 0.001 0.000 0.281 425 Y C 0.826 176.381 175.900 -0.575 0.000 1.125 425 Y CA 0.213 57.933 58.100 -0.635 0.000 1.283 425 Y CB 0.253 37.992 38.460 -1.201 0.000 1.042 425 Y HN 0.337 nan 8.280 nan 0.000 0.547 426 Y N -2.404 117.976 120.300 0.134 0.000 2.483 426 Y HA 0.038 4.589 4.550 0.001 0.000 0.258 426 Y C 2.190 178.142 175.900 0.087 0.000 1.083 426 Y CA 0.109 58.271 58.100 0.103 0.000 1.283 426 Y CB -0.131 38.388 38.460 0.099 0.000 1.178 426 Y HN -0.112 nan 8.280 nan 0.000 0.515 427 T N 0.535 115.214 114.554 0.208 0.000 2.652 427 T HA -0.231 4.120 4.350 0.001 0.000 0.267 427 T C 1.734 176.527 174.700 0.155 0.000 1.039 427 T CA 1.925 64.153 62.100 0.213 0.000 1.153 427 T CB -0.253 68.786 68.868 0.284 0.000 0.863 427 T HN 0.392 nan 8.240 nan 0.000 0.428 428 Q N 0.200 120.017 119.800 0.028 0.000 2.079 428 Q HA -0.044 4.296 4.340 0.001 0.000 0.200 428 Q C -0.442 175.323 176.000 -0.392 0.000 0.974 428 Q CA 1.255 56.975 55.803 -0.137 0.000 0.840 428 Q CB -1.067 27.540 28.738 -0.219 0.000 0.898 428 Q HN 0.438 nan 8.270 nan 0.000 0.430 429 P HA -0.146 nan 4.420 nan 0.000 0.216 429 P C 1.302 178.693 177.300 0.152 0.000 1.150 429 P CA 1.848 64.848 63.100 -0.167 0.000 0.837 429 P CB -0.368 31.392 31.700 0.100 0.000 0.786 430 G N 0.088 108.998 108.800 0.184 0.000 2.446 430 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 430 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 430 G C 1.230 176.255 174.900 0.209 0.000 1.168 430 G CA 0.993 46.233 45.100 0.234 0.000 0.771 430 G HN 0.176 nan 8.290 nan 0.000 0.551 431 D N -0.680 119.811 120.400 0.151 0.000 2.144 431 D HA -0.110 4.531 4.640 0.001 0.000 0.199 431 D C 1.938 178.297 176.300 0.098 0.000 0.984 431 D CA 0.797 54.867 54.000 0.118 0.000 0.834 431 D CB -0.293 40.583 40.800 0.127 0.000 0.955 431 D HN 0.387 nan 8.370 nan 0.000 0.465 432 Y N 0.408 120.686 120.300 -0.036 0.000 2.133 432 Y HA -0.257 4.293 4.550 0.001 0.000 0.287 432 Y C 2.310 178.225 175.900 0.025 0.000 1.134 432 Y CA 1.209 59.309 58.100 0.000 0.000 1.133 432 Y CB -0.838 37.616 38.460 -0.010 0.000 0.987 432 Y HN -0.031 nan 8.280 nan 0.000 0.502 433 Y N 1.198 121.432 120.300 -0.110 0.000 2.081 433 Y HA -0.323 4.228 4.550 0.001 0.000 0.280 433 Y C 2.552 178.301 175.900 -0.250 0.000 1.163 433 Y CA 2.492 60.431 58.100 -0.268 0.000 1.135 433 Y CB -0.486 37.868 38.460 -0.177 0.000 0.970 433 Y HN 0.045 nan 8.280 nan 0.000 0.498 434 R N -0.199 120.278 120.500 -0.039 0.000 2.120 434 R HA -0.148 4.193 4.340 0.001 0.000 0.234 434 R C 2.568 178.746 176.300 -0.204 0.000 1.123 434 R CA 1.406 57.439 56.100 -0.112 0.000 0.975 434 R CB -0.556 29.776 30.300 0.053 0.000 0.866 434 R HN 0.528 nan 8.270 nan 0.000 0.446 435 S N 0.572 116.149 115.700 -0.205 0.000 2.474 435 S HA -0.032 4.439 4.470 0.001 0.000 0.235 435 S C 0.938 175.359 174.600 -0.298 0.000 0.997 435 S CA 0.324 58.402 58.200 -0.204 0.000 0.949 435 S CB -0.259 62.855 63.200 -0.145 0.000 0.766 435 S HN 0.120 nan 8.310 nan 0.000 0.517 436 L N 2.586 123.534 121.223 -0.457 0.000 2.380 436 L HA 0.384 4.725 4.340 0.001 0.000 0.273 436 L C -2.238 174.408 176.870 -0.373 0.000 1.138 436 L CA -2.271 52.282 54.840 -0.478 0.000 0.832 436 L CB 0.097 41.776 42.059 -0.635 0.000 1.124 436 L HN 0.076 nan 8.230 nan 0.000 0.454 437 P HA 0.035 nan 4.420 nan 0.000 0.270 437 P C 0.210 177.361 177.300 -0.249 0.000 1.223 437 P CA -0.250 62.718 63.100 -0.220 0.000 0.785 437 P CB 0.803 32.404 31.700 -0.164 0.000 0.923 438 A N 2.633 125.335 122.820 -0.196 0.000 1.940 438 A HA -0.231 4.089 4.320 0.001 0.000 0.219 438 A C 1.753 179.225 177.584 -0.188 0.000 1.176 438 A CA 2.136 54.063 52.037 -0.185 0.000 0.631 438 A CB -1.302 17.630 19.000 -0.114 0.000 0.814 438 A HN 0.700 nan 8.150 nan 0.000 0.446 439 D N -0.355 119.952 120.400 -0.156 0.000 2.123 439 D HA -0.211 4.430 4.640 0.001 0.000 0.200 439 D C 1.768 177.956 176.300 -0.186 0.000 0.976 439 D CA 1.410 55.328 54.000 -0.137 0.000 0.831 439 D CB -0.738 40.008 40.800 -0.090 0.000 0.974 439 D HN 0.682 nan 8.370 nan 0.000 0.469 440 E N 1.308 121.371 120.200 -0.228 0.000 2.051 440 E HA -0.203 4.147 4.350 0.001 0.000 0.192 440 E C 2.045 178.433 176.600 -0.354 0.000 0.991 440 E CA 1.003 57.232 56.400 -0.285 0.000 0.799 440 E CB 0.059 29.571 29.700 -0.313 0.000 0.748 440 E HN 0.163 nan 8.360 nan 0.000 0.449 441 K N 0.148 120.283 120.400 -0.443 0.000 2.089 441 K HA -0.205 4.115 4.320 0.001 0.000 0.210 441 K C 2.135 178.261 176.600 -0.791 0.000 1.048 441 K CA 1.588 57.497 56.287 -0.630 0.000 0.926 441 K CB -0.055 32.064 32.500 -0.636 0.000 0.714 441 K HN 0.154 nan 8.250 nan 0.000 0.448 442 E N 0.435 120.351 120.200 -0.474 0.000 2.107 442 E HA -0.119 4.232 4.350 0.001 0.000 0.191 442 E C 1.991 178.479 176.600 -0.187 0.000 0.982 442 E CA 0.984 57.196 56.400 -0.313 0.000 0.809 442 E CB -0.025 29.613 29.700 -0.104 0.000 0.756 442 E HN 0.298 nan 8.360 nan 0.000 0.459 443 R N 0.309 120.705 120.500 -0.173 0.000 2.092 443 R HA -0.078 4.262 4.340 0.001 0.000 0.231 443 R C 2.443 178.704 176.300 -0.066 0.000 1.119 443 R CA 0.699 56.745 56.100 -0.089 0.000 0.970 443 R CB -0.395 29.842 30.300 -0.105 0.000 0.864 443 R HN 0.083 nan 8.270 nan 0.000 0.440 444 L N 0.493 121.630 121.223 -0.145 0.000 2.017 444 L HA -0.184 4.157 4.340 0.001 0.000 0.208 444 L C 1.844 178.752 176.870 0.063 0.000 1.073 444 L CA 1.901 56.706 54.840 -0.058 0.000 0.745 444 L CB -0.578 41.394 42.059 -0.145 0.000 0.894 444 L HN 0.195 nan 8.230 nan 0.000 0.432 445 H N -1.392 117.690 119.070 0.021 0.000 2.319 445 H HA -0.208 4.348 4.556 0.001 0.000 0.299 445 H C 1.870 177.231 175.328 0.055 0.000 1.092 445 H CA 1.245 57.315 56.048 0.036 0.000 1.302 445 H CB -0.052 29.733 29.762 0.038 0.000 1.373 445 H HN 0.480 nan 8.280 nan 0.000 0.497 446 D N -0.239 120.277 120.400 0.193 0.000 2.117 446 D HA -0.119 4.522 4.640 0.001 0.000 0.198 446 D C 2.055 178.421 176.300 0.109 0.000 0.982 446 D CA 1.596 55.700 54.000 0.174 0.000 0.828 446 D CB -0.075 40.827 40.800 0.169 0.000 0.967 446 D HN 0.168 nan 8.370 nan 0.000 0.464 447 T N -0.090 114.529 114.554 0.109 0.000 2.746 447 T HA -0.086 4.264 4.350 0.001 0.000 0.267 447 T C 2.040 176.848 174.700 0.181 0.000 1.039 447 T CA 0.949 63.123 62.100 0.124 0.000 1.142 447 T CB -0.206 68.744 68.868 0.136 0.000 0.866 447 T HN 0.196 nan 8.240 nan 0.000 0.444 448 I N 0.964 121.661 120.570 0.211 0.000 2.252 448 I HA -0.055 4.115 4.170 0.001 0.000 0.245 448 I C 2.909 179.109 176.117 0.138 0.000 1.102 448 I CA 1.212 62.676 61.300 0.273 0.000 1.385 448 I CB -0.685 37.450 38.000 0.225 0.000 1.064 448 I HN 0.294 nan 8.210 nan 0.000 0.414 449 G N 0.167 109.009 108.800 0.070 0.000 2.432 449 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 449 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 449 G C 1.611 176.464 174.900 -0.079 0.000 1.135 449 G CA 0.463 45.577 45.100 0.024 0.000 0.767 449 G HN 0.303 nan 8.290 nan 0.000 0.550 450 E N 0.870 120.916 120.200 -0.257 0.000 2.072 450 E HA -0.111 4.239 4.350 0.001 0.000 0.191 450 E C 2.610 179.150 176.600 -0.100 0.000 0.985 450 E CA 1.208 57.295 56.400 -0.521 0.000 0.801 450 E CB -0.403 28.954 29.700 -0.571 0.000 0.750 450 E HN 0.325 nan 8.360 nan 0.000 0.452 451 S N 0.183 115.978 115.700 0.158 0.000 2.348 451 S HA -0.066 4.405 4.470 0.001 0.000 0.221 451 S C 2.237 177.032 174.600 0.325 0.000 1.033 451 S CA 0.980 59.465 58.200 0.474 0.000 1.010 451 S CB -0.268 63.413 63.200 0.801 0.000 0.891 451 S HN 0.307 nan 8.310 nan 0.000 0.442 452 L N 1.190 122.427 121.223 0.023 0.000 2.191 452 L HA -0.070 4.271 4.340 0.001 0.000 0.212 452 L C 2.752 179.541 176.870 -0.134 0.000 1.103 452 L CA 1.005 55.690 54.840 -0.258 0.000 0.769 452 L CB -0.599 41.233 42.059 -0.379 0.000 0.908 452 L HN 0.416 nan 8.230 nan 0.000 0.438 453 A N -1.202 121.536 122.820 -0.136 0.000 2.125 453 A HA -0.198 4.122 4.320 0.001 0.000 0.219 453 A C 1.913 179.343 177.584 -0.257 0.000 1.156 453 A CA 1.099 53.028 52.037 -0.179 0.000 0.671 453 A CB -0.650 18.244 19.000 -0.177 0.000 0.794 453 A HN 0.444 nan 8.150 nan 0.000 0.459 454 H N -0.956 118.013 119.070 -0.170 0.000 2.547 454 H HA 0.119 4.676 4.556 0.001 0.000 0.272 454 H C 0.144 175.440 175.328 -0.054 0.000 0.989 454 H CA 0.468 56.398 56.048 -0.197 0.000 1.214 454 H CB -0.097 29.319 29.762 -0.577 0.000 1.389 454 H HN 0.212 nan 8.280 nan 0.000 0.577 455 V N 2.490 122.463 119.914 0.098 0.000 2.555 455 V HA -0.035 4.086 4.120 0.001 0.000 0.286 455 V C 1.600 177.702 176.094 0.014 0.000 1.044 455 V CA 0.592 62.964 62.300 0.119 0.000 1.026 455 V CB 1.488 33.378 31.823 0.111 0.000 0.981 455 V HN 0.439 nan 8.190 nan 0.000 0.480 456 T N 0.552 115.077 114.554 -0.049 0.000 3.086 456 T HA 0.120 4.471 4.350 0.001 0.000 0.250 456 T C 0.493 174.971 174.700 -0.369 0.000 1.074 456 T CA 0.206 62.174 62.100 -0.220 0.000 0.988 456 T CB -0.238 68.456 68.868 -0.290 0.000 0.988 456 T HN 0.666 nan 8.240 nan 0.000 0.530 457 H N 1.126 120.214 119.070 0.031 0.000 2.685 457 H HA 0.395 4.952 4.556 0.001 0.000 0.307 457 H C 0.640 175.971 175.328 0.004 0.000 1.017 457 H CA -0.635 55.425 56.048 0.020 0.000 1.237 457 H CB 2.044 31.824 29.762 0.031 0.000 1.409 457 H HN 0.163 nan 8.280 nan 0.000 0.488 458 K N 2.368 122.809 120.400 0.069 0.000 2.148 458 K HA -0.147 4.173 4.320 0.001 0.000 0.204 458 K C 0.913 177.524 176.600 0.019 0.000 1.050 458 K CA 1.185 57.486 56.287 0.022 0.000 0.942 458 K CB 0.460 32.961 32.500 0.001 0.000 0.724 458 K HN 0.414 nan 8.250 nan 0.000 0.446 459 E N 0.838 121.063 120.200 0.042 0.000 2.114 459 E HA -0.223 4.128 4.350 0.001 0.000 0.199 459 E C 1.781 178.382 176.600 0.002 0.000 1.008 459 E CA 1.697 58.107 56.400 0.016 0.000 0.810 459 E CB -0.149 29.566 29.700 0.025 0.000 0.739 459 E HN 0.369 nan 8.360 nan 0.000 0.456 460 I N -0.154 120.442 120.570 0.043 0.000 2.202 460 I HA -0.227 3.944 4.170 0.001 0.000 0.242 460 I C 2.109 178.220 176.117 -0.010 0.000 1.091 460 I CA 0.685 62.015 61.300 0.050 0.000 1.368 460 I CB -0.251 37.829 38.000 0.134 0.000 1.058 460 I HN 0.016 nan 8.210 nan 0.000 0.410 461 V N 0.935 120.830 119.914 -0.032 0.000 2.295 461 V HA -0.306 3.815 4.120 0.001 0.000 0.246 461 V C 2.118 178.140 176.094 -0.120 0.000 1.049 461 V CA 2.057 64.293 62.300 -0.106 0.000 1.024 461 V CB -0.712 31.054 31.823 -0.094 0.000 0.648 461 V HN 0.386 nan 8.190 nan 0.000 0.447 462 D N -0.104 120.241 120.400 -0.092 0.000 2.104 462 D HA -0.207 4.433 4.640 0.001 0.000 0.194 462 D C 2.170 178.367 176.300 -0.173 0.000 0.994 462 D CA 1.585 55.521 54.000 -0.107 0.000 0.830 462 D CB -0.254 40.502 40.800 -0.073 0.000 0.959 462 D HN 0.414 nan 8.370 nan 0.000 0.452 463 K N 0.130 120.416 120.400 -0.190 0.000 2.097 463 K HA -0.194 4.127 4.320 0.001 0.000 0.205 463 K C 2.067 178.315 176.600 -0.587 0.000 1.050 463 K CA 1.072 57.168 56.287 -0.318 0.000 0.938 463 K CB 0.100 32.472 32.500 -0.213 0.000 0.718 463 K HN -0.097 nan 8.250 nan 0.000 0.442 464 Q N 0.910 120.466 119.800 -0.406 0.000 2.079 464 Q HA -0.057 4.284 4.340 0.001 0.000 0.200 464 Q C 1.888 177.526 176.000 -0.603 0.000 0.974 464 Q CA 1.352 56.860 55.803 -0.492 0.000 0.840 464 Q CB -0.122 28.441 28.738 -0.293 0.000 0.898 464 Q HN 0.356 nan 8.270 nan 0.000 0.430 465 L N 0.285 121.318 121.223 -0.315 0.000 2.042 465 L HA -0.182 4.159 4.340 0.001 0.000 0.210 465 L C 2.503 179.271 176.870 -0.170 0.000 1.076 465 L CA 1.344 56.116 54.840 -0.113 0.000 0.749 465 L CB -0.497 41.528 42.059 -0.058 0.000 0.893 465 L HN 0.273 nan 8.230 nan 0.000 0.432 466 E N -0.420 119.629 120.200 -0.251 0.000 2.085 466 E HA -0.227 4.124 4.350 0.001 0.000 0.194 466 E C 2.185 178.654 176.600 -0.220 0.000 0.994 466 E CA 1.295 57.565 56.400 -0.218 0.000 0.801 466 E CB -0.115 29.449 29.700 -0.227 0.000 0.743 466 E HN 0.540 nan 8.360 nan 0.000 0.453 467 H N -0.323 118.577 119.070 -0.283 0.000 2.321 467 H HA -0.086 4.470 4.556 0.001 0.000 0.300 467 H C 2.221 177.358 175.328 -0.319 0.000 1.087 467 H CA 1.024 56.887 56.048 -0.308 0.000 1.319 467 H CB -0.995 28.654 29.762 -0.188 0.000 1.379 467 H HN 0.239 nan 8.280 nan 0.000 0.501 468 F N 1.182 121.031 119.950 -0.168 0.000 2.120 468 F HA -0.265 4.262 4.527 0.001 0.000 0.300 468 F C 2.703 178.301 175.800 -0.335 0.000 1.095 468 F CA 1.324 59.042 58.000 -0.470 0.000 1.249 468 F CB -0.104 38.502 39.000 -0.656 0.000 0.995 468 F HN 0.110 nan 8.300 nan 0.000 0.480 469 K N 1.042 121.401 120.400 -0.070 0.000 2.057 469 K HA -0.193 4.127 4.320 0.001 0.000 0.207 469 K C 1.839 178.371 176.600 -0.113 0.000 1.049 469 K CA 1.452 57.690 56.287 -0.083 0.000 0.931 469 K CB -0.082 32.367 32.500 -0.085 0.000 0.714 469 K HN 0.121 nan 8.250 nan 0.000 0.440 470 K N -0.195 120.062 120.400 -0.239 0.000 2.148 470 K HA -0.090 4.231 4.320 0.001 0.000 0.204 470 K C 2.087 178.613 176.600 -0.124 0.000 1.050 470 K CA 1.075 57.161 56.287 -0.335 0.000 0.942 470 K CB -0.074 31.855 32.500 -0.952 0.000 0.724 470 K HN 0.235 nan 8.250 nan 0.000 0.446 471 A N 0.955 123.762 122.820 -0.022 0.000 1.854 471 A HA -0.105 4.215 4.320 0.001 0.000 0.214 471 A C 0.751 178.411 177.584 0.126 0.000 1.192 471 A CA 1.203 53.335 52.037 0.157 0.000 0.611 471 A CB 0.152 19.302 19.000 0.249 0.000 0.832 471 A HN 0.284 nan 8.150 nan 0.000 0.442 472 D N -3.276 117.163 120.400 0.066 0.000 2.795 472 D HA 0.219 4.859 4.640 0.001 0.000 0.206 472 D C -2.668 173.637 176.300 0.008 0.000 1.278 472 D CA -1.056 52.976 54.000 0.054 0.000 0.839 472 D CB 1.455 42.302 40.800 0.078 0.000 1.700 472 D HN -0.161 nan 8.370 nan 0.000 0.549 473 P HA -0.091 nan 4.420 nan 0.000 0.218 473 P C 1.040 178.343 177.300 0.004 0.000 1.148 473 P CA 1.146 64.247 63.100 0.002 0.000 0.822 473 P CB 0.457 32.163 31.700 0.010 0.000 0.784 474 K N -1.646 118.781 120.400 0.045 0.000 2.148 474 K HA -0.148 4.173 4.320 0.001 0.000 0.204 474 K C 2.262 178.884 176.600 0.036 0.000 1.050 474 K CA 0.967 57.302 56.287 0.079 0.000 0.942 474 K CB -0.549 32.071 32.500 0.199 0.000 0.724 474 K HN 0.230 nan 8.250 nan 0.000 0.446 475 Y N 0.871 120.975 120.300 -0.327 0.000 2.114 475 Y HA -0.300 4.250 4.550 0.001 0.000 0.284 475 Y C 2.327 177.987 175.900 -0.399 0.000 1.143 475 Y CA 0.897 58.634 58.100 -0.605 0.000 1.135 475 Y CB 0.029 37.883 38.460 -1.009 0.000 0.980 475 Y HN 0.092 nan 8.280 nan 0.000 0.499 476 A N 0.453 123.219 122.820 -0.091 0.000 1.877 476 A HA -0.243 4.077 4.320 0.001 0.000 0.216 476 A C 1.931 179.447 177.584 -0.112 0.000 1.186 476 A CA 1.990 53.977 52.037 -0.085 0.000 0.620 476 A CB -0.809 18.172 19.000 -0.031 0.000 0.822 476 A HN 0.636 nan 8.150 nan 0.000 0.443 477 E N -0.861 119.274 120.200 -0.108 0.000 2.085 477 E HA -0.142 4.209 4.350 0.001 0.000 0.194 477 E C 2.137 178.615 176.600 -0.203 0.000 0.994 477 E CA 0.856 57.188 56.400 -0.113 0.000 0.801 477 E CB -0.358 29.299 29.700 -0.072 0.000 0.743 477 E HN 0.626 nan 8.360 nan 0.000 0.453 478 G N 0.616 109.168 108.800 -0.413 0.000 2.402 478 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 478 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 478 G C 1.719 176.319 174.900 -0.501 0.000 1.162 478 G CA 0.644 45.240 45.100 -0.839 0.000 0.777 478 G HN 0.118 nan 8.290 nan 0.000 0.539 479 V N 0.654 120.347 119.914 -0.369 0.000 2.358 479 V HA -0.123 3.998 4.120 0.001 0.000 0.246 479 V C 2.661 178.701 176.094 -0.089 0.000 1.047 479 V CA 2.165 64.368 62.300 -0.161 0.000 1.035 479 V CB -0.389 31.274 31.823 -0.268 0.000 0.658 479 V HN 0.371 nan 8.190 nan 0.000 0.452 480 K N 0.374 120.716 120.400 -0.096 0.000 2.032 480 K HA -0.257 4.063 4.320 0.001 0.000 0.209 480 K C 2.323 178.898 176.600 -0.041 0.000 1.048 480 K CA 1.949 58.202 56.287 -0.056 0.000 0.927 480 K CB -0.174 32.292 32.500 -0.056 0.000 0.712 480 K HN 0.369 nan 8.250 nan 0.000 0.441 481 K N -0.121 120.249 120.400 -0.050 0.000 2.097 481 K HA -0.112 4.209 4.320 0.001 0.000 0.206 481 K C 1.832 178.433 176.600 0.001 0.000 1.049 481 K CA 1.226 57.496 56.287 -0.028 0.000 0.933 481 K CB -0.085 32.396 32.500 -0.031 0.000 0.717 481 K HN 0.206 nan 8.250 nan 0.000 0.442 482 A N 1.037 123.875 122.820 0.029 0.000 1.970 482 A HA -0.068 4.252 4.320 0.001 0.000 0.216 482 A C 1.963 179.638 177.584 0.152 0.000 1.170 482 A CA 0.866 52.972 52.037 0.115 0.000 0.645 482 A CB -0.419 18.683 19.000 0.169 0.000 0.816 482 A HN 0.381 nan 8.150 nan 0.000 0.447 483 L N 0.292 121.554 121.223 0.065 0.000 1.994 483 L HA -0.138 4.203 4.340 0.001 0.000 0.208 483 L C 2.105 178.992 176.870 0.028 0.000 1.071 483 L CA 2.543 57.406 54.840 0.039 0.000 0.745 483 L CB -0.777 41.271 42.059 -0.019 0.000 0.892 483 L HN 0.500 nan 8.230 nan 0.000 0.431 484 E N -0.029 120.172 120.200 0.001 0.000 2.085 484 E HA -0.321 4.030 4.350 0.001 0.000 0.194 484 E C 2.079 178.665 176.600 -0.025 0.000 0.994 484 E CA 1.791 58.181 56.400 -0.016 0.000 0.801 484 E CB -0.259 29.427 29.700 -0.023 0.000 0.743 484 E HN 0.648 nan 8.360 nan 0.000 0.453 485 K N 0.452 120.832 120.400 -0.034 0.000 2.097 485 K HA -0.151 4.170 4.320 0.001 0.000 0.205 485 K C 1.820 178.324 176.600 -0.160 0.000 1.050 485 K CA 1.459 57.685 56.287 -0.102 0.000 0.938 485 K CB -0.116 32.306 32.500 -0.130 0.000 0.718 485 K HN 0.188 nan 8.250 nan 0.000 0.442 486 H N 0.326 119.370 119.070 -0.043 0.000 2.547 486 H HA 0.037 4.593 4.556 0.001 0.000 0.272 486 H C 1.582 176.854 175.328 -0.094 0.000 0.989 486 H CA 1.022 57.031 56.048 -0.065 0.000 1.214 486 H CB 0.423 30.141 29.762 -0.074 0.000 1.389 486 H HN 0.489 nan 8.280 nan 0.000 0.577 487 Q N 0.510 120.315 119.800 0.007 0.000 2.163 487 Q HA 0.000 4.341 4.340 0.001 0.000 0.198 487 Q C 1.365 177.342 176.000 -0.039 0.000 0.954 487 Q CA 0.514 56.297 55.803 -0.033 0.000 0.851 487 Q CB 0.405 29.121 28.738 -0.037 0.000 0.928 487 Q HN 0.171 nan 8.270 nan 0.000 0.459 488 K N -0.130 120.245 120.400 -0.041 0.000 2.589 488 K HA 0.034 4.354 4.320 0.001 0.000 0.204 488 K C 0.773 177.344 176.600 -0.049 0.000 1.029 488 K CA 0.168 56.429 56.287 -0.043 0.000 1.177 488 K CB 0.310 32.783 32.500 -0.044 0.000 0.902 488 K HN 0.127 nan 8.250 nan 0.000 0.501 489 M N -0.317 119.253 119.600 -0.049 0.000 2.393 489 M HA 0.137 4.617 4.480 0.001 0.000 0.270 489 M C 0.241 176.526 176.300 -0.025 0.000 1.127 489 M CA 0.804 56.078 55.300 -0.043 0.000 1.104 489 M CB 0.748 33.313 32.600 -0.059 0.000 1.523 489 M HN 0.006 nan 8.290 nan 0.000 0.546 490 M N -0.523 119.059 119.600 -0.029 0.000 3.075 490 M HA 0.485 4.966 4.480 0.001 0.000 0.340 490 M C -0.555 175.727 176.300 -0.030 0.000 1.329 490 M CA -0.246 55.038 55.300 -0.028 0.000 0.778 490 M CB 0.390 32.968 32.600 -0.038 0.000 1.389 490 M HN -0.292 nan 8.290 nan 0.000 0.499 491 K N 0.000 120.384 120.400 -0.027 0.000 2.780 491 K HA 0.000 4.321 4.320 0.001 0.000 0.191 491 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 491 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 491 K HN 0.000 nan 8.250 nan 0.000 0.543