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 1noi_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPXXXXXEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKP DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAPD 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.298 176.300 -0.004 0.000 0.893 10 R CA 0.000 56.097 56.100 -0.006 0.000 0.921 10 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 11 K N 1.217 121.616 120.400 -0.002 0.000 2.044 11 K HA -0.194 4.128 4.320 0.003 0.000 0.210 11 K C 1.022 177.621 176.600 -0.001 0.000 1.049 11 K CA 1.868 58.155 56.287 0.000 0.000 0.927 11 K CB -0.123 32.377 32.500 0.001 0.000 0.713 11 K HN 0.358 nan 8.250 nan 0.000 0.443 12 Q N 0.406 120.205 119.800 -0.002 0.000 2.362 12 Q HA 0.039 4.380 4.340 0.003 0.000 0.215 12 Q C -0.459 175.538 176.000 -0.004 0.000 0.944 12 Q CA 0.065 55.867 55.803 -0.003 0.000 0.964 12 Q CB -0.027 28.709 28.738 -0.004 0.000 0.998 12 Q HN 0.224 nan 8.270 nan 0.000 0.488 13 I N 0.754 121.321 120.570 -0.004 0.000 2.782 13 I HA 0.195 4.366 4.170 0.003 0.000 0.279 13 I C -0.675 175.440 176.117 -0.005 0.000 1.247 13 I CA -0.474 60.822 61.300 -0.006 0.000 1.062 13 I CB 1.251 39.246 38.000 -0.009 0.000 1.421 13 I HN -0.010 nan 8.210 nan 0.000 0.558 14 S N 2.829 118.528 115.700 -0.003 0.000 2.661 14 S HA 0.466 4.938 4.470 0.003 0.000 0.285 14 S C 0.574 175.174 174.600 0.001 0.000 1.138 14 S CA -0.600 57.600 58.200 -0.000 0.000 0.855 14 S CB 2.017 65.218 63.200 0.002 0.000 1.136 14 S HN 0.116 nan 8.310 nan 0.000 0.484 15 V N 2.595 122.511 119.914 0.003 0.000 3.541 15 V HA 0.120 4.241 4.120 0.003 0.000 0.272 15 V C 2.057 178.155 176.094 0.006 0.000 1.215 15 V CA 1.095 63.398 62.300 0.005 0.000 1.176 15 V CB -1.933 29.895 31.823 0.010 0.000 0.854 15 V HN 1.004 nan 8.190 nan 0.000 0.496 16 R N 1.716 122.219 120.500 0.005 0.000 3.624 16 R HA -0.290 4.052 4.340 0.003 0.000 0.234 16 R C 1.115 177.419 176.300 0.007 0.000 0.768 16 R CA 2.214 58.317 56.100 0.005 0.000 0.927 16 R CB -1.296 29.005 30.300 0.003 0.000 1.208 16 R HN 1.299 nan 8.270 nan 0.000 0.337 17 G N -2.875 105.930 108.800 0.008 0.000 2.885 17 G HA2 0.166 4.128 3.960 0.003 0.000 0.233 17 G HA3 0.166 4.128 3.960 0.003 0.000 0.233 17 G C -1.014 173.893 174.900 0.011 0.000 2.964 17 G CA -0.194 44.913 45.100 0.012 0.000 0.824 17 G HN 0.128 nan 8.290 nan 0.000 0.441 18 L N 1.511 122.737 121.223 0.006 0.000 2.783 18 L HA 0.790 5.132 4.340 0.003 0.000 0.235 18 L C 0.708 177.565 176.870 -0.021 0.000 1.260 18 L CA 0.381 55.219 54.840 -0.005 0.000 1.184 18 L CB 0.062 42.116 42.059 -0.009 0.000 1.472 18 L HN 1.474 nan 8.230 nan 0.000 0.426 19 A N -0.386 122.440 122.820 0.010 0.000 2.282 19 A HA 0.404 4.726 4.320 0.003 0.000 0.603 19 A C 0.641 178.286 177.584 0.101 0.000 0.274 19 A CA -0.180 51.888 52.037 0.050 0.000 0.253 19 A CB -1.030 17.947 19.000 -0.039 0.000 3.435 19 A HN 0.404 nan 8.150 nan 0.000 0.498 20 G N -0.013 108.861 108.800 0.123 0.000 3.042 20 G HA2 0.546 4.508 3.960 0.003 0.000 0.212 20 G HA3 0.546 4.508 3.960 0.003 0.000 0.212 20 G C 1.001 175.957 174.900 0.094 0.000 1.166 20 G CA 1.338 46.493 45.100 0.091 0.000 0.767 20 G HN 2.301 nan 8.290 nan 0.000 0.546 21 V N -0.132 119.875 119.914 0.154 0.000 0.691 21 V HA -0.277 3.845 4.120 0.003 0.000 0.092 21 V C 0.763 176.850 176.094 -0.013 0.000 0.769 21 V CA 1.053 63.383 62.300 0.051 0.000 3.097 21 V CB -0.766 31.089 31.823 0.053 0.000 0.181 21 V HN 0.584 nan 8.190 nan 0.000 0.065 22 E N 2.489 122.661 120.200 -0.046 0.000 2.910 22 E HA -0.096 4.256 4.350 0.003 0.000 0.235 22 E C 0.158 176.751 176.600 -0.012 0.000 1.117 22 E CA 0.829 57.206 56.400 -0.040 0.000 0.944 22 E CB -0.684 28.994 29.700 -0.037 0.000 1.067 22 E HN 0.472 nan 8.360 nan 0.000 0.445 23 N N 1.315 120.013 118.700 -0.004 0.000 2.697 23 N HA 0.007 4.749 4.740 0.003 0.000 0.271 23 N C 0.312 175.835 175.510 0.022 0.000 1.149 23 N CA -0.190 52.869 53.050 0.015 0.000 0.939 23 N CB 1.460 39.966 38.487 0.032 0.000 1.534 23 N HN -0.010 nan 8.380 nan 0.000 0.556 24 V N 2.620 122.543 119.914 0.015 0.000 2.287 24 V HA -0.214 3.908 4.120 0.003 0.000 0.248 24 V C 2.200 178.312 176.094 0.030 0.000 1.053 24 V CA 2.429 64.739 62.300 0.017 0.000 1.027 24 V CB -0.603 31.227 31.823 0.012 0.000 0.646 24 V HN 0.727 nan 8.190 nan 0.000 0.447 25 T N -0.438 114.135 114.554 0.030 0.000 2.699 25 T HA -0.223 4.128 4.350 0.003 0.000 0.268 25 T C 1.824 176.555 174.700 0.052 0.000 1.036 25 T CA 1.658 63.779 62.100 0.035 0.000 1.147 25 T CB -0.265 68.621 68.868 0.029 0.000 0.862 25 T HN 0.449 nan 8.240 nan 0.000 0.446 26 E N 0.763 121.002 120.200 0.066 0.000 2.158 26 E HA 0.119 4.471 4.350 0.003 0.000 0.191 26 E C 2.321 178.995 176.600 0.124 0.000 0.982 26 E CA 0.405 56.859 56.400 0.091 0.000 0.823 26 E CB -0.374 29.389 29.700 0.104 0.000 0.766 26 E HN 0.455 nan 8.360 nan 0.000 0.468 27 L N 0.874 122.171 121.223 0.122 0.000 2.093 27 L HA -0.152 4.190 4.340 0.003 0.000 0.208 27 L C 2.363 179.327 176.870 0.156 0.000 1.085 27 L CA 1.148 56.081 54.840 0.154 0.000 0.755 27 L CB -0.197 41.917 42.059 0.092 0.000 0.904 27 L HN 0.033 nan 8.230 nan 0.000 0.435 28 K N 0.177 120.638 120.400 0.101 0.000 2.057 28 K HA -0.220 4.102 4.320 0.003 0.000 0.206 28 K C 2.070 178.767 176.600 0.161 0.000 1.050 28 K CA 1.231 57.580 56.287 0.102 0.000 0.935 28 K CB -0.144 32.378 32.500 0.037 0.000 0.715 28 K HN 0.226 nan 8.250 nan 0.000 0.439 29 K N 1.457 121.929 120.400 0.121 0.000 2.020 29 K HA -0.177 4.144 4.320 0.003 0.000 0.212 29 K C 1.681 178.348 176.600 0.111 0.000 1.050 29 K CA 1.801 58.149 56.287 0.101 0.000 0.929 29 K CB -0.052 32.493 32.500 0.075 0.000 0.714 29 K HN 0.021 nan 8.250 nan 0.000 0.443 30 N N -0.164 118.621 118.700 0.141 0.000 2.409 30 N HA -0.105 4.637 4.740 0.003 0.000 0.179 30 N C 1.524 177.164 175.510 0.216 0.000 1.032 30 N CA 0.725 53.853 53.050 0.131 0.000 0.898 30 N CB -0.240 38.353 38.487 0.177 0.000 0.971 30 N HN 0.211 nan 8.380 nan 0.000 0.441 31 F N 2.388 122.408 119.950 0.118 0.000 2.075 31 F HA -0.069 4.460 4.527 0.003 0.000 0.297 31 F C 2.042 177.884 175.800 0.069 0.000 1.113 31 F CA 1.284 59.354 58.000 0.117 0.000 1.218 31 F CB -0.240 38.806 39.000 0.077 0.000 0.984 31 F HN -0.032 nan 8.300 nan 0.000 0.472 32 N N 0.448 119.270 118.700 0.203 0.000 2.188 32 N HA -0.126 4.616 4.740 0.003 0.000 0.184 32 N C 1.969 177.442 175.510 -0.062 0.000 1.018 32 N CA 1.081 54.200 53.050 0.115 0.000 0.858 32 N CB -0.246 38.359 38.487 0.198 0.000 0.989 32 N HN 0.380 nan 8.380 nan 0.000 0.426 33 R N -0.191 120.218 120.500 -0.150 0.000 2.073 33 R HA -0.068 4.274 4.340 0.003 0.000 0.234 33 R C 1.909 177.984 176.300 -0.375 0.000 1.134 33 R CA 1.229 57.117 56.100 -0.353 0.000 0.952 33 R CB -0.458 29.679 30.300 -0.272 0.000 0.850 33 R HN 0.473 nan 8.270 nan 0.000 0.433 34 H N -0.029 118.909 119.070 -0.220 0.000 2.389 34 H HA -0.080 4.478 4.556 0.003 0.000 0.299 34 H C 1.961 177.075 175.328 -0.356 0.000 1.081 34 H CA 1.067 56.964 56.048 -0.251 0.000 1.345 34 H CB 0.101 29.744 29.762 -0.199 0.000 1.393 34 H HN 0.025 nan 8.280 nan 0.000 0.520 35 L N 0.074 121.057 121.223 -0.400 0.000 2.046 35 L HA -0.199 4.142 4.340 0.003 0.000 0.208 35 L C 1.631 178.189 176.870 -0.520 0.000 1.077 35 L CA 1.905 56.429 54.840 -0.527 0.000 0.747 35 L CB -0.249 41.386 42.059 -0.706 0.000 0.896 35 L HN 0.313 nan 8.230 nan 0.000 0.432 36 H N -2.899 115.974 119.070 -0.328 0.000 2.344 36 H HA 0.052 4.610 4.556 0.003 0.000 0.307 36 H C 1.540 176.744 175.328 -0.206 0.000 1.057 36 H CA 1.617 57.447 56.048 -0.363 0.000 1.373 36 H CB 0.015 29.390 29.762 -0.645 0.000 1.421 36 H HN 0.193 nan 8.280 nan 0.000 0.532 37 F N -0.327 119.637 119.950 0.022 0.000 2.530 37 F HA 0.071 4.600 4.527 0.003 0.000 0.292 37 F C 2.143 177.902 175.800 -0.069 0.000 1.109 37 F CA 0.678 58.660 58.000 -0.030 0.000 1.450 37 F CB -0.552 38.415 39.000 -0.055 0.000 1.114 37 F HN 0.051 nan 8.300 nan 0.000 0.560 38 T N -0.176 114.409 114.554 0.052 0.000 2.901 38 T HA 0.026 4.378 4.350 0.003 0.000 0.252 38 T C 1.851 176.492 174.700 -0.099 0.000 1.035 38 T CA 0.715 62.793 62.100 -0.036 0.000 1.142 38 T CB -0.184 68.655 68.868 -0.049 0.000 0.869 38 T HN -0.036 nan 8.240 nan 0.000 0.442 39 L N 1.056 122.207 121.223 -0.119 0.000 2.477 39 L HA 0.273 4.615 4.340 0.003 0.000 0.220 39 L C 0.590 177.399 176.870 -0.100 0.000 1.106 39 L CA 0.441 55.198 54.840 -0.139 0.000 0.851 39 L CB -0.405 41.549 42.059 -0.176 0.000 0.994 39 L HN 0.037 nan 8.230 nan 0.000 0.462 40 V N 0.074 119.956 119.914 -0.052 0.000 5.949 40 V HA -0.296 3.826 4.120 0.003 0.000 0.287 40 V C 0.394 176.469 176.094 -0.032 0.000 0.603 40 V CA 0.794 63.092 62.300 -0.004 0.000 0.608 40 V CB -2.138 29.689 31.823 0.007 0.000 0.259 40 V HN 0.345 nan 8.190 nan 0.000 0.742 41 K N 1.008 121.365 120.400 -0.072 0.000 2.399 41 K HA 0.862 5.184 4.320 0.003 0.000 0.260 41 K C -0.359 176.204 176.600 -0.062 0.000 1.049 41 K CA -0.247 55.986 56.287 -0.090 0.000 0.890 41 K CB 2.480 34.874 32.500 -0.177 0.000 1.430 41 K HN 0.500 nan 8.250 nan 0.000 0.459 42 D N -1.986 118.393 120.400 -0.034 0.000 2.812 42 D HA 0.193 4.835 4.640 0.003 0.000 0.318 42 D C 0.540 176.867 176.300 0.044 0.000 1.234 42 D CA -0.671 53.372 54.000 0.071 0.000 0.989 42 D CB 0.329 41.257 40.800 0.214 0.000 1.442 42 D HN 0.397 nan 8.370 nan 0.000 0.537 43 R N -0.021 120.577 120.500 0.164 0.000 2.193 43 R HA 0.038 4.380 4.340 0.003 0.000 0.229 43 R C 0.889 177.264 176.300 0.124 0.000 1.110 43 R CA 1.561 57.776 56.100 0.192 0.000 0.988 43 R CB -0.972 29.461 30.300 0.222 0.000 0.871 43 R HN 0.355 nan 8.270 nan 0.000 0.458 44 N N 0.152 118.902 118.700 0.084 0.000 2.216 44 N HA -0.085 4.657 4.740 0.003 0.000 0.183 44 N C 1.344 176.874 175.510 0.033 0.000 1.017 44 N CA 1.146 54.231 53.050 0.058 0.000 0.861 44 N CB 0.129 38.643 38.487 0.046 0.000 0.986 44 N HN -0.013 nan 8.380 nan 0.000 0.428 45 V N 0.238 120.158 119.914 0.009 0.000 3.431 45 V HA 0.321 4.443 4.120 0.003 0.000 0.253 45 V C 0.527 176.572 176.094 -0.082 0.000 1.184 45 V CA -0.047 62.238 62.300 -0.024 0.000 1.104 45 V CB -0.143 31.670 31.823 -0.016 0.000 0.799 45 V HN 0.273 nan 8.190 nan 0.000 0.462 46 A N 0.089 122.816 122.820 -0.155 0.000 2.462 46 A HA 0.474 4.795 4.320 0.003 0.000 0.243 46 A C 0.378 177.784 177.584 -0.297 0.000 1.076 46 A CA 0.587 52.408 52.037 -0.361 0.000 0.773 46 A CB 0.313 18.855 19.000 -0.764 0.000 1.010 46 A HN 0.275 nan 8.150 nan 0.000 0.493 47 T N 1.903 116.289 114.554 -0.280 0.000 2.952 47 T HA 0.488 4.840 4.350 0.003 0.000 0.286 47 T C -1.688 172.958 174.700 -0.091 0.000 1.024 47 T CA -1.527 60.506 62.100 -0.113 0.000 1.029 47 T CB 1.182 69.999 68.868 -0.085 0.000 1.094 47 T HN 0.376 nan 8.240 nan 0.000 0.515 48 P HA -0.194 nan 4.420 nan 0.000 0.217 48 P C 1.515 178.942 177.300 0.212 0.000 1.162 48 P CA 1.356 64.589 63.100 0.222 0.000 0.901 48 P CB 0.066 31.857 31.700 0.151 0.000 0.793 49 R N -0.177 120.400 120.500 0.128 0.000 2.127 49 R HA -0.182 4.160 4.340 0.003 0.000 0.238 49 R C 1.506 177.987 176.300 0.303 0.000 1.134 49 R CA 2.010 58.242 56.100 0.221 0.000 0.975 49 R CB -0.782 29.549 30.300 0.052 0.000 0.865 49 R HN 0.150 nan 8.270 nan 0.000 0.447 50 D N -0.409 120.026 120.400 0.057 0.000 2.178 50 D HA -0.147 4.495 4.640 0.003 0.000 0.202 50 D C 1.591 177.875 176.300 -0.028 0.000 0.974 50 D CA 1.144 55.111 54.000 -0.056 0.000 0.841 50 D CB -0.201 40.422 40.800 -0.294 0.000 0.953 50 D HN 0.334 nan 8.370 nan 0.000 0.478 51 Y N -0.238 120.142 120.300 0.134 0.000 2.314 51 Y HA -0.147 4.405 4.550 0.003 0.000 0.293 51 Y C 2.236 178.269 175.900 0.221 0.000 1.129 51 Y CA 0.225 58.457 58.100 0.220 0.000 1.201 51 Y CB -0.882 37.762 38.460 0.307 0.000 0.999 51 Y HN 0.046 nan 8.280 nan 0.000 0.541 52 Y N -0.518 119.955 120.300 0.288 0.000 2.145 52 Y HA -0.246 4.306 4.550 0.003 0.000 0.286 52 Y C 1.858 177.769 175.900 0.018 0.000 1.145 52 Y CA 1.129 59.308 58.100 0.131 0.000 1.148 52 Y CB -1.114 37.358 38.460 0.020 0.000 0.981 52 Y HN 0.044 nan 8.280 nan 0.000 0.507 53 F N 0.310 119.959 119.950 -0.502 0.000 2.234 53 F HA -0.098 4.431 4.527 0.003 0.000 0.299 53 F C 2.623 178.200 175.800 -0.371 0.000 1.087 53 F CA 1.402 59.069 58.000 -0.555 0.000 1.340 53 F CB -0.837 38.029 39.000 -0.223 0.000 1.031 53 F HN 0.201 nan 8.300 nan 0.000 0.500 54 A N -0.359 122.385 122.820 -0.126 0.000 1.930 54 A HA -0.156 4.166 4.320 0.003 0.000 0.217 54 A C 2.069 179.525 177.584 -0.213 0.000 1.175 54 A CA 1.422 53.277 52.037 -0.303 0.000 0.627 54 A CB -0.965 17.600 19.000 -0.725 0.000 0.815 54 A HN 0.330 nan 8.150 nan 0.000 0.443 55 L N -0.223 121.028 121.223 0.047 0.000 2.027 55 L HA -0.020 4.322 4.340 0.003 0.000 0.206 55 L C 2.732 179.565 176.870 -0.062 0.000 1.074 55 L CA 2.078 57.037 54.840 0.199 0.000 0.745 55 L CB -0.940 41.285 42.059 0.276 0.000 0.898 55 L HN 0.354 nan 8.230 nan 0.000 0.433 56 A N -1.053 121.541 122.820 -0.376 0.000 1.873 56 A HA -0.330 3.992 4.320 0.003 0.000 0.218 56 A C 2.175 179.322 177.584 -0.728 0.000 1.193 56 A CA 2.330 53.978 52.037 -0.648 0.000 0.629 56 A CB -1.196 17.070 19.000 -1.224 0.000 0.826 56 A HN 0.691 nan 8.150 nan 0.000 0.447 57 H N -1.047 117.685 119.070 -0.564 0.000 2.428 57 H HA -0.024 4.534 4.556 0.003 0.000 0.296 57 H C 2.346 177.356 175.328 -0.531 0.000 1.062 57 H CA 1.732 57.380 56.048 -0.666 0.000 1.350 57 H CB -0.108 29.032 29.762 -1.035 0.000 1.403 57 H HN 0.490 nan 8.280 nan 0.000 0.533 58 T N -0.263 114.193 114.554 -0.163 0.000 2.708 58 T HA -0.147 4.205 4.350 0.003 0.000 0.266 58 T C 2.262 177.099 174.700 0.230 0.000 1.037 58 T CA 1.396 63.589 62.100 0.154 0.000 1.146 58 T CB -0.432 68.605 68.868 0.282 0.000 0.865 58 T HN 0.097 nan 8.240 nan 0.000 0.435 59 V N 1.251 121.271 119.914 0.177 0.000 2.358 59 V HA -0.138 3.984 4.120 0.003 0.000 0.246 59 V C 2.649 178.900 176.094 0.261 0.000 1.047 59 V CA 1.556 64.007 62.300 0.251 0.000 1.035 59 V CB -0.599 31.371 31.823 0.245 0.000 0.658 59 V HN 0.339 nan 8.190 nan 0.000 0.452 60 R N -0.022 120.551 120.500 0.120 0.000 2.091 60 R HA -0.209 4.132 4.340 0.003 0.000 0.238 60 R C 2.115 178.481 176.300 0.110 0.000 1.136 60 R CA 2.034 58.194 56.100 0.100 0.000 0.959 60 R CB -0.422 29.788 30.300 -0.150 0.000 0.856 60 R HN 0.532 nan 8.270 nan 0.000 0.437 61 D N -0.429 120.018 120.400 0.079 0.000 2.133 61 D HA -0.191 4.451 4.640 0.003 0.000 0.192 61 D C 1.771 178.047 176.300 -0.039 0.000 1.001 61 D CA 1.689 55.703 54.000 0.024 0.000 0.844 61 D CB -0.439 40.339 40.800 -0.038 0.000 0.944 61 D HN 0.493 nan 8.370 nan 0.000 0.447 62 H N -0.289 118.838 119.070 0.095 0.000 2.428 62 H HA 0.119 4.677 4.556 0.003 0.000 0.296 62 H C 2.184 177.551 175.328 0.065 0.000 1.062 62 H CA 0.285 56.377 56.048 0.072 0.000 1.350 62 H CB -0.045 29.751 29.762 0.056 0.000 1.403 62 H HN 0.064 nan 8.280 nan 0.000 0.533 63 L N 0.527 121.857 121.223 0.178 0.000 2.005 63 L HA -0.157 4.184 4.340 0.003 0.000 0.207 63 L C 2.257 179.205 176.870 0.131 0.000 1.072 63 L CA 1.295 56.194 54.840 0.100 0.000 0.744 63 L CB -0.183 41.917 42.059 0.068 0.000 0.895 63 L HN 0.324 nan 8.230 nan 0.000 0.433 64 V N -3.138 116.895 119.914 0.198 0.000 2.427 64 V HA -0.069 4.053 4.120 0.003 0.000 0.248 64 V C 2.400 178.643 176.094 0.247 0.000 1.051 64 V CA 1.524 64.038 62.300 0.357 0.000 1.048 64 V CB -1.895 30.138 31.823 0.349 0.000 0.666 64 V HN 0.454 nan 8.190 nan 0.000 0.456 65 G N 0.561 109.445 108.800 0.139 0.000 2.491 65 G HA2 -0.294 3.668 3.960 0.003 0.000 0.218 65 G HA3 -0.294 3.668 3.960 0.003 0.000 0.218 65 G C 1.786 176.746 174.900 0.100 0.000 1.180 65 G CA 1.206 46.361 45.100 0.091 0.000 0.774 65 G HN 0.515 nan 8.290 nan 0.000 0.562 66 R N -1.460 119.104 120.500 0.107 0.000 2.115 66 R HA -0.075 4.267 4.340 0.003 0.000 0.230 66 R C 2.239 178.622 176.300 0.139 0.000 1.111 66 R CA 1.132 57.282 56.100 0.083 0.000 0.976 66 R CB -0.328 30.002 30.300 0.050 0.000 0.870 66 R HN 0.542 nan 8.270 nan 0.000 0.445 67 W N 1.432 122.712 121.300 -0.033 0.000 2.381 67 W HA -0.052 4.610 4.660 0.003 0.000 0.301 67 W C 1.538 178.022 176.519 -0.058 0.000 1.205 67 W CA 0.908 58.223 57.345 -0.050 0.000 1.285 67 W CB -0.458 28.989 29.460 -0.022 0.000 1.133 67 W HN -0.070 nan 8.180 nan 0.000 0.521 68 I N 0.553 121.202 120.570 0.132 0.000 2.179 68 I HA -0.317 3.855 4.170 0.003 0.000 0.242 68 I C 2.603 178.703 176.117 -0.029 0.000 1.088 68 I CA 1.562 62.827 61.300 -0.060 0.000 1.357 68 I CB -0.659 37.319 38.000 -0.037 0.000 1.051 68 I HN -0.113 nan 8.210 nan 0.000 0.409 69 R N 0.147 120.656 120.500 0.014 0.000 2.120 69 R HA -0.116 4.225 4.340 0.003 0.000 0.234 69 R C 2.277 178.561 176.300 -0.026 0.000 1.123 69 R CA 1.850 57.952 56.100 0.003 0.000 0.975 69 R CB -0.672 29.631 30.300 0.006 0.000 0.866 69 R HN 0.385 nan 8.270 nan 0.000 0.446 70 T N 1.091 115.611 114.554 -0.057 0.000 2.777 70 T HA -0.095 4.257 4.350 0.003 0.000 0.266 70 T C 1.767 176.229 174.700 -0.396 0.000 1.040 70 T CA 0.926 62.894 62.100 -0.220 0.000 1.141 70 T CB -0.035 68.722 68.868 -0.185 0.000 0.868 70 T HN 0.168 nan 8.240 nan 0.000 0.444 71 Q N 1.157 120.828 119.800 -0.216 0.000 2.172 71 Q HA 0.018 4.360 4.340 0.003 0.000 0.200 71 Q C 2.327 178.308 176.000 -0.032 0.000 0.964 71 Q CA 1.075 56.783 55.803 -0.158 0.000 0.855 71 Q CB -0.363 28.303 28.738 -0.119 0.000 0.918 71 Q HN 0.629 nan 8.270 nan 0.000 0.444 72 Q N -0.287 119.511 119.800 -0.004 0.000 2.050 72 Q HA -0.212 4.130 4.340 0.003 0.000 0.202 72 Q C 2.010 178.086 176.000 0.126 0.000 0.980 72 Q CA 1.627 57.485 55.803 0.092 0.000 0.840 72 Q CB -0.290 28.490 28.738 0.071 0.000 0.898 72 Q HN 0.504 nan 8.270 nan 0.000 0.424 73 H N -0.661 118.397 119.070 -0.020 0.000 2.426 73 H HA -0.192 4.366 4.556 0.003 0.000 0.298 73 H C 1.206 176.598 175.328 0.107 0.000 1.107 73 H CA 1.684 57.729 56.048 -0.005 0.000 1.298 73 H CB 0.020 29.739 29.762 -0.071 0.000 1.377 73 H HN 0.280 nan 8.280 nan 0.000 0.519 74 Y N -1.252 119.005 120.300 -0.072 0.000 2.457 74 Y HA -0.097 4.455 4.550 0.003 0.000 0.292 74 Y C 2.163 178.059 175.900 -0.007 0.000 1.125 74 Y CA 0.649 58.703 58.100 -0.076 0.000 1.254 74 Y CB -1.073 37.435 38.460 0.080 0.000 1.012 74 Y HN 0.367 nan 8.280 nan 0.000 0.555 75 Y N 2.033 122.382 120.300 0.082 0.000 2.153 75 Y HA -0.148 4.403 4.550 0.003 0.000 0.289 75 Y C 1.952 177.843 175.900 -0.013 0.000 1.127 75 Y CA 1.848 59.975 58.100 0.044 0.000 1.131 75 Y CB -0.319 38.154 38.460 0.021 0.000 0.995 75 Y HN 0.148 nan 8.280 nan 0.000 0.505 76 E N -0.162 119.826 120.200 -0.353 0.000 2.418 76 E HA -0.142 4.210 4.350 0.003 0.000 0.197 76 E C 1.387 177.800 176.600 -0.312 0.000 1.026 76 E CA 1.017 57.158 56.400 -0.433 0.000 0.862 76 E CB -0.098 29.490 29.700 -0.186 0.000 0.799 76 E HN 0.305 nan 8.360 nan 0.000 0.518 77 K N 1.194 121.436 120.400 -0.262 0.000 2.374 77 K HA 0.059 4.381 4.320 0.003 0.000 0.202 77 K C -0.750 175.780 176.600 -0.116 0.000 1.040 77 K CA -0.150 56.019 56.287 -0.196 0.000 1.085 77 K CB 0.327 32.645 32.500 -0.302 0.000 0.873 77 K HN -0.139 nan 8.250 nan 0.000 0.539 78 D N 3.303 123.644 120.400 -0.098 0.000 8.139 78 D HA -0.167 4.475 4.640 0.003 0.000 0.164 78 D C -2.211 174.117 176.300 0.046 0.000 1.327 78 D CA 0.371 54.383 54.000 0.020 0.000 0.890 78 D CB 0.235 41.068 40.800 0.055 0.000 1.703 78 D HN 0.275 nan 8.370 nan 0.000 0.970 79 P HA 0.076 nan 4.420 nan 0.000 0.276 79 P C -0.390 176.899 177.300 -0.017 0.000 1.261 79 P CA -0.744 62.341 63.100 -0.026 0.000 0.800 79 P CB 0.824 32.463 31.700 -0.103 0.000 1.066 80 K N 1.398 121.783 120.400 -0.025 0.000 2.416 80 K HA 0.091 4.413 4.320 0.003 0.000 0.283 80 K C 0.019 176.547 176.600 -0.120 0.000 1.037 80 K CA -0.018 56.243 56.287 -0.043 0.000 0.995 80 K CB 0.238 32.729 32.500 -0.015 0.000 0.938 80 K HN 0.301 nan 8.250 nan 0.000 0.475 81 R N 3.981 124.392 120.500 -0.148 0.000 2.474 81 R HA 0.425 4.766 4.340 0.003 0.000 0.295 81 R C -0.500 175.535 176.300 -0.442 0.000 0.980 81 R CA -0.851 55.095 56.100 -0.257 0.000 0.934 81 R CB 1.338 31.540 30.300 -0.164 0.000 1.101 81 R HN 0.618 nan 8.270 nan 0.000 0.469 82 I N 2.847 123.087 120.570 -0.550 0.000 2.465 82 I HA 0.334 4.506 4.170 0.003 0.000 0.291 82 I C -1.556 174.215 176.117 -0.577 0.000 1.014 82 I CA -0.808 60.116 61.300 -0.626 0.000 1.093 82 I CB 1.327 38.811 38.000 -0.859 0.000 1.267 82 I HN 0.614 nan 8.210 nan 0.000 0.431 83 Y N 7.401 127.675 120.300 -0.043 0.000 2.342 83 Y HA 0.304 4.856 4.550 0.003 0.000 0.338 83 Y C -0.720 175.289 175.900 0.181 0.000 0.965 83 Y CA -0.558 57.637 58.100 0.158 0.000 1.159 83 Y CB 1.190 39.683 38.460 0.055 0.000 1.157 83 Y HN 0.456 nan 8.280 nan 0.000 0.486 84 Y N 4.967 125.440 120.300 0.288 0.000 2.434 84 Y HA 0.491 5.042 4.550 0.003 0.000 0.341 84 Y C -0.997 175.152 175.900 0.414 0.000 0.965 84 Y CA -1.098 57.168 58.100 0.277 0.000 1.205 84 Y CB 0.433 39.058 38.460 0.274 0.000 1.121 84 Y HN 0.464 nan 8.280 nan 0.000 0.507 85 L N 5.608 126.847 121.223 0.026 0.000 2.275 85 L HA 0.546 4.887 4.340 0.003 0.000 0.288 85 L C -0.040 176.810 176.870 -0.033 0.000 1.046 85 L CA -0.547 54.383 54.840 0.150 0.000 0.805 85 L CB 1.223 43.352 42.059 0.116 0.000 1.193 85 L HN 0.570 nan 8.230 nan 0.000 0.426 86 S N 2.390 118.135 115.700 0.075 0.000 2.536 86 S HA 0.454 4.926 4.470 0.003 0.000 0.271 86 S C -0.069 174.556 174.600 0.042 0.000 1.134 86 S CA -0.544 57.582 58.200 -0.124 0.000 0.897 86 S CB 1.732 64.618 63.200 -0.523 0.000 1.094 86 S HN 0.517 nan 8.310 nan 0.000 0.473 87 L N 2.971 124.258 121.223 0.106 0.000 2.645 87 L HA 0.466 4.808 4.340 0.003 0.000 0.235 87 L C 0.306 177.275 176.870 0.164 0.000 1.150 87 L CA 1.002 55.957 54.840 0.190 0.000 0.911 87 L CB -0.585 41.561 42.059 0.146 0.000 1.077 87 L HN 0.653 nan 8.230 nan 0.000 0.438 88 E N -1.339 118.843 120.200 -0.030 0.000 2.321 88 E HA 0.384 4.736 4.350 0.003 0.000 0.278 88 E C -1.442 174.994 176.600 -0.273 0.000 0.902 88 E CA -0.477 55.897 56.400 -0.043 0.000 0.758 88 E CB 1.977 31.603 29.700 -0.123 0.000 1.213 88 E HN -0.188 nan 8.360 nan 0.000 0.426 89 F N 2.203 122.223 119.950 0.117 0.000 2.716 89 F HA 0.204 4.733 4.527 0.003 0.000 0.354 89 F C -0.883 174.989 175.800 0.121 0.000 1.168 89 F CA -0.652 57.418 58.000 0.116 0.000 1.045 89 F CB 0.991 40.053 39.000 0.102 0.000 1.311 89 F HN 0.460 nan 8.300 nan 0.000 0.477 90 Y N 5.496 125.846 120.300 0.082 0.000 2.907 90 Y HA 0.259 4.811 4.550 0.003 0.000 0.332 90 Y C 0.961 176.853 175.900 -0.014 0.000 1.211 90 Y CA -1.250 56.847 58.100 -0.004 0.000 1.387 90 Y CB 0.373 38.817 38.460 -0.027 0.000 1.396 90 Y HN 0.538 nan 8.280 nan 0.000 0.519 91 M N 1.151 120.806 119.600 0.091 0.000 2.254 91 M HA 0.057 4.539 4.480 0.003 0.000 0.265 91 M C 1.585 177.786 176.300 -0.166 0.000 1.066 91 M CA 0.962 56.235 55.300 -0.045 0.000 1.123 91 M CB -1.170 31.391 32.600 -0.066 0.000 1.388 91 M HN 0.673 nan 8.290 nan 0.000 0.425 92 G N 3.615 112.301 108.800 -0.191 0.000 2.196 92 G HA2 -0.283 3.679 3.960 0.003 0.000 0.261 92 G HA3 -0.283 3.679 3.960 0.003 0.000 0.261 92 G C -0.315 174.447 174.900 -0.231 0.000 0.832 92 G CA 0.628 45.585 45.100 -0.238 0.000 1.246 92 G HN 0.625 nan 8.290 nan 0.000 0.383 93 R N -0.953 119.425 120.500 -0.203 0.000 1.317 93 R HA -0.132 4.210 4.340 0.003 0.000 0.418 93 R C 0.733 176.835 176.300 -0.329 0.000 1.296 93 R CA 0.761 56.728 56.100 -0.222 0.000 0.915 93 R CB -1.762 28.417 30.300 -0.201 0.000 2.946 93 R HN 0.491 nan 8.270 nan 0.000 0.503 94 T N 2.489 116.762 114.554 -0.468 0.000 2.990 94 T HA 0.124 4.476 4.350 0.003 0.000 0.249 94 T C 1.711 175.951 174.700 -0.768 0.000 1.039 94 T CA 0.182 61.805 62.100 -0.796 0.000 1.036 94 T CB 0.270 68.227 68.868 -1.519 0.000 0.994 94 T HN 0.420 nan 8.240 nan 0.000 0.489 95 L N 1.127 122.112 121.223 -0.397 0.000 1.988 95 L HA -0.104 4.237 4.340 0.003 0.000 0.207 95 L C 2.726 179.525 176.870 -0.118 0.000 1.071 95 L CA 1.750 56.534 54.840 -0.094 0.000 0.744 95 L CB -0.324 41.898 42.059 0.271 0.000 0.893 95 L HN 0.282 nan 8.230 nan 0.000 0.433 96 Q N -0.325 119.408 119.800 -0.112 0.000 2.119 96 Q HA -0.250 4.092 4.340 0.003 0.000 0.201 96 Q C 1.985 177.895 176.000 -0.149 0.000 0.972 96 Q CA 1.659 57.400 55.803 -0.103 0.000 0.847 96 Q CB -0.083 28.593 28.738 -0.103 0.000 0.903 96 Q HN 0.505 nan 8.270 nan 0.000 0.433 97 N N -0.942 117.628 118.700 -0.217 0.000 2.223 97 N HA -0.133 4.609 4.740 0.003 0.000 0.185 97 N C 1.247 176.643 175.510 -0.190 0.000 1.016 97 N CA 1.663 54.585 53.050 -0.214 0.000 0.863 97 N CB 0.129 38.452 38.487 -0.274 0.000 0.983 97 N HN 0.220 nan 8.380 nan 0.000 0.429 98 T N 1.138 115.549 114.554 -0.239 0.000 2.809 98 T HA 0.018 4.370 4.350 0.003 0.000 0.260 98 T C 2.047 176.684 174.700 -0.106 0.000 1.039 98 T CA 0.896 62.880 62.100 -0.193 0.000 1.141 98 T CB -0.018 68.692 68.868 -0.264 0.000 0.869 98 T HN 0.257 nan 8.240 nan 0.000 0.437 99 M N 1.244 120.798 119.600 -0.076 0.000 2.213 99 M HA -0.046 4.436 4.480 0.003 0.000 0.263 99 M C 2.615 178.877 176.300 -0.064 0.000 1.062 99 M CA 1.207 56.475 55.300 -0.054 0.000 1.105 99 M CB -0.662 31.919 32.600 -0.030 0.000 1.385 99 M HN 0.268 nan 8.290 nan 0.000 0.417 100 V N -1.360 118.521 119.914 -0.055 0.000 2.599 100 V HA -0.034 4.088 4.120 0.003 0.000 0.245 100 V C 1.616 177.696 176.094 -0.023 0.000 1.046 100 V CA 1.644 63.933 62.300 -0.018 0.000 1.065 100 V CB -0.662 31.175 31.823 0.023 0.000 0.703 100 V HN 0.313 nan 8.190 nan 0.000 0.464 101 N N 0.531 119.211 118.700 -0.033 0.000 2.364 101 N HA -0.024 4.718 4.740 0.003 0.000 0.183 101 N C 1.149 176.538 175.510 -0.202 0.000 1.022 101 N CA 1.387 54.391 53.050 -0.077 0.000 0.883 101 N CB -0.343 38.118 38.487 -0.043 0.000 0.965 101 N HN 0.467 nan 8.380 nan 0.000 0.438 102 L N -0.267 120.865 121.223 -0.152 0.000 2.640 102 L HA 0.393 4.735 4.340 0.003 0.000 0.230 102 L C 0.500 177.279 176.870 -0.152 0.000 1.123 102 L CA -0.113 54.642 54.840 -0.142 0.000 0.900 102 L CB -0.533 41.475 42.059 -0.085 0.000 1.146 102 L HN 0.091 nan 8.230 nan 0.000 0.484 103 A N -0.553 122.168 122.820 -0.166 0.000 2.745 103 A HA -0.232 4.090 4.320 0.003 0.000 0.296 103 A C 1.080 178.601 177.584 -0.105 0.000 1.500 103 A CA 1.071 53.028 52.037 -0.134 0.000 0.766 103 A CB -1.841 17.067 19.000 -0.153 0.000 1.030 103 A HN 0.261 nan 8.150 nan 0.000 0.489 104 L N -0.996 120.167 121.223 -0.100 0.000 2.731 104 L HA 0.248 4.590 4.340 0.003 0.000 0.240 104 L C 1.878 178.706 176.870 -0.069 0.000 1.120 104 L CA 1.455 56.232 54.840 -0.105 0.000 0.913 104 L CB -0.083 41.894 42.059 -0.136 0.000 1.213 104 L HN 0.637 nan 8.230 nan 0.000 0.515 105 E N -0.221 119.948 120.200 -0.052 0.000 2.077 105 E HA -0.235 4.117 4.350 0.003 0.000 0.193 105 E C 1.542 178.122 176.600 -0.032 0.000 0.989 105 E CA 1.250 57.629 56.400 -0.035 0.000 0.800 105 E CB 0.247 29.928 29.700 -0.032 0.000 0.746 105 E HN 0.412 nan 8.360 nan 0.000 0.452 106 N N 0.413 119.091 118.700 -0.037 0.000 2.069 106 N HA -0.175 4.567 4.740 0.003 0.000 0.191 106 N C 1.619 177.111 175.510 -0.031 0.000 1.031 106 N CA 1.611 54.641 53.050 -0.034 0.000 0.852 106 N CB -0.482 37.985 38.487 -0.034 0.000 1.018 106 N HN 0.281 nan 8.380 nan 0.000 0.423 107 A N 0.107 122.907 122.820 -0.034 0.000 1.897 107 A HA -0.081 4.240 4.320 0.003 0.000 0.215 107 A C 2.678 180.249 177.584 -0.022 0.000 1.181 107 A CA 1.140 53.159 52.037 -0.029 0.000 0.620 107 A CB -0.913 18.060 19.000 -0.045 0.000 0.821 107 A HN 0.444 nan 8.150 nan 0.000 0.443 108 C N -0.718 118.566 119.300 -0.025 0.000 2.440 108 C HA -0.065 4.397 4.460 0.003 0.000 0.278 108 C C 2.459 177.441 174.990 -0.015 0.000 1.295 108 C CA 1.166 60.176 59.018 -0.013 0.000 1.738 108 C CB -1.069 26.673 27.740 0.004 0.000 1.987 108 C HN 0.703 nan 8.230 nan 0.000 0.492 109 D N 0.711 121.102 120.400 -0.014 0.000 2.097 109 D HA -0.142 4.500 4.640 0.003 0.000 0.195 109 D C 2.129 178.437 176.300 0.013 0.000 0.989 109 D CA 1.427 55.419 54.000 -0.012 0.000 0.827 109 D CB -0.261 40.520 40.800 -0.032 0.000 0.966 109 D HN 0.392 nan 8.370 nan 0.000 0.456 110 E N -0.053 120.154 120.200 0.013 0.000 2.106 110 E HA -0.039 4.313 4.350 0.003 0.000 0.192 110 E C 1.814 178.452 176.600 0.064 0.000 0.984 110 E CA 1.282 57.720 56.400 0.064 0.000 0.806 110 E CB -0.462 29.258 29.700 0.033 0.000 0.750 110 E HN 0.264 nan 8.360 nan 0.000 0.458 111 A N -0.230 122.591 122.820 0.001 0.000 1.858 111 A HA -0.188 4.134 4.320 0.003 0.000 0.216 111 A C 2.455 179.956 177.584 -0.138 0.000 1.190 111 A CA 2.610 54.616 52.037 -0.052 0.000 0.617 111 A CB -1.338 17.633 19.000 -0.049 0.000 0.827 111 A HN 0.468 nan 8.150 nan 0.000 0.443 112 T N -3.337 111.122 114.554 -0.158 0.000 2.867 112 T HA -0.211 4.141 4.350 0.003 0.000 0.268 112 T C 1.835 176.438 174.700 -0.161 0.000 1.057 112 T CA 1.540 63.479 62.100 -0.269 0.000 1.136 112 T CB -0.544 68.207 68.868 -0.194 0.000 0.874 112 T HN 0.467 nan 8.240 nan 0.000 0.466 113 Y N 2.092 122.299 120.300 -0.154 0.000 2.242 113 Y HA 0.006 4.558 4.550 0.003 0.000 0.291 113 Y C 2.553 178.389 175.900 -0.106 0.000 1.137 113 Y CA 1.122 59.154 58.100 -0.114 0.000 1.181 113 Y CB -0.399 38.014 38.460 -0.079 0.000 0.989 113 Y HN 0.239 nan 8.280 nan 0.000 0.527 114 Q N -0.303 119.338 119.800 -0.265 0.000 2.172 114 Q HA -0.076 4.266 4.340 0.003 0.000 0.200 114 Q C 2.087 177.928 176.000 -0.264 0.000 0.964 114 Q CA 1.306 56.934 55.803 -0.292 0.000 0.855 114 Q CB -0.046 28.619 28.738 -0.121 0.000 0.918 114 Q HN 0.496 nan 8.270 nan 0.000 0.444 115 L N -0.940 120.131 121.223 -0.253 0.000 2.395 115 L HA 0.035 4.377 4.340 0.003 0.000 0.218 115 L C 1.149 177.863 176.870 -0.260 0.000 1.130 115 L CA 0.696 55.389 54.840 -0.245 0.000 0.826 115 L CB -0.033 41.809 42.059 -0.361 0.000 0.941 115 L HN 0.448 nan 8.230 nan 0.000 0.451 116 G N 0.076 108.699 108.800 -0.295 0.000 2.134 116 G HA2 -0.208 3.754 3.960 0.003 0.000 0.209 116 G HA3 -0.208 3.754 3.960 0.003 0.000 0.209 116 G C -0.100 174.669 174.900 -0.219 0.000 0.993 116 G CA -0.412 44.537 45.100 -0.251 0.000 0.669 116 G HN 0.165 nan 8.290 nan 0.000 0.519 117 L N 0.271 121.354 121.223 -0.234 0.000 2.330 117 L HA 0.686 5.028 4.340 0.003 0.000 0.271 117 L C -0.365 176.463 176.870 -0.070 0.000 1.013 117 L CA -1.053 53.664 54.840 -0.205 0.000 0.816 117 L CB 1.812 43.675 42.059 -0.326 0.000 1.287 117 L HN 0.156 nan 8.230 nan 0.000 0.435 118 D N 1.599 121.987 120.400 -0.020 0.000 2.392 118 D HA 0.211 4.853 4.640 0.003 0.000 0.228 118 D C 0.644 176.960 176.300 0.026 0.000 1.074 118 D CA -0.381 53.635 54.000 0.027 0.000 0.838 118 D CB 1.395 42.216 40.800 0.034 0.000 1.067 118 D HN 0.498 nan 8.370 nan 0.000 0.511 119 M N 2.838 122.453 119.600 0.025 0.000 2.213 119 M HA -0.115 4.367 4.480 0.003 0.000 0.263 119 M C 1.231 177.557 176.300 0.042 0.000 1.062 119 M CA 1.479 56.801 55.300 0.037 0.000 1.105 119 M CB 0.172 32.785 32.600 0.023 0.000 1.385 119 M HN 0.486 nan 8.290 nan 0.000 0.417 120 E N -0.206 120.010 120.200 0.026 0.000 2.110 120 E HA -0.228 4.124 4.350 0.003 0.000 0.193 120 E C 1.908 178.527 176.600 0.031 0.000 0.988 120 E CA 0.986 57.399 56.400 0.021 0.000 0.804 120 E CB -0.138 29.570 29.700 0.014 0.000 0.745 120 E HN 0.492 nan 8.360 nan 0.000 0.458 121 E N 0.903 121.127 120.200 0.041 0.000 2.152 121 E HA -0.107 4.245 4.350 0.003 0.000 0.192 121 E C 2.099 178.736 176.600 0.062 0.000 0.983 121 E CA 0.505 56.933 56.400 0.047 0.000 0.818 121 E CB 0.050 29.782 29.700 0.053 0.000 0.758 121 E HN 0.278 nan 8.360 nan 0.000 0.467 122 L N 0.354 121.633 121.223 0.093 0.000 2.217 122 L HA -0.087 4.255 4.340 0.003 0.000 0.211 122 L C 2.214 179.145 176.870 0.102 0.000 1.107 122 L CA 0.853 55.788 54.840 0.158 0.000 0.783 122 L CB -0.256 41.946 42.059 0.238 0.000 0.919 122 L HN 0.033 nan 8.230 nan 0.000 0.442 123 E N -0.188 120.045 120.200 0.055 0.000 2.152 123 E HA -0.166 4.186 4.350 0.003 0.000 0.192 123 E C 1.915 178.453 176.600 -0.104 0.000 0.983 123 E CA 0.464 56.858 56.400 -0.010 0.000 0.818 123 E CB 0.097 29.797 29.700 0.001 0.000 0.758 123 E HN 0.323 nan 8.360 nan 0.000 0.467 124 E N 0.619 120.784 120.200 -0.057 0.000 2.268 124 E HA -0.102 4.249 4.350 0.003 0.000 0.195 124 E C 1.837 178.378 176.600 -0.099 0.000 0.995 124 E CA 0.471 56.839 56.400 -0.054 0.000 0.836 124 E CB 0.100 29.802 29.700 0.004 0.000 0.763 124 E HN 0.338 nan 8.360 nan 0.000 0.491 125 I N 0.780 121.253 120.570 -0.161 0.000 2.830 125 I HA -0.087 4.085 4.170 0.003 0.000 0.263 125 I C 1.223 177.100 176.117 -0.400 0.000 1.230 125 I CA 0.367 61.546 61.300 -0.200 0.000 1.480 125 I CB -0.441 37.483 38.000 -0.127 0.000 1.095 125 I HN 0.061 nan 8.210 nan 0.000 0.455 126 E N 2.466 122.307 120.200 -0.598 0.000 2.338 126 E HA 0.026 4.378 4.350 0.003 0.000 0.272 126 E C -0.169 176.327 176.600 -0.173 0.000 1.029 126 E CA -0.383 55.675 56.400 -0.571 0.000 0.872 126 E CB 0.917 30.285 29.700 -0.554 0.000 1.015 126 E HN 0.056 nan 8.360 nan 0.000 0.417 127 E N 3.076 123.265 120.200 -0.019 0.000 2.354 127 E HA 0.090 4.442 4.350 0.003 0.000 0.269 127 E C -0.886 175.757 176.600 0.072 0.000 1.036 127 E CA -0.215 56.245 56.400 0.101 0.000 0.876 127 E CB 0.809 30.675 29.700 0.277 0.000 1.009 127 E HN 0.491 nan 8.360 nan 0.000 0.416 128 D N 0.707 121.114 120.400 0.012 0.000 2.443 128 D HA 0.167 4.809 4.640 0.003 0.000 0.239 128 D C -0.283 175.930 176.300 -0.144 0.000 1.136 128 D CA 0.204 54.158 54.000 -0.076 0.000 0.879 128 D CB 0.569 41.311 40.800 -0.096 0.000 1.195 128 D HN 0.402 nan 8.370 nan 0.000 0.443 129 A N 1.967 124.622 122.820 -0.276 0.000 2.451 129 A HA 0.455 4.777 4.320 0.003 0.000 0.266 129 A C 1.089 178.095 177.584 -0.964 0.000 1.119 129 A CA -0.246 51.330 52.037 -0.769 0.000 0.786 129 A CB 0.140 18.833 19.000 -0.512 0.000 1.061 129 A HN 0.587 nan 8.150 nan 0.000 0.503 130 G N 1.780 109.487 108.800 -1.822 0.000 3.197 130 G HA2 0.379 4.341 3.960 0.003 0.000 0.257 130 G HA3 0.379 4.341 3.960 0.003 0.000 0.257 130 G C 0.158 174.710 174.900 -0.581 0.000 0.835 130 G CA -0.045 44.441 45.100 -1.022 0.000 2.001 130 G HN 0.533 nan 8.290 nan 0.000 0.625 131 L N 0.400 121.413 121.223 -0.349 0.000 3.016 131 L HA 0.466 4.808 4.340 0.003 0.000 0.267 131 L C 1.092 178.001 176.870 0.065 0.000 1.182 131 L CA 0.130 54.977 54.840 0.010 0.000 0.997 131 L CB 0.317 42.356 42.059 -0.032 0.000 1.354 131 L HN 0.409 nan 8.230 nan 0.000 0.569 132 G N -1.439 107.259 108.800 -0.169 0.000 2.548 132 G HA2 0.322 4.284 3.960 0.003 0.000 0.301 132 G HA3 0.322 4.284 3.960 0.003 0.000 0.301 132 G C -0.315 173.968 174.900 -1.029 0.000 1.349 132 G CA 0.072 44.916 45.100 -0.426 0.000 0.792 132 G HN -0.120 nan 8.290 nan 0.000 0.481 133 N N -2.653 115.351 118.700 -1.160 0.000 2.496 133 N HA 0.327 5.069 4.740 0.003 0.000 0.262 133 N C 0.938 176.080 175.510 -0.612 0.000 0.981 133 N CA 1.376 53.859 53.050 -0.946 0.000 0.903 133 N CB 0.779 39.009 38.487 -0.429 0.000 1.737 133 N HN 0.926 nan 8.380 nan 0.000 0.715 134 G N -1.330 107.310 108.800 -0.266 0.000 3.253 134 G HA2 0.394 4.356 3.960 0.003 0.000 0.175 134 G HA3 0.394 4.356 3.960 0.003 0.000 0.175 134 G C 0.663 175.630 174.900 0.112 0.000 1.098 134 G CA 0.116 45.246 45.100 0.051 0.000 0.790 134 G HN 0.231 nan 8.290 nan 0.000 0.648 135 G N -0.125 108.717 108.800 0.069 0.000 2.422 135 G HA2 -0.097 3.865 3.960 0.003 0.000 0.218 135 G HA3 -0.097 3.865 3.960 0.003 0.000 0.218 135 G C 1.703 176.582 174.900 -0.035 0.000 1.146 135 G CA 0.765 45.887 45.100 0.036 0.000 0.769 135 G HN 0.327 nan 8.290 nan 0.000 0.547 136 L N 0.605 121.766 121.223 -0.103 0.000 2.127 136 L HA -0.059 4.283 4.340 0.003 0.000 0.211 136 L C 2.873 179.645 176.870 -0.164 0.000 1.089 136 L CA 1.592 56.294 54.840 -0.229 0.000 0.757 136 L CB -0.472 41.447 42.059 -0.233 0.000 0.899 136 L HN 0.371 nan 8.230 nan 0.000 0.434 137 G N -1.320 107.430 108.800 -0.083 0.000 2.411 137 G HA2 -0.193 3.769 3.960 0.003 0.000 0.213 137 G HA3 -0.193 3.769 3.960 0.003 0.000 0.213 137 G C 1.702 176.663 174.900 0.101 0.000 1.166 137 G CA -0.122 44.961 45.100 -0.027 0.000 0.802 137 G HN 0.104 nan 8.290 nan 0.000 0.533 138 R N -0.054 120.554 120.500 0.179 0.000 2.092 138 R HA 0.078 4.420 4.340 0.003 0.000 0.231 138 R C 2.490 178.822 176.300 0.052 0.000 1.119 138 R CA 0.697 56.894 56.100 0.161 0.000 0.970 138 R CB -0.923 29.476 30.300 0.164 0.000 0.864 138 R HN 0.402 nan 8.270 nan 0.000 0.440 139 L N 0.694 121.878 121.223 -0.066 0.000 1.970 139 L HA -0.155 4.187 4.340 0.003 0.000 0.212 139 L C 2.226 178.842 176.870 -0.423 0.000 1.071 139 L CA 2.474 57.141 54.840 -0.289 0.000 0.751 139 L CB -0.944 40.923 42.059 -0.319 0.000 0.889 139 L HN 0.177 nan 8.230 nan 0.000 0.432 140 A N -0.713 121.965 122.820 -0.236 0.000 1.940 140 A HA -0.162 4.160 4.320 0.003 0.000 0.219 140 A C 2.408 180.053 177.584 0.102 0.000 1.176 140 A CA 2.113 54.111 52.037 -0.064 0.000 0.631 140 A CB -1.223 17.750 19.000 -0.045 0.000 0.814 140 A HN 0.636 nan 8.150 nan 0.000 0.446 141 A N -1.304 121.603 122.820 0.145 0.000 1.897 141 A HA -0.098 4.224 4.320 0.003 0.000 0.215 141 A C 2.304 179.966 177.584 0.131 0.000 1.181 141 A CA 1.469 53.609 52.037 0.172 0.000 0.620 141 A CB -1.209 17.875 19.000 0.140 0.000 0.821 141 A HN 0.579 nan 8.150 nan 0.000 0.443 142 C N -1.314 118.077 119.300 0.153 0.000 2.413 142 C HA -0.115 4.347 4.460 0.003 0.000 0.277 142 C C 2.426 177.593 174.990 0.294 0.000 1.228 142 C CA 0.952 60.104 59.018 0.222 0.000 1.731 142 C CB -1.603 26.308 27.740 0.285 0.000 2.042 142 C HN 0.627 nan 8.230 nan 0.000 0.468 143 F N 1.062 121.006 119.950 -0.010 0.000 2.161 143 F HA -0.095 4.434 4.527 0.003 0.000 0.300 143 F C 2.255 177.996 175.800 -0.099 0.000 1.089 143 F CA 0.986 58.927 58.000 -0.099 0.000 1.282 143 F CB -1.406 37.410 39.000 -0.307 0.000 1.010 143 F HN 0.220 nan 8.300 nan 0.000 0.485 144 L N -0.488 120.816 121.223 0.135 0.000 2.083 144 L HA -0.230 4.112 4.340 0.003 0.000 0.209 144 L C 2.369 179.250 176.870 0.019 0.000 1.083 144 L CA 1.894 56.768 54.840 0.056 0.000 0.752 144 L CB -0.759 41.339 42.059 0.065 0.000 0.899 144 L HN 0.187 nan 8.230 nan 0.000 0.433 145 D N -0.230 120.188 120.400 0.031 0.000 2.117 145 D HA -0.146 4.496 4.640 0.003 0.000 0.198 145 D C 2.072 178.384 176.300 0.019 0.000 0.982 145 D CA 1.333 55.336 54.000 0.004 0.000 0.828 145 D CB 0.416 41.212 40.800 -0.006 0.000 0.967 145 D HN 0.197 nan 8.370 nan 0.000 0.464 146 S N 0.024 115.749 115.700 0.041 0.000 2.368 146 S HA -0.089 4.383 4.470 0.003 0.000 0.224 146 S C 2.140 176.740 174.600 0.001 0.000 1.029 146 S CA 0.766 58.976 58.200 0.017 0.000 0.988 146 S CB -0.102 63.098 63.200 -0.000 0.000 0.838 146 S HN 0.320 nan 8.310 nan 0.000 0.462 147 M N 1.139 120.735 119.600 -0.007 0.000 2.080 147 M HA -0.167 4.315 4.480 0.003 0.000 0.260 147 M C 2.520 178.818 176.300 -0.002 0.000 1.068 147 M CA 1.663 56.959 55.300 -0.006 0.000 1.109 147 M CB -0.629 31.951 32.600 -0.033 0.000 1.342 147 M HN 0.409 nan 8.290 nan 0.000 0.405 148 A N -0.356 122.459 122.820 -0.008 0.000 1.908 148 A HA -0.168 4.154 4.320 0.003 0.000 0.218 148 A C 2.162 179.757 177.584 0.019 0.000 1.181 148 A CA 2.347 54.385 52.037 0.002 0.000 0.627 148 A CB -1.177 17.808 19.000 -0.024 0.000 0.818 148 A HN 0.485 nan 8.150 nan 0.000 0.445 149 T N 0.118 114.687 114.554 0.025 0.000 2.904 149 T HA 0.046 4.398 4.350 0.003 0.000 0.267 149 T C 1.262 175.985 174.700 0.038 0.000 1.059 149 T CA 1.090 63.217 62.100 0.044 0.000 1.137 149 T CB -0.252 68.650 68.868 0.057 0.000 0.879 149 T HN 0.365 nan 8.240 nan 0.000 0.467 150 L N 0.603 121.844 121.223 0.030 0.000 2.685 150 L HA 0.334 4.676 4.340 0.003 0.000 0.233 150 L C 1.559 178.454 176.870 0.040 0.000 1.173 150 L CA -0.164 54.695 54.840 0.031 0.000 0.961 150 L CB -0.526 41.548 42.059 0.025 0.000 1.217 150 L HN 0.355 nan 8.230 nan 0.000 0.478 151 G N 1.208 110.037 108.800 0.048 0.000 2.249 151 G HA2 -0.285 3.677 3.960 0.003 0.000 0.273 151 G HA3 -0.285 3.677 3.960 0.003 0.000 0.273 151 G C 0.088 175.026 174.900 0.062 0.000 1.036 151 G CA 0.110 45.255 45.100 0.075 0.000 0.824 151 G HN 0.307 nan 8.290 nan 0.000 0.504 152 L N -0.339 120.895 121.223 0.018 0.000 2.375 152 L HA 0.642 4.984 4.340 0.003 0.000 0.271 152 L C 1.103 177.863 176.870 -0.184 0.000 1.107 152 L CA -0.400 54.406 54.840 -0.057 0.000 0.806 152 L CB 1.581 43.628 42.059 -0.020 0.000 1.146 152 L HN 0.256 nan 8.230 nan 0.000 0.447 153 A N 2.589 125.158 122.820 -0.418 0.000 2.922 153 A HA 0.641 4.963 4.320 0.003 0.000 0.298 153 A C 0.054 177.377 177.584 -0.435 0.000 1.588 153 A CA -0.210 51.361 52.037 -0.776 0.000 1.288 153 A CB -0.468 17.931 19.000 -1.001 0.000 1.130 153 A HN 0.689 nan 8.150 nan 0.000 0.557 154 A N 1.911 124.491 122.820 -0.400 0.000 2.365 154 A HA 0.798 5.120 4.320 0.003 0.000 0.318 154 A C -1.337 176.011 177.584 -0.394 0.000 1.091 154 A CA -0.441 51.409 52.037 -0.313 0.000 0.763 154 A CB 0.924 19.794 19.000 -0.217 0.000 1.248 154 A HN 0.616 nan 8.150 nan 0.000 0.442 155 Y N 0.455 120.693 120.300 -0.104 0.000 2.373 155 Y HA 0.548 5.100 4.550 0.003 0.000 0.336 155 Y C 0.807 176.818 175.900 0.185 0.000 0.979 155 Y CA -0.717 57.408 58.100 0.042 0.000 1.080 155 Y CB 2.229 40.819 38.460 0.217 0.000 1.190 155 Y HN 0.852 nan 8.280 nan 0.000 0.446 156 G N 2.229 111.145 108.800 0.192 0.000 2.353 156 G HA2 0.417 4.379 3.960 0.003 0.000 0.284 156 G HA3 0.417 4.379 3.960 0.003 0.000 0.284 156 G C -1.634 173.321 174.900 0.091 0.000 1.172 156 G CA -0.158 45.086 45.100 0.240 0.000 0.854 156 G HN 0.525 nan 8.290 nan 0.000 0.485 157 Y N 0.711 121.224 120.300 0.355 0.000 2.425 157 Y HA 0.644 5.196 4.550 0.003 0.000 0.344 157 Y C 0.744 176.922 175.900 0.463 0.000 0.969 157 Y CA 0.272 58.538 58.100 0.278 0.000 1.052 157 Y CB 2.805 41.466 38.460 0.334 0.000 1.215 157 Y HN 0.903 nan 8.280 nan 0.000 0.451 158 G N 2.119 111.229 108.800 0.516 0.000 2.664 158 G HA2 0.548 4.510 3.960 0.003 0.000 0.303 158 G HA3 0.548 4.510 3.960 0.003 0.000 0.303 158 G C -1.868 173.261 174.900 0.382 0.000 1.243 158 G CA -0.796 44.640 45.100 0.559 0.000 0.826 158 G HN 0.449 nan 8.290 nan 0.000 0.498 159 I N 0.536 121.222 120.570 0.193 0.000 2.530 159 I HA 0.454 4.626 4.170 0.003 0.000 0.297 159 I C 0.142 176.099 176.117 -0.266 0.000 1.011 159 I CA -0.796 60.511 61.300 0.011 0.000 1.107 159 I CB 2.227 40.126 38.000 -0.170 0.000 1.285 159 I HN 0.398 nan 8.210 nan 0.000 0.436 160 R N 5.421 125.855 120.500 -0.110 0.000 2.210 160 R HA 0.291 4.633 4.340 0.003 0.000 0.338 160 R C -1.588 174.644 176.300 -0.113 0.000 1.062 160 R CA -0.295 55.763 56.100 -0.070 0.000 0.902 160 R CB 0.326 30.586 30.300 -0.067 0.000 1.050 160 R HN 0.379 nan 8.270 nan 0.000 0.461 161 Y N 2.365 122.799 120.300 0.224 0.000 2.308 161 Y HA 0.075 4.627 4.550 0.003 0.000 0.329 161 Y C 1.301 177.287 175.900 0.142 0.000 1.111 161 Y CA -0.532 57.663 58.100 0.158 0.000 1.179 161 Y CB 1.537 40.082 38.460 0.141 0.000 1.201 161 Y HN 0.663 nan 8.280 nan 0.000 0.483 162 E N 1.533 121.744 120.200 0.019 0.000 2.208 162 E HA -0.039 4.313 4.350 0.003 0.000 0.193 162 E C -0.162 175.934 176.600 -0.839 0.000 0.988 162 E CA 1.043 57.132 56.400 -0.519 0.000 0.828 162 E CB 0.109 29.338 29.700 -0.784 0.000 0.763 162 E HN 0.654 nan 8.360 nan 0.000 0.478 163 F N -1.270 118.871 119.950 0.318 0.000 2.811 163 F HA 0.376 4.905 4.527 0.003 0.000 0.342 163 F C 1.099 177.048 175.800 0.249 0.000 1.203 163 F CA -0.025 58.155 58.000 0.300 0.000 1.173 163 F CB 0.666 39.766 39.000 0.166 0.000 1.094 163 F HN 0.062 nan 8.300 nan 0.000 0.510 164 G N 1.791 110.792 108.800 0.335 0.000 2.698 164 G HA2 -0.331 3.631 3.960 0.003 0.000 0.337 164 G HA3 -0.331 3.631 3.960 0.003 0.000 0.337 164 G C -0.152 174.685 174.900 -0.105 0.000 1.196 164 G CA 0.654 45.792 45.100 0.063 0.000 0.965 164 G HN 0.321 nan 8.290 nan 0.000 0.550 165 I N 0.676 121.193 120.570 -0.089 0.000 2.686 165 I HA 0.370 4.542 4.170 0.003 0.000 0.280 165 I C 0.566 176.601 176.117 -0.138 0.000 1.322 165 I CA -0.158 61.088 61.300 -0.091 0.000 1.107 165 I CB 0.398 38.249 38.000 -0.248 0.000 1.366 165 I HN 1.234 nan 8.210 nan 0.000 0.443 166 F N 5.672 125.646 119.950 0.040 0.000 1.644 166 F HA -0.269 4.259 4.527 0.003 0.000 0.144 166 F C -0.199 175.656 175.800 0.092 0.000 0.376 166 F CA 0.801 58.846 58.000 0.074 0.000 0.550 166 F CB -0.438 38.596 39.000 0.056 0.000 0.746 166 F HN 0.619 nan 8.300 nan 0.000 0.650 167 N N 1.558 120.473 118.700 0.359 0.000 2.430 167 N HA 0.190 4.932 4.740 0.003 0.000 0.292 167 N C -1.143 174.639 175.510 0.455 0.000 1.051 167 N CA -0.883 52.329 53.050 0.270 0.000 0.917 167 N CB 1.098 39.718 38.487 0.223 0.000 1.164 167 N HN 0.697 nan 8.380 nan 0.000 0.484 168 Q N 2.540 122.590 119.800 0.417 0.000 2.267 168 Q HA 0.191 4.533 4.340 0.003 0.000 0.255 168 Q C -1.105 175.048 176.000 0.254 0.000 0.923 168 Q CA -0.192 55.865 55.803 0.424 0.000 0.925 168 Q CB 0.842 29.854 28.738 0.456 0.000 1.195 168 Q HN 0.415 nan 8.270 nan 0.000 0.417 169 K N 4.331 124.849 120.400 0.197 0.000 2.316 169 K HA 0.414 4.736 4.320 0.003 0.000 0.251 169 K C -1.102 175.564 176.600 0.110 0.000 0.934 169 K CA -0.762 55.609 56.287 0.140 0.000 0.802 169 K CB 1.122 33.694 32.500 0.119 0.000 1.171 169 K HN 0.567 nan 8.250 nan 0.000 0.426 170 I N 4.285 124.906 120.570 0.086 0.000 2.312 170 I HA 0.240 4.412 4.170 0.003 0.000 0.290 170 I C -0.689 175.464 176.117 0.060 0.000 1.008 170 I CA -0.638 60.689 61.300 0.046 0.000 1.226 170 I CB 0.701 38.706 38.000 0.009 0.000 1.371 170 I HN 0.633 nan 8.210 nan 0.000 0.468 171 C N 3.952 123.307 119.300 0.092 0.000 2.340 171 C HA 0.585 5.047 4.460 0.003 0.000 0.323 171 C C 1.178 176.267 174.990 0.166 0.000 1.260 171 C CA -0.578 58.503 59.018 0.104 0.000 1.464 171 C CB 0.640 28.436 27.740 0.094 0.000 2.156 171 C HN 1.072 nan 8.230 nan 0.000 0.476 172 G N 2.262 111.136 108.800 0.123 0.000 2.258 172 G HA2 0.109 4.071 3.960 0.003 0.000 0.274 172 G HA3 0.109 4.071 3.960 0.003 0.000 0.274 172 G C 1.056 175.998 174.900 0.070 0.000 1.021 172 G CA 0.939 46.127 45.100 0.147 0.000 0.798 172 G HN 2.475 nan 8.290 nan 0.000 0.507 173 G N -3.046 105.725 108.800 -0.048 0.000 2.148 173 G HA2 -0.263 3.699 3.960 0.003 0.000 0.254 173 G HA3 -0.263 3.699 3.960 0.003 0.000 0.254 173 G C 0.210 174.852 174.900 -0.430 0.000 0.981 173 G CA 0.652 45.599 45.100 -0.254 0.000 0.670 173 G HN 1.222 nan 8.290 nan 0.000 0.528 174 W N 0.034 121.276 121.300 -0.097 0.000 2.689 174 W HA 0.664 5.326 4.660 0.004 0.000 0.340 174 W C 0.512 176.965 176.519 -0.110 0.000 1.060 174 W CA -1.083 56.199 57.345 -0.105 0.000 1.218 174 W CB 1.030 30.449 29.460 -0.068 0.000 1.410 174 W HN 0.226 nan 8.180 nan 0.000 0.528 175 Q N 2.886 122.757 119.800 0.118 0.000 2.361 175 Q HA 0.208 4.550 4.340 0.003 0.000 0.276 175 Q C -0.541 175.496 176.000 0.062 0.000 1.022 175 Q CA 0.480 56.321 55.803 0.064 0.000 0.898 175 Q CB 0.523 29.287 28.738 0.043 0.000 1.246 175 Q HN 0.332 nan 8.270 nan 0.000 0.410 176 M N 3.793 123.411 119.600 0.031 0.000 2.327 176 M HA 0.277 4.759 4.480 0.003 0.000 0.298 176 M C -1.276 174.989 176.300 -0.059 0.000 1.065 176 M CA -0.822 54.469 55.300 -0.015 0.000 0.916 176 M CB 1.977 34.593 32.600 0.026 0.000 1.630 176 M HN 0.631 nan 8.290 nan 0.000 0.442 177 E N 2.465 122.554 120.200 -0.186 0.000 2.156 177 E HA 0.514 4.866 4.350 0.003 0.000 0.279 177 E C -0.917 175.671 176.600 -0.020 0.000 0.965 177 E CA -0.435 55.828 56.400 -0.229 0.000 0.789 177 E CB 1.497 30.646 29.700 -0.918 0.000 1.098 177 E HN 0.512 nan 8.360 nan 0.000 0.397 178 E N 1.030 121.307 120.200 0.128 0.000 2.214 178 E HA 0.562 4.914 4.350 0.003 0.000 0.274 178 E C -0.526 176.174 176.600 0.168 0.000 0.977 178 E CA -1.155 55.317 56.400 0.120 0.000 0.827 178 E CB 1.918 31.697 29.700 0.132 0.000 1.130 178 E HN 0.664 nan 8.360 nan 0.000 0.394 179 A N 1.814 124.701 122.820 0.111 0.000 2.445 179 A HA 0.039 4.361 4.320 0.003 0.000 0.242 179 A C -0.111 177.610 177.584 0.228 0.000 1.075 179 A CA -0.121 51.995 52.037 0.132 0.000 0.777 179 A CB 0.241 19.218 19.000 -0.039 0.000 1.013 179 A HN 0.577 nan 8.150 nan 0.000 0.493 180 D N 1.350 121.950 120.400 0.334 0.000 2.499 180 D HA 0.271 4.913 4.640 0.003 0.000 0.225 180 D C -1.006 175.617 176.300 0.538 0.000 1.124 180 D CA -0.423 53.807 54.000 0.382 0.000 0.938 180 D CB 0.285 41.280 40.800 0.325 0.000 1.014 180 D HN 0.423 nan 8.370 nan 0.000 0.517 181 D N 3.647 124.338 120.400 0.485 0.000 2.500 181 D HA -0.007 4.635 4.640 0.003 0.000 0.219 181 D C 1.489 177.952 176.300 0.271 0.000 1.137 181 D CA -0.878 53.368 54.000 0.410 0.000 0.946 181 D CB -0.190 40.850 40.800 0.400 0.000 1.022 181 D HN 0.505 nan 8.370 nan 0.000 0.518 182 W N 1.810 123.202 121.300 0.154 0.000 2.421 182 W HA -0.068 4.594 4.660 0.004 0.000 0.270 182 W C 0.205 176.811 176.519 0.146 0.000 1.233 182 W CA -0.049 57.385 57.345 0.148 0.000 1.226 182 W CB -0.835 28.695 29.460 0.117 0.000 1.121 182 W HN 0.201 nan 8.180 nan 0.000 0.579 183 L N 0.840 121.753 121.223 -0.516 0.000 2.592 183 L HA 0.168 4.510 4.340 0.003 0.000 0.227 183 L C 2.760 179.500 176.870 -0.217 0.000 1.127 183 L CA -0.040 54.480 54.840 -0.533 0.000 0.884 183 L CB -0.664 40.882 42.059 -0.854 0.000 1.065 183 L HN -0.110 nan 8.230 nan 0.000 0.457 184 R N 0.410 120.849 120.500 -0.101 0.000 2.133 184 R HA -0.239 4.103 4.340 0.003 0.000 0.245 184 R C 1.305 177.374 176.300 -0.385 0.000 1.137 184 R CA 2.200 58.166 56.100 -0.223 0.000 0.947 184 R CB -0.192 29.979 30.300 -0.215 0.000 0.865 184 R HN 0.323 nan 8.270 nan 0.000 0.437 185 Y N -0.705 119.613 120.300 0.029 0.000 2.468 185 Y HA 0.292 4.844 4.550 0.003 0.000 0.268 185 Y C 0.965 176.822 175.900 -0.072 0.000 1.177 185 Y CA 0.348 58.428 58.100 -0.034 0.000 1.265 185 Y CB 0.883 39.353 38.460 0.016 0.000 1.103 185 Y HN 0.418 nan 8.280 nan 0.000 0.522 186 G N 1.276 110.128 108.800 0.087 0.000 2.631 186 G HA2 -0.210 3.752 3.960 0.003 0.000 0.504 186 G HA3 -0.210 3.752 3.960 0.003 0.000 0.504 186 G C -1.286 173.746 174.900 0.220 0.000 1.306 186 G CA -0.625 44.520 45.100 0.076 0.000 0.897 186 G HN 0.290 nan 8.290 nan 0.000 0.520 187 N N 0.577 119.374 118.700 0.163 0.000 2.549 187 N HA 0.550 5.291 4.740 0.003 0.000 0.281 187 N C -1.060 174.489 175.510 0.066 0.000 1.084 187 N CA -1.570 51.585 53.050 0.175 0.000 0.862 187 N CB 2.218 40.766 38.487 0.101 0.000 1.333 187 N HN 0.272 nan 8.380 nan 0.000 0.523 188 P HA 0.033 nan 4.420 nan 0.000 0.237 188 P C 0.416 177.360 177.300 -0.594 0.000 1.178 188 P CA 0.605 63.390 63.100 -0.525 0.000 0.766 188 P CB 0.026 31.081 31.700 -1.076 0.000 0.876 189 W N 1.665 122.969 121.300 0.006 0.000 2.863 189 W HA 0.090 4.752 4.660 0.004 0.000 0.258 189 W C 1.137 177.676 176.519 0.033 0.000 1.298 189 W CA -0.396 56.940 57.345 -0.015 0.000 1.451 189 W CB 0.098 29.550 29.460 -0.012 0.000 1.107 189 W HN 0.019 nan 8.180 nan 0.000 0.641 190 E N 1.182 121.524 120.200 0.236 0.000 2.214 190 E HA 0.335 4.687 4.350 0.003 0.000 0.274 190 E C -0.393 176.364 176.600 0.262 0.000 0.977 190 E CA -0.821 55.741 56.400 0.270 0.000 0.827 190 E CB 1.437 31.328 29.700 0.318 0.000 1.130 190 E HN -0.350 nan 8.360 nan 0.000 0.394 191 K N 1.938 122.502 120.400 0.273 0.000 2.425 191 K HA 0.355 4.677 4.320 0.003 0.000 0.259 191 K C -0.932 175.693 176.600 0.042 0.000 0.978 191 K CA -0.654 55.746 56.287 0.188 0.000 0.883 191 K CB 1.492 34.126 32.500 0.224 0.000 1.110 191 K HN 0.714 nan 8.250 nan 0.000 0.436 192 A N 4.277 127.041 122.820 -0.094 0.000 2.511 192 A HA 0.164 4.486 4.320 0.003 0.000 0.242 192 A C 0.115 177.544 177.584 -0.259 0.000 1.069 192 A CA 0.132 51.864 52.037 -0.509 0.000 0.763 192 A CB 0.211 18.965 19.000 -0.409 0.000 1.001 192 A HN 0.528 nan 8.150 nan 0.000 0.498 193 R N 3.079 123.426 120.500 -0.256 0.000 2.860 193 R HA 0.231 4.573 4.340 0.003 0.000 0.282 193 R C -2.446 173.806 176.300 -0.081 0.000 1.408 193 R CA -2.051 54.031 56.100 -0.030 0.000 1.636 193 R CB 0.179 30.644 30.300 0.276 0.000 1.187 193 R HN 0.459 nan 8.270 nan 0.000 0.611 194 P HA -0.201 nan 4.420 nan 0.000 0.216 194 P C 0.553 177.755 177.300 -0.164 0.000 1.154 194 P CA 1.336 64.366 63.100 -0.116 0.000 0.865 194 P CB 0.433 32.069 31.700 -0.106 0.000 0.789 195 E N -1.491 118.493 120.200 -0.360 0.000 2.273 195 E HA -0.172 4.180 4.350 0.003 0.000 0.198 195 E C 0.829 177.101 176.600 -0.546 0.000 1.002 195 E CA 1.109 57.160 56.400 -0.581 0.000 0.828 195 E CB -0.959 28.082 29.700 -1.099 0.000 0.747 195 E HN 0.388 nan 8.360 nan 0.000 0.491 196 F N 0.392 120.356 119.950 0.023 0.000 2.684 196 F HA 0.226 4.755 4.527 0.003 0.000 0.298 196 F C 0.307 176.182 175.800 0.124 0.000 1.120 196 F CA -0.517 57.523 58.000 0.066 0.000 1.332 196 F CB -0.329 38.708 39.000 0.061 0.000 0.986 196 F HN -0.312 nan 8.300 nan 0.000 0.524 197 T N 3.377 118.046 114.554 0.192 0.000 2.933 197 T HA 0.252 4.603 4.350 0.003 0.000 0.306 197 T C 0.166 174.946 174.700 0.133 0.000 1.045 197 T CA 0.509 62.715 62.100 0.178 0.000 1.143 197 T CB 0.427 69.357 68.868 0.103 0.000 1.003 197 T HN 0.040 nan 8.240 nan 0.000 0.540 198 L N 5.271 126.537 121.223 0.072 0.000 2.341 198 L HA 0.603 4.945 4.340 0.003 0.000 0.267 198 L C -2.298 174.507 176.870 -0.108 0.000 1.009 198 L CA -2.498 52.315 54.840 -0.044 0.000 0.819 198 L CB 2.499 44.454 42.059 -0.173 0.000 1.323 198 L HN 0.406 nan 8.230 nan 0.000 0.425 199 P HA 0.329 nan 4.420 nan 0.000 0.301 199 P C -1.210 175.849 177.300 -0.400 0.000 1.337 199 P CA -0.522 62.440 63.100 -0.230 0.000 0.889 199 P CB 2.491 34.064 31.700 -0.212 0.000 1.050 200 V N 4.463 124.143 119.914 -0.391 0.000 2.435 200 V HA 0.303 4.425 4.120 0.003 0.000 0.290 200 V C 0.423 176.170 176.094 -0.578 0.000 1.030 200 V CA -0.563 61.474 62.300 -0.439 0.000 0.881 200 V CB 1.011 32.683 31.823 -0.252 0.000 0.983 200 V HN 0.601 nan 8.190 nan 0.000 0.445 201 H N 3.871 122.767 119.070 -0.290 0.000 2.479 201 H HA 0.586 5.144 4.556 0.003 0.000 0.335 201 H C -1.139 173.901 175.328 -0.480 0.000 1.142 201 H CA -0.185 55.610 56.048 -0.421 0.000 1.234 201 H CB 1.712 30.961 29.762 -0.856 0.000 1.503 201 H HN 0.442 nan 8.280 nan 0.000 0.510 202 F N 0.206 120.253 119.950 0.161 0.000 2.603 202 F HA 0.245 4.774 4.527 0.003 0.000 0.317 202 F C -0.209 175.751 175.800 0.267 0.000 1.066 202 F CA -0.575 57.521 58.000 0.160 0.000 0.941 202 F CB 0.808 39.811 39.000 0.005 0.000 1.291 202 F HN 0.535 nan 8.300 nan 0.000 0.472 203 Y N 0.017 120.632 120.300 0.525 0.000 2.916 203 Y HA 0.090 4.642 4.550 0.003 0.000 0.465 203 Y C 1.111 177.241 175.900 0.384 0.000 1.210 203 Y CA 0.596 58.910 58.100 0.357 0.000 2.458 203 Y CB -1.743 36.858 38.460 0.234 0.000 1.246 203 Y HN 1.309 nan 8.280 nan 0.000 0.635 204 G N 0.262 109.317 108.800 0.426 0.000 2.627 204 G HA2 0.290 4.252 3.960 0.003 0.000 0.214 204 G HA3 0.290 4.252 3.960 0.003 0.000 0.214 204 G C -0.869 174.229 174.900 0.330 0.000 1.331 204 G CA 0.322 45.603 45.100 0.303 0.000 0.891 204 G HN 1.376 nan 8.290 nan 0.000 0.539 205 R N -2.520 118.160 120.500 0.300 0.000 2.747 205 R HA 0.731 5.073 4.340 0.003 0.000 0.272 205 R C -1.547 174.868 176.300 0.191 0.000 1.032 205 R CA -0.957 55.266 56.100 0.205 0.000 0.896 205 R CB 1.307 31.686 30.300 0.130 0.000 1.253 205 R HN 0.977 nan 8.270 nan 0.000 0.461 206 V N 0.661 120.615 119.914 0.067 0.000 2.459 206 V HA 0.326 4.447 4.120 0.003 0.000 0.295 206 V C -0.395 175.645 176.094 -0.089 0.000 1.029 206 V CA -0.624 61.642 62.300 -0.056 0.000 0.874 206 V CB 1.473 33.157 31.823 -0.232 0.000 0.985 206 V HN 0.757 nan 8.190 nan 0.000 0.438 207 E N 3.410 123.554 120.200 -0.093 0.000 2.028 207 E HA 0.277 4.628 4.350 0.003 0.000 0.266 207 E C -0.618 175.935 176.600 -0.078 0.000 0.962 207 E CA -0.503 55.874 56.400 -0.038 0.000 0.784 207 E CB 0.296 29.994 29.700 -0.003 0.000 1.114 207 E HN 0.677 nan 8.360 nan 0.000 0.414 208 H N 3.537 122.619 119.070 0.020 0.000 2.969 208 H HA 0.069 4.627 4.556 0.003 0.000 0.269 208 H C 0.741 176.075 175.328 0.010 0.000 1.223 208 H CA 0.080 56.135 56.048 0.011 0.000 1.400 208 H CB 0.385 30.149 29.762 0.004 0.000 1.500 208 H HN 0.570 nan 8.280 nan 0.000 0.486 209 T N -0.705 113.907 114.554 0.096 0.000 2.960 209 T HA 0.102 4.454 4.350 0.003 0.000 0.279 209 T C 1.887 176.622 174.700 0.058 0.000 1.171 209 T CA 0.111 62.248 62.100 0.062 0.000 0.952 209 T CB 0.112 69.001 68.868 0.034 0.000 2.127 209 T HN 0.410 nan 8.240 nan 0.000 0.573 210 S N 0.635 116.359 115.700 0.039 0.000 2.349 210 S HA -0.187 4.284 4.470 0.003 0.000 0.216 210 S C 2.195 176.816 174.600 0.035 0.000 1.033 210 S CA 1.404 59.623 58.200 0.032 0.000 1.021 210 S CB -1.214 62.000 63.200 0.025 0.000 0.968 210 S HN 0.679 nan 8.310 nan 0.000 0.426 211 Q N 2.228 122.048 119.800 0.033 0.000 2.291 211 Q HA 0.314 4.655 4.340 0.003 0.000 0.205 211 Q C 0.884 176.912 176.000 0.048 0.000 0.970 211 Q CA 1.082 56.906 55.803 0.035 0.000 0.876 211 Q CB -0.384 28.371 28.738 0.029 0.000 0.935 211 Q HN 0.848 nan 8.270 nan 0.000 0.455 212 G N -1.681 107.153 108.800 0.057 0.000 2.334 212 G HA2 0.305 4.267 3.960 0.003 0.000 0.249 212 G HA3 0.305 4.267 3.960 0.003 0.000 0.249 212 G C -1.349 173.582 174.900 0.051 0.000 1.327 212 G CA -0.475 44.680 45.100 0.092 0.000 0.979 212 G HN 0.421 nan 8.290 nan 0.000 0.471 213 A N -0.028 122.797 122.820 0.007 0.000 2.483 213 A HA 0.588 4.910 4.320 0.003 0.000 0.238 213 A C 0.307 177.834 177.584 -0.096 0.000 1.070 213 A CA 0.677 52.599 52.037 -0.191 0.000 0.770 213 A CB 0.247 19.064 19.000 -0.305 0.000 1.008 213 A HN 0.605 nan 8.150 nan 0.000 0.497 214 K N 0.758 121.099 120.400 -0.098 0.000 2.427 214 K HA 0.199 4.521 4.320 0.003 0.000 0.252 214 K C -1.819 174.813 176.600 0.055 0.000 0.931 214 K CA -0.376 55.903 56.287 -0.014 0.000 0.793 214 K CB 2.044 34.538 32.500 -0.011 0.000 1.211 214 K HN 0.770 nan 8.250 nan 0.000 0.426 215 W N 5.460 126.667 121.300 -0.154 0.000 2.283 215 W HA 0.333 4.995 4.660 0.003 0.000 0.317 215 W C -0.702 175.735 176.519 -0.137 0.000 1.042 215 W CA -0.847 56.406 57.345 -0.152 0.000 1.348 215 W CB 0.044 29.400 29.460 -0.173 0.000 1.216 215 W HN 0.243 nan 8.180 nan 0.000 0.404 216 V N 2.789 122.719 119.914 0.027 0.000 3.019 216 V HA 0.591 4.713 4.120 0.003 0.000 0.317 216 V C -0.099 175.948 176.094 -0.078 0.000 1.094 216 V CA -1.023 61.226 62.300 -0.084 0.000 1.000 216 V CB 1.979 33.789 31.823 -0.023 0.000 1.060 216 V HN 0.477 nan 8.190 nan 0.000 0.443 217 D N 0.168 120.520 120.400 -0.080 0.000 2.723 217 D HA -0.147 4.495 4.640 0.003 0.000 0.236 217 D C 0.567 176.847 176.300 -0.033 0.000 1.138 217 D CA 1.446 55.425 54.000 -0.035 0.000 0.676 217 D CB -1.770 39.041 40.800 0.018 0.000 1.069 217 D HN 1.227 nan 8.370 nan 0.000 0.430 218 T N -2.946 111.526 114.554 -0.137 0.000 2.882 218 T HA 0.363 4.715 4.350 0.003 0.000 0.287 218 T C 0.435 175.186 174.700 0.084 0.000 1.014 218 T CA -0.769 61.264 62.100 -0.111 0.000 1.049 218 T CB 2.473 71.057 68.868 -0.474 0.000 1.001 218 T HN 0.236 nan 8.240 nan 0.000 0.525 219 Q N 0.481 120.425 119.800 0.240 0.000 2.306 219 Q HA 0.542 4.883 4.340 0.003 0.000 0.241 219 Q C -1.402 174.733 176.000 0.226 0.000 0.948 219 Q CA -0.774 55.186 55.803 0.261 0.000 0.886 219 Q CB 0.970 29.959 28.738 0.418 0.000 1.227 219 Q HN 0.606 nan 8.270 nan 0.000 0.457 220 V N 3.968 123.975 119.914 0.154 0.000 2.540 220 V HA 0.482 4.604 4.120 0.003 0.000 0.302 220 V C -0.786 175.386 176.094 0.131 0.000 1.035 220 V CA -0.638 61.691 62.300 0.047 0.000 0.873 220 V CB 2.010 33.822 31.823 -0.018 0.000 0.992 220 V HN 0.676 nan 8.190 nan 0.000 0.428 221 V N 5.849 125.848 119.914 0.143 0.000 2.680 221 V HA 0.537 4.659 4.120 0.003 0.000 0.309 221 V C -0.247 175.945 176.094 0.165 0.000 1.052 221 V CA -0.721 61.708 62.300 0.215 0.000 0.908 221 V CB 2.002 34.039 31.823 0.356 0.000 1.001 221 V HN 0.613 nan 8.190 nan 0.000 0.431 222 L N 3.031 124.365 121.223 0.185 0.000 2.343 222 L HA 0.810 5.152 4.340 0.003 0.000 0.275 222 L C 0.264 177.307 176.870 0.288 0.000 1.056 222 L CA -0.505 54.430 54.840 0.159 0.000 0.804 222 L CB 1.580 43.721 42.059 0.136 0.000 1.203 222 L HN 0.766 nan 8.230 nan 0.000 0.440 223 A N 4.561 127.491 122.820 0.183 0.000 2.360 223 A HA 0.536 4.858 4.320 0.003 0.000 0.309 223 A C -0.578 177.220 177.584 0.356 0.000 1.311 223 A CA -0.433 51.719 52.037 0.191 0.000 0.805 223 A CB 0.942 19.631 19.000 -0.518 0.000 1.144 223 A HN 0.773 nan 8.150 nan 0.000 0.486 224 M N 5.911 125.787 119.600 0.459 0.000 2.113 224 M HA 0.406 4.888 4.480 0.003 0.000 0.352 224 M C -2.503 174.050 176.300 0.423 0.000 1.170 224 M CA -2.043 53.486 55.300 0.383 0.000 1.053 224 M CB 1.824 34.577 32.600 0.255 0.000 1.601 224 M HN 0.391 nan 8.290 nan 0.000 0.459 225 P HA 0.233 nan 4.420 nan 0.000 0.286 225 P C -1.941 175.253 177.300 -0.177 0.000 1.261 225 P CA -0.143 62.887 63.100 -0.117 0.000 0.821 225 P CB 0.759 32.150 31.700 -0.514 0.000 1.013 226 Y N 0.458 120.699 120.300 -0.099 0.000 2.328 226 Y HA 0.306 4.858 4.550 0.003 0.000 0.336 226 Y C 0.310 176.183 175.900 -0.046 0.000 0.960 226 Y CA -0.241 57.849 58.100 -0.016 0.000 1.134 226 Y CB 1.288 39.761 38.460 0.022 0.000 1.166 226 Y HN 0.210 nan 8.280 nan 0.000 0.464 227 D N 2.149 122.639 120.400 0.150 0.000 2.193 227 D HA 0.375 5.017 4.640 0.003 0.000 0.244 227 D C -0.582 175.873 176.300 0.257 0.000 1.064 227 D CA -0.230 53.901 54.000 0.218 0.000 0.845 227 D CB 1.775 42.817 40.800 0.403 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.464 228 T N 2.653 117.260 114.554 0.087 0.000 2.824 228 T HA 0.481 4.833 4.350 0.003 0.000 0.282 228 T C -2.581 171.899 174.700 -0.367 0.000 0.993 228 T CA -1.534 60.528 62.100 -0.064 0.000 0.967 228 T CB 1.997 70.849 68.868 -0.027 0.000 0.960 228 T HN 0.033 nan 8.240 nan 0.000 0.441 229 P HA 0.318 nan 4.420 nan 0.000 0.276 229 P C -0.898 176.081 177.300 -0.536 0.000 1.230 229 P CA -0.574 61.887 63.100 -1.065 0.000 0.776 229 P CB 0.630 31.542 31.700 -1.314 0.000 0.888 230 V N 2.123 121.782 119.914 -0.425 0.000 2.380 230 V HA 0.604 4.726 4.120 0.003 0.000 0.286 230 V C -2.742 173.225 176.094 -0.213 0.000 1.015 230 V CA -2.763 59.375 62.300 -0.270 0.000 0.834 230 V CB 1.835 33.544 31.823 -0.190 0.000 1.009 230 V HN 0.382 nan 8.190 nan 0.000 0.428 231 P HA 0.377 nan 4.420 nan 0.000 0.280 231 P C 0.332 177.583 177.300 -0.082 0.000 1.244 231 P CA 0.457 63.476 63.100 -0.136 0.000 0.784 231 P CB 1.810 33.425 31.700 -0.141 0.000 0.913 232 G N 2.243 111.012 108.800 -0.052 0.000 2.504 232 G HA2 0.174 4.136 3.960 0.003 0.000 0.288 232 G HA3 0.174 4.136 3.960 0.003 0.000 0.288 232 G C -1.114 173.792 174.900 0.010 0.000 1.182 232 G CA -0.510 44.586 45.100 -0.006 0.000 0.894 232 G HN 0.451 nan 8.290 nan 0.000 0.521 233 Y N 0.732 120.990 120.300 -0.070 0.000 2.784 233 Y HA 0.145 4.697 4.550 0.004 0.000 0.355 233 Y C 1.437 177.297 175.900 -0.066 0.000 1.198 233 Y CA 0.090 58.144 58.100 -0.077 0.000 1.588 233 Y CB -0.095 38.315 38.460 -0.082 0.000 1.220 233 Y HN 0.759 nan 8.280 nan 0.000 0.517 234 R N 2.090 122.299 120.500 -0.485 0.000 3.863 234 R HA -0.322 4.020 4.340 0.003 0.000 0.313 234 R C 0.373 176.544 176.300 -0.215 0.000 1.202 234 R CA 1.526 57.363 56.100 -0.438 0.000 0.852 234 R CB -1.917 27.940 30.300 -0.738 0.000 1.292 234 R HN 0.928 nan 8.270 nan 0.000 0.519 235 N N -1.285 117.338 118.700 -0.127 0.000 2.187 235 N HA 0.057 4.798 4.740 0.003 0.000 0.212 235 N C -0.185 175.285 175.510 -0.066 0.000 1.152 235 N CA -0.222 52.784 53.050 -0.074 0.000 0.872 235 N CB 0.472 38.940 38.487 -0.033 0.000 1.025 235 N HN 0.063 nan 8.380 nan 0.000 0.514 236 N N 0.317 118.971 118.700 -0.077 0.000 2.741 236 N HA -0.153 4.588 4.740 0.003 0.000 0.251 236 N C -0.427 175.054 175.510 -0.049 0.000 1.112 236 N CA 1.057 54.071 53.050 -0.061 0.000 0.750 236 N CB -1.578 36.876 38.487 -0.057 0.000 1.119 236 N HN 0.514 nan 8.380 nan 0.000 0.561 237 V N -1.729 118.163 119.914 -0.037 0.000 2.481 237 V HA 0.709 4.831 4.120 0.003 0.000 0.286 237 V C 0.204 176.281 176.094 -0.029 0.000 1.042 237 V CA -0.525 61.765 62.300 -0.018 0.000 0.928 237 V CB 2.179 34.028 31.823 0.044 0.000 0.986 237 V HN -0.086 nan 8.190 nan 0.000 0.462 238 V N 6.721 126.618 119.914 -0.028 0.000 2.398 238 V HA 0.478 4.600 4.120 0.003 0.000 0.282 238 V C 0.016 176.089 176.094 -0.036 0.000 1.014 238 V CA -0.647 61.598 62.300 -0.091 0.000 0.838 238 V CB 0.929 32.683 31.823 -0.116 0.000 1.018 238 V HN 1.013 nan 8.190 nan 0.000 0.432 239 N N 2.079 120.734 118.700 -0.075 0.000 2.381 239 N HA 0.530 5.272 4.740 0.003 0.000 0.289 239 N C 0.069 175.523 175.510 -0.093 0.000 1.288 239 N CA -0.143 52.873 53.050 -0.056 0.000 0.960 239 N CB 0.740 39.160 38.487 -0.112 0.000 1.116 239 N HN 0.588 nan 8.380 nan 0.000 0.557 240 T N 0.534 115.025 114.554 -0.106 0.000 2.912 240 T HA 0.397 4.749 4.350 0.003 0.000 0.299 240 T C -0.520 174.117 174.700 -0.105 0.000 1.052 240 T CA -0.519 61.591 62.100 0.017 0.000 0.996 240 T CB 1.541 70.593 68.868 0.306 0.000 1.070 240 T HN 0.256 nan 8.240 nan 0.000 0.465 241 M N 3.209 122.716 119.600 -0.156 0.000 2.072 241 M HA 0.541 5.023 4.480 0.003 0.000 0.331 241 M C -0.720 175.409 176.300 -0.285 0.000 1.004 241 M CA -0.798 54.328 55.300 -0.291 0.000 0.952 241 M CB 0.667 33.067 32.600 -0.334 0.000 1.511 241 M HN 0.477 nan 8.290 nan 0.000 0.422 242 R N 4.550 124.766 120.500 -0.474 0.000 2.310 242 R HA 0.553 4.895 4.340 0.003 0.000 0.324 242 R C -2.095 173.856 176.300 -0.583 0.000 0.955 242 R CA -0.413 55.346 56.100 -0.569 0.000 0.830 242 R CB 0.835 30.600 30.300 -0.891 0.000 1.154 242 R HN 0.600 nan 8.270 nan 0.000 0.458 243 L N 5.689 126.691 121.223 -0.369 0.000 2.305 243 L HA 0.485 4.827 4.340 0.003 0.000 0.284 243 L C -0.978 175.836 176.870 -0.094 0.000 1.013 243 L CA -0.544 54.187 54.840 -0.182 0.000 0.819 243 L CB 1.003 43.036 42.059 -0.042 0.000 1.227 243 L HN 0.645 nan 8.230 nan 0.000 0.417 244 W N 2.591 124.002 121.300 0.186 0.000 2.272 244 W HA 0.517 5.179 4.660 0.003 0.000 0.318 244 W C 0.629 177.354 176.519 0.344 0.000 1.255 244 W CA -0.249 57.229 57.345 0.222 0.000 1.200 244 W CB 1.216 30.688 29.460 0.020 0.000 1.170 244 W HN 0.411 nan 8.180 nan 0.000 0.549 245 S N 1.954 118.055 115.700 0.667 0.000 2.478 245 S HA 0.705 5.177 4.470 0.003 0.000 0.312 245 S C -0.343 174.596 174.600 0.565 0.000 1.094 245 S CA -0.730 57.774 58.200 0.507 0.000 1.081 245 S CB 0.543 64.040 63.200 0.494 0.000 1.007 245 S HN 0.503 nan 8.310 nan 0.000 0.475 246 A N 5.155 128.192 122.820 0.362 0.000 2.409 246 A HA 0.597 4.919 4.320 0.003 0.000 0.267 246 A C -0.164 177.521 177.584 0.168 0.000 1.127 246 A CA -0.224 51.916 52.037 0.172 0.000 0.795 246 A CB 0.274 19.108 19.000 -0.276 0.000 1.061 246 A HN 0.626 nan 8.150 nan 0.000 0.502 247 K N 1.287 121.804 120.400 0.195 0.000 2.324 247 K HA 0.626 4.948 4.320 0.003 0.000 0.253 247 K C -0.393 176.288 176.600 0.136 0.000 0.932 247 K CA -0.410 55.968 56.287 0.151 0.000 0.799 247 K CB 2.175 34.769 32.500 0.158 0.000 1.154 247 K HN 0.754 nan 8.250 nan 0.000 0.425 248 A N 3.684 126.572 122.820 0.114 0.000 2.328 248 A HA 0.465 4.787 4.320 0.003 0.000 0.284 248 A C -2.233 175.491 177.584 0.234 0.000 1.160 248 A CA -1.426 50.706 52.037 0.158 0.000 0.818 248 A CB -0.121 18.918 19.000 0.065 0.000 1.087 248 A HN 0.311 nan 8.150 nan 0.000 0.504 249 P HA 0.006 nan 4.420 nan 0.000 0.264 249 P C -0.425 177.029 177.300 0.257 0.000 1.236 249 P CA 0.002 63.209 63.100 0.178 0.000 0.811 249 P CB 0.164 31.919 31.700 0.092 0.000 0.840 250 N N 3.744 122.585 118.700 0.235 0.000 2.442 250 N HA 0.029 4.771 4.740 0.003 0.000 0.265 250 N C -0.538 174.948 175.510 -0.040 0.000 1.138 250 N CA 0.616 53.826 53.050 0.267 0.000 0.956 250 N CB 0.282 38.915 38.487 0.244 0.000 1.067 250 N HN 0.339 nan 8.380 nan 0.000 0.474 251 D N 4.324 124.499 120.400 -0.374 0.000 3.937 251 D HA 0.055 4.696 4.640 0.003 0.000 0.250 251 D C -1.330 174.513 176.300 -0.762 0.000 1.434 251 D CA -0.246 53.508 54.000 -0.411 0.000 0.834 251 D CB -0.341 40.284 40.800 -0.292 0.000 1.395 251 D HN 0.349 nan 8.370 nan 0.000 0.778 252 F N 2.257 122.173 119.950 -0.058 0.000 2.309 252 F HA 0.291 4.820 4.527 0.003 0.000 0.366 252 F C 1.245 176.994 175.800 -0.084 0.000 1.104 252 F CA -0.288 57.666 58.000 -0.077 0.000 1.179 252 F CB 0.301 39.264 39.000 -0.060 0.000 1.437 252 F HN 0.188 nan 8.300 nan 0.000 0.528 253 N N 0.582 119.190 118.700 -0.154 0.000 2.588 253 N HA -0.007 4.735 4.740 0.003 0.000 0.329 253 N C 0.064 175.405 175.510 -0.281 0.000 0.651 253 N CA -0.233 52.728 53.050 -0.147 0.000 1.473 253 N CB 0.265 38.705 38.487 -0.079 0.000 1.783 253 N HN 0.190 nan 8.380 nan 0.000 1.721 254 L N -1.008 120.043 121.223 -0.288 0.000 2.854 254 L HA 0.467 4.809 4.340 0.003 0.000 0.249 254 L C -0.129 176.562 176.870 -0.298 0.000 1.091 254 L CA -0.275 54.312 54.840 -0.421 0.000 0.935 254 L CB 0.260 42.257 42.059 -0.104 0.000 1.367 254 L HN 0.044 nan 8.230 nan 0.000 0.524 255 K N 1.892 122.187 120.400 -0.174 0.000 2.349 255 K HA 0.125 4.447 4.320 0.003 0.000 0.289 255 K C -0.515 176.030 176.600 -0.093 0.000 1.064 255 K CA 0.481 56.719 56.287 -0.082 0.000 0.947 255 K CB 1.083 33.535 32.500 -0.082 0.000 1.007 255 K HN 0.092 nan 8.250 nan 0.000 0.478 256 D N 1.883 122.288 120.400 0.008 0.000 2.578 256 D HA -0.192 4.449 4.640 0.003 0.000 0.179 256 D C -0.417 175.960 176.300 0.129 0.000 0.893 256 D CA 0.296 54.323 54.000 0.045 0.000 0.986 256 D CB -1.231 39.564 40.800 -0.009 0.000 1.035 256 D HN 0.638 nan 8.370 nan 0.000 0.473 257 F N -0.323 119.606 119.950 -0.034 0.000 3.056 257 F HA -0.337 4.192 4.527 0.003 0.000 0.266 257 F C 1.227 177.022 175.800 -0.008 0.000 0.957 257 F CA 1.280 59.268 58.000 -0.020 0.000 0.894 257 F CB -1.307 37.686 39.000 -0.012 0.000 0.832 257 F HN 0.348 nan 8.300 nan 0.000 0.745 258 N N -0.048 118.666 118.700 0.023 0.000 2.080 258 N HA -0.061 4.681 4.740 0.003 0.000 0.189 258 N C 1.068 176.574 175.510 -0.006 0.000 1.036 258 N CA 1.700 54.756 53.050 0.010 0.000 0.846 258 N CB -0.882 37.585 38.487 -0.034 0.000 1.015 258 N HN 0.373 nan 8.380 nan 0.000 0.423 259 V N -5.075 114.774 119.914 -0.109 0.000 3.602 259 V HA 0.834 4.956 4.120 0.003 0.000 0.285 259 V C 1.156 177.101 176.094 -0.249 0.000 1.187 259 V CA -0.453 61.768 62.300 -0.132 0.000 0.940 259 V CB 0.242 31.969 31.823 -0.161 0.000 1.250 259 V HN 0.541 nan 8.190 nan 0.000 0.455 260 G N -1.597 107.059 108.800 -0.239 0.000 2.207 260 G HA2 0.339 4.301 3.960 0.003 0.000 0.216 260 G HA3 0.339 4.301 3.960 0.003 0.000 0.216 260 G C 0.617 175.529 174.900 0.020 0.000 1.053 260 G CA 0.356 45.315 45.100 -0.236 0.000 0.764 260 G HN 2.181 nan 8.290 nan 0.000 0.495 261 G N -1.690 107.124 108.800 0.025 0.000 4.062 261 G HA2 0.401 4.362 3.960 0.003 0.000 0.171 261 G HA3 0.401 4.362 3.960 0.003 0.000 0.171 261 G C -0.288 174.704 174.900 0.153 0.000 0.858 261 G CA 0.650 45.812 45.100 0.102 0.000 0.924 261 G HN 1.331 nan 8.290 nan 0.000 0.359 262 Y N 1.681 121.982 120.300 0.002 0.000 2.479 262 Y HA 0.663 5.215 4.550 0.003 0.000 0.338 262 Y C -0.882 175.020 175.900 0.004 0.000 1.055 262 Y CA -1.995 56.108 58.100 0.005 0.000 1.023 262 Y CB 1.485 39.951 38.460 0.010 0.000 1.287 262 Y HN 0.412 nan 8.280 nan 0.000 0.447 263 I N 3.751 123.682 120.570 -1.067 0.000 2.441 263 I HA 0.559 4.731 4.170 0.003 0.000 0.295 263 I C -0.310 175.452 176.117 -0.592 0.000 0.994 263 I CA -0.466 60.495 61.300 -0.564 0.000 1.144 263 I CB 2.121 39.958 38.000 -0.271 0.000 1.314 263 I HN 0.845 nan 8.210 nan 0.000 0.445 264 Q N 4.150 123.814 119.800 -0.227 0.000 1.580 264 Q HA 0.196 4.538 4.340 0.003 0.000 0.161 264 Q C 1.009 177.021 176.000 0.021 0.000 0.694 264 Q CA 0.312 56.087 55.803 -0.046 0.000 0.719 264 Q CB -0.010 28.774 28.738 0.077 0.000 1.184 264 Q HN 0.756 nan 8.270 nan 0.000 0.367 265 A N 1.476 124.333 122.820 0.062 0.000 2.131 265 A HA -0.026 4.296 4.320 0.003 0.000 0.220 265 A C 2.083 179.788 177.584 0.202 0.000 1.158 265 A CA 1.514 53.688 52.037 0.228 0.000 0.665 265 A CB -0.603 18.574 19.000 0.295 0.000 0.795 265 A HN 0.191 nan 8.150 nan 0.000 0.460 266 V N 0.047 119.975 119.914 0.023 0.000 2.317 266 V HA -0.331 3.791 4.120 0.003 0.000 0.251 266 V C 2.501 178.541 176.094 -0.089 0.000 1.065 266 V CA 2.262 64.495 62.300 -0.111 0.000 1.049 266 V CB -0.771 31.001 31.823 -0.085 0.000 0.651 266 V HN 0.645 nan 8.190 nan 0.000 0.450 267 L N -0.355 120.854 121.223 -0.022 0.000 2.109 267 L HA -0.127 4.215 4.340 0.003 0.000 0.207 267 L C 2.461 179.332 176.870 0.002 0.000 1.086 267 L CA 1.598 56.432 54.840 -0.011 0.000 0.760 267 L CB -0.693 41.372 42.059 0.010 0.000 0.910 267 L HN 0.363 nan 8.230 nan 0.000 0.437 268 D N 0.566 120.997 120.400 0.052 0.000 2.117 268 D HA -0.172 4.470 4.640 0.003 0.000 0.197 268 D C 2.290 178.613 176.300 0.038 0.000 0.987 268 D CA 1.256 55.314 54.000 0.096 0.000 0.829 268 D CB 0.172 41.101 40.800 0.215 0.000 0.961 268 D HN 0.213 nan 8.370 nan 0.000 0.460 269 R N 0.400 120.830 120.500 -0.116 0.000 2.070 269 R HA -0.112 4.230 4.340 0.003 0.000 0.232 269 R C 2.392 178.613 176.300 -0.132 0.000 1.138 269 R CA 1.221 57.170 56.100 -0.252 0.000 0.936 269 R CB -0.675 29.263 30.300 -0.603 0.000 0.839 269 R HN 0.309 nan 8.270 nan 0.000 0.429 270 N N 1.206 119.837 118.700 -0.115 0.000 2.094 270 N HA -0.192 4.550 4.740 0.003 0.000 0.191 270 N C 1.805 177.301 175.510 -0.023 0.000 1.023 270 N CA 1.387 54.403 53.050 -0.057 0.000 0.857 270 N CB 0.014 38.473 38.487 -0.047 0.000 1.013 270 N HN 0.180 nan 8.380 nan 0.000 0.426 271 L N 0.643 121.855 121.223 -0.017 0.000 2.131 271 L HA 0.003 4.345 4.340 0.003 0.000 0.206 271 L C 2.758 179.610 176.870 -0.029 0.000 1.087 271 L CA 0.827 55.660 54.840 -0.011 0.000 0.767 271 L CB -0.459 41.597 42.059 -0.005 0.000 0.917 271 L HN 0.157 nan 8.230 nan 0.000 0.441 272 A N 0.445 123.257 122.820 -0.014 0.000 1.842 272 A HA -0.276 4.046 4.320 0.003 0.000 0.217 272 A C 2.149 179.704 177.584 -0.048 0.000 1.206 272 A CA 2.053 54.083 52.037 -0.013 0.000 0.630 272 A CB -0.707 18.327 19.000 0.056 0.000 0.839 272 A HN 0.437 nan 8.150 nan 0.000 0.447 273 E N -0.053 120.136 120.200 -0.019 0.000 2.118 273 E HA -0.221 4.131 4.350 0.003 0.000 0.195 273 E C 1.490 178.091 176.600 0.002 0.000 0.992 273 E CA 1.304 57.701 56.400 -0.006 0.000 0.804 273 E CB -0.437 29.266 29.700 0.005 0.000 0.741 273 E HN 0.955 nan 8.360 nan 0.000 0.458 274 N N 0.644 119.354 118.700 0.016 0.000 2.434 274 N HA -0.005 4.737 4.740 0.003 0.000 0.196 274 N C 1.521 177.071 175.510 0.066 0.000 1.183 274 N CA -0.099 52.989 53.050 0.064 0.000 0.849 274 N CB 0.002 38.538 38.487 0.082 0.000 0.992 274 N HN 0.116 nan 8.380 nan 0.000 0.460 275 I N 0.442 120.991 120.570 -0.034 0.000 2.286 275 I HA -0.206 3.965 4.170 0.003 0.000 0.248 275 I C 1.547 177.675 176.117 0.018 0.000 1.115 275 I CA 1.064 62.314 61.300 -0.083 0.000 1.392 275 I CB 0.006 37.757 38.000 -0.414 0.000 1.065 275 I HN 0.229 nan 8.210 nan 0.000 0.418 276 S N -0.257 115.447 115.700 0.008 0.000 2.593 276 S HA 0.110 4.581 4.470 0.003 0.000 0.217 276 S C 1.775 176.502 174.600 0.211 0.000 0.966 276 S CA 0.119 58.379 58.200 0.100 0.000 0.914 276 S CB -0.015 63.218 63.200 0.056 0.000 0.776 276 S HN 0.339 nan 8.310 nan 0.000 0.523 277 R N 0.074 120.706 120.500 0.220 0.000 2.075 277 R HA 0.279 4.621 4.340 0.003 0.000 0.220 277 R C 0.287 176.764 176.300 0.294 0.000 1.118 277 R CA 0.606 56.862 56.100 0.259 0.000 0.986 277 R CB 0.230 30.710 30.300 0.300 0.000 0.884 277 R HN 0.192 nan 8.270 nan 0.000 0.439 278 V N 0.322 120.325 119.914 0.147 0.000 3.114 278 V HA 0.292 4.414 4.120 0.003 0.000 0.308 278 V C -0.831 174.966 176.094 -0.495 0.000 1.168 278 V CA -0.951 61.290 62.300 -0.100 0.000 1.015 278 V CB 2.385 34.185 31.823 -0.038 0.000 1.050 278 V HN 0.034 nan 8.190 nan 0.000 0.433 279 L N 2.753 123.496 121.223 -0.800 0.000 2.472 279 L HA 0.454 4.796 4.340 0.003 0.000 0.260 279 L C -1.237 175.218 176.870 -0.691 0.000 1.209 279 L CA 0.264 54.575 54.840 -0.883 0.000 0.817 279 L CB 0.846 42.424 42.059 -0.802 0.000 1.106 279 L HN 0.670 nan 8.230 nan 0.000 0.479 280 Y N 0.448 120.667 120.300 -0.136 0.000 2.625 280 Y HA 0.615 5.167 4.550 0.003 0.000 0.338 280 Y C -2.174 173.700 175.900 -0.042 0.000 1.123 280 Y CA -1.269 56.806 58.100 -0.042 0.000 1.046 280 Y CB 1.546 40.012 38.460 0.010 0.000 1.299 280 Y HN 0.398 nan 8.280 nan 0.000 0.464 288 G N 0.582 109.343 108.800 -0.066 0.000 2.845 288 G HA2 0.590 4.552 3.960 0.003 0.000 0.282 288 G HA3 0.590 4.552 3.960 0.003 0.000 0.282 288 G C -1.152 173.816 174.900 0.113 0.000 1.546 288 G CA -0.404 44.656 45.100 -0.067 0.000 1.089 288 G HN 0.543 nan 8.290 nan 0.000 0.558 289 K N 0.889 121.430 120.400 0.236 0.000 2.522 289 K HA 0.435 4.757 4.320 0.003 0.000 0.275 289 K C 0.048 176.727 176.600 0.131 0.000 1.006 289 K CA -0.738 55.632 56.287 0.139 0.000 0.890 289 K CB 1.785 34.277 32.500 -0.014 0.000 1.475 289 K HN 0.291 nan 8.250 nan 0.000 0.441 290 E N 0.539 120.764 120.200 0.043 0.000 2.085 290 E HA -0.144 4.207 4.350 0.003 0.000 0.194 290 E C 1.588 178.124 176.600 -0.106 0.000 0.994 290 E CA 1.090 57.459 56.400 -0.052 0.000 0.801 290 E CB 0.084 29.776 29.700 -0.014 0.000 0.743 290 E HN 0.539 nan 8.360 nan 0.000 0.453 291 L N 0.565 121.733 121.223 -0.091 0.000 2.131 291 L HA -0.186 4.156 4.340 0.003 0.000 0.210 291 L C 2.612 179.438 176.870 -0.073 0.000 1.092 291 L CA 1.075 55.860 54.840 -0.092 0.000 0.759 291 L CB -0.209 41.805 42.059 -0.075 0.000 0.903 291 L HN 0.188 nan 8.230 nan 0.000 0.435 292 R N -0.594 119.850 120.500 -0.093 0.000 2.066 292 R HA -0.193 4.149 4.340 0.003 0.000 0.232 292 R C 2.087 178.420 176.300 0.055 0.000 1.131 292 R CA 1.236 57.360 56.100 0.039 0.000 0.955 292 R CB -0.632 29.759 30.300 0.153 0.000 0.851 292 R HN 0.251 nan 8.270 nan 0.000 0.432 293 L N 1.854 122.974 121.223 -0.172 0.000 2.131 293 L HA -0.140 4.202 4.340 0.003 0.000 0.210 293 L C 1.859 178.649 176.870 -0.132 0.000 1.092 293 L CA 1.801 56.364 54.840 -0.462 0.000 0.759 293 L CB -0.229 41.180 42.059 -1.082 0.000 0.903 293 L HN -0.014 nan 8.230 nan 0.000 0.435 294 K N -1.086 119.266 120.400 -0.080 0.000 2.097 294 K HA -0.158 4.164 4.320 0.003 0.000 0.205 294 K C 2.089 178.816 176.600 0.210 0.000 1.050 294 K CA 1.476 57.779 56.287 0.026 0.000 0.938 294 K CB -0.126 32.197 32.500 -0.295 0.000 0.718 294 K HN 0.501 nan 8.250 nan 0.000 0.442 295 Q N 0.718 120.618 119.800 0.168 0.000 2.050 295 Q HA -0.191 4.151 4.340 0.003 0.000 0.202 295 Q C 1.941 178.130 176.000 0.315 0.000 0.980 295 Q CA 1.513 57.474 55.803 0.262 0.000 0.840 295 Q CB -0.001 28.916 28.738 0.297 0.000 0.898 295 Q HN 0.364 nan 8.270 nan 0.000 0.424 296 E N -0.095 120.251 120.200 0.243 0.000 2.023 296 E HA -0.230 4.122 4.350 0.003 0.000 0.196 296 E C 1.821 178.532 176.600 0.186 0.000 1.003 296 E CA 1.292 57.821 56.400 0.215 0.000 0.809 296 E CB -0.251 29.566 29.700 0.195 0.000 0.755 296 E HN 0.308 nan 8.360 nan 0.000 0.449 297 Y N 0.582 120.926 120.300 0.075 0.000 2.224 297 Y HA -0.250 4.302 4.550 0.003 0.000 0.289 297 Y C 1.999 177.945 175.900 0.076 0.000 1.146 297 Y CA 1.266 59.371 58.100 0.007 0.000 1.182 297 Y CB -0.442 38.005 38.460 -0.022 0.000 0.983 297 Y HN 0.059 nan 8.280 nan 0.000 0.524 298 F N -0.444 119.460 119.950 -0.077 0.000 2.065 298 F HA -0.250 4.279 4.527 0.003 0.000 0.298 298 F C 2.453 178.073 175.800 -0.300 0.000 1.112 298 F CA 2.079 59.972 58.000 -0.178 0.000 1.212 298 F CB -1.041 38.014 39.000 0.092 0.000 0.975 298 F HN -0.078 nan 8.300 nan 0.000 0.476 299 V N -0.449 119.434 119.914 -0.051 0.000 2.427 299 V HA -0.205 3.917 4.120 0.003 0.000 0.248 299 V C 2.233 178.164 176.094 -0.272 0.000 1.051 299 V CA 1.817 64.030 62.300 -0.144 0.000 1.048 299 V CB -0.304 31.644 31.823 0.208 0.000 0.666 299 V HN 0.288 nan 8.190 nan 0.000 0.456 300 V N 0.310 120.078 119.914 -0.244 0.000 2.295 300 V HA -0.208 3.914 4.120 0.003 0.000 0.246 300 V C 2.751 178.590 176.094 -0.425 0.000 1.049 300 V CA 2.155 64.300 62.300 -0.259 0.000 1.024 300 V CB -1.015 30.714 31.823 -0.157 0.000 0.648 300 V HN 0.638 nan 8.190 nan 0.000 0.447 301 A N -0.230 122.177 122.820 -0.689 0.000 1.873 301 A HA -0.093 4.229 4.320 0.003 0.000 0.215 301 A C 2.398 179.622 177.584 -0.601 0.000 1.186 301 A CA 2.105 53.742 52.037 -0.668 0.000 0.616 301 A CB -0.811 17.615 19.000 -0.956 0.000 0.823 301 A HN 0.562 nan 8.150 nan 0.000 0.442 302 A N -1.088 121.206 122.820 -0.877 0.000 1.873 302 A HA -0.048 4.274 4.320 0.003 0.000 0.215 302 A C 2.313 179.388 177.584 -0.848 0.000 1.186 302 A CA 2.238 53.574 52.037 -1.169 0.000 0.616 302 A CB -1.275 16.430 19.000 -2.160 0.000 0.823 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.291 114.484 114.554 -0.601 0.000 2.708 303 T HA -0.116 4.236 4.350 0.003 0.000 0.266 303 T C 1.713 176.155 174.700 -0.430 0.000 1.037 303 T CA 1.638 63.527 62.100 -0.351 0.000 1.146 303 T CB -0.334 68.327 68.868 -0.344 0.000 0.865 303 T HN 0.224 nan 8.240 nan 0.000 0.435 304 L N 0.953 121.958 121.223 -0.364 0.000 2.201 304 L HA -0.021 4.321 4.340 0.003 0.000 0.212 304 L C 2.650 179.404 176.870 -0.193 0.000 1.105 304 L CA 1.409 56.085 54.840 -0.272 0.000 0.775 304 L CB -0.589 41.352 42.059 -0.197 0.000 0.913 304 L HN 0.288 nan 8.230 nan 0.000 0.440 305 Q N -0.926 118.757 119.800 -0.195 0.000 2.079 305 Q HA -0.207 4.134 4.340 0.003 0.000 0.200 305 Q C 1.689 177.658 176.000 -0.051 0.000 0.974 305 Q CA 1.440 57.181 55.803 -0.103 0.000 0.840 305 Q CB -0.104 28.565 28.738 -0.115 0.000 0.898 305 Q HN 0.415 nan 8.270 nan 0.000 0.430 306 D N 0.717 121.089 120.400 -0.046 0.000 2.097 306 D HA -0.107 4.535 4.640 0.003 0.000 0.195 306 D C 1.780 178.026 176.300 -0.090 0.000 0.989 306 D CA 0.876 54.889 54.000 0.022 0.000 0.827 306 D CB -0.099 40.806 40.800 0.174 0.000 0.966 306 D HN 0.146 nan 8.370 nan 0.000 0.456 307 I N 0.394 120.790 120.570 -0.290 0.000 2.118 307 I HA -0.285 3.886 4.170 0.003 0.000 0.241 307 I C 2.399 178.511 176.117 -0.008 0.000 1.070 307 I CA 0.894 61.958 61.300 -0.393 0.000 1.327 307 I CB -0.202 37.403 38.000 -0.659 0.000 1.034 307 I HN 0.035 nan 8.210 nan 0.000 0.405 308 I N -0.026 120.606 120.570 0.104 0.000 2.179 308 I HA -0.300 3.872 4.170 0.003 0.000 0.242 308 I C 2.813 179.091 176.117 0.267 0.000 1.088 308 I CA 1.158 62.636 61.300 0.297 0.000 1.357 308 I CB -0.460 37.670 38.000 0.216 0.000 1.051 308 I HN 0.210 nan 8.210 nan 0.000 0.409 309 R N 1.244 121.834 120.500 0.150 0.000 2.115 309 R HA -0.264 4.078 4.340 0.003 0.000 0.239 309 R C 2.495 178.876 176.300 0.135 0.000 1.133 309 R CA 2.176 58.352 56.100 0.126 0.000 0.935 309 R CB -0.405 29.945 30.300 0.082 0.000 0.853 309 R HN 0.236 nan 8.270 nan 0.000 0.433 310 R N -0.635 119.932 120.500 0.112 0.000 2.152 310 R HA -0.160 4.182 4.340 0.003 0.000 0.232 310 R C 2.211 178.639 176.300 0.213 0.000 1.117 310 R CA 1.499 57.674 56.100 0.124 0.000 0.981 310 R CB -0.333 30.015 30.300 0.080 0.000 0.870 310 R HN 0.300 nan 8.270 nan 0.000 0.451 311 F N 1.180 121.165 119.950 0.058 0.000 2.186 311 F HA -0.069 4.459 4.527 0.003 0.000 0.299 311 F C 1.659 177.511 175.800 0.086 0.000 1.090 311 F CA 1.428 59.413 58.000 -0.024 0.000 1.307 311 F CB 0.115 39.077 39.000 -0.062 0.000 1.019 311 F HN -0.129 nan 8.300 nan 0.000 0.489 312 K N -0.308 120.171 120.400 0.131 0.000 2.005 312 K HA -0.050 4.271 4.320 0.003 0.000 0.206 312 K C 2.309 178.962 176.600 0.087 0.000 1.044 312 K CA 1.363 57.671 56.287 0.035 0.000 0.942 312 K CB -0.468 32.097 32.500 0.108 0.000 0.727 312 K HN 0.090 nan 8.250 nan 0.000 0.439 313 S N 1.165 116.927 115.700 0.104 0.000 2.354 313 S HA -0.070 4.402 4.470 0.003 0.000 0.219 313 S C 0.831 175.498 174.600 0.112 0.000 1.035 313 S CA 0.920 59.168 58.200 0.079 0.000 1.037 313 S CB -0.129 63.102 63.200 0.052 0.000 0.956 313 S HN 0.151 nan 8.310 nan 0.000 0.428 314 S N 1.797 117.598 115.700 0.169 0.000 2.465 314 S HA 0.273 4.745 4.470 0.003 0.000 0.307 314 S C 0.666 175.437 174.600 0.284 0.000 1.187 314 S CA -0.050 58.333 58.200 0.305 0.000 1.141 314 S CB 0.340 63.742 63.200 0.337 0.000 1.108 314 S HN 0.385 nan 8.310 nan 0.000 0.525 315 K N 1.789 122.302 120.400 0.188 0.000 9.219 315 K HA -0.231 4.091 4.320 0.003 0.000 0.503 315 K C 0.556 176.941 176.600 -0.358 0.000 0.368 315 K CA 2.248 58.409 56.287 -0.210 0.000 1.959 315 K CB -1.856 30.274 32.500 -0.616 0.000 0.691 315 K HN 0.502 nan 8.250 nan 0.000 1.032 316 F N 0.749 120.563 119.950 -0.227 0.000 2.722 316 F HA 0.177 4.706 4.527 0.003 0.000 0.298 316 F C 1.946 177.613 175.800 -0.222 0.000 1.175 316 F CA 0.939 58.743 58.000 -0.327 0.000 1.462 316 F CB -0.281 38.266 39.000 -0.754 0.000 1.111 316 F HN 0.321 nan 8.300 nan 0.000 0.592 317 G N -1.999 106.787 108.800 -0.023 0.000 3.088 317 G HA2 0.058 4.020 3.960 0.003 0.000 0.217 317 G HA3 0.058 4.020 3.960 0.003 0.000 0.217 317 G C 0.881 175.772 174.900 -0.014 0.000 1.159 317 G CA 0.639 45.738 45.100 -0.002 0.000 0.760 317 G HN 0.423 nan 8.290 nan 0.000 0.550 318 C N -0.980 118.293 119.300 -0.044 0.000 3.070 318 C HA 0.439 4.901 4.460 0.003 0.000 0.226 318 C C 1.059 176.008 174.990 -0.070 0.000 2.355 318 C CA -0.592 58.401 59.018 -0.043 0.000 1.480 318 C CB -0.116 27.604 27.740 -0.034 0.000 1.232 318 C HN 0.310 nan 8.230 nan 0.000 0.761 319 R N 2.840 123.270 120.500 -0.117 0.000 2.442 319 R HA 0.193 4.535 4.340 0.003 0.000 0.291 319 R C -1.142 175.082 176.300 -0.126 0.000 1.069 319 R CA 1.334 57.362 56.100 -0.120 0.000 1.022 319 R CB 0.180 30.384 30.300 -0.159 0.000 0.976 319 R HN 0.816 nan 8.270 nan 0.000 0.443 320 D N 3.148 123.514 120.400 -0.057 0.000 2.755 320 D HA 0.176 4.818 4.640 0.003 0.000 0.293 320 D C -2.017 174.302 176.300 0.031 0.000 1.642 320 D CA -0.803 53.191 54.000 -0.011 0.000 0.825 320 D CB 0.263 41.060 40.800 -0.004 0.000 1.303 320 D HN 0.287 nan 8.370 nan 0.000 0.434 321 P HA -0.307 nan 4.420 nan 0.000 0.226 321 P C 0.054 177.382 177.300 0.047 0.000 1.080 321 P CA 2.037 65.158 63.100 0.035 0.000 0.916 321 P CB 0.146 31.871 31.700 0.042 0.000 0.661 322 V N -2.138 117.813 119.914 0.062 0.000 2.697 322 V HA 0.347 4.468 4.120 0.003 0.000 0.300 322 V C 0.497 176.642 176.094 0.084 0.000 1.115 322 V CA -0.631 61.710 62.300 0.069 0.000 0.912 322 V CB 1.491 33.360 31.823 0.076 0.000 1.024 322 V HN 0.287 nan 8.190 nan 0.000 0.431 323 R N 3.582 124.129 120.500 0.078 0.000 3.681 323 R HA -0.200 4.142 4.340 0.003 0.000 0.241 323 R C 0.218 176.581 176.300 0.105 0.000 1.093 323 R CA 1.268 57.421 56.100 0.089 0.000 0.720 323 R CB -2.873 27.486 30.300 0.099 0.000 1.088 323 R HN 1.659 nan 8.270 nan 0.000 0.514 324 T N -0.879 113.720 114.554 0.076 0.000 2.243 324 T HA -0.120 4.232 4.350 0.003 0.000 0.558 324 T C -0.743 173.967 174.700 0.017 0.000 0.868 324 T CA 0.366 62.484 62.100 0.030 0.000 2.962 324 T CB -0.808 68.069 68.868 0.016 0.000 1.827 324 T HN 0.626 nan 8.240 nan 0.000 0.523 325 N N 1.117 119.847 118.700 0.050 0.000 2.424 325 N HA 0.375 5.117 4.740 0.003 0.000 0.271 325 N C 0.691 176.305 175.510 0.173 0.000 0.985 325 N CA -0.642 52.480 53.050 0.120 0.000 0.921 325 N CB 0.499 39.076 38.487 0.150 0.000 1.149 325 N HN 0.345 nan 8.380 nan 0.000 0.492 326 F N 1.015 121.112 119.950 0.246 0.000 2.494 326 F HA -0.124 4.405 4.527 0.003 0.000 0.298 326 F C 2.181 178.035 175.800 0.089 0.000 1.106 326 F CA 0.559 58.622 58.000 0.105 0.000 1.452 326 F CB 0.012 38.958 39.000 -0.090 0.000 1.085 326 F HN 0.574 nan 8.300 nan 0.000 0.569 327 D N 0.127 120.676 120.400 0.248 0.000 2.123 327 D HA -0.175 4.467 4.640 0.003 0.000 0.196 327 D C 2.226 178.627 176.300 0.168 0.000 0.992 327 D CA 1.467 55.570 54.000 0.172 0.000 0.833 327 D CB 0.022 40.908 40.800 0.144 0.000 0.954 327 D HN 0.298 nan 8.370 nan 0.000 0.455 328 A N -0.409 122.541 122.820 0.218 0.000 2.208 328 A HA -0.027 4.295 4.320 0.003 0.000 0.209 328 A C 1.759 179.464 177.584 0.201 0.000 1.161 328 A CA -0.066 52.104 52.037 0.220 0.000 0.782 328 A CB -0.628 18.546 19.000 0.290 0.000 0.816 328 A HN 0.216 nan 8.150 nan 0.000 0.477 329 F N 1.807 121.709 119.950 -0.081 0.000 2.095 329 F HA -0.084 4.445 4.527 0.003 0.000 0.298 329 F C -0.790 174.864 175.800 -0.243 0.000 1.104 329 F CA 2.087 59.792 58.000 -0.492 0.000 1.232 329 F CB -0.681 37.972 39.000 -0.580 0.000 0.987 329 F HN 0.193 nan 8.300 nan 0.000 0.475 330 P HA -0.114 nan 4.420 nan 0.000 0.223 330 P C 0.540 177.815 177.300 -0.042 0.000 1.144 330 P CA 1.548 64.648 63.100 0.002 0.000 0.783 330 P CB -0.048 31.657 31.700 0.008 0.000 0.771 331 D N -1.471 118.917 120.400 -0.020 0.000 2.367 331 D HA 0.034 4.676 4.640 0.003 0.000 0.207 331 D C 1.419 177.715 176.300 -0.006 0.000 1.034 331 D CA 0.590 54.594 54.000 0.006 0.000 0.861 331 D CB 0.171 41.002 40.800 0.052 0.000 0.943 331 D HN 0.122 nan 8.370 nan 0.000 0.515 332 K N 0.185 120.538 120.400 -0.078 0.000 2.402 332 K HA 0.239 4.561 4.320 0.003 0.000 0.204 332 K C -0.155 176.317 176.600 -0.213 0.000 1.056 332 K CA 0.027 56.267 56.287 -0.080 0.000 1.069 332 K CB 2.506 35.006 32.500 0.001 0.000 0.888 332 K HN -0.071 nan 8.250 nan 0.000 0.546 333 V N 0.743 120.446 119.914 -0.352 0.000 2.808 333 V HA 0.628 4.750 4.120 0.003 0.000 0.308 333 V C -1.263 174.731 176.094 -0.167 0.000 1.099 333 V CA -1.253 60.850 62.300 -0.329 0.000 0.920 333 V CB 1.996 33.317 31.823 -0.837 0.000 1.014 333 V HN 0.112 nan 8.190 nan 0.000 0.425 334 A N 5.271 128.044 122.820 -0.077 0.000 2.359 334 A HA 0.913 5.235 4.320 0.003 0.000 0.303 334 A C -1.055 176.541 177.584 0.020 0.000 1.066 334 A CA -0.442 51.584 52.037 -0.018 0.000 0.730 334 A CB 1.036 19.959 19.000 -0.130 0.000 1.211 334 A HN 0.750 nan 8.150 nan 0.000 0.439 335 I N 1.962 122.594 120.570 0.102 0.000 2.382 335 I HA 0.283 4.455 4.170 0.003 0.000 0.286 335 I C -0.279 175.924 176.117 0.143 0.000 1.002 335 I CA -0.624 60.751 61.300 0.125 0.000 1.135 335 I CB 1.920 39.972 38.000 0.087 0.000 1.288 335 I HN 0.706 nan 8.210 nan 0.000 0.448 336 Q N 6.048 125.940 119.800 0.153 0.000 2.303 336 Q HA 0.392 4.734 4.340 0.003 0.000 0.257 336 Q C -1.358 174.692 176.000 0.084 0.000 0.941 336 Q CA -0.400 55.538 55.803 0.226 0.000 0.931 336 Q CB 1.084 30.067 28.738 0.410 0.000 1.215 336 Q HN 0.420 nan 8.270 nan 0.000 0.437 337 L N 4.589 125.890 121.223 0.129 0.000 2.259 337 L HA 0.349 4.691 4.340 0.003 0.000 0.288 337 L C -0.639 176.329 176.870 0.164 0.000 1.051 337 L CA -0.184 54.726 54.840 0.116 0.000 0.824 337 L CB 0.488 42.631 42.059 0.139 0.000 1.206 337 L HN 0.578 nan 8.230 nan 0.000 0.429 338 N N 4.204 122.939 118.700 0.059 0.000 2.415 338 N HA 0.208 4.950 4.740 0.003 0.000 0.250 338 N C -0.273 175.322 175.510 0.142 0.000 1.127 338 N CA 0.103 53.230 53.050 0.128 0.000 0.945 338 N CB 0.153 38.615 38.487 -0.042 0.000 1.196 338 N HN 0.454 nan 8.380 nan 0.000 0.499 339 D N -1.139 119.420 120.400 0.265 0.000 4.658 339 D HA -0.197 4.445 4.640 0.003 0.000 0.304 339 D C 0.768 177.137 176.300 0.114 0.000 2.363 339 D CA 1.403 55.508 54.000 0.174 0.000 1.179 339 D CB -0.313 40.316 40.800 -0.285 0.000 1.091 339 D HN 0.491 nan 8.370 nan 0.000 1.274 340 T N -3.039 111.488 114.554 -0.045 0.000 3.113 340 T HA 0.007 4.358 4.350 0.003 0.000 0.256 340 T C 1.523 176.249 174.700 0.044 0.000 1.131 340 T CA 1.663 63.740 62.100 -0.039 0.000 1.074 340 T CB -0.408 68.443 68.868 -0.029 0.000 0.944 340 T HN 0.489 nan 8.240 nan 0.000 0.516 341 H N 2.703 121.866 119.070 0.155 0.000 2.353 341 H HA -0.014 4.543 4.556 0.003 0.000 0.298 341 H C -0.861 174.555 175.328 0.147 0.000 1.103 341 H CA 1.224 57.374 56.048 0.169 0.000 1.293 341 H CB -1.093 28.759 29.762 0.150 0.000 1.372 341 H HN 0.450 nan 8.280 nan 0.000 0.501 342 P HA 0.043 nan 4.420 nan 0.000 0.256 342 P C 0.619 177.959 177.300 0.067 0.000 1.384 342 P CA 0.414 63.589 63.100 0.125 0.000 0.879 342 P CB 0.277 32.037 31.700 0.100 0.000 1.403 343 S N -0.766 114.967 115.700 0.055 0.000 2.507 343 S HA -0.057 4.414 4.470 0.003 0.000 0.235 343 S C 1.608 176.212 174.600 0.007 0.000 0.988 343 S CA 0.627 58.822 58.200 -0.008 0.000 0.944 343 S CB -1.304 61.861 63.200 -0.058 0.000 0.762 343 S HN 0.157 nan 8.310 nan 0.000 0.526 344 L N 0.895 122.136 121.223 0.031 0.000 2.465 344 L HA 0.088 4.430 4.340 0.003 0.000 0.224 344 L C 2.856 179.741 176.870 0.024 0.000 1.145 344 L CA 0.631 55.479 54.840 0.013 0.000 0.834 344 L CB -0.664 41.400 42.059 0.008 0.000 0.944 344 L HN 0.440 nan 8.230 nan 0.000 0.451 345 A N 0.581 123.406 122.820 0.009 0.000 1.940 345 A HA -0.203 4.119 4.320 0.003 0.000 0.219 345 A C 2.195 179.776 177.584 -0.006 0.000 1.176 345 A CA 1.587 53.617 52.037 -0.012 0.000 0.631 345 A CB -0.498 18.489 19.000 -0.021 0.000 0.814 345 A HN 0.376 nan 8.150 nan 0.000 0.446 346 I N 0.285 120.855 120.570 -0.001 0.000 2.133 346 I HA -0.136 4.036 4.170 0.003 0.000 0.238 346 I C -0.246 175.900 176.117 0.048 0.000 1.074 346 I CA 1.507 62.811 61.300 0.007 0.000 1.342 346 I CB -1.027 36.985 38.000 0.021 0.000 1.053 346 I HN 0.259 nan 8.210 nan 0.000 0.404 347 P HA -0.184 nan 4.420 nan 0.000 0.221 347 P C 1.265 178.643 177.300 0.129 0.000 1.150 347 P CA 1.545 64.705 63.100 0.100 0.000 0.800 347 P CB 0.053 31.832 31.700 0.130 0.000 0.787 348 E N 0.198 120.504 120.200 0.177 0.000 2.150 348 E HA -0.136 4.216 4.350 0.003 0.000 0.193 348 E C 1.919 178.540 176.600 0.035 0.000 0.985 348 E CA 0.562 57.099 56.400 0.227 0.000 0.814 348 E CB -1.148 28.666 29.700 0.189 0.000 0.752 348 E HN 0.031 nan 8.360 nan 0.000 0.466 349 L N -0.177 121.022 121.223 -0.039 0.000 2.093 349 L HA -0.052 4.290 4.340 0.003 0.000 0.208 349 L C 1.990 178.743 176.870 -0.195 0.000 1.085 349 L CA 1.591 56.352 54.840 -0.132 0.000 0.755 349 L CB -0.463 41.515 42.059 -0.134 0.000 0.904 349 L HN 0.209 nan 8.230 nan 0.000 0.435 350 M N -0.762 118.745 119.600 -0.156 0.000 2.099 350 M HA -0.169 4.313 4.480 0.003 0.000 0.262 350 M C 2.410 178.594 176.300 -0.193 0.000 1.067 350 M CA 1.503 56.672 55.300 -0.219 0.000 1.124 350 M CB -1.200 31.264 32.600 -0.227 0.000 1.353 350 M HN 0.300 nan 8.290 nan 0.000 0.410 351 R N 0.079 120.491 120.500 -0.147 0.000 2.097 351 R HA -0.165 4.177 4.340 0.003 0.000 0.236 351 R C 2.073 178.298 176.300 -0.125 0.000 1.135 351 R CA 2.163 58.172 56.100 -0.152 0.000 0.934 351 R CB -0.422 29.757 30.300 -0.201 0.000 0.846 351 R HN 0.196 nan 8.270 nan 0.000 0.431 352 V N 1.349 121.193 119.914 -0.118 0.000 2.287 352 V HA -0.268 3.854 4.120 0.003 0.000 0.248 352 V C 2.447 178.407 176.094 -0.224 0.000 1.053 352 V CA 1.920 64.141 62.300 -0.131 0.000 1.027 352 V CB -0.422 31.321 31.823 -0.133 0.000 0.646 352 V HN 0.359 nan 8.190 nan 0.000 0.447 353 L N -0.948 120.082 121.223 -0.320 0.000 2.027 353 L HA -0.120 4.221 4.340 0.003 0.000 0.206 353 L C 2.381 179.085 176.870 -0.277 0.000 1.074 353 L CA 1.098 55.673 54.840 -0.442 0.000 0.745 353 L CB -0.514 41.229 42.059 -0.526 0.000 0.898 353 L HN 0.184 nan 8.230 nan 0.000 0.433 354 V N -0.231 119.569 119.914 -0.189 0.000 2.249 354 V HA -0.221 3.901 4.120 0.003 0.000 0.239 354 V C 2.063 178.123 176.094 -0.056 0.000 1.038 354 V CA 1.885 64.135 62.300 -0.084 0.000 1.005 354 V CB -0.380 31.426 31.823 -0.029 0.000 0.646 354 V HN 0.375 nan 8.190 nan 0.000 0.455 355 D N 0.003 120.368 120.400 -0.057 0.000 2.117 355 D HA -0.111 4.531 4.640 0.003 0.000 0.197 355 D C 1.828 178.106 176.300 -0.038 0.000 0.987 355 D CA 1.164 55.142 54.000 -0.037 0.000 0.829 355 D CB -0.170 40.606 40.800 -0.040 0.000 0.961 355 D HN 0.203 nan 8.370 nan 0.000 0.460 356 L N 0.480 121.669 121.223 -0.058 0.000 2.253 356 L HA 0.068 4.410 4.340 0.003 0.000 0.205 356 L C 1.848 178.693 176.870 -0.042 0.000 1.078 356 L CA 1.124 55.942 54.840 -0.037 0.000 0.805 356 L CB -0.412 41.628 42.059 -0.031 0.000 0.963 356 L HN -0.087 nan 8.230 nan 0.000 0.459 357 E N -0.294 119.846 120.200 -0.099 0.000 2.479 357 E HA 0.043 4.395 4.350 0.003 0.000 0.193 357 E C 0.130 176.700 176.600 -0.051 0.000 1.049 357 E CA -0.114 56.236 56.400 -0.083 0.000 0.870 357 E CB 0.279 29.835 29.700 -0.240 0.000 0.944 357 E HN 0.050 nan 8.360 nan 0.000 0.492 358 R N -0.243 120.228 120.500 -0.049 0.000 3.770 358 R HA -0.148 4.194 4.340 0.003 0.000 0.305 358 R C -0.166 176.127 176.300 -0.011 0.000 1.184 358 R CA 0.315 56.407 56.100 -0.013 0.000 0.823 358 R CB -2.809 27.500 30.300 0.014 0.000 1.285 358 R HN 0.177 nan 8.270 nan 0.000 0.499 359 L N 0.029 121.220 121.223 -0.054 0.000 2.468 359 L HA 0.308 4.650 4.340 0.003 0.000 0.254 359 L C 0.627 177.504 176.870 0.012 0.000 1.171 359 L CA -0.608 54.215 54.840 -0.028 0.000 0.809 359 L CB 0.487 42.493 42.059 -0.089 0.000 1.155 359 L HN 0.062 nan 8.230 nan 0.000 0.473 360 D N -1.432 118.999 120.400 0.052 0.000 2.304 360 D HA 0.027 4.668 4.640 0.003 0.000 0.247 360 D C 0.271 176.670 176.300 0.166 0.000 1.089 360 D CA -0.469 53.601 54.000 0.116 0.000 0.910 360 D CB 0.816 41.691 40.800 0.125 0.000 1.199 360 D HN 0.442 nan 8.370 nan 0.000 0.426 361 W N 1.082 122.393 121.300 0.017 0.000 2.321 361 W HA -0.220 4.442 4.660 0.003 0.000 0.306 361 W C 1.401 177.981 176.519 0.101 0.000 1.217 361 W CA 1.429 58.795 57.345 0.036 0.000 1.257 361 W CB 0.077 29.533 29.460 -0.006 0.000 1.145 361 W HN 0.457 nan 8.180 nan 0.000 0.509 362 D N -0.255 120.399 120.400 0.424 0.000 2.117 362 D HA -0.197 4.445 4.640 0.003 0.000 0.198 362 D C 1.875 178.307 176.300 0.220 0.000 0.982 362 D CA 1.539 55.747 54.000 0.346 0.000 0.828 362 D CB -0.385 40.571 40.800 0.259 0.000 0.967 362 D HN 0.082 nan 8.370 nan 0.000 0.464 363 K N 1.651 122.136 120.400 0.142 0.000 2.026 363 K HA -0.067 4.255 4.320 0.003 0.000 0.208 363 K C 1.877 178.490 176.600 0.021 0.000 1.048 363 K CA 1.586 57.920 56.287 0.080 0.000 0.929 363 K CB -0.561 31.977 32.500 0.064 0.000 0.713 363 K HN -0.003 nan 8.250 nan 0.000 0.439 364 A N 0.045 122.848 122.820 -0.028 0.000 2.015 364 A HA -0.136 4.186 4.320 0.003 0.000 0.219 364 A C 2.182 179.679 177.584 -0.145 0.000 1.163 364 A CA 1.234 53.180 52.037 -0.151 0.000 0.646 364 A CB -0.986 17.884 19.000 -0.218 0.000 0.806 364 A HN 0.692 nan 8.150 nan 0.000 0.448 365 W N 0.637 121.756 121.300 -0.303 0.000 2.453 365 W HA -0.079 4.583 4.660 0.003 0.000 0.289 365 W C 1.921 178.372 176.519 -0.114 0.000 1.215 365 W CA 1.427 58.591 57.345 -0.301 0.000 1.297 365 W CB 0.021 29.291 29.460 -0.316 0.000 1.113 365 W HN 0.584 nan 8.180 nan 0.000 0.551 366 E N 0.501 120.673 120.200 -0.047 0.000 2.051 366 E HA -0.198 4.154 4.350 0.003 0.000 0.192 366 E C 1.997 178.510 176.600 -0.145 0.000 0.991 366 E CA 1.759 58.110 56.400 -0.081 0.000 0.799 366 E CB -0.415 29.300 29.700 0.026 0.000 0.748 366 E HN 0.064 nan 8.360 nan 0.000 0.449 367 V N 1.119 120.969 119.914 -0.108 0.000 2.332 367 V HA -0.256 3.866 4.120 0.003 0.000 0.248 367 V C 2.496 178.499 176.094 -0.152 0.000 1.055 367 V CA 2.223 64.470 62.300 -0.088 0.000 1.038 367 V CB -0.825 30.941 31.823 -0.094 0.000 0.651 367 V HN 0.360 nan 8.190 nan 0.000 0.450 368 T N 0.270 114.656 114.554 -0.280 0.000 2.737 368 T HA -0.166 4.186 4.350 0.003 0.000 0.265 368 T C 1.951 176.418 174.700 -0.388 0.000 1.038 368 T CA 1.857 63.757 62.100 -0.332 0.000 1.144 368 T CB -0.290 68.320 68.868 -0.430 0.000 0.866 368 T HN 0.481 nan 8.240 nan 0.000 0.434 369 V N 0.553 120.119 119.914 -0.580 0.000 2.809 369 V HA 0.046 4.168 4.120 0.003 0.000 0.256 369 V C 1.906 177.947 176.094 -0.087 0.000 1.080 369 V CA 1.363 63.428 62.300 -0.392 0.000 1.102 369 V CB -0.611 30.930 31.823 -0.471 0.000 0.705 369 V HN 0.371 nan 8.190 nan 0.000 0.475 370 K N 0.154 120.474 120.400 -0.134 0.000 2.296 370 K HA 0.004 4.326 4.320 0.003 0.000 0.200 370 K C 2.069 178.630 176.600 -0.065 0.000 1.048 370 K CA 1.500 57.675 56.287 -0.187 0.000 0.966 370 K CB -0.158 32.244 32.500 -0.164 0.000 0.754 370 K HN 0.550 nan 8.250 nan 0.000 0.466 371 T N 0.394 114.971 114.554 0.038 0.000 2.976 371 T HA 0.012 4.364 4.350 0.003 0.000 0.257 371 T C 0.979 175.795 174.700 0.194 0.000 1.051 371 T CA 0.443 62.609 62.100 0.110 0.000 1.141 371 T CB 0.100 69.043 68.868 0.124 0.000 0.881 371 T HN 0.159 nan 8.240 nan 0.000 0.461 372 C N 2.096 121.492 119.300 0.160 0.000 2.370 372 C HA 0.893 5.355 4.460 0.003 0.000 0.354 372 C C 0.540 175.582 174.990 0.085 0.000 1.218 372 C CA -1.155 57.928 59.018 0.110 0.000 2.154 372 C CB 0.411 28.156 27.740 0.009 0.000 2.391 372 C HN 0.594 nan 8.230 nan 0.000 0.540 373 A N 1.682 124.542 122.820 0.066 0.000 2.498 373 A HA 0.750 5.072 4.320 0.003 0.000 0.298 373 A C -1.744 175.918 177.584 0.130 0.000 1.075 373 A CA -0.349 51.669 52.037 -0.031 0.000 0.714 373 A CB 1.117 20.083 19.000 -0.057 0.000 1.299 373 A HN 0.844 nan 8.150 nan 0.000 0.407 374 Y N 1.010 121.266 120.300 -0.073 0.000 2.341 374 Y HA 0.679 5.231 4.550 0.003 0.000 0.338 374 Y C -0.476 175.415 175.900 -0.016 0.000 0.965 374 Y CA -0.715 57.353 58.100 -0.052 0.000 1.108 374 Y CB 1.878 40.256 38.460 -0.137 0.000 1.180 374 Y HN 0.584 nan 8.280 nan 0.000 0.458 375 T N 6.813 121.216 114.554 -0.251 0.000 2.807 375 T HA 0.260 4.612 4.350 0.003 0.000 0.279 375 T C -0.829 173.473 174.700 -0.663 0.000 0.993 375 T CA -0.884 60.984 62.100 -0.387 0.000 0.970 375 T CB 0.674 69.508 68.868 -0.057 0.000 0.950 375 T HN 0.641 nan 8.240 nan 0.000 0.441 376 N N 1.366 119.668 118.700 -0.664 0.000 2.438 376 N HA 0.163 4.905 4.740 0.003 0.000 0.282 376 N C 0.052 175.487 175.510 -0.125 0.000 1.037 376 N CA -0.311 52.560 53.050 -0.300 0.000 0.942 376 N CB 0.821 39.256 38.487 -0.087 0.000 1.136 376 N HN 0.674 nan 8.380 nan 0.000 0.481 377 H N 1.284 120.385 119.070 0.052 0.000 2.986 377 H HA 0.194 4.752 4.556 0.003 0.000 0.267 377 H C -0.254 174.983 175.328 -0.151 0.000 1.072 377 H CA 0.233 56.265 56.048 -0.027 0.000 1.202 377 H CB 1.072 30.822 29.762 -0.019 0.000 1.535 377 H HN 0.581 nan 8.280 nan 0.000 0.522 378 T N -1.478 113.089 114.554 0.022 0.000 2.830 378 T HA 0.152 4.504 4.350 0.003 0.000 0.322 378 T C 0.528 175.243 174.700 0.025 0.000 1.501 378 T CA -0.403 61.654 62.100 -0.072 0.000 1.036 378 T CB 2.133 70.948 68.868 -0.089 0.000 1.379 378 T HN -0.076 nan 8.240 nan 0.000 0.493 379 V N 0.467 120.365 119.914 -0.027 0.000 2.627 379 V HA 0.346 4.468 4.120 0.003 0.000 0.239 379 V C 0.430 176.485 176.094 -0.065 0.000 1.077 379 V CA 0.138 62.427 62.300 -0.019 0.000 1.103 379 V CB -0.214 31.610 31.823 0.002 0.000 0.802 379 V HN 0.811 nan 8.190 nan 0.000 0.482 380 I N 2.412 122.938 120.570 -0.074 0.000 2.742 380 I HA 0.112 4.284 4.170 0.003 0.000 0.287 380 I C -1.128 174.963 176.117 -0.044 0.000 1.186 380 I CA -1.461 59.804 61.300 -0.058 0.000 1.417 380 I CB -0.058 37.918 38.000 -0.041 0.000 1.377 380 I HN 0.231 nan 8.210 nan 0.000 0.556 381 P HA -0.250 nan 4.420 nan 0.000 0.221 381 P C 1.117 178.400 177.300 -0.028 0.000 1.145 381 P CA 1.299 64.384 63.100 -0.026 0.000 0.812 381 P CB 0.346 32.034 31.700 -0.019 0.000 0.755 382 E N -0.822 119.360 120.200 -0.030 0.000 2.058 382 E HA -0.144 4.208 4.350 0.003 0.000 0.194 382 E C 2.010 178.591 176.600 -0.031 0.000 0.997 382 E CA 1.571 57.951 56.400 -0.034 0.000 0.801 382 E CB -1.083 28.605 29.700 -0.020 0.000 0.746 382 E HN 0.209 nan 8.360 nan 0.000 0.450 383 A N -0.115 122.698 122.820 -0.011 0.000 2.239 383 A HA 0.055 4.377 4.320 0.003 0.000 0.209 383 A C 0.066 177.668 177.584 0.029 0.000 1.171 383 A CA 0.351 52.398 52.037 0.016 0.000 0.768 383 A CB -0.181 18.826 19.000 0.012 0.000 0.790 383 A HN 0.084 nan 8.150 nan 0.000 0.478 384 L N 1.123 122.351 121.223 0.009 0.000 2.384 384 L HA 0.292 4.634 4.340 0.003 0.000 0.261 384 L C -0.328 176.495 176.870 -0.078 0.000 1.024 384 L CA -0.233 54.617 54.840 0.017 0.000 0.899 384 L CB 1.024 43.131 42.059 0.080 0.000 1.243 384 L HN 0.196 nan 8.230 nan 0.000 0.449 385 E N 3.169 123.299 120.200 -0.117 0.000 2.481 385 E HA 0.193 4.544 4.350 0.003 0.000 0.263 385 E C -0.335 176.053 176.600 -0.353 0.000 0.992 385 E CA 0.247 56.473 56.400 -0.290 0.000 0.938 385 E CB 0.632 30.148 29.700 -0.308 0.000 0.933 385 E HN 0.379 nan 8.360 nan 0.000 0.453 386 R N 2.549 122.741 120.500 -0.513 0.000 2.575 386 R HA 0.363 4.705 4.340 0.003 0.000 0.293 386 R C -1.224 174.740 176.300 -0.561 0.000 0.983 386 R CA -0.722 55.153 56.100 -0.376 0.000 0.887 386 R CB 1.338 31.501 30.300 -0.228 0.000 1.184 386 R HN 0.498 nan 8.270 nan 0.000 0.445 387 W N 2.980 124.241 121.300 -0.065 0.000 2.587 387 W HA 0.363 5.025 4.660 0.003 0.000 0.324 387 W C -2.175 174.270 176.519 -0.123 0.000 1.040 387 W CA -2.387 54.905 57.345 -0.088 0.000 1.222 387 W CB 1.799 31.208 29.460 -0.084 0.000 1.381 387 W HN 0.279 nan 8.180 nan 0.000 0.483 388 P HA -0.127 nan 4.420 nan 0.000 0.262 388 P C 0.908 178.136 177.300 -0.120 0.000 1.182 388 P CA 0.335 63.343 63.100 -0.153 0.000 0.761 388 P CB 0.679 32.030 31.700 -0.583 0.000 0.795 389 V N 2.381 122.280 119.914 -0.026 0.000 2.490 389 V HA -0.286 3.836 4.120 0.003 0.000 0.250 389 V C 1.920 178.035 176.094 0.035 0.000 1.061 389 V CA 2.187 64.498 62.300 0.018 0.000 1.064 389 V CB -2.004 29.881 31.823 0.103 0.000 0.670 389 V HN 0.642 nan 8.190 nan 0.000 0.461 390 H N 0.072 119.192 119.070 0.084 0.000 2.387 390 H HA -0.114 4.444 4.556 0.003 0.000 0.299 390 H C 2.086 177.453 175.328 0.066 0.000 1.099 390 H CA 2.121 58.215 56.048 0.076 0.000 1.315 390 H CB -0.847 28.960 29.762 0.075 0.000 1.380 390 H HN 0.423 nan 8.280 nan 0.000 0.513 391 L N -0.663 120.531 121.223 -0.049 0.000 2.056 391 L HA -0.096 4.245 4.340 0.003 0.000 0.207 391 L C 1.982 178.834 176.870 -0.029 0.000 1.078 391 L CA 0.924 55.778 54.840 0.022 0.000 0.749 391 L CB -0.189 41.836 42.059 -0.057 0.000 0.901 391 L HN 0.325 nan 8.230 nan 0.000 0.433 392 L N -0.132 121.050 121.223 -0.068 0.000 2.156 392 L HA -0.170 4.171 4.340 0.003 0.000 0.208 392 L C 2.356 179.181 176.870 -0.074 0.000 1.095 392 L CA 1.518 56.289 54.840 -0.115 0.000 0.770 392 L CB -0.556 41.432 42.059 -0.118 0.000 0.914 392 L HN 0.245 nan 8.230 nan 0.000 0.439 393 E N -1.635 118.562 120.200 -0.003 0.000 2.208 393 E HA -0.152 4.200 4.350 0.003 0.000 0.193 393 E C 1.647 178.291 176.600 0.073 0.000 0.988 393 E CA 1.408 57.829 56.400 0.035 0.000 0.828 393 E CB 0.227 29.981 29.700 0.091 0.000 0.763 393 E HN 0.482 nan 8.360 nan 0.000 0.478 394 T N 0.701 115.316 114.554 0.102 0.000 2.939 394 T HA -0.039 4.313 4.350 0.003 0.000 0.254 394 T C 1.843 176.651 174.700 0.181 0.000 1.041 394 T CA 0.981 63.185 62.100 0.174 0.000 1.142 394 T CB -0.045 68.955 68.868 0.220 0.000 0.874 394 T HN 0.261 nan 8.240 nan 0.000 0.452 395 L N -1.163 120.066 121.223 0.010 0.000 2.463 395 L HA 0.437 4.779 4.340 0.003 0.000 0.219 395 L C 0.099 176.936 176.870 -0.056 0.000 1.088 395 L CA 0.473 55.219 54.840 -0.156 0.000 0.849 395 L CB 0.295 42.085 42.059 -0.448 0.000 1.012 395 L HN 0.008 nan 8.230 nan 0.000 0.468 396 L N 2.185 123.331 121.223 -0.130 0.000 2.732 396 L HA 0.421 4.763 4.340 0.003 0.000 0.246 396 L C -1.675 175.025 176.870 -0.283 0.000 1.407 396 L CA -1.760 52.928 54.840 -0.254 0.000 0.861 396 L CB 0.434 42.255 42.059 -0.396 0.000 1.161 396 L HN -0.029 nan 8.230 nan 0.000 0.510 397 P HA -0.225 nan 4.420 nan 0.000 0.215 397 P C 1.521 178.626 177.300 -0.324 0.000 1.153 397 P CA 1.177 64.160 63.100 -0.195 0.000 0.853 397 P CB 0.584 32.254 31.700 -0.050 0.000 0.788 398 R N -0.493 119.633 120.500 -0.622 0.000 2.092 398 R HA -0.136 4.206 4.340 0.003 0.000 0.231 398 R C 2.609 178.554 176.300 -0.592 0.000 1.119 398 R CA 1.514 57.236 56.100 -0.630 0.000 0.970 398 R CB -1.429 28.316 30.300 -0.925 0.000 0.864 398 R HN 0.279 nan 8.270 nan 0.000 0.440 399 H N -0.058 118.710 119.070 -0.503 0.000 2.353 399 H HA -0.104 4.454 4.556 0.003 0.000 0.300 399 H C 1.903 177.055 175.328 -0.293 0.000 1.090 399 H CA 1.582 57.406 56.048 -0.373 0.000 1.327 399 H CB -0.150 29.346 29.762 -0.443 0.000 1.383 399 H HN 0.183 nan 8.280 nan 0.000 0.508 400 L N 1.081 122.173 121.223 -0.218 0.000 2.083 400 L HA -0.204 4.138 4.340 0.003 0.000 0.209 400 L C 2.172 178.842 176.870 -0.334 0.000 1.083 400 L CA 1.307 55.954 54.840 -0.322 0.000 0.752 400 L CB -0.297 41.592 42.059 -0.283 0.000 0.899 400 L HN 0.348 nan 8.230 nan 0.000 0.433 401 Q N -0.381 119.327 119.800 -0.153 0.000 2.084 401 Q HA -0.210 4.131 4.340 0.003 0.000 0.202 401 Q C 2.175 178.197 176.000 0.036 0.000 0.978 401 Q CA 1.544 57.355 55.803 0.014 0.000 0.844 401 Q CB 0.000 28.759 28.738 0.034 0.000 0.898 401 Q HN 0.554 nan 8.270 nan 0.000 0.426 402 I N 0.195 120.754 120.570 -0.017 0.000 2.353 402 I HA -0.231 3.941 4.170 0.003 0.000 0.248 402 I C 2.067 178.231 176.117 0.079 0.000 1.119 402 I CA 0.846 62.199 61.300 0.088 0.000 1.417 402 I CB -0.116 37.899 38.000 0.026 0.000 1.078 402 I HN 0.191 nan 8.210 nan 0.000 0.421 403 I N -0.241 120.308 120.570 -0.036 0.000 2.286 403 I HA -0.302 3.870 4.170 0.003 0.000 0.248 403 I C 2.322 178.454 176.117 0.024 0.000 1.115 403 I CA 1.405 62.681 61.300 -0.039 0.000 1.392 403 I CB -0.328 37.587 38.000 -0.143 0.000 1.065 403 I HN 0.180 nan 8.210 nan 0.000 0.418 404 Y N 0.628 120.947 120.300 0.031 0.000 2.293 404 Y HA -0.199 4.353 4.550 0.003 0.000 0.291 404 Y C 2.565 178.453 175.900 -0.020 0.000 1.137 404 Y CA 1.050 59.157 58.100 0.011 0.000 1.202 404 Y CB -0.536 37.921 38.460 -0.006 0.000 0.990 404 Y HN 0.155 nan 8.280 nan 0.000 0.537 405 E N 0.389 120.668 120.200 0.130 0.000 2.076 405 E HA -0.076 4.276 4.350 0.003 0.000 0.190 405 E C 2.148 178.695 176.600 -0.087 0.000 0.979 405 E CA 0.876 57.232 56.400 -0.073 0.000 0.807 405 E CB -0.494 29.106 29.700 -0.167 0.000 0.761 405 E HN 0.431 nan 8.360 nan 0.000 0.454 406 I N 1.070 121.728 120.570 0.146 0.000 2.151 406 I HA -0.347 3.825 4.170 0.003 0.000 0.243 406 I C 2.260 178.413 176.117 0.060 0.000 1.080 406 I CA 1.604 62.935 61.300 0.053 0.000 1.339 406 I CB -0.418 37.562 38.000 -0.033 0.000 1.039 406 I HN 0.198 nan 8.210 nan 0.000 0.409 407 N N 0.621 119.396 118.700 0.125 0.000 2.120 407 N HA -0.261 4.481 4.740 0.003 0.000 0.188 407 N C 1.841 177.467 175.510 0.193 0.000 1.024 407 N CA 1.567 54.745 53.050 0.214 0.000 0.852 407 N CB -0.160 38.465 38.487 0.231 0.000 1.003 407 N HN 0.335 nan 8.380 nan 0.000 0.424 408 Q N 0.103 119.950 119.800 0.078 0.000 2.002 408 Q HA -0.154 4.188 4.340 0.003 0.000 0.204 408 Q C 2.083 178.084 176.000 0.001 0.000 0.988 408 Q CA 1.562 57.370 55.803 0.008 0.000 0.843 408 Q CB -0.050 28.642 28.738 -0.078 0.000 0.908 408 Q HN 0.394 nan 8.270 nan 0.000 0.420 409 R N -0.519 119.953 120.500 -0.048 0.000 2.091 409 R HA -0.170 4.172 4.340 0.003 0.000 0.238 409 R C 2.255 178.613 176.300 0.096 0.000 1.136 409 R CA 1.523 57.597 56.100 -0.042 0.000 0.959 409 R CB -0.560 29.642 30.300 -0.164 0.000 0.856 409 R HN 0.301 nan 8.270 nan 0.000 0.437 410 F N 1.605 121.560 119.950 0.009 0.000 2.095 410 F HA -0.152 4.377 4.527 0.003 0.000 0.298 410 F C 1.885 177.729 175.800 0.073 0.000 1.104 410 F CA 1.436 59.489 58.000 0.089 0.000 1.232 410 F CB -0.251 38.832 39.000 0.138 0.000 0.987 410 F HN -0.094 nan 8.300 nan 0.000 0.475 411 L N -0.133 121.102 121.223 0.020 0.000 2.275 411 L HA -0.194 4.148 4.340 0.003 0.000 0.215 411 L C 1.934 178.739 176.870 -0.108 0.000 1.119 411 L CA 1.339 56.114 54.840 -0.109 0.000 0.790 411 L CB -0.799 41.272 42.059 0.019 0.000 0.919 411 L HN 0.273 nan 8.230 nan 0.000 0.443 412 N N -0.312 118.353 118.700 -0.058 0.000 2.171 412 N HA -0.119 4.623 4.740 0.003 0.000 0.184 412 N C 1.882 177.354 175.510 -0.063 0.000 1.021 412 N CA 0.601 53.620 53.050 -0.051 0.000 0.854 412 N CB 0.070 38.536 38.487 -0.035 0.000 0.994 412 N HN 0.214 nan 8.380 nan 0.000 0.426 413 R N 0.635 121.096 120.500 -0.064 0.000 2.096 413 R HA -0.122 4.220 4.340 0.003 0.000 0.240 413 R C 2.126 178.361 176.300 -0.108 0.000 1.139 413 R CA 1.276 57.342 56.100 -0.058 0.000 0.952 413 R CB -0.642 29.652 30.300 -0.009 0.000 0.854 413 R HN 0.126 nan 8.270 nan 0.000 0.436 414 V N 0.850 120.624 119.914 -0.234 0.000 2.407 414 V HA -0.226 3.896 4.120 0.003 0.000 0.248 414 V C 2.431 178.517 176.094 -0.013 0.000 1.055 414 V CA 1.909 64.118 62.300 -0.152 0.000 1.049 414 V CB -0.737 30.873 31.823 -0.354 0.000 0.662 414 V HN 0.415 nan 8.190 nan 0.000 0.455 415 A N -0.014 122.776 122.820 -0.051 0.000 1.969 415 A HA 0.012 4.334 4.320 0.003 0.000 0.218 415 A C 2.417 179.992 177.584 -0.016 0.000 1.169 415 A CA 1.725 53.755 52.037 -0.013 0.000 0.635 415 A CB -0.616 18.366 19.000 -0.030 0.000 0.810 415 A HN 0.545 nan 8.150 nan 0.000 0.445 416 A N -0.076 122.721 122.820 -0.038 0.000 1.902 416 A HA 0.181 4.502 4.320 0.003 0.000 0.217 416 A C 2.430 179.959 177.584 -0.092 0.000 1.181 416 A CA 1.957 53.964 52.037 -0.051 0.000 0.623 416 A CB -0.849 18.126 19.000 -0.042 0.000 0.818 416 A HN 1.011 nan 8.150 nan 0.000 0.443 417 A N -2.240 120.505 122.820 -0.125 0.000 2.016 417 A HA 0.341 4.663 4.320 0.003 0.000 0.217 417 A C 0.515 177.769 177.584 -0.551 0.000 1.162 417 A CA 0.618 52.456 52.037 -0.332 0.000 0.662 417 A CB -0.209 18.577 19.000 -0.357 0.000 0.812 417 A HN 0.426 nan 8.150 nan 0.000 0.450 418 F N -0.366 119.542 119.950 -0.070 0.000 2.646 418 F HA 0.323 4.852 4.527 0.003 0.000 0.336 418 F C -2.845 172.921 175.800 -0.056 0.000 1.437 418 F CA -2.589 55.373 58.000 -0.064 0.000 1.142 418 F CB 1.051 40.002 39.000 -0.080 0.000 1.530 418 F HN -0.056 nan 8.300 nan 0.000 0.591 419 P HA 0.285 nan 4.420 nan 0.000 0.271 419 P C 0.950 178.271 177.300 0.035 0.000 1.226 419 P CA 0.792 63.908 63.100 0.026 0.000 0.765 419 P CB 1.074 32.769 31.700 -0.008 0.000 0.835 420 G N 2.822 111.637 108.800 0.024 0.000 2.284 420 G HA2 -0.242 3.720 3.960 0.003 0.000 0.247 420 G HA3 -0.242 3.720 3.960 0.003 0.000 0.247 420 G C 0.351 175.263 174.900 0.020 0.000 1.012 420 G CA -0.018 45.093 45.100 0.018 0.000 0.618 420 G HN 0.593 nan 8.290 nan 0.000 0.521 421 D N 1.306 121.728 120.400 0.037 0.000 2.508 421 D HA 0.485 5.127 4.640 0.003 0.000 0.224 421 D C 1.638 177.923 176.300 -0.025 0.000 1.171 421 D CA 0.146 54.148 54.000 0.003 0.000 1.006 421 D CB 0.656 41.450 40.800 -0.010 0.000 1.073 421 D HN 0.085 nan 8.370 nan 0.000 0.513 422 V N 2.709 122.612 119.914 -0.018 0.000 2.427 422 V HA -0.195 3.927 4.120 0.003 0.000 0.248 422 V C 1.987 178.065 176.094 -0.027 0.000 1.051 422 V CA 1.505 63.793 62.300 -0.020 0.000 1.048 422 V CB -0.218 31.599 31.823 -0.010 0.000 0.666 422 V HN 0.466 nan 8.190 nan 0.000 0.456 423 D N 0.102 120.483 120.400 -0.032 0.000 2.149 423 D HA -0.230 4.412 4.640 0.003 0.000 0.198 423 D C 2.306 178.574 176.300 -0.053 0.000 0.990 423 D CA 1.444 55.425 54.000 -0.031 0.000 0.839 423 D CB -0.143 40.637 40.800 -0.032 0.000 0.948 423 D HN 0.339 nan 8.370 nan 0.000 0.460 424 R N -0.314 120.127 120.500 -0.098 0.000 2.081 424 R HA -0.061 4.281 4.340 0.003 0.000 0.235 424 R C 2.443 178.672 176.300 -0.117 0.000 1.131 424 R CA 0.960 56.964 56.100 -0.160 0.000 0.960 424 R CB -0.228 29.908 30.300 -0.273 0.000 0.856 424 R HN 0.241 nan 8.270 nan 0.000 0.436 425 L N 0.789 121.965 121.223 -0.078 0.000 2.017 425 L HA -0.171 4.171 4.340 0.003 0.000 0.208 425 L C 2.582 179.458 176.870 0.011 0.000 1.073 425 L CA 1.545 56.357 54.840 -0.047 0.000 0.745 425 L CB -0.541 41.499 42.059 -0.031 0.000 0.894 425 L HN 0.250 nan 8.230 nan 0.000 0.432 426 R N 0.346 120.857 120.500 0.017 0.000 2.189 426 R HA -0.096 4.246 4.340 0.003 0.000 0.218 426 R C 1.960 178.311 176.300 0.086 0.000 1.074 426 R CA 1.071 57.203 56.100 0.054 0.000 0.991 426 R CB -0.832 29.491 30.300 0.038 0.000 0.883 426 R HN 0.230 nan 8.270 nan 0.000 0.457 427 R N -0.147 120.387 120.500 0.057 0.000 2.127 427 R HA 0.228 4.570 4.340 0.003 0.000 0.217 427 R C 1.852 178.249 176.300 0.160 0.000 1.074 427 R CA 1.425 57.582 56.100 0.096 0.000 0.991 427 R CB -0.062 30.255 30.300 0.029 0.000 0.895 427 R HN 0.305 nan 8.270 nan 0.000 0.450 428 M N -0.213 119.433 119.600 0.076 0.000 2.492 428 M HA 0.069 4.551 4.480 0.003 0.000 0.255 428 M C 0.919 177.466 176.300 0.413 0.000 1.139 428 M CA -0.007 55.333 55.300 0.066 0.000 1.096 428 M CB 0.473 32.924 32.600 -0.249 0.000 1.360 428 M HN -0.098 nan 8.290 nan 0.000 0.480 429 S N 1.161 117.077 115.700 0.360 0.000 2.559 429 S HA 0.036 4.508 4.470 0.003 0.000 0.282 429 S C 1.086 175.986 174.600 0.500 0.000 1.336 429 S CA -0.096 58.341 58.200 0.395 0.000 1.037 429 S CB 0.542 63.891 63.200 0.248 0.000 0.853 429 S HN 0.374 nan 8.310 nan 0.000 0.523 430 L N 3.348 124.802 121.223 0.384 0.000 2.492 430 L HA 0.176 4.518 4.340 0.003 0.000 0.223 430 L C -0.001 176.978 176.870 0.182 0.000 1.132 430 L CA 0.048 55.056 54.840 0.281 0.000 0.850 430 L CB -0.314 41.854 42.059 0.182 0.000 0.966 430 L HN 0.347 nan 8.230 nan 0.000 0.454 431 V N 0.637 120.675 119.914 0.206 0.000 2.350 431 V HA 0.217 4.339 4.120 0.003 0.000 0.276 431 V C 0.040 176.218 176.094 0.140 0.000 1.028 431 V CA -0.625 61.779 62.300 0.173 0.000 0.860 431 V CB 1.353 33.307 31.823 0.217 0.000 0.990 431 V HN 0.162 nan 8.190 nan 0.000 0.453 432 E N 3.960 124.220 120.200 0.100 0.000 2.174 432 E HA 0.358 4.709 4.350 0.003 0.000 0.282 432 E C -0.410 176.233 176.600 0.072 0.000 0.992 432 E CA -0.556 55.891 56.400 0.078 0.000 0.803 432 E CB 1.567 31.292 29.700 0.042 0.000 1.090 432 E HN 0.619 nan 8.360 nan 0.000 0.396 433 E N 1.020 121.261 120.200 0.068 0.000 2.330 433 E HA 0.612 4.964 4.350 0.003 0.000 0.256 433 E C 0.503 177.132 176.600 0.048 0.000 1.146 433 E CA -0.514 55.921 56.400 0.059 0.000 0.945 433 E CB 1.437 31.169 29.700 0.053 0.000 1.182 433 E HN 0.732 nan 8.360 nan 0.000 0.480 434 G N -0.635 108.192 108.800 0.045 0.000 2.291 434 G HA2 0.233 4.195 3.960 0.003 0.000 0.249 434 G HA3 0.233 4.195 3.960 0.003 0.000 0.249 434 G C -1.446 173.478 174.900 0.041 0.000 1.340 434 G CA -0.329 44.793 45.100 0.037 0.000 1.017 434 G HN 0.556 nan 8.290 nan 0.000 0.470 435 A N -0.281 122.562 122.820 0.038 0.000 2.527 435 A HA 0.821 5.143 4.320 0.003 0.000 0.313 435 A C 0.553 178.171 177.584 0.056 0.000 1.410 435 A CA 0.623 52.686 52.037 0.043 0.000 1.060 435 A CB -0.269 18.752 19.000 0.036 0.000 1.137 435 A HN 2.437 nan 8.150 nan 0.000 0.542 436 V N 1.611 121.569 119.914 0.073 0.000 3.231 436 V HA -0.142 3.980 4.120 0.003 0.000 0.466 436 V C 0.113 176.252 176.094 0.076 0.000 0.682 436 V CA 0.423 62.783 62.300 0.099 0.000 2.006 436 V CB -0.287 31.607 31.823 0.118 0.000 2.469 436 V HN 1.112 nan 8.190 nan 0.000 0.497 437 K N 6.274 126.728 120.400 0.091 0.000 2.218 437 K HA 0.714 5.036 4.320 0.003 0.000 0.276 437 K C -0.071 176.572 176.600 0.072 0.000 1.022 437 K CA -0.657 55.681 56.287 0.087 0.000 0.946 437 K CB 0.901 33.466 32.500 0.108 0.000 1.000 437 K HN 0.667 nan 8.250 nan 0.000 0.468 438 R N 2.770 123.306 120.500 0.061 0.000 2.808 438 R HA 0.471 4.813 4.340 0.003 0.000 0.272 438 R C -0.931 175.396 176.300 0.045 0.000 0.995 438 R CA -0.936 55.185 56.100 0.035 0.000 0.917 438 R CB 1.373 31.671 30.300 -0.003 0.000 1.217 438 R HN 0.444 nan 8.270 nan 0.000 0.471 439 I N 2.066 122.661 120.570 0.041 0.000 2.339 439 I HA 0.177 4.349 4.170 0.003 0.000 0.290 439 I C -0.348 175.762 176.117 -0.012 0.000 0.994 439 I CA -0.694 60.628 61.300 0.037 0.000 1.191 439 I CB 1.322 39.353 38.000 0.051 0.000 1.343 439 I HN 0.513 nan 8.210 nan 0.000 0.458 440 N N 7.254 125.914 118.700 -0.067 0.000 2.415 440 N HA 0.111 4.853 4.740 0.003 0.000 0.246 440 N C 0.766 176.178 175.510 -0.163 0.000 1.078 440 N CA -0.331 52.607 53.050 -0.187 0.000 0.942 440 N CB 0.998 39.236 38.487 -0.415 0.000 1.140 440 N HN 0.391 nan 8.380 nan 0.000 0.501 441 M N 2.276 121.805 119.600 -0.119 0.000 2.394 441 M HA -0.027 4.455 4.480 0.003 0.000 0.264 441 M C 1.792 177.986 176.300 -0.175 0.000 1.073 441 M CA 0.507 55.760 55.300 -0.079 0.000 1.111 441 M CB -1.271 31.335 32.600 0.010 0.000 1.401 441 M HN 0.602 nan 8.290 nan 0.000 0.448 442 A N -1.000 121.702 122.820 -0.197 0.000 2.014 442 A HA -0.136 4.186 4.320 0.003 0.000 0.218 442 A C 1.901 179.270 177.584 -0.359 0.000 1.163 442 A CA 1.151 53.033 52.037 -0.258 0.000 0.652 442 A CB -0.958 18.069 19.000 0.044 0.000 0.808 442 A HN 0.575 nan 8.150 nan 0.000 0.449 443 H N -1.335 117.527 119.070 -0.346 0.000 2.436 443 H HA 0.089 4.647 4.556 0.003 0.000 0.294 443 H C 2.048 177.164 175.328 -0.354 0.000 1.048 443 H CA 0.647 56.449 56.048 -0.410 0.000 1.353 443 H CB 0.095 29.807 29.762 -0.083 0.000 1.414 443 H HN 0.341 nan 8.280 nan 0.000 0.536 444 L N 0.392 121.535 121.223 -0.134 0.000 2.005 444 L HA -0.202 4.140 4.340 0.003 0.000 0.207 444 L C 2.179 178.927 176.870 -0.203 0.000 1.072 444 L CA 1.343 56.111 54.840 -0.121 0.000 0.744 444 L CB -0.412 41.605 42.059 -0.069 0.000 0.895 444 L HN 0.444 nan 8.230 nan 0.000 0.433 445 C N 0.095 119.175 119.300 -0.367 0.000 2.425 445 C HA -0.166 4.296 4.460 0.003 0.000 0.277 445 C C 2.697 177.427 174.990 -0.433 0.000 1.280 445 C CA 0.454 59.172 59.018 -0.499 0.000 1.744 445 C CB -0.843 26.241 27.740 -1.094 0.000 1.989 445 C HN 0.498 nan 8.230 nan 0.000 0.491 446 I N 1.530 121.814 120.570 -0.477 0.000 2.286 446 I HA -0.140 4.032 4.170 0.003 0.000 0.245 446 I C 2.794 178.812 176.117 -0.165 0.000 1.104 446 I CA 1.471 62.567 61.300 -0.340 0.000 1.397 446 I CB -0.634 37.028 38.000 -0.564 0.000 1.072 446 I HN 0.245 nan 8.210 nan 0.000 0.417 447 A N 0.829 123.521 122.820 -0.214 0.000 1.933 447 A HA -0.090 4.232 4.320 0.003 0.000 0.218 447 A C 2.234 179.887 177.584 0.115 0.000 1.175 447 A CA 1.874 53.822 52.037 -0.149 0.000 0.628 447 A CB -1.124 17.583 19.000 -0.489 0.000 0.814 447 A HN 0.472 nan 8.150 nan 0.000 0.444 448 G N -1.208 107.611 108.800 0.031 0.000 3.189 448 G HA2 0.391 4.353 3.960 0.003 0.000 0.225 448 G HA3 0.391 4.353 3.960 0.003 0.000 0.225 448 G C 0.188 174.961 174.900 -0.210 0.000 1.159 448 G CA 0.445 45.469 45.100 -0.127 0.000 0.763 448 G HN 0.346 nan 8.290 nan 0.000 0.549 449 S N -0.746 114.881 115.700 -0.123 0.000 2.537 449 S HA 0.349 4.821 4.470 0.003 0.000 0.301 449 S C 0.692 175.274 174.600 -0.030 0.000 1.092 449 S CA -0.600 57.549 58.200 -0.086 0.000 1.048 449 S CB 1.310 64.459 63.200 -0.084 0.000 1.053 449 S HN 0.616 nan 8.310 nan 0.000 0.501 450 H N -0.072 118.966 119.070 -0.052 0.000 2.551 450 H HA 0.651 5.209 4.556 0.003 0.000 0.266 450 H C 0.202 175.509 175.328 -0.035 0.000 0.977 450 H CA 0.407 56.445 56.048 -0.016 0.000 1.163 450 H CB 0.230 30.003 29.762 0.018 0.000 1.381 450 H HN 0.497 nan 8.280 nan 0.000 0.581 451 A N 0.634 123.241 122.820 -0.354 0.000 2.488 451 A HA 0.587 4.909 4.320 0.003 0.000 0.298 451 A C -1.579 175.813 177.584 -0.320 0.000 1.044 451 A CA -0.689 51.151 52.037 -0.327 0.000 0.693 451 A CB 1.793 20.584 19.000 -0.348 0.000 1.272 451 A HN 0.135 nan 8.150 nan 0.000 0.402 452 V N 4.025 123.689 119.914 -0.418 0.000 2.531 452 V HA 0.561 4.682 4.120 0.003 0.000 0.301 452 V C -0.671 175.208 176.094 -0.358 0.000 1.034 452 V CA -0.726 61.315 62.300 -0.432 0.000 0.865 452 V CB 1.841 33.233 31.823 -0.718 0.000 0.995 452 V HN 1.020 nan 8.190 nan 0.000 0.424 453 N N 3.052 121.578 118.700 -0.291 0.000 2.229 453 N HA 0.599 5.340 4.740 0.003 0.000 0.298 453 N C -0.286 175.108 175.510 -0.192 0.000 1.114 453 N CA -0.401 52.521 53.050 -0.214 0.000 0.776 453 N CB 2.901 41.249 38.487 -0.233 0.000 1.501 453 N HN 0.638 nan 8.380 nan 0.000 0.474 454 G N -0.453 108.270 108.800 -0.128 0.000 2.535 454 G HA2 0.395 4.357 3.960 0.003 0.000 0.303 454 G HA3 0.395 4.357 3.960 0.003 0.000 0.303 454 G C 0.012 174.958 174.900 0.076 0.000 1.237 454 G CA -0.557 44.515 45.100 -0.047 0.000 0.986 454 G HN 0.373 nan 8.290 nan 0.000 0.494 455 V N -0.146 119.940 119.914 0.287 0.000 3.528 455 V HA 0.581 4.703 4.120 0.003 0.000 0.294 455 V C 0.713 176.888 176.094 0.135 0.000 1.404 455 V CA 0.986 63.376 62.300 0.150 0.000 1.065 455 V CB -0.309 31.547 31.823 0.055 0.000 0.904 455 V HN 1.085 nan 8.190 nan 0.000 0.435 456 A N -0.718 122.193 122.820 0.151 0.000 2.594 456 A HA 0.514 4.836 4.320 0.003 0.000 0.296 456 A C 0.583 178.220 177.584 0.088 0.000 1.056 456 A CA -0.304 51.799 52.037 0.109 0.000 0.693 456 A CB 0.883 19.937 19.000 0.090 0.000 1.278 456 A HN 0.029 nan 8.150 nan 0.000 0.408 457 R N 0.919 121.449 120.500 0.050 0.000 2.103 457 R HA -0.197 4.145 4.340 0.003 0.000 0.242 457 R C 1.700 178.006 176.300 0.010 0.000 1.142 457 R CA 2.549 58.660 56.100 0.018 0.000 0.960 457 R CB -0.557 29.750 30.300 0.011 0.000 0.858 457 R HN 0.900 nan 8.270 nan 0.000 0.439 458 I N -2.404 118.179 120.570 0.021 0.000 2.546 458 I HA -0.116 4.056 4.170 0.003 0.000 0.255 458 I C 2.246 178.374 176.117 0.019 0.000 1.163 458 I CA 1.504 62.807 61.300 0.006 0.000 1.457 458 I CB -0.561 37.439 38.000 -0.001 0.000 1.092 458 I HN 0.146 nan 8.210 nan 0.000 0.434 459 H N 1.769 120.814 119.070 -0.042 0.000 2.326 459 H HA -0.036 4.522 4.556 0.003 0.000 0.301 459 H C 2.171 177.468 175.328 -0.051 0.000 1.081 459 H CA 2.146 58.164 56.048 -0.050 0.000 1.334 459 H CB -0.273 29.465 29.762 -0.040 0.000 1.385 459 H HN 0.279 nan 8.280 nan 0.000 0.504 460 S N 0.429 116.016 115.700 -0.188 0.000 2.423 460 S HA -0.096 4.376 4.470 0.003 0.000 0.231 460 S C 1.843 176.342 174.600 -0.169 0.000 1.014 460 S CA 0.924 58.992 58.200 -0.220 0.000 0.965 460 S CB -0.025 63.119 63.200 -0.093 0.000 0.785 460 S HN 0.447 nan 8.310 nan 0.000 0.495 461 E N 1.675 121.797 120.200 -0.131 0.000 2.047 461 E HA -0.088 4.264 4.350 0.003 0.000 0.191 461 E C 2.136 178.632 176.600 -0.174 0.000 0.987 461 E CA 0.936 57.252 56.400 -0.140 0.000 0.799 461 E CB -0.467 29.178 29.700 -0.092 0.000 0.752 461 E HN 0.758 nan 8.360 nan 0.000 0.449 462 I N -1.770 118.706 120.570 -0.156 0.000 2.614 462 I HA -0.146 4.026 4.170 0.003 0.000 0.258 462 I C 2.196 178.185 176.117 -0.213 0.000 1.189 462 I CA 0.856 62.061 61.300 -0.157 0.000 1.462 462 I CB -0.303 37.630 38.000 -0.111 0.000 1.092 462 I HN -0.062 nan 8.210 nan 0.000 0.442 463 L N 1.056 122.124 121.223 -0.257 0.000 2.027 463 L HA -0.107 4.235 4.340 0.003 0.000 0.206 463 L C 2.619 179.378 176.870 -0.185 0.000 1.074 463 L CA 1.580 56.268 54.840 -0.253 0.000 0.745 463 L CB -0.507 41.448 42.059 -0.173 0.000 0.898 463 L HN 0.181 nan 8.230 nan 0.000 0.433 464 K N -0.036 120.200 120.400 -0.273 0.000 2.280 464 K HA -0.144 4.178 4.320 0.003 0.000 0.202 464 K C 1.942 178.257 176.600 -0.476 0.000 1.047 464 K CA 1.030 56.959 56.287 -0.597 0.000 0.942 464 K CB 0.041 31.956 32.500 -0.975 0.000 0.739 464 K HN 0.263 nan 8.250 nan 0.000 0.457 465 K N -0.505 119.716 120.400 -0.298 0.000 2.276 465 K HA 0.015 4.337 4.320 0.003 0.000 0.198 465 K C 1.789 178.309 176.600 -0.133 0.000 1.052 465 K CA 1.375 57.542 56.287 -0.199 0.000 0.984 465 K CB 0.626 33.032 32.500 -0.156 0.000 0.836 465 K HN 0.263 nan 8.250 nan 0.000 0.490 466 T N -1.487 112.984 114.554 -0.139 0.000 3.364 466 T HA 0.064 4.416 4.350 0.003 0.000 0.179 466 T C 1.736 176.369 174.700 -0.111 0.000 0.939 466 T CA -0.204 61.833 62.100 -0.105 0.000 1.094 466 T CB -0.581 68.224 68.868 -0.105 0.000 1.532 466 T HN -0.139 nan 8.240 nan 0.000 0.346 467 I N 1.507 121.945 120.570 -0.219 0.000 2.185 467 I HA -0.025 4.147 4.170 0.003 0.000 0.246 467 I C 1.278 177.273 176.117 -0.203 0.000 1.088 467 I CA 1.668 62.759 61.300 -0.348 0.000 1.347 467 I CB -0.803 36.693 38.000 -0.840 0.000 1.041 467 I HN 0.288 nan 8.210 nan 0.000 0.415 468 F N 0.686 120.693 119.950 0.094 0.000 2.791 468 F HA 0.249 4.778 4.527 0.003 0.000 0.316 468 F C 1.768 177.635 175.800 0.111 0.000 1.134 468 F CA -1.103 57.020 58.000 0.205 0.000 1.222 468 F CB -0.662 38.497 39.000 0.265 0.000 1.034 468 F HN 0.073 nan 8.300 nan 0.000 0.516 469 K N -0.308 120.176 120.400 0.140 0.000 2.147 469 K HA -0.151 4.171 4.320 0.003 0.000 0.205 469 K C 0.901 177.544 176.600 0.072 0.000 1.049 469 K CA 1.916 58.224 56.287 0.035 0.000 0.936 469 K CB -0.180 32.309 32.500 -0.018 0.000 0.722 469 K HN 0.037 nan 8.250 nan 0.000 0.446 470 D N 0.630 121.063 120.400 0.054 0.000 2.117 470 D HA -0.130 4.512 4.640 0.003 0.000 0.197 470 D C 1.817 177.983 176.300 -0.223 0.000 0.987 470 D CA 1.186 55.092 54.000 -0.157 0.000 0.829 470 D CB -0.246 40.380 40.800 -0.290 0.000 0.961 470 D HN 0.240 nan 8.370 nan 0.000 0.460 471 F N 0.040 120.039 119.950 0.082 0.000 2.146 471 F HA -0.139 4.390 4.527 0.003 0.000 0.298 471 F C 2.387 178.240 175.800 0.088 0.000 1.096 471 F CA 0.569 58.679 58.000 0.183 0.000 1.275 471 F CB -0.893 38.304 39.000 0.327 0.000 1.008 471 F HN -0.028 nan 8.300 nan 0.000 0.480 472 Y N 1.281 121.402 120.300 -0.298 0.000 2.207 472 Y HA -0.231 4.321 4.550 0.003 0.000 0.287 472 Y C 2.163 177.974 175.900 -0.148 0.000 1.156 472 Y CA 1.806 59.539 58.100 -0.611 0.000 1.182 472 Y CB -0.561 37.465 38.460 -0.724 0.000 0.979 472 Y HN 0.148 nan 8.280 nan 0.000 0.521 473 E N -0.249 119.964 120.200 0.022 0.000 2.153 473 E HA -0.199 4.153 4.350 0.003 0.000 0.194 473 E C 2.135 178.817 176.600 0.137 0.000 0.988 473 E CA 0.988 57.407 56.400 0.031 0.000 0.811 473 E CB -0.198 29.541 29.700 0.065 0.000 0.746 473 E HN 0.430 nan 8.360 nan 0.000 0.466 474 L N 0.566 121.885 121.223 0.159 0.000 2.179 474 L HA -0.004 4.338 4.340 0.003 0.000 0.208 474 L C -0.081 176.904 176.870 0.190 0.000 1.096 474 L CA 1.493 56.474 54.840 0.234 0.000 0.779 474 L CB 0.169 42.337 42.059 0.183 0.000 0.922 474 L HN 0.003 nan 8.230 nan 0.000 0.443 475 E N -1.057 119.251 120.200 0.181 0.000 3.011 475 E HA 0.166 4.518 4.350 0.003 0.000 0.315 475 E C -2.093 174.529 176.600 0.036 0.000 1.176 475 E CA -1.065 55.429 56.400 0.157 0.000 0.819 475 E CB 1.325 31.116 29.700 0.153 0.000 1.508 475 E HN 0.070 nan 8.360 nan 0.000 0.381 476 P HA -0.236 nan 4.420 nan 0.000 0.217 476 P C 1.261 178.611 177.300 0.083 0.000 1.150 476 P CA 1.102 64.031 63.100 -0.286 0.000 0.832 476 P CB 0.029 31.444 31.700 -0.476 0.000 0.787 477 H N 0.174 119.312 119.070 0.114 0.000 2.457 477 H HA -0.031 4.527 4.556 0.003 0.000 0.297 477 H C 1.398 176.826 175.328 0.167 0.000 1.092 477 H CA 1.204 57.331 56.048 0.131 0.000 1.309 477 H CB -0.780 29.032 29.762 0.085 0.000 1.382 477 H HN 0.129 nan 8.280 nan 0.000 0.535 478 K N 0.166 120.288 120.400 -0.463 0.000 2.147 478 K HA -0.033 4.289 4.320 0.003 0.000 0.205 478 K C -0.049 176.399 176.600 -0.252 0.000 1.049 478 K CA 0.481 56.574 56.287 -0.322 0.000 0.936 478 K CB -0.038 32.202 32.500 -0.433 0.000 0.722 478 K HN 0.109 nan 8.250 nan 0.000 0.446 479 F N 1.545 121.509 119.950 0.024 0.000 2.410 479 F HA 0.163 4.692 4.527 0.003 0.000 0.348 479 F C 0.540 176.362 175.800 0.037 0.000 1.106 479 F CA -0.074 57.973 58.000 0.078 0.000 1.163 479 F CB 1.004 40.147 39.000 0.238 0.000 1.129 479 F HN -0.053 nan 8.300 nan 0.000 0.516 480 Q N 1.502 121.326 119.800 0.040 0.000 2.831 480 Q HA 0.375 4.717 4.340 0.003 0.000 0.322 480 Q C -1.384 174.581 176.000 -0.058 0.000 0.923 480 Q CA -1.285 54.508 55.803 -0.015 0.000 0.767 480 Q CB 2.918 31.595 28.738 -0.102 0.000 1.469 480 Q HN 0.644 nan 8.270 nan 0.000 0.496 481 N N 0.152 118.800 118.700 -0.086 0.000 2.265 481 N HA 0.341 5.082 4.740 0.003 0.000 0.300 481 N C -1.482 173.931 175.510 -0.161 0.000 1.148 481 N CA -0.445 52.550 53.050 -0.091 0.000 0.772 481 N CB 1.324 39.783 38.487 -0.046 0.000 1.434 481 N HN 0.299 nan 8.380 nan 0.000 0.481 482 K N 2.350 122.662 120.400 -0.146 0.000 2.832 482 K HA 0.151 4.473 4.320 0.003 0.000 0.243 482 K C -1.201 175.393 176.600 -0.010 0.000 1.117 482 K CA -0.446 55.718 56.287 -0.204 0.000 1.068 482 K CB 1.097 33.245 32.500 -0.587 0.000 1.286 482 K HN 0.571 nan 8.250 nan 0.000 0.553 483 T N 2.571 117.145 114.554 0.033 0.000 2.871 483 T HA 0.058 4.410 4.350 0.003 0.000 0.296 483 T C 0.745 175.567 174.700 0.204 0.000 0.998 483 T CA 0.118 62.292 62.100 0.124 0.000 1.162 483 T CB 0.136 69.085 68.868 0.136 0.000 0.947 483 T HN 0.231 nan 8.240 nan 0.000 0.536 484 N N 1.521 120.372 118.700 0.252 0.000 2.273 484 N HA 0.295 5.037 4.740 0.003 0.000 0.227 484 N C 0.596 176.304 175.510 0.330 0.000 1.292 484 N CA 0.372 53.617 53.050 0.325 0.000 0.875 484 N CB 0.398 39.024 38.487 0.232 0.000 1.105 484 N HN 0.851 nan 8.380 nan 0.000 0.434 485 G N -0.868 108.151 108.800 0.366 0.000 2.788 485 G HA2 0.709 4.671 3.960 0.003 0.000 0.293 485 G HA3 0.709 4.671 3.960 0.003 0.000 0.293 485 G C -1.356 173.710 174.900 0.278 0.000 1.392 485 G CA -0.318 44.969 45.100 0.312 0.000 0.810 485 G HN 0.411 nan 8.290 nan 0.000 0.508 486 I N -0.427 120.290 120.570 0.244 0.000 2.686 486 I HA 0.488 4.660 4.170 0.003 0.000 0.295 486 I C 0.062 176.348 176.117 0.283 0.000 1.114 486 I CA -0.465 60.974 61.300 0.231 0.000 1.038 486 I CB 2.685 40.738 38.000 0.089 0.000 1.238 486 I HN 0.471 nan 8.210 nan 0.000 0.420 487 T N 7.313 122.085 114.554 0.364 0.000 2.749 487 T HA 0.351 4.702 4.350 0.003 0.000 0.295 487 T C -1.662 173.148 174.700 0.183 0.000 0.936 487 T CA -1.626 60.599 62.100 0.208 0.000 1.060 487 T CB 0.905 69.845 68.868 0.120 0.000 0.904 487 T HN 0.418 nan 8.240 nan 0.000 0.500 488 P HA 0.017 nan 4.420 nan 0.000 0.234 488 P C 0.989 178.243 177.300 -0.077 0.000 1.167 488 P CA 0.307 63.435 63.100 0.047 0.000 0.763 488 P CB 0.431 32.145 31.700 0.023 0.000 0.835 489 R N 0.500 120.908 120.500 -0.152 0.000 2.051 489 R HA 0.031 4.373 4.340 0.003 0.000 0.225 489 R C 2.728 178.895 176.300 -0.222 0.000 1.155 489 R CA 1.469 57.429 56.100 -0.232 0.000 0.945 489 R CB -1.240 28.932 30.300 -0.213 0.000 0.840 489 R HN 0.020 nan 8.270 nan 0.000 0.432 490 R N -0.736 119.574 120.500 -0.316 0.000 2.073 490 R HA -0.125 4.217 4.340 0.003 0.000 0.234 490 R C 1.260 177.217 176.300 -0.572 0.000 1.134 490 R CA 1.800 57.555 56.100 -0.575 0.000 0.952 490 R CB -0.287 29.459 30.300 -0.924 0.000 0.850 490 R HN 0.306 nan 8.270 nan 0.000 0.433 491 W N -0.273 120.979 121.300 -0.081 0.000 3.345 491 W HA 0.204 4.866 4.660 0.004 0.000 0.282 491 W C 1.366 177.849 176.519 -0.060 0.000 1.302 491 W CA -0.476 56.821 57.345 -0.080 0.000 1.724 491 W CB 0.397 29.819 29.460 -0.063 0.000 1.104 491 W HN 0.215 nan 8.180 nan 0.000 0.694 492 L N -2.380 118.898 121.223 0.092 0.000 2.681 492 L HA -0.013 4.329 4.340 0.003 0.000 0.163 492 L C 1.921 178.804 176.870 0.023 0.000 1.188 492 L CA 0.248 55.137 54.840 0.082 0.000 0.944 492 L CB -0.692 41.446 42.059 0.132 0.000 1.835 492 L HN -0.343 nan 8.230 nan 0.000 0.510 493 V N 1.239 121.138 119.914 -0.025 0.000 2.332 493 V HA -0.323 3.799 4.120 0.003 0.000 0.248 493 V C 2.259 178.319 176.094 -0.057 0.000 1.055 493 V CA 2.385 64.658 62.300 -0.045 0.000 1.038 493 V CB -0.453 31.296 31.823 -0.123 0.000 0.651 493 V HN 0.400 nan 8.190 nan 0.000 0.450 494 L N 0.398 121.559 121.223 -0.104 0.000 2.049 494 L HA -0.129 4.213 4.340 0.003 0.000 0.203 494 L C 2.489 179.289 176.870 -0.116 0.000 1.074 494 L CA 2.244 57.006 54.840 -0.130 0.000 0.749 494 L CB -0.330 41.604 42.059 -0.209 0.000 0.907 494 L HN 0.621 nan 8.230 nan 0.000 0.439 495 C N -1.723 117.505 119.300 -0.120 0.000 2.514 495 C HA 0.200 4.662 4.460 0.003 0.000 0.271 495 C C 1.176 176.144 174.990 -0.038 0.000 1.399 495 C CA -0.330 58.636 59.018 -0.087 0.000 1.765 495 C CB -1.091 26.607 27.740 -0.070 0.000 1.893 495 C HN 0.573 nan 8.230 nan 0.000 0.531 496 N N 1.336 120.026 118.700 -0.017 0.000 2.791 496 N HA 0.284 5.026 4.740 0.003 0.000 0.265 496 N C -1.720 173.795 175.510 0.009 0.000 1.580 496 N CA -1.544 51.507 53.050 0.001 0.000 0.809 496 N CB 0.970 39.467 38.487 0.018 0.000 1.178 496 N HN 0.293 nan 8.380 nan 0.000 0.499 497 P HA -0.040 nan 4.420 nan 0.000 0.218 497 P C 1.356 178.665 177.300 0.016 0.000 1.149 497 P CA 0.831 63.935 63.100 0.008 0.000 0.817 497 P CB 0.372 32.068 31.700 -0.006 0.000 0.785 498 G N 0.950 109.754 108.800 0.008 0.000 2.459 498 G HA2 -0.251 3.711 3.960 0.003 0.000 0.217 498 G HA3 -0.251 3.711 3.960 0.003 0.000 0.217 498 G C 1.552 176.458 174.900 0.010 0.000 1.183 498 G CA 0.774 45.877 45.100 0.005 0.000 0.776 498 G HN 0.261 nan 8.290 nan 0.000 0.552 499 L N 1.260 122.489 121.223 0.011 0.000 2.093 499 L HA 0.266 4.608 4.340 0.003 0.000 0.208 499 L C 3.006 179.896 176.870 0.034 0.000 1.085 499 L CA 1.986 56.831 54.840 0.008 0.000 0.755 499 L CB -0.632 41.431 42.059 0.007 0.000 0.904 499 L HN 0.224 nan 8.230 nan 0.000 0.435 500 A N -0.942 121.923 122.820 0.074 0.000 1.972 500 A HA -0.239 4.083 4.320 0.003 0.000 0.219 500 A C 2.326 180.000 177.584 0.150 0.000 1.169 500 A CA 1.796 53.933 52.037 0.167 0.000 0.635 500 A CB -0.624 18.480 19.000 0.173 0.000 0.810 500 A HN 0.621 nan 8.150 nan 0.000 0.446 501 E N 0.198 120.448 120.200 0.083 0.000 2.028 501 E HA -0.157 4.195 4.350 0.003 0.000 0.190 501 E C 2.041 178.670 176.600 0.048 0.000 0.984 501 E CA 1.457 57.895 56.400 0.064 0.000 0.800 501 E CB -0.257 29.466 29.700 0.038 0.000 0.758 501 E HN 0.775 nan 8.360 nan 0.000 0.448 502 I N -1.340 119.253 120.570 0.039 0.000 2.493 502 I HA -0.162 4.010 4.170 0.003 0.000 0.254 502 I C 2.155 178.313 176.117 0.069 0.000 1.160 502 I CA 0.939 62.273 61.300 0.057 0.000 1.445 502 I CB -0.321 37.716 38.000 0.062 0.000 1.086 502 I HN 0.044 nan 8.210 nan 0.000 0.433 503 I N 2.037 122.613 120.570 0.009 0.000 2.315 503 I HA -0.189 3.983 4.170 0.003 0.000 0.248 503 I C 2.947 178.968 176.117 -0.160 0.000 1.117 503 I CA 1.347 62.558 61.300 -0.149 0.000 1.404 503 I CB -0.389 37.369 38.000 -0.403 0.000 1.071 503 I HN 0.313 nan 8.210 nan 0.000 0.419 504 A N 0.291 123.111 122.820 -0.000 0.000 2.014 504 A HA -0.164 4.158 4.320 0.003 0.000 0.218 504 A C 2.138 179.736 177.584 0.024 0.000 1.163 504 A CA 1.218 53.311 52.037 0.094 0.000 0.652 504 A CB -0.444 18.664 19.000 0.181 0.000 0.808 504 A HN 0.419 nan 8.150 nan 0.000 0.449 505 E N -0.366 119.833 120.200 -0.002 0.000 2.051 505 E HA -0.199 4.153 4.350 0.003 0.000 0.192 505 E C 2.263 178.824 176.600 -0.064 0.000 0.991 505 E CA 1.200 57.591 56.400 -0.015 0.000 0.799 505 E CB -0.111 29.586 29.700 -0.006 0.000 0.748 505 E HN 0.368 nan 8.360 nan 0.000 0.449 506 R N 0.450 120.843 120.500 -0.179 0.000 2.055 506 R HA 0.015 4.357 4.340 0.003 0.000 0.226 506 R C 2.388 178.603 176.300 -0.143 0.000 1.135 506 R CA 1.085 57.017 56.100 -0.281 0.000 0.959 506 R CB -0.624 29.146 30.300 -0.884 0.000 0.854 506 R HN 0.366 nan 8.270 nan 0.000 0.431 507 I N -2.957 117.523 120.570 -0.149 0.000 4.025 507 I HA 0.456 4.628 4.170 0.003 0.000 0.336 507 I C 0.441 176.574 176.117 0.027 0.000 1.390 507 I CA 0.093 61.362 61.300 -0.052 0.000 1.099 507 I CB 0.592 38.545 38.000 -0.079 0.000 1.049 507 I HN 0.188 nan 8.210 nan 0.000 0.394 508 G N 1.951 110.782 108.800 0.052 0.000 2.728 508 G HA2 -0.207 3.754 3.960 0.003 0.000 0.294 508 G HA3 -0.207 3.754 3.960 0.003 0.000 0.294 508 G C -0.189 174.829 174.900 0.197 0.000 1.342 508 G CA -0.011 45.147 45.100 0.097 0.000 0.866 508 G HN 0.460 nan 8.290 nan 0.000 0.534 509 E N -0.545 119.741 120.200 0.143 0.000 2.651 509 E HA 0.168 4.520 4.350 0.003 0.000 0.208 509 E C 1.455 178.038 176.600 -0.030 0.000 0.997 509 E CA 0.135 56.594 56.400 0.099 0.000 1.020 509 E CB 0.660 30.370 29.700 0.016 0.000 1.052 509 E HN 0.577 nan 8.360 nan 0.000 0.465 510 E N 0.054 120.294 120.200 0.066 0.000 2.347 510 E HA -0.175 4.176 4.350 0.003 0.000 0.196 510 E C 1.541 178.145 176.600 0.007 0.000 1.008 510 E CA 0.689 57.105 56.400 0.026 0.000 0.852 510 E CB 0.049 29.782 29.700 0.055 0.000 0.783 510 E HN 0.456 nan 8.360 nan 0.000 0.505 511 Y N -0.631 119.658 120.300 -0.018 0.000 2.256 511 Y HA -0.152 4.400 4.550 0.004 0.000 0.288 511 Y C 1.692 177.554 175.900 -0.065 0.000 1.155 511 Y CA 0.931 59.013 58.100 -0.031 0.000 1.203 511 Y CB -0.568 37.877 38.460 -0.024 0.000 0.980 511 Y HN -0.011 nan 8.280 nan 0.000 0.530 512 I N 1.024 121.123 120.570 -0.785 0.000 2.315 512 I HA -0.282 3.890 4.170 0.003 0.000 0.251 512 I C 1.340 177.218 176.117 -0.398 0.000 1.125 512 I CA 1.951 62.828 61.300 -0.705 0.000 1.392 512 I CB -0.522 36.932 38.000 -0.911 0.000 1.065 512 I HN 0.474 nan 8.210 nan 0.000 0.424 513 S N -2.020 113.554 115.700 -0.211 0.000 2.846 513 S HA 0.200 4.672 4.470 0.003 0.000 0.249 513 S C 0.060 174.641 174.600 -0.032 0.000 1.028 513 S CA -0.507 57.639 58.200 -0.091 0.000 1.043 513 S CB 0.457 63.650 63.200 -0.012 0.000 0.990 513 S HN 0.292 nan 8.310 nan 0.000 0.564 514 D N 0.913 121.302 120.400 -0.019 0.000 2.823 514 D HA 0.237 4.879 4.640 0.003 0.000 0.255 514 D C 0.309 176.635 176.300 0.043 0.000 1.257 514 D CA -0.381 53.626 54.000 0.011 0.000 0.803 514 D CB 0.387 41.198 40.800 0.019 0.000 1.384 514 D HN 0.079 nan 8.370 nan 0.000 0.541 515 L N 1.221 122.470 121.223 0.042 0.000 2.353 515 L HA 0.017 4.358 4.340 0.003 0.000 0.220 515 L C 1.432 178.336 176.870 0.056 0.000 1.133 515 L CA 1.505 56.395 54.840 0.084 0.000 0.798 515 L CB -0.037 42.066 42.059 0.074 0.000 0.922 515 L HN 0.272 nan 8.230 nan 0.000 0.445 516 D N -0.834 119.577 120.400 0.019 0.000 2.218 516 D HA -0.221 4.421 4.640 0.003 0.000 0.204 516 D C 1.858 178.170 176.300 0.019 0.000 0.976 516 D CA 0.831 54.832 54.000 0.001 0.000 0.853 516 D CB 0.078 40.867 40.800 -0.017 0.000 0.939 516 D HN 0.556 nan 8.370 nan 0.000 0.481 517 Q N 0.210 120.035 119.800 0.043 0.000 2.248 517 Q HA -0.123 4.219 4.340 0.003 0.000 0.208 517 Q C 2.327 178.342 176.000 0.025 0.000 0.984 517 Q CA 0.497 56.328 55.803 0.047 0.000 0.875 517 Q CB -0.107 28.683 28.738 0.088 0.000 0.910 517 Q HN 0.399 nan 8.270 nan 0.000 0.433 518 L N 0.048 121.283 121.223 0.019 0.000 2.349 518 L HA -0.187 4.155 4.340 0.003 0.000 0.220 518 L C 2.174 179.040 176.870 -0.006 0.000 1.130 518 L CA 0.777 55.600 54.840 -0.029 0.000 0.791 518 L CB -0.359 41.690 42.059 -0.017 0.000 0.918 518 L HN 0.193 nan 8.230 nan 0.000 0.444 519 R N 0.348 120.852 120.500 0.008 0.000 2.249 519 R HA -0.165 4.177 4.340 0.003 0.000 0.230 519 R C 1.935 178.244 176.300 0.014 0.000 1.121 519 R CA 0.936 57.043 56.100 0.013 0.000 0.997 519 R CB -0.110 30.193 30.300 0.006 0.000 0.867 519 R HN 0.371 nan 8.270 nan 0.000 0.465 520 K N -0.014 120.392 120.400 0.011 0.000 2.515 520 K HA -0.107 4.215 4.320 0.003 0.000 0.196 520 K C 1.148 177.791 176.600 0.072 0.000 1.038 520 K CA 0.494 56.798 56.287 0.028 0.000 0.967 520 K CB 0.109 32.624 32.500 0.025 0.000 0.780 520 K HN 0.035 nan 8.250 nan 0.000 0.483 521 L N 0.401 121.646 121.223 0.035 0.000 2.567 521 L HA 0.048 4.390 4.340 0.003 0.000 0.225 521 L C 1.383 178.327 176.870 0.124 0.000 1.119 521 L CA 0.657 55.514 54.840 0.028 0.000 0.871 521 L CB 0.006 42.024 42.059 -0.068 0.000 1.036 521 L HN 0.048 nan 8.230 nan 0.000 0.459 522 L N -0.835 120.438 121.223 0.083 0.000 2.093 522 L HA -0.082 4.259 4.340 0.003 0.000 0.208 522 L C 2.373 179.261 176.870 0.030 0.000 1.085 522 L CA 1.395 56.273 54.840 0.063 0.000 0.755 522 L CB -0.927 41.152 42.059 0.033 0.000 0.904 522 L HN 0.193 nan 8.230 nan 0.000 0.435 523 S N -1.413 114.271 115.700 -0.026 0.000 2.520 523 S HA -0.173 4.299 4.470 0.003 0.000 0.249 523 S C 0.936 175.368 174.600 -0.281 0.000 0.983 523 S CA 0.886 58.979 58.200 -0.178 0.000 0.958 523 S CB -0.448 62.574 63.200 -0.296 0.000 0.750 523 S HN 0.468 nan 8.310 nan 0.000 0.527 524 Y N -0.780 119.464 120.300 -0.094 0.000 2.660 524 Y HA 0.332 4.884 4.550 0.003 0.000 0.254 524 Y C 1.589 177.545 175.900 0.094 0.000 1.176 524 Y CA -0.521 57.530 58.100 -0.081 0.000 1.195 524 Y CB 0.034 38.246 38.460 -0.413 0.000 1.190 524 Y HN -0.000 nan 8.280 nan 0.000 0.535 525 V N 0.200 120.224 119.914 0.183 0.000 2.490 525 V HA -0.253 3.869 4.120 0.003 0.000 0.250 525 V C 1.063 177.237 176.094 0.132 0.000 1.061 525 V CA 2.124 64.524 62.300 0.167 0.000 1.064 525 V CB -0.134 31.744 31.823 0.092 0.000 0.670 525 V HN 0.423 nan 8.190 nan 0.000 0.461 526 D N -1.060 119.398 120.400 0.097 0.000 2.363 526 D HA 0.071 4.713 4.640 0.003 0.000 0.214 526 D C 0.549 176.901 176.300 0.087 0.000 1.093 526 D CA 0.044 54.086 54.000 0.069 0.000 0.837 526 D CB 0.162 40.979 40.800 0.028 0.000 0.948 526 D HN 0.384 nan 8.370 nan 0.000 0.507 527 D N 1.859 122.349 120.400 0.151 0.000 2.336 527 D HA -0.020 4.622 4.640 0.003 0.000 0.249 527 D C 1.151 177.555 176.300 0.172 0.000 1.213 527 D CA -0.075 54.022 54.000 0.163 0.000 0.870 527 D CB 1.252 42.207 40.800 0.258 0.000 1.076 527 D HN -0.192 nan 8.370 nan 0.000 0.483 528 E N 2.836 123.101 120.200 0.108 0.000 2.209 528 E HA -0.178 4.174 4.350 0.003 0.000 0.196 528 E C 1.511 178.161 176.600 0.085 0.000 0.993 528 E CA 0.700 57.149 56.400 0.082 0.000 0.819 528 E CB 0.084 29.814 29.700 0.051 0.000 0.745 528 E HN 0.654 nan 8.360 nan 0.000 0.477 529 A N 0.208 123.097 122.820 0.116 0.000 1.898 529 A HA -0.117 4.204 4.320 0.003 0.000 0.214 529 A C 2.008 179.681 177.584 0.147 0.000 1.183 529 A CA 0.746 52.849 52.037 0.110 0.000 0.622 529 A CB -0.588 18.482 19.000 0.116 0.000 0.824 529 A HN 0.248 nan 8.150 nan 0.000 0.444 530 F N 0.878 120.853 119.950 0.041 0.000 2.084 530 F HA -0.110 4.418 4.527 0.002 0.000 0.296 530 F C 2.014 177.821 175.800 0.012 0.000 1.111 530 F CA 1.187 59.193 58.000 0.010 0.000 1.224 530 F CB -0.487 38.540 39.000 0.045 0.000 0.991 530 F HN 0.167 nan 8.300 nan 0.000 0.471 531 I N 0.956 121.539 120.570 0.022 0.000 2.151 531 I HA -0.383 3.789 4.170 0.003 0.000 0.243 531 I C 2.528 178.579 176.117 -0.109 0.000 1.080 531 I CA 2.100 63.356 61.300 -0.073 0.000 1.339 531 I CB -0.504 37.513 38.000 0.028 0.000 1.039 531 I HN 0.215 nan 8.210 nan 0.000 0.409 532 R N 0.094 120.560 120.500 -0.056 0.000 2.236 532 R HA -0.042 4.300 4.340 0.003 0.000 0.208 532 R C 1.256 177.503 176.300 -0.087 0.000 1.036 532 R CA 0.991 57.055 56.100 -0.060 0.000 1.001 532 R CB -0.434 29.850 30.300 -0.026 0.000 0.896 532 R HN 0.273 nan 8.270 nan 0.000 0.464 533 D N 1.411 121.740 120.400 -0.118 0.000 2.103 533 D HA -0.074 4.568 4.640 0.003 0.000 0.199 533 D C 2.093 178.272 176.300 -0.200 0.000 0.978 533 D CA 1.042 54.965 54.000 -0.129 0.000 0.829 533 D CB -0.156 40.593 40.800 -0.086 0.000 0.981 533 D HN -0.004 nan 8.370 nan 0.000 0.464 534 V N 1.345 121.034 119.914 -0.375 0.000 2.324 534 V HA -0.261 3.861 4.120 0.003 0.000 0.250 534 V C 2.403 178.404 176.094 -0.154 0.000 1.060 534 V CA 1.976 64.074 62.300 -0.338 0.000 1.042 534 V CB -0.790 30.732 31.823 -0.501 0.000 0.650 534 V HN 0.217 nan 8.190 nan 0.000 0.450 535 A N -0.587 122.163 122.820 -0.117 0.000 2.066 535 A HA -0.150 4.172 4.320 0.003 0.000 0.218 535 A C 2.175 179.721 177.584 -0.063 0.000 1.157 535 A CA 1.730 53.730 52.037 -0.060 0.000 0.670 535 A CB -0.350 18.617 19.000 -0.054 0.000 0.804 535 A HN 0.455 nan 8.150 nan 0.000 0.453 536 K N -0.163 120.195 120.400 -0.069 0.000 2.062 536 K HA 0.014 4.335 4.320 0.003 0.000 0.205 536 K C 1.680 178.252 176.600 -0.047 0.000 1.051 536 K CA 1.525 57.779 56.287 -0.054 0.000 0.941 536 K CB -0.565 31.906 32.500 -0.049 0.000 0.719 536 K HN 0.149 nan 8.250 nan 0.000 0.440 537 V N 1.056 120.938 119.914 -0.052 0.000 2.261 537 V HA -0.239 3.883 4.120 0.003 0.000 0.246 537 V C 2.287 178.362 176.094 -0.032 0.000 1.047 537 V CA 2.101 64.377 62.300 -0.039 0.000 1.015 537 V CB -0.501 31.292 31.823 -0.050 0.000 0.642 537 V HN 0.330 nan 8.190 nan 0.000 0.446 538 K N 0.308 120.688 120.400 -0.032 0.000 2.063 538 K HA -0.236 4.085 4.320 0.003 0.000 0.208 538 K C 2.235 178.799 176.600 -0.060 0.000 1.048 538 K CA 1.850 58.123 56.287 -0.024 0.000 0.928 538 K CB -0.513 31.992 32.500 0.008 0.000 0.713 538 K HN 0.523 nan 8.250 nan 0.000 0.442 539 Q N -0.016 119.742 119.800 -0.070 0.000 2.167 539 Q HA -0.153 4.188 4.340 0.003 0.000 0.202 539 Q C 1.518 177.481 176.000 -0.061 0.000 0.970 539 Q CA 1.535 57.283 55.803 -0.091 0.000 0.855 539 Q CB 0.063 28.753 28.738 -0.079 0.000 0.911 539 Q HN 0.459 nan 8.270 nan 0.000 0.438 540 E N -0.088 120.091 120.200 -0.035 0.000 2.152 540 E HA -0.116 4.236 4.350 0.003 0.000 0.192 540 E C 1.584 178.191 176.600 0.011 0.000 0.983 540 E CA 1.056 57.449 56.400 -0.011 0.000 0.818 540 E CB 0.098 29.793 29.700 -0.008 0.000 0.758 540 E HN 0.464 nan 8.360 nan 0.000 0.467 541 N N 0.524 119.227 118.700 0.006 0.000 2.142 541 N HA -0.137 4.605 4.740 0.003 0.000 0.186 541 N C 1.584 177.149 175.510 0.092 0.000 1.023 541 N CA 0.945 54.018 53.050 0.038 0.000 0.852 541 N CB 0.065 38.558 38.487 0.011 0.000 0.998 541 N HN -0.005 nan 8.380 nan 0.000 0.424 542 K N 0.725 121.129 120.400 0.007 0.000 2.026 542 K HA -0.068 4.254 4.320 0.003 0.000 0.208 542 K C 1.878 178.534 176.600 0.094 0.000 1.048 542 K CA 0.759 57.027 56.287 -0.032 0.000 0.929 542 K CB -0.132 32.080 32.500 -0.481 0.000 0.713 542 K HN 0.113 nan 8.250 nan 0.000 0.439 543 L N 1.750 122.995 121.223 0.036 0.000 2.046 543 L HA -0.189 4.153 4.340 0.003 0.000 0.208 543 L C 2.364 179.299 176.870 0.108 0.000 1.077 543 L CA 1.747 56.623 54.840 0.060 0.000 0.747 543 L CB -0.595 41.479 42.059 0.024 0.000 0.896 543 L HN 0.228 nan 8.230 nan 0.000 0.432 544 K N -1.095 119.378 120.400 0.122 0.000 2.026 544 K HA -0.246 4.076 4.320 0.003 0.000 0.208 544 K C 2.175 178.912 176.600 0.228 0.000 1.048 544 K CA 1.506 57.878 56.287 0.143 0.000 0.929 544 K CB -0.229 32.345 32.500 0.123 0.000 0.713 544 K HN 0.088 nan 8.250 nan 0.000 0.439 545 F N 1.179 121.210 119.950 0.136 0.000 2.206 545 F HA -0.010 4.518 4.527 0.003 0.000 0.298 545 F C 1.976 177.919 175.800 0.238 0.000 1.090 545 F CA 1.037 59.152 58.000 0.192 0.000 1.323 545 F CB -0.426 38.699 39.000 0.208 0.000 1.028 545 F HN 0.066 nan 8.300 nan 0.000 0.492 546 A N 0.092 123.055 122.820 0.239 0.000 1.978 546 A HA -0.098 4.223 4.320 0.003 0.000 0.220 546 A C 2.349 179.929 177.584 -0.007 0.000 1.170 546 A CA 1.914 54.023 52.037 0.120 0.000 0.636 546 A CB -1.371 17.748 19.000 0.198 0.000 0.810 546 A HN 0.445 nan 8.150 nan 0.000 0.448 547 A N -1.967 120.867 122.820 0.023 0.000 1.984 547 A HA 0.129 4.450 4.320 0.003 0.000 0.214 547 A C 2.024 179.580 177.584 -0.047 0.000 1.173 547 A CA 1.147 53.180 52.037 -0.007 0.000 0.673 547 A CB -0.675 18.341 19.000 0.026 0.000 0.830 547 A HN 0.707 nan 8.150 nan 0.000 0.453 548 Y N 0.279 120.487 120.300 -0.154 0.000 2.128 548 Y HA -0.197 4.355 4.550 0.003 0.000 0.284 548 Y C 1.761 177.482 175.900 -0.298 0.000 1.154 548 Y CA 1.855 59.834 58.100 -0.203 0.000 1.149 548 Y CB -0.386 37.968 38.460 -0.176 0.000 0.976 548 Y HN 0.191 nan 8.280 nan 0.000 0.505 549 L N 0.806 121.850 121.223 -0.297 0.000 2.450 549 L HA -0.186 4.156 4.340 0.003 0.000 0.225 549 L C 1.035 177.774 176.870 -0.218 0.000 1.145 549 L CA 1.940 56.612 54.840 -0.280 0.000 0.801 549 L CB -0.483 41.389 42.059 -0.313 0.000 0.924 549 L HN 0.424 nan 8.230 nan 0.000 0.447 550 E N -2.805 117.258 120.200 -0.228 0.000 2.759 550 E HA 0.098 4.450 4.350 0.003 0.000 0.220 550 E C 1.520 178.012 176.600 -0.179 0.000 0.974 550 E CA -0.127 56.182 56.400 -0.153 0.000 1.148 550 E CB 0.551 30.205 29.700 -0.075 0.000 1.059 550 E HN 0.254 nan 8.360 nan 0.000 0.493 551 R N 0.801 121.127 120.500 -0.291 0.000 2.087 551 R HA 0.111 4.453 4.340 0.003 0.000 0.213 551 R C -0.203 175.865 176.300 -0.386 0.000 1.137 551 R CA 0.854 56.789 56.100 -0.274 0.000 1.022 551 R CB 0.548 30.690 30.300 -0.262 0.000 0.920 551 R HN -0.116 nan 8.270 nan 0.000 0.451 552 E N 0.192 119.968 120.200 -0.706 0.000 2.176 552 E HA 0.318 4.670 4.350 0.003 0.000 0.267 552 E C -1.350 174.675 176.600 -0.959 0.000 0.893 552 E CA -0.524 55.344 56.400 -0.887 0.000 0.761 552 E CB 1.005 29.906 29.700 -1.331 0.000 1.133 552 E HN 0.057 nan 8.360 nan 0.000 0.409 553 Y N -0.146 120.051 120.300 -0.171 0.000 2.508 553 Y HA -0.204 4.348 4.550 0.003 0.000 0.274 553 Y C -0.469 175.371 175.900 -0.100 0.000 1.554 553 Y CA -0.351 57.685 58.100 -0.105 0.000 1.359 553 Y CB -1.293 37.109 38.460 -0.097 0.000 2.175 553 Y HN 0.548 nan 8.280 nan 0.000 0.310 554 K N -2.338 118.118 120.400 0.092 0.000 2.774 554 K HA 0.845 5.167 4.320 0.003 0.000 0.283 554 K C -1.160 175.463 176.600 0.038 0.000 1.050 554 K CA -0.220 56.085 56.287 0.030 0.000 0.872 554 K CB 1.450 33.963 32.500 0.022 0.000 1.434 554 K HN 0.802 nan 8.250 nan 0.000 0.372 555 V N -0.709 119.224 119.914 0.032 0.000 6.473 555 V HA 0.392 4.514 4.120 0.003 0.000 0.069 555 V C -1.261 174.894 176.094 0.102 0.000 0.883 555 V CA 0.562 62.889 62.300 0.045 0.000 0.890 555 V CB 0.454 32.277 31.823 0.001 0.000 1.509 555 V HN 1.120 nan 8.190 nan 0.000 0.668 556 H N 0.120 119.180 119.070 -0.017 0.000 4.393 556 H HA 0.275 4.833 4.556 0.003 0.000 0.599 556 H C -2.623 172.702 175.328 -0.005 0.000 1.906 556 H CA -0.329 55.716 56.048 -0.004 0.000 1.616 556 H CB 0.349 30.112 29.762 0.001 0.000 3.283 556 H HN 0.364 nan 8.280 nan 0.000 0.430 557 I N 4.738 125.030 120.570 -0.462 0.000 2.406 557 I HA 0.130 4.302 4.170 0.003 0.000 0.290 557 I C 0.194 176.077 176.117 -0.390 0.000 0.999 557 I CA -0.453 60.643 61.300 -0.339 0.000 1.124 557 I CB 1.422 39.332 38.000 -0.151 0.000 1.289 557 I HN 0.516 nan 8.210 nan 0.000 0.441 558 N N 9.078 127.600 118.700 -0.296 0.000 2.399 558 N HA 0.209 4.951 4.740 0.003 0.000 0.259 558 N C -1.816 173.748 175.510 0.090 0.000 1.160 558 N CA -1.915 51.070 53.050 -0.107 0.000 0.946 558 N CB 0.920 39.412 38.487 0.008 0.000 1.156 558 N HN 0.321 nan 8.380 nan 0.000 0.489 559 P HA -0.008 nan 4.420 nan 0.000 0.242 559 P C -0.198 177.050 177.300 -0.087 0.000 1.197 559 P CA 0.704 63.831 63.100 0.044 0.000 0.765 559 P CB 0.305 32.021 31.700 0.027 0.000 0.936 560 N N -0.457 118.240 118.700 -0.005 0.000 2.356 560 N HA -0.019 4.723 4.740 0.003 0.000 0.178 560 N C 0.669 176.199 175.510 0.033 0.000 1.075 560 N CA -0.060 52.983 53.050 -0.011 0.000 0.889 560 N CB 0.084 38.584 38.487 0.022 0.000 0.999 560 N HN 0.143 nan 8.380 nan 0.000 0.464 561 S N 0.373 116.119 115.700 0.076 0.000 2.596 561 S HA 0.064 4.536 4.470 0.003 0.000 0.260 561 S C 0.180 174.774 174.600 -0.011 0.000 1.336 561 S CA -0.706 57.537 58.200 0.072 0.000 0.993 561 S CB 0.711 63.977 63.200 0.110 0.000 0.923 561 S HN 0.211 nan 8.310 nan 0.000 0.567 562 L N 1.853 122.928 121.223 -0.247 0.000 2.369 562 L HA 0.312 4.654 4.340 0.003 0.000 0.279 562 L C -1.018 175.849 176.870 -0.006 0.000 1.108 562 L CA -0.575 53.935 54.840 -0.549 0.000 0.852 562 L CB -0.273 41.252 42.059 -0.890 0.000 1.169 562 L HN 0.586 nan 8.230 nan 0.000 0.452 563 F N 3.708 123.524 119.950 -0.224 0.000 2.434 563 F HA 0.176 4.704 4.527 0.003 0.000 0.358 563 F C 0.475 176.209 175.800 -0.110 0.000 1.136 563 F CA -0.892 57.044 58.000 -0.106 0.000 1.157 563 F CB 0.167 39.153 39.000 -0.023 0.000 1.167 563 F HN 0.416 nan 8.300 nan 0.000 0.539 564 D N 3.907 124.303 120.400 -0.007 0.000 2.412 564 D HA 0.347 4.989 4.640 0.003 0.000 0.224 564 D C -1.095 175.142 176.300 -0.104 0.000 1.093 564 D CA -0.091 53.861 54.000 -0.078 0.000 0.850 564 D CB 1.245 41.984 40.800 -0.102 0.000 1.046 564 D HN 0.308 nan 8.370 nan 0.000 0.507 565 V N 2.555 122.388 119.914 -0.136 0.000 2.656 565 V HA 0.567 4.689 4.120 0.003 0.000 0.307 565 V C -1.422 174.513 176.094 -0.265 0.000 1.051 565 V CA -0.700 61.505 62.300 -0.158 0.000 0.893 565 V CB 1.943 33.744 31.823 -0.038 0.000 0.999 565 V HN 0.507 nan 8.190 nan 0.000 0.426 566 Q N 4.034 123.703 119.800 -0.218 0.000 2.401 566 Q HA 0.668 5.009 4.340 0.003 0.000 0.260 566 Q C -1.334 174.504 176.000 -0.270 0.000 1.034 566 Q CA -0.649 55.015 55.803 -0.232 0.000 0.737 566 Q CB 1.831 30.459 28.738 -0.184 0.000 1.227 566 Q HN 1.103 nan 8.270 nan 0.000 0.488 567 V N 1.782 121.521 119.914 -0.290 0.000 2.407 567 V HA 0.834 4.956 4.120 0.003 0.000 0.291 567 V C -0.859 174.970 176.094 -0.441 0.000 1.018 567 V CA -0.608 61.325 62.300 -0.612 0.000 0.842 567 V CB 0.967 32.274 31.823 -0.860 0.000 0.996 567 V HN 0.799 nan 8.190 nan 0.000 0.426 568 K N 2.816 123.003 120.400 -0.356 0.000 2.931 568 K HA 0.492 4.814 4.320 0.003 0.000 0.292 568 K C -1.063 175.529 176.600 -0.012 0.000 1.077 568 K CA -1.242 54.993 56.287 -0.086 0.000 0.829 568 K CB 1.292 33.731 32.500 -0.101 0.000 1.488 568 K HN 0.527 nan 8.250 nan 0.000 0.358 569 R N 0.753 121.291 120.500 0.063 0.000 2.698 569 R HA 0.126 4.467 4.340 0.003 0.000 0.266 569 R C 0.244 176.574 176.300 0.050 0.000 1.026 569 R CA -0.417 55.745 56.100 0.104 0.000 1.102 569 R CB 0.074 30.460 30.300 0.142 0.000 0.978 569 R HN 0.349 nan 8.270 nan 0.000 0.436 570 I N 3.773 124.388 120.570 0.075 0.000 2.436 570 I HA 0.064 4.236 4.170 0.003 0.000 0.289 570 I C 0.394 176.517 176.117 0.009 0.000 1.083 570 I CA 0.657 61.960 61.300 0.005 0.000 1.372 570 I CB -0.189 37.807 38.000 -0.007 0.000 1.408 570 I HN 0.557 nan 8.210 nan 0.000 0.516 571 H N 5.566 124.558 119.070 -0.129 0.000 3.086 571 H HA 0.193 4.751 4.556 0.003 0.000 0.353 571 H C 0.461 175.686 175.328 -0.171 0.000 1.134 571 H CA -0.349 55.681 56.048 -0.030 0.000 1.248 571 H CB 1.640 31.409 29.762 0.012 0.000 1.878 571 H HN 0.611 nan 8.280 nan 0.000 0.527 572 E N 2.424 122.627 120.200 0.004 0.000 2.070 572 E HA -0.282 4.070 4.350 0.003 0.000 0.197 572 E C 1.338 177.700 176.600 -0.396 0.000 1.004 572 E CA 2.155 58.541 56.400 -0.023 0.000 0.805 572 E CB -0.172 29.657 29.700 0.216 0.000 0.744 572 E HN 0.635 nan 8.360 nan 0.000 0.451 573 Y N 0.876 120.662 120.300 -0.858 0.000 2.403 573 Y HA -0.083 4.469 4.550 0.003 0.000 0.291 573 Y C 1.548 177.184 175.900 -0.439 0.000 1.143 573 Y CA 0.916 58.341 58.100 -1.125 0.000 1.257 573 Y CB -0.152 37.737 38.460 -0.950 0.000 0.984 573 Y HN -0.181 nan 8.280 nan 0.000 0.550 574 K N 0.582 120.499 120.400 -0.804 0.000 2.365 574 K HA 0.087 4.409 4.320 0.003 0.000 0.197 574 K C 0.142 176.552 176.600 -0.317 0.000 1.042 574 K CA 0.386 56.306 56.287 -0.612 0.000 0.987 574 K CB 0.024 32.151 32.500 -0.621 0.000 0.779 574 K HN 0.216 nan 8.250 nan 0.000 0.484 575 R N 0.698 121.043 120.500 -0.259 0.000 3.267 575 R HA -0.206 4.136 4.340 0.003 0.000 0.254 575 R C 0.198 176.410 176.300 -0.148 0.000 0.993 575 R CA 0.003 56.002 56.100 -0.169 0.000 0.670 575 R CB -1.511 28.705 30.300 -0.141 0.000 1.125 575 R HN 0.236 nan 8.270 nan 0.000 0.434 576 Q N 0.153 119.868 119.800 -0.141 0.000 2.224 576 Q HA -0.024 4.318 4.340 0.003 0.000 0.203 576 Q C 1.900 177.840 176.000 -0.099 0.000 0.970 576 Q CA 1.239 56.973 55.803 -0.115 0.000 0.865 576 Q CB 0.090 28.767 28.738 -0.102 0.000 0.922 576 Q HN 0.595 nan 8.270 nan 0.000 0.445 577 L N -0.568 120.597 121.223 -0.097 0.000 2.046 577 L HA -0.181 4.161 4.340 0.003 0.000 0.208 577 L C 1.985 178.837 176.870 -0.030 0.000 1.077 577 L CA 0.578 55.375 54.840 -0.073 0.000 0.747 577 L CB -0.385 41.640 42.059 -0.057 0.000 0.896 577 L HN 0.305 nan 8.230 nan 0.000 0.432 578 L N 0.281 121.473 121.223 -0.052 0.000 2.012 578 L HA -0.289 4.053 4.340 0.003 0.000 0.210 578 L C 2.097 178.944 176.870 -0.039 0.000 1.073 578 L CA 2.078 56.872 54.840 -0.077 0.000 0.748 578 L CB -0.939 40.970 42.059 -0.251 0.000 0.891 578 L HN 0.333 nan 8.230 nan 0.000 0.431 579 N N -1.695 116.978 118.700 -0.045 0.000 2.120 579 N HA -0.213 4.529 4.740 0.003 0.000 0.188 579 N C 1.921 177.498 175.510 0.112 0.000 1.024 579 N CA 1.445 54.563 53.050 0.114 0.000 0.852 579 N CB -0.105 38.401 38.487 0.032 0.000 1.003 579 N HN 0.501 nan 8.380 nan 0.000 0.424 580 C N 0.681 119.985 119.300 0.006 0.000 2.413 580 C HA -0.067 4.394 4.460 0.003 0.000 0.277 580 C C 2.610 177.605 174.990 0.009 0.000 1.265 580 C CA 0.316 59.300 59.018 -0.058 0.000 1.752 580 C CB -1.276 26.377 27.740 -0.146 0.000 1.998 580 C HN 0.521 nan 8.230 nan 0.000 0.489 581 L N -0.449 120.847 121.223 0.122 0.000 2.093 581 L HA -0.171 4.171 4.340 0.003 0.000 0.208 581 L C 2.766 179.841 176.870 0.342 0.000 1.085 581 L CA 1.656 56.631 54.840 0.226 0.000 0.755 581 L CB -0.925 41.329 42.059 0.326 0.000 0.904 581 L HN 0.596 nan 8.230 nan 0.000 0.435 582 H N -0.373 118.839 119.070 0.237 0.000 2.363 582 H HA -0.098 4.460 4.556 0.003 0.000 0.301 582 H C 2.228 177.581 175.328 0.041 0.000 1.074 582 H CA 1.473 57.595 56.048 0.123 0.000 1.354 582 H CB 0.435 30.252 29.762 0.091 0.000 1.397 582 H HN 0.069 nan 8.280 nan 0.000 0.516 583 V N 1.508 121.352 119.914 -0.116 0.000 2.332 583 V HA -0.284 3.838 4.120 0.003 0.000 0.248 583 V C 2.703 178.732 176.094 -0.107 0.000 1.055 583 V CA 1.945 64.128 62.300 -0.194 0.000 1.038 583 V CB -0.490 31.253 31.823 -0.133 0.000 0.651 583 V HN 0.369 nan 8.190 nan 0.000 0.450 584 I N -0.493 120.061 120.570 -0.026 0.000 2.286 584 I HA -0.179 3.992 4.170 0.003 0.000 0.245 584 I C 2.531 178.740 176.117 0.154 0.000 1.104 584 I CA 1.561 62.937 61.300 0.127 0.000 1.397 584 I CB -0.781 37.301 38.000 0.138 0.000 1.072 584 I HN 0.269 nan 8.210 nan 0.000 0.417 585 T N 1.475 116.082 114.554 0.089 0.000 2.624 585 T HA -0.213 4.139 4.350 0.003 0.000 0.268 585 T C 1.885 176.567 174.700 -0.030 0.000 1.041 585 T CA 1.549 63.688 62.100 0.065 0.000 1.159 585 T CB -0.373 68.558 68.868 0.106 0.000 0.863 585 T HN 0.076 nan 8.240 nan 0.000 0.434 586 L N -0.017 121.109 121.223 -0.161 0.000 2.042 586 L HA -0.054 4.288 4.340 0.003 0.000 0.210 586 L C 2.141 178.988 176.870 -0.038 0.000 1.076 586 L CA 1.578 56.317 54.840 -0.167 0.000 0.749 586 L CB -1.156 40.730 42.059 -0.288 0.000 0.893 586 L HN 0.355 nan 8.230 nan 0.000 0.432 587 Y N 0.323 120.573 120.300 -0.084 0.000 2.181 587 Y HA -0.252 4.300 4.550 0.003 0.000 0.288 587 Y C 2.440 178.342 175.900 0.004 0.000 1.146 587 Y CA 1.746 59.839 58.100 -0.011 0.000 1.164 587 Y CB -0.256 38.245 38.460 0.067 0.000 0.982 587 Y HN 0.275 nan 8.280 nan 0.000 0.515 588 N N 0.301 118.976 118.700 -0.042 0.000 2.142 588 N HA -0.142 4.600 4.740 0.003 0.000 0.186 588 N C 1.955 177.370 175.510 -0.158 0.000 1.023 588 N CA 1.266 54.237 53.050 -0.132 0.000 0.852 588 N CB -0.395 38.087 38.487 -0.008 0.000 0.998 588 N HN 0.266 nan 8.380 nan 0.000 0.424 589 R N 0.693 121.126 120.500 -0.111 0.000 2.083 589 R HA 0.067 4.409 4.340 0.003 0.000 0.237 589 R C 2.178 178.401 176.300 -0.129 0.000 1.137 589 R CA 0.980 57.017 56.100 -0.105 0.000 0.951 589 R CB -0.386 29.860 30.300 -0.090 0.000 0.851 589 R HN 0.244 nan 8.270 nan 0.000 0.434 590 I N 0.444 120.921 120.570 -0.155 0.000 2.252 590 I HA -0.259 3.913 4.170 0.003 0.000 0.245 590 I C 1.786 177.797 176.117 -0.178 0.000 1.102 590 I CA 1.038 62.246 61.300 -0.154 0.000 1.385 590 I CB -0.185 37.728 38.000 -0.146 0.000 1.064 590 I HN 0.036 nan 8.210 nan 0.000 0.414 591 K N 0.974 121.214 120.400 -0.266 0.000 2.147 591 K HA -0.183 4.138 4.320 0.003 0.000 0.205 591 K C 1.944 178.445 176.600 -0.166 0.000 1.049 591 K CA 1.206 57.338 56.287 -0.258 0.000 0.936 591 K CB -0.405 31.857 32.500 -0.398 0.000 0.722 591 K HN 0.329 nan 8.250 nan 0.000 0.446 592 K N 1.046 121.359 120.400 -0.144 0.000 2.116 592 K HA -0.063 4.259 4.320 0.003 0.000 0.203 592 K C -0.152 176.400 176.600 -0.081 0.000 1.052 592 K CA 0.978 57.203 56.287 -0.103 0.000 0.952 592 K CB 0.335 32.779 32.500 -0.093 0.000 0.729 592 K HN -0.008 nan 8.250 nan 0.000 0.446 593 E N 0.325 120.476 120.200 -0.083 0.000 3.108 593 E HA 0.141 4.492 4.350 0.003 0.000 0.228 593 E C -2.351 174.210 176.600 -0.064 0.000 1.176 593 E CA -1.672 54.691 56.400 -0.062 0.000 0.881 593 E CB 1.734 31.403 29.700 -0.052 0.000 1.354 593 E HN 0.107 nan 8.360 nan 0.000 0.400 594 P HA -0.094 nan 4.420 nan 0.000 0.234 594 P C 0.118 177.397 177.300 -0.035 0.000 1.162 594 P CA 0.878 63.945 63.100 -0.054 0.000 0.759 594 P CB 0.259 31.932 31.700 -0.046 0.000 0.813 595 N N -2.100 116.585 118.700 -0.025 0.000 2.159 595 N HA 0.035 4.776 4.740 0.003 0.000 0.217 595 N C 0.525 176.041 175.510 0.011 0.000 1.223 595 N CA -0.022 53.027 53.050 -0.002 0.000 0.896 595 N CB 0.505 38.993 38.487 0.003 0.000 1.064 595 N HN 0.058 nan 8.380 nan 0.000 0.518 596 K N 1.037 121.431 120.400 -0.011 0.000 2.168 596 K HA 0.152 4.474 4.320 0.003 0.000 0.258 596 K C -0.631 175.962 176.600 -0.011 0.000 1.010 596 K CA -0.429 55.862 56.287 0.006 0.000 0.929 596 K CB 0.543 33.028 32.500 -0.025 0.000 0.998 596 K HN -0.118 nan 8.250 nan 0.000 0.479 597 F N 2.862 122.802 119.950 -0.016 0.000 2.410 597 F HA 0.342 4.871 4.527 0.003 0.000 0.348 597 F C -0.613 175.178 175.800 -0.014 0.000 1.106 597 F CA -0.451 57.542 58.000 -0.012 0.000 1.163 597 F CB 0.815 39.809 39.000 -0.009 0.000 1.129 597 F HN 0.044 nan 8.300 nan 0.000 0.516 598 V N 7.287 126.356 119.914 -1.409 0.000 2.686 598 V HA 0.388 4.510 4.120 0.003 0.000 0.306 598 V C -1.170 174.298 176.094 -1.044 0.000 1.065 598 V CA -0.875 60.895 62.300 -0.883 0.000 0.894 598 V CB 2.229 33.797 31.823 -0.425 0.000 1.004 598 V HN 0.583 nan 8.190 nan 0.000 0.424 599 V N 9.724 129.329 119.914 -0.515 0.000 2.450 599 V HA 0.212 4.334 4.120 0.003 0.000 0.281 599 V C -1.720 174.273 176.094 -0.167 0.000 1.019 599 V CA -0.758 61.450 62.300 -0.152 0.000 1.062 599 V CB 1.107 32.947 31.823 0.030 0.000 0.979 599 V HN 0.789 nan 8.190 nan 0.000 0.477 600 P HA 0.350 nan 4.420 nan 0.000 0.275 600 P C -0.684 176.564 177.300 -0.086 0.000 1.227 600 P CA -0.434 62.613 63.100 -0.088 0.000 0.781 600 P CB 1.053 32.734 31.700 -0.032 0.000 0.906 601 R N 0.679 121.127 120.500 -0.087 0.000 2.686 601 R HA 0.549 4.891 4.340 0.003 0.000 0.283 601 R C -0.545 175.709 176.300 -0.077 0.000 0.978 601 R CA -0.562 55.480 56.100 -0.096 0.000 0.897 601 R CB 2.023 32.248 30.300 -0.124 0.000 1.192 601 R HN 0.340 nan 8.270 nan 0.000 0.457 602 T N 2.251 116.757 114.554 -0.080 0.000 2.788 602 T HA 0.254 4.606 4.350 0.003 0.000 0.296 602 T C -0.632 173.948 174.700 -0.200 0.000 1.009 602 T CA -0.604 61.384 62.100 -0.188 0.000 0.949 602 T CB 1.103 69.731 68.868 -0.400 0.000 0.946 602 T HN 0.365 nan 8.240 nan 0.000 0.453 603 V N 4.047 123.863 119.914 -0.164 0.000 2.394 603 V HA 0.756 4.878 4.120 0.003 0.000 0.282 603 V C -0.647 175.353 176.094 -0.157 0.000 1.031 603 V CA -0.761 61.452 62.300 -0.144 0.000 0.881 603 V CB 1.001 32.760 31.823 -0.106 0.000 0.982 603 V HN 0.878 nan 8.190 nan 0.000 0.451 604 M N 7.251 126.754 119.600 -0.162 0.000 2.190 604 M HA 0.621 5.103 4.480 0.003 0.000 0.312 604 M C -0.994 175.190 176.300 -0.193 0.000 0.990 604 M CA -0.184 55.016 55.300 -0.167 0.000 0.927 604 M CB 2.049 34.562 32.600 -0.144 0.000 1.571 604 M HN 0.544 nan 8.290 nan 0.000 0.427 605 I N 1.635 122.059 120.570 -0.242 0.000 2.569 605 I HA 0.924 5.096 4.170 0.003 0.000 0.296 605 I C 0.113 175.847 176.117 -0.638 0.000 1.028 605 I CA -0.808 60.313 61.300 -0.298 0.000 1.082 605 I CB 2.394 40.317 38.000 -0.128 0.000 1.264 605 I HN 0.807 nan 8.210 nan 0.000 0.429 606 G N 2.552 110.979 108.800 -0.622 0.000 2.742 606 G HA2 0.756 4.718 3.960 0.003 0.000 0.296 606 G HA3 0.756 4.718 3.960 0.003 0.000 0.296 606 G C -1.044 173.594 174.900 -0.436 0.000 1.436 606 G CA -0.419 44.202 45.100 -0.798 0.000 0.928 606 G HN 1.031 nan 8.290 nan 0.000 0.520 607 G N -0.293 108.442 108.800 -0.108 0.000 2.320 607 G HA2 0.492 4.454 3.960 0.003 0.000 0.297 607 G HA3 0.492 4.454 3.960 0.003 0.000 0.297 607 G C -1.674 173.400 174.900 0.289 0.000 1.344 607 G CA -0.966 44.219 45.100 0.141 0.000 0.851 607 G HN 0.616 nan 8.290 nan 0.000 0.567 608 K N 0.588 121.149 120.400 0.267 0.000 2.203 608 K HA 0.725 5.047 4.320 0.003 0.000 0.251 608 K C -1.196 175.572 176.600 0.280 0.000 0.944 608 K CA -0.979 55.495 56.287 0.313 0.000 0.829 608 K CB 2.886 35.526 32.500 0.233 0.000 1.125 608 K HN 0.392 nan 8.250 nan 0.000 0.430 609 P HA 0.062 nan 4.420 nan 0.000 0.203 609 P C -0.721 176.738 177.300 0.264 0.000 1.202 609 P CA 1.813 65.018 63.100 0.175 0.000 0.917 609 P CB -0.020 31.735 31.700 0.091 0.000 0.750 610 A N -2.736 120.265 122.820 0.302 0.000 0.939 610 A HA 0.428 4.750 4.320 0.003 0.000 0.230 610 A C -3.323 174.400 177.584 0.231 0.000 0.610 610 A CA -0.440 51.784 52.037 0.313 0.000 0.446 610 A CB -1.083 18.105 19.000 0.314 0.000 0.919 610 A HN 0.170 nan 8.150 nan 0.000 0.336 611 P HA 0.413 nan 4.420 nan 0.000 0.264 611 P C 1.280 178.644 177.300 0.106 0.000 1.193 611 P CA 2.125 65.245 63.100 0.034 0.000 0.763 611 P CB 0.834 32.499 31.700 -0.059 0.000 0.810 612 G N 2.030 110.898 108.800 0.114 0.000 2.195 612 G HA2 -0.265 3.697 3.960 0.003 0.000 0.246 612 G HA3 -0.265 3.697 3.960 0.003 0.000 0.246 612 G C -0.279 174.752 174.900 0.217 0.000 0.984 612 G CA -0.412 44.771 45.100 0.138 0.000 0.633 612 G HN 0.542 nan 8.290 nan 0.000 0.525 613 Y N 2.586 122.933 120.300 0.079 0.000 2.700 613 Y HA 0.484 5.036 4.550 0.003 0.000 0.333 613 Y C 1.266 177.211 175.900 0.074 0.000 1.036 613 Y CA -1.017 57.122 58.100 0.066 0.000 1.287 613 Y CB -0.419 38.056 38.460 0.025 0.000 1.132 613 Y HN 0.372 nan 8.280 nan 0.000 0.510 614 H N 4.233 123.469 119.070 0.277 0.000 2.357 614 H HA -0.149 4.409 4.556 0.003 0.000 0.301 614 H C 1.493 176.855 175.328 0.057 0.000 1.082 614 H CA 1.929 58.058 56.048 0.136 0.000 1.342 614 H CB 0.441 30.279 29.762 0.127 0.000 1.389 614 H HN 0.636 nan 8.280 nan 0.000 0.511 615 M N 1.050 120.545 119.600 -0.175 0.000 2.149 615 M HA -0.081 4.401 4.480 0.003 0.000 0.261 615 M C 2.485 178.515 176.300 -0.451 0.000 1.064 615 M CA 1.687 56.815 55.300 -0.288 0.000 1.102 615 M CB -0.548 32.002 32.600 -0.083 0.000 1.369 615 M HN 0.354 nan 8.290 nan 0.000 0.408 616 A N -0.872 121.512 122.820 -0.727 0.000 1.969 616 A HA -0.150 4.172 4.320 0.003 0.000 0.218 616 A C 2.137 179.547 177.584 -0.291 0.000 1.169 616 A CA 1.600 53.267 52.037 -0.616 0.000 0.635 616 A CB -0.533 17.964 19.000 -0.839 0.000 0.810 616 A HN 0.554 nan 8.150 nan 0.000 0.445 617 K N -1.138 119.151 120.400 -0.186 0.000 2.296 617 K HA 0.051 4.373 4.320 0.003 0.000 0.200 617 K C 1.764 178.339 176.600 -0.041 0.000 1.048 617 K CA 0.757 57.018 56.287 -0.043 0.000 0.966 617 K CB -0.094 32.465 32.500 0.098 0.000 0.754 617 K HN 0.296 nan 8.250 nan 0.000 0.466 618 M N 0.516 120.041 119.600 -0.125 0.000 2.123 618 M HA -0.047 4.435 4.480 0.003 0.000 0.263 618 M C 2.056 178.287 176.300 -0.115 0.000 1.069 618 M CA 1.455 56.719 55.300 -0.061 0.000 1.133 618 M CB -0.567 31.981 32.600 -0.087 0.000 1.356 618 M HN 0.103 nan 8.290 nan 0.000 0.415 619 I N -0.129 120.330 120.570 -0.185 0.000 2.208 619 I HA -0.321 3.851 4.170 0.003 0.000 0.245 619 I C 2.277 178.242 176.117 -0.253 0.000 1.097 619 I CA 1.222 62.394 61.300 -0.214 0.000 1.363 619 I CB -0.415 37.463 38.000 -0.204 0.000 1.051 619 I HN 0.194 nan 8.210 nan 0.000 0.413 620 I N 0.679 121.082 120.570 -0.277 0.000 2.286 620 I HA -0.292 3.880 4.170 0.003 0.000 0.248 620 I C 2.585 178.396 176.117 -0.510 0.000 1.115 620 I CA 1.211 62.239 61.300 -0.455 0.000 1.392 620 I CB -0.341 37.362 38.000 -0.494 0.000 1.065 620 I HN 0.185 nan 8.210 nan 0.000 0.418 621 K N 1.651 121.780 120.400 -0.451 0.000 2.057 621 K HA -0.096 4.226 4.320 0.003 0.000 0.206 621 K C 2.013 178.403 176.600 -0.349 0.000 1.050 621 K CA 1.390 57.350 56.287 -0.545 0.000 0.935 621 K CB -0.504 31.485 32.500 -0.853 0.000 0.715 621 K HN 0.191 nan 8.250 nan 0.000 0.439 622 L N 0.366 121.339 121.223 -0.415 0.000 1.989 622 L HA -0.206 4.136 4.340 0.003 0.000 0.211 622 L C 2.288 178.843 176.870 -0.525 0.000 1.071 622 L CA 1.705 56.079 54.840 -0.775 0.000 0.749 622 L CB -0.298 41.317 42.059 -0.739 0.000 0.890 622 L HN 0.248 nan 8.230 nan 0.000 0.431 623 I N -1.021 119.322 120.570 -0.378 0.000 2.226 623 I HA -0.299 3.872 4.170 0.003 0.000 0.245 623 I C 2.406 178.378 176.117 -0.242 0.000 1.100 623 I CA 1.592 62.736 61.300 -0.260 0.000 1.374 623 I CB -0.502 37.448 38.000 -0.083 0.000 1.057 623 I HN 0.246 nan 8.210 nan 0.000 0.413 624 T N 0.655 115.043 114.554 -0.278 0.000 2.788 624 T HA -0.136 4.216 4.350 0.003 0.000 0.268 624 T C 2.031 176.622 174.700 -0.182 0.000 1.044 624 T CA 1.448 63.416 62.100 -0.219 0.000 1.139 624 T CB -0.253 68.439 68.868 -0.292 0.000 0.867 624 T HN 0.479 nan 8.240 nan 0.000 0.454 625 A N 1.147 123.843 122.820 -0.206 0.000 1.873 625 A HA 0.038 4.359 4.320 0.003 0.000 0.215 625 A C 2.265 179.758 177.584 -0.152 0.000 1.186 625 A CA 1.045 53.016 52.037 -0.109 0.000 0.616 625 A CB -0.769 18.233 19.000 0.003 0.000 0.823 625 A HN 0.491 nan 8.150 nan 0.000 0.442 626 I N -0.036 120.306 120.570 -0.379 0.000 2.194 626 I HA -0.270 3.902 4.170 0.003 0.000 0.246 626 I C 2.633 178.584 176.117 -0.277 0.000 1.093 626 I CA 1.299 62.291 61.300 -0.513 0.000 1.355 626 I CB -0.543 37.061 38.000 -0.661 0.000 1.046 626 I HN 0.417 nan 8.210 nan 0.000 0.413 627 G N -0.044 108.631 108.800 -0.208 0.000 2.422 627 G HA2 -0.214 3.748 3.960 0.003 0.000 0.218 627 G HA3 -0.214 3.748 3.960 0.003 0.000 0.218 627 G C 1.295 176.124 174.900 -0.118 0.000 1.140 627 G CA 0.692 45.699 45.100 -0.156 0.000 0.775 627 G HN 0.293 nan 8.290 nan 0.000 0.545 628 D N 0.242 120.611 120.400 -0.051 0.000 2.117 628 D HA -0.076 4.566 4.640 0.003 0.000 0.198 628 D C 2.767 179.128 176.300 0.101 0.000 0.982 628 D CA 0.664 54.711 54.000 0.078 0.000 0.828 628 D CB -0.260 40.580 40.800 0.066 0.000 0.967 628 D HN 0.186 nan 8.370 nan 0.000 0.464 629 V N 1.197 121.107 119.914 -0.007 0.000 2.229 629 V HA -0.195 3.927 4.120 0.003 0.000 0.243 629 V C 2.703 178.737 176.094 -0.099 0.000 1.042 629 V CA 1.889 64.152 62.300 -0.061 0.000 1.000 629 V CB -0.612 31.153 31.823 -0.096 0.000 0.637 629 V HN 0.159 nan 8.190 nan 0.000 0.446 630 V N -0.113 119.668 119.914 -0.220 0.000 2.667 630 V HA -0.070 4.052 4.120 0.003 0.000 0.252 630 V C 1.758 177.789 176.094 -0.105 0.000 1.065 630 V CA 2.003 64.198 62.300 -0.175 0.000 1.083 630 V CB -0.898 30.782 31.823 -0.238 0.000 0.692 630 V HN 0.621 nan 8.190 nan 0.000 0.468 631 N N 0.351 118.912 118.700 -0.232 0.000 2.521 631 N HA 0.001 4.742 4.740 0.003 0.000 0.188 631 N C 0.686 175.905 175.510 -0.484 0.000 1.146 631 N CA 1.016 53.871 53.050 -0.324 0.000 0.893 631 N CB -0.410 37.834 38.487 -0.406 0.000 0.975 631 N HN 0.802 nan 8.380 nan 0.000 0.451 632 H N -1.456 117.626 119.070 0.021 0.000 2.916 632 H HA 0.193 4.751 4.556 0.003 0.000 0.262 632 H C -0.562 174.796 175.328 0.049 0.000 1.178 632 H CA -0.482 55.581 56.048 0.025 0.000 1.090 632 H CB 0.889 30.655 29.762 0.006 0.000 1.657 632 H HN -0.011 nan 8.280 nan 0.000 0.601 633 D N 1.479 121.959 120.400 0.133 0.000 2.316 633 D HA 0.056 4.698 4.640 0.003 0.000 0.245 633 D C -1.727 174.640 176.300 0.111 0.000 1.171 633 D CA -1.900 52.200 54.000 0.166 0.000 0.856 633 D CB 1.896 42.870 40.800 0.290 0.000 1.090 633 D HN 0.117 nan 8.370 nan 0.000 0.476 634 P HA -0.118 nan 4.420 nan 0.000 0.217 634 P C 1.608 178.932 177.300 0.040 0.000 1.150 634 P CA 0.355 63.488 63.100 0.055 0.000 0.832 634 P CB 0.457 32.185 31.700 0.047 0.000 0.787 635 V N -0.518 119.419 119.914 0.039 0.000 2.392 635 V HA -0.191 3.931 4.120 0.003 0.000 0.249 635 V C 2.388 178.487 176.094 0.008 0.000 1.059 635 V CA 1.688 63.995 62.300 0.013 0.000 1.051 635 V CB -1.087 30.731 31.823 -0.008 0.000 0.658 635 V HN -0.006 nan 8.190 nan 0.000 0.455 636 V N -0.379 119.557 119.914 0.036 0.000 2.453 636 V HA 0.073 4.195 4.120 0.003 0.000 0.247 636 V C 1.973 178.084 176.094 0.029 0.000 1.048 636 V CA 1.645 63.969 62.300 0.041 0.000 1.049 636 V CB -0.896 31.001 31.823 0.123 0.000 0.672 636 V HN 0.741 nan 8.190 nan 0.000 0.457 637 G N 1.499 110.320 108.800 0.035 0.000 2.620 637 G HA2 -0.376 3.586 3.960 0.003 0.000 0.315 637 G HA3 -0.376 3.586 3.960 0.003 0.000 0.315 637 G C 0.274 175.201 174.900 0.046 0.000 1.179 637 G CA 0.623 45.740 45.100 0.029 0.000 0.971 637 G HN 0.775 nan 8.290 nan 0.000 0.544 638 D N -0.171 120.263 120.400 0.057 0.000 2.908 638 D HA 0.423 5.065 4.640 0.003 0.000 0.361 638 D C 1.115 177.441 176.300 0.043 0.000 1.416 638 D CA -0.319 53.732 54.000 0.086 0.000 0.796 638 D CB 0.007 40.929 40.800 0.203 0.000 1.185 638 D HN 0.524 nan 8.370 nan 0.000 0.451 639 R N -0.343 120.162 120.500 0.008 0.000 2.334 639 R HA 0.444 4.786 4.340 0.003 0.000 0.216 639 R C 0.137 176.409 176.300 -0.047 0.000 0.905 639 R CA 0.157 56.236 56.100 -0.035 0.000 1.064 639 R CB 1.020 31.277 30.300 -0.072 0.000 1.046 639 R HN 0.162 nan 8.270 nan 0.000 0.508 640 L N 0.714 121.922 121.223 -0.024 0.000 2.565 640 L HA 0.490 4.832 4.340 0.003 0.000 0.261 640 L C -1.341 175.507 176.870 -0.037 0.000 0.932 640 L CA -0.719 54.099 54.840 -0.037 0.000 0.878 640 L CB 1.942 43.999 42.059 -0.003 0.000 1.333 640 L HN 0.033 nan 8.230 nan 0.000 0.409 641 R N 2.857 123.314 120.500 -0.071 0.000 2.673 641 R HA 0.680 5.022 4.340 0.003 0.000 0.281 641 R C -1.577 174.653 176.300 -0.118 0.000 0.991 641 R CA -0.734 55.311 56.100 -0.092 0.000 0.896 641 R CB 2.819 33.060 30.300 -0.099 0.000 1.201 641 R HN 0.303 nan 8.270 nan 0.000 0.457 642 V N 4.425 124.264 119.914 -0.124 0.000 2.444 642 V HA 0.558 4.680 4.120 0.003 0.000 0.294 642 V C -0.165 175.866 176.094 -0.107 0.000 1.022 642 V CA -0.671 61.554 62.300 -0.125 0.000 0.850 642 V CB 1.762 33.498 31.823 -0.144 0.000 0.992 642 V HN 0.581 nan 8.190 nan 0.000 0.426 643 I N 4.679 125.191 120.570 -0.097 0.000 2.545 643 I HA 0.455 4.627 4.170 0.003 0.000 0.292 643 I C -0.995 175.096 176.117 -0.043 0.000 1.040 643 I CA -0.470 60.790 61.300 -0.066 0.000 1.068 643 I CB 2.340 40.283 38.000 -0.096 0.000 1.251 643 I HN 0.550 nan 8.210 nan 0.000 0.424 644 F N 6.932 126.816 119.950 -0.110 0.000 2.405 644 F HA 0.501 5.030 4.527 0.003 0.000 0.355 644 F C -0.450 175.299 175.800 -0.085 0.000 1.121 644 F CA -0.549 57.389 58.000 -0.104 0.000 1.112 644 F CB 0.671 39.604 39.000 -0.112 0.000 1.126 644 F HN 0.202 nan 8.300 nan 0.000 0.481 645 L N 6.117 126.951 121.223 -0.648 0.000 2.385 645 L HA 0.165 4.507 4.340 0.003 0.000 0.281 645 L C 0.483 177.157 176.870 -0.327 0.000 1.106 645 L CA -0.084 54.552 54.840 -0.339 0.000 0.856 645 L CB 0.380 42.339 42.059 -0.166 0.000 1.186 645 L HN 0.620 nan 8.230 nan 0.000 0.453 646 E N 4.942 125.042 120.200 -0.166 0.000 2.324 646 E HA -0.071 4.280 4.350 0.003 0.000 0.271 646 E C -0.019 176.615 176.600 0.056 0.000 1.028 646 E CA -0.212 56.197 56.400 0.015 0.000 0.890 646 E CB 0.324 29.932 29.700 -0.153 0.000 1.004 646 E HN 0.590 nan 8.360 nan 0.000 0.431 647 N N 3.589 122.397 118.700 0.180 0.000 2.765 647 N HA -0.250 4.492 4.740 0.003 0.000 0.254 647 N C -1.800 173.807 175.510 0.162 0.000 1.094 647 N CA 0.362 53.522 53.050 0.183 0.000 0.680 647 N CB -1.640 36.950 38.487 0.172 0.000 0.902 647 N HN 0.517 nan 8.380 nan 0.000 0.557 648 Y N 2.366 122.694 120.300 0.047 0.000 2.465 648 Y HA 0.381 4.933 4.550 0.003 0.000 0.331 648 Y C 1.033 176.960 175.900 0.045 0.000 1.102 648 Y CA 0.406 58.518 58.100 0.021 0.000 1.358 648 Y CB 0.373 38.818 38.460 -0.026 0.000 1.213 648 Y HN 0.432 nan 8.280 nan 0.000 0.525 649 R N 2.606 122.718 120.500 -0.646 0.000 2.762 649 R HA 0.450 4.792 4.340 0.003 0.000 0.271 649 R C -0.675 175.231 176.300 -0.657 0.000 1.038 649 R CA -0.640 55.164 56.100 -0.493 0.000 0.906 649 R CB 0.396 30.581 30.300 -0.191 0.000 1.259 649 R HN 0.376 nan 8.270 nan 0.000 0.457 650 V N 1.066 120.587 119.914 -0.654 0.000 2.332 650 V HA -0.267 3.855 4.120 0.003 0.000 0.248 650 V C 2.398 178.326 176.094 -0.278 0.000 1.055 650 V CA 2.766 64.785 62.300 -0.468 0.000 1.038 650 V CB -0.719 30.796 31.823 -0.515 0.000 0.651 650 V HN 0.899 nan 8.190 nan 0.000 0.450 651 S N -0.786 114.767 115.700 -0.246 0.000 2.453 651 S HA -0.027 4.445 4.470 0.003 0.000 0.231 651 S C 1.931 176.451 174.600 -0.134 0.000 1.005 651 S CA 0.928 59.019 58.200 -0.180 0.000 0.949 651 S CB -0.346 62.766 63.200 -0.147 0.000 0.774 651 S HN 0.511 nan 8.310 nan 0.000 0.510 652 L N 0.743 121.888 121.223 -0.129 0.000 2.179 652 L HA 0.109 4.451 4.340 0.003 0.000 0.208 652 L C 2.822 179.690 176.870 -0.003 0.000 1.096 652 L CA 1.091 55.915 54.840 -0.027 0.000 0.779 652 L CB -0.676 41.439 42.059 0.093 0.000 0.922 652 L HN 0.483 nan 8.230 nan 0.000 0.443 653 A N -0.395 122.399 122.820 -0.044 0.000 1.969 653 A HA -0.210 4.112 4.320 0.003 0.000 0.218 653 A C 1.984 179.638 177.584 0.116 0.000 1.169 653 A CA 1.344 53.448 52.037 0.113 0.000 0.635 653 A CB -0.309 18.741 19.000 0.084 0.000 0.810 653 A HN 0.486 nan 8.150 nan 0.000 0.445 654 E N -0.162 120.083 120.200 0.076 0.000 2.150 654 E HA -0.143 4.209 4.350 0.003 0.000 0.193 654 E C 1.803 178.360 176.600 -0.072 0.000 0.985 654 E CA 0.984 57.392 56.400 0.015 0.000 0.814 654 E CB 0.019 29.628 29.700 -0.152 0.000 0.752 654 E HN 0.408 nan 8.360 nan 0.000 0.466 655 K N 0.415 120.743 120.400 -0.120 0.000 2.031 655 K HA -0.048 4.273 4.320 0.003 0.000 0.205 655 K C 2.221 178.547 176.600 -0.457 0.000 1.049 655 K CA 0.671 56.851 56.287 -0.177 0.000 0.939 655 K CB -0.686 31.745 32.500 -0.115 0.000 0.717 655 K HN 0.090 nan 8.250 nan 0.000 0.438 656 V N 1.526 121.110 119.914 -0.549 0.000 2.535 656 V HA -0.040 4.082 4.120 0.003 0.000 0.246 656 V C 2.094 177.948 176.094 -0.400 0.000 1.045 656 V CA 0.694 62.499 62.300 -0.826 0.000 1.058 656 V CB -0.138 31.390 31.823 -0.492 0.000 0.689 656 V HN 0.150 nan 8.190 nan 0.000 0.461 657 I N 1.790 122.174 120.570 -0.310 0.000 2.286 657 I HA -0.094 4.078 4.170 0.003 0.000 0.248 657 I C -0.116 175.867 176.117 -0.223 0.000 1.115 657 I CA 1.636 62.679 61.300 -0.429 0.000 1.392 657 I CB -1.473 36.153 38.000 -0.624 0.000 1.065 657 I HN 0.397 nan 8.210 nan 0.000 0.418 658 P HA -0.093 nan 4.420 nan 0.000 0.226 658 P C 0.989 178.271 177.300 -0.030 0.000 1.153 658 P CA 1.343 64.407 63.100 -0.060 0.000 0.777 658 P CB 0.125 31.799 31.700 -0.044 0.000 0.794 659 A N -0.484 122.301 122.820 -0.059 0.000 2.238 659 A HA 0.466 4.788 4.320 0.003 0.000 0.210 659 A C 1.364 179.037 177.584 0.149 0.000 1.179 659 A CA 0.150 52.206 52.037 0.032 0.000 0.827 659 A CB -0.541 18.470 19.000 0.018 0.000 0.856 659 A HN 0.253 nan 8.150 nan 0.000 0.488 660 A N -0.053 122.869 122.820 0.170 0.000 2.371 660 A HA 0.439 4.761 4.320 0.003 0.000 0.257 660 A C 0.414 178.149 177.584 0.252 0.000 1.089 660 A CA -0.031 52.169 52.037 0.272 0.000 0.794 660 A CB 0.305 19.568 19.000 0.438 0.000 1.029 660 A HN 0.299 nan 8.150 nan 0.000 0.488 661 D N 0.418 120.960 120.400 0.237 0.000 2.431 661 D HA 0.142 4.784 4.640 0.003 0.000 0.235 661 D C 0.047 176.560 176.300 0.354 0.000 0.980 661 D CA 0.703 54.913 54.000 0.349 0.000 0.912 661 D CB 0.300 41.159 40.800 0.098 0.000 1.056 661 D HN 0.375 nan 8.370 nan 0.000 0.494 662 L N 0.907 122.205 121.223 0.126 0.000 2.362 662 L HA 0.298 4.640 4.340 0.003 0.000 0.275 662 L C -0.770 175.964 176.870 -0.227 0.000 0.998 662 L CA -0.335 54.492 54.840 -0.020 0.000 0.820 662 L CB 2.248 44.261 42.059 -0.078 0.000 1.270 662 L HN -0.186 nan 8.230 nan 0.000 0.415 663 S N 3.812 119.290 115.700 -0.370 0.000 2.438 663 S HA 0.324 4.796 4.470 0.003 0.000 0.316 663 S C -0.472 173.846 174.600 -0.469 0.000 1.084 663 S CA -0.691 57.041 58.200 -0.780 0.000 1.107 663 S CB 0.706 63.426 63.200 -0.800 0.000 0.981 663 S HN 0.533 nan 8.310 nan 0.000 0.466 664 E N 3.906 123.849 120.200 -0.428 0.000 2.105 664 E HA 0.199 4.551 4.350 0.003 0.000 0.285 664 E C -0.569 175.928 176.600 -0.173 0.000 1.055 664 E CA -0.371 55.908 56.400 -0.201 0.000 0.843 664 E CB 0.991 30.603 29.700 -0.147 0.000 1.067 664 E HN 0.572 nan 8.360 nan 0.000 0.398 665 Q N 2.702 122.455 119.800 -0.079 0.000 2.907 665 Q HA 0.272 4.614 4.340 0.003 0.000 0.262 665 Q C 0.422 176.407 176.000 -0.026 0.000 0.997 665 Q CA -0.163 55.603 55.803 -0.063 0.000 0.797 665 Q CB 0.175 28.895 28.738 -0.029 0.000 1.228 665 Q HN 0.587 nan 8.270 nan 0.000 0.466 666 I N -1.443 119.099 120.570 -0.046 0.000 3.399 666 I HA 0.321 4.492 4.170 0.003 0.000 0.345 666 I C 0.252 176.307 176.117 -0.104 0.000 1.512 666 I CA -0.711 60.571 61.300 -0.030 0.000 1.047 666 I CB 0.366 38.396 38.000 0.049 0.000 1.552 666 I HN -0.016 nan 8.210 nan 0.000 0.494 667 S N 0.090 115.722 115.700 -0.114 0.000 2.592 667 S HA 0.302 4.774 4.470 0.003 0.000 0.271 667 S C 0.544 175.106 174.600 -0.063 0.000 1.326 667 S CA -0.402 57.742 58.200 -0.092 0.000 1.024 667 S CB 0.703 63.887 63.200 -0.027 0.000 0.921 667 S HN 0.390 nan 8.310 nan 0.000 0.527 668 T N 2.703 117.256 114.554 -0.002 0.000 2.908 668 T HA 0.347 4.699 4.350 0.003 0.000 0.301 668 T C 0.739 175.442 174.700 0.005 0.000 1.019 668 T CA 0.250 62.361 62.100 0.020 0.000 1.152 668 T CB -0.044 68.912 68.868 0.146 0.000 0.966 668 T HN 0.991 nan 8.240 nan 0.000 0.540 669 A N 2.667 125.462 122.820 -0.042 0.000 2.566 669 A HA 0.463 4.784 4.320 0.003 0.000 0.245 669 A C 1.642 179.220 177.584 -0.010 0.000 1.056 669 A CA 0.289 52.301 52.037 -0.042 0.000 0.757 669 A CB -0.882 18.083 19.000 -0.058 0.000 0.979 669 A HN 1.651 nan 8.150 nan 0.000 0.508 670 G N 1.425 110.220 108.800 -0.007 0.000 2.195 670 G HA2 -0.250 3.712 3.960 0.003 0.000 0.224 670 G HA3 -0.250 3.712 3.960 0.003 0.000 0.224 670 G C 0.953 175.851 174.900 -0.004 0.000 0.990 670 G CA 1.032 46.130 45.100 -0.003 0.000 0.639 670 G HN 1.965 nan 8.290 nan 0.000 0.514 671 T N -2.203 112.360 114.554 0.014 0.000 3.037 671 T HA 0.446 4.798 4.350 0.003 0.000 0.251 671 T C 0.636 175.256 174.700 -0.133 0.000 1.079 671 T CA 1.165 63.230 62.100 -0.058 0.000 1.067 671 T CB 0.720 69.626 68.868 0.064 0.000 0.948 671 T HN 0.339 nan 8.240 nan 0.000 0.496 672 E N 0.918 121.136 120.200 0.029 0.000 2.092 672 E HA 0.710 5.062 4.350 0.003 0.000 0.271 672 E C 0.976 177.548 176.600 -0.047 0.000 0.919 672 E CA -0.192 56.265 56.400 0.094 0.000 0.760 672 E CB 1.091 30.866 29.700 0.126 0.000 1.106 672 E HN 0.196 nan 8.360 nan 0.000 0.408 673 A N 3.338 126.062 122.820 -0.160 0.000 1.940 673 A HA -0.134 4.188 4.320 0.003 0.000 0.219 673 A C 1.852 179.330 177.584 -0.177 0.000 1.176 673 A CA 2.065 53.898 52.037 -0.339 0.000 0.631 673 A CB -0.115 18.468 19.000 -0.694 0.000 0.814 673 A HN 0.601 nan 8.150 nan 0.000 0.446 674 S N -4.284 111.365 115.700 -0.085 0.000 3.798 674 S HA 0.420 4.892 4.470 0.003 0.000 0.227 674 S C 0.766 175.357 174.600 -0.014 0.000 1.126 674 S CA 1.345 59.531 58.200 -0.023 0.000 1.030 674 S CB -0.456 62.751 63.200 0.012 0.000 1.189 674 S HN 2.272 nan 8.310 nan 0.000 0.464 675 G N 0.094 108.892 108.800 -0.003 0.000 2.787 675 G HA2 -0.017 3.945 3.960 0.003 0.000 0.685 675 G HA3 -0.017 3.945 3.960 0.003 0.000 0.685 675 G C 0.127 175.021 174.900 -0.011 0.000 1.437 675 G CA 0.312 45.408 45.100 -0.007 0.000 0.872 675 G HN 0.966 nan 8.290 nan 0.000 0.566 676 T N -0.579 113.957 114.554 -0.031 0.000 3.285 676 T HA 0.234 4.586 4.350 0.003 0.000 0.263 676 T C 2.158 176.781 174.700 -0.127 0.000 0.836 676 T CA 1.452 63.518 62.100 -0.056 0.000 0.849 676 T CB -0.618 68.234 68.868 -0.028 0.000 1.252 676 T HN 1.711 nan 8.240 nan 0.000 0.617 677 G N 2.708 111.454 108.800 -0.091 0.000 2.422 677 G HA2 -0.202 3.760 3.960 0.003 0.000 0.218 677 G HA3 -0.202 3.760 3.960 0.003 0.000 0.218 677 G C 1.456 176.395 174.900 0.066 0.000 1.140 677 G CA 1.381 46.430 45.100 -0.085 0.000 0.775 677 G HN 0.620 nan 8.290 nan 0.000 0.545 678 N N 1.407 120.143 118.700 0.059 0.000 2.061 678 N HA -0.187 4.555 4.740 0.003 0.000 0.193 678 N C 2.034 177.562 175.510 0.031 0.000 1.030 678 N CA 1.881 54.973 53.050 0.071 0.000 0.856 678 N CB -0.795 37.687 38.487 -0.009 0.000 1.023 678 N HN 0.394 nan 8.380 nan 0.000 0.424 679 M N 0.166 119.716 119.600 -0.084 0.000 2.229 679 M HA -0.003 4.478 4.480 0.003 0.000 0.264 679 M C 1.924 178.181 176.300 -0.072 0.000 1.063 679 M CA 1.447 56.684 55.300 -0.104 0.000 1.114 679 M CB -0.212 32.340 32.600 -0.079 0.000 1.387 679 M HN 0.142 nan 8.290 nan 0.000 0.420 680 K N -0.083 120.198 120.400 -0.199 0.000 2.103 680 K HA -0.054 4.268 4.320 0.003 0.000 0.204 680 K C 1.685 178.135 176.600 -0.250 0.000 1.052 680 K CA 1.214 57.300 56.287 -0.335 0.000 0.945 680 K CB -0.218 31.830 32.500 -0.753 0.000 0.722 680 K HN 0.139 nan 8.250 nan 0.000 0.443 681 F N 1.304 121.181 119.950 -0.121 0.000 2.134 681 F HA -0.137 4.392 4.527 0.003 0.000 0.299 681 F C 2.542 178.315 175.800 -0.045 0.000 1.097 681 F CA 1.244 59.199 58.000 -0.075 0.000 1.264 681 F CB -0.307 38.642 39.000 -0.087 0.000 1.001 681 F HN -0.005 nan 8.300 nan 0.000 0.479 682 M N -0.439 119.245 119.600 0.140 0.000 2.132 682 M HA -0.187 4.294 4.480 0.003 0.000 0.263 682 M C 2.078 178.432 176.300 0.089 0.000 1.065 682 M CA 1.645 57.004 55.300 0.099 0.000 1.122 682 M CB -0.295 32.362 32.600 0.096 0.000 1.365 682 M HN 0.240 nan 8.290 nan 0.000 0.411 683 L N 0.098 121.370 121.223 0.082 0.000 2.376 683 L HA -0.123 4.219 4.340 0.003 0.000 0.219 683 L C 1.064 177.973 176.870 0.066 0.000 1.133 683 L CA 0.795 55.688 54.840 0.089 0.000 0.816 683 L CB -0.291 41.831 42.059 0.105 0.000 0.933 683 L HN 0.421 nan 8.230 nan 0.000 0.449 684 N N -0.204 118.524 118.700 0.047 0.000 2.214 684 N HA 0.101 4.843 4.740 0.003 0.000 0.214 684 N C 0.510 176.051 175.510 0.052 0.000 1.132 684 N CA 0.775 53.847 53.050 0.036 0.000 0.856 684 N CB 1.012 39.497 38.487 -0.003 0.000 1.020 684 N HN 0.282 nan 8.380 nan 0.000 0.509 685 G N 1.037 109.873 108.800 0.061 0.000 2.370 685 G HA2 -0.087 3.875 3.960 0.003 0.000 0.268 685 G HA3 -0.087 3.875 3.960 0.003 0.000 0.268 685 G C -0.366 174.604 174.900 0.117 0.000 1.122 685 G CA 0.065 45.202 45.100 0.062 0.000 0.963 685 G HN 0.479 nan 8.290 nan 0.000 0.500 686 A N 0.307 123.188 122.820 0.101 0.000 2.449 686 A HA 0.888 5.210 4.320 0.003 0.000 0.302 686 A C 0.042 177.606 177.584 -0.032 0.000 1.048 686 A CA -0.734 51.388 52.037 0.141 0.000 0.708 686 A CB 1.416 20.573 19.000 0.261 0.000 1.274 686 A HN 0.831 nan 8.150 nan 0.000 0.410 687 L N 0.858 122.012 121.223 -0.115 0.000 2.416 687 L HA 0.570 4.912 4.340 0.003 0.000 0.262 687 L C 0.188 176.928 176.870 -0.218 0.000 1.093 687 L CA -0.469 54.232 54.840 -0.231 0.000 0.801 687 L CB 1.660 43.592 42.059 -0.212 0.000 1.191 687 L HN 0.719 nan 8.230 nan 0.000 0.459 688 T N 2.158 116.449 114.554 -0.438 0.000 2.807 688 T HA 0.480 4.831 4.350 0.003 0.000 0.279 688 T C -0.493 174.049 174.700 -0.264 0.000 0.993 688 T CA -0.295 61.520 62.100 -0.475 0.000 0.970 688 T CB 1.784 70.151 68.868 -0.836 0.000 0.950 688 T HN 0.376 nan 8.240 nan 0.000 0.441 689 I N 2.653 123.174 120.570 -0.082 0.000 2.339 689 I HA 0.728 4.900 4.170 0.003 0.000 0.290 689 I C 0.022 176.279 176.117 0.233 0.000 0.994 689 I CA 0.068 61.439 61.300 0.118 0.000 1.191 689 I CB 0.295 38.301 38.000 0.010 0.000 1.343 689 I HN 0.793 nan 8.210 nan 0.000 0.458 690 G N 4.027 113.027 108.800 0.334 0.000 2.576 690 G HA2 0.459 4.421 3.960 0.003 0.000 0.290 690 G HA3 0.459 4.421 3.960 0.003 0.000 0.290 690 G C -0.873 173.978 174.900 -0.081 0.000 1.442 690 G CA -0.312 44.895 45.100 0.178 0.000 0.792 690 G HN 0.607 nan 8.290 nan 0.000 0.491 691 T N -1.602 112.754 114.554 -0.330 0.000 2.824 691 T HA 0.564 4.916 4.350 0.003 0.000 0.277 691 T C 0.637 175.234 174.700 -0.172 0.000 0.975 691 T CA -0.697 61.157 62.100 -0.410 0.000 0.966 691 T CB 1.132 69.724 68.868 -0.461 0.000 1.054 691 T HN 0.260 nan 8.240 nan 0.000 0.533 692 M N 2.566 122.075 119.600 -0.151 0.000 3.176 692 M HA 0.362 4.844 4.480 0.003 0.000 0.284 692 M C -0.724 175.523 176.300 -0.088 0.000 1.392 692 M CA -0.162 55.076 55.300 -0.104 0.000 1.520 692 M CB -1.269 31.279 32.600 -0.086 0.000 1.100 692 M HN 0.701 nan 8.290 nan 0.000 0.555 693 D N 0.170 120.521 120.400 -0.081 0.000 2.780 693 D HA 0.663 5.305 4.640 0.003 0.000 0.242 693 D C 0.734 177.008 176.300 -0.044 0.000 1.135 693 D CA 0.748 54.715 54.000 -0.055 0.000 0.859 693 D CB 1.831 42.602 40.800 -0.049 0.000 1.530 693 D HN 0.642 nan 8.370 nan 0.000 0.493 694 G N 2.457 111.241 108.800 -0.027 0.000 2.622 694 G HA2 -0.276 3.686 3.960 0.003 0.000 0.307 694 G HA3 -0.276 3.686 3.960 0.003 0.000 0.307 694 G C 0.970 175.854 174.900 -0.027 0.000 1.226 694 G CA 0.934 46.023 45.100 -0.019 0.000 0.997 694 G HN 1.043 nan 8.290 nan 0.000 0.551 695 A N 0.130 122.926 122.820 -0.040 0.000 2.238 695 A HA 0.259 4.581 4.320 0.003 0.000 0.208 695 A C 1.942 179.434 177.584 -0.153 0.000 1.177 695 A CA 1.546 53.544 52.037 -0.065 0.000 0.804 695 A CB -0.351 18.604 19.000 -0.075 0.000 0.823 695 A HN 0.548 nan 8.150 nan 0.000 0.482 696 N N 0.179 118.801 118.700 -0.130 0.000 2.309 696 N HA -0.100 4.642 4.740 0.003 0.000 0.182 696 N C 1.543 176.870 175.510 -0.305 0.000 1.018 696 N CA 1.286 54.228 53.050 -0.179 0.000 0.876 696 N CB -0.366 38.089 38.487 -0.053 0.000 0.972 696 N HN 0.276 nan 8.380 nan 0.000 0.434 697 V N 1.477 121.280 119.914 -0.185 0.000 2.270 697 V HA -0.196 3.925 4.120 0.003 0.000 0.245 697 V C 1.937 177.941 176.094 -0.150 0.000 1.043 697 V CA 1.638 63.841 62.300 -0.162 0.000 1.014 697 V CB -0.450 31.322 31.823 -0.085 0.000 0.645 697 V HN 0.316 nan 8.190 nan 0.000 0.447 698 E N -0.552 119.607 120.200 -0.068 0.000 2.204 698 E HA -0.182 4.170 4.350 0.003 0.000 0.194 698 E C 2.165 178.810 176.600 0.075 0.000 0.989 698 E CA 1.186 57.614 56.400 0.045 0.000 0.824 698 E CB -0.190 29.622 29.700 0.187 0.000 0.756 698 E HN 0.546 nan 8.360 nan 0.000 0.477 699 M N 0.345 119.859 119.600 -0.142 0.000 2.156 699 M HA -0.095 4.387 4.480 0.003 0.000 0.264 699 M C 2.476 178.536 176.300 -0.400 0.000 1.067 699 M CA 1.364 56.514 55.300 -0.249 0.000 1.131 699 M CB -0.115 32.179 32.600 -0.509 0.000 1.368 699 M HN 0.134 nan 8.290 nan 0.000 0.416 700 A N 0.144 122.481 122.820 -0.804 0.000 1.902 700 A HA -0.228 4.094 4.320 0.003 0.000 0.217 700 A C 2.002 179.413 177.584 -0.289 0.000 1.181 700 A CA 2.019 53.561 52.037 -0.824 0.000 0.623 700 A CB -0.841 17.707 19.000 -0.753 0.000 0.818 700 A HN 0.592 nan 8.150 nan 0.000 0.443 701 E N -0.405 119.680 120.200 -0.193 0.000 2.110 701 E HA -0.221 4.131 4.350 0.003 0.000 0.193 701 E C 1.707 178.293 176.600 -0.025 0.000 0.988 701 E CA 1.294 57.645 56.400 -0.080 0.000 0.804 701 E CB -0.091 29.577 29.700 -0.054 0.000 0.745 701 E HN 0.565 nan 8.360 nan 0.000 0.458 702 E N 0.095 120.310 120.200 0.025 0.000 2.107 702 E HA -0.108 4.244 4.350 0.003 0.000 0.191 702 E C 1.817 178.451 176.600 0.057 0.000 0.982 702 E CA 1.076 57.515 56.400 0.066 0.000 0.809 702 E CB -0.095 29.711 29.700 0.177 0.000 0.756 702 E HN 0.374 nan 8.360 nan 0.000 0.459 703 A N 0.458 123.313 122.820 0.058 0.000 2.132 703 A HA 0.350 4.672 4.320 0.003 0.000 0.213 703 A C 1.029 178.637 177.584 0.039 0.000 1.154 703 A CA 0.969 53.053 52.037 0.078 0.000 0.753 703 A CB 0.010 19.110 19.000 0.167 0.000 0.826 703 A HN 0.227 nan 8.150 nan 0.000 0.469 704 G N -0.497 108.306 108.800 0.005 0.000 3.190 704 G HA2 -0.123 3.839 3.960 0.003 0.000 0.686 704 G HA3 -0.123 3.839 3.960 0.003 0.000 0.686 704 G C 0.093 174.986 174.900 -0.012 0.000 1.033 704 G CA 0.040 45.134 45.100 -0.010 0.000 0.797 704 G HN 0.214 nan 8.290 nan 0.000 0.567 705 E N 0.926 121.108 120.200 -0.030 0.000 2.171 705 E HA -0.226 4.126 4.350 0.003 0.000 0.197 705 E C 2.156 178.748 176.600 -0.014 0.000 0.997 705 E CA 1.941 58.329 56.400 -0.020 0.000 0.810 705 E CB 0.093 29.778 29.700 -0.024 0.000 0.738 705 E HN 0.783 nan 8.360 nan 0.000 0.467 706 E N 0.467 120.645 120.200 -0.037 0.000 2.265 706 E HA -0.127 4.225 4.350 0.003 0.000 0.196 706 E C 1.193 177.712 176.600 -0.135 0.000 0.996 706 E CA 0.714 57.069 56.400 -0.074 0.000 0.832 706 E CB -0.063 29.603 29.700 -0.057 0.000 0.756 706 E HN 0.155 nan 8.360 nan 0.000 0.491 707 N N -0.598 118.051 118.700 -0.085 0.000 2.230 707 N HA 0.107 4.849 4.740 0.003 0.000 0.202 707 N C -0.875 174.538 175.510 -0.162 0.000 1.119 707 N CA 0.118 53.091 53.050 -0.129 0.000 0.851 707 N CB 0.413 38.881 38.487 -0.032 0.000 0.990 707 N HN 0.056 nan 8.380 nan 0.000 0.497 708 F N -0.259 119.491 119.950 -0.334 0.000 2.551 708 F HA 0.376 4.905 4.527 0.002 0.000 0.316 708 F C -0.491 175.107 175.800 -0.337 0.000 1.089 708 F CA -1.066 56.778 58.000 -0.260 0.000 0.915 708 F CB 1.132 40.062 39.000 -0.116 0.000 1.186 708 F HN -0.207 nan 8.300 nan 0.000 0.456 709 F N 5.684 125.599 119.950 -0.057 0.000 2.573 709 F HA 0.286 4.814 4.527 0.002 0.000 0.349 709 F C 0.082 175.992 175.800 0.183 0.000 1.213 709 F CA -0.487 57.535 58.000 0.036 0.000 1.300 709 F CB -0.479 38.492 39.000 -0.047 0.000 1.661 709 F HN 0.042 nan 8.300 nan 0.000 0.616 710 I N 3.592 124.370 120.570 0.345 0.000 2.533 710 I HA 0.051 4.223 4.170 0.003 0.000 0.284 710 I C 0.170 176.481 176.117 0.323 0.000 1.109 710 I CA 0.034 61.505 61.300 0.285 0.000 1.412 710 I CB -0.515 37.581 38.000 0.161 0.000 1.396 710 I HN 0.285 nan 8.210 nan 0.000 0.543 711 F N 3.416 123.440 119.950 0.123 0.000 2.764 711 F HA 0.895 5.423 4.527 0.002 0.000 0.347 711 F C 0.553 176.402 175.800 0.082 0.000 1.151 711 F CA -0.510 57.552 58.000 0.102 0.000 1.021 711 F CB 0.401 39.474 39.000 0.121 0.000 1.438 711 F HN 0.720 nan 8.300 nan 0.000 0.516 712 G N 0.669 109.642 108.800 0.287 0.000 2.682 712 G HA2 -0.255 3.707 3.960 0.003 0.000 0.256 712 G HA3 -0.255 3.707 3.960 0.003 0.000 0.256 712 G C -0.569 174.335 174.900 0.007 0.000 1.333 712 G CA -0.167 45.013 45.100 0.134 0.000 0.904 712 G HN 0.976 nan 8.290 nan 0.000 0.569 713 M N 0.099 119.698 119.600 -0.002 0.000 2.245 713 M HA 0.355 4.837 4.480 0.003 0.000 0.344 713 M C 0.996 177.266 176.300 -0.051 0.000 1.170 713 M CA 0.413 55.709 55.300 -0.006 0.000 1.135 713 M CB 0.523 33.126 32.600 0.005 0.000 1.574 713 M HN 0.590 nan 8.290 nan 0.000 0.452 714 R N 1.076 121.560 120.500 -0.025 0.000 2.674 714 R HA 0.371 4.713 4.340 0.003 0.000 0.266 714 R C 0.836 177.122 176.300 -0.023 0.000 1.016 714 R CA -0.569 55.512 56.100 -0.032 0.000 1.062 714 R CB 1.229 31.518 30.300 -0.019 0.000 1.142 714 R HN 0.594 nan 8.270 nan 0.000 0.517 715 V N 1.477 121.375 119.914 -0.026 0.000 2.287 715 V HA -0.260 3.861 4.120 0.003 0.000 0.248 715 V C 2.262 178.348 176.094 -0.013 0.000 1.053 715 V CA 2.138 64.426 62.300 -0.021 0.000 1.027 715 V CB -0.554 31.255 31.823 -0.024 0.000 0.646 715 V HN 0.836 nan 8.190 nan 0.000 0.447 716 E N 0.402 120.596 120.200 -0.010 0.000 2.147 716 E HA -0.310 4.042 4.350 0.003 0.000 0.199 716 E C 1.745 178.350 176.600 0.008 0.000 1.005 716 E CA 2.020 58.419 56.400 -0.002 0.000 0.810 716 E CB -0.257 29.443 29.700 -0.001 0.000 0.736 716 E HN 0.673 nan 8.360 nan 0.000 0.460 717 D N 0.032 120.439 120.400 0.012 0.000 2.194 717 D HA -0.081 4.560 4.640 0.003 0.000 0.204 717 D C 2.124 178.441 176.300 0.028 0.000 0.964 717 D CA 0.659 54.675 54.000 0.028 0.000 0.846 717 D CB 0.053 40.875 40.800 0.037 0.000 0.962 717 D HN 0.129 nan 8.370 nan 0.000 0.490 718 V N 1.860 121.779 119.914 0.007 0.000 2.358 718 V HA -0.190 3.932 4.120 0.003 0.000 0.246 718 V C 1.819 177.913 176.094 -0.000 0.000 1.047 718 V CA 1.620 63.916 62.300 -0.007 0.000 1.035 718 V CB -0.281 31.527 31.823 -0.024 0.000 0.658 718 V HN 0.012 nan 8.190 nan 0.000 0.452 719 D N -0.226 120.175 120.400 0.001 0.000 2.144 719 D HA -0.126 4.516 4.640 0.003 0.000 0.199 719 D C 2.366 178.678 176.300 0.019 0.000 0.984 719 D CA 0.826 54.829 54.000 0.004 0.000 0.834 719 D CB -0.259 40.540 40.800 -0.002 0.000 0.955 719 D HN 0.310 nan 8.370 nan 0.000 0.465 720 R N 0.512 121.030 120.500 0.029 0.000 2.080 720 R HA -0.107 4.235 4.340 0.003 0.000 0.236 720 R C 2.334 178.671 176.300 0.061 0.000 1.137 720 R CA 0.449 56.575 56.100 0.042 0.000 0.943 720 R CB -1.440 28.889 30.300 0.049 0.000 0.846 720 R HN 0.243 nan 8.270 nan 0.000 0.431 721 L N 2.115 123.385 121.223 0.077 0.000 2.042 721 L HA -0.173 4.169 4.340 0.003 0.000 0.210 721 L C 1.562 178.501 176.870 0.116 0.000 1.076 721 L CA 1.912 56.825 54.840 0.122 0.000 0.749 721 L CB -0.777 41.365 42.059 0.138 0.000 0.893 721 L HN 0.058 nan 8.230 nan 0.000 0.432 722 D N -0.554 119.887 120.400 0.067 0.000 2.092 722 D HA -0.239 4.403 4.640 0.003 0.000 0.193 722 D C 2.181 178.515 176.300 0.057 0.000 0.994 722 D CA 1.585 55.616 54.000 0.052 0.000 0.828 722 D CB -0.162 40.648 40.800 0.017 0.000 0.963 722 D HN 0.523 nan 8.370 nan 0.000 0.450 723 Q N -0.484 119.343 119.800 0.045 0.000 2.364 723 Q HA -0.133 4.209 4.340 0.003 0.000 0.209 723 Q C 1.790 177.818 176.000 0.047 0.000 0.977 723 Q CA 0.926 56.752 55.803 0.039 0.000 0.885 723 Q CB 0.067 28.823 28.738 0.030 0.000 0.941 723 Q HN 0.305 nan 8.270 nan 0.000 0.464 724 R N -1.164 119.375 120.500 0.065 0.000 2.404 724 R HA 0.292 4.634 4.340 0.003 0.000 0.237 724 R C 0.208 176.556 176.300 0.079 0.000 0.907 724 R CA 0.473 56.612 56.100 0.066 0.000 1.063 724 R CB 0.567 30.909 30.300 0.070 0.000 1.134 724 R HN -0.010 nan 8.270 nan 0.000 0.529 725 G N 0.774 109.635 108.800 0.100 0.000 3.019 725 G HA2 -0.284 3.678 3.960 0.003 0.000 0.686 725 G HA3 -0.284 3.678 3.960 0.003 0.000 0.686 725 G C -1.489 173.521 174.900 0.182 0.000 1.056 725 G CA -0.249 44.924 45.100 0.121 0.000 0.774 725 G HN 0.295 nan 8.290 nan 0.000 0.583 726 Y N 3.337 123.683 120.300 0.076 0.000 2.367 726 Y HA 0.593 5.145 4.550 0.003 0.000 0.342 726 Y C 0.381 176.352 175.900 0.117 0.000 0.979 726 Y CA -1.028 57.141 58.100 0.114 0.000 1.161 726 Y CB 0.913 39.413 38.460 0.067 0.000 1.155 726 Y HN 0.671 nan 8.280 nan 0.000 0.503 727 N N 4.251 122.808 118.700 -0.238 0.000 2.407 727 N HA 0.472 5.214 4.740 0.003 0.000 0.277 727 N C 0.072 175.371 175.510 -0.353 0.000 0.995 727 N CA 0.044 52.949 53.050 -0.243 0.000 0.903 727 N CB 1.457 39.904 38.487 -0.067 0.000 1.218 727 N HN 0.809 nan 8.380 nan 0.000 0.487 728 A N 2.831 125.384 122.820 -0.445 0.000 2.067 728 A HA -0.109 4.213 4.320 0.003 0.000 0.217 728 A C 1.925 179.649 177.584 0.234 0.000 1.156 728 A CA 0.826 52.754 52.037 -0.182 0.000 0.683 728 A CB -0.224 18.575 19.000 -0.334 0.000 0.808 728 A HN 0.790 nan 8.150 nan 0.000 0.455 729 Q N 1.079 120.920 119.800 0.069 0.000 2.167 729 Q HA -0.188 4.154 4.340 0.003 0.000 0.202 729 Q C 1.783 177.872 176.000 0.149 0.000 0.970 729 Q CA 1.954 57.822 55.803 0.109 0.000 0.855 729 Q CB -0.380 28.370 28.738 0.020 0.000 0.911 729 Q HN 0.839 nan 8.270 nan 0.000 0.438 730 E N -1.599 118.637 120.200 0.059 0.000 2.409 730 E HA -0.207 4.144 4.350 0.003 0.000 0.198 730 E C 1.023 177.555 176.600 -0.112 0.000 1.024 730 E CA 0.954 57.324 56.400 -0.050 0.000 0.861 730 E CB -0.285 29.322 29.700 -0.155 0.000 0.788 730 E HN 0.501 nan 8.360 nan 0.000 0.521 731 Y N -0.516 119.848 120.300 0.107 0.000 2.301 731 Y HA -0.053 4.498 4.550 0.003 0.000 0.295 731 Y C 2.165 178.078 175.900 0.022 0.000 1.119 731 Y CA 0.830 58.990 58.100 0.099 0.000 1.162 731 Y CB -0.457 38.124 38.460 0.201 0.000 1.046 731 Y HN 0.047 nan 8.280 nan 0.000 0.538 732 Y N 1.410 121.752 120.300 0.071 0.000 2.151 732 Y HA -0.309 4.244 4.550 0.003 0.000 0.284 732 Y C 1.827 177.694 175.900 -0.055 0.000 1.166 732 Y CA 1.982 60.033 58.100 -0.081 0.000 1.163 732 Y CB -0.301 38.171 38.460 0.020 0.000 0.974 732 Y HN 0.095 nan 8.280 nan 0.000 0.511 733 D N -0.145 120.351 120.400 0.159 0.000 2.091 733 D HA -0.137 4.504 4.640 0.003 0.000 0.199 733 D C 1.867 178.150 176.300 -0.029 0.000 0.980 733 D CA 1.754 55.791 54.000 0.062 0.000 0.831 733 D CB -0.362 40.487 40.800 0.083 0.000 0.987 733 D HN 0.565 nan 8.370 nan 0.000 0.460 734 R N 0.403 120.889 120.500 -0.024 0.000 2.335 734 R HA 0.240 4.582 4.340 0.003 0.000 0.223 734 R C -0.046 176.237 176.300 -0.029 0.000 0.940 734 R CA 0.143 56.223 56.100 -0.033 0.000 1.086 734 R CB -0.233 30.044 30.300 -0.039 0.000 1.073 734 R HN 0.093 nan 8.270 nan 0.000 0.504 735 I N 0.726 121.259 120.570 -0.063 0.000 2.531 735 I HA 0.271 4.443 4.170 0.003 0.000 0.283 735 I C -2.218 173.815 176.117 -0.139 0.000 1.083 735 I CA -2.597 58.672 61.300 -0.052 0.000 1.071 735 I CB 2.882 40.884 38.000 0.004 0.000 1.210 735 I HN -0.172 nan 8.210 nan 0.000 0.450 736 P HA -0.060 nan 4.420 nan 0.000 0.217 736 P C 0.952 178.176 177.300 -0.126 0.000 1.151 736 P CA 1.127 64.144 63.100 -0.138 0.000 0.828 736 P CB 0.383 32.029 31.700 -0.090 0.000 0.788 737 E N -0.787 119.383 120.200 -0.050 0.000 2.106 737 E HA -0.137 4.215 4.350 0.003 0.000 0.192 737 E C 1.785 178.326 176.600 -0.097 0.000 0.984 737 E CA 0.600 56.991 56.400 -0.015 0.000 0.806 737 E CB -0.956 28.813 29.700 0.115 0.000 0.750 737 E HN 0.084 nan 8.360 nan 0.000 0.458 738 L N 1.155 122.240 121.223 -0.230 0.000 1.955 738 L HA -0.177 4.164 4.340 0.003 0.000 0.213 738 L C 2.250 178.892 176.870 -0.379 0.000 1.072 738 L CA 1.896 56.439 54.840 -0.494 0.000 0.755 738 L CB -0.494 41.140 42.059 -0.708 0.000 0.888 738 L HN -0.019 nan 8.230 nan 0.000 0.432 739 R N -0.821 119.390 120.500 -0.483 0.000 2.165 739 R HA -0.300 4.042 4.340 0.003 0.000 0.254 739 R C 2.403 178.545 176.300 -0.263 0.000 1.153 739 R CA 2.449 58.158 56.100 -0.651 0.000 0.971 739 R CB -0.436 29.423 30.300 -0.736 0.000 0.878 739 R HN 0.646 nan 8.270 nan 0.000 0.449 740 Q N -0.129 119.562 119.800 -0.181 0.000 2.119 740 Q HA -0.136 4.206 4.340 0.003 0.000 0.201 740 Q C 2.069 178.057 176.000 -0.020 0.000 0.972 740 Q CA 1.081 56.829 55.803 -0.092 0.000 0.847 740 Q CB 0.117 28.801 28.738 -0.089 0.000 0.903 740 Q HN 0.324 nan 8.270 nan 0.000 0.433 741 I N 1.185 121.751 120.570 -0.006 0.000 2.113 741 I HA -0.299 3.873 4.170 0.003 0.000 0.238 741 I C 2.426 178.624 176.117 0.135 0.000 1.070 741 I CA 1.065 62.416 61.300 0.085 0.000 1.332 741 I CB -1.314 36.704 38.000 0.030 0.000 1.044 741 I HN 0.273 nan 8.210 nan 0.000 0.402 742 I N 0.913 121.555 120.570 0.120 0.000 2.151 742 I HA -0.256 3.916 4.170 0.003 0.000 0.243 742 I C 2.514 178.755 176.117 0.205 0.000 1.080 742 I CA 1.543 62.969 61.300 0.210 0.000 1.339 742 I CB -1.285 36.929 38.000 0.356 0.000 1.039 742 I HN 0.306 nan 8.210 nan 0.000 0.409 743 E N 0.373 120.678 120.200 0.176 0.000 2.268 743 E HA -0.177 4.175 4.350 0.003 0.000 0.195 743 E C 2.147 178.821 176.600 0.123 0.000 0.995 743 E CA 0.643 57.128 56.400 0.142 0.000 0.836 743 E CB -0.086 29.673 29.700 0.099 0.000 0.763 743 E HN 0.620 nan 8.360 nan 0.000 0.491 744 Q N -0.175 119.704 119.800 0.132 0.000 2.187 744 Q HA 0.027 4.369 4.340 0.003 0.000 0.199 744 Q C 2.351 178.535 176.000 0.307 0.000 0.957 744 Q CA 0.485 56.385 55.803 0.161 0.000 0.857 744 Q CB 0.118 28.942 28.738 0.142 0.000 0.929 744 Q HN 0.250 nan 8.270 nan 0.000 0.453 745 L N -0.042 121.383 121.223 0.336 0.000 2.005 745 L HA -0.178 4.164 4.340 0.003 0.000 0.207 745 L C 2.448 179.501 176.870 0.304 0.000 1.072 745 L CA 1.038 56.097 54.840 0.364 0.000 0.744 745 L CB -0.462 41.755 42.059 0.263 0.000 0.895 745 L HN 0.119 nan 8.230 nan 0.000 0.433 746 S N 0.103 115.938 115.700 0.226 0.000 2.353 746 S HA -0.188 4.284 4.470 0.003 0.000 0.222 746 S C 2.028 176.719 174.600 0.152 0.000 1.035 746 S CA 1.738 60.042 58.200 0.174 0.000 1.025 746 S CB -0.440 62.847 63.200 0.145 0.000 0.902 746 S HN 0.599 nan 8.310 nan 0.000 0.440 747 S N 0.649 116.436 115.700 0.145 0.000 2.595 747 S HA 0.262 4.734 4.470 0.003 0.000 0.235 747 S C 1.444 176.119 174.600 0.125 0.000 0.974 747 S CA 0.673 58.943 58.200 0.117 0.000 0.942 747 S CB -0.464 62.794 63.200 0.097 0.000 0.766 747 S HN 0.931 nan 8.310 nan 0.000 0.536 748 G N 0.749 109.645 108.800 0.159 0.000 2.137 748 G HA2 -0.312 3.650 3.960 0.003 0.000 0.237 748 G HA3 -0.312 3.650 3.960 0.003 0.000 0.237 748 G C 0.152 175.116 174.900 0.108 0.000 1.002 748 G CA 0.185 45.367 45.100 0.137 0.000 0.702 748 G HN 0.571 nan 8.290 nan 0.000 0.515 749 F N 0.284 120.202 119.950 -0.053 0.000 2.234 749 F HA 0.270 4.799 4.527 0.003 0.000 0.299 749 F C 1.858 177.452 175.800 -0.345 0.000 1.087 749 F CA 1.469 59.328 58.000 -0.236 0.000 1.340 749 F CB -0.121 38.660 39.000 -0.365 0.000 1.031 749 F HN 0.143 nan 8.300 nan 0.000 0.500 750 F N -0.063 119.823 119.950 -0.106 0.000 2.776 750 F HA 0.179 4.708 4.527 0.003 0.000 0.300 750 F C 1.168 176.983 175.800 0.024 0.000 1.116 750 F CA 0.442 58.345 58.000 -0.162 0.000 1.375 750 F CB -0.383 38.568 39.000 -0.082 0.000 1.109 750 F HN 0.028 nan 8.300 nan 0.000 0.585 751 S N -0.519 115.292 115.700 0.184 0.000 2.300 751 S HA 0.271 4.743 4.470 0.003 0.000 0.172 751 S C -1.982 172.633 174.600 0.025 0.000 1.484 751 S CA -0.992 57.272 58.200 0.107 0.000 1.265 751 S CB 0.613 63.840 63.200 0.045 0.000 1.313 751 S HN -0.071 nan 8.310 nan 0.000 0.387 752 P HA -0.105 nan 4.420 nan 0.000 0.217 752 P C 1.075 178.375 177.300 -0.001 0.000 1.150 752 P CA 1.104 64.198 63.100 -0.011 0.000 0.832 752 P CB 0.182 31.861 31.700 -0.035 0.000 0.787 753 K N -0.468 119.930 120.400 -0.003 0.000 2.280 753 K HA -0.079 4.243 4.320 0.003 0.000 0.202 753 K C 0.808 177.408 176.600 0.000 0.000 1.047 753 K CA 1.092 57.380 56.287 0.001 0.000 0.942 753 K CB -0.253 32.249 32.500 0.004 0.000 0.739 753 K HN 0.301 nan 8.250 nan 0.000 0.457 754 Q N -1.419 118.377 119.800 -0.007 0.000 3.484 754 Q HA 0.201 4.543 4.340 0.003 0.000 0.255 754 Q C -2.324 173.664 176.000 -0.020 0.000 0.909 754 Q CA -1.297 54.496 55.803 -0.017 0.000 0.774 754 Q CB 1.677 30.396 28.738 -0.031 0.000 1.431 754 Q HN -0.101 nan 8.270 nan 0.000 0.423 755 P HA -0.259 nan 4.420 nan 0.000 0.219 755 P C 0.016 177.337 177.300 0.035 0.000 1.158 755 P CA 1.741 64.861 63.100 0.032 0.000 0.895 755 P CB 0.163 31.886 31.700 0.038 0.000 0.792 756 D N -2.011 118.399 120.400 0.016 0.000 2.561 756 D HA 0.035 4.677 4.640 0.003 0.000 0.232 756 D C 1.252 177.536 176.300 -0.027 0.000 1.198 756 D CA -0.324 53.693 54.000 0.028 0.000 0.826 756 D CB -0.867 39.958 40.800 0.042 0.000 0.992 756 D HN -0.017 nan 8.370 nan 0.000 0.490 757 L N -0.438 120.695 121.223 -0.150 0.000 2.079 757 L HA 0.003 4.345 4.340 0.003 0.000 0.210 757 L C 0.671 177.278 176.870 -0.438 0.000 1.081 757 L CA 1.651 56.272 54.840 -0.365 0.000 0.752 757 L CB -0.452 41.195 42.059 -0.686 0.000 0.896 757 L HN 0.073 nan 8.230 nan 0.000 0.433 758 F N -0.712 119.286 119.950 0.080 0.000 2.730 758 F HA 0.222 4.752 4.527 0.004 0.000 0.295 758 F C 1.845 177.688 175.800 0.071 0.000 1.143 758 F CA -0.397 57.640 58.000 0.061 0.000 1.367 758 F CB -0.756 38.272 39.000 0.046 0.000 0.970 758 F HN -0.030 nan 8.300 nan 0.000 0.514 759 K N 0.774 121.271 120.400 0.163 0.000 2.077 759 K HA -0.259 4.063 4.320 0.003 0.000 0.213 759 K C 1.094 177.780 176.600 0.143 0.000 1.051 759 K CA 2.531 58.901 56.287 0.138 0.000 0.929 759 K CB -0.267 32.296 32.500 0.105 0.000 0.715 759 K HN 0.363 nan 8.250 nan 0.000 0.451 760 D N 0.374 120.871 120.400 0.161 0.000 2.097 760 D HA -0.142 4.500 4.640 0.003 0.000 0.195 760 D C 1.934 178.305 176.300 0.118 0.000 0.989 760 D CA 1.235 55.338 54.000 0.173 0.000 0.827 760 D CB -0.093 40.851 40.800 0.239 0.000 0.966 760 D HN 0.201 nan 8.370 nan 0.000 0.456 761 I N 0.563 121.204 120.570 0.119 0.000 2.142 761 I HA -0.234 3.938 4.170 0.003 0.000 0.240 761 I C 2.292 178.419 176.117 0.016 0.000 1.078 761 I CA 0.794 62.127 61.300 0.056 0.000 1.343 761 I CB -0.417 37.628 38.000 0.074 0.000 1.046 761 I HN -0.030 nan 8.210 nan 0.000 0.405 762 V N 1.432 121.386 119.914 0.067 0.000 2.324 762 V HA -0.292 3.830 4.120 0.003 0.000 0.250 762 V C 2.119 178.190 176.094 -0.039 0.000 1.060 762 V CA 1.983 64.308 62.300 0.042 0.000 1.042 762 V CB -0.843 31.041 31.823 0.102 0.000 0.650 762 V HN 0.466 nan 8.190 nan 0.000 0.450 763 N N -0.851 117.853 118.700 0.007 0.000 2.354 763 N HA -0.058 4.684 4.740 0.003 0.000 0.179 763 N C 1.746 177.135 175.510 -0.202 0.000 1.021 763 N CA 1.002 54.064 53.050 0.020 0.000 0.887 763 N CB -0.254 38.350 38.487 0.195 0.000 0.974 763 N HN 0.379 nan 8.380 nan 0.000 0.437 764 M N 0.485 119.907 119.600 -0.297 0.000 2.077 764 M HA -0.100 4.382 4.480 0.003 0.000 0.261 764 M C 1.533 177.546 176.300 -0.479 0.000 1.070 764 M CA 1.163 56.071 55.300 -0.654 0.000 1.125 764 M CB -0.438 31.983 32.600 -0.299 0.000 1.339 764 M HN -0.026 nan 8.290 nan 0.000 0.409 765 L N 0.888 121.902 121.223 -0.348 0.000 2.012 765 L HA -0.236 4.106 4.340 0.003 0.000 0.210 765 L C 2.488 178.974 176.870 -0.639 0.000 1.073 765 L CA 1.798 56.349 54.840 -0.482 0.000 0.748 765 L CB -1.152 40.684 42.059 -0.372 0.000 0.891 765 L HN 0.358 nan 8.230 nan 0.000 0.431 766 M N -2.035 117.255 119.600 -0.517 0.000 2.288 766 M HA -0.085 4.397 4.480 0.003 0.000 0.266 766 M C 1.964 177.820 176.300 -0.740 0.000 1.072 766 M CA 1.424 56.350 55.300 -0.624 0.000 1.132 766 M CB -0.839 31.308 32.600 -0.756 0.000 1.386 766 M HN 0.328 nan 8.290 nan 0.000 0.432 767 H N -1.766 117.200 119.070 -0.172 0.000 2.800 767 H HA 0.194 4.752 4.556 0.003 0.000 0.257 767 H C 0.004 175.341 175.328 0.015 0.000 0.967 767 H CA 0.631 56.647 56.048 -0.053 0.000 1.192 767 H CB 0.245 30.049 29.762 0.070 0.000 1.441 767 H HN 0.530 nan 8.280 nan 0.000 0.461 768 H N -1.245 117.856 119.070 0.052 0.000 2.562 768 H HA 0.330 4.888 4.556 0.003 0.000 0.230 768 H C -1.437 173.904 175.328 0.020 0.000 1.415 768 H CA -0.686 55.392 56.048 0.049 0.000 1.454 768 H CB 0.257 30.053 29.762 0.057 0.000 1.716 768 H HN -0.146 nan 8.280 nan 0.000 0.538 769 D N 1.486 121.881 120.400 -0.009 0.000 2.359 769 D HA 0.192 4.834 4.640 0.003 0.000 0.230 769 D C 0.781 177.030 176.300 -0.085 0.000 1.118 769 D CA -0.606 53.370 54.000 -0.039 0.000 0.844 769 D CB 1.026 41.798 40.800 -0.045 0.000 1.059 769 D HN 0.563 nan 8.370 nan 0.000 0.493 770 R N 2.363 122.719 120.500 -0.240 0.000 2.236 770 R HA 0.032 4.374 4.340 0.003 0.000 0.208 770 R C 0.616 176.416 176.300 -0.833 0.000 1.036 770 R CA 0.778 56.520 56.100 -0.597 0.000 1.001 770 R CB 0.195 29.931 30.300 -0.941 0.000 0.896 770 R HN 0.393 nan 8.270 nan 0.000 0.464 771 F N 0.370 120.279 119.950 -0.068 0.000 2.654 771 F HA 0.279 4.808 4.527 0.003 0.000 0.303 771 F C 0.050 175.728 175.800 -0.203 0.000 1.099 771 F CA -0.688 57.256 58.000 -0.094 0.000 1.270 771 F CB 0.201 39.202 39.000 0.002 0.000 1.024 771 F HN -0.259 nan 8.300 nan 0.000 0.548 772 K N -0.160 120.058 120.400 -0.302 0.000 3.257 772 K HA -0.177 4.145 4.320 0.003 0.000 0.270 772 K C 1.016 177.473 176.600 -0.239 0.000 0.984 772 K CA 0.114 56.028 56.287 -0.622 0.000 0.739 772 K CB -1.624 30.484 32.500 -0.654 0.000 1.351 772 K HN 0.202 nan 8.250 nan 0.000 0.463 773 V N 0.023 119.883 119.914 -0.089 0.000 2.255 773 V HA -0.278 3.844 4.120 0.003 0.000 0.247 773 V C 2.011 178.227 176.094 0.203 0.000 1.051 773 V CA 2.144 64.474 62.300 0.049 0.000 1.018 773 V CB -0.440 31.412 31.823 0.048 0.000 0.641 773 V HN 0.406 nan 8.190 nan 0.000 0.445 774 F N 0.835 120.778 119.950 -0.011 0.000 2.216 774 F HA -0.098 4.431 4.527 0.003 0.000 0.300 774 F C 2.470 178.122 175.800 -0.247 0.000 1.085 774 F CA 0.862 58.815 58.000 -0.078 0.000 1.326 774 F CB -1.558 37.398 39.000 -0.073 0.000 1.027 774 F HN 0.164 nan 8.300 nan 0.000 0.497 775 A N -0.682 121.988 122.820 -0.251 0.000 2.125 775 A HA -0.152 4.170 4.320 0.003 0.000 0.219 775 A C 1.572 179.202 177.584 0.078 0.000 1.156 775 A CA 1.892 53.758 52.037 -0.285 0.000 0.671 775 A CB -0.479 18.406 19.000 -0.192 0.000 0.794 775 A HN 0.235 nan 8.150 nan 0.000 0.459 776 D N -3.113 117.378 120.400 0.152 0.000 2.433 776 D HA 0.089 4.731 4.640 0.003 0.000 0.211 776 D C 1.121 177.609 176.300 0.314 0.000 1.114 776 D CA -0.091 54.071 54.000 0.270 0.000 0.837 776 D CB -0.148 40.848 40.800 0.327 0.000 0.984 776 D HN 0.548 nan 8.370 nan 0.000 0.505 777 Y N 2.048 122.440 120.300 0.153 0.000 2.165 777 Y HA -0.196 4.356 4.550 0.004 0.000 0.286 777 Y C 1.976 177.960 175.900 0.140 0.000 1.155 777 Y CA 1.830 60.021 58.100 0.153 0.000 1.164 777 Y CB 0.252 38.787 38.460 0.124 0.000 0.978 777 Y HN -0.088 nan 8.280 nan 0.000 0.513 778 E N -0.066 120.232 120.200 0.164 0.000 2.028 778 E HA -0.219 4.133 4.350 0.003 0.000 0.191 778 E C 2.204 178.766 176.600 -0.063 0.000 0.988 778 E CA 1.183 57.581 56.400 -0.003 0.000 0.799 778 E CB -0.191 29.599 29.700 0.150 0.000 0.755 778 E HN 0.557 nan 8.360 nan 0.000 0.447 779 E N -0.155 120.087 120.200 0.069 0.000 2.160 779 E HA -0.213 4.139 4.350 0.003 0.000 0.195 779 E C 1.852 178.422 176.600 -0.051 0.000 0.991 779 E CA 0.826 57.278 56.400 0.086 0.000 0.810 779 E CB -0.057 29.783 29.700 0.234 0.000 0.742 779 E HN 0.270 nan 8.360 nan 0.000 0.466 780 Y N 0.726 120.809 120.300 -0.362 0.000 2.184 780 Y HA -0.182 4.370 4.550 0.004 0.000 0.290 780 Y C 2.182 177.669 175.900 -0.689 0.000 1.129 780 Y CA 1.518 59.086 58.100 -0.887 0.000 1.144 780 Y CB -0.289 37.667 38.460 -0.840 0.000 0.995 780 Y HN -0.051 nan 8.280 nan 0.000 0.513 781 V N -1.600 117.957 119.914 -0.594 0.000 2.667 781 V HA -0.100 4.022 4.120 0.003 0.000 0.252 781 V C 1.996 177.832 176.094 -0.431 0.000 1.065 781 V CA 1.506 63.434 62.300 -0.620 0.000 1.083 781 V CB -0.552 30.984 31.823 -0.479 0.000 0.692 781 V HN 0.157 nan 8.190 nan 0.000 0.468 782 K N 0.280 120.491 120.400 -0.314 0.000 2.057 782 K HA -0.070 4.252 4.320 0.003 0.000 0.206 782 K C 2.331 178.805 176.600 -0.210 0.000 1.050 782 K CA 1.610 57.781 56.287 -0.193 0.000 0.935 782 K CB -1.280 31.163 32.500 -0.095 0.000 0.715 782 K HN 0.597 nan 8.250 nan 0.000 0.439 783 C N 1.993 121.135 119.300 -0.263 0.000 2.425 783 C HA -0.094 4.368 4.460 0.003 0.000 0.277 783 C C 2.755 177.515 174.990 -0.383 0.000 1.280 783 C CA 0.825 59.718 59.018 -0.209 0.000 1.744 783 C CB -0.574 27.062 27.740 -0.174 0.000 1.989 783 C HN 0.420 nan 8.230 nan 0.000 0.491 784 Q N 0.453 119.887 119.800 -0.611 0.000 2.084 784 Q HA -0.185 4.157 4.340 0.003 0.000 0.202 784 Q C 2.012 177.788 176.000 -0.373 0.000 0.978 784 Q CA 1.731 57.147 55.803 -0.646 0.000 0.844 784 Q CB -0.495 27.602 28.738 -1.068 0.000 0.898 784 Q HN 0.751 nan 8.270 nan 0.000 0.426 785 E N 0.264 120.308 120.200 -0.260 0.000 2.085 785 E HA -0.174 4.178 4.350 0.003 0.000 0.194 785 E C 2.103 178.646 176.600 -0.095 0.000 0.994 785 E CA 0.744 57.062 56.400 -0.136 0.000 0.801 785 E CB -0.070 29.571 29.700 -0.099 0.000 0.743 785 E HN 0.278 nan 8.360 nan 0.000 0.453 786 R N 0.448 120.893 120.500 -0.092 0.000 2.096 786 R HA -0.113 4.228 4.340 0.003 0.000 0.235 786 R C 2.446 178.712 176.300 -0.058 0.000 1.127 786 R CA 1.077 57.186 56.100 0.015 0.000 0.968 786 R CB -0.503 29.888 30.300 0.152 0.000 0.861 786 R HN 0.095 nan 8.270 nan 0.000 0.440 787 V N 0.736 120.406 119.914 -0.406 0.000 2.295 787 V HA -0.240 3.882 4.120 0.003 0.000 0.246 787 V C 2.279 178.326 176.094 -0.078 0.000 1.049 787 V CA 1.958 63.924 62.300 -0.556 0.000 1.024 787 V CB -0.422 30.988 31.823 -0.688 0.000 0.648 787 V HN 0.286 nan 8.190 nan 0.000 0.447 788 S N -0.155 115.491 115.700 -0.089 0.000 2.382 788 S HA -0.170 4.302 4.470 0.003 0.000 0.228 788 S C 2.160 176.822 174.600 0.104 0.000 1.027 788 S CA 1.422 59.628 58.200 0.010 0.000 0.991 788 S CB -0.415 62.762 63.200 -0.038 0.000 0.823 788 S HN 0.657 nan 8.310 nan 0.000 0.469 789 A N 0.972 123.848 122.820 0.094 0.000 1.873 789 A HA 0.026 4.348 4.320 0.003 0.000 0.215 789 A C 2.066 179.756 177.584 0.176 0.000 1.186 789 A CA 1.122 53.233 52.037 0.122 0.000 0.616 789 A CB -0.676 18.385 19.000 0.103 0.000 0.823 789 A HN 0.417 nan 8.150 nan 0.000 0.442 790 L N -1.880 119.496 121.223 0.255 0.000 2.141 790 L HA -0.097 4.245 4.340 0.003 0.000 0.209 790 L C 2.214 179.353 176.870 0.448 0.000 1.094 790 L CA 1.684 56.752 54.840 0.379 0.000 0.763 790 L CB -0.671 41.706 42.059 0.529 0.000 0.908 790 L HN 0.532 nan 8.230 nan 0.000 0.437 791 Y N -0.073 120.338 120.300 0.185 0.000 2.373 791 Y HA -0.204 4.348 4.550 0.003 0.000 0.293 791 Y C 2.476 178.293 175.900 -0.137 0.000 1.129 791 Y CA 1.543 59.521 58.100 -0.205 0.000 1.226 791 Y CB -0.035 38.226 38.460 -0.332 0.000 1.000 791 Y HN 0.128 nan 8.280 nan 0.000 0.549 792 K N 0.155 120.569 120.400 0.023 0.000 2.280 792 K HA -0.154 4.168 4.320 0.003 0.000 0.202 792 K C 0.315 176.874 176.600 -0.068 0.000 1.047 792 K CA 0.807 57.089 56.287 -0.008 0.000 0.942 792 K CB -0.131 32.420 32.500 0.086 0.000 0.739 792 K HN 0.061 nan 8.250 nan 0.000 0.457 793 N N 0.527 119.213 118.700 -0.022 0.000 2.817 793 N HA 0.132 4.874 4.740 0.003 0.000 0.234 793 N C -2.439 173.066 175.510 -0.008 0.000 1.066 793 N CA -2.238 50.811 53.050 -0.003 0.000 0.926 793 N CB 1.310 39.832 38.487 0.060 0.000 1.176 793 N HN -0.121 nan 8.380 nan 0.000 0.506 794 P HA -0.072 nan 4.420 nan 0.000 0.222 794 P C 1.141 178.450 177.300 0.015 0.000 1.147 794 P CA 0.838 63.869 63.100 -0.115 0.000 0.790 794 P CB 0.423 32.007 31.700 -0.194 0.000 0.780 795 R N -0.132 120.385 120.500 0.027 0.000 2.128 795 R HA -0.020 4.322 4.340 0.003 0.000 0.211 795 R C 1.765 178.109 176.300 0.074 0.000 1.067 795 R CA 0.755 56.879 56.100 0.041 0.000 1.010 795 R CB -0.107 30.206 30.300 0.021 0.000 0.922 795 R HN -0.041 nan 8.270 nan 0.000 0.457 796 E N -0.113 120.138 120.200 0.086 0.000 2.106 796 E HA -0.211 4.140 4.350 0.003 0.000 0.192 796 E C 1.406 178.081 176.600 0.126 0.000 0.984 796 E CA 0.876 57.330 56.400 0.091 0.000 0.806 796 E CB -0.291 29.462 29.700 0.087 0.000 0.750 796 E HN 0.406 nan 8.360 nan 0.000 0.458 797 W N 1.781 123.080 121.300 -0.002 0.000 2.354 797 W HA -0.177 4.484 4.660 0.002 0.000 0.315 797 W C 2.343 178.869 176.519 0.012 0.000 1.206 797 W CA 2.410 59.770 57.345 0.025 0.000 1.290 797 W CB -0.399 29.054 29.460 -0.012 0.000 1.152 797 W HN -0.025 nan 8.180 nan 0.000 0.489 798 T N 0.439 115.174 114.554 0.301 0.000 2.833 798 T HA -0.182 4.170 4.350 0.003 0.000 0.269 798 T C 1.682 176.397 174.700 0.024 0.000 1.054 798 T CA 1.445 63.628 62.100 0.140 0.000 1.135 798 T CB -0.253 68.669 68.868 0.091 0.000 0.869 798 T HN 0.181 nan 8.240 nan 0.000 0.466 799 R N 0.156 120.673 120.500 0.028 0.000 2.153 799 R HA 0.219 4.561 4.340 0.003 0.000 0.218 799 R C 2.404 178.690 176.300 -0.024 0.000 1.072 799 R CA 0.692 56.804 56.100 0.019 0.000 0.990 799 R CB -0.256 30.064 30.300 0.032 0.000 0.889 799 R HN 0.380 nan 8.270 nan 0.000 0.452 800 M N 0.492 120.037 119.600 -0.091 0.000 2.193 800 M HA -0.107 4.375 4.480 0.003 0.000 0.265 800 M C 1.980 178.172 176.300 -0.181 0.000 1.071 800 M CA 1.168 56.375 55.300 -0.155 0.000 1.140 800 M CB 0.191 32.636 32.600 -0.258 0.000 1.369 800 M HN -0.071 nan 8.290 nan 0.000 0.423 801 V N 1.273 121.043 119.914 -0.240 0.000 2.231 801 V HA -0.368 3.753 4.120 0.003 0.000 0.250 801 V C 2.241 178.301 176.094 -0.057 0.000 1.058 801 V CA 2.369 64.562 62.300 -0.178 0.000 1.022 801 V CB -0.715 31.027 31.823 -0.135 0.000 0.640 801 V HN 0.513 nan 8.190 nan 0.000 0.445 802 I N -0.776 119.787 120.570 -0.011 0.000 2.194 802 I HA -0.317 3.855 4.170 0.003 0.000 0.246 802 I C 2.719 178.879 176.117 0.072 0.000 1.093 802 I CA 1.745 63.092 61.300 0.078 0.000 1.355 802 I CB -0.398 37.697 38.000 0.158 0.000 1.046 802 I HN 0.204 nan 8.210 nan 0.000 0.413 803 R N 0.907 121.427 120.500 0.033 0.000 2.127 803 R HA -0.124 4.218 4.340 0.003 0.000 0.238 803 R C 1.979 178.302 176.300 0.039 0.000 1.134 803 R CA 1.471 57.589 56.100 0.029 0.000 0.975 803 R CB -0.250 30.049 30.300 -0.000 0.000 0.865 803 R HN 0.491 nan 8.270 nan 0.000 0.447 804 N N -0.623 118.091 118.700 0.024 0.000 2.245 804 N HA -0.014 4.728 4.740 0.003 0.000 0.185 804 N C 1.775 177.332 175.510 0.078 0.000 1.036 804 N CA 1.179 54.265 53.050 0.059 0.000 0.857 804 N CB 0.021 38.516 38.487 0.013 0.000 1.015 804 N HN 0.088 nan 8.380 nan 0.000 0.436 805 I N 1.853 122.457 120.570 0.057 0.000 2.194 805 I HA -0.265 3.907 4.170 0.003 0.000 0.246 805 I C 2.301 178.463 176.117 0.075 0.000 1.093 805 I CA 1.129 62.470 61.300 0.068 0.000 1.355 805 I CB -0.343 37.688 38.000 0.053 0.000 1.046 805 I HN 0.121 nan 8.210 nan 0.000 0.413 806 A N -1.117 121.749 122.820 0.076 0.000 2.209 806 A HA -0.090 4.232 4.320 0.003 0.000 0.212 806 A C 2.044 179.664 177.584 0.060 0.000 1.158 806 A CA 1.540 53.614 52.037 0.062 0.000 0.742 806 A CB -0.438 18.605 19.000 0.070 0.000 0.790 806 A HN 0.371 nan 8.150 nan 0.000 0.472 807 T N -0.795 113.809 114.554 0.083 0.000 3.182 807 T HA 0.121 4.472 4.350 0.003 0.000 0.277 807 T C 1.411 176.200 174.700 0.149 0.000 1.013 807 T CA 0.625 62.779 62.100 0.091 0.000 0.900 807 T CB -0.301 68.618 68.868 0.086 0.000 1.098 807 T HN 0.587 nan 8.240 nan 0.000 0.543 808 S N -0.737 115.065 115.700 0.171 0.000 2.593 808 S HA 0.164 4.636 4.470 0.003 0.000 0.217 808 S C 2.242 176.946 174.600 0.173 0.000 0.966 808 S CA 0.423 58.798 58.200 0.291 0.000 0.914 808 S CB -0.182 63.166 63.200 0.246 0.000 0.776 808 S HN 0.419 nan 8.310 nan 0.000 0.523 809 G N 2.512 111.333 108.800 0.035 0.000 2.450 809 G HA2 -0.242 3.720 3.960 0.003 0.000 0.220 809 G HA3 -0.242 3.720 3.960 0.003 0.000 0.220 809 G C 1.321 176.108 174.900 -0.188 0.000 1.130 809 G CA 0.878 45.956 45.100 -0.036 0.000 0.760 809 G HN 0.596 nan 8.290 nan 0.000 0.557 810 K N -0.259 119.873 120.400 -0.446 0.000 2.280 810 K HA -0.043 4.279 4.320 0.003 0.000 0.202 810 K C 1.055 177.196 176.600 -0.764 0.000 1.047 810 K CA 0.634 56.520 56.287 -0.667 0.000 0.942 810 K CB -0.220 31.728 32.500 -0.921 0.000 0.739 810 K HN 0.339 nan 8.250 nan 0.000 0.457 811 F N 0.843 120.818 119.950 0.041 0.000 2.693 811 F HA 0.182 4.711 4.527 0.003 0.000 0.303 811 F C 0.847 176.689 175.800 0.070 0.000 1.143 811 F CA -0.281 57.751 58.000 0.054 0.000 1.389 811 F CB -0.112 38.918 39.000 0.050 0.000 1.060 811 F HN -0.164 nan 8.300 nan 0.000 0.535 812 S N 0.043 115.786 115.700 0.072 0.000 2.565 812 S HA 0.139 4.611 4.470 0.003 0.000 0.276 812 S C 1.446 176.105 174.600 0.099 0.000 1.326 812 S CA -0.061 58.194 58.200 0.093 0.000 1.045 812 S CB 0.711 63.935 63.200 0.040 0.000 0.918 812 S HN 0.353 nan 8.310 nan 0.000 0.505 813 S N 3.048 118.834 115.700 0.142 0.000 2.515 813 S HA -0.048 4.423 4.470 0.003 0.000 0.231 813 S C 0.894 175.507 174.600 0.022 0.000 0.987 813 S CA 0.500 58.791 58.200 0.152 0.000 0.936 813 S CB -0.283 63.084 63.200 0.279 0.000 0.766 813 S HN 0.770 nan 8.310 nan 0.000 0.528 814 D N 1.819 122.228 120.400 0.015 0.000 2.178 814 D HA -0.068 4.573 4.640 0.003 0.000 0.202 814 D C 2.057 178.335 176.300 -0.036 0.000 0.974 814 D CA 0.698 54.688 54.000 -0.018 0.000 0.841 814 D CB -0.268 40.527 40.800 -0.009 0.000 0.953 814 D HN 0.310 nan 8.370 nan 0.000 0.478 815 R N 0.911 121.391 120.500 -0.033 0.000 2.055 815 R HA -0.072 4.270 4.340 0.003 0.000 0.228 815 R C 1.889 178.153 176.300 -0.061 0.000 1.143 815 R CA 1.493 57.561 56.100 -0.053 0.000 0.945 815 R CB -0.913 29.343 30.300 -0.074 0.000 0.841 815 R HN 0.082 nan 8.270 nan 0.000 0.429 816 T N 2.618 117.151 114.554 -0.036 0.000 2.620 816 T HA -0.201 4.151 4.350 0.003 0.000 0.267 816 T C 1.943 176.593 174.700 -0.083 0.000 1.044 816 T CA 1.825 63.909 62.100 -0.026 0.000 1.161 816 T CB -0.237 68.670 68.868 0.065 0.000 0.862 816 T HN 0.137 nan 8.240 nan 0.000 0.438 817 I N 1.559 122.009 120.570 -0.200 0.000 2.315 817 I HA -0.054 4.118 4.170 0.003 0.000 0.248 817 I C 2.925 178.981 176.117 -0.102 0.000 1.117 817 I CA 0.964 62.131 61.300 -0.222 0.000 1.404 817 I CB -1.629 36.232 38.000 -0.231 0.000 1.071 817 I HN 0.240 nan 8.210 nan 0.000 0.419 818 A N 0.266 123.042 122.820 -0.073 0.000 2.019 818 A HA -0.209 4.113 4.320 0.003 0.000 0.219 818 A C 2.193 179.725 177.584 -0.087 0.000 1.164 818 A CA 1.232 53.238 52.037 -0.052 0.000 0.644 818 A CB -0.433 18.543 19.000 -0.039 0.000 0.805 818 A HN 0.557 nan 8.150 nan 0.000 0.449 819 Q N -1.929 117.798 119.800 -0.123 0.000 2.137 819 Q HA -0.111 4.231 4.340 0.003 0.000 0.198 819 Q C 1.846 177.677 176.000 -0.281 0.000 0.960 819 Q CA 1.310 57.006 55.803 -0.177 0.000 0.847 819 Q CB -0.329 28.289 28.738 -0.201 0.000 0.915 819 Q HN 0.783 nan 8.270 nan 0.000 0.448 820 Y N 1.344 121.352 120.300 -0.488 0.000 2.128 820 Y HA -0.293 4.259 4.550 0.003 0.000 0.284 820 Y C 2.597 177.919 175.900 -0.964 0.000 1.154 820 Y CA 1.331 58.887 58.100 -0.907 0.000 1.149 820 Y CB -0.546 37.066 38.460 -1.413 0.000 0.976 820 Y HN 0.160 nan 8.280 nan 0.000 0.505 821 A N 0.458 123.054 122.820 -0.374 0.000 1.859 821 A HA -0.273 4.049 4.320 0.003 0.000 0.217 821 A C 2.286 179.872 177.584 0.003 0.000 1.198 821 A CA 2.377 54.422 52.037 0.013 0.000 0.629 821 A CB -0.674 18.393 19.000 0.111 0.000 0.830 821 A HN 0.443 nan 8.150 nan 0.000 0.446 822 R N -0.817 119.655 120.500 -0.047 0.000 2.062 822 R HA -0.048 4.293 4.340 0.003 0.000 0.229 822 R C 2.053 178.335 176.300 -0.030 0.000 1.128 822 R CA 1.517 57.605 56.100 -0.021 0.000 0.960 822 R CB -0.286 29.996 30.300 -0.030 0.000 0.855 822 R HN 0.679 nan 8.270 nan 0.000 0.432 823 E N -0.179 119.966 120.200 -0.091 0.000 2.318 823 E HA 0.052 4.404 4.350 0.003 0.000 0.193 823 E C 1.642 178.195 176.600 -0.077 0.000 0.998 823 E CA 0.606 56.955 56.400 -0.086 0.000 0.859 823 E CB 0.423 30.045 29.700 -0.129 0.000 0.812 823 E HN 0.324 nan 8.360 nan 0.000 0.492 824 I N -1.385 119.095 120.570 -0.150 0.000 3.971 824 I HA 0.033 4.205 4.170 0.003 0.000 0.303 824 I C 1.095 177.318 176.117 0.177 0.000 1.233 824 I CA 0.021 61.280 61.300 -0.069 0.000 1.346 824 I CB 0.363 38.198 38.000 -0.275 0.000 1.273 824 I HN 0.142 nan 8.210 nan 0.000 0.448 825 W N 1.333 122.731 121.300 0.163 0.000 3.107 825 W HA 0.398 5.060 4.660 0.004 0.000 0.293 825 W C 1.497 178.067 176.519 0.085 0.000 1.239 825 W CA 0.347 57.775 57.345 0.137 0.000 1.653 825 W CB -0.758 28.764 29.460 0.103 0.000 1.068 825 W HN 0.260 nan 8.180 nan 0.000 0.615 826 G N 1.568 110.504 108.800 0.226 0.000 2.221 826 G HA2 -0.166 3.795 3.960 0.003 0.000 0.265 826 G HA3 -0.166 3.795 3.960 0.003 0.000 0.265 826 G C -0.116 174.861 174.900 0.129 0.000 1.041 826 G CA 0.478 45.662 45.100 0.140 0.000 0.807 826 G HN 0.299 nan 8.290 nan 0.000 0.502 827 V N -4.753 115.255 119.914 0.156 0.000 3.046 827 V HA 0.948 5.069 4.120 0.003 0.000 0.316 827 V C -0.257 175.894 176.094 0.096 0.000 1.104 827 V CA -1.630 60.740 62.300 0.117 0.000 1.006 827 V CB 2.345 34.246 31.823 0.130 0.000 1.058 827 V HN 0.125 nan 8.190 nan 0.000 0.440 828 E N 1.710 121.951 120.200 0.068 0.000 2.171 828 E HA 0.557 4.909 4.350 0.003 0.000 0.271 828 E C -2.655 173.975 176.600 0.052 0.000 0.916 828 E CA -1.785 54.645 56.400 0.051 0.000 0.774 828 E CB 2.062 31.785 29.700 0.038 0.000 1.128 828 E HN 0.693 nan 8.360 nan 0.000 0.403 829 P HA 0.015 nan 4.420 nan 0.000 0.269 829 P C -0.759 176.563 177.300 0.037 0.000 1.217 829 P CA 0.071 63.196 63.100 0.041 0.000 0.783 829 P CB 0.606 32.323 31.700 0.028 0.000 0.898 830 S N 0.936 116.659 115.700 0.039 0.000 2.541 830 S HA 0.499 4.971 4.470 0.003 0.000 0.280 830 S C -0.253 174.366 174.600 0.032 0.000 1.112 830 S CA -0.737 57.485 58.200 0.037 0.000 0.925 830 S CB 0.978 64.207 63.200 0.048 0.000 1.067 830 S HN 0.360 nan 8.310 nan 0.000 0.479 831 R N 2.141 122.656 120.500 0.025 0.000 2.700 831 R HA 0.263 4.605 4.340 0.003 0.000 0.399 831 R C -0.154 176.155 176.300 0.015 0.000 1.115 831 R CA -0.098 56.016 56.100 0.023 0.000 1.058 831 R CB 0.486 30.800 30.300 0.023 0.000 1.389 831 R HN 0.653 nan 8.270 nan 0.000 0.582 832 Q N 1.253 121.061 119.800 0.013 0.000 2.279 832 Q HA 0.182 4.524 4.340 0.003 0.000 0.256 832 Q C -0.690 175.303 176.000 -0.011 0.000 0.937 832 Q CA -0.625 55.179 55.803 0.002 0.000 0.933 832 Q CB 0.804 29.545 28.738 0.006 0.000 1.189 832 Q HN -0.039 nan 8.270 nan 0.000 0.417 833 R N 3.199 123.685 120.500 -0.023 0.000 2.402 833 R HA 0.104 4.446 4.340 0.003 0.000 0.331 833 R C -0.309 175.957 176.300 -0.056 0.000 1.040 833 R CA 0.029 56.105 56.100 -0.040 0.000 0.980 833 R CB -0.311 29.963 30.300 -0.044 0.000 0.967 833 R HN 0.574 nan 8.270 nan 0.000 0.440 834 L N 5.709 126.886 121.223 -0.077 0.000 2.416 834 L HA 0.378 4.720 4.340 0.003 0.000 0.272 834 L C -1.983 174.830 176.870 -0.095 0.000 1.161 834 L CA -1.287 53.476 54.840 -0.129 0.000 0.845 834 L CB 1.042 42.989 42.059 -0.187 0.000 1.119 834 L HN 0.499 nan 8.230 nan 0.000 0.464 835 P HA 0.606 nan 4.420 nan 0.000 0.349 835 P C -0.773 176.502 177.300 -0.041 0.000 1.263 835 P CA 0.334 63.401 63.100 -0.054 0.000 0.783 835 P CB 1.377 33.050 31.700 -0.045 0.000 1.657 836 A N -2.404 120.400 122.820 -0.027 0.000 6.474 836 A HA -0.070 4.252 4.320 0.003 0.000 0.222 836 A C -2.099 175.485 177.584 -0.000 0.000 2.357 836 A CA -0.079 51.951 52.037 -0.012 0.000 0.689 836 A CB -3.643 15.350 19.000 -0.012 0.000 0.859 836 A HN 0.591 nan 8.150 nan 0.000 0.354 837 P HA 0.319 nan 4.420 nan 0.000 0.286 837 P C 0.327 177.642 177.300 0.025 0.000 1.531 837 P CA 1.617 64.731 63.100 0.023 0.000 1.163 837 P CB -0.166 31.544 31.700 0.018 0.000 0.759 838 D N 0.000 120.422 120.400 0.036 0.000 6.856 838 D HA 0.000 4.642 4.640 0.003 0.000 0.175 838 D CA 0.000 nan 54.000 nan 0.000 0.868 838 D CB 0.000 nan 40.800 nan 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683