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 1zm3_1_E DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.826 176.094 -0.447 0.000 1.182 2 V CA 0.000 62.108 62.300 -0.320 0.000 1.235 2 V CB 0.000 31.523 31.823 -0.501 0.000 1.184 3 A N 5.365 127.949 122.820 -0.394 0.000 2.354 3 A HA 0.798 5.119 4.320 0.001 0.000 0.281 3 A C -1.015 176.337 177.584 -0.387 0.000 1.174 3 A CA 0.111 51.978 52.037 -0.283 0.000 0.828 3 A CB -0.158 18.746 19.000 -0.160 0.000 1.099 3 A HN 0.769 nan 8.150 nan 0.000 0.516 4 F N 0.779 120.693 119.950 -0.059 0.000 2.538 4 F HA 0.556 5.084 4.527 0.001 0.000 0.325 4 F C 1.146 176.917 175.800 -0.049 0.000 1.066 4 F CA -0.412 57.542 58.000 -0.076 0.000 0.946 4 F CB 2.213 41.157 39.000 -0.094 0.000 1.199 4 F HN 0.639 nan 8.300 nan 0.000 0.473 5 T N -1.466 113.207 114.554 0.197 0.000 2.899 5 T HA 0.341 4.691 4.350 0.001 0.000 0.284 5 T C 1.074 175.809 174.700 0.058 0.000 1.004 5 T CA -0.732 61.419 62.100 0.085 0.000 1.043 5 T CB 1.221 70.120 68.868 0.051 0.000 1.013 5 T HN 0.319 nan 8.240 nan 0.000 0.518 6 V N 1.454 121.388 119.914 0.032 0.000 2.370 6 V HA -0.209 3.911 4.120 0.001 0.000 0.252 6 V C 2.492 178.580 176.094 -0.010 0.000 1.068 6 V CA 2.180 64.488 62.300 0.014 0.000 1.061 6 V CB -0.788 31.040 31.823 0.009 0.000 0.656 6 V HN 0.909 nan 8.190 nan 0.000 0.455 7 D N -0.520 119.873 120.400 -0.013 0.000 2.078 7 D HA -0.184 4.457 4.640 0.001 0.000 0.193 7 D C 2.313 178.573 176.300 -0.067 0.000 0.990 7 D CA 1.502 55.483 54.000 -0.032 0.000 0.827 7 D CB -0.209 40.578 40.800 -0.022 0.000 0.975 7 D HN 0.556 nan 8.370 nan 0.000 0.451 8 Q N -0.156 119.599 119.800 -0.075 0.000 2.029 8 Q HA -0.195 4.145 4.340 0.001 0.000 0.209 8 Q C 2.331 178.156 176.000 -0.292 0.000 0.999 8 Q CA 1.286 56.974 55.803 -0.192 0.000 0.857 8 Q CB -0.138 28.497 28.738 -0.171 0.000 0.926 8 Q HN 0.263 nan 8.270 nan 0.000 0.415 9 M N 0.201 119.665 119.600 -0.226 0.000 2.082 9 M HA -0.196 4.285 4.480 0.001 0.000 0.258 9 M C 2.241 178.467 176.300 -0.124 0.000 1.071 9 M CA 1.646 56.837 55.300 -0.182 0.000 1.103 9 M CB -0.972 31.595 32.600 -0.055 0.000 1.307 9 M HN 0.105 nan 8.290 nan 0.000 0.409 10 R N 0.415 120.867 120.500 -0.080 0.000 2.133 10 R HA -0.156 4.185 4.340 0.001 0.000 0.245 10 R C 2.352 178.608 176.300 -0.074 0.000 1.137 10 R CA 2.651 58.714 56.100 -0.062 0.000 0.947 10 R CB -1.337 28.936 30.300 -0.045 0.000 0.865 10 R HN 0.385 nan 8.270 nan 0.000 0.437 11 S N -0.735 114.911 115.700 -0.091 0.000 2.382 11 S HA -0.086 4.385 4.470 0.001 0.000 0.228 11 S C 1.778 176.317 174.600 -0.103 0.000 1.027 11 S CA 1.129 59.275 58.200 -0.090 0.000 0.991 11 S CB -0.439 62.703 63.200 -0.096 0.000 0.823 11 S HN 0.357 nan 8.310 nan 0.000 0.469 12 L N 1.764 122.903 121.223 -0.140 0.000 2.017 12 L HA 0.098 4.438 4.340 0.001 0.000 0.208 12 L C 2.237 179.058 176.870 -0.081 0.000 1.073 12 L CA 2.000 56.760 54.840 -0.133 0.000 0.745 12 L CB -0.747 41.195 42.059 -0.195 0.000 0.894 12 L HN 0.391 nan 8.230 nan 0.000 0.432 13 M N -1.017 118.542 119.600 -0.069 0.000 2.549 13 M HA -0.155 4.325 4.480 0.001 0.000 0.260 13 M C 1.397 177.671 176.300 -0.045 0.000 1.076 13 M CA 0.974 56.246 55.300 -0.047 0.000 1.090 13 M CB -0.442 32.132 32.600 -0.043 0.000 1.418 13 M HN 0.291 nan 8.290 nan 0.000 0.486 14 D N 0.660 121.030 120.400 -0.050 0.000 2.183 14 D HA -0.025 4.615 4.640 0.001 0.000 0.205 14 D C 0.452 176.729 176.300 -0.039 0.000 0.962 14 D CA 0.973 54.947 54.000 -0.043 0.000 0.849 14 D CB 0.156 40.929 40.800 -0.045 0.000 0.978 14 D HN 0.184 nan 8.370 nan 0.000 0.488 15 K N 1.119 121.491 120.400 -0.046 0.000 2.155 15 K HA 0.098 4.419 4.320 0.001 0.000 0.240 15 K C 1.057 177.645 176.600 -0.020 0.000 1.193 15 K CA -0.170 56.092 56.287 -0.042 0.000 1.104 15 K CB 0.549 33.005 32.500 -0.073 0.000 1.558 15 K HN -0.153 nan 8.250 nan 0.000 0.313 16 V N 0.432 120.339 119.914 -0.013 0.000 2.490 16 V HA -0.260 3.861 4.120 0.001 0.000 0.250 16 V C 2.166 178.276 176.094 0.026 0.000 1.061 16 V CA 2.261 64.559 62.300 -0.002 0.000 1.064 16 V CB -0.817 30.996 31.823 -0.017 0.000 0.670 16 V HN 0.791 nan 8.190 nan 0.000 0.461 17 T N -2.030 112.543 114.554 0.033 0.000 3.051 17 T HA -0.111 4.240 4.350 0.001 0.000 0.269 17 T C 1.051 175.841 174.700 0.150 0.000 1.127 17 T CA 1.471 63.610 62.100 0.065 0.000 1.107 17 T CB -0.472 68.427 68.868 0.052 0.000 0.898 17 T HN 0.462 nan 8.240 nan 0.000 0.517 18 N N 0.475 119.268 118.700 0.154 0.000 2.389 18 N HA 0.386 5.126 4.740 0.001 0.000 0.260 18 N C -1.213 174.504 175.510 0.346 0.000 1.191 18 N CA -0.189 53.063 53.050 0.336 0.000 0.885 18 N CB 1.142 39.554 38.487 -0.125 0.000 1.162 18 N HN 0.260 nan 8.380 nan 0.000 0.512 19 V N 0.600 120.628 119.914 0.189 0.000 2.715 19 V HA 0.550 4.670 4.120 0.001 0.000 0.310 19 V C -0.259 175.878 176.094 0.071 0.000 1.054 19 V CA -0.856 61.514 62.300 0.117 0.000 0.928 19 V CB 2.273 34.125 31.823 0.048 0.000 1.007 19 V HN 0.057 nan 8.190 nan 0.000 0.437 20 R N 3.043 123.574 120.500 0.051 0.000 2.467 20 R HA 0.423 4.763 4.340 0.001 0.000 0.299 20 R C -1.140 175.172 176.300 0.020 0.000 1.120 20 R CA -0.533 55.575 56.100 0.013 0.000 0.940 20 R CB 1.203 31.491 30.300 -0.020 0.000 1.161 20 R HN 0.635 nan 8.270 nan 0.000 0.506 21 N N 4.319 123.028 118.700 0.014 0.000 2.422 21 N HA 0.462 5.202 4.740 0.001 0.000 0.266 21 N C 0.122 175.649 175.510 0.028 0.000 1.007 21 N CA -0.352 52.713 53.050 0.025 0.000 0.941 21 N CB 1.564 40.055 38.487 0.005 0.000 1.115 21 N HN 0.386 nan 8.380 nan 0.000 0.492 22 M N -0.856 118.767 119.600 0.038 0.000 0.000 22 M HA 0.603 5.083 4.480 0.001 0.000 0.000 22 M C -0.516 175.806 176.300 0.037 0.000 0.000 22 M CA -1.067 54.252 55.300 0.031 0.000 0.000 22 M CB 1.071 33.676 32.600 0.010 0.000 0.000 22 M HN 0.209 nan 8.290 nan 0.000 0.000 23 S N -0.507 115.208 115.700 0.024 0.000 2.685 23 S HA 0.951 5.422 4.470 0.001 0.000 0.282 23 S C -1.736 172.865 174.600 0.002 0.000 1.159 23 S CA -0.629 57.583 58.200 0.019 0.000 0.833 23 S CB 1.931 65.150 63.200 0.031 0.000 1.151 23 S HN 0.998 nan 8.310 nan 0.000 0.485 24 V N 3.235 123.146 119.914 -0.004 0.000 2.334 24 V HA 0.460 4.580 4.120 0.001 0.000 0.281 24 V C -0.663 175.427 176.094 -0.007 0.000 1.016 24 V CA -0.745 61.548 62.300 -0.011 0.000 0.832 24 V CB 1.128 32.942 31.823 -0.015 0.000 0.999 24 V HN 0.724 nan 8.190 nan 0.000 0.439 25 I N 4.860 125.425 120.570 -0.008 0.000 2.294 25 I HA 0.701 4.871 4.170 0.001 0.000 0.295 25 I C 0.467 176.589 176.117 0.009 0.000 1.098 25 I CA 0.245 61.543 61.300 -0.002 0.000 1.277 25 I CB 0.305 38.300 38.000 -0.008 0.000 1.434 25 I HN 0.749 nan 8.210 nan 0.000 0.498 26 A N 4.999 127.829 122.820 0.017 0.000 2.582 26 A HA 0.358 4.679 4.320 0.001 0.000 0.297 26 A C -0.801 176.810 177.584 0.046 0.000 1.059 26 A CA -0.743 51.325 52.037 0.053 0.000 0.705 26 A CB 0.661 19.697 19.000 0.061 0.000 1.279 26 A HN 0.758 nan 8.150 nan 0.000 0.404 27 H N 1.131 120.148 119.070 -0.088 0.000 2.897 27 H HA 0.251 4.808 4.556 0.001 0.000 0.347 27 H C 1.623 176.865 175.328 -0.142 0.000 1.068 27 H CA 0.653 56.575 56.048 -0.211 0.000 1.426 27 H CB 1.142 30.578 29.762 -0.543 0.000 1.410 27 H HN 0.861 nan 8.280 nan 0.000 0.597 28 V N 0.896 120.860 119.914 0.083 0.000 2.469 28 V HA -0.190 3.930 4.120 0.001 0.000 0.251 28 V C 0.976 177.182 176.094 0.186 0.000 1.064 28 V CA 1.939 64.307 62.300 0.113 0.000 1.066 28 V CB -0.134 31.701 31.823 0.020 0.000 0.667 28 V HN 0.770 nan 8.190 nan 0.000 0.461 29 D N -0.530 120.052 120.400 0.303 0.000 2.434 29 D HA 0.137 4.778 4.640 0.001 0.000 0.232 29 D C 0.698 177.069 176.300 0.119 0.000 1.166 29 D CA 0.349 54.392 54.000 0.073 0.000 0.830 29 D CB -0.365 40.401 40.800 -0.057 0.000 0.960 29 D HN 0.719 nan 8.370 nan 0.000 0.497 30 H N -0.956 118.117 119.070 0.004 0.000 2.510 30 H HA 0.268 4.825 4.556 0.001 0.000 0.266 30 H C 0.900 176.218 175.328 -0.016 0.000 1.146 30 H CA -0.389 55.644 56.048 -0.026 0.000 0.993 30 H CB 0.935 30.688 29.762 -0.015 0.000 1.727 30 H HN 0.119 nan 8.280 nan 0.000 0.590 31 G N 2.378 111.241 108.800 0.105 0.000 2.246 31 G HA2 -0.367 3.593 3.960 0.001 0.000 0.273 31 G HA3 -0.367 3.593 3.960 0.001 0.000 0.273 31 G C 1.070 175.993 174.900 0.037 0.000 1.055 31 G CA 0.889 46.016 45.100 0.046 0.000 0.851 31 G HN 0.502 nan 8.290 nan 0.000 0.500 32 K N 0.348 120.781 120.400 0.055 0.000 2.001 32 K HA -0.109 4.212 4.320 0.001 0.000 0.208 32 K C 2.898 179.505 176.600 0.011 0.000 1.048 32 K CA 2.141 58.447 56.287 0.032 0.000 0.932 32 K CB -0.276 32.245 32.500 0.034 0.000 0.715 32 K HN 0.696 nan 8.250 nan 0.000 0.437 33 S N -0.250 115.458 115.700 0.014 0.000 2.357 33 S HA -0.104 4.367 4.470 0.001 0.000 0.221 33 S C 2.022 176.625 174.600 0.005 0.000 1.031 33 S CA 1.572 59.774 58.200 0.004 0.000 0.982 33 S CB -0.776 62.427 63.200 0.006 0.000 0.853 33 S HN 0.332 nan 8.310 nan 0.000 0.458 34 T N 3.431 117.992 114.554 0.012 0.000 2.652 34 T HA 0.006 4.357 4.350 0.001 0.000 0.267 34 T C 1.773 176.474 174.700 0.001 0.000 1.039 34 T CA 1.701 63.808 62.100 0.012 0.000 1.153 34 T CB -0.690 68.188 68.868 0.018 0.000 0.863 34 T HN 0.292 nan 8.240 nan 0.000 0.428 35 L N 1.123 122.340 121.223 -0.011 0.000 2.046 35 L HA -0.146 4.194 4.340 0.001 0.000 0.208 35 L C 3.072 179.931 176.870 -0.018 0.000 1.077 35 L CA 1.693 56.517 54.840 -0.026 0.000 0.747 35 L CB -1.268 40.766 42.059 -0.043 0.000 0.896 35 L HN 0.491 nan 8.230 nan 0.000 0.432 36 T N -3.388 111.158 114.554 -0.013 0.000 2.708 36 T HA -0.192 4.158 4.350 0.001 0.000 0.266 36 T C 1.486 176.184 174.700 -0.004 0.000 1.037 36 T CA 1.312 63.406 62.100 -0.011 0.000 1.146 36 T CB -0.492 68.368 68.868 -0.013 0.000 0.865 36 T HN 0.254 nan 8.240 nan 0.000 0.435 37 D N 1.223 121.623 120.400 -0.001 0.000 2.182 37 D HA -0.089 4.551 4.640 0.001 0.000 0.201 37 D C 2.304 178.612 176.300 0.013 0.000 0.986 37 D CA 1.291 55.294 54.000 0.006 0.000 0.847 37 D CB -0.464 40.341 40.800 0.008 0.000 0.942 37 D HN 0.464 nan 8.370 nan 0.000 0.467 38 S N -0.236 115.470 115.700 0.011 0.000 2.402 38 S HA -0.088 4.382 4.470 0.001 0.000 0.229 38 S C 1.859 176.468 174.600 0.016 0.000 1.021 38 S CA 0.382 58.592 58.200 0.016 0.000 0.974 38 S CB 0.013 63.220 63.200 0.012 0.000 0.800 38 S HN 0.057 nan 8.310 nan 0.000 0.484 39 L N 0.727 121.956 121.223 0.009 0.000 2.341 39 L HA 0.167 4.508 4.340 0.001 0.000 0.214 39 L C 2.080 178.966 176.870 0.027 0.000 1.115 39 L CA 0.595 55.443 54.840 0.012 0.000 0.820 39 L CB -0.125 41.936 42.059 0.002 0.000 0.944 39 L HN 0.182 nan 8.230 nan 0.000 0.452 40 V N -1.257 118.672 119.914 0.025 0.000 2.379 40 V HA -0.183 3.937 4.120 0.001 0.000 0.243 40 V C 1.879 177.995 176.094 0.037 0.000 1.035 40 V CA 1.115 63.434 62.300 0.032 0.000 1.035 40 V CB -0.471 31.364 31.823 0.021 0.000 0.673 40 V HN 0.447 nan 8.190 nan 0.000 0.457 41 Q N -0.270 119.548 119.800 0.031 0.000 2.491 41 Q HA -0.070 4.271 4.340 0.001 0.000 0.214 41 Q C 1.925 177.946 176.000 0.036 0.000 0.970 41 Q CA 0.534 56.357 55.803 0.033 0.000 0.960 41 Q CB 0.084 28.840 28.738 0.030 0.000 0.996 41 Q HN 0.440 nan 8.270 nan 0.000 0.524 42 R N -0.194 120.330 120.500 0.040 0.000 2.610 42 R HA 0.213 4.553 4.340 0.001 0.000 0.171 42 R C 0.571 176.907 176.300 0.060 0.000 0.892 42 R CA 1.138 57.264 56.100 0.043 0.000 1.086 42 R CB -0.164 30.157 30.300 0.035 0.000 1.320 42 R HN -0.013 nan 8.270 nan 0.000 0.582 43 A N 0.402 123.265 122.820 0.071 0.000 2.594 43 A HA 0.514 4.834 4.320 0.001 0.000 0.287 43 A C 0.429 178.095 177.584 0.136 0.000 1.227 43 A CA -0.085 52.020 52.037 0.114 0.000 0.952 43 A CB -0.020 19.037 19.000 0.094 0.000 1.161 43 A HN 0.349 nan 8.150 nan 0.000 0.524 44 G N 0.475 109.333 108.800 0.098 0.000 2.398 44 G HA2 0.444 4.404 3.960 0.001 0.000 0.246 44 G HA3 0.444 4.404 3.960 0.001 0.000 0.246 44 G C -0.168 174.800 174.900 0.112 0.000 1.289 44 G CA 0.013 45.172 45.100 0.099 0.000 0.869 44 G HN 0.159 nan 8.290 nan 0.000 0.543 45 I N 2.642 123.299 120.570 0.144 0.000 2.336 45 I HA 0.376 4.547 4.170 0.001 0.000 0.292 45 I C 0.124 176.319 176.117 0.129 0.000 0.991 45 I CA -0.626 60.769 61.300 0.159 0.000 1.227 45 I CB 1.000 39.171 38.000 0.286 0.000 1.366 45 I HN 0.236 nan 8.210 nan 0.000 0.466 46 I N 4.024 124.632 120.570 0.063 0.000 3.436 46 I HA 0.516 4.687 4.170 0.001 0.000 0.296 46 I C 0.431 176.569 176.117 0.034 0.000 1.143 46 I CA -0.659 60.678 61.300 0.062 0.000 1.009 46 I CB 1.270 39.282 38.000 0.019 0.000 1.301 46 I HN 0.555 nan 8.210 nan 0.000 0.503 47 S N 0.430 116.132 115.700 0.004 0.000 2.501 47 S HA 0.915 5.386 4.470 0.001 0.000 0.301 47 S C -0.373 174.200 174.600 -0.044 0.000 1.096 47 S CA -0.705 57.492 58.200 -0.006 0.000 1.063 47 S CB 1.502 64.695 63.200 -0.013 0.000 1.042 47 S HN 0.878 nan 8.310 nan 0.000 0.494 68 I N 3.488 124.104 120.570 0.077 0.000 2.297 68 I HA 0.365 4.535 4.170 0.001 0.000 0.291 68 I C 0.504 176.675 176.117 0.090 0.000 1.033 68 I CA -0.478 60.867 61.300 0.075 0.000 1.253 68 I CB 0.199 38.282 38.000 0.137 0.000 1.396 68 I HN 0.159 nan 8.210 nan 0.000 0.476 69 T N 5.745 120.317 114.554 0.030 0.000 2.824 69 T HA 0.819 5.170 4.350 0.001 0.000 0.280 69 T C -0.091 174.544 174.700 -0.109 0.000 0.995 69 T CA -0.653 61.457 62.100 0.016 0.000 1.009 69 T CB 1.816 70.696 68.868 0.020 0.000 0.955 69 T HN 0.486 nan 8.240 nan 0.000 0.452 70 I N -0.580 119.910 120.570 -0.135 0.000 3.133 70 I HA 0.628 4.798 4.170 0.001 0.000 0.311 70 I C -0.181 175.816 176.117 -0.201 0.000 1.072 70 I CA -1.575 59.603 61.300 -0.204 0.000 1.015 70 I CB 1.857 39.759 38.000 -0.164 0.000 1.233 70 I HN 0.506 nan 8.210 nan 0.000 0.473 71 K N 2.646 122.922 120.400 -0.208 0.000 2.310 71 K HA 0.124 4.445 4.320 0.001 0.000 0.290 71 K C -0.089 176.403 176.600 -0.180 0.000 1.077 71 K CA 0.066 56.243 56.287 -0.184 0.000 0.922 71 K CB 0.773 33.170 32.500 -0.172 0.000 1.057 71 K HN 0.776 nan 8.250 nan 0.000 0.479 72 S N 3.514 119.102 115.700 -0.188 0.000 2.885 72 S HA -0.054 4.417 4.470 0.001 0.000 0.334 72 S C 0.602 175.082 174.600 -0.201 0.000 1.224 72 S CA 0.380 58.466 58.200 -0.191 0.000 1.080 72 S CB 0.163 63.254 63.200 -0.182 0.000 0.801 72 S HN 0.709 nan 8.310 nan 0.000 0.510 73 T N 4.180 118.585 114.554 -0.249 0.000 3.019 73 T HA 0.518 4.869 4.350 0.001 0.000 0.247 73 T C 0.277 174.756 174.700 -0.368 0.000 0.992 73 T CA 0.502 62.379 62.100 -0.373 0.000 1.036 73 T CB 0.394 68.882 68.868 -0.632 0.000 1.063 73 T HN 0.796 nan 8.240 nan 0.000 0.476 74 A N 0.887 123.545 122.820 -0.269 0.000 2.556 74 A HA 0.769 5.090 4.320 0.001 0.000 0.294 74 A C -1.787 175.779 177.584 -0.030 0.000 1.091 74 A CA -0.630 51.341 52.037 -0.111 0.000 0.704 74 A CB 1.320 20.326 19.000 0.011 0.000 1.300 74 A HN 0.181 nan 8.150 nan 0.000 0.406 75 I N 1.040 121.618 120.570 0.012 0.000 2.545 75 I HA 0.371 4.542 4.170 0.001 0.000 0.292 75 I C -0.149 176.011 176.117 0.071 0.000 1.040 75 I CA -0.320 60.999 61.300 0.031 0.000 1.068 75 I CB 1.877 39.885 38.000 0.013 0.000 1.251 75 I HN 0.554 nan 8.210 nan 0.000 0.424 76 S N 6.254 122.012 115.700 0.096 0.000 2.452 76 S HA 0.592 5.063 4.470 0.001 0.000 0.284 76 S C -0.334 174.354 174.600 0.146 0.000 1.171 76 S CA -0.451 57.824 58.200 0.125 0.000 1.064 76 S CB 0.734 64.020 63.200 0.143 0.000 0.967 76 S HN 0.239 nan 8.310 nan 0.000 0.484 77 L N 3.842 125.154 121.223 0.147 0.000 2.341 77 L HA 0.482 4.823 4.340 0.001 0.000 0.278 77 L C -0.631 176.376 176.870 0.229 0.000 1.005 77 L CA -0.573 54.365 54.840 0.163 0.000 0.818 77 L CB 0.941 43.058 42.059 0.097 0.000 1.259 77 L HN 0.661 nan 8.230 nan 0.000 0.418 78 Y N 2.461 122.854 120.300 0.155 0.000 2.342 78 Y HA 0.726 5.276 4.550 0.001 0.000 0.334 78 Y C -0.173 175.822 175.900 0.157 0.000 1.067 78 Y CA -0.247 57.968 58.100 0.193 0.000 1.128 78 Y CB 1.802 40.469 38.460 0.346 0.000 1.200 78 Y HN 0.588 nan 8.280 nan 0.000 0.464 79 S N 4.744 120.054 115.700 -0.650 0.000 2.533 79 S HA 0.396 4.867 4.470 0.001 0.000 0.271 79 S C -1.768 172.540 174.600 -0.487 0.000 1.143 79 S CA -0.754 57.181 58.200 -0.442 0.000 0.891 79 S CB 1.216 64.346 63.200 -0.116 0.000 1.105 79 S HN 0.845 nan 8.310 nan 0.000 0.468 80 E N 3.663 123.687 120.200 -0.294 0.000 2.277 80 E HA 0.635 4.985 4.350 0.001 0.000 0.266 80 E C -0.848 175.769 176.600 0.029 0.000 0.901 80 E CA -0.719 55.609 56.400 -0.119 0.000 0.782 80 E CB 1.158 30.817 29.700 -0.068 0.000 1.228 80 E HN 0.619 nan 8.360 nan 0.000 0.424 81 M N 0.570 120.223 119.600 0.089 0.000 2.826 81 M HA 0.389 4.870 4.480 0.001 0.000 0.284 81 M C -0.205 176.130 176.300 0.058 0.000 1.191 81 M CA -0.869 54.487 55.300 0.094 0.000 0.745 81 M CB 1.016 33.726 32.600 0.183 0.000 1.750 81 M HN 0.584 nan 8.290 nan 0.000 0.434 82 S N -1.199 114.531 115.700 0.050 0.000 2.607 82 S HA 0.409 4.880 4.470 0.001 0.000 0.303 82 S C -0.228 174.392 174.600 0.034 0.000 1.086 82 S CA -0.632 57.587 58.200 0.031 0.000 0.995 82 S CB 1.338 64.551 63.200 0.021 0.000 1.084 82 S HN 0.589 nan 8.310 nan 0.000 0.507 83 D N 0.783 121.196 120.400 0.022 0.000 2.315 83 D HA -0.080 4.560 4.640 0.001 0.000 0.211 83 D C 1.352 177.665 176.300 0.021 0.000 0.977 83 D CA 1.136 55.148 54.000 0.020 0.000 0.894 83 D CB 0.084 40.891 40.800 0.011 0.000 0.910 83 D HN 0.540 nan 8.370 nan 0.000 0.490 84 E N 0.280 120.491 120.200 0.020 0.000 2.190 84 E HA -0.047 4.303 4.350 0.001 0.000 0.191 84 E C 1.288 177.898 176.600 0.015 0.000 0.978 84 E CA 0.546 56.955 56.400 0.016 0.000 0.839 84 E CB -0.058 29.650 29.700 0.013 0.000 0.787 84 E HN 0.348 nan 8.360 nan 0.000 0.473 85 D N 0.688 121.099 120.400 0.019 0.000 2.162 85 D HA -0.059 4.581 4.640 0.001 0.000 0.203 85 D C 1.950 178.264 176.300 0.023 0.000 0.967 85 D CA 0.521 54.527 54.000 0.011 0.000 0.840 85 D CB 0.194 41.002 40.800 0.013 0.000 0.972 85 D HN -0.021 nan 8.370 nan 0.000 0.482 86 V N 1.156 121.107 119.914 0.061 0.000 2.913 86 V HA -0.119 4.002 4.120 0.001 0.000 0.260 86 V C 2.246 178.371 176.094 0.052 0.000 1.098 86 V CA 1.071 63.429 62.300 0.097 0.000 1.121 86 V CB -0.238 31.648 31.823 0.105 0.000 0.714 86 V HN 0.069 nan 8.190 nan 0.000 0.487 87 K N 0.063 120.480 120.400 0.029 0.000 2.262 87 K HA 0.015 4.335 4.320 0.001 0.000 0.200 87 K C 1.981 178.586 176.600 0.008 0.000 1.049 87 K CA 0.584 56.882 56.287 0.019 0.000 0.979 87 K CB 0.128 32.638 32.500 0.015 0.000 0.773 87 K HN 0.577 nan 8.250 nan 0.000 0.474 88 E N 0.562 120.760 120.200 -0.003 0.000 2.152 88 E HA -0.037 4.314 4.350 0.001 0.000 0.192 88 E C 0.317 176.898 176.600 -0.031 0.000 0.983 88 E CA 0.306 56.697 56.400 -0.016 0.000 0.818 88 E CB -0.004 29.678 29.700 -0.029 0.000 0.758 88 E HN 0.229 nan 8.360 nan 0.000 0.467 89 I N 3.353 123.896 120.570 -0.046 0.000 2.578 89 I HA -0.058 4.113 4.170 0.001 0.000 0.286 89 I C 1.270 177.377 176.117 -0.016 0.000 1.126 89 I CA 0.155 61.418 61.300 -0.061 0.000 1.380 89 I CB 0.423 38.373 38.000 -0.083 0.000 1.408 89 I HN 0.032 nan 8.210 nan 0.000 0.532 90 K N 5.419 125.817 120.400 -0.003 0.000 2.664 90 K HA -0.091 4.230 4.320 0.001 0.000 0.193 90 K C 0.435 177.046 176.600 0.018 0.000 1.028 90 K CA 0.427 56.722 56.287 0.014 0.000 1.005 90 K CB -0.011 32.503 32.500 0.024 0.000 0.815 90 K HN 0.698 nan 8.250 nan 0.000 0.496 91 Q N 1.936 121.743 119.800 0.013 0.000 2.337 91 Q HA 0.160 4.501 4.340 0.001 0.000 0.266 91 Q C -1.212 174.806 176.000 0.031 0.000 1.023 91 Q CA -0.932 54.885 55.803 0.022 0.000 0.829 91 Q CB 1.614 30.361 28.738 0.015 0.000 1.306 91 Q HN 0.133 nan 8.270 nan 0.000 0.449 92 K N 2.777 123.198 120.400 0.035 0.000 2.430 92 K HA 0.045 4.366 4.320 0.001 0.000 0.280 92 K C -0.792 175.839 176.600 0.053 0.000 1.063 92 K CA 0.695 57.005 56.287 0.037 0.000 1.071 92 K CB 0.151 32.669 32.500 0.030 0.000 0.899 92 K HN 0.743 nan 8.250 nan 0.000 0.473 93 T N 0.745 115.337 114.554 0.064 0.000 2.773 93 T HA 0.422 4.773 4.350 0.001 0.000 0.278 93 T C -1.066 173.662 174.700 0.047 0.000 1.011 93 T CA -0.982 61.176 62.100 0.096 0.000 1.014 93 T CB 1.645 70.627 68.868 0.191 0.000 1.293 93 T HN 0.562 nan 8.240 nan 0.000 0.554 94 D N -1.301 119.109 120.400 0.017 0.000 2.300 94 D HA 0.500 5.141 4.640 0.001 0.000 0.218 94 D C -0.003 176.234 176.300 -0.105 0.000 1.326 94 D CA 0.881 54.862 54.000 -0.032 0.000 0.942 94 D CB 0.448 41.231 40.800 -0.027 0.000 1.495 94 D HN 1.233 nan 8.370 nan 0.000 0.545 95 G N 2.549 111.282 108.800 -0.111 0.000 2.422 95 G HA2 -0.112 3.849 3.960 0.001 0.000 0.607 95 G HA3 -0.112 3.849 3.960 0.001 0.000 0.607 95 G C -0.181 174.568 174.900 -0.252 0.000 1.270 95 G CA -0.318 44.678 45.100 -0.173 0.000 0.992 95 G HN 0.435 nan 8.290 nan 0.000 0.499 96 N N -0.658 117.872 118.700 -0.283 0.000 2.193 96 N HA 0.173 4.914 4.740 0.001 0.000 0.210 96 N C 0.470 175.716 175.510 -0.440 0.000 1.215 96 N CA 0.619 53.508 53.050 -0.268 0.000 0.901 96 N CB 0.752 39.191 38.487 -0.080 0.000 1.060 96 N HN 0.499 nan 8.380 nan 0.000 0.508 97 S N 0.667 116.093 115.700 -0.458 0.000 2.562 97 S HA 0.493 4.964 4.470 0.001 0.000 0.275 97 S C -0.666 173.506 174.600 -0.713 0.000 1.281 97 S CA -0.085 57.907 58.200 -0.347 0.000 1.045 97 S CB 0.671 63.912 63.200 0.068 0.000 0.962 97 S HN 0.035 nan 8.310 nan 0.000 0.503 98 F N 1.517 121.365 119.950 -0.170 0.000 2.557 98 F HA 0.433 4.960 4.527 0.001 0.000 0.316 98 F C -0.551 175.221 175.800 -0.047 0.000 1.141 98 F CA -0.952 56.986 58.000 -0.102 0.000 0.922 98 F CB 1.365 40.288 39.000 -0.128 0.000 1.194 98 F HN 0.318 nan 8.300 nan 0.000 0.443 99 L N 5.429 126.767 121.223 0.191 0.000 2.257 99 L HA 0.585 4.925 4.340 0.001 0.000 0.290 99 L C -0.789 176.156 176.870 0.124 0.000 1.044 99 L CA -0.196 54.735 54.840 0.152 0.000 0.810 99 L CB 0.256 42.371 42.059 0.093 0.000 1.193 99 L HN 0.456 nan 8.230 nan 0.000 0.425 100 I N 4.992 125.630 120.570 0.114 0.000 2.328 100 I HA 0.285 4.455 4.170 0.001 0.000 0.287 100 I C -0.423 175.741 176.117 0.078 0.000 1.012 100 I CA -0.522 60.823 61.300 0.076 0.000 1.195 100 I CB 0.902 38.934 38.000 0.052 0.000 1.350 100 I HN 0.582 nan 8.210 nan 0.000 0.464 101 N N 6.384 125.126 118.700 0.070 0.000 2.415 101 N HA 0.252 4.993 4.740 0.001 0.000 0.246 101 N C -0.660 174.895 175.510 0.074 0.000 1.078 101 N CA -0.436 52.665 53.050 0.084 0.000 0.942 101 N CB 0.942 39.484 38.487 0.092 0.000 1.140 101 N HN 0.397 nan 8.380 nan 0.000 0.501 102 L N 4.509 125.770 121.223 0.064 0.000 2.328 102 L HA 0.421 4.761 4.340 0.001 0.000 0.280 102 L C -1.085 175.804 176.870 0.032 0.000 1.111 102 L CA -0.551 54.312 54.840 0.039 0.000 0.909 102 L CB -0.284 41.788 42.059 0.022 0.000 1.277 102 L HN 0.394 nan 8.230 nan 0.000 0.433 103 I N 4.194 124.796 120.570 0.052 0.000 2.363 103 I HA 0.133 4.303 4.170 0.001 0.000 0.292 103 I C 0.599 176.707 176.117 -0.016 0.000 1.075 103 I CA -0.105 61.217 61.300 0.037 0.000 1.333 103 I CB 0.244 38.330 38.000 0.143 0.000 1.415 103 I HN 0.555 nan 8.210 nan 0.000 0.502 104 D N 4.260 124.613 120.400 -0.078 0.000 2.515 104 D HA 0.034 4.674 4.640 0.001 0.000 0.230 104 D C -0.433 175.830 176.300 -0.061 0.000 1.181 104 D CA 0.981 54.931 54.000 -0.085 0.000 0.875 104 D CB 0.635 41.355 40.800 -0.134 0.000 1.213 104 D HN 0.500 nan 8.370 nan 0.000 0.478 105 S N 1.359 117.024 115.700 -0.059 0.000 2.569 105 S HA 0.567 5.037 4.470 0.001 0.000 0.280 105 S C -2.399 172.150 174.600 -0.084 0.000 1.111 105 S CA -1.039 57.134 58.200 -0.046 0.000 0.887 105 S CB 1.899 65.089 63.200 -0.017 0.000 1.095 105 S HN 0.402 nan 8.310 nan 0.000 0.476 106 P HA 0.262 nan 4.420 nan 0.000 0.280 106 P C 0.767 178.010 177.300 -0.094 0.000 1.278 106 P CA -0.205 62.771 63.100 -0.206 0.000 0.787 106 P CB 0.266 31.828 31.700 -0.230 0.000 1.163 107 G N -1.896 106.870 108.800 -0.057 0.000 2.662 107 G HA2 0.006 3.967 3.960 0.001 0.000 0.207 107 G HA3 0.006 3.967 3.960 0.001 0.000 0.207 107 G C -0.165 174.789 174.900 0.089 0.000 1.154 107 G CA 0.495 45.620 45.100 0.042 0.000 0.837 107 G HN 0.470 nan 8.290 nan 0.000 0.580 108 H N -0.695 118.507 119.070 0.221 0.000 2.481 108 H HA 0.432 4.989 4.556 0.001 0.000 0.339 108 H C 1.043 176.531 175.328 0.266 0.000 1.131 108 H CA -0.481 55.694 56.048 0.212 0.000 1.301 108 H CB 2.287 32.187 29.762 0.231 0.000 1.476 108 H HN -0.105 nan 8.280 nan 0.000 0.529 109 V N 1.570 121.583 119.914 0.165 0.000 3.461 109 V HA -0.114 4.006 4.120 0.001 0.000 0.267 109 V C 0.908 177.065 176.094 0.104 0.000 1.186 109 V CA 0.962 63.338 62.300 0.126 0.000 1.154 109 V CB -0.273 31.571 31.823 0.036 0.000 0.802 109 V HN 0.774 nan 8.190 nan 0.000 0.474 110 D N 0.474 120.898 120.400 0.041 0.000 2.350 110 D HA -0.110 4.531 4.640 0.001 0.000 0.216 110 D C 1.412 177.582 176.300 -0.218 0.000 0.968 110 D CA 1.011 54.931 54.000 -0.133 0.000 0.894 110 D CB -0.124 40.529 40.800 -0.246 0.000 0.909 110 D HN 0.481 nan 8.370 nan 0.000 0.520 111 F N 1.335 121.323 119.950 0.064 0.000 2.795 111 F HA 0.004 4.532 4.527 0.001 0.000 0.303 111 F C 1.963 177.812 175.800 0.080 0.000 1.186 111 F CA -0.206 57.840 58.000 0.077 0.000 1.415 111 F CB -0.379 38.672 39.000 0.085 0.000 1.106 111 F HN -0.205 nan 8.300 nan 0.000 0.558 112 S N 0.547 116.336 115.700 0.149 0.000 2.456 112 S HA -0.443 4.028 4.470 0.001 0.000 0.359 112 S C 2.313 176.994 174.600 0.134 0.000 1.227 112 S CA 2.572 60.837 58.200 0.108 0.000 1.598 112 S CB -1.373 61.828 63.200 0.002 0.000 1.444 112 S HN 0.644 nan 8.310 nan 0.000 0.483 113 S N 3.019 118.779 115.700 0.100 0.000 2.404 113 S HA -0.327 4.144 4.470 0.001 0.000 0.230 113 S C 1.840 176.581 174.600 0.235 0.000 1.046 113 S CA 1.945 60.188 58.200 0.072 0.000 1.135 113 S CB -1.127 62.089 63.200 0.027 0.000 1.056 113 S HN 0.886 nan 8.310 nan 0.000 0.426 114 E N 1.352 121.790 120.200 0.395 0.000 2.338 114 E HA -0.066 4.285 4.350 0.001 0.000 0.197 114 E C 1.832 178.577 176.600 0.242 0.000 1.007 114 E CA 1.058 57.683 56.400 0.375 0.000 0.849 114 E CB -0.528 29.349 29.700 0.294 0.000 0.774 114 E HN 0.489 nan 8.360 nan 0.000 0.506 115 V N 1.620 121.664 119.914 0.217 0.000 2.270 115 V HA -0.222 3.898 4.120 0.001 0.000 0.245 115 V C 2.305 178.487 176.094 0.147 0.000 1.043 115 V CA 2.219 64.616 62.300 0.161 0.000 1.014 115 V CB -0.784 31.135 31.823 0.159 0.000 0.645 115 V HN 0.395 nan 8.190 nan 0.000 0.447 116 T N 0.363 115.011 114.554 0.156 0.000 2.977 116 T HA -0.063 4.287 4.350 0.001 0.000 0.271 116 T C 1.917 176.711 174.700 0.156 0.000 1.105 116 T CA 1.184 63.365 62.100 0.135 0.000 1.116 116 T CB -0.321 68.630 68.868 0.138 0.000 0.878 116 T HN 0.548 nan 8.240 nan 0.000 0.509 117 A N 1.961 124.910 122.820 0.213 0.000 1.825 117 A HA 0.229 4.549 4.320 0.001 0.000 0.214 117 A C 2.718 180.453 177.584 0.251 0.000 1.206 117 A CA 1.561 53.769 52.037 0.286 0.000 0.609 117 A CB -1.374 17.846 19.000 0.367 0.000 0.851 117 A HN 0.484 nan 8.150 nan 0.000 0.445 118 A N -0.595 122.351 122.820 0.210 0.000 2.032 118 A HA -0.074 4.246 4.320 0.001 0.000 0.221 118 A C 2.140 179.812 177.584 0.148 0.000 1.165 118 A CA 1.641 53.788 52.037 0.183 0.000 0.645 118 A CB -0.632 18.438 19.000 0.116 0.000 0.807 118 A HN 0.500 nan 8.150 nan 0.000 0.453 119 L N -1.823 119.472 121.223 0.120 0.000 2.095 119 L HA -0.046 4.295 4.340 0.001 0.000 0.204 119 L C 2.684 179.600 176.870 0.077 0.000 1.080 119 L CA 1.349 56.238 54.840 0.082 0.000 0.759 119 L CB -0.396 41.697 42.059 0.056 0.000 0.914 119 L HN 0.372 nan 8.230 nan 0.000 0.439 120 R N 0.318 120.868 120.500 0.082 0.000 2.193 120 R HA -0.121 4.219 4.340 0.001 0.000 0.229 120 R C 1.955 178.289 176.300 0.056 0.000 1.110 120 R CA 1.350 57.467 56.100 0.028 0.000 0.988 120 R CB 0.031 30.316 30.300 -0.025 0.000 0.871 120 R HN 0.413 nan 8.270 nan 0.000 0.458 121 V N -2.532 117.456 119.914 0.123 0.000 3.506 121 V HA 0.134 4.255 4.120 0.001 0.000 0.263 121 V C 0.897 177.045 176.094 0.091 0.000 1.203 121 V CA 0.491 62.875 62.300 0.139 0.000 1.133 121 V CB -0.147 31.782 31.823 0.177 0.000 0.802 121 V HN 0.271 nan 8.190 nan 0.000 0.459 122 T N -2.434 112.175 114.554 0.091 0.000 2.897 122 T HA 0.462 4.813 4.350 0.001 0.000 0.278 122 T C 0.273 175.005 174.700 0.052 0.000 0.981 122 T CA 0.078 62.217 62.100 0.064 0.000 0.973 122 T CB 1.937 70.844 68.868 0.066 0.000 1.092 122 T HN 0.224 nan 8.240 nan 0.000 0.543 123 D N -0.048 120.374 120.400 0.037 0.000 2.531 123 D HA 0.249 4.889 4.640 0.001 0.000 0.263 123 D C 1.057 177.380 176.300 0.039 0.000 1.057 123 D CA 0.320 54.343 54.000 0.039 0.000 0.909 123 D CB 0.127 40.941 40.800 0.023 0.000 1.236 123 D HN 0.774 nan 8.370 nan 0.000 0.494 124 G N -0.249 108.565 108.800 0.023 0.000 2.644 124 G HA2 0.681 4.642 3.960 0.001 0.000 0.307 124 G HA3 0.681 4.642 3.960 0.001 0.000 0.307 124 G C -1.348 173.554 174.900 0.004 0.000 1.250 124 G CA -0.428 44.678 45.100 0.010 0.000 0.996 124 G HN 0.195 nan 8.290 nan 0.000 0.489 125 A N -0.498 122.315 122.820 -0.012 0.000 2.513 125 A HA 0.549 4.869 4.320 0.001 0.000 0.296 125 A C -1.616 175.946 177.584 -0.037 0.000 1.052 125 A CA -0.522 51.505 52.037 -0.017 0.000 0.714 125 A CB 1.733 20.725 19.000 -0.014 0.000 1.279 125 A HN 1.280 nan 8.150 nan 0.000 0.397 126 L N 3.671 124.871 121.223 -0.038 0.000 2.287 126 L HA 0.520 4.860 4.340 0.001 0.000 0.280 126 L C -0.628 176.209 176.870 -0.055 0.000 1.055 126 L CA -0.182 54.623 54.840 -0.058 0.000 0.863 126 L CB 0.839 42.863 42.059 -0.058 0.000 1.245 126 L HN 0.436 nan 8.230 nan 0.000 0.432 127 V N 6.010 125.885 119.914 -0.065 0.000 2.397 127 V HA 0.105 4.225 4.120 0.001 0.000 0.262 127 V C 0.393 176.453 176.094 -0.056 0.000 1.047 127 V CA -0.419 61.851 62.300 -0.049 0.000 1.003 127 V CB 0.684 32.477 31.823 -0.051 0.000 1.037 127 V HN 0.435 nan 8.190 nan 0.000 0.480 128 V N 7.123 127.022 119.914 -0.026 0.000 2.299 128 V HA 0.188 4.309 4.120 0.001 0.000 0.255 128 V C 0.358 176.468 176.094 0.026 0.000 1.100 128 V CA -0.088 62.198 62.300 -0.025 0.000 0.938 128 V CB 0.804 32.624 31.823 -0.004 0.000 1.139 128 V HN 0.642 nan 8.190 nan 0.000 0.490 129 V N 3.449 123.348 119.914 -0.023 0.000 2.997 129 V HA 0.398 4.519 4.120 0.001 0.000 0.311 129 V C 0.043 176.061 176.094 -0.128 0.000 1.066 129 V CA -0.667 61.626 62.300 -0.011 0.000 1.039 129 V CB 2.102 33.916 31.823 -0.015 0.000 1.081 129 V HN 0.823 nan 8.190 nan 0.000 0.467 130 D N 0.157 120.411 120.400 -0.242 0.000 2.229 130 D HA 0.337 4.977 4.640 0.001 0.000 0.249 130 D C 0.915 177.151 176.300 -0.108 0.000 1.027 130 D CA -0.128 53.658 54.000 -0.356 0.000 0.923 130 D CB 2.069 42.410 40.800 -0.765 0.000 1.174 130 D HN 0.537 nan 8.370 nan 0.000 0.443 131 T N 1.805 116.337 114.554 -0.037 0.000 2.732 131 T HA -0.060 4.290 4.350 0.001 0.000 0.261 131 T C 1.732 176.473 174.700 0.068 0.000 1.040 131 T CA 0.928 63.102 62.100 0.123 0.000 1.145 131 T CB -0.163 68.827 68.868 0.203 0.000 0.866 131 T HN 0.350 nan 8.240 nan 0.000 0.427 132 I N 1.279 121.858 120.570 0.015 0.000 2.162 132 I HA -0.040 4.130 4.170 0.001 0.000 0.238 132 I C 2.401 178.520 176.117 0.004 0.000 1.076 132 I CA 1.446 62.753 61.300 0.011 0.000 1.353 132 I CB -0.548 37.457 38.000 0.008 0.000 1.063 132 I HN 0.253 nan 8.210 nan 0.000 0.408 133 E N 0.425 120.615 120.200 -0.018 0.000 2.285 133 E HA 0.147 4.498 4.350 0.001 0.000 0.194 133 E C 1.434 178.048 176.600 0.024 0.000 0.997 133 E CA 0.587 56.993 56.400 0.011 0.000 0.845 133 E CB -0.151 29.574 29.700 0.041 0.000 0.782 133 E HN 0.523 nan 8.360 nan 0.000 0.491 134 G N 0.891 109.691 108.800 0.001 0.000 2.528 134 G HA2 -0.319 3.641 3.960 0.001 0.000 0.262 134 G HA3 -0.319 3.641 3.960 0.001 0.000 0.262 134 G C -0.045 174.884 174.900 0.050 0.000 1.200 134 G CA -0.223 44.893 45.100 0.028 0.000 0.951 134 G HN 0.130 nan 8.290 nan 0.000 0.566 135 V N 1.848 121.799 119.914 0.062 0.000 2.405 135 V HA 0.394 4.515 4.120 0.001 0.000 0.264 135 V C 1.604 177.755 176.094 0.094 0.000 1.048 135 V CA -0.201 62.147 62.300 0.079 0.000 0.966 135 V CB -0.486 31.370 31.823 0.055 0.000 1.015 135 V HN 1.323 nan 8.190 nan 0.000 0.477 136 C N 4.464 123.846 119.300 0.138 0.000 2.563 136 C HA 0.469 4.930 4.460 0.001 0.000 0.358 136 C C 1.928 176.964 174.990 0.078 0.000 1.336 136 C CA -0.459 58.628 59.018 0.115 0.000 2.454 136 C CB 0.359 28.178 27.740 0.132 0.000 2.448 136 C HN 0.616 nan 8.230 nan 0.000 0.670 137 V N 1.327 121.277 119.914 0.061 0.000 2.287 137 V HA -0.257 3.863 4.120 0.001 0.000 0.248 137 V C 2.792 178.903 176.094 0.029 0.000 1.053 137 V CA 2.601 64.925 62.300 0.040 0.000 1.027 137 V CB -1.431 30.410 31.823 0.031 0.000 0.646 137 V HN 1.054 nan 8.190 nan 0.000 0.447 138 Q N 0.296 120.114 119.800 0.031 0.000 2.002 138 Q HA -0.243 4.097 4.340 0.001 0.000 0.204 138 Q C 2.223 178.226 176.000 0.005 0.000 0.988 138 Q CA 2.781 58.585 55.803 0.003 0.000 0.843 138 Q CB -0.433 28.285 28.738 -0.034 0.000 0.908 138 Q HN 0.612 nan 8.270 nan 0.000 0.420 139 T N 0.782 115.353 114.554 0.029 0.000 2.881 139 T HA -0.175 4.175 4.350 0.001 0.000 0.270 139 T C 1.479 176.190 174.700 0.018 0.000 1.068 139 T CA 1.416 63.534 62.100 0.031 0.000 1.131 139 T CB -0.191 68.721 68.868 0.072 0.000 0.871 139 T HN 0.444 nan 8.240 nan 0.000 0.479 140 E N 0.388 120.602 120.200 0.023 0.000 2.107 140 E HA -0.118 4.232 4.350 0.001 0.000 0.191 140 E C 2.023 178.605 176.600 -0.030 0.000 0.982 140 E CA 1.085 57.494 56.400 0.015 0.000 0.809 140 E CB 0.037 29.759 29.700 0.036 0.000 0.756 140 E HN 0.398 nan 8.360 nan 0.000 0.459 141 T N 0.684 115.218 114.554 -0.033 0.000 2.668 141 T HA -0.127 4.223 4.350 0.001 0.000 0.262 141 T C 1.985 176.638 174.700 -0.079 0.000 1.045 141 T CA 1.497 63.558 62.100 -0.064 0.000 1.152 141 T CB -0.367 68.490 68.868 -0.018 0.000 0.864 141 T HN 0.026 nan 8.240 nan 0.000 0.419 142 V N 1.797 121.689 119.914 -0.036 0.000 2.370 142 V HA -0.183 3.938 4.120 0.001 0.000 0.252 142 V C 2.431 178.487 176.094 -0.062 0.000 1.068 142 V CA 1.473 63.754 62.300 -0.031 0.000 1.061 142 V CB -0.825 30.993 31.823 -0.007 0.000 0.656 142 V HN 0.289 nan 8.190 nan 0.000 0.455 143 L N -0.009 121.178 121.223 -0.060 0.000 2.017 143 L HA -0.124 4.217 4.340 0.001 0.000 0.208 143 L C 2.587 179.393 176.870 -0.108 0.000 1.073 143 L CA 1.888 56.694 54.840 -0.058 0.000 0.745 143 L CB -0.711 41.335 42.059 -0.021 0.000 0.894 143 L HN 0.152 nan 8.230 nan 0.000 0.432 144 R N -1.097 119.280 120.500 -0.206 0.000 2.133 144 R HA -0.218 4.123 4.340 0.001 0.000 0.247 144 R C 2.257 178.358 176.300 -0.332 0.000 1.151 144 R CA 1.544 57.410 56.100 -0.390 0.000 0.971 144 R CB -0.239 29.656 30.300 -0.675 0.000 0.866 144 R HN 0.495 nan 8.270 nan 0.000 0.447 145 Q N -0.117 119.501 119.800 -0.303 0.000 1.967 145 Q HA -0.096 4.244 4.340 0.001 0.000 0.202 145 Q C 2.225 178.124 176.000 -0.168 0.000 0.985 145 Q CA 1.861 57.485 55.803 -0.299 0.000 0.839 145 Q CB -0.666 27.959 28.738 -0.189 0.000 0.906 145 Q HN 0.342 nan 8.270 nan 0.000 0.423 146 A N 1.027 123.789 122.820 -0.097 0.000 1.958 146 A HA -0.208 4.113 4.320 0.001 0.000 0.221 146 A C 2.294 179.851 177.584 -0.046 0.000 1.178 146 A CA 1.608 53.616 52.037 -0.049 0.000 0.642 146 A CB -0.897 18.084 19.000 -0.032 0.000 0.816 146 A HN 0.361 nan 8.150 nan 0.000 0.453 147 L N -1.082 120.104 121.223 -0.061 0.000 2.056 147 L HA -0.109 4.231 4.340 0.001 0.000 0.207 147 L C 2.838 179.681 176.870 -0.046 0.000 1.078 147 L CA 1.064 55.885 54.840 -0.033 0.000 0.749 147 L CB -0.884 41.181 42.059 0.010 0.000 0.901 147 L HN 0.490 nan 8.230 nan 0.000 0.433 148 G N -0.589 108.147 108.800 -0.106 0.000 2.432 148 G HA2 -0.192 3.768 3.960 0.001 0.000 0.219 148 G HA3 -0.192 3.768 3.960 0.001 0.000 0.219 148 G C 1.405 176.272 174.900 -0.055 0.000 1.135 148 G CA 0.313 45.349 45.100 -0.107 0.000 0.767 148 G HN 0.268 nan 8.290 nan 0.000 0.550 149 E N 0.116 120.288 120.200 -0.046 0.000 2.502 149 E HA 0.067 4.417 4.350 0.001 0.000 0.194 149 E C 0.672 177.294 176.600 0.037 0.000 1.062 149 E CA -0.137 56.258 56.400 -0.008 0.000 0.867 149 E CB 0.068 29.764 29.700 -0.006 0.000 0.888 149 E HN 0.415 nan 8.360 nan 0.000 0.510 150 R N 0.109 120.635 120.500 0.043 0.000 3.418 150 R HA -0.147 4.194 4.340 0.001 0.000 0.274 150 R C -0.472 175.900 176.300 0.121 0.000 1.108 150 R CA 0.277 56.438 56.100 0.101 0.000 0.741 150 R CB -2.267 28.171 30.300 0.229 0.000 1.223 150 R HN 0.139 nan 8.270 nan 0.000 0.434 151 I N 1.183 121.786 120.570 0.056 0.000 2.312 151 I HA 0.137 4.308 4.170 0.001 0.000 0.290 151 I C 0.663 176.792 176.117 0.019 0.000 1.008 151 I CA -0.933 60.395 61.300 0.046 0.000 1.226 151 I CB 1.347 39.361 38.000 0.023 0.000 1.371 151 I HN -0.034 nan 8.210 nan 0.000 0.468 152 K N 9.783 130.198 120.400 0.025 0.000 2.447 152 K HA 0.173 4.493 4.320 0.001 0.000 0.281 152 K C -2.392 174.186 176.600 -0.037 0.000 1.031 152 K CA -0.729 55.551 56.287 -0.011 0.000 1.019 152 K CB 0.456 32.958 32.500 0.003 0.000 0.918 152 K HN 0.216 nan 8.250 nan 0.000 0.476 153 P HA 0.221 nan 4.420 nan 0.000 0.290 153 P C -1.205 176.023 177.300 -0.120 0.000 1.275 153 P CA -0.669 62.381 63.100 -0.083 0.000 0.841 153 P CB 1.560 33.207 31.700 -0.087 0.000 1.042 154 V N 3.008 122.851 119.914 -0.118 0.000 2.525 154 V HA 0.193 4.313 4.120 0.001 0.000 0.299 154 V C 0.184 176.178 176.094 -0.166 0.000 1.034 154 V CA -0.744 61.464 62.300 -0.154 0.000 0.863 154 V CB 2.222 33.976 31.823 -0.116 0.000 0.999 154 V HN 0.278 nan 8.190 nan 0.000 0.423 155 V N 5.564 125.349 119.914 -0.216 0.000 2.567 155 V HA 0.552 4.672 4.120 0.001 0.000 0.289 155 V C -0.179 175.742 176.094 -0.288 0.000 1.049 155 V CA -0.412 61.756 62.300 -0.221 0.000 0.969 155 V CB 1.864 33.556 31.823 -0.219 0.000 0.995 155 V HN 0.575 nan 8.190 nan 0.000 0.471 156 V N 5.761 125.523 119.914 -0.253 0.000 2.498 156 V HA 0.376 4.497 4.120 0.001 0.000 0.283 156 V C -0.309 175.632 176.094 -0.255 0.000 1.015 156 V CA -0.252 61.865 62.300 -0.305 0.000 0.867 156 V CB 1.604 33.285 31.823 -0.238 0.000 1.025 156 V HN 0.693 nan 8.190 nan 0.000 0.441 157 I N 4.422 124.812 120.570 -0.299 0.000 2.347 157 I HA 0.234 4.404 4.170 0.001 0.000 0.294 157 I C 0.459 176.443 176.117 -0.221 0.000 1.090 157 I CA 0.226 61.409 61.300 -0.195 0.000 1.314 157 I CB 0.514 38.426 38.000 -0.147 0.000 1.423 157 I HN 0.599 nan 8.210 nan 0.000 0.503 158 N N 5.353 123.939 118.700 -0.189 0.000 2.482 158 N HA 0.277 5.018 4.740 0.001 0.000 0.279 158 N C -0.430 174.978 175.510 -0.170 0.000 1.182 158 N CA -0.452 52.474 53.050 -0.207 0.000 0.969 158 N CB 0.739 39.127 38.487 -0.165 0.000 1.201 158 N HN 0.364 nan 8.380 nan 0.000 0.523 159 K N -0.126 120.162 120.400 -0.186 0.000 3.181 159 K HA -0.130 4.191 4.320 0.001 0.000 0.269 159 K C 0.205 176.777 176.600 -0.047 0.000 1.097 159 K CA 0.202 56.413 56.287 -0.125 0.000 0.783 159 K CB -1.990 30.450 32.500 -0.099 0.000 1.267 159 K HN 0.265 nan 8.250 nan 0.000 0.484 160 V N 0.025 119.909 119.914 -0.050 0.000 2.809 160 V HA -0.226 3.895 4.120 0.001 0.000 0.256 160 V C 2.252 178.483 176.094 0.230 0.000 1.080 160 V CA 2.249 64.648 62.300 0.165 0.000 1.102 160 V CB -0.370 31.614 31.823 0.269 0.000 0.705 160 V HN 0.632 nan 8.190 nan 0.000 0.475 161 D N 0.905 121.404 120.400 0.165 0.000 2.144 161 D HA -0.288 4.353 4.640 0.001 0.000 0.199 161 D C 2.175 178.570 176.300 0.158 0.000 0.984 161 D CA 1.488 55.623 54.000 0.226 0.000 0.834 161 D CB -0.407 40.302 40.800 -0.152 0.000 0.955 161 D HN 0.337 nan 8.370 nan 0.000 0.465 162 R N -0.002 120.548 120.500 0.083 0.000 2.152 162 R HA -0.063 4.278 4.340 0.001 0.000 0.232 162 R C 2.033 178.384 176.300 0.086 0.000 1.117 162 R CA 1.232 57.376 56.100 0.074 0.000 0.981 162 R CB -0.275 30.048 30.300 0.038 0.000 0.870 162 R HN 0.325 nan 8.270 nan 0.000 0.451 163 A N 0.547 123.432 122.820 0.108 0.000 1.970 163 A HA 0.005 4.326 4.320 0.001 0.000 0.216 163 A C 1.971 179.612 177.584 0.096 0.000 1.170 163 A CA 0.667 52.767 52.037 0.104 0.000 0.645 163 A CB -0.113 18.967 19.000 0.134 0.000 0.816 163 A HN 0.274 nan 8.150 nan 0.000 0.447 164 L N -1.299 119.985 121.223 0.101 0.000 2.056 164 L HA -0.017 4.323 4.340 0.001 0.000 0.202 164 L C 2.284 179.197 176.870 0.072 0.000 1.086 164 L CA 0.401 55.262 54.840 0.036 0.000 0.758 164 L CB -0.903 41.147 42.059 -0.014 0.000 0.912 164 L HN 0.209 nan 8.230 nan 0.000 0.446 165 L N 0.148 121.450 121.223 0.131 0.000 2.051 165 L HA -0.228 4.112 4.340 0.001 0.000 0.214 165 L C 2.430 179.342 176.870 0.070 0.000 1.076 165 L CA 1.742 56.645 54.840 0.104 0.000 0.758 165 L CB -0.792 41.345 42.059 0.130 0.000 0.890 165 L HN 0.296 nan 8.230 nan 0.000 0.433 166 E N -0.838 119.405 120.200 0.071 0.000 2.023 166 E HA -0.090 4.261 4.350 0.001 0.000 0.195 166 E C 2.030 178.660 176.600 0.049 0.000 0.964 166 E CA 0.496 56.929 56.400 0.056 0.000 0.845 166 E CB -0.139 29.593 29.700 0.054 0.000 0.813 166 E HN 0.178 nan 8.360 nan 0.000 0.476 167 L N 1.023 122.277 121.223 0.051 0.000 2.265 167 L HA -0.114 4.226 4.340 0.001 0.000 0.215 167 L C 0.628 177.529 176.870 0.053 0.000 1.117 167 L CA 1.093 55.962 54.840 0.048 0.000 0.782 167 L CB -0.645 41.444 42.059 0.049 0.000 0.914 167 L HN 0.242 nan 8.230 nan 0.000 0.441 168 Q N -0.969 118.864 119.800 0.055 0.000 2.451 168 Q HA -0.198 4.143 4.340 0.001 0.000 0.305 168 Q C -0.031 176.024 176.000 0.092 0.000 1.345 168 Q CA 0.338 56.175 55.803 0.057 0.000 0.854 168 Q CB -1.686 27.080 28.738 0.047 0.000 1.162 168 Q HN 0.287 nan 8.270 nan 0.000 0.440 169 V N 1.005 120.988 119.914 0.115 0.000 2.811 169 V HA 0.269 4.389 4.120 0.001 0.000 0.302 169 V C 0.933 177.189 176.094 0.270 0.000 1.063 169 V CA 0.636 63.024 62.300 0.146 0.000 1.088 169 V CB 1.470 33.365 31.823 0.121 0.000 0.982 169 V HN 0.550 nan 8.190 nan 0.000 0.485 170 S N 5.557 121.359 115.700 0.169 0.000 2.641 170 S HA 0.287 4.758 4.470 0.001 0.000 0.261 170 S C 0.917 175.495 174.600 -0.036 0.000 1.257 170 S CA -0.166 58.105 58.200 0.118 0.000 0.983 170 S CB 0.624 63.836 63.200 0.020 0.000 0.990 170 S HN 0.753 nan 8.310 nan 0.000 0.572 171 K N 0.265 120.453 120.400 -0.353 0.000 2.057 171 K HA -0.110 4.211 4.320 0.001 0.000 0.206 171 K C 2.217 178.709 176.600 -0.180 0.000 1.050 171 K CA 1.524 57.494 56.287 -0.528 0.000 0.935 171 K CB -0.284 31.835 32.500 -0.635 0.000 0.715 171 K HN 0.703 nan 8.250 nan 0.000 0.439 172 E N 1.579 121.708 120.200 -0.118 0.000 2.047 172 E HA -0.176 4.175 4.350 0.001 0.000 0.191 172 E C 1.441 178.051 176.600 0.017 0.000 0.987 172 E CA 1.585 57.965 56.400 -0.034 0.000 0.799 172 E CB -0.101 29.569 29.700 -0.051 0.000 0.752 172 E HN 0.156 nan 8.360 nan 0.000 0.449 173 D N -0.027 120.365 120.400 -0.013 0.000 2.117 173 D HA -0.156 4.485 4.640 0.001 0.000 0.197 173 D C 1.923 178.180 176.300 -0.071 0.000 0.987 173 D CA 0.889 54.877 54.000 -0.020 0.000 0.829 173 D CB -0.268 40.529 40.800 -0.004 0.000 0.961 173 D HN 0.221 nan 8.370 nan 0.000 0.460 174 L N 0.128 121.306 121.223 -0.075 0.000 2.141 174 L HA -0.137 4.204 4.340 0.001 0.000 0.209 174 L C 2.147 178.730 176.870 -0.478 0.000 1.094 174 L CA 1.298 56.002 54.840 -0.227 0.000 0.763 174 L CB -0.769 41.264 42.059 -0.044 0.000 0.908 174 L HN 0.006 nan 8.230 nan 0.000 0.437 175 Y N -0.207 119.917 120.300 -0.294 0.000 2.163 175 Y HA -0.219 4.332 4.550 0.001 0.000 0.288 175 Y C 2.435 178.173 175.900 -0.270 0.000 1.136 175 Y CA 1.785 59.730 58.100 -0.257 0.000 1.147 175 Y CB -0.171 38.198 38.460 -0.152 0.000 0.987 175 Y HN 0.264 nan 8.280 nan 0.000 0.509 176 Q N -0.324 119.351 119.800 -0.208 0.000 2.226 176 Q HA -0.148 4.192 4.340 0.001 0.000 0.204 176 Q C 2.150 178.009 176.000 -0.234 0.000 0.975 176 Q CA 1.876 57.554 55.803 -0.208 0.000 0.866 176 Q CB -0.724 27.982 28.738 -0.053 0.000 0.915 176 Q HN 0.512 nan 8.270 nan 0.000 0.440 177 T N 0.948 115.328 114.554 -0.290 0.000 2.746 177 T HA -0.089 4.261 4.350 0.001 0.000 0.267 177 T C 1.425 176.074 174.700 -0.086 0.000 1.039 177 T CA 1.041 63.006 62.100 -0.224 0.000 1.142 177 T CB -0.209 68.474 68.868 -0.309 0.000 0.866 177 T HN 0.153 nan 8.240 nan 0.000 0.444 178 F N 1.586 121.498 119.950 -0.063 0.000 2.259 178 F HA 0.255 4.782 4.527 0.001 0.000 0.298 178 F C 2.608 178.435 175.800 0.045 0.000 1.088 178 F CA -0.173 57.833 58.000 0.009 0.000 1.358 178 F CB -1.363 37.647 39.000 0.016 0.000 1.040 178 F HN 0.139 nan 8.300 nan 0.000 0.505 179 A N 0.243 123.112 122.820 0.082 0.000 2.015 179 A HA -0.118 4.203 4.320 0.001 0.000 0.219 179 A C 2.372 180.000 177.584 0.073 0.000 1.163 179 A CA 1.044 53.136 52.037 0.091 0.000 0.646 179 A CB -0.467 18.409 19.000 -0.207 0.000 0.806 179 A HN 0.277 nan 8.150 nan 0.000 0.448 180 R N -1.109 119.408 120.500 0.029 0.000 2.093 180 R HA -0.024 4.316 4.340 0.001 0.000 0.224 180 R C 2.162 178.496 176.300 0.056 0.000 1.101 180 R CA 1.551 57.670 56.100 0.032 0.000 0.979 180 R CB -0.714 29.592 30.300 0.009 0.000 0.877 180 R HN 0.471 nan 8.270 nan 0.000 0.441 181 T N 1.275 115.880 114.554 0.085 0.000 2.643 181 T HA -0.093 4.257 4.350 0.001 0.000 0.264 181 T C 1.978 176.720 174.700 0.069 0.000 1.045 181 T CA 1.414 63.568 62.100 0.091 0.000 1.155 181 T CB -0.205 68.753 68.868 0.151 0.000 0.863 181 T HN -0.024 nan 8.240 nan 0.000 0.420 182 V N 1.711 121.678 119.914 0.087 0.000 2.867 182 V HA -0.075 4.046 4.120 0.001 0.000 0.260 182 V C 2.571 178.684 176.094 0.031 0.000 1.099 182 V CA 1.246 63.565 62.300 0.032 0.000 1.122 182 V CB -0.566 31.265 31.823 0.014 0.000 0.708 182 V HN 0.362 nan 8.190 nan 0.000 0.490 183 E N 0.435 120.670 120.200 0.059 0.000 2.076 183 E HA -0.093 4.257 4.350 0.001 0.000 0.190 183 E C 2.444 179.059 176.600 0.026 0.000 0.979 183 E CA 1.286 57.716 56.400 0.050 0.000 0.807 183 E CB -0.089 29.645 29.700 0.057 0.000 0.761 183 E HN 0.554 nan 8.360 nan 0.000 0.454 184 S N 0.116 115.833 115.700 0.028 0.000 2.419 184 S HA -0.105 4.365 4.470 0.001 0.000 0.233 184 S C 2.081 176.690 174.600 0.016 0.000 1.016 184 S CA 0.993 59.207 58.200 0.024 0.000 0.974 184 S CB -0.080 63.139 63.200 0.032 0.000 0.786 184 S HN 0.077 nan 8.310 nan 0.000 0.492 185 V N 3.291 123.207 119.914 0.004 0.000 2.255 185 V HA -0.172 3.948 4.120 0.001 0.000 0.243 185 V C 2.419 178.492 176.094 -0.036 0.000 1.038 185 V CA 1.878 64.168 62.300 -0.017 0.000 1.008 185 V CB -0.990 30.806 31.823 -0.045 0.000 0.645 185 V HN 0.615 nan 8.190 nan 0.000 0.449 186 N N 1.202 119.871 118.700 -0.051 0.000 2.149 186 N HA -0.177 4.563 4.740 0.001 0.000 0.188 186 N C 1.518 176.995 175.510 -0.056 0.000 1.019 186 N CA 2.167 55.175 53.050 -0.070 0.000 0.857 186 N CB -0.834 37.621 38.487 -0.052 0.000 0.997 186 N HN 0.266 nan 8.380 nan 0.000 0.426 187 V N 0.907 120.799 119.914 -0.037 0.000 2.287 187 V HA -0.210 3.910 4.120 0.001 0.000 0.248 187 V C 2.439 178.472 176.094 -0.100 0.000 1.053 187 V CA 1.454 63.720 62.300 -0.056 0.000 1.027 187 V CB -0.525 31.280 31.823 -0.031 0.000 0.646 187 V HN 0.340 nan 8.190 nan 0.000 0.447 188 I N -0.199 120.345 120.570 -0.044 0.000 2.252 188 I HA -0.160 4.011 4.170 0.001 0.000 0.245 188 I C 2.477 178.584 176.117 -0.016 0.000 1.102 188 I CA 1.419 62.726 61.300 0.010 0.000 1.385 188 I CB -1.129 36.957 38.000 0.143 0.000 1.064 188 I HN 0.184 nan 8.210 nan 0.000 0.414 189 V N 1.515 121.410 119.914 -0.032 0.000 2.261 189 V HA -0.274 3.847 4.120 0.001 0.000 0.246 189 V C 2.760 178.803 176.094 -0.086 0.000 1.047 189 V CA 2.266 64.535 62.300 -0.051 0.000 1.015 189 V CB -1.153 30.612 31.823 -0.097 0.000 0.642 189 V HN 0.559 nan 8.190 nan 0.000 0.446 190 S N -0.536 115.100 115.700 -0.108 0.000 2.382 190 S HA -0.224 4.247 4.470 0.001 0.000 0.228 190 S C 1.929 176.436 174.600 -0.155 0.000 1.027 190 S CA 1.950 60.086 58.200 -0.107 0.000 0.991 190 S CB -0.858 62.294 63.200 -0.081 0.000 0.823 190 S HN 0.580 nan 8.310 nan 0.000 0.469 191 T N 1.398 115.794 114.554 -0.263 0.000 2.614 191 T HA -0.046 4.305 4.350 0.001 0.000 0.263 191 T C 1.159 175.601 174.700 -0.429 0.000 1.055 191 T CA 1.752 63.590 62.100 -0.436 0.000 1.162 191 T CB -0.592 67.822 68.868 -0.756 0.000 0.863 191 T HN 0.612 nan 8.240 nan 0.000 0.414 192 Y N 1.194 121.463 120.300 -0.052 0.000 2.490 192 Y HA 0.583 5.133 4.550 0.001 0.000 0.281 192 Y C 1.035 176.895 175.900 -0.067 0.000 1.174 192 Y CA -1.125 56.938 58.100 -0.062 0.000 1.295 192 Y CB -0.544 37.873 38.460 -0.073 0.000 1.062 192 Y HN 0.119 nan 8.280 nan 0.000 0.522 193 A N 0.232 123.058 122.820 0.009 0.000 2.289 193 A HA 0.326 4.647 4.320 0.001 0.000 0.298 193 A C -0.389 177.174 177.584 -0.035 0.000 1.208 193 A CA -0.746 51.282 52.037 -0.016 0.000 0.845 193 A CB -0.056 18.916 19.000 -0.047 0.000 1.125 193 A HN 0.221 nan 8.150 nan 0.000 0.517 194 D N 1.644 122.021 120.400 -0.037 0.000 2.515 194 D HA 0.071 4.711 4.640 0.001 0.000 0.232 194 D C 1.127 177.388 176.300 -0.065 0.000 1.157 194 D CA 0.759 54.730 54.000 -0.048 0.000 0.871 194 D CB 0.656 41.421 40.800 -0.059 0.000 1.200 194 D HN 0.681 nan 8.370 nan 0.000 0.466 195 E N 0.684 120.852 120.200 -0.054 0.000 2.152 195 E HA -0.115 4.235 4.350 0.001 0.000 0.192 195 E C 1.920 178.478 176.600 -0.071 0.000 0.983 195 E CA 0.484 56.852 56.400 -0.054 0.000 0.818 195 E CB 0.071 29.749 29.700 -0.038 0.000 0.758 195 E HN 0.234 nan 8.360 nan 0.000 0.467 196 V N 1.925 121.789 119.914 -0.083 0.000 2.287 196 V HA -0.268 3.853 4.120 0.001 0.000 0.248 196 V C 2.338 178.320 176.094 -0.187 0.000 1.053 196 V CA 1.563 63.795 62.300 -0.113 0.000 1.027 196 V CB -0.569 31.190 31.823 -0.106 0.000 0.646 196 V HN 0.286 nan 8.190 nan 0.000 0.447 197 L N 0.042 121.121 121.223 -0.241 0.000 2.261 197 L HA 0.071 4.412 4.340 0.001 0.000 0.216 197 L C 1.368 178.133 176.870 -0.175 0.000 1.114 197 L CA 0.962 55.621 54.840 -0.300 0.000 0.777 197 L CB -1.196 40.711 42.059 -0.253 0.000 0.910 197 L HN 0.649 nan 8.230 nan 0.000 0.440 198 G N 0.629 109.359 108.800 -0.118 0.000 2.782 198 G HA2 -0.245 3.715 3.960 0.001 0.000 0.228 198 G HA3 -0.245 3.715 3.960 0.001 0.000 0.228 198 G C -0.619 174.245 174.900 -0.059 0.000 1.372 198 G CA -0.258 44.799 45.100 -0.072 0.000 0.862 198 G HN 0.430 nan 8.290 nan 0.000 0.547 199 D N -0.875 119.509 120.400 -0.027 0.000 2.434 199 D HA 0.261 4.901 4.640 0.001 0.000 0.252 199 D C 0.797 177.072 176.300 -0.043 0.000 1.185 199 D CA 0.316 54.307 54.000 -0.015 0.000 0.886 199 D CB 1.642 42.473 40.800 0.053 0.000 1.148 199 D HN 1.113 nan 8.370 nan 0.000 0.483 200 V N 1.817 121.673 119.914 -0.097 0.000 3.380 200 V HA 0.038 4.158 4.120 0.001 0.000 0.307 200 V C 0.510 176.451 176.094 -0.255 0.000 1.434 200 V CA -0.189 62.027 62.300 -0.140 0.000 1.075 200 V CB -0.599 31.157 31.823 -0.112 0.000 0.954 200 V HN 0.529 nan 8.190 nan 0.000 0.444 201 Q N 1.086 120.684 119.800 -0.337 0.000 2.326 201 Q HA 0.088 4.428 4.340 0.001 0.000 0.314 201 Q C 0.035 175.487 176.000 -0.913 0.000 1.091 201 Q CA 0.686 56.151 55.803 -0.564 0.000 0.974 201 Q CB 1.153 29.555 28.738 -0.561 0.000 1.220 201 Q HN 0.565 nan 8.270 nan 0.000 0.398 202 V N 1.090 120.609 119.914 -0.660 0.000 2.408 202 V HA 0.282 4.403 4.120 0.001 0.000 0.267 202 V C -1.033 174.715 176.094 -0.578 0.000 1.047 202 V CA -0.544 61.413 62.300 -0.571 0.000 0.937 202 V CB -0.222 31.387 31.823 -0.357 0.000 0.999 202 V HN 0.469 nan 8.190 nan 0.000 0.472 203 Y N 5.265 125.419 120.300 -0.243 0.000 2.328 203 Y HA 0.501 5.051 4.550 0.001 0.000 0.336 203 Y C -1.908 173.775 175.900 -0.362 0.000 0.960 203 Y CA -2.650 55.287 58.100 -0.271 0.000 1.134 203 Y CB 1.987 40.339 38.460 -0.179 0.000 1.166 203 Y HN 0.410 nan 8.280 nan 0.000 0.464 204 P HA -0.143 nan 4.420 nan 0.000 0.217 204 P C 1.107 178.278 177.300 -0.216 0.000 1.150 204 P CA 1.922 64.752 63.100 -0.450 0.000 0.832 204 P CB 0.343 31.456 31.700 -0.979 0.000 0.787 205 A N -0.593 122.083 122.820 -0.240 0.000 2.239 205 A HA -0.063 4.257 4.320 0.001 0.000 0.209 205 A C 1.836 179.455 177.584 0.058 0.000 1.171 205 A CA 0.893 52.952 52.037 0.038 0.000 0.768 205 A CB -0.819 18.256 19.000 0.126 0.000 0.790 205 A HN 0.142 nan 8.150 nan 0.000 0.478 206 R N -2.230 118.285 120.500 0.025 0.000 2.419 206 R HA 0.273 4.613 4.340 0.001 0.000 0.235 206 R C 1.049 177.391 176.300 0.069 0.000 0.899 206 R CA 0.548 56.682 56.100 0.057 0.000 1.048 206 R CB 0.515 30.860 30.300 0.075 0.000 1.182 206 R HN 0.618 nan 8.270 nan 0.000 0.544 207 G N 1.463 110.271 108.800 0.014 0.000 2.134 207 G HA2 -0.255 3.706 3.960 0.001 0.000 0.209 207 G HA3 -0.255 3.706 3.960 0.001 0.000 0.209 207 G C 0.607 175.445 174.900 -0.103 0.000 0.993 207 G CA 0.523 45.664 45.100 0.068 0.000 0.669 207 G HN 0.361 nan 8.290 nan 0.000 0.519 208 T N -2.319 112.005 114.554 -0.384 0.000 3.186 208 T HA 0.596 4.947 4.350 0.001 0.000 0.257 208 T C 0.134 174.600 174.700 -0.391 0.000 1.029 208 T CA 0.238 62.016 62.100 -0.537 0.000 0.916 208 T CB 1.156 69.646 68.868 -0.629 0.000 1.041 208 T HN 0.942 nan 8.240 nan 0.000 0.562 209 V N 1.006 120.679 119.914 -0.402 0.000 2.653 209 V HA 0.750 4.871 4.120 0.001 0.000 0.298 209 V C -0.300 175.209 176.094 -0.975 0.000 1.097 209 V CA -1.162 60.802 62.300 -0.559 0.000 0.908 209 V CB 1.218 32.756 31.823 -0.475 0.000 1.024 209 V HN 0.618 nan 8.190 nan 0.000 0.435 210 A N 4.715 126.911 122.820 -1.040 0.000 2.299 210 A HA 1.068 5.389 4.320 0.001 0.000 0.332 210 A C -1.218 175.378 177.584 -1.646 0.000 1.131 210 A CA -0.460 50.799 52.037 -1.296 0.000 0.844 210 A CB 1.249 19.874 19.000 -0.626 0.000 1.251 210 A HN 0.722 nan 8.150 nan 0.000 0.486 211 F N -0.634 118.842 119.950 -0.791 0.000 2.569 211 F HA 0.774 5.302 4.527 0.001 0.000 0.312 211 F C 0.548 175.869 175.800 -0.798 0.000 1.109 211 F CA -0.026 57.446 58.000 -0.880 0.000 0.919 211 F CB 2.206 40.532 39.000 -1.123 0.000 1.211 211 F HN 1.058 nan 8.300 nan 0.000 0.446 212 G N 0.182 108.638 108.800 -0.572 0.000 2.321 212 G HA2 0.462 4.422 3.960 0.001 0.000 0.296 212 G HA3 0.462 4.422 3.960 0.001 0.000 0.296 212 G C -2.075 172.252 174.900 -0.956 0.000 1.287 212 G CA -0.776 43.682 45.100 -1.070 0.000 0.846 212 G HN 0.718 nan 8.290 nan 0.000 0.508 213 S N -1.534 113.446 115.700 -1.200 0.000 2.521 213 S HA 0.620 5.090 4.470 0.001 0.000 0.295 213 S C 1.145 175.536 174.600 -0.348 0.000 1.098 213 S CA 0.643 58.461 58.200 -0.636 0.000 0.999 213 S CB 1.396 64.252 63.200 -0.573 0.000 1.034 213 S HN 1.683 nan 8.310 nan 0.000 0.483 214 G N 2.998 111.694 108.800 -0.174 0.000 2.453 214 G HA2 -0.012 3.949 3.960 0.001 0.000 0.215 214 G HA3 -0.012 3.949 3.960 0.001 0.000 0.215 214 G C 1.205 176.127 174.900 0.036 0.000 1.147 214 G CA 0.592 45.657 45.100 -0.058 0.000 0.802 214 G HN 0.621 nan 8.290 nan 0.000 0.535 215 L N 0.699 121.960 121.223 0.063 0.000 1.970 215 L HA -0.106 4.235 4.340 0.001 0.000 0.212 215 L C 2.505 179.581 176.870 0.344 0.000 1.071 215 L CA 2.082 57.038 54.840 0.193 0.000 0.751 215 L CB -0.697 41.506 42.059 0.239 0.000 0.889 215 L HN 0.260 nan 8.230 nan 0.000 0.432 216 H N 0.043 119.200 119.070 0.145 0.000 2.502 216 H HA 0.321 4.877 4.556 0.001 0.000 0.283 216 H C 1.575 177.062 175.328 0.266 0.000 1.015 216 H CA 0.174 56.374 56.048 0.252 0.000 1.298 216 H CB -0.443 29.615 29.762 0.493 0.000 1.411 216 H HN 0.505 nan 8.280 nan 0.000 0.556 217 G N -0.339 108.641 108.800 0.300 0.000 2.165 217 G HA2 -0.178 3.782 3.960 0.001 0.000 0.226 217 G HA3 -0.178 3.782 3.960 0.001 0.000 0.226 217 G C -0.076 175.006 174.900 0.304 0.000 1.035 217 G CA 0.252 45.485 45.100 0.222 0.000 0.744 217 G HN 0.487 nan 8.290 nan 0.000 0.501 218 W N -1.016 120.389 121.300 0.175 0.000 2.864 218 W HA 0.865 5.526 4.660 0.001 0.000 0.343 218 W C -0.294 176.313 176.519 0.146 0.000 1.109 218 W CA -1.495 55.956 57.345 0.178 0.000 1.192 218 W CB 1.598 31.226 29.460 0.281 0.000 1.426 218 W HN 1.210 nan 8.180 nan 0.000 0.529 219 A N 2.920 125.934 122.820 0.324 0.000 2.590 219 A HA 0.766 5.086 4.320 0.001 0.000 0.296 219 A C -2.090 175.650 177.584 0.260 0.000 1.050 219 A CA -0.746 51.336 52.037 0.076 0.000 0.697 219 A CB 0.936 19.856 19.000 -0.134 0.000 1.277 219 A HN 1.110 nan 8.150 nan 0.000 0.411 220 F N -0.468 119.575 119.950 0.156 0.000 2.626 220 F HA 0.900 5.427 4.527 0.001 0.000 0.311 220 F C -0.159 175.692 175.800 0.084 0.000 1.088 220 F CA -0.250 57.823 58.000 0.121 0.000 0.949 220 F CB 1.595 40.753 39.000 0.263 0.000 1.322 220 F HN 0.836 nan 8.300 nan 0.000 0.461 221 T N 0.263 114.969 114.554 0.254 0.000 2.885 221 T HA 0.441 4.792 4.350 0.001 0.000 0.285 221 T C 0.812 175.799 174.700 0.478 0.000 1.019 221 T CA -0.809 61.381 62.100 0.150 0.000 1.010 221 T CB 1.394 70.269 68.868 0.012 0.000 1.022 221 T HN 0.650 nan 8.240 nan 0.000 0.466 222 I N 1.080 121.973 120.570 0.539 0.000 2.264 222 I HA -0.110 4.061 4.170 0.001 0.000 0.248 222 I C 2.546 178.909 176.117 0.411 0.000 1.111 222 I CA 1.453 63.128 61.300 0.624 0.000 1.382 222 I CB -1.103 37.221 38.000 0.541 0.000 1.060 222 I HN 0.831 nan 8.210 nan 0.000 0.418 223 R N 0.826 121.480 120.500 0.257 0.000 2.285 223 R HA -0.144 4.197 4.340 0.001 0.000 0.213 223 R C 2.076 178.449 176.300 0.121 0.000 1.068 223 R CA 0.842 57.044 56.100 0.169 0.000 1.004 223 R CB 0.128 30.496 30.300 0.112 0.000 0.873 223 R HN 0.498 nan 8.270 nan 0.000 0.467 224 Q N -0.916 118.947 119.800 0.106 0.000 2.061 224 Q HA -0.056 4.284 4.340 0.001 0.000 0.195 224 Q C 1.180 177.136 176.000 -0.073 0.000 0.967 224 Q CA 1.045 56.816 55.803 -0.053 0.000 0.829 224 Q CB 0.085 28.711 28.738 -0.187 0.000 0.900 224 Q HN 0.301 nan 8.270 nan 0.000 0.450 225 F N 0.111 120.133 119.950 0.120 0.000 2.802 225 F HA 0.079 4.606 4.527 0.001 0.000 0.300 225 F C 1.743 177.647 175.800 0.173 0.000 1.168 225 F CA 0.491 58.539 58.000 0.080 0.000 1.433 225 F CB -0.087 39.015 39.000 0.170 0.000 1.115 225 F HN 0.059 nan 8.300 nan 0.000 0.582 226 A N -1.226 121.785 122.820 0.318 0.000 2.095 226 A HA 0.033 4.354 4.320 0.001 0.000 0.212 226 A C 2.050 179.731 177.584 0.162 0.000 1.162 226 A CA 1.096 53.294 52.037 0.267 0.000 0.753 226 A CB -0.629 18.507 19.000 0.227 0.000 0.840 226 A HN 0.227 nan 8.150 nan 0.000 0.468 227 T N -0.695 113.917 114.554 0.096 0.000 3.067 227 T HA 0.066 4.417 4.350 0.001 0.000 0.257 227 T C 1.910 176.615 174.700 0.009 0.000 1.105 227 T CA 0.581 62.707 62.100 0.042 0.000 1.104 227 T CB 0.043 68.917 68.868 0.009 0.000 0.925 227 T HN 0.437 nan 8.240 nan 0.000 0.498 228 R N 0.059 120.549 120.500 -0.017 0.000 2.055 228 R HA 0.124 4.464 4.340 0.001 0.000 0.221 228 R C 1.613 177.826 176.300 -0.145 0.000 1.154 228 R CA 0.870 56.895 56.100 -0.125 0.000 0.975 228 R CB -0.282 29.885 30.300 -0.223 0.000 0.869 228 R HN 0.307 nan 8.270 nan 0.000 0.437 229 Y N 0.888 121.204 120.300 0.027 0.000 2.632 229 Y HA 0.053 4.603 4.550 0.001 0.000 0.301 229 Y C 2.073 177.980 175.900 0.011 0.000 1.172 229 Y CA 0.279 58.321 58.100 -0.097 0.000 1.328 229 Y CB -0.449 37.968 38.460 -0.072 0.000 1.016 229 Y HN 0.180 nan 8.280 nan 0.000 0.529 230 A N 0.220 123.141 122.820 0.169 0.000 1.898 230 A HA -0.153 4.168 4.320 0.001 0.000 0.216 230 A C 2.222 179.865 177.584 0.099 0.000 1.181 230 A CA 1.414 53.536 52.037 0.142 0.000 0.620 230 A CB -0.236 18.819 19.000 0.093 0.000 0.819 230 A HN 0.357 nan 8.150 nan 0.000 0.442 231 K N -0.170 120.256 120.400 0.045 0.000 2.076 231 K HA -0.028 4.293 4.320 0.001 0.000 0.204 231 K C 2.037 178.637 176.600 0.001 0.000 1.051 231 K CA 1.150 57.449 56.287 0.020 0.000 0.949 231 K CB -0.126 32.372 32.500 -0.004 0.000 0.726 231 K HN 0.355 nan 8.250 nan 0.000 0.443 232 K N 0.397 120.761 120.400 -0.060 0.000 1.991 232 K HA -0.110 4.211 4.320 0.001 0.000 0.212 232 K C 1.343 177.869 176.600 -0.123 0.000 1.049 232 K CA 1.361 57.553 56.287 -0.157 0.000 0.932 232 K CB -0.233 32.076 32.500 -0.319 0.000 0.717 232 K HN -0.079 nan 8.250 nan 0.000 0.441 233 F N -0.362 119.606 119.950 0.031 0.000 2.033 233 F HA 0.172 4.699 4.527 0.001 0.000 0.215 233 F C 1.690 177.509 175.800 0.032 0.000 0.855 233 F CA 0.381 58.395 58.000 0.022 0.000 1.163 233 F CB -0.322 38.675 39.000 -0.005 0.000 2.041 233 F HN 0.087 nan 8.300 nan 0.000 0.590 234 G N -0.443 108.526 108.800 0.281 0.000 4.867 234 G HA2 0.499 4.460 3.960 0.001 0.000 0.258 234 G HA3 0.499 4.460 3.960 0.001 0.000 0.258 234 G C -1.625 173.328 174.900 0.088 0.000 0.999 234 G CA -0.060 45.127 45.100 0.145 0.000 0.797 234 G HN 0.262 nan 8.290 nan 0.000 0.505 235 V N 1.041 121.004 119.914 0.082 0.000 2.823 235 V HA 0.398 4.519 4.120 0.001 0.000 0.312 235 V C -0.241 175.869 176.094 0.027 0.000 1.072 235 V CA -1.163 61.144 62.300 0.013 0.000 0.937 235 V CB 2.207 33.982 31.823 -0.080 0.000 1.013 235 V HN 0.539 nan 8.190 nan 0.000 0.430 236 D N 2.119 122.524 120.400 0.009 0.000 2.390 236 D HA 0.028 4.668 4.640 0.001 0.000 0.236 236 D C 1.027 177.340 176.300 0.022 0.000 1.189 236 D CA -0.220 53.791 54.000 0.018 0.000 0.887 236 D CB 0.617 41.423 40.800 0.009 0.000 1.198 236 D HN 0.723 nan 8.370 nan 0.000 0.444 237 K N 0.574 120.998 120.400 0.040 0.000 2.439 237 K HA -0.058 4.263 4.320 0.001 0.000 0.197 237 K C 1.698 178.326 176.600 0.046 0.000 1.041 237 K CA 0.604 56.926 56.287 0.059 0.000 0.970 237 K CB -0.138 32.405 32.500 0.071 0.000 0.773 237 K HN 0.412 nan 8.250 nan 0.000 0.479 238 A N 2.894 125.729 122.820 0.026 0.000 1.841 238 A HA -0.207 4.113 4.320 0.001 0.000 0.216 238 A C 2.202 179.788 177.584 0.004 0.000 1.199 238 A CA 1.886 53.934 52.037 0.020 0.000 0.621 238 A CB -0.567 18.438 19.000 0.009 0.000 0.835 238 A HN 0.395 nan 8.150 nan 0.000 0.445 239 K N -1.528 118.854 120.400 -0.030 0.000 2.288 239 K HA -0.080 4.240 4.320 0.001 0.000 0.201 239 K C 1.910 178.440 176.600 -0.117 0.000 1.048 239 K CA 1.369 57.608 56.287 -0.078 0.000 0.956 239 K CB -0.149 32.283 32.500 -0.114 0.000 0.746 239 K HN 0.386 nan 8.250 nan 0.000 0.461 240 M N 1.391 120.952 119.600 -0.066 0.000 2.156 240 M HA -0.100 4.380 4.480 0.001 0.000 0.264 240 M C 1.962 178.297 176.300 0.058 0.000 1.067 240 M CA 1.460 56.734 55.300 -0.043 0.000 1.131 240 M CB -0.160 32.474 32.600 0.058 0.000 1.368 240 M HN 0.271 nan 8.290 nan 0.000 0.416 241 M N -2.258 117.404 119.600 0.103 0.000 2.132 241 M HA -0.127 4.353 4.480 0.001 0.000 0.263 241 M C 1.779 178.188 176.300 0.182 0.000 1.065 241 M CA 2.107 57.515 55.300 0.181 0.000 1.122 241 M CB -1.298 31.398 32.600 0.159 0.000 1.365 241 M HN 0.186 nan 8.290 nan 0.000 0.411 242 D N 1.259 121.716 120.400 0.096 0.000 2.106 242 D HA -0.187 4.454 4.640 0.001 0.000 0.191 242 D C 2.076 178.434 176.300 0.097 0.000 0.997 242 D CA 1.761 55.811 54.000 0.083 0.000 0.834 242 D CB -0.048 40.757 40.800 0.009 0.000 0.956 242 D HN 0.485 nan 8.370 nan 0.000 0.448 243 R N 0.005 120.506 120.500 0.002 0.000 2.081 243 R HA -0.031 4.310 4.340 0.001 0.000 0.235 243 R C 2.677 179.087 176.300 0.183 0.000 1.131 243 R CA 0.529 56.625 56.100 -0.007 0.000 0.960 243 R CB -0.365 29.733 30.300 -0.337 0.000 0.856 243 R HN 0.255 nan 8.270 nan 0.000 0.436 244 L N -0.498 120.895 121.223 0.283 0.000 2.283 244 L HA -0.197 4.144 4.340 0.001 0.000 0.217 244 L C 1.170 178.371 176.870 0.552 0.000 1.104 244 L CA 0.850 55.971 54.840 0.468 0.000 0.772 244 L CB -0.360 42.020 42.059 0.536 0.000 0.899 244 L HN 0.353 nan 8.230 nan 0.000 0.439 245 W N -0.140 121.288 121.300 0.214 0.000 2.799 245 W HA 0.446 5.106 4.660 0.001 0.000 0.349 245 W C 0.596 177.154 176.519 0.065 0.000 1.100 245 W CA 0.285 57.715 57.345 0.141 0.000 1.174 245 W CB 1.535 31.075 29.460 0.134 0.000 1.427 245 W HN 0.104 nan 8.180 nan 0.000 0.547 246 G N 2.939 111.322 108.800 -0.694 0.000 2.562 246 G HA2 -0.253 3.708 3.960 0.001 0.000 0.250 246 G HA3 -0.253 3.708 3.960 0.001 0.000 0.250 246 G C -0.844 173.834 174.900 -0.369 0.000 1.269 246 G CA -0.031 44.830 45.100 -0.398 0.000 0.919 246 G HN 0.500 nan 8.290 nan 0.000 0.574 247 D N 1.740 121.993 120.400 -0.244 0.000 2.428 247 D HA 0.575 5.216 4.640 0.001 0.000 0.221 247 D C -0.333 175.744 176.300 -0.372 0.000 1.123 247 D CA 0.436 54.221 54.000 -0.357 0.000 0.869 247 D CB 0.968 41.751 40.800 -0.029 0.000 1.032 247 D HN 0.532 nan 8.370 nan 0.000 0.506 248 S N 1.806 117.051 115.700 -0.757 0.000 2.616 248 S HA 0.384 4.854 4.470 0.001 0.000 0.276 248 S C -0.910 173.393 174.600 -0.495 0.000 1.159 248 S CA -0.727 57.296 58.200 -0.295 0.000 1.000 248 S CB 0.609 63.818 63.200 0.016 0.000 1.117 248 S HN 0.196 nan 8.310 nan 0.000 0.464 249 F N 1.587 121.654 119.950 0.196 0.000 2.598 249 F HA 0.760 5.287 4.527 0.001 0.000 0.327 249 F C -0.498 175.247 175.800 -0.091 0.000 1.057 249 F CA -1.156 56.855 58.000 0.018 0.000 0.957 249 F CB 1.046 40.005 39.000 -0.067 0.000 1.278 249 F HN 0.518 nan 8.300 nan 0.000 0.484 250 F N 2.426 122.180 119.950 -0.328 0.000 2.610 250 F HA 0.353 4.881 4.527 0.001 0.000 0.355 250 F C -0.366 175.230 175.800 -0.340 0.000 1.140 250 F CA -0.874 56.739 58.000 -0.646 0.000 1.037 250 F CB 0.395 38.813 39.000 -0.971 0.000 1.287 250 F HN 0.373 nan 8.300 nan 0.000 0.457 251 N N 6.842 125.200 118.700 -0.569 0.000 2.468 251 N HA 0.129 4.870 4.740 0.001 0.000 0.265 251 N C -1.951 173.218 175.510 -0.568 0.000 1.199 251 N CA -1.231 51.559 53.050 -0.434 0.000 0.928 251 N CB 1.765 40.057 38.487 -0.324 0.000 1.059 251 N HN 0.309 nan 8.380 nan 0.000 0.467 252 P HA -0.051 nan 4.420 nan 0.000 0.217 252 P C 0.709 177.891 177.300 -0.197 0.000 1.151 252 P CA 1.470 64.443 63.100 -0.211 0.000 0.828 252 P CB 0.463 32.104 31.700 -0.098 0.000 0.788 253 K N -0.608 119.682 120.400 -0.184 0.000 1.980 253 K HA -0.075 4.245 4.320 0.001 0.000 0.208 253 K C 2.216 178.722 176.600 -0.156 0.000 1.043 253 K CA 2.101 58.305 56.287 -0.139 0.000 0.938 253 K CB -1.338 31.092 32.500 -0.117 0.000 0.724 253 K HN 0.205 nan 8.250 nan 0.000 0.438 254 T N -0.473 113.964 114.554 -0.194 0.000 2.962 254 T HA -0.078 4.273 4.350 0.001 0.000 0.270 254 T C 0.579 175.151 174.700 -0.213 0.000 1.088 254 T CA 0.552 62.547 62.100 -0.176 0.000 1.127 254 T CB -0.174 68.593 68.868 -0.168 0.000 0.883 254 T HN 0.052 nan 8.240 nan 0.000 0.493 255 K N 1.159 121.343 120.400 -0.361 0.000 3.096 255 K HA -0.112 4.208 4.320 0.001 0.000 0.266 255 K C -0.685 175.708 176.600 -0.346 0.000 1.043 255 K CA 0.887 56.927 56.287 -0.413 0.000 0.758 255 K CB -1.455 30.978 32.500 -0.112 0.000 1.260 255 K HN 0.646 nan 8.250 nan 0.000 0.481 256 K N -0.532 119.571 120.400 -0.494 0.000 2.527 256 K HA 0.306 4.627 4.320 0.001 0.000 0.260 256 K C -0.541 175.956 176.600 -0.172 0.000 0.937 256 K CA -0.732 55.454 56.287 -0.168 0.000 0.826 256 K CB 1.120 33.593 32.500 -0.045 0.000 1.359 256 K HN -0.047 nan 8.250 nan 0.000 0.434 257 W N 1.445 122.785 121.300 0.067 0.000 2.287 257 W HA 0.274 4.934 4.660 0.001 0.000 0.313 257 W C 0.360 176.925 176.519 0.078 0.000 1.267 257 W CA 0.271 57.695 57.345 0.132 0.000 1.201 257 W CB 1.141 30.680 29.460 0.131 0.000 1.196 257 W HN 0.367 nan 8.180 nan 0.000 0.536 258 T N 2.118 116.873 114.554 0.335 0.000 2.864 258 T HA 0.287 4.638 4.350 0.001 0.000 0.289 258 T C 0.048 174.948 174.700 0.334 0.000 1.082 258 T CA -0.940 61.306 62.100 0.244 0.000 1.009 258 T CB 1.453 70.400 68.868 0.132 0.000 1.234 258 T HN 0.290 nan 8.240 nan 0.000 0.526 259 N N 0.859 119.714 118.700 0.260 0.000 2.351 259 N HA 0.215 4.955 4.740 0.001 0.000 0.254 259 N C -0.784 174.898 175.510 0.287 0.000 1.241 259 N CA -0.056 53.165 53.050 0.286 0.000 0.883 259 N CB 0.780 39.361 38.487 0.157 0.000 1.202 259 N HN 0.360 nan 8.380 nan 0.000 0.512 260 K N 0.801 121.321 120.400 0.200 0.000 2.345 260 K HA 0.141 4.462 4.320 0.001 0.000 0.255 260 K C -0.272 176.004 176.600 -0.540 0.000 0.934 260 K CA -0.558 55.697 56.287 -0.052 0.000 0.801 260 K CB 1.561 34.016 32.500 -0.075 0.000 1.137 260 K HN 0.010 nan 8.250 nan 0.000 0.424 261 D N 0.289 120.264 120.400 -0.708 0.000 2.332 261 D HA -0.022 4.619 4.640 0.001 0.000 0.244 261 D C -0.345 175.558 176.300 -0.663 0.000 1.136 261 D CA 0.183 53.459 54.000 -1.206 0.000 0.884 261 D CB 0.371 40.804 40.800 -0.611 0.000 0.906 261 D HN 0.099 nan 8.370 nan 0.000 0.520 262 T N 0.114 114.395 114.554 -0.454 0.000 2.993 262 T HA 0.151 4.501 4.350 0.001 0.000 0.312 262 T C -1.401 173.170 174.700 -0.214 0.000 1.115 262 T CA -1.006 60.924 62.100 -0.283 0.000 1.027 262 T CB 2.158 70.909 68.868 -0.195 0.000 1.116 262 T HN 0.211 nan 8.240 nan 0.000 0.464 263 D N 1.774 122.066 120.400 -0.180 0.000 2.377 263 D HA 0.347 4.988 4.640 0.001 0.000 0.245 263 D C 1.591 177.828 176.300 -0.106 0.000 1.196 263 D CA -0.044 53.872 54.000 -0.139 0.000 0.962 263 D CB 1.452 42.171 40.800 -0.134 0.000 1.127 263 D HN 0.537 nan 8.370 nan 0.000 0.471 264 A N 2.429 125.197 122.820 -0.087 0.000 1.929 264 A HA -0.280 4.040 4.320 0.001 0.000 0.221 264 A C 1.851 179.397 177.584 -0.064 0.000 1.211 264 A CA 2.073 54.069 52.037 -0.068 0.000 0.657 264 A CB -0.803 18.163 19.000 -0.058 0.000 0.827 264 A HN 0.808 nan 8.150 nan 0.000 0.462 265 E N -1.753 118.406 120.200 -0.067 0.000 2.511 265 E HA 0.267 4.617 4.350 0.001 0.000 0.196 265 E C 1.077 177.638 176.600 -0.065 0.000 1.066 265 E CA 0.292 56.656 56.400 -0.061 0.000 0.871 265 E CB -0.209 29.456 29.700 -0.058 0.000 0.863 265 E HN 0.891 nan 8.360 nan 0.000 0.520 266 G N 1.923 110.676 108.800 -0.078 0.000 2.141 266 G HA2 -0.268 3.693 3.960 0.001 0.000 0.231 266 G HA3 -0.268 3.693 3.960 0.001 0.000 0.231 266 G C 0.017 174.861 174.900 -0.094 0.000 0.984 266 G CA -0.207 44.843 45.100 -0.083 0.000 0.660 266 G HN 0.132 nan 8.290 nan 0.000 0.525 267 K N 0.833 121.171 120.400 -0.103 0.000 2.174 267 K HA 0.452 4.772 4.320 0.001 0.000 0.275 267 K C -2.509 174.006 176.600 -0.143 0.000 1.015 267 K CA -1.852 54.370 56.287 -0.109 0.000 0.933 267 K CB 1.093 33.533 32.500 -0.100 0.000 1.025 267 K HN -0.004 nan 8.250 nan 0.000 0.463 268 P HA 0.054 nan 4.420 nan 0.000 0.271 268 P C -0.922 176.261 177.300 -0.196 0.000 1.220 268 P CA 0.190 63.185 63.100 -0.175 0.000 0.768 268 P CB 0.480 32.099 31.700 -0.133 0.000 0.848 269 L N 2.520 123.574 121.223 -0.282 0.000 2.307 269 L HA 0.384 4.725 4.340 0.001 0.000 0.284 269 L C 0.854 177.644 176.870 -0.133 0.000 1.023 269 L CA -0.800 53.890 54.840 -0.251 0.000 0.810 269 L CB 1.496 43.341 42.059 -0.357 0.000 1.231 269 L HN 0.356 nan 8.230 nan 0.000 0.423 270 E N 3.625 123.790 120.200 -0.059 0.000 2.360 270 E HA 0.099 4.449 4.350 0.001 0.000 0.269 270 E C -0.105 176.559 176.600 0.106 0.000 1.022 270 E CA -0.531 55.849 56.400 -0.034 0.000 0.887 270 E CB 0.985 30.596 29.700 -0.148 0.000 0.990 270 E HN 0.385 nan 8.360 nan 0.000 0.426 271 R N 2.730 123.245 120.500 0.026 0.000 2.679 271 R HA 0.037 4.377 4.340 0.001 0.000 0.268 271 R C 0.870 176.998 176.300 -0.287 0.000 1.044 271 R CA 0.648 56.609 56.100 -0.231 0.000 1.105 271 R CB 0.600 30.618 30.300 -0.470 0.000 0.989 271 R HN 0.747 nan 8.270 nan 0.000 0.447 272 A N 4.724 127.385 122.820 -0.266 0.000 1.948 272 A HA -0.237 4.083 4.320 0.001 0.000 0.220 272 A C 1.772 179.350 177.584 -0.010 0.000 1.177 272 A CA 1.505 53.506 52.037 -0.059 0.000 0.636 272 A CB -0.625 18.590 19.000 0.358 0.000 0.815 272 A HN 0.856 nan 8.150 nan 0.000 0.449 273 F N 1.381 121.247 119.950 -0.140 0.000 2.039 273 F HA -0.181 4.347 4.527 0.001 0.000 0.294 273 F C 1.985 177.702 175.800 -0.137 0.000 1.130 273 F CA 2.238 60.219 58.000 -0.031 0.000 1.189 273 F CB -0.571 38.432 39.000 0.005 0.000 0.983 273 F HN 0.282 nan 8.300 nan 0.000 0.471 274 N N -0.026 118.611 118.700 -0.106 0.000 2.137 274 N HA -0.249 4.492 4.740 0.001 0.000 0.190 274 N C 1.944 177.236 175.510 -0.363 0.000 1.017 274 N CA 1.905 54.804 53.050 -0.252 0.000 0.859 274 N CB -0.422 37.922 38.487 -0.239 0.000 1.002 274 N HN 0.377 nan 8.380 nan 0.000 0.428 275 M N -1.061 118.267 119.600 -0.454 0.000 2.123 275 M HA -0.032 4.449 4.480 0.001 0.000 0.263 275 M C 0.520 176.436 176.300 -0.640 0.000 1.069 275 M CA 1.545 56.453 55.300 -0.654 0.000 1.133 275 M CB 0.097 32.069 32.600 -1.047 0.000 1.356 275 M HN 0.082 nan 8.290 nan 0.000 0.415 276 F N -1.341 118.454 119.950 -0.258 0.000 2.731 276 F HA 0.142 4.670 4.527 0.001 0.000 0.298 276 F C 1.558 177.146 175.800 -0.354 0.000 1.106 276 F CA -0.040 57.765 58.000 -0.325 0.000 1.329 276 F CB -0.059 38.605 39.000 -0.560 0.000 1.100 276 F HN 0.043 nan 8.300 nan 0.000 0.592 277 I N -0.887 119.432 120.570 -0.418 0.000 3.518 277 I HA 0.074 4.244 4.170 0.001 0.000 0.260 277 I C 2.081 177.807 176.117 -0.651 0.000 1.148 277 I CA 0.563 61.373 61.300 -0.816 0.000 1.440 277 I CB -1.161 36.197 38.000 -1.070 0.000 1.485 277 I HN -0.001 nan 8.210 nan 0.000 0.456 278 L N 0.824 121.696 121.223 -0.586 0.000 2.217 278 L HA -0.168 4.172 4.340 0.001 0.000 0.211 278 L C 2.113 178.859 176.870 -0.206 0.000 1.107 278 L CA 1.365 56.030 54.840 -0.290 0.000 0.783 278 L CB -0.452 41.427 42.059 -0.300 0.000 0.919 278 L HN 0.268 nan 8.230 nan 0.000 0.442 279 D N 0.102 120.340 120.400 -0.271 0.000 2.084 279 D HA -0.129 4.511 4.640 0.001 0.000 0.194 279 D C -0.566 175.692 176.300 -0.070 0.000 0.990 279 D CA 1.286 55.182 54.000 -0.173 0.000 0.826 279 D CB -0.592 40.092 40.800 -0.194 0.000 0.971 279 D HN 0.080 nan 8.370 nan 0.000 0.453 280 P HA -0.077 nan 4.420 nan 0.000 0.215 280 P C 1.414 178.642 177.300 -0.120 0.000 1.157 280 P CA 1.127 64.167 63.100 -0.100 0.000 0.868 280 P CB -0.020 31.629 31.700 -0.085 0.000 0.788 281 I N -2.821 117.695 120.570 -0.090 0.000 2.394 281 I HA -0.212 3.958 4.170 0.001 0.000 0.251 281 I C 2.028 178.023 176.117 -0.204 0.000 1.136 281 I CA 1.224 62.436 61.300 -0.148 0.000 1.425 281 I CB -0.557 37.328 38.000 -0.192 0.000 1.079 281 I HN -0.145 nan 8.210 nan 0.000 0.425 282 F N 1.427 121.224 119.950 -0.255 0.000 2.206 282 F HA -0.108 4.420 4.527 0.001 0.000 0.298 282 F C 2.530 178.290 175.800 -0.066 0.000 1.090 282 F CA 1.213 59.102 58.000 -0.184 0.000 1.323 282 F CB -0.222 38.702 39.000 -0.127 0.000 1.028 282 F HN -0.059 nan 8.300 nan 0.000 0.492 283 R N 0.045 120.602 120.500 0.095 0.000 2.090 283 R HA -0.008 4.333 4.340 0.001 0.000 0.228 283 R C 2.315 178.636 176.300 0.034 0.000 1.110 283 R CA 0.810 56.940 56.100 0.050 0.000 0.973 283 R CB -1.332 28.975 30.300 0.012 0.000 0.869 283 R HN 0.328 nan 8.270 nan 0.000 0.440 284 L N -0.278 120.961 121.223 0.026 0.000 2.079 284 L HA -0.120 4.221 4.340 0.001 0.000 0.210 284 L C 2.297 179.251 176.870 0.140 0.000 1.081 284 L CA 1.415 56.279 54.840 0.040 0.000 0.752 284 L CB -0.407 41.651 42.059 -0.002 0.000 0.896 284 L HN 0.067 nan 8.230 nan 0.000 0.433 285 F N -0.563 119.304 119.950 -0.138 0.000 2.206 285 F HA -0.172 4.355 4.527 0.001 0.000 0.298 285 F C 2.582 178.299 175.800 -0.137 0.000 1.090 285 F CA 1.098 59.014 58.000 -0.140 0.000 1.323 285 F CB -0.295 38.594 39.000 -0.185 0.000 1.028 285 F HN 0.020 nan 8.300 nan 0.000 0.492 286 T N -0.244 114.359 114.554 0.081 0.000 2.857 286 T HA -0.101 4.250 4.350 0.001 0.000 0.266 286 T C 2.134 176.817 174.700 -0.027 0.000 1.048 286 T CA 1.015 63.123 62.100 0.012 0.000 1.139 286 T CB -0.430 68.457 68.868 0.032 0.000 0.874 286 T HN 0.277 nan 8.240 nan 0.000 0.455 287 A N 1.562 124.370 122.820 -0.020 0.000 1.832 287 A HA 0.068 4.388 4.320 0.001 0.000 0.214 287 A C 2.283 179.820 177.584 -0.079 0.000 1.204 287 A CA 1.032 53.047 52.037 -0.036 0.000 0.606 287 A CB -0.832 18.153 19.000 -0.024 0.000 0.849 287 A HN 0.451 nan 8.150 nan 0.000 0.445 288 I N -0.552 119.958 120.570 -0.100 0.000 2.208 288 I HA -0.268 3.903 4.170 0.001 0.000 0.245 288 I C 2.409 178.332 176.117 -0.324 0.000 1.097 288 I CA 1.215 62.425 61.300 -0.150 0.000 1.363 288 I CB -0.332 37.578 38.000 -0.151 0.000 1.051 288 I HN 0.256 nan 8.210 nan 0.000 0.413 289 M N 0.065 119.460 119.600 -0.342 0.000 2.460 289 M HA -0.121 4.360 4.480 0.001 0.000 0.263 289 M C 1.201 177.108 176.300 -0.655 0.000 1.071 289 M CA 1.472 56.478 55.300 -0.489 0.000 1.096 289 M CB -1.386 31.043 32.600 -0.285 0.000 1.408 289 M HN 0.223 nan 8.290 nan 0.000 0.463 290 N N -0.842 117.599 118.700 -0.430 0.000 2.280 290 N HA 0.089 4.830 4.740 0.001 0.000 0.192 290 N C -0.441 174.983 175.510 -0.143 0.000 1.109 290 N CA 0.063 52.948 53.050 -0.275 0.000 0.855 290 N CB 0.144 38.573 38.487 -0.096 0.000 0.974 290 N HN 0.065 nan 8.380 nan 0.000 0.482 291 F N -0.452 119.488 119.950 -0.017 0.000 3.034 291 F HA -0.269 4.258 4.527 0.001 0.000 0.286 291 F C -0.109 175.683 175.800 -0.013 0.000 0.804 291 F CA 0.194 58.183 58.000 -0.018 0.000 1.161 291 F CB -2.249 36.741 39.000 -0.016 0.000 1.317 291 F HN -0.010 nan 8.300 nan 0.000 0.453 292 K N 1.215 121.675 120.400 0.099 0.000 2.054 292 K HA 0.057 4.377 4.320 0.001 0.000 0.242 292 K C 1.249 177.883 176.600 0.055 0.000 1.157 292 K CA -0.083 56.243 56.287 0.065 0.000 1.079 292 K CB 0.088 32.604 32.500 0.027 0.000 1.331 292 K HN 0.374 nan 8.250 nan 0.000 0.317 293 K N 0.889 121.329 120.400 0.068 0.000 2.286 293 K HA -0.189 4.131 4.320 0.001 0.000 0.203 293 K C 0.805 177.421 176.600 0.026 0.000 1.045 293 K CA 1.222 57.537 56.287 0.047 0.000 0.935 293 K CB 0.099 32.622 32.500 0.039 0.000 0.737 293 K HN 0.442 nan 8.250 nan 0.000 0.460 294 D N 0.749 121.162 120.400 0.022 0.000 2.194 294 D HA -0.087 4.553 4.640 0.001 0.000 0.204 294 D C 1.613 177.918 176.300 0.008 0.000 0.964 294 D CA 1.019 55.027 54.000 0.013 0.000 0.846 294 D CB 0.174 40.981 40.800 0.012 0.000 0.962 294 D HN 0.382 nan 8.370 nan 0.000 0.490 295 E N 0.668 120.873 120.200 0.008 0.000 2.057 295 E HA 0.016 4.367 4.350 0.001 0.000 0.190 295 E C 2.432 179.028 176.600 -0.007 0.000 0.969 295 E CA -0.019 56.380 56.400 -0.001 0.000 0.812 295 E CB 0.151 29.850 29.700 -0.002 0.000 0.777 295 E HN 0.146 nan 8.360 nan 0.000 0.455 296 I N 2.425 122.992 120.570 -0.004 0.000 2.130 296 I HA -0.330 3.840 4.170 0.001 0.000 0.241 296 I C -0.423 175.684 176.117 -0.016 0.000 1.023 296 I CA 1.778 63.071 61.300 -0.012 0.000 1.293 296 I CB -1.808 36.193 38.000 0.002 0.000 1.001 296 I HN 0.193 nan 8.210 nan 0.000 0.407 297 P HA -0.112 nan 4.420 nan 0.000 0.214 297 P C 1.957 179.249 177.300 -0.013 0.000 1.162 297 P CA 1.720 64.815 63.100 -0.008 0.000 0.879 297 P CB -0.147 31.552 31.700 -0.002 0.000 0.786 298 V N 0.511 120.418 119.914 -0.011 0.000 2.287 298 V HA -0.223 3.898 4.120 0.001 0.000 0.248 298 V C 2.809 178.889 176.094 -0.022 0.000 1.053 298 V CA 1.811 64.103 62.300 -0.013 0.000 1.027 298 V CB -1.541 30.277 31.823 -0.008 0.000 0.646 298 V HN 0.017 nan 8.190 nan 0.000 0.447 299 L N -0.725 120.481 121.223 -0.029 0.000 2.083 299 L HA -0.117 4.224 4.340 0.001 0.000 0.209 299 L C 2.142 178.970 176.870 -0.069 0.000 1.083 299 L CA 1.746 56.557 54.840 -0.048 0.000 0.752 299 L CB -0.567 41.461 42.059 -0.051 0.000 0.899 299 L HN 0.185 nan 8.230 nan 0.000 0.433 300 L N -0.211 120.977 121.223 -0.058 0.000 2.027 300 L HA -0.198 4.142 4.340 0.001 0.000 0.206 300 L C 2.619 179.462 176.870 -0.045 0.000 1.074 300 L CA 2.035 56.838 54.840 -0.062 0.000 0.745 300 L CB -0.794 41.242 42.059 -0.039 0.000 0.898 300 L HN 0.490 nan 8.230 nan 0.000 0.433 301 E N -0.627 119.557 120.200 -0.027 0.000 2.153 301 E HA -0.259 4.091 4.350 0.001 0.000 0.194 301 E C 2.077 178.668 176.600 -0.016 0.000 0.988 301 E CA 1.061 57.452 56.400 -0.015 0.000 0.811 301 E CB 0.093 29.788 29.700 -0.009 0.000 0.746 301 E HN 0.426 nan 8.360 nan 0.000 0.466 302 K N 0.295 120.681 120.400 -0.025 0.000 1.980 302 K HA -0.198 4.123 4.320 0.001 0.000 0.223 302 K C 2.290 178.879 176.600 -0.017 0.000 1.052 302 K CA 2.113 58.388 56.287 -0.020 0.000 0.974 302 K CB -0.411 32.073 32.500 -0.027 0.000 0.734 302 K HN 0.214 nan 8.250 nan 0.000 0.447 303 L N 0.516 121.716 121.223 -0.038 0.000 2.187 303 L HA -0.118 4.222 4.340 0.001 0.000 0.213 303 L C 0.013 176.901 176.870 0.031 0.000 1.100 303 L CA 0.909 55.743 54.840 -0.010 0.000 0.765 303 L CB -0.606 41.378 42.059 -0.126 0.000 0.904 303 L HN 0.385 nan 8.230 nan 0.000 0.437 304 E N 0.240 120.444 120.200 0.007 0.000 2.300 304 E HA -0.114 4.236 4.350 0.001 0.000 0.238 304 E C -0.741 175.882 176.600 0.038 0.000 1.186 304 E CA -0.143 56.269 56.400 0.021 0.000 0.717 304 E CB -0.984 28.733 29.700 0.028 0.000 1.212 304 E HN 0.173 nan 8.360 nan 0.000 0.415 305 I N 2.060 122.641 120.570 0.019 0.000 2.317 305 I HA 0.104 4.275 4.170 0.001 0.000 0.286 305 I C 0.853 176.985 176.117 0.024 0.000 1.119 305 I CA -0.622 60.699 61.300 0.035 0.000 1.228 305 I CB 0.282 38.288 38.000 0.011 0.000 1.476 305 I HN 0.113 nan 8.210 nan 0.000 0.514 306 V N 4.928 124.860 119.914 0.030 0.000 2.403 306 V HA 0.258 4.379 4.120 0.001 0.000 0.265 306 V C 0.513 176.621 176.094 0.024 0.000 1.034 306 V CA -0.493 61.820 62.300 0.022 0.000 1.036 306 V CB -0.166 31.670 31.823 0.021 0.000 1.032 306 V HN 0.367 nan 8.190 nan 0.000 0.478 307 L N 4.895 126.129 121.223 0.019 0.000 2.461 307 L HA 0.329 4.669 4.340 0.001 0.000 0.272 307 L C 1.196 178.077 176.870 0.017 0.000 1.197 307 L CA -0.274 54.577 54.840 0.019 0.000 0.836 307 L CB 0.461 42.528 42.059 0.013 0.000 1.105 307 L HN 0.554 nan 8.230 nan 0.000 0.477 308 K N 2.659 123.070 120.400 0.019 0.000 3.226 308 K HA 0.160 4.481 4.320 0.001 0.000 0.268 308 K C 0.967 177.574 176.600 0.012 0.000 1.217 308 K CA 0.589 56.885 56.287 0.016 0.000 1.242 308 K CB -0.158 32.354 32.500 0.019 0.000 1.389 308 K HN 0.939 nan 8.250 nan 0.000 0.406 309 G N 1.964 110.770 108.800 0.010 0.000 5.059 309 G HA2 -0.488 3.473 3.960 0.001 0.000 0.336 309 G HA3 -0.488 3.473 3.960 0.001 0.000 0.336 309 G C 1.095 175.999 174.900 0.007 0.000 1.364 309 G CA 0.691 45.796 45.100 0.007 0.000 1.020 309 G HN 0.471 nan 8.290 nan 0.000 0.807 310 D N 1.700 122.104 120.400 0.007 0.000 2.228 310 D HA -0.057 4.584 4.640 0.001 0.000 0.203 310 D C 2.344 178.648 176.300 0.007 0.000 0.988 310 D CA 1.924 55.928 54.000 0.006 0.000 0.864 310 D CB -0.391 40.413 40.800 0.006 0.000 0.928 310 D HN 0.750 nan 8.370 nan 0.000 0.469 311 E N -0.417 119.789 120.200 0.009 0.000 2.274 311 E HA -0.094 4.256 4.350 0.001 0.000 0.194 311 E C 2.033 178.638 176.600 0.009 0.000 0.996 311 E CA 0.339 56.745 56.400 0.011 0.000 0.840 311 E CB 0.155 29.864 29.700 0.015 0.000 0.772 311 E HN 0.260 nan 8.360 nan 0.000 0.491 312 K N 1.456 121.861 120.400 0.008 0.000 2.026 312 K HA -0.174 4.147 4.320 0.001 0.000 0.208 312 K C 1.813 178.417 176.600 0.008 0.000 1.048 312 K CA 1.782 58.073 56.287 0.008 0.000 0.929 312 K CB -0.404 32.100 32.500 0.006 0.000 0.713 312 K HN 0.269 nan 8.250 nan 0.000 0.439 313 D N 0.597 121.000 120.400 0.005 0.000 2.350 313 D HA -0.103 4.538 4.640 0.001 0.000 0.216 313 D C 0.620 176.924 176.300 0.006 0.000 0.968 313 D CA 0.301 54.302 54.000 0.002 0.000 0.894 313 D CB -0.268 40.530 40.800 -0.003 0.000 0.909 313 D HN 0.033 nan 8.370 nan 0.000 0.520 314 L N 0.835 122.064 121.223 0.011 0.000 2.490 314 L HA 0.227 4.567 4.340 0.001 0.000 0.274 314 L C 0.521 177.415 176.870 0.040 0.000 1.201 314 L CA 0.478 55.328 54.840 0.017 0.000 0.869 314 L CB 0.430 42.495 42.059 0.010 0.000 1.123 314 L HN 0.146 nan 8.230 nan 0.000 0.484 315 E N 0.945 121.186 120.200 0.068 0.000 2.416 315 E HA 0.635 4.985 4.350 0.001 0.000 0.273 315 E C 0.064 176.801 176.600 0.228 0.000 0.935 315 E CA -0.399 56.107 56.400 0.176 0.000 0.784 315 E CB 2.087 31.893 29.700 0.177 0.000 1.301 315 E HN 0.721 nan 8.360 nan 0.000 0.454 316 G N 1.260 110.269 108.800 0.347 0.000 2.601 316 G HA2 -0.362 3.598 3.960 0.001 0.000 0.252 316 G HA3 -0.362 3.598 3.960 0.001 0.000 0.252 316 G C 0.537 175.409 174.900 -0.046 0.000 1.294 316 G CA 0.357 45.539 45.100 0.137 0.000 0.912 316 G HN 0.570 nan 8.290 nan 0.000 0.574 317 K N 0.149 120.505 120.400 -0.074 0.000 2.113 317 K HA -0.084 4.237 4.320 0.001 0.000 0.208 317 K C 3.080 179.594 176.600 -0.144 0.000 1.047 317 K CA 2.016 58.209 56.287 -0.157 0.000 0.928 317 K CB -0.418 32.007 32.500 -0.124 0.000 0.716 317 K HN 0.790 nan 8.250 nan 0.000 0.446 318 A N 1.437 124.220 122.820 -0.063 0.000 1.917 318 A HA -0.193 4.128 4.320 0.001 0.000 0.219 318 A C 2.102 179.659 177.584 -0.046 0.000 1.182 318 A CA 1.434 53.446 52.037 -0.043 0.000 0.633 318 A CB -0.463 18.533 19.000 -0.006 0.000 0.819 318 A HN 0.265 nan 8.150 nan 0.000 0.448 319 L N -1.101 120.098 121.223 -0.039 0.000 2.049 319 L HA 0.012 4.353 4.340 0.001 0.000 0.203 319 L C 2.192 179.015 176.870 -0.077 0.000 1.074 319 L CA 1.877 56.695 54.840 -0.036 0.000 0.749 319 L CB -0.674 41.380 42.059 -0.009 0.000 0.907 319 L HN 0.302 nan 8.230 nan 0.000 0.439 320 L N 0.005 121.138 121.223 -0.151 0.000 2.079 320 L HA -0.228 4.113 4.340 0.001 0.000 0.210 320 L C 2.384 179.158 176.870 -0.159 0.000 1.081 320 L CA 1.856 56.560 54.840 -0.226 0.000 0.752 320 L CB -0.806 40.993 42.059 -0.435 0.000 0.896 320 L HN 0.295 nan 8.230 nan 0.000 0.433 321 K N -1.458 118.839 120.400 -0.172 0.000 2.211 321 K HA -0.069 4.252 4.320 0.001 0.000 0.203 321 K C 1.843 178.464 176.600 0.036 0.000 1.050 321 K CA 1.243 57.482 56.287 -0.080 0.000 0.945 321 K CB -0.058 32.360 32.500 -0.136 0.000 0.732 321 K HN 0.290 nan 8.250 nan 0.000 0.451 322 V N 0.352 120.272 119.914 0.011 0.000 2.725 322 V HA -0.128 3.992 4.120 0.001 0.000 0.247 322 V C 2.072 178.205 176.094 0.065 0.000 1.058 322 V CA 0.951 63.276 62.300 0.041 0.000 1.080 322 V CB 0.185 32.021 31.823 0.021 0.000 0.713 322 V HN 0.021 nan 8.190 nan 0.000 0.465 323 V N -0.514 119.427 119.914 0.045 0.000 2.323 323 V HA -0.216 3.905 4.120 0.001 0.000 0.244 323 V C 2.471 178.656 176.094 0.152 0.000 1.041 323 V CA 1.602 63.939 62.300 0.061 0.000 1.025 323 V CB -0.568 31.255 31.823 -0.001 0.000 0.656 323 V HN 0.389 nan 8.190 nan 0.000 0.451 324 M N -0.520 119.183 119.600 0.171 0.000 2.374 324 M HA -0.059 4.421 4.480 0.001 0.000 0.264 324 M C 2.235 178.734 176.300 0.331 0.000 1.067 324 M CA 1.380 56.845 55.300 0.275 0.000 1.103 324 M CB -1.166 31.565 32.600 0.219 0.000 1.402 324 M HN 0.309 nan 8.290 nan 0.000 0.444 325 R N 0.162 120.816 120.500 0.256 0.000 2.075 325 R HA -0.088 4.253 4.340 0.001 0.000 0.232 325 R C 2.180 178.585 176.300 0.175 0.000 1.126 325 R CA 1.140 57.370 56.100 0.216 0.000 0.963 325 R CB -0.059 30.334 30.300 0.155 0.000 0.858 325 R HN 0.378 nan 8.270 nan 0.000 0.435 326 K N -0.473 120.027 120.400 0.165 0.000 2.167 326 K HA -0.068 4.252 4.320 0.001 0.000 0.203 326 K C 1.816 178.531 176.600 0.191 0.000 1.052 326 K CA 0.751 57.123 56.287 0.143 0.000 0.956 326 K CB -0.108 32.462 32.500 0.117 0.000 0.735 326 K HN 0.030 nan 8.250 nan 0.000 0.451 327 F N 1.443 121.433 119.950 0.067 0.000 2.039 327 F HA -0.011 4.516 4.527 0.001 0.000 0.294 327 F C 0.558 176.400 175.800 0.070 0.000 1.130 327 F CA 1.186 59.222 58.000 0.060 0.000 1.189 327 F CB 0.067 39.100 39.000 0.055 0.000 0.983 327 F HN -0.205 nan 8.300 nan 0.000 0.471 328 L N 1.697 122.861 121.223 -0.098 0.000 2.457 328 L HA 0.335 4.675 4.340 0.001 0.000 0.252 328 L C -2.526 174.418 176.870 0.123 0.000 1.132 328 L CA -1.924 52.831 54.840 -0.141 0.000 0.938 328 L CB 1.157 43.141 42.059 -0.126 0.000 1.246 328 L HN -0.128 nan 8.230 nan 0.000 0.476 329 P HA 0.007 nan 4.420 nan 0.000 0.258 329 P C 0.824 178.170 177.300 0.077 0.000 1.214 329 P CA 0.210 63.362 63.100 0.088 0.000 0.872 329 P CB 1.183 32.910 31.700 0.043 0.000 0.890 330 A N 5.730 128.616 122.820 0.110 0.000 1.869 330 A HA -0.298 4.023 4.320 0.001 0.000 0.218 330 A C 2.239 179.823 177.584 -0.000 0.000 1.203 330 A CA 2.532 54.596 52.037 0.046 0.000 0.638 330 A CB -1.635 17.379 19.000 0.023 0.000 0.831 330 A HN 0.459 nan 8.150 nan 0.000 0.450 331 A N -0.158 122.668 122.820 0.010 0.000 1.940 331 A HA -0.327 3.994 4.320 0.001 0.000 0.221 331 A C 1.689 179.263 177.584 -0.016 0.000 1.190 331 A CA 2.525 54.560 52.037 -0.002 0.000 0.647 331 A CB -1.003 18.005 19.000 0.014 0.000 0.821 331 A HN 0.633 nan 8.150 nan 0.000 0.457 332 D N -0.462 119.930 120.400 -0.013 0.000 2.123 332 D HA 0.135 4.775 4.640 0.001 0.000 0.200 332 D C 2.254 178.525 176.300 -0.047 0.000 0.976 332 D CA 1.308 55.291 54.000 -0.028 0.000 0.831 332 D CB -0.273 40.511 40.800 -0.025 0.000 0.974 332 D HN 0.455 nan 8.370 nan 0.000 0.469 333 A N 0.537 123.328 122.820 -0.048 0.000 1.948 333 A HA -0.166 4.155 4.320 0.001 0.000 0.220 333 A C 2.114 179.640 177.584 -0.096 0.000 1.177 333 A CA 1.094 53.089 52.037 -0.070 0.000 0.636 333 A CB -0.762 18.198 19.000 -0.067 0.000 0.815 333 A HN 0.210 nan 8.150 nan 0.000 0.449 334 L N -1.041 120.128 121.223 -0.090 0.000 2.072 334 L HA -0.075 4.266 4.340 0.001 0.000 0.205 334 L C 2.309 179.131 176.870 -0.079 0.000 1.079 334 L CA 0.798 55.581 54.840 -0.095 0.000 0.752 334 L CB -0.496 41.514 42.059 -0.081 0.000 0.906 334 L HN 0.341 nan 8.230 nan 0.000 0.436 335 L N -0.447 120.737 121.223 -0.066 0.000 2.376 335 L HA -0.122 4.219 4.340 0.001 0.000 0.219 335 L C 2.475 179.287 176.870 -0.096 0.000 1.133 335 L CA 0.586 55.385 54.840 -0.069 0.000 0.816 335 L CB -0.383 41.646 42.059 -0.050 0.000 0.933 335 L HN 0.355 nan 8.230 nan 0.000 0.449 336 E N 0.945 121.091 120.200 -0.091 0.000 2.005 336 E HA -0.205 4.146 4.350 0.001 0.000 0.191 336 E C 2.311 178.835 176.600 -0.127 0.000 0.987 336 E CA 1.154 57.491 56.400 -0.105 0.000 0.814 336 E CB -0.020 29.635 29.700 -0.076 0.000 0.772 336 E HN 0.361 nan 8.360 nan 0.000 0.453 337 M N 0.754 120.320 119.600 -0.057 0.000 2.082 337 M HA -0.241 4.240 4.480 0.001 0.000 0.258 337 M C 2.403 178.688 176.300 -0.025 0.000 1.071 337 M CA 1.343 56.692 55.300 0.082 0.000 1.103 337 M CB -0.594 32.049 32.600 0.072 0.000 1.307 337 M HN 0.220 nan 8.290 nan 0.000 0.409 338 I N 0.318 120.846 120.570 -0.070 0.000 2.132 338 I HA -0.329 3.842 4.170 0.001 0.000 0.238 338 I C 2.472 178.483 176.117 -0.177 0.000 1.012 338 I CA 1.874 63.116 61.300 -0.098 0.000 1.288 338 I CB -1.621 36.322 38.000 -0.096 0.000 0.997 338 I HN 0.184 nan 8.210 nan 0.000 0.402 339 V N 0.865 120.613 119.914 -0.277 0.000 2.237 339 V HA -0.244 3.876 4.120 0.001 0.000 0.245 339 V C 2.607 178.409 176.094 -0.485 0.000 1.046 339 V CA 1.660 63.663 62.300 -0.496 0.000 1.007 339 V CB -0.671 30.771 31.823 -0.635 0.000 0.638 339 V HN 0.347 nan 8.190 nan 0.000 0.445 340 L N -0.872 120.074 121.223 -0.461 0.000 2.191 340 L HA -0.135 4.205 4.340 0.001 0.000 0.212 340 L C 2.464 178.961 176.870 -0.621 0.000 1.103 340 L CA 1.343 55.848 54.840 -0.560 0.000 0.769 340 L CB -0.676 40.975 42.059 -0.680 0.000 0.908 340 L HN 0.501 nan 8.230 nan 0.000 0.438 341 H N -1.116 117.874 119.070 -0.134 0.000 2.317 341 H HA 0.264 4.821 4.556 0.001 0.000 0.291 341 H C 0.989 176.263 175.328 -0.091 0.000 0.999 341 H CA -0.504 55.484 56.048 -0.100 0.000 1.336 341 H CB -0.193 29.509 29.762 -0.100 0.000 1.485 341 H HN 0.032 nan 8.280 nan 0.000 0.597 342 L N 4.685 125.923 121.223 0.025 0.000 2.605 342 L HA -0.039 4.301 4.340 0.001 0.000 0.296 342 L C -1.897 174.959 176.870 -0.024 0.000 1.255 342 L CA -0.804 54.030 54.840 -0.010 0.000 0.879 342 L CB -0.118 41.920 42.059 -0.035 0.000 1.124 342 L HN 0.094 nan 8.230 nan 0.000 0.507 343 P HA 0.158 nan 4.420 nan 0.000 0.279 343 P C -0.890 176.414 177.300 0.006 0.000 1.252 343 P CA -0.574 62.538 63.100 0.020 0.000 0.811 343 P CB 1.591 33.332 31.700 0.069 0.000 1.035 344 S N 0.946 116.652 115.700 0.010 0.000 2.713 344 S HA 0.459 4.929 4.470 0.001 0.000 0.283 344 S C -2.210 172.386 174.600 -0.007 0.000 1.161 344 S CA -1.590 56.615 58.200 0.009 0.000 0.999 344 S CB 0.220 63.438 63.200 0.028 0.000 1.039 344 S HN 0.225 nan 8.310 nan 0.000 0.548 345 P HA 0.236 nan 4.420 nan 0.000 0.271 345 P C 0.130 177.405 177.300 -0.040 0.000 1.535 345 P CA 0.112 63.184 63.100 -0.047 0.000 0.820 345 P CB -0.041 31.612 31.700 -0.079 0.000 1.606 346 V N -2.371 117.525 119.914 -0.029 0.000 3.251 346 V HA -0.058 4.063 4.120 0.001 0.000 0.239 346 V C 2.002 178.077 176.094 -0.032 0.000 1.332 346 V CA 1.211 63.496 62.300 -0.023 0.000 1.224 346 V CB -0.606 31.214 31.823 -0.004 0.000 1.004 346 V HN 0.086 nan 8.190 nan 0.000 0.464 347 T N 1.057 115.603 114.554 -0.015 0.000 2.812 347 T HA -0.010 4.340 4.350 0.001 0.000 0.264 347 T C 2.000 176.640 174.700 -0.101 0.000 1.042 347 T CA 1.547 63.663 62.100 0.027 0.000 1.140 347 T CB -0.247 68.677 68.868 0.094 0.000 0.870 347 T HN 0.457 nan 8.240 nan 0.000 0.445 348 A N 1.660 124.335 122.820 -0.241 0.000 1.929 348 A HA -0.049 4.272 4.320 0.001 0.000 0.216 348 A C 2.277 179.389 177.584 -0.786 0.000 1.176 348 A CA 0.864 52.468 52.037 -0.722 0.000 0.628 348 A CB -0.535 18.308 19.000 -0.262 0.000 0.816 348 A HN 0.490 nan 8.150 nan 0.000 0.444 349 Q N -0.517 119.091 119.800 -0.320 0.000 2.364 349 Q HA -0.017 4.323 4.340 0.001 0.000 0.207 349 Q C 2.166 178.056 176.000 -0.184 0.000 0.970 349 Q CA 0.848 56.549 55.803 -0.170 0.000 0.888 349 Q CB -0.283 28.459 28.738 0.005 0.000 0.951 349 Q HN 0.695 nan 8.270 nan 0.000 0.469 350 A N 0.851 123.544 122.820 -0.212 0.000 1.968 350 A HA -0.147 4.174 4.320 0.001 0.000 0.217 350 A C 1.502 179.070 177.584 -0.026 0.000 1.169 350 A CA 0.984 52.973 52.037 -0.080 0.000 0.638 350 A CB -0.358 18.640 19.000 -0.003 0.000 0.812 350 A HN 0.576 nan 8.150 nan 0.000 0.446 351 Y N -3.524 116.780 120.300 0.006 0.000 2.531 351 Y HA 0.611 5.161 4.550 0.001 0.000 0.249 351 Y C 1.489 177.385 175.900 -0.007 0.000 1.168 351 Y CA -0.332 57.767 58.100 -0.001 0.000 1.226 351 Y CB -0.096 38.364 38.460 0.000 0.000 1.177 351 Y HN 0.094 nan 8.280 nan 0.000 0.527 352 R N -0.183 120.219 120.500 -0.163 0.000 2.394 352 R HA 0.407 4.748 4.340 0.001 0.000 0.220 352 R C 2.122 178.355 176.300 -0.111 0.000 0.887 352 R CA 0.764 56.808 56.100 -0.093 0.000 1.034 352 R CB 0.220 30.411 30.300 -0.182 0.000 1.179 352 R HN 0.342 nan 8.270 nan 0.000 0.561 353 A N 1.685 124.434 122.820 -0.119 0.000 1.849 353 A HA -0.253 4.068 4.320 0.001 0.000 0.217 353 A C 1.699 179.245 177.584 -0.065 0.000 1.202 353 A CA 1.844 53.808 52.037 -0.123 0.000 0.629 353 A CB -0.587 18.358 19.000 -0.093 0.000 0.834 353 A HN 0.394 nan 8.150 nan 0.000 0.447 354 E N -0.932 119.258 120.200 -0.018 0.000 2.114 354 E HA -0.304 4.047 4.350 0.001 0.000 0.199 354 E C 2.227 178.834 176.600 0.013 0.000 1.008 354 E CA 1.534 57.947 56.400 0.021 0.000 0.810 354 E CB -0.206 29.508 29.700 0.022 0.000 0.739 354 E HN 0.790 nan 8.360 nan 0.000 0.456 355 Q N 0.168 119.962 119.800 -0.010 0.000 2.297 355 Q HA -0.078 4.262 4.340 0.001 0.000 0.204 355 Q C 1.785 177.750 176.000 -0.059 0.000 0.962 355 Q CA 0.654 56.444 55.803 -0.022 0.000 0.879 355 Q CB 0.238 28.971 28.738 -0.009 0.000 0.947 355 Q HN 0.322 nan 8.270 nan 0.000 0.462 356 L N -0.656 120.505 121.223 -0.104 0.000 2.616 356 L HA 0.156 4.497 4.340 0.001 0.000 0.229 356 L C -0.113 176.713 176.870 -0.072 0.000 1.110 356 L CA -0.238 54.494 54.840 -0.181 0.000 0.884 356 L CB 0.415 42.218 42.059 -0.427 0.000 1.115 356 L HN 0.124 nan 8.230 nan 0.000 0.481 357 Y N 1.047 121.261 120.300 -0.144 0.000 2.328 357 Y HA 0.220 4.771 4.550 0.001 0.000 0.337 357 Y C 0.729 176.592 175.900 -0.063 0.000 0.966 357 Y CA -0.950 57.098 58.100 -0.087 0.000 1.136 357 Y CB 0.945 39.355 38.460 -0.083 0.000 1.170 357 Y HN 0.029 nan 8.280 nan 0.000 0.470 358 E N 3.928 123.841 120.200 -0.478 0.000 2.335 358 E HA 0.215 4.565 4.350 0.001 0.000 0.191 358 E C 0.366 176.607 176.600 -0.599 0.000 1.077 358 E CA -0.098 56.078 56.400 -0.373 0.000 1.010 358 E CB 0.307 29.889 29.700 -0.197 0.000 1.141 358 E HN 0.840 nan 8.360 nan 0.000 0.452 359 G N 1.455 109.692 108.800 -0.937 0.000 3.209 359 G HA2 0.392 4.352 3.960 0.001 0.000 0.236 359 G HA3 0.392 4.352 3.960 0.001 0.000 0.236 359 G C -2.723 172.049 174.900 -0.214 0.000 1.329 359 G CA -1.345 43.208 45.100 -0.913 0.000 1.015 359 G HN -0.123 nan 8.290 nan 0.000 0.571 360 P HA 0.275 nan 4.420 nan 0.000 0.266 360 P C 0.511 177.873 177.300 0.103 0.000 1.215 360 P CA 0.182 63.300 63.100 0.030 0.000 0.763 360 P CB 1.298 33.019 31.700 0.035 0.000 0.806 361 A N 3.360 126.214 122.820 0.057 0.000 2.272 361 A HA -0.155 4.166 4.320 0.001 0.000 0.213 361 A C 0.874 178.468 177.584 0.016 0.000 1.183 361 A CA 1.612 53.676 52.037 0.046 0.000 0.719 361 A CB -0.896 18.119 19.000 0.026 0.000 0.771 361 A HN 0.628 nan 8.150 nan 0.000 0.484 362 D N -1.982 118.428 120.400 0.016 0.000 2.520 362 D HA 0.163 4.803 4.640 0.001 0.000 0.223 362 D C 0.152 176.450 176.300 -0.002 0.000 1.186 362 D CA -0.197 53.803 54.000 0.001 0.000 0.821 362 D CB -0.367 40.436 40.800 0.006 0.000 1.072 362 D HN 0.285 nan 8.370 nan 0.000 0.518 363 D N 0.400 120.808 120.400 0.013 0.000 2.449 363 D HA 0.214 4.855 4.640 0.001 0.000 0.236 363 D C 1.674 177.946 176.300 -0.046 0.000 1.149 363 D CA 0.536 54.549 54.000 0.023 0.000 0.878 363 D CB 1.136 42.009 40.800 0.122 0.000 1.198 363 D HN 0.076 nan 8.370 nan 0.000 0.446 364 A N 3.554 126.363 122.820 -0.018 0.000 1.958 364 A HA -0.322 3.998 4.320 0.001 0.000 0.221 364 A C 1.837 179.370 177.584 -0.084 0.000 1.178 364 A CA 2.201 54.218 52.037 -0.034 0.000 0.642 364 A CB -0.683 18.314 19.000 -0.004 0.000 0.816 364 A HN 0.762 nan 8.150 nan 0.000 0.453 365 N N -1.305 117.304 118.700 -0.150 0.000 2.220 365 N HA -0.072 4.668 4.740 0.001 0.000 0.182 365 N C 1.628 176.892 175.510 -0.409 0.000 1.023 365 N CA 1.148 54.044 53.050 -0.257 0.000 0.856 365 N CB -0.760 37.558 38.487 -0.281 0.000 0.997 365 N HN 0.515 nan 8.380 nan 0.000 0.429 366 C N 0.765 119.692 119.300 -0.623 0.000 2.403 366 C HA -0.020 4.440 4.460 0.001 0.000 0.279 366 C C 2.336 177.193 174.990 -0.223 0.000 1.269 366 C CA 0.601 59.318 59.018 -0.502 0.000 1.774 366 C CB -1.291 26.264 27.740 -0.308 0.000 1.993 366 C HN 0.374 nan 8.230 nan 0.000 0.496 367 I N 1.144 121.618 120.570 -0.160 0.000 2.193 367 I HA -0.110 4.060 4.170 0.001 0.000 0.240 367 I C 2.869 178.940 176.117 -0.078 0.000 1.084 367 I CA 1.524 62.771 61.300 -0.088 0.000 1.365 367 I CB -0.767 37.196 38.000 -0.060 0.000 1.064 367 I HN 0.323 nan 8.210 nan 0.000 0.410 368 A N 1.124 123.892 122.820 -0.087 0.000 2.084 368 A HA -0.178 4.142 4.320 0.001 0.000 0.221 368 A C 2.222 179.781 177.584 -0.041 0.000 1.161 368 A CA 1.416 53.419 52.037 -0.056 0.000 0.653 368 A CB -0.631 18.336 19.000 -0.055 0.000 0.802 368 A HN 0.371 nan 8.150 nan 0.000 0.457 369 I N -0.746 119.781 120.570 -0.071 0.000 2.235 369 I HA -0.149 4.022 4.170 0.001 0.000 0.241 369 I C 2.282 178.390 176.117 -0.015 0.000 1.085 369 I CA 1.395 62.679 61.300 -0.027 0.000 1.378 369 I CB -1.263 36.676 38.000 -0.101 0.000 1.076 369 I HN 0.321 nan 8.210 nan 0.000 0.415 370 K N 1.041 121.413 120.400 -0.047 0.000 2.032 370 K HA -0.148 4.173 4.320 0.001 0.000 0.209 370 K C 1.519 178.104 176.600 -0.024 0.000 1.048 370 K CA 1.404 57.668 56.287 -0.039 0.000 0.927 370 K CB -0.113 32.367 32.500 -0.034 0.000 0.712 370 K HN 0.304 nan 8.250 nan 0.000 0.441 371 N N 0.528 119.216 118.700 -0.021 0.000 2.515 371 N HA -0.071 4.670 4.740 0.001 0.000 0.191 371 N C 0.140 175.644 175.510 -0.009 0.000 1.182 371 N CA 0.405 53.447 53.050 -0.014 0.000 0.879 371 N CB -0.317 38.161 38.487 -0.015 0.000 0.984 371 N HN 0.199 nan 8.380 nan 0.000 0.453 372 C N 2.382 121.681 119.300 -0.002 0.000 3.730 372 C HA -0.244 4.217 4.460 0.001 0.000 0.286 372 C C 0.236 175.223 174.990 -0.004 0.000 1.454 372 C CA -0.274 58.747 59.018 0.005 0.000 2.033 372 C CB -2.516 25.221 27.740 -0.005 0.000 1.316 372 C HN 0.392 nan 8.230 nan 0.000 0.648 373 D N 1.455 121.852 120.400 -0.005 0.000 2.339 373 D HA 0.255 4.896 4.640 0.001 0.000 0.256 373 D C -0.502 175.793 176.300 -0.008 0.000 1.214 373 D CA -1.943 52.052 54.000 -0.009 0.000 0.877 373 D CB 0.923 41.716 40.800 -0.011 0.000 1.111 373 D HN 0.393 nan 8.370 nan 0.000 0.478 374 P HA -0.001 nan 4.420 nan 0.000 0.253 374 P C 0.397 177.690 177.300 -0.011 0.000 1.260 374 P CA 0.217 63.309 63.100 -0.013 0.000 0.800 374 P CB 0.455 32.144 31.700 -0.018 0.000 1.162 375 K N -0.512 119.882 120.400 -0.009 0.000 2.335 375 K HA 0.236 4.557 4.320 0.001 0.000 0.195 375 K C 1.428 178.024 176.600 -0.007 0.000 1.058 375 K CA 0.135 56.416 56.287 -0.008 0.000 0.988 375 K CB -0.047 32.448 32.500 -0.009 0.000 0.880 375 K HN 0.068 nan 8.250 nan 0.000 0.513 376 A N 2.077 124.893 122.820 -0.007 0.000 2.325 376 A HA 0.045 4.366 4.320 0.001 0.000 0.260 376 A C -0.085 177.499 177.584 -0.001 0.000 1.133 376 A CA -0.130 51.903 52.037 -0.006 0.000 0.801 376 A CB -0.023 18.969 19.000 -0.012 0.000 1.092 376 A HN 0.136 nan 8.150 nan 0.000 0.504 377 D N -0.147 120.254 120.400 0.002 0.000 2.443 377 D HA 0.189 4.829 4.640 0.001 0.000 0.239 377 D C 0.220 176.531 176.300 0.019 0.000 1.136 377 D CA 0.081 54.087 54.000 0.011 0.000 0.879 377 D CB 0.486 41.296 40.800 0.017 0.000 1.195 377 D HN 0.364 nan 8.370 nan 0.000 0.443 378 L N 2.615 123.851 121.223 0.022 0.000 2.543 378 L HA -0.063 4.278 4.340 0.001 0.000 0.285 378 L C -0.020 176.887 176.870 0.062 0.000 1.236 378 L CA 0.895 55.755 54.840 0.033 0.000 0.871 378 L CB 0.101 42.174 42.059 0.023 0.000 1.121 378 L HN 0.316 nan 8.230 nan 0.000 0.501 379 M N 7.089 126.743 119.600 0.090 0.000 2.297 379 M HA 0.263 4.744 4.480 0.001 0.000 0.241 379 M C -1.206 175.222 176.300 0.213 0.000 1.106 379 M CA -0.099 55.292 55.300 0.153 0.000 0.809 379 M CB 0.632 33.319 32.600 0.144 0.000 2.236 379 M HN 0.504 nan 8.290 nan 0.000 0.362 380 L N 1.632 122.957 121.223 0.170 0.000 2.282 380 L HA 0.530 4.871 4.340 0.001 0.000 0.288 380 L C -1.386 175.624 176.870 0.233 0.000 1.033 380 L CA -0.704 54.234 54.840 0.163 0.000 0.807 380 L CB 1.495 43.590 42.059 0.060 0.000 1.209 380 L HN 0.540 nan 8.230 nan 0.000 0.423 381 Y N 4.737 125.152 120.300 0.192 0.000 2.335 381 Y HA 0.440 4.991 4.550 0.001 0.000 0.339 381 Y C -0.630 175.335 175.900 0.108 0.000 0.987 381 Y CA -0.512 57.714 58.100 0.209 0.000 1.140 381 Y CB 1.417 40.114 38.460 0.396 0.000 1.173 381 Y HN 0.277 nan 8.280 nan 0.000 0.486 382 V N 7.095 126.784 119.914 -0.376 0.000 2.334 382 V HA 0.078 4.198 4.120 0.001 0.000 0.267 382 V C 0.703 176.617 176.094 -0.299 0.000 1.040 382 V CA 0.476 62.644 62.300 -0.219 0.000 0.866 382 V CB 0.598 32.346 31.823 -0.124 0.000 1.019 382 V HN 1.005 nan 8.190 nan 0.000 0.468 383 S N 4.125 119.869 115.700 0.074 0.000 2.425 383 S HA 0.073 4.544 4.470 0.001 0.000 0.225 383 S C 0.560 175.324 174.600 0.274 0.000 1.024 383 S CA 0.325 58.720 58.200 0.324 0.000 0.951 383 S CB -0.006 63.499 63.200 0.508 0.000 0.796 383 S HN 0.857 nan 8.310 nan 0.000 0.498 384 K N -0.653 119.895 120.400 0.247 0.000 2.625 384 K HA 0.471 4.791 4.320 0.001 0.000 0.284 384 K C -1.563 175.134 176.600 0.162 0.000 0.984 384 K CA -0.912 55.464 56.287 0.148 0.000 0.865 384 K CB 0.725 33.304 32.500 0.132 0.000 1.468 384 K HN -0.094 nan 8.250 nan 0.000 0.407 385 M N 2.612 122.267 119.600 0.091 0.000 2.180 385 M HA 0.362 4.843 4.480 0.001 0.000 0.350 385 M C -0.861 175.582 176.300 0.237 0.000 1.125 385 M CA -0.968 54.434 55.300 0.172 0.000 1.031 385 M CB 1.140 33.793 32.600 0.089 0.000 1.623 385 M HN 0.589 nan 8.290 nan 0.000 0.451 386 V N 6.487 126.535 119.914 0.224 0.000 2.513 386 V HA 0.608 4.729 4.120 0.001 0.000 0.299 386 V C -2.442 173.571 176.094 -0.134 0.000 1.035 386 V CA -2.224 60.120 62.300 0.073 0.000 0.889 386 V CB 2.458 34.272 31.823 -0.014 0.000 0.988 386 V HN 0.595 nan 8.190 nan 0.000 0.440 387 P HA 0.242 nan 4.420 nan 0.000 0.268 387 P C -0.640 176.304 177.300 -0.594 0.000 1.204 387 P CA 0.349 62.941 63.100 -0.846 0.000 0.768 387 P CB 0.479 31.819 31.700 -0.600 0.000 0.842 388 T N -1.610 112.534 114.554 -0.684 0.000 2.942 388 T HA 0.367 4.718 4.350 0.001 0.000 0.289 388 T C 1.276 175.751 174.700 -0.375 0.000 1.044 388 T CA -0.185 61.578 62.100 -0.561 0.000 1.023 388 T CB 1.249 69.580 68.868 -0.895 0.000 1.123 388 T HN 0.244 nan 8.240 nan 0.000 0.512 389 S N 0.151 115.700 115.700 -0.252 0.000 2.387 389 S HA -0.058 4.412 4.470 0.001 0.000 0.226 389 S C 0.849 175.374 174.600 -0.125 0.000 1.026 389 S CA 0.864 58.974 58.200 -0.151 0.000 0.972 389 S CB -0.937 62.214 63.200 -0.082 0.000 0.814 389 S HN 0.880 nan 8.310 nan 0.000 0.477 390 D N 2.248 122.573 120.400 -0.126 0.000 2.483 390 D HA 0.267 4.907 4.640 0.001 0.000 0.261 390 D C 0.254 176.510 176.300 -0.073 0.000 1.318 390 D CA 0.439 54.404 54.000 -0.060 0.000 1.201 390 D CB -0.642 40.164 40.800 0.010 0.000 1.127 390 D HN 0.377 nan 8.370 nan 0.000 0.519 391 K N 1.324 121.689 120.400 -0.059 0.000 1.399 391 K HA -0.158 4.162 4.320 0.001 0.000 0.733 391 K C 0.833 177.385 176.600 -0.081 0.000 1.997 391 K CA 1.347 57.606 56.287 -0.046 0.000 1.105 391 K CB -1.305 31.187 32.500 -0.013 0.000 2.031 391 K HN 0.372 nan 8.250 nan 0.000 0.456 392 G N 0.826 109.607 108.800 -0.033 0.000 3.448 392 G HA2 0.151 4.111 3.960 0.001 0.000 0.261 392 G HA3 0.151 4.111 3.960 0.001 0.000 0.261 392 G C -0.236 174.709 174.900 0.075 0.000 1.173 392 G CA -0.165 44.931 45.100 -0.008 0.000 0.835 392 G HN 0.220 nan 8.290 nan 0.000 0.534 393 R N -0.142 120.352 120.500 -0.009 0.000 2.679 393 R HA 0.433 4.774 4.340 0.001 0.000 0.269 393 R C -0.980 175.293 176.300 -0.045 0.000 1.076 393 R CA -0.049 56.110 56.100 0.098 0.000 1.160 393 R CB 0.513 30.850 30.300 0.062 0.000 1.054 393 R HN 0.161 nan 8.270 nan 0.000 0.507 394 F N 0.491 120.410 119.950 -0.051 0.000 2.551 394 F HA 0.337 4.865 4.527 0.001 0.000 0.316 394 F C -0.373 175.523 175.800 0.160 0.000 1.089 394 F CA -1.081 56.892 58.000 -0.046 0.000 0.915 394 F CB 1.444 40.425 39.000 -0.032 0.000 1.186 394 F HN 0.194 nan 8.300 nan 0.000 0.456 395 Y N 1.661 122.047 120.300 0.143 0.000 2.330 395 Y HA 0.599 5.150 4.550 0.001 0.000 0.336 395 Y C 0.364 176.354 175.900 0.149 0.000 1.036 395 Y CA -2.174 55.996 58.100 0.117 0.000 1.125 395 Y CB 1.124 39.633 38.460 0.081 0.000 1.194 395 Y HN 0.625 nan 8.280 nan 0.000 0.469 396 A N 4.364 127.352 122.820 0.280 0.000 2.450 396 A HA 0.391 4.712 4.320 0.001 0.000 0.255 396 A C -1.086 176.637 177.584 0.231 0.000 1.096 396 A CA -0.122 52.037 52.037 0.204 0.000 0.778 396 A CB -0.332 18.738 19.000 0.116 0.000 1.031 396 A HN 0.574 nan 8.150 nan 0.000 0.494 397 F N 2.515 122.520 119.950 0.091 0.000 2.458 397 F HA 0.677 5.205 4.527 0.001 0.000 0.336 397 F C 0.430 176.284 175.800 0.090 0.000 1.114 397 F CA 0.520 58.571 58.000 0.085 0.000 0.987 397 F CB 1.565 40.615 39.000 0.084 0.000 1.130 397 F HN 0.881 nan 8.300 nan 0.000 0.458 398 G N 5.126 113.476 108.800 -0.750 0.000 2.500 398 G HA2 0.464 4.424 3.960 0.001 0.000 0.299 398 G HA3 0.464 4.424 3.960 0.001 0.000 0.299 398 G C -2.032 172.595 174.900 -0.456 0.000 1.242 398 G CA -1.110 43.725 45.100 -0.441 0.000 0.859 398 G HN 0.757 nan 8.290 nan 0.000 0.481 399 R N -0.782 119.603 120.500 -0.193 0.000 2.673 399 R HA 0.603 4.944 4.340 0.001 0.000 0.281 399 R C -1.543 174.601 176.300 -0.260 0.000 0.991 399 R CA -0.565 55.347 56.100 -0.313 0.000 0.896 399 R CB 2.325 32.325 30.300 -0.500 0.000 1.201 399 R HN 0.384 nan 8.270 nan 0.000 0.457 400 V N 5.730 125.475 119.914 -0.282 0.000 2.339 400 V HA 0.216 4.337 4.120 0.001 0.000 0.261 400 V C 0.286 176.250 176.094 -0.217 0.000 1.058 400 V CA -0.076 62.133 62.300 -0.152 0.000 0.897 400 V CB 0.583 32.344 31.823 -0.103 0.000 1.052 400 V HN 0.756 nan 8.190 nan 0.000 0.480 401 F N 2.728 122.683 119.950 0.008 0.000 2.615 401 F HA 0.475 5.003 4.527 0.001 0.000 0.297 401 F C 1.244 177.030 175.800 -0.024 0.000 1.124 401 F CA 0.783 58.777 58.000 -0.011 0.000 1.451 401 F CB 0.304 39.306 39.000 0.003 0.000 1.103 401 F HN 0.581 nan 8.300 nan 0.000 0.569 402 A N -1.170 121.725 122.820 0.124 0.000 2.594 402 A HA 0.590 4.911 4.320 0.001 0.000 0.296 402 A C 0.160 177.763 177.584 0.031 0.000 1.061 402 A CA -0.297 51.775 52.037 0.059 0.000 0.689 402 A CB 0.213 19.242 19.000 0.049 0.000 1.280 402 A HN 0.700 nan 8.150 nan 0.000 0.406 403 G N 0.104 108.911 108.800 0.010 0.000 2.698 403 G HA2 0.425 4.385 3.960 0.001 0.000 0.233 403 G HA3 0.425 4.385 3.960 0.001 0.000 0.233 403 G C 0.164 175.060 174.900 -0.006 0.000 1.352 403 G CA 0.464 45.565 45.100 0.002 0.000 0.879 403 G HN 2.873 nan 8.290 nan 0.000 0.567 404 T N -3.617 110.932 114.554 -0.009 0.000 2.916 404 T HA 0.669 5.019 4.350 0.001 0.000 0.298 404 T C -0.338 174.352 174.700 -0.016 0.000 1.031 404 T CA 0.124 62.214 62.100 -0.017 0.000 0.993 404 T CB 1.865 70.721 68.868 -0.020 0.000 1.045 404 T HN 2.019 nan 8.240 nan 0.000 0.454 405 V N 3.330 123.231 119.914 -0.021 0.000 2.644 405 V HA 0.825 4.945 4.120 0.001 0.000 0.295 405 V C -0.788 175.291 176.094 -0.025 0.000 1.053 405 V CA -0.474 61.813 62.300 -0.022 0.000 0.987 405 V CB 1.004 32.812 31.823 -0.025 0.000 1.006 405 V HN 1.170 nan 8.190 nan 0.000 0.472 406 K N 3.341 123.727 120.400 -0.023 0.000 2.543 406 K HA 0.464 4.785 4.320 0.001 0.000 0.255 406 K C -0.773 175.812 176.600 -0.024 0.000 0.934 406 K CA -0.550 55.722 56.287 -0.024 0.000 0.810 406 K CB 1.538 34.026 32.500 -0.020 0.000 1.315 406 K HN 0.443 nan 8.250 nan 0.000 0.433 407 S N 0.842 116.526 115.700 -0.026 0.000 2.642 407 S HA 0.179 4.650 4.470 0.001 0.000 0.308 407 S C 1.366 175.954 174.600 -0.020 0.000 1.255 407 S CA 1.433 59.617 58.200 -0.026 0.000 1.057 407 S CB 0.097 63.281 63.200 -0.026 0.000 0.785 407 S HN 1.073 nan 8.310 nan 0.000 0.500 408 G N 2.120 110.909 108.800 -0.018 0.000 2.363 408 G HA2 -0.329 3.631 3.960 0.001 0.000 0.238 408 G HA3 -0.329 3.631 3.960 0.001 0.000 0.238 408 G C 0.172 175.062 174.900 -0.016 0.000 1.062 408 G CA 0.367 45.458 45.100 -0.014 0.000 0.629 408 G HN 0.830 nan 8.290 nan 0.000 0.514 409 Q N 1.925 121.714 119.800 -0.018 0.000 2.269 409 Q HA 0.264 4.604 4.340 0.001 0.000 0.300 409 Q C 0.726 176.711 176.000 -0.025 0.000 1.070 409 Q CA 0.611 56.402 55.803 -0.020 0.000 0.957 409 Q CB 0.212 28.939 28.738 -0.019 0.000 1.131 409 Q HN 0.676 nan 8.270 nan 0.000 0.377 410 K N 2.056 122.439 120.400 -0.027 0.000 2.276 410 K HA 0.425 4.746 4.320 0.001 0.000 0.283 410 K C -1.049 175.524 176.600 -0.045 0.000 1.044 410 K CA -0.746 55.517 56.287 -0.040 0.000 0.944 410 K CB 1.286 33.763 32.500 -0.039 0.000 1.012 410 K HN 0.285 nan 8.250 nan 0.000 0.472 411 V N 2.946 122.823 119.914 -0.061 0.000 2.960 411 V HA 0.391 4.511 4.120 0.001 0.000 0.315 411 V C -0.233 175.807 176.094 -0.090 0.000 1.087 411 V CA -1.275 60.989 62.300 -0.060 0.000 0.982 411 V CB 1.892 33.687 31.823 -0.046 0.000 1.039 411 V HN 0.762 nan 8.190 nan 0.000 0.437 412 R N 2.582 123.030 120.500 -0.086 0.000 2.202 412 R HA 0.536 4.876 4.340 0.001 0.000 0.334 412 R C -0.866 175.353 176.300 -0.135 0.000 1.036 412 R CA -0.219 55.802 56.100 -0.132 0.000 0.878 412 R CB 0.670 30.888 30.300 -0.136 0.000 1.067 412 R HN 0.558 nan 8.270 nan 0.000 0.457 413 I N 4.203 124.692 120.570 -0.135 0.000 2.287 413 I HA 0.070 4.240 4.170 0.001 0.000 0.290 413 I C 0.191 176.248 176.117 -0.100 0.000 1.069 413 I CA -0.212 61.051 61.300 -0.061 0.000 1.237 413 I CB 0.818 38.823 38.000 0.009 0.000 1.418 413 I HN 0.383 nan 8.210 nan 0.000 0.481 414 Q N 5.461 125.169 119.800 -0.154 0.000 2.349 414 Q HA 0.387 4.728 4.340 0.001 0.000 0.254 414 Q C 0.545 176.549 176.000 0.008 0.000 0.980 414 Q CA -0.479 55.175 55.803 -0.247 0.000 0.924 414 Q CB 1.715 30.314 28.738 -0.232 0.000 1.209 414 Q HN 0.782 nan 8.270 nan 0.000 0.445 415 G N 2.934 111.785 108.800 0.085 0.000 2.621 415 G HA2 0.149 4.110 3.960 0.001 0.000 0.271 415 G HA3 0.149 4.110 3.960 0.001 0.000 0.271 415 G C -1.752 173.249 174.900 0.168 0.000 1.236 415 G CA -1.204 43.995 45.100 0.165 0.000 0.958 415 G HN 0.350 nan 8.290 nan 0.000 0.512 416 P HA -0.142 nan 4.420 nan 0.000 0.216 416 P C 1.487 178.865 177.300 0.130 0.000 1.157 416 P CA 1.190 64.370 63.100 0.133 0.000 0.880 416 P CB 0.193 31.970 31.700 0.129 0.000 0.791 417 N N -2.611 116.172 118.700 0.138 0.000 2.467 417 N HA -0.064 4.677 4.740 0.001 0.000 0.184 417 N C 0.468 176.046 175.510 0.113 0.000 1.106 417 N CA 0.156 53.273 53.050 0.112 0.000 0.892 417 N CB -0.462 38.088 38.487 0.104 0.000 0.969 417 N HN 0.220 nan 8.380 nan 0.000 0.454 418 Y N 1.283 121.589 120.300 0.010 0.000 2.652 418 Y HA 0.073 4.623 4.550 0.001 0.000 0.344 418 Y C 0.047 175.924 175.900 -0.039 0.000 1.254 418 Y CA 0.158 58.243 58.100 -0.024 0.000 1.480 418 Y CB 0.583 39.027 38.460 -0.026 0.000 1.345 418 Y HN -0.296 nan 8.280 nan 0.000 0.617 419 V N 8.010 127.397 119.914 -0.878 0.000 2.697 419 V HA 0.149 4.270 4.120 0.001 0.000 0.300 419 V C -1.897 173.600 176.094 -0.994 0.000 1.115 419 V CA -1.397 60.499 62.300 -0.673 0.000 0.912 419 V CB 1.851 33.473 31.823 -0.335 0.000 1.024 419 V HN 0.636 nan 8.190 nan 0.000 0.431 420 P HA -0.243 nan 4.420 nan 0.000 0.219 420 P C 1.569 178.658 177.300 -0.352 0.000 1.153 420 P CA 2.205 64.996 63.100 -0.515 0.000 0.865 420 P CB 0.269 31.685 31.700 -0.473 0.000 0.788 421 G N -0.450 108.163 108.800 -0.313 0.000 2.511 421 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 421 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 421 G C 0.751 175.549 174.900 -0.169 0.000 1.218 421 G CA 0.770 45.757 45.100 -0.188 0.000 0.788 421 G HN 0.281 nan 8.290 nan 0.000 0.560 422 K N -0.579 119.697 120.400 -0.207 0.000 2.318 422 K HA 0.388 4.708 4.320 0.001 0.000 0.243 422 K C 0.530 177.070 176.600 -0.100 0.000 1.047 422 K CA -0.472 55.736 56.287 -0.133 0.000 0.937 422 K CB 0.693 33.130 32.500 -0.105 0.000 1.225 422 K HN -0.079 nan 8.250 nan 0.000 0.506 423 K N 1.026 121.416 120.400 -0.017 0.000 2.414 423 K HA 0.106 4.426 4.320 0.001 0.000 0.204 423 K C -0.774 175.856 176.600 0.051 0.000 1.026 423 K CA 0.021 56.343 56.287 0.058 0.000 1.108 423 K CB 0.473 32.980 32.500 0.011 0.000 0.855 423 K HN 0.498 nan 8.250 nan 0.000 0.517 424 D N 1.915 122.339 120.400 0.040 0.000 2.382 424 D HA -0.033 4.607 4.640 0.001 0.000 0.245 424 D C 0.413 176.765 176.300 0.087 0.000 1.120 424 D CA 0.588 54.606 54.000 0.031 0.000 0.890 424 D CB 0.808 41.625 40.800 0.028 0.000 1.201 424 D HN 0.072 nan 8.370 nan 0.000 0.433 425 D N 0.345 120.716 120.400 -0.048 0.000 2.837 425 D HA -0.200 4.441 4.640 0.001 0.000 0.230 425 D C -0.876 175.223 176.300 -0.335 0.000 1.152 425 D CA 0.397 54.349 54.000 -0.080 0.000 0.736 425 D CB -0.876 40.005 40.800 0.135 0.000 1.084 425 D HN 0.222 nan 8.370 nan 0.000 0.429 426 L N -0.344 120.471 121.223 -0.679 0.000 2.330 426 L HA 0.735 5.076 4.340 0.001 0.000 0.271 426 L C -0.854 175.314 176.870 -1.171 0.000 1.013 426 L CA -0.530 53.862 54.840 -0.746 0.000 0.816 426 L CB 1.400 43.182 42.059 -0.462 0.000 1.287 426 L HN -0.053 nan 8.230 nan 0.000 0.435 427 F N 4.822 124.643 119.950 -0.216 0.000 2.946 427 F HA 0.386 4.913 4.527 0.001 0.000 0.375 427 F C -0.229 175.359 175.800 -0.354 0.000 1.320 427 F CA -0.473 57.369 58.000 -0.263 0.000 1.181 427 F CB 0.246 39.053 39.000 -0.320 0.000 2.051 427 F HN 0.194 nan 8.300 nan 0.000 0.622 428 I N 3.574 124.052 120.570 -0.154 0.000 2.886 428 I HA -0.036 4.135 4.170 0.001 0.000 0.293 428 I C 0.281 176.295 176.117 -0.172 0.000 1.157 428 I CA 0.632 61.843 61.300 -0.149 0.000 1.472 428 I CB -0.375 37.561 38.000 -0.106 0.000 1.492 428 I HN 0.258 nan 8.210 nan 0.000 0.652 429 K N 4.552 124.804 120.400 -0.247 0.000 2.331 429 K HA 0.812 5.132 4.320 0.001 0.000 0.238 429 K C -0.622 175.890 176.600 -0.147 0.000 1.058 429 K CA -0.961 55.168 56.287 -0.262 0.000 0.871 429 K CB 1.783 33.923 32.500 -0.600 0.000 1.292 429 K HN 0.372 nan 8.250 nan 0.000 0.470 430 A N 1.274 124.043 122.820 -0.085 0.000 2.304 430 A HA 0.488 4.809 4.320 0.001 0.000 0.323 430 A C -0.136 177.438 177.584 -0.016 0.000 1.195 430 A CA -0.669 51.344 52.037 -0.040 0.000 0.826 430 A CB 0.132 19.122 19.000 -0.017 0.000 1.184 430 A HN 0.504 nan 8.150 nan 0.000 0.496 431 I N 3.585 124.143 120.570 -0.020 0.000 2.471 431 I HA -0.041 4.130 4.170 0.001 0.000 0.294 431 I C 1.465 177.577 176.117 -0.009 0.000 1.123 431 I CA 0.682 61.976 61.300 -0.010 0.000 1.336 431 I CB -0.412 37.576 38.000 -0.021 0.000 1.430 431 I HN 0.885 nan 8.210 nan 0.000 0.533 432 Q N 3.909 123.711 119.800 0.004 0.000 2.045 432 Q HA -0.155 4.185 4.340 0.001 0.000 0.206 432 Q C 0.582 176.562 176.000 -0.033 0.000 0.991 432 Q CA 1.642 57.443 55.803 -0.004 0.000 0.851 432 Q CB 0.157 28.902 28.738 0.012 0.000 0.911 432 Q HN 0.445 nan 8.270 nan 0.000 0.418 433 R N -0.821 119.638 120.500 -0.068 0.000 2.566 433 R HA 0.311 4.652 4.340 0.001 0.000 0.271 433 R C -2.044 174.184 176.300 -0.120 0.000 1.071 433 R CA -0.264 55.781 56.100 -0.091 0.000 0.915 433 R CB 1.802 32.036 30.300 -0.110 0.000 1.228 433 R HN -0.130 nan 8.270 nan 0.000 0.449 434 V N 5.073 124.937 119.914 -0.084 0.000 2.407 434 V HA 0.656 4.777 4.120 0.001 0.000 0.278 434 V C -0.176 175.877 176.094 -0.068 0.000 1.037 434 V CA -0.482 61.774 62.300 -0.075 0.000 0.900 434 V CB 1.349 33.144 31.823 -0.047 0.000 0.983 434 V HN 0.611 nan 8.190 nan 0.000 0.459 435 V N 3.432 123.307 119.914 -0.066 0.000 3.007 435 V HA 0.655 4.776 4.120 0.001 0.000 0.311 435 V C -0.719 175.393 176.094 0.031 0.000 1.120 435 V CA -1.040 61.248 62.300 -0.021 0.000 0.980 435 V CB 2.097 33.896 31.823 -0.039 0.000 1.033 435 V HN 0.618 nan 8.190 nan 0.000 0.429 436 L N 3.983 125.240 121.223 0.057 0.000 2.305 436 L HA 0.439 4.780 4.340 0.001 0.000 0.281 436 L C 0.284 177.230 176.870 0.127 0.000 1.085 436 L CA -0.495 54.395 54.840 0.083 0.000 0.813 436 L CB 1.380 43.484 42.059 0.075 0.000 1.157 436 L HN 0.583 nan 8.230 nan 0.000 0.436 437 M N 5.013 124.709 119.600 0.161 0.000 3.436 437 M HA 0.142 4.622 4.480 0.001 0.000 0.240 437 M C 0.064 176.440 176.300 0.127 0.000 1.469 437 M CA 0.180 55.586 55.300 0.176 0.000 1.622 437 M CB 0.040 32.810 32.600 0.283 0.000 1.098 437 M HN 0.528 nan 8.290 nan 0.000 0.568 438 M N 1.273 120.947 119.600 0.124 0.000 3.700 438 M HA 0.166 4.647 4.480 0.001 0.000 0.190 438 M C 1.353 177.686 176.300 0.055 0.000 1.422 438 M CA 0.241 55.616 55.300 0.125 0.000 1.646 438 M CB -1.752 30.962 32.600 0.190 0.000 1.154 438 M HN 0.850 nan 8.290 nan 0.000 0.506 439 G N 1.855 110.653 108.800 -0.003 0.000 4.026 439 G HA2 -0.378 3.582 3.960 0.001 0.000 0.309 439 G HA3 -0.378 3.582 3.960 0.001 0.000 0.309 439 G C 1.155 175.931 174.900 -0.208 0.000 1.411 439 G CA 0.636 45.678 45.100 -0.098 0.000 1.037 439 G HN 0.489 nan 8.290 nan 0.000 0.687 440 R N -0.259 119.988 120.500 -0.422 0.000 2.307 440 R HA 0.466 4.807 4.340 0.001 0.000 0.200 440 R C 0.037 175.962 176.300 -0.626 0.000 0.893 440 R CA 0.058 55.788 56.100 -0.617 0.000 1.042 440 R CB 0.177 29.941 30.300 -0.895 0.000 1.059 440 R HN 0.296 nan 8.270 nan 0.000 0.530 441 F N 0.053 120.013 119.950 0.016 0.000 2.523 441 F HA 0.410 4.938 4.527 0.001 0.000 0.329 441 F C 0.036 175.872 175.800 0.060 0.000 1.061 441 F CA -1.632 56.386 58.000 0.031 0.000 0.967 441 F CB 1.321 40.336 39.000 0.026 0.000 1.218 441 F HN -0.331 nan 8.300 nan 0.000 0.480 442 V N -0.880 119.198 119.914 0.273 0.000 2.581 442 V HA 0.814 4.934 4.120 0.001 0.000 0.303 442 V C -1.073 175.115 176.094 0.156 0.000 1.041 442 V CA -0.655 61.768 62.300 0.204 0.000 0.907 442 V CB 1.725 33.693 31.823 0.240 0.000 0.994 442 V HN 0.737 nan 8.190 nan 0.000 0.442 443 E N 4.562 124.831 120.200 0.114 0.000 2.235 443 E HA 0.576 4.927 4.350 0.001 0.000 0.252 443 E C -2.881 173.745 176.600 0.044 0.000 0.886 443 E CA -2.313 54.133 56.400 0.076 0.000 0.767 443 E CB 1.893 31.640 29.700 0.078 0.000 1.205 443 E HN 0.650 nan 8.360 nan 0.000 0.421 444 P HA -0.005 nan 4.420 nan 0.000 0.263 444 P C -0.816 176.484 177.300 -0.000 0.000 1.175 444 P CA 0.202 63.303 63.100 0.002 0.000 0.761 444 P CB 0.353 32.053 31.700 -0.000 0.000 0.794 445 I N 1.951 122.515 120.570 -0.011 0.000 2.656 445 I HA 0.235 4.405 4.170 0.001 0.000 0.292 445 I C 0.644 176.749 176.117 -0.020 0.000 1.144 445 I CA -0.464 60.829 61.300 -0.012 0.000 1.038 445 I CB 1.600 39.594 38.000 -0.011 0.000 1.244 445 I HN 0.230 nan 8.210 nan 0.000 0.420 446 D N 4.065 124.454 120.400 -0.019 0.000 2.137 446 D HA -0.132 4.509 4.640 0.001 0.000 0.193 446 D C -0.017 176.269 176.300 -0.023 0.000 0.993 446 D CA 1.956 55.944 54.000 -0.020 0.000 0.846 446 D CB -0.004 40.786 40.800 -0.018 0.000 0.990 446 D HN 0.788 nan 8.370 nan 0.000 0.448 447 D N -1.161 119.225 120.400 -0.024 0.000 2.533 447 D HA 0.366 5.007 4.640 0.001 0.000 0.247 447 D C -0.899 175.384 176.300 -0.029 0.000 1.056 447 D CA -0.702 53.282 54.000 -0.026 0.000 1.054 447 D CB 2.174 42.960 40.800 -0.023 0.000 1.400 447 D HN 0.197 nan 8.370 nan 0.000 0.533 448 C N 1.323 120.604 119.300 -0.032 0.000 2.705 448 C HA 0.480 4.941 4.460 0.001 0.000 0.369 448 C C -2.832 172.134 174.990 -0.041 0.000 1.069 448 C CA -0.939 58.056 59.018 -0.038 0.000 1.260 448 C CB 1.296 29.009 27.740 -0.044 0.000 1.764 448 C HN 0.490 nan 8.230 nan 0.000 0.469 449 P HA 0.349 nan 4.420 nan 0.000 0.276 449 P C -0.275 176.992 177.300 -0.054 0.000 1.252 449 P CA 0.095 63.172 63.100 -0.040 0.000 0.802 449 P CB 0.879 32.558 31.700 -0.035 0.000 1.035 450 A N 0.786 123.578 122.820 -0.048 0.000 2.561 450 A HA 0.367 4.687 4.320 0.001 0.000 0.234 450 A C 1.425 178.956 177.584 -0.089 0.000 1.055 450 A CA 1.080 53.078 52.037 -0.065 0.000 0.756 450 A CB -1.593 17.389 19.000 -0.030 0.000 0.986 450 A HN 0.914 nan 8.150 nan 0.000 0.505 451 G N 1.670 110.378 108.800 -0.153 0.000 2.201 451 G HA2 -0.179 3.782 3.960 0.001 0.000 0.212 451 G HA3 -0.179 3.782 3.960 0.001 0.000 0.212 451 G C -0.103 174.701 174.900 -0.160 0.000 0.994 451 G CA 0.246 45.252 45.100 -0.156 0.000 0.644 451 G HN 0.964 nan 8.290 nan 0.000 0.508 452 N N -0.452 118.151 118.700 -0.161 0.000 2.402 452 N HA 0.741 5.481 4.740 0.001 0.000 0.294 452 N C -0.787 174.619 175.510 -0.173 0.000 1.203 452 N CA -0.666 52.305 53.050 -0.130 0.000 0.838 452 N CB 1.296 39.733 38.487 -0.082 0.000 1.306 452 N HN 0.034 nan 8.380 nan 0.000 0.510 453 I N 1.606 122.096 120.570 -0.134 0.000 2.312 453 I HA 0.361 4.531 4.170 0.001 0.000 0.291 453 I C -0.520 175.512 176.117 -0.142 0.000 1.031 453 I CA -0.223 60.960 61.300 -0.195 0.000 1.293 453 I CB 0.258 38.206 38.000 -0.087 0.000 1.403 453 I HN 0.445 nan 8.210 nan 0.000 0.484 454 I N 5.014 125.458 120.570 -0.209 0.000 3.145 454 I HA 0.856 5.027 4.170 0.001 0.000 0.313 454 I C -0.129 175.935 176.117 -0.088 0.000 1.122 454 I CA -0.502 60.739 61.300 -0.098 0.000 0.987 454 I CB 2.330 40.283 38.000 -0.079 0.000 1.236 454 I HN 0.482 nan 8.210 nan 0.000 0.453 455 G N 4.155 112.963 108.800 0.012 0.000 2.452 455 G HA2 0.676 4.637 3.960 0.001 0.000 0.324 455 G HA3 0.676 4.637 3.960 0.001 0.000 0.324 455 G C -1.701 173.192 174.900 -0.011 0.000 1.214 455 G CA -0.590 44.550 45.100 0.066 0.000 0.947 455 G HN 0.574 nan 8.290 nan 0.000 0.478 456 L N 1.093 122.313 121.223 -0.004 0.000 2.346 456 L HA 0.621 4.961 4.340 0.001 0.000 0.274 456 L C -0.607 176.180 176.870 -0.137 0.000 1.007 456 L CA -1.234 53.571 54.840 -0.060 0.000 0.818 456 L CB 2.367 44.420 42.059 -0.009 0.000 1.284 456 L HN 0.161 nan 8.230 nan 0.000 0.424 457 V N 1.226 121.002 119.914 -0.231 0.000 2.378 457 V HA 0.685 4.805 4.120 0.001 0.000 0.288 457 V C 0.595 176.659 176.094 -0.050 0.000 1.016 457 V CA 0.045 62.159 62.300 -0.310 0.000 0.840 457 V CB 1.143 32.623 31.823 -0.572 0.000 0.994 457 V HN 1.064 nan 8.190 nan 0.000 0.431 458 G N 4.288 113.134 108.800 0.076 0.000 2.147 458 G HA2 -0.136 3.825 3.960 0.001 0.000 0.128 458 G HA3 -0.136 3.825 3.960 0.001 0.000 0.128 458 G C -0.055 174.977 174.900 0.219 0.000 1.026 458 G CA 0.015 45.190 45.100 0.126 0.000 0.693 458 G HN 0.593 nan 8.290 nan 0.000 0.499 459 I N 1.051 121.737 120.570 0.193 0.000 4.312 459 I HA 0.193 4.364 4.170 0.001 0.000 0.324 459 I C 2.047 178.212 176.117 0.079 0.000 1.298 459 I CA 0.965 62.435 61.300 0.283 0.000 1.231 459 I CB 0.310 38.423 38.000 0.188 0.000 1.152 459 I HN 0.167 nan 8.210 nan 0.000 0.421 460 D N 1.385 121.799 120.400 0.024 0.000 2.248 460 D HA -0.334 4.307 4.640 0.001 0.000 0.191 460 D C 1.665 177.802 176.300 -0.272 0.000 1.013 460 D CA 1.774 55.733 54.000 -0.068 0.000 0.883 460 D CB -0.742 40.084 40.800 0.043 0.000 0.915 460 D HN 0.515 nan 8.370 nan 0.000 0.448 461 Q N -0.501 118.985 119.800 -0.522 0.000 2.282 461 Q HA 0.082 4.422 4.340 0.001 0.000 0.205 461 Q C 0.334 175.736 176.000 -0.996 0.000 0.915 461 Q CA 0.205 55.566 55.803 -0.737 0.000 0.949 461 Q CB -0.128 28.121 28.738 -0.815 0.000 1.035 461 Q HN 0.424 nan 8.270 nan 0.000 0.484 462 F N -0.194 119.540 119.950 -0.361 0.000 2.729 462 F HA 0.367 4.894 4.527 0.001 0.000 0.304 462 F C 0.569 176.126 175.800 -0.406 0.000 1.008 462 F CA -0.281 57.327 58.000 -0.653 0.000 1.188 462 F CB 0.768 39.468 39.000 -0.500 0.000 0.980 462 F HN -0.120 nan 8.300 nan 0.000 0.627 463 L N 1.142 122.336 121.223 -0.049 0.000 2.325 463 L HA 0.309 4.650 4.340 0.001 0.000 0.281 463 L C 0.776 177.596 176.870 -0.084 0.000 1.004 463 L CA -0.560 54.268 54.840 -0.019 0.000 0.823 463 L CB 2.285 44.360 42.059 0.026 0.000 1.236 463 L HN 0.049 nan 8.230 nan 0.000 0.415 464 L N 3.913 125.090 121.223 -0.075 0.000 1.988 464 L HA -0.117 4.223 4.340 0.001 0.000 0.207 464 L C 1.657 178.434 176.870 -0.155 0.000 1.071 464 L CA 2.158 56.922 54.840 -0.126 0.000 0.744 464 L CB -0.129 41.887 42.059 -0.072 0.000 0.893 464 L HN 0.683 nan 8.230 nan 0.000 0.433 465 K N -3.313 117.027 120.400 -0.100 0.000 2.890 465 K HA 0.238 4.558 4.320 0.001 0.000 0.202 465 K C 0.032 176.604 176.600 -0.046 0.000 1.592 465 K CA 0.384 56.582 56.287 -0.148 0.000 1.197 465 K CB 0.761 33.041 32.500 -0.367 0.000 1.913 465 K HN 0.079 nan 8.250 nan 0.000 0.550 466 T N 0.641 115.227 114.554 0.053 0.000 2.918 466 T HA 0.694 5.044 4.350 0.001 0.000 0.286 466 T C -0.221 174.480 174.700 0.001 0.000 1.026 466 T CA -0.509 61.628 62.100 0.062 0.000 1.031 466 T CB 1.933 70.944 68.868 0.238 0.000 1.046 466 T HN 0.424 nan 8.240 nan 0.000 0.479 467 G N 0.439 109.163 108.800 -0.127 0.000 2.356 467 G HA2 0.529 4.490 3.960 0.001 0.000 0.294 467 G HA3 0.529 4.490 3.960 0.001 0.000 0.294 467 G C -1.499 173.315 174.900 -0.143 0.000 1.423 467 G CA -0.684 44.371 45.100 -0.075 0.000 0.806 467 G HN 0.691 nan 8.290 nan 0.000 0.527 468 T N 0.292 114.832 114.554 -0.024 0.000 2.841 468 T HA 0.634 4.984 4.350 0.001 0.000 0.283 468 T C -0.982 173.734 174.700 0.028 0.000 1.000 468 T CA -0.343 61.775 62.100 0.031 0.000 0.977 468 T CB 1.548 70.485 68.868 0.116 0.000 0.979 468 T HN 0.348 nan 8.240 nan 0.000 0.446 469 L N 3.617 124.866 121.223 0.044 0.000 2.325 469 L HA 0.701 5.041 4.340 0.001 0.000 0.281 469 L C 0.724 177.620 176.870 0.044 0.000 1.004 469 L CA -0.213 54.639 54.840 0.021 0.000 0.823 469 L CB 1.703 43.769 42.059 0.012 0.000 1.236 469 L HN 0.948 nan 8.230 nan 0.000 0.415 470 T N -2.037 112.530 114.554 0.021 0.000 2.669 470 T HA 0.647 4.998 4.350 0.001 0.000 0.283 470 T C 0.298 175.005 174.700 0.011 0.000 1.019 470 T CA -0.097 62.027 62.100 0.039 0.000 1.039 470 T CB 1.860 70.772 68.868 0.073 0.000 1.374 470 T HN 0.328 nan 8.240 nan 0.000 0.523 471 T N 0.007 114.573 114.554 0.022 0.000 3.051 471 T HA 0.342 4.692 4.350 0.001 0.000 0.254 471 T C 0.729 175.440 174.700 0.019 0.000 0.916 471 T CA 0.086 62.191 62.100 0.008 0.000 0.894 471 T CB 0.220 69.092 68.868 0.006 0.000 1.251 471 T HN 0.678 nan 8.240 nan 0.000 0.517 472 S N 2.275 117.998 115.700 0.038 0.000 2.488 472 S HA 0.067 4.537 4.470 0.001 0.000 0.278 472 S C 1.260 175.896 174.600 0.061 0.000 1.259 472 S CA -0.234 57.995 58.200 0.049 0.000 1.061 472 S CB 0.398 63.637 63.200 0.065 0.000 0.910 472 S HN 0.240 nan 8.310 nan 0.000 0.491 473 E N 2.712 122.941 120.200 0.049 0.000 2.338 473 E HA -0.091 4.259 4.350 0.001 0.000 0.197 473 E C 1.090 177.732 176.600 0.069 0.000 1.007 473 E CA 1.174 57.607 56.400 0.055 0.000 0.849 473 E CB -0.076 29.645 29.700 0.035 0.000 0.774 473 E HN 0.837 nan 8.360 nan 0.000 0.506 474 T N -1.771 112.825 114.554 0.070 0.000 3.275 474 T HA 0.547 4.897 4.350 0.001 0.000 0.265 474 T C 0.060 174.839 174.700 0.131 0.000 0.978 474 T CA -0.467 61.675 62.100 0.070 0.000 0.923 474 T CB 0.526 69.438 68.868 0.073 0.000 1.126 474 T HN 0.030 nan 8.240 nan 0.000 0.538 475 A N 1.310 124.220 122.820 0.150 0.000 2.260 475 A HA 0.661 4.982 4.320 0.001 0.000 0.314 475 A C -0.338 177.383 177.584 0.229 0.000 1.257 475 A CA -0.659 51.534 52.037 0.260 0.000 0.871 475 A CB 0.234 19.368 19.000 0.223 0.000 1.166 475 A HN 0.639 nan 8.150 nan 0.000 0.522 476 H N 1.332 120.527 119.070 0.208 0.000 2.597 476 H HA 0.233 4.789 4.556 0.001 0.000 0.370 476 H C 0.540 175.884 175.328 0.027 0.000 1.281 476 H CA 0.380 56.418 56.048 -0.018 0.000 1.422 476 H CB 0.523 30.066 29.762 -0.366 0.000 1.524 476 H HN 0.675 nan 8.280 nan 0.000 0.607 477 N N 0.469 119.239 118.700 0.117 0.000 2.445 477 N HA 0.173 4.914 4.740 0.001 0.000 0.264 477 N C -0.318 175.234 175.510 0.070 0.000 1.227 477 N CA -0.146 52.985 53.050 0.136 0.000 0.963 477 N CB 0.769 39.342 38.487 0.142 0.000 1.188 477 N HN 0.406 nan 8.380 nan 0.000 0.491 478 M N 0.474 120.183 119.600 0.182 0.000 2.409 478 M HA 0.175 4.656 4.480 0.001 0.000 0.329 478 M C 0.373 176.789 176.300 0.195 0.000 1.180 478 M CA -0.919 54.489 55.300 0.179 0.000 1.053 478 M CB 0.866 33.636 32.600 0.283 0.000 1.586 478 M HN 0.275 nan 8.290 nan 0.000 0.461 479 K N 2.510 122.952 120.400 0.069 0.000 2.277 479 K HA -0.058 4.262 4.320 0.001 0.000 0.241 479 K C -0.749 175.972 176.600 0.202 0.000 1.338 479 K CA 0.117 56.443 56.287 0.065 0.000 1.296 479 K CB -1.172 31.312 32.500 -0.026 0.000 0.719 479 K HN 0.502 nan 8.250 nan 0.000 0.537 480 V N 2.342 122.352 119.914 0.161 0.000 2.924 480 V HA 0.288 4.408 4.120 0.001 0.000 0.305 480 V C 0.427 176.591 176.094 0.117 0.000 1.073 480 V CA -0.261 62.141 62.300 0.170 0.000 1.098 480 V CB 0.818 32.705 31.823 0.107 0.000 1.000 480 V HN 0.603 nan 8.190 nan 0.000 0.484 481 M N 3.594 123.257 119.600 0.104 0.000 2.072 481 M HA 0.438 4.918 4.480 0.001 0.000 0.331 481 M C -0.265 175.893 176.300 -0.237 0.000 1.004 481 M CA -0.406 54.845 55.300 -0.081 0.000 0.952 481 M CB 1.462 34.030 32.600 -0.053 0.000 1.511 481 M HN 0.643 nan 8.290 nan 0.000 0.422 482 K N 3.180 123.438 120.400 -0.237 0.000 2.395 482 K HA 0.235 4.556 4.320 0.001 0.000 0.283 482 K C -1.289 175.112 176.600 -0.332 0.000 1.068 482 K CA 0.600 56.781 56.287 -0.176 0.000 1.039 482 K CB 0.130 32.567 32.500 -0.106 0.000 0.924 482 K HN 0.343 nan 8.250 nan 0.000 0.468 483 F N 0.668 120.644 119.950 0.043 0.000 2.540 483 F HA 0.238 4.765 4.527 0.001 0.000 0.317 483 F C 0.425 176.245 175.800 0.033 0.000 1.104 483 F CA -0.700 57.313 58.000 0.023 0.000 0.913 483 F CB 2.178 41.187 39.000 0.014 0.000 1.170 483 F HN 0.296 nan 8.300 nan 0.000 0.450 484 S N 1.636 117.472 115.700 0.227 0.000 2.532 484 S HA 0.532 5.002 4.470 0.001 0.000 0.301 484 S C -0.188 174.443 174.600 0.053 0.000 1.083 484 S CA -0.436 57.855 58.200 0.152 0.000 1.025 484 S CB 1.794 65.116 63.200 0.204 0.000 1.056 484 S HN 0.571 nan 8.310 nan 0.000 0.494 485 V N 3.906 123.826 119.914 0.008 0.000 3.542 485 V HA 0.337 4.458 4.120 0.001 0.000 0.296 485 V C 0.116 176.162 176.094 -0.080 0.000 1.364 485 V CA 0.153 62.427 62.300 -0.042 0.000 1.118 485 V CB 0.022 31.820 31.823 -0.040 0.000 0.972 485 V HN 0.833 nan 8.190 nan 0.000 0.430 486 S N 3.676 119.286 115.700 -0.150 0.000 2.443 486 S HA 0.249 4.719 4.470 0.001 0.000 0.284 486 S C -2.323 172.153 174.600 -0.206 0.000 1.206 486 S CA -0.454 57.576 58.200 -0.284 0.000 1.074 486 S CB 0.822 63.546 63.200 -0.794 0.000 0.963 486 S HN 0.395 nan 8.310 nan 0.000 0.501 487 P HA 0.048 nan 4.420 nan 0.000 0.252 487 P C 0.760 178.047 177.300 -0.021 0.000 1.694 487 P CA -0.084 63.007 63.100 -0.016 0.000 1.163 487 P CB -0.261 31.462 31.700 0.038 0.000 1.934 488 V N 0.719 120.589 119.914 -0.073 0.000 3.623 488 V HA 0.128 4.249 4.120 0.001 0.000 0.271 488 V C 0.376 176.469 176.094 -0.001 0.000 1.248 488 V CA 0.207 62.456 62.300 -0.086 0.000 1.156 488 V CB -0.361 31.336 31.823 -0.211 0.000 0.870 488 V HN 0.031 nan 8.190 nan 0.000 0.453 489 V N 1.737 121.682 119.914 0.052 0.000 2.711 489 V HA 0.609 4.730 4.120 0.001 0.000 0.304 489 V C -0.638 175.511 176.094 0.092 0.000 1.097 489 V CA -0.625 61.730 62.300 0.091 0.000 0.906 489 V CB 1.431 33.316 31.823 0.103 0.000 1.015 489 V HN 0.672 nan 8.190 nan 0.000 0.427 490 Q N 3.399 123.255 119.800 0.095 0.000 2.683 490 Q HA 0.980 5.320 4.340 0.001 0.000 0.302 490 Q C -1.336 174.696 176.000 0.053 0.000 1.042 490 Q CA -1.058 54.789 55.803 0.074 0.000 0.773 490 Q CB 3.071 31.866 28.738 0.094 0.000 1.508 490 Q HN 0.969 nan 8.270 nan 0.000 0.459 491 V N -4.331 115.592 119.914 0.016 0.000 3.216 491 V HA 0.916 5.037 4.120 0.001 0.000 0.302 491 V C -1.225 174.855 176.094 -0.025 0.000 1.286 491 V CA -0.758 61.546 62.300 0.005 0.000 1.048 491 V CB 1.322 33.148 31.823 0.005 0.000 1.081 491 V HN 1.076 nan 8.190 nan 0.000 0.442 492 A N 1.541 124.353 122.820 -0.013 0.000 2.292 492 A HA 0.880 5.201 4.320 0.001 0.000 0.319 492 A C -0.386 177.196 177.584 -0.003 0.000 1.206 492 A CA -0.622 51.407 52.037 -0.013 0.000 0.835 492 A CB 1.208 20.213 19.000 0.009 0.000 1.164 492 A HN 1.266 nan 8.150 nan 0.000 0.505 493 V N 1.525 121.440 119.914 0.002 0.000 2.966 493 V HA 0.798 4.919 4.120 0.001 0.000 0.317 493 V C -0.101 176.008 176.094 0.025 0.000 1.070 493 V CA -0.294 62.006 62.300 0.001 0.000 1.008 493 V CB 1.768 33.575 31.823 -0.027 0.000 1.070 493 V HN 1.075 nan 8.190 nan 0.000 0.457 494 E N 0.463 120.669 120.200 0.010 0.000 2.419 494 E HA 0.417 4.768 4.350 0.001 0.000 0.285 494 E C -0.982 175.622 176.600 0.007 0.000 1.079 494 E CA -0.445 55.967 56.400 0.020 0.000 0.864 494 E CB 1.564 31.284 29.700 0.032 0.000 1.216 494 E HN 0.531 nan 8.360 nan 0.000 0.428 495 V N 1.504 121.422 119.914 0.006 0.000 3.653 495 V HA 0.596 4.716 4.120 0.001 0.000 0.282 495 V C 0.841 176.943 176.094 0.013 0.000 0.993 495 V CA -0.064 62.240 62.300 0.006 0.000 0.986 495 V CB 0.904 32.729 31.823 0.002 0.000 1.249 495 V HN 0.705 nan 8.190 nan 0.000 0.423 496 K N -0.246 120.163 120.400 0.015 0.000 2.374 496 K HA 0.332 4.653 4.320 0.001 0.000 0.202 496 K C -0.300 176.308 176.600 0.014 0.000 1.040 496 K CA 0.085 56.382 56.287 0.016 0.000 1.085 496 K CB -0.332 32.179 32.500 0.018 0.000 0.873 496 K HN 0.938 nan 8.250 nan 0.000 0.539 497 N N -1.069 117.639 118.700 0.013 0.000 2.277 497 N HA 0.400 5.141 4.740 0.001 0.000 0.286 497 N C -0.440 175.077 175.510 0.011 0.000 1.140 497 N CA -0.207 52.850 53.050 0.011 0.000 0.799 497 N CB 1.914 40.407 38.487 0.010 0.000 1.596 497 N HN -0.068 nan 8.380 nan 0.000 0.473 498 A N 1.229 124.056 122.820 0.011 0.000 1.850 498 A HA -0.005 4.315 4.320 0.001 0.000 0.212 498 A C 1.496 179.086 177.584 0.010 0.000 1.208 498 A CA 1.074 53.118 52.037 0.012 0.000 0.609 498 A CB -0.933 18.075 19.000 0.013 0.000 0.860 498 A HN 0.788 nan 8.150 nan 0.000 0.448 499 N N 0.602 119.307 118.700 0.009 0.000 2.242 499 N HA -0.188 4.553 4.740 0.001 0.000 0.191 499 N C 0.657 176.170 175.510 0.006 0.000 1.005 499 N CA 1.552 54.607 53.050 0.007 0.000 0.877 499 N CB -0.169 38.322 38.487 0.006 0.000 0.983 499 N HN 0.461 nan 8.380 nan 0.000 0.439 500 D N 0.492 120.895 120.400 0.005 0.000 2.348 500 D HA -0.073 4.568 4.640 0.001 0.000 0.216 500 D C 1.900 178.197 176.300 -0.005 0.000 0.970 500 D CA 0.064 54.065 54.000 0.001 0.000 0.889 500 D CB -0.084 40.717 40.800 0.001 0.000 0.912 500 D HN 0.339 nan 8.370 nan 0.000 0.524 501 L N 1.226 122.449 121.223 -0.001 0.000 2.054 501 L HA -0.219 4.121 4.340 0.001 0.000 0.220 501 L C -0.796 176.063 176.870 -0.017 0.000 1.081 501 L CA 2.071 56.909 54.840 -0.004 0.000 0.780 501 L CB -1.047 41.022 42.059 0.017 0.000 0.893 501 L HN 0.038 nan 8.230 nan 0.000 0.438 502 P HA -0.186 nan 4.420 nan 0.000 0.218 502 P C 1.057 178.345 177.300 -0.019 0.000 1.148 502 P CA 1.614 64.709 63.100 -0.007 0.000 0.822 502 P CB -0.014 31.687 31.700 0.001 0.000 0.784 503 K N -1.239 119.150 120.400 -0.018 0.000 2.211 503 K HA -0.098 4.223 4.320 0.001 0.000 0.203 503 K C 1.838 178.418 176.600 -0.034 0.000 1.050 503 K CA 0.795 57.072 56.287 -0.016 0.000 0.945 503 K CB -0.552 31.944 32.500 -0.007 0.000 0.732 503 K HN 0.101 nan 8.250 nan 0.000 0.451 504 L N 0.264 121.449 121.223 -0.065 0.000 2.102 504 L HA -0.034 4.307 4.340 0.001 0.000 0.202 504 L C 1.796 178.556 176.870 -0.182 0.000 1.076 504 L CA 1.310 56.077 54.840 -0.120 0.000 0.761 504 L CB -0.222 41.746 42.059 -0.152 0.000 0.921 504 L HN -0.163 nan 8.230 nan 0.000 0.444 505 V N 0.034 119.839 119.914 -0.181 0.000 2.828 505 V HA -0.207 3.914 4.120 0.001 0.000 0.260 505 V C 2.510 178.558 176.094 -0.077 0.000 1.101 505 V CA 1.660 63.864 62.300 -0.159 0.000 1.123 505 V CB -0.666 31.128 31.823 -0.049 0.000 0.704 505 V HN 0.479 nan 8.190 nan 0.000 0.493 506 E N 0.599 120.765 120.200 -0.056 0.000 2.079 506 E HA 0.083 4.433 4.350 0.001 0.000 0.191 506 E C 2.302 178.892 176.600 -0.016 0.000 0.961 506 E CA 1.077 57.463 56.400 -0.023 0.000 0.823 506 E CB -0.679 29.017 29.700 -0.007 0.000 0.789 506 E HN 0.368 nan 8.360 nan 0.000 0.459 507 G N 1.189 109.984 108.800 -0.010 0.000 2.440 507 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 507 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 507 G C 1.616 176.465 174.900 -0.085 0.000 1.154 507 G CA 0.903 46.023 45.100 0.033 0.000 0.767 507 G HN 0.258 nan 8.290 nan 0.000 0.552 508 L N -0.124 121.032 121.223 -0.112 0.000 2.012 508 L HA -0.123 4.218 4.340 0.001 0.000 0.210 508 L C 3.061 179.862 176.870 -0.116 0.000 1.073 508 L CA 1.647 56.404 54.840 -0.138 0.000 0.748 508 L CB -0.266 41.715 42.059 -0.130 0.000 0.891 508 L HN 0.219 nan 8.230 nan 0.000 0.431 509 K N -0.854 119.506 120.400 -0.068 0.000 2.097 509 K HA -0.124 4.197 4.320 0.001 0.000 0.205 509 K C 2.206 178.778 176.600 -0.047 0.000 1.050 509 K CA 0.804 57.070 56.287 -0.036 0.000 0.938 509 K CB -0.065 32.430 32.500 -0.009 0.000 0.718 509 K HN 0.168 nan 8.250 nan 0.000 0.442 510 R N 0.865 121.337 120.500 -0.046 0.000 2.096 510 R HA -0.094 4.247 4.340 0.001 0.000 0.235 510 R C 2.291 178.511 176.300 -0.133 0.000 1.127 510 R CA 0.820 56.924 56.100 0.007 0.000 0.968 510 R CB -0.753 29.644 30.300 0.163 0.000 0.861 510 R HN 0.189 nan 8.270 nan 0.000 0.440 511 L N 0.854 121.791 121.223 -0.476 0.000 2.056 511 L HA -0.022 4.318 4.340 0.001 0.000 0.207 511 L C 1.854 178.588 176.870 -0.227 0.000 1.078 511 L CA 1.730 56.145 54.840 -0.709 0.000 0.749 511 L CB -0.550 41.097 42.059 -0.686 0.000 0.901 511 L HN -0.030 nan 8.230 nan 0.000 0.433 512 S N -0.544 115.081 115.700 -0.125 0.000 2.447 512 S HA -0.100 4.371 4.470 0.001 0.000 0.233 512 S C 1.830 176.454 174.600 0.040 0.000 1.006 512 S CA 0.847 59.031 58.200 -0.027 0.000 0.957 512 S CB -0.226 62.968 63.200 -0.010 0.000 0.773 512 S HN 0.466 nan 8.310 nan 0.000 0.507 513 K N 1.345 121.766 120.400 0.035 0.000 2.098 513 K HA 0.027 4.348 4.320 0.001 0.000 0.203 513 K C 2.435 179.119 176.600 0.140 0.000 1.051 513 K CA 1.339 57.681 56.287 0.092 0.000 0.957 513 K CB -0.326 32.189 32.500 0.026 0.000 0.738 513 K HN 0.479 nan 8.250 nan 0.000 0.447 514 S N 0.425 116.178 115.700 0.088 0.000 2.453 514 S HA -0.069 4.401 4.470 0.001 0.000 0.231 514 S C 0.550 175.258 174.600 0.180 0.000 1.005 514 S CA 0.601 58.858 58.200 0.095 0.000 0.949 514 S CB 0.062 63.352 63.200 0.151 0.000 0.774 514 S HN 0.117 nan 8.310 nan 0.000 0.510 515 D N 0.637 121.149 120.400 0.187 0.000 2.879 515 D HA 0.415 5.056 4.640 0.001 0.000 0.236 515 D C -2.534 173.820 176.300 0.090 0.000 1.171 515 D CA -2.059 52.040 54.000 0.166 0.000 0.868 515 D CB 2.432 43.298 40.800 0.110 0.000 1.598 515 D HN -0.165 nan 8.370 nan 0.000 0.497 516 P HA 0.114 nan 4.420 nan 0.000 0.219 516 P C 1.073 178.308 177.300 -0.107 0.000 1.154 516 P CA 0.459 63.429 63.100 -0.217 0.000 0.826 516 P CB 0.459 31.913 31.700 -0.409 0.000 0.795 517 C N -1.549 117.726 119.300 -0.041 0.000 2.696 517 C HA 0.250 4.711 4.460 0.001 0.000 0.264 517 C C 1.300 176.351 174.990 0.102 0.000 1.288 517 C CA -0.312 58.698 59.018 -0.014 0.000 1.717 517 C CB -0.749 26.927 27.740 -0.105 0.000 1.893 517 C HN 0.051 nan 8.230 nan 0.000 0.577 518 V N 1.807 121.815 119.914 0.157 0.000 2.785 518 V HA 0.594 4.714 4.120 0.001 0.000 0.300 518 V C -0.689 175.448 176.094 0.072 0.000 1.062 518 V CA -0.165 62.223 62.300 0.148 0.000 1.029 518 V CB 1.595 33.456 31.823 0.064 0.000 1.024 518 V HN 0.300 nan 8.190 nan 0.000 0.477 519 L N 5.480 126.751 121.223 0.080 0.000 2.436 519 L HA 0.775 5.115 4.340 0.001 0.000 0.268 519 L C -0.280 176.665 176.870 0.125 0.000 0.974 519 L CA 0.155 55.058 54.840 0.105 0.000 0.826 519 L CB 2.210 44.349 42.059 0.134 0.000 1.291 519 L HN 0.881 nan 8.230 nan 0.000 0.406 520 T N 1.562 116.190 114.554 0.123 0.000 2.863 520 T HA 0.844 5.194 4.350 0.001 0.000 0.285 520 T C -0.946 173.874 174.700 0.199 0.000 1.009 520 T CA -0.482 61.660 62.100 0.070 0.000 0.989 520 T CB 1.535 70.408 68.868 0.009 0.000 1.004 520 T HN 0.695 nan 8.240 nan 0.000 0.455 521 Y N -0.191 120.145 120.300 0.061 0.000 2.565 521 Y HA 0.605 5.155 4.550 0.001 0.000 0.330 521 Y C -1.194 174.736 175.900 0.050 0.000 1.150 521 Y CA -1.663 56.468 58.100 0.051 0.000 1.055 521 Y CB 1.336 39.802 38.460 0.009 0.000 1.337 521 Y HN 0.658 nan 8.280 nan 0.000 0.457 522 M N 3.860 123.564 119.600 0.173 0.000 2.108 522 M HA 0.282 4.762 4.480 0.001 0.000 0.347 522 M C 0.426 176.810 176.300 0.141 0.000 1.326 522 M CA -0.115 55.179 55.300 -0.010 0.000 1.126 522 M CB 1.136 33.708 32.600 -0.046 0.000 1.606 522 M HN 0.875 nan 8.290 nan 0.000 0.462 523 S N 2.008 117.764 115.700 0.093 0.000 2.626 523 S HA 0.077 4.548 4.470 0.001 0.000 0.257 523 S C 1.102 175.772 174.600 0.117 0.000 1.288 523 S CA -0.057 58.253 58.200 0.183 0.000 0.980 523 S CB 0.794 64.065 63.200 0.119 0.000 0.975 523 S HN 0.796 nan 8.310 nan 0.000 0.577 524 E N 0.126 120.393 120.200 0.111 0.000 2.150 524 E HA -0.084 4.267 4.350 0.001 0.000 0.193 524 E C 1.567 178.136 176.600 -0.052 0.000 0.985 524 E CA 1.152 57.541 56.400 -0.019 0.000 0.814 524 E CB -0.101 29.542 29.700 -0.095 0.000 0.752 524 E HN 0.712 nan 8.360 nan 0.000 0.466 525 S N -0.597 115.086 115.700 -0.029 0.000 2.851 525 S HA 0.130 4.601 4.470 0.001 0.000 0.227 525 S C 1.331 175.910 174.600 -0.035 0.000 0.958 525 S CA 0.312 58.494 58.200 -0.029 0.000 0.990 525 S CB 0.014 63.211 63.200 -0.005 0.000 0.790 525 S HN 0.356 nan 8.310 nan 0.000 0.509 526 G N 0.521 109.288 108.800 -0.055 0.000 2.187 526 G HA2 -0.298 3.662 3.960 0.001 0.000 0.261 526 G HA3 -0.298 3.662 3.960 0.001 0.000 0.261 526 G C -0.196 174.609 174.900 -0.157 0.000 1.000 526 G CA 0.379 45.422 45.100 -0.095 0.000 0.718 526 G HN 0.651 nan 8.290 nan 0.000 0.519 527 E N 0.389 120.519 120.200 -0.117 0.000 2.289 527 E HA 0.282 4.633 4.350 0.001 0.000 0.278 527 E C -0.045 176.430 176.600 -0.209 0.000 1.032 527 E CA -0.612 55.726 56.400 -0.104 0.000 0.854 527 E CB 0.375 30.069 29.700 -0.011 0.000 1.046 527 E HN 0.401 nan 8.360 nan 0.000 0.409 528 H N 3.804 122.841 119.070 -0.055 0.000 2.489 528 H HA 0.277 4.834 4.556 0.001 0.000 0.322 528 H C -0.055 175.158 175.328 -0.191 0.000 1.091 528 H CA -0.241 55.742 56.048 -0.109 0.000 1.291 528 H CB 0.638 30.359 29.762 -0.068 0.000 1.436 528 H HN 0.319 nan 8.280 nan 0.000 0.480 529 I N 2.745 123.160 120.570 -0.258 0.000 2.740 529 I HA 0.302 4.473 4.170 0.001 0.000 0.303 529 I C -0.037 175.900 176.117 -0.299 0.000 1.044 529 I CA -1.026 60.042 61.300 -0.386 0.000 1.064 529 I CB 1.990 39.500 38.000 -0.817 0.000 1.249 529 I HN 0.175 nan 8.210 nan 0.000 0.433 530 V N 3.059 122.874 119.914 -0.166 0.000 2.462 530 V HA 0.683 4.804 4.120 0.001 0.000 0.288 530 V C -0.039 176.046 176.094 -0.014 0.000 1.020 530 V CA -0.528 61.726 62.300 -0.077 0.000 0.857 530 V CB 1.522 33.305 31.823 -0.067 0.000 1.013 530 V HN 0.938 nan 8.190 nan 0.000 0.431 531 A N 3.442 126.290 122.820 0.046 0.000 2.337 531 A HA 1.016 5.336 4.320 0.001 0.000 0.329 531 A C 0.218 177.869 177.584 0.111 0.000 1.146 531 A CA -0.003 52.088 52.037 0.091 0.000 0.800 531 A CB 1.771 20.859 19.000 0.147 0.000 1.220 531 A HN 1.095 nan 8.150 nan 0.000 0.472 532 G N -0.769 108.113 108.800 0.136 0.000 2.733 532 G HA2 0.475 4.435 3.960 0.001 0.000 0.288 532 G HA3 0.475 4.435 3.960 0.001 0.000 0.288 532 G C 0.409 175.417 174.900 0.181 0.000 1.373 532 G CA 0.271 45.538 45.100 0.278 0.000 0.895 532 G HN 0.569 nan 8.290 nan 0.000 0.479 533 T N -0.527 114.091 114.554 0.107 0.000 2.929 533 T HA 0.272 4.622 4.350 0.001 0.000 0.271 533 T C 1.098 175.846 174.700 0.081 0.000 1.085 533 T CA 1.536 63.620 62.100 -0.028 0.000 1.125 533 T CB -0.254 68.470 68.868 -0.239 0.000 0.874 533 T HN 1.197 nan 8.240 nan 0.000 0.494 534 G N -0.419 108.444 108.800 0.105 0.000 2.490 534 G HA2 0.394 4.354 3.960 0.001 0.000 0.308 534 G HA3 0.394 4.354 3.960 0.001 0.000 0.308 534 G C -0.144 174.742 174.900 -0.024 0.000 1.286 534 G CA -0.552 44.585 45.100 0.062 0.000 0.825 534 G HN 0.036 nan 8.290 nan 0.000 0.479 535 E N -0.825 119.269 120.200 -0.177 0.000 2.012 535 E HA -0.160 4.191 4.350 0.001 0.000 0.197 535 E C 2.483 178.991 176.600 -0.154 0.000 1.007 535 E CA 1.578 57.822 56.400 -0.259 0.000 0.816 535 E CB -0.121 29.302 29.700 -0.460 0.000 0.762 535 E HN 0.299 nan 8.360 nan 0.000 0.451 536 L N 0.774 121.895 121.223 -0.172 0.000 1.933 536 L HA -0.275 4.065 4.340 0.001 0.000 0.220 536 L C 2.441 179.222 176.870 -0.148 0.000 1.078 536 L CA 2.560 57.277 54.840 -0.205 0.000 0.773 536 L CB -0.861 41.015 42.059 -0.306 0.000 0.890 536 L HN 0.212 nan 8.230 nan 0.000 0.434 537 H N -1.027 117.940 119.070 -0.172 0.000 2.304 537 H HA -0.305 4.252 4.556 0.001 0.000 0.287 537 H C 1.971 177.273 175.328 -0.043 0.000 1.112 537 H CA 2.913 58.919 56.048 -0.070 0.000 1.200 537 H CB -0.531 29.220 29.762 -0.018 0.000 1.349 537 H HN 0.393 nan 8.280 nan 0.000 0.477 538 L N 0.395 121.592 121.223 -0.043 0.000 2.017 538 L HA -0.082 4.259 4.340 0.001 0.000 0.208 538 L C 2.397 179.199 176.870 -0.115 0.000 1.073 538 L CA 2.313 57.104 54.840 -0.082 0.000 0.745 538 L CB -0.960 41.097 42.059 -0.003 0.000 0.894 538 L HN 0.376 nan 8.230 nan 0.000 0.432 539 E N 0.182 120.318 120.200 -0.105 0.000 2.048 539 E HA -0.251 4.100 4.350 0.001 0.000 0.202 539 E C 2.082 178.607 176.600 -0.125 0.000 1.021 539 E CA 2.317 58.653 56.400 -0.108 0.000 0.825 539 E CB -0.422 29.204 29.700 -0.123 0.000 0.756 539 E HN 0.451 nan 8.360 nan 0.000 0.454 540 I N 0.748 121.234 120.570 -0.141 0.000 2.069 540 I HA -0.375 3.795 4.170 0.001 0.000 0.237 540 I C 2.664 178.717 176.117 -0.106 0.000 1.053 540 I CA 1.420 62.665 61.300 -0.093 0.000 1.311 540 I CB -1.904 36.100 38.000 0.007 0.000 1.030 540 I HN 0.283 nan 8.210 nan 0.000 0.398 541 C N 0.857 120.058 119.300 -0.165 0.000 2.392 541 C HA -0.191 4.269 4.460 0.001 0.000 0.276 541 C C 3.006 177.930 174.990 -0.111 0.000 1.212 541 C CA 0.608 59.536 59.018 -0.149 0.000 1.791 541 C CB -1.497 26.109 27.740 -0.222 0.000 2.063 541 C HN 0.481 nan 8.230 nan 0.000 0.481 542 L N 0.194 121.344 121.223 -0.121 0.000 2.005 542 L HA -0.215 4.126 4.340 0.001 0.000 0.207 542 L C 2.829 179.588 176.870 -0.184 0.000 1.072 542 L CA 1.684 56.453 54.840 -0.120 0.000 0.744 542 L CB -0.917 41.083 42.059 -0.099 0.000 0.895 542 L HN 0.451 nan 8.230 nan 0.000 0.433 543 Q N 0.417 120.069 119.800 -0.246 0.000 1.956 543 Q HA -0.279 4.062 4.340 0.001 0.000 0.208 543 Q C 1.789 177.474 176.000 -0.526 0.000 0.998 543 Q CA 2.230 57.714 55.803 -0.531 0.000 0.855 543 Q CB -0.535 28.011 28.738 -0.321 0.000 0.928 543 Q HN 0.444 nan 8.270 nan 0.000 0.418 544 D N 0.406 120.690 120.400 -0.194 0.000 2.254 544 D HA -0.193 4.447 4.640 0.001 0.000 0.201 544 D C 1.578 177.922 176.300 0.074 0.000 0.998 544 D CA 0.894 54.873 54.000 -0.035 0.000 0.885 544 D CB -0.140 40.689 40.800 0.049 0.000 0.915 544 D HN 0.092 nan 8.370 nan 0.000 0.460 545 L N 0.742 122.000 121.223 0.059 0.000 2.034 545 L HA -0.050 4.291 4.340 0.001 0.000 0.203 545 L C 1.982 178.876 176.870 0.040 0.000 1.074 545 L CA 1.543 56.453 54.840 0.117 0.000 0.748 545 L CB -0.663 41.396 42.059 -0.001 0.000 0.905 545 L HN 0.108 nan 8.230 nan 0.000 0.439 546 E N -2.309 117.863 120.200 -0.047 0.000 2.409 546 E HA -0.208 4.143 4.350 0.001 0.000 0.198 546 E C 1.410 178.124 176.600 0.191 0.000 1.024 546 E CA 1.477 57.894 56.400 0.028 0.000 0.861 546 E CB -0.417 29.287 29.700 0.006 0.000 0.788 546 E HN 0.722 nan 8.360 nan 0.000 0.521 547 H N -0.284 118.788 119.070 0.003 0.000 2.545 547 H HA 0.103 4.660 4.556 0.001 0.000 0.283 547 H C 0.914 176.218 175.328 -0.040 0.000 0.997 547 H CA 0.342 56.380 56.048 -0.015 0.000 1.269 547 H CB 0.567 30.319 29.762 -0.016 0.000 1.451 547 H HN 0.142 nan 8.280 nan 0.000 0.508 548 D N -0.437 119.996 120.400 0.054 0.000 3.061 548 D HA -0.010 4.631 4.640 0.001 0.000 0.243 548 D C 1.782 178.034 176.300 -0.080 0.000 1.572 548 D CA -0.031 53.921 54.000 -0.080 0.000 1.269 548 D CB -0.482 40.176 40.800 -0.238 0.000 1.023 548 D HN 0.238 nan 8.370 nan 0.000 0.280 549 H N 1.925 120.988 119.070 -0.012 0.000 2.337 549 H HA -0.120 4.437 4.556 0.001 0.000 0.288 549 H C 0.953 176.266 175.328 -0.024 0.000 1.117 549 H CA 1.434 57.468 56.048 -0.024 0.000 1.205 549 H CB -0.557 29.183 29.762 -0.036 0.000 1.353 549 H HN 0.138 nan 8.280 nan 0.000 0.480 550 A N 0.410 123.298 122.820 0.113 0.000 2.386 550 A HA 0.376 4.696 4.320 0.001 0.000 0.248 550 A C 1.743 179.344 177.584 0.029 0.000 1.082 550 A CA 0.318 52.383 52.037 0.047 0.000 0.789 550 A CB 0.305 19.324 19.000 0.031 0.000 1.025 550 A HN 0.431 nan 8.150 nan 0.000 0.490 551 G N -0.146 108.662 108.800 0.013 0.000 2.985 551 G HA2 0.407 4.367 3.960 0.001 0.000 0.209 551 G HA3 0.407 4.367 3.960 0.001 0.000 0.209 551 G C 0.180 175.087 174.900 0.010 0.000 1.165 551 G CA 0.958 46.063 45.100 0.009 0.000 0.776 551 G HN 0.914 nan 8.290 nan 0.000 0.541 552 V N -1.125 118.798 119.914 0.015 0.000 3.285 552 V HA 0.414 4.535 4.120 0.001 0.000 0.293 552 V C -2.428 173.684 176.094 0.030 0.000 1.563 552 V CA -1.551 60.760 62.300 0.018 0.000 1.058 552 V CB 2.279 34.108 31.823 0.010 0.000 1.142 552 V HN -0.032 nan 8.190 nan 0.000 0.470 553 P HA 0.508 nan 4.420 nan 0.000 0.273 553 P C -1.434 175.884 177.300 0.030 0.000 1.250 553 P CA 0.020 63.147 63.100 0.044 0.000 0.793 553 P CB 0.364 32.087 31.700 0.038 0.000 1.011 554 L N -0.052 121.191 121.223 0.033 0.000 2.409 554 L HA 0.590 4.931 4.340 0.001 0.000 0.255 554 L C -0.319 176.562 176.870 0.017 0.000 1.027 554 L CA -1.023 53.827 54.840 0.016 0.000 0.834 554 L CB 1.949 44.008 42.059 0.001 0.000 1.426 554 L HN 0.057 nan 8.230 nan 0.000 0.411 555 K N 1.959 122.367 120.400 0.012 0.000 2.450 555 K HA 0.616 4.936 4.320 0.001 0.000 0.257 555 K C -0.821 175.784 176.600 0.009 0.000 0.953 555 K CA -0.431 55.864 56.287 0.014 0.000 0.844 555 K CB 2.227 34.737 32.500 0.017 0.000 1.103 555 K HN 0.331 nan 8.250 nan 0.000 0.429 556 I N 0.430 121.005 120.570 0.008 0.000 4.200 556 I HA 0.402 4.572 4.170 0.001 0.000 0.243 556 I C 0.431 176.555 176.117 0.012 0.000 1.441 556 I CA -0.402 60.901 61.300 0.006 0.000 1.105 556 I CB 0.679 38.679 38.000 0.000 0.000 1.562 556 I HN 0.675 nan 8.210 nan 0.000 0.617 557 S N -1.435 114.273 115.700 0.014 0.000 2.558 557 S HA 0.596 5.066 4.470 0.001 0.000 0.277 557 S C -2.989 171.628 174.600 0.028 0.000 1.143 557 S CA -1.259 56.952 58.200 0.018 0.000 0.865 557 S CB 0.672 63.878 63.200 0.010 0.000 1.102 557 S HN 0.262 nan 8.310 nan 0.000 0.454 558 P HA 0.052 nan 4.420 nan 0.000 0.273 558 P C -2.470 174.876 177.300 0.077 0.000 1.193 558 P CA -0.147 62.987 63.100 0.057 0.000 0.777 558 P CB -0.302 31.422 31.700 0.041 0.000 0.803 559 P HA 0.092 nan 4.420 nan 0.000 0.281 559 P C -1.038 176.362 177.300 0.168 0.000 1.252 559 P CA 0.257 63.474 63.100 0.195 0.000 0.778 559 P CB 0.675 32.608 31.700 0.389 0.000 0.895 560 V N 4.485 124.487 119.914 0.147 0.000 2.555 560 V HA 0.231 4.351 4.120 0.001 0.000 0.302 560 V C 0.484 176.665 176.094 0.145 0.000 1.038 560 V CA -0.903 61.476 62.300 0.132 0.000 0.887 560 V CB 2.310 34.200 31.823 0.111 0.000 0.991 560 V HN 0.293 nan 8.190 nan 0.000 0.434 561 V N 3.515 123.499 119.914 0.117 0.000 2.546 561 V HA 0.588 4.709 4.120 0.001 0.000 0.284 561 V C 0.689 176.751 176.094 -0.052 0.000 1.050 561 V CA -0.326 61.969 62.300 -0.008 0.000 0.981 561 V CB 1.566 33.284 31.823 -0.174 0.000 0.990 561 V HN 1.020 nan 8.190 nan 0.000 0.474 562 A N 4.859 127.652 122.820 -0.045 0.000 2.328 562 A HA 0.680 5.000 4.320 0.001 0.000 0.284 562 A C -0.864 176.743 177.584 0.038 0.000 1.160 562 A CA -0.144 51.930 52.037 0.062 0.000 0.818 562 A CB 0.060 19.128 19.000 0.113 0.000 1.087 562 A HN 0.725 nan 8.150 nan 0.000 0.504 563 Y N 0.929 121.355 120.300 0.210 0.000 2.699 563 Y HA 0.770 5.320 4.550 0.001 0.000 0.326 563 Y C 0.550 176.430 175.900 -0.034 0.000 1.141 563 Y CA -0.575 57.673 58.100 0.247 0.000 1.246 563 Y CB 1.311 39.984 38.460 0.355 0.000 1.426 563 Y HN 0.643 nan 8.280 nan 0.000 0.559 564 R N 0.318 120.883 120.500 0.108 0.000 2.673 564 R HA 0.342 4.683 4.340 0.001 0.000 0.281 564 R C -1.720 174.581 176.300 0.002 0.000 0.991 564 R CA -0.893 55.092 56.100 -0.191 0.000 0.896 564 R CB 1.578 31.516 30.300 -0.603 0.000 1.201 564 R HN 0.581 nan 8.270 nan 0.000 0.457 565 E N 0.938 121.117 120.200 -0.034 0.000 2.134 565 E HA 0.411 4.762 4.350 0.001 0.000 0.278 565 E C -0.570 176.170 176.600 0.232 0.000 0.959 565 E CA -0.346 56.129 56.400 0.126 0.000 0.783 565 E CB 2.015 31.693 29.700 -0.036 0.000 1.095 565 E HN 0.412 nan 8.360 nan 0.000 0.399 566 T N 0.970 115.715 114.554 0.319 0.000 2.812 566 T HA 0.559 4.910 4.350 0.001 0.000 0.294 566 T C -1.246 173.452 174.700 -0.002 0.000 1.159 566 T CA -0.686 61.550 62.100 0.226 0.000 1.008 566 T CB 1.454 70.368 68.868 0.076 0.000 1.289 566 T HN 0.259 nan 8.240 nan 0.000 0.514 567 V N 0.797 120.637 119.914 -0.124 0.000 2.815 567 V HA 0.798 4.918 4.120 0.001 0.000 0.314 567 V C 0.452 176.467 176.094 -0.132 0.000 1.064 567 V CA -0.590 61.540 62.300 -0.282 0.000 0.952 567 V CB 1.681 33.279 31.823 -0.375 0.000 1.020 567 V HN 0.927 nan 8.190 nan 0.000 0.439 568 E N 1.365 121.485 120.200 -0.134 0.000 2.447 568 E HA 0.279 4.629 4.350 0.001 0.000 0.204 568 E C 0.635 177.193 176.600 -0.070 0.000 0.977 568 E CA 0.854 57.209 56.400 -0.076 0.000 0.950 568 E CB 0.537 30.199 29.700 -0.063 0.000 0.975 568 E HN 1.117 nan 8.360 nan 0.000 0.496 569 S N -1.866 113.776 115.700 -0.096 0.000 2.790 569 S HA 0.357 4.828 4.470 0.001 0.000 0.292 569 S C -0.567 173.976 174.600 -0.095 0.000 1.197 569 S CA -1.083 57.068 58.200 -0.083 0.000 0.851 569 S CB 1.188 64.341 63.200 -0.078 0.000 1.217 569 S HN 0.060 nan 8.310 nan 0.000 0.526 570 E N 0.599 120.748 120.200 -0.085 0.000 2.349 570 E HA 0.445 4.796 4.350 0.001 0.000 0.262 570 E C -0.636 175.903 176.600 -0.101 0.000 1.088 570 E CA -0.526 55.822 56.400 -0.085 0.000 0.899 570 E CB 0.829 30.482 29.700 -0.078 0.000 1.044 570 E HN 0.587 nan 8.360 nan 0.000 0.420 571 S N 1.830 117.471 115.700 -0.098 0.000 2.546 571 S HA -0.046 4.425 4.470 0.001 0.000 0.290 571 S C 1.163 175.678 174.600 -0.142 0.000 1.290 571 S CA -0.174 57.951 58.200 -0.124 0.000 1.069 571 S CB 1.074 64.216 63.200 -0.096 0.000 0.846 571 S HN 0.571 nan 8.310 nan 0.000 0.495 572 S N 2.523 118.110 115.700 -0.189 0.000 2.381 572 S HA -0.209 4.262 4.470 0.001 0.000 0.230 572 S C 0.866 175.364 174.600 -0.170 0.000 1.052 572 S CA 1.600 59.689 58.200 -0.185 0.000 1.068 572 S CB -0.321 62.730 63.200 -0.249 0.000 0.918 572 S HN 0.921 nan 8.310 nan 0.000 0.448 573 Q N -1.013 118.660 119.800 -0.212 0.000 2.511 573 Q HA 0.501 4.842 4.340 0.001 0.000 0.289 573 Q C -1.406 174.539 176.000 -0.092 0.000 1.021 573 Q CA -0.919 54.796 55.803 -0.146 0.000 0.785 573 Q CB 0.845 29.479 28.738 -0.174 0.000 1.472 573 Q HN -0.093 nan 8.270 nan 0.000 0.411 574 T N 1.362 115.920 114.554 0.006 0.000 2.908 574 T HA 0.338 4.688 4.350 0.001 0.000 0.301 574 T C -0.160 174.667 174.700 0.212 0.000 1.019 574 T CA 0.550 62.708 62.100 0.096 0.000 1.152 574 T CB 0.290 69.250 68.868 0.154 0.000 0.966 574 T HN 0.584 nan 8.240 nan 0.000 0.540 575 A N 3.340 126.277 122.820 0.195 0.000 2.301 575 A HA 0.742 5.063 4.320 0.001 0.000 0.312 575 A C -0.519 177.127 177.584 0.102 0.000 1.182 575 A CA -0.713 51.496 52.037 0.287 0.000 0.826 575 A CB 0.504 19.634 19.000 0.216 0.000 1.134 575 A HN 0.770 nan 8.150 nan 0.000 0.501 576 L N 1.489 122.606 121.223 -0.177 0.000 2.409 576 L HA 0.876 5.217 4.340 0.001 0.000 0.262 576 L C -0.605 175.925 176.870 -0.567 0.000 0.992 576 L CA 0.200 54.715 54.840 -0.542 0.000 0.817 576 L CB 2.386 43.992 42.059 -0.753 0.000 1.350 576 L HN 0.576 nan 8.230 nan 0.000 0.411 577 S N 1.849 117.303 115.700 -0.410 0.000 2.550 577 S HA 0.714 5.184 4.470 0.001 0.000 0.270 577 S C -1.770 172.694 174.600 -0.227 0.000 1.145 577 S CA -0.956 57.093 58.200 -0.252 0.000 0.852 577 S CB 1.948 65.089 63.200 -0.098 0.000 1.119 577 S HN 0.762 nan 8.310 nan 0.000 0.465 578 K N -0.271 120.036 120.400 -0.156 0.000 2.385 578 K HA 0.742 5.062 4.320 0.001 0.000 0.248 578 K C -0.081 176.487 176.600 -0.052 0.000 0.955 578 K CA -0.755 55.467 56.287 -0.108 0.000 0.816 578 K CB 1.476 33.908 32.500 -0.112 0.000 1.250 578 K HN 0.576 nan 8.250 nan 0.000 0.434 579 S N 0.792 116.479 115.700 -0.021 0.000 2.580 579 S HA 0.052 4.523 4.470 0.001 0.000 0.261 579 S C -1.746 172.858 174.600 0.006 0.000 1.366 579 S CA -0.742 57.459 58.200 0.002 0.000 0.996 579 S CB 0.157 63.374 63.200 0.028 0.000 0.902 579 S HN 0.538 nan 8.310 nan 0.000 0.566 580 P HA -0.061 nan 4.420 nan 0.000 0.216 580 P C 1.218 178.541 177.300 0.039 0.000 1.153 580 P CA 0.956 64.063 63.100 0.012 0.000 0.848 580 P CB -0.123 31.579 31.700 0.004 0.000 0.787 581 N N 0.114 118.861 118.700 0.078 0.000 2.096 581 N HA -0.197 4.544 4.740 0.001 0.000 0.195 581 N C 0.592 176.212 175.510 0.184 0.000 1.017 581 N CA 1.343 54.510 53.050 0.194 0.000 0.870 581 N CB -0.418 38.232 38.487 0.272 0.000 1.024 581 N HN 0.202 nan 8.380 nan 0.000 0.434 582 K N -1.919 118.515 120.400 0.056 0.000 3.399 582 K HA -0.157 4.164 4.320 0.001 0.000 0.298 582 K C -0.176 176.297 176.600 -0.212 0.000 1.326 582 K CA 0.515 56.757 56.287 -0.076 0.000 0.874 582 K CB -1.674 30.760 32.500 -0.110 0.000 1.403 582 K HN 0.510 nan 8.250 nan 0.000 0.492 583 H N -0.526 118.573 119.070 0.048 0.000 2.874 583 H HA 0.149 4.706 4.556 0.001 0.000 0.264 583 H C 0.000 175.373 175.328 0.074 0.000 1.007 583 H CA 0.160 56.259 56.048 0.085 0.000 1.207 583 H CB 0.594 30.476 29.762 0.201 0.000 1.487 583 H HN 0.290 nan 8.280 nan 0.000 0.505 584 N N 0.979 119.758 118.700 0.132 0.000 2.296 584 N HA 0.432 5.173 4.740 0.001 0.000 0.294 584 N C -0.789 174.733 175.510 0.020 0.000 1.033 584 N CA -0.530 52.575 53.050 0.092 0.000 0.839 584 N CB 2.144 40.686 38.487 0.091 0.000 1.395 584 N HN -0.024 nan 8.380 nan 0.000 0.479 585 R N 1.371 121.882 120.500 0.017 0.000 2.807 585 R HA 0.645 4.985 4.340 0.001 0.000 0.276 585 R C -0.956 175.311 176.300 -0.055 0.000 0.979 585 R CA -0.675 55.372 56.100 -0.089 0.000 0.928 585 R CB 2.121 32.336 30.300 -0.143 0.000 1.191 585 R HN 0.428 nan 8.270 nan 0.000 0.471 586 I N 2.266 122.727 120.570 -0.182 0.000 2.499 586 I HA 0.331 4.502 4.170 0.001 0.000 0.288 586 I C -1.276 174.733 176.117 -0.179 0.000 1.048 586 I CA -0.754 60.508 61.300 -0.064 0.000 1.062 586 I CB 1.681 39.666 38.000 -0.025 0.000 1.238 586 I HN 0.506 nan 8.210 nan 0.000 0.426 587 Y N 7.037 127.317 120.300 -0.033 0.000 2.341 587 Y HA 0.678 5.228 4.550 0.001 0.000 0.338 587 Y C -0.272 175.609 175.900 -0.032 0.000 0.965 587 Y CA -0.943 57.139 58.100 -0.029 0.000 1.108 587 Y CB 1.762 40.205 38.460 -0.028 0.000 1.180 587 Y HN 0.391 nan 8.280 nan 0.000 0.458 588 L N 0.280 121.576 121.223 0.121 0.000 2.600 588 L HA 0.791 5.132 4.340 0.001 0.000 0.257 588 L C -1.617 175.287 176.870 0.056 0.000 1.048 588 L CA -1.399 53.477 54.840 0.058 0.000 0.869 588 L CB 2.316 44.393 42.059 0.030 0.000 1.482 588 L HN 0.440 nan 8.230 nan 0.000 0.408 589 K N 0.246 120.658 120.400 0.020 0.000 2.502 589 K HA 0.918 5.238 4.320 0.001 0.000 0.257 589 K C -1.622 174.981 176.600 0.005 0.000 0.938 589 K CA -0.545 55.747 56.287 0.008 0.000 0.819 589 K CB 2.387 34.876 32.500 -0.018 0.000 1.333 589 K HN 1.095 nan 8.250 nan 0.000 0.434 590 A N 2.569 125.394 122.820 0.009 0.000 2.350 590 A HA 0.607 4.927 4.320 0.001 0.000 0.324 590 A C -1.169 176.402 177.584 -0.022 0.000 1.118 590 A CA -0.557 51.494 52.037 0.023 0.000 0.783 590 A CB 0.916 19.964 19.000 0.081 0.000 1.236 590 A HN 0.825 nan 8.150 nan 0.000 0.457 591 E N 1.417 121.609 120.200 -0.014 0.000 2.429 591 E HA 0.662 5.013 4.350 0.001 0.000 0.276 591 E C -3.108 173.489 176.600 -0.004 0.000 0.953 591 E CA -2.304 54.074 56.400 -0.037 0.000 0.787 591 E CB 1.682 31.345 29.700 -0.061 0.000 1.307 591 E HN 0.268 nan 8.360 nan 0.000 0.458 592 P HA 0.139 nan 4.420 nan 0.000 0.272 592 P C -0.622 176.715 177.300 0.062 0.000 1.223 592 P CA -0.119 62.993 63.100 0.020 0.000 0.784 592 P CB 0.453 32.154 31.700 0.001 0.000 0.923 593 I N 2.064 122.691 120.570 0.095 0.000 2.441 593 I HA 0.216 4.387 4.170 0.001 0.000 0.295 593 I C 0.295 176.489 176.117 0.127 0.000 0.994 593 I CA -0.581 60.810 61.300 0.151 0.000 1.144 593 I CB 1.238 39.328 38.000 0.150 0.000 1.314 593 I HN 0.202 nan 8.210 nan 0.000 0.445 594 D N 5.755 126.250 120.400 0.159 0.000 2.425 594 D HA -0.008 4.633 4.640 0.001 0.000 0.247 594 D C 1.181 177.551 176.300 0.117 0.000 1.147 594 D CA -0.130 53.951 54.000 0.135 0.000 0.879 594 D CB 1.618 42.519 40.800 0.168 0.000 1.179 594 D HN 0.435 nan 8.370 nan 0.000 0.456 595 E N 2.200 122.464 120.200 0.106 0.000 2.169 595 E HA -0.254 4.097 4.350 0.001 0.000 0.202 595 E C 1.414 178.078 176.600 0.106 0.000 1.016 595 E CA 1.347 57.811 56.400 0.108 0.000 0.817 595 E CB 0.202 29.970 29.700 0.113 0.000 0.736 595 E HN 0.563 nan 8.360 nan 0.000 0.462 596 E N -0.264 120.009 120.200 0.122 0.000 2.058 596 E HA -0.170 4.181 4.350 0.001 0.000 0.194 596 E C 2.220 178.839 176.600 0.031 0.000 0.997 596 E CA 1.666 58.152 56.400 0.142 0.000 0.801 596 E CB -0.019 29.830 29.700 0.247 0.000 0.746 596 E HN 0.155 nan 8.360 nan 0.000 0.450 597 V N 0.825 120.721 119.914 -0.029 0.000 2.427 597 V HA -0.205 3.916 4.120 0.001 0.000 0.248 597 V C 2.314 178.339 176.094 -0.116 0.000 1.051 597 V CA 1.598 63.760 62.300 -0.231 0.000 1.048 597 V CB -0.507 31.236 31.823 -0.134 0.000 0.666 597 V HN 0.134 nan 8.190 nan 0.000 0.456 598 S N 0.664 116.364 115.700 -0.000 0.000 2.351 598 S HA -0.157 4.313 4.470 0.001 0.000 0.220 598 S C 1.943 176.573 174.600 0.049 0.000 1.035 598 S CA 1.580 59.804 58.200 0.041 0.000 1.031 598 S CB -0.454 62.790 63.200 0.073 0.000 0.928 598 S HN 0.349 nan 8.310 nan 0.000 0.433 599 L N 1.829 123.093 121.223 0.069 0.000 2.013 599 L HA -0.126 4.214 4.340 0.001 0.000 0.212 599 L C 2.691 179.587 176.870 0.043 0.000 1.073 599 L CA 1.877 56.770 54.840 0.088 0.000 0.753 599 L CB -1.657 40.463 42.059 0.103 0.000 0.890 599 L HN 0.322 nan 8.230 nan 0.000 0.432 600 A N -0.518 122.286 122.820 -0.027 0.000 1.917 600 A HA -0.232 4.089 4.320 0.001 0.000 0.219 600 A C 2.355 179.904 177.584 -0.059 0.000 1.182 600 A CA 2.138 54.121 52.037 -0.089 0.000 0.633 600 A CB -0.767 17.997 19.000 -0.393 0.000 0.819 600 A HN 0.426 nan 8.150 nan 0.000 0.448 601 I N -1.017 119.526 120.570 -0.044 0.000 2.286 601 I HA -0.214 3.956 4.170 0.001 0.000 0.245 601 I C 2.477 178.603 176.117 0.015 0.000 1.104 601 I CA 1.494 62.801 61.300 0.011 0.000 1.397 601 I CB -0.452 37.607 38.000 0.099 0.000 1.072 601 I HN 0.413 nan 8.210 nan 0.000 0.417 602 E N 0.819 121.047 120.200 0.047 0.000 2.150 602 E HA -0.138 4.212 4.350 0.001 0.000 0.193 602 E C 0.875 177.514 176.600 0.064 0.000 0.985 602 E CA 0.776 57.217 56.400 0.069 0.000 0.814 602 E CB 0.021 29.795 29.700 0.122 0.000 0.752 602 E HN 0.420 nan 8.360 nan 0.000 0.466 603 N N -0.174 118.563 118.700 0.061 0.000 2.378 603 N HA 0.057 4.797 4.740 0.001 0.000 0.243 603 N C 0.605 176.147 175.510 0.054 0.000 1.137 603 N CA 0.706 53.798 53.050 0.069 0.000 0.862 603 N CB 1.108 39.642 38.487 0.078 0.000 1.116 603 N HN 0.244 nan 8.380 nan 0.000 0.499 604 G N 0.958 109.775 108.800 0.028 0.000 2.238 604 G HA2 -0.334 3.627 3.960 0.001 0.000 0.270 604 G HA3 -0.334 3.627 3.960 0.001 0.000 0.270 604 G C 1.175 176.078 174.900 0.005 0.000 0.977 604 G CA 0.511 45.620 45.100 0.014 0.000 0.639 604 G HN 0.354 nan 8.290 nan 0.000 0.544 605 I N 0.849 121.427 120.570 0.014 0.000 2.099 605 I HA -0.051 4.119 4.170 0.001 0.000 0.239 605 I C 1.730 177.850 176.117 0.004 0.000 1.066 605 I CA 1.135 62.452 61.300 0.027 0.000 1.324 605 I CB -1.074 36.965 38.000 0.064 0.000 1.037 605 I HN 0.130 nan 8.210 nan 0.000 0.401 606 I N 3.151 123.698 120.570 -0.038 0.000 2.308 606 I HA 0.113 4.284 4.170 0.001 0.000 0.293 606 I C 0.249 176.333 176.117 -0.055 0.000 1.078 606 I CA 0.146 61.428 61.300 -0.029 0.000 1.292 606 I CB -0.467 37.501 38.000 -0.055 0.000 1.423 606 I HN 0.236 nan 8.210 nan 0.000 0.493 607 N N 8.794 127.454 118.700 -0.067 0.000 2.392 607 N HA 0.325 5.066 4.740 0.001 0.000 0.283 607 N C -2.020 173.332 175.510 -0.263 0.000 1.003 607 N CA -1.738 51.201 53.050 -0.185 0.000 0.892 607 N CB 2.903 41.339 38.487 -0.085 0.000 1.193 607 N HN 0.098 nan 8.380 nan 0.000 0.487 608 P HA -0.100 nan 4.420 nan 0.000 0.216 608 P C 0.622 177.853 177.300 -0.114 0.000 1.154 608 P CA 1.588 64.368 63.100 -0.534 0.000 0.865 608 P CB 0.334 31.660 31.700 -0.624 0.000 0.789 609 R N -1.368 119.071 120.500 -0.103 0.000 2.307 609 R HA 0.038 4.378 4.340 0.001 0.000 0.199 609 R C 0.493 176.806 176.300 0.021 0.000 1.000 609 R CA 0.144 56.231 56.100 -0.021 0.000 1.023 609 R CB -0.563 29.723 30.300 -0.024 0.000 0.908 609 R HN 0.293 nan 8.270 nan 0.000 0.473 610 D N 1.199 121.613 120.400 0.023 0.000 2.352 610 D HA -0.074 4.566 4.640 0.001 0.000 0.238 610 D C -0.195 176.160 176.300 0.092 0.000 1.286 610 D CA 0.196 54.225 54.000 0.048 0.000 0.923 610 D CB 0.279 41.106 40.800 0.045 0.000 1.146 610 D HN -0.008 nan 8.370 nan 0.000 0.471 611 D N -0.923 119.521 120.400 0.074 0.000 2.312 611 D HA 0.047 4.687 4.640 0.001 0.000 0.252 611 D C 1.154 177.515 176.300 0.102 0.000 1.150 611 D CA -0.471 53.583 54.000 0.090 0.000 0.870 611 D CB 0.198 40.994 40.800 -0.007 0.000 1.153 611 D HN 0.346 nan 8.370 nan 0.000 0.457 612 F N 3.043 123.025 119.950 0.052 0.000 2.154 612 F HA -0.167 4.360 4.527 0.001 0.000 0.301 612 F C 1.623 177.458 175.800 0.058 0.000 1.087 612 F CA 0.789 58.828 58.000 0.066 0.000 1.274 612 F CB -0.403 38.641 39.000 0.072 0.000 1.009 612 F HN 0.232 nan 8.300 nan 0.000 0.485 613 K N 1.226 121.155 120.400 -0.786 0.000 2.001 613 K HA -0.040 4.280 4.320 0.001 0.000 0.208 613 K C 2.589 179.069 176.600 -0.200 0.000 1.048 613 K CA 1.203 57.160 56.287 -0.551 0.000 0.932 613 K CB -0.701 31.409 32.500 -0.650 0.000 0.715 613 K HN 0.376 nan 8.250 nan 0.000 0.437 614 A N 2.007 124.737 122.820 -0.151 0.000 1.865 614 A HA -0.237 4.083 4.320 0.001 0.000 0.217 614 A C 2.180 179.756 177.584 -0.014 0.000 1.191 614 A CA 1.820 53.821 52.037 -0.061 0.000 0.623 614 A CB -0.656 18.320 19.000 -0.041 0.000 0.826 614 A HN 0.280 nan 8.150 nan 0.000 0.444 615 R N -0.423 120.082 120.500 0.008 0.000 2.117 615 R HA -0.154 4.187 4.340 0.001 0.000 0.243 615 R C 2.243 178.565 176.300 0.036 0.000 1.143 615 R CA 1.542 57.666 56.100 0.040 0.000 0.968 615 R CB -0.409 29.941 30.300 0.083 0.000 0.863 615 R HN 0.478 nan 8.270 nan 0.000 0.444 616 A N 0.852 123.695 122.820 0.038 0.000 1.855 616 A HA -0.173 4.147 4.320 0.001 0.000 0.215 616 A C 2.154 179.776 177.584 0.064 0.000 1.191 616 A CA 1.433 53.507 52.037 0.062 0.000 0.613 616 A CB -0.515 18.528 19.000 0.073 0.000 0.829 616 A HN 0.272 nan 8.150 nan 0.000 0.442 617 R N 0.222 120.740 120.500 0.031 0.000 2.103 617 R HA -0.104 4.237 4.340 0.001 0.000 0.242 617 R C 1.821 178.153 176.300 0.054 0.000 1.142 617 R CA 1.924 58.043 56.100 0.031 0.000 0.960 617 R CB -0.778 29.522 30.300 0.001 0.000 0.858 617 R HN 0.626 nan 8.270 nan 0.000 0.439 618 I N -0.418 120.189 120.570 0.061 0.000 2.142 618 I HA -0.329 3.842 4.170 0.001 0.000 0.240 618 I C 2.367 178.594 176.117 0.183 0.000 1.078 618 I CA 1.657 63.019 61.300 0.102 0.000 1.343 618 I CB -0.285 37.786 38.000 0.118 0.000 1.046 618 I HN 0.221 nan 8.210 nan 0.000 0.405 619 M N 0.275 119.972 119.600 0.161 0.000 2.149 619 M HA -0.211 4.269 4.480 0.001 0.000 0.261 619 M C 2.516 178.979 176.300 0.271 0.000 1.064 619 M CA 1.915 57.326 55.300 0.185 0.000 1.102 619 M CB -0.497 32.012 32.600 -0.152 0.000 1.369 619 M HN 0.362 nan 8.290 nan 0.000 0.408 620 A N 0.816 123.761 122.820 0.208 0.000 1.835 620 A HA -0.197 4.123 4.320 0.001 0.000 0.215 620 A C 1.666 179.334 177.584 0.140 0.000 1.199 620 A CA 2.131 54.288 52.037 0.200 0.000 0.615 620 A CB -0.867 18.215 19.000 0.135 0.000 0.838 620 A HN 0.371 nan 8.150 nan 0.000 0.444 621 D N 0.539 120.987 120.400 0.079 0.000 2.119 621 D HA -0.124 4.516 4.640 0.001 0.000 0.199 621 D C 1.318 177.590 176.300 -0.047 0.000 0.987 621 D CA 1.577 55.588 54.000 0.017 0.000 0.858 621 D CB -0.710 40.089 40.800 -0.001 0.000 1.008 621 D HN 0.421 nan 8.370 nan 0.000 0.450 622 D N -0.953 119.359 120.400 -0.146 0.000 2.350 622 D HA -0.111 4.530 4.640 0.001 0.000 0.216 622 D C 0.777 176.633 176.300 -0.741 0.000 0.968 622 D CA 0.692 54.415 54.000 -0.462 0.000 0.894 622 D CB 0.016 40.417 40.800 -0.666 0.000 0.909 622 D HN 0.408 nan 8.370 nan 0.000 0.520 623 Y N -0.687 119.665 120.300 0.088 0.000 2.672 623 Y HA 0.327 4.878 4.550 0.001 0.000 0.252 623 Y C 1.218 177.258 175.900 0.233 0.000 1.132 623 Y CA -0.525 57.658 58.100 0.140 0.000 1.228 623 Y CB 0.664 39.185 38.460 0.102 0.000 1.310 623 Y HN -0.110 nan 8.280 nan 0.000 0.549 624 G N 0.819 109.772 108.800 0.256 0.000 2.363 624 G HA2 -0.295 3.665 3.960 0.001 0.000 0.286 624 G HA3 -0.295 3.665 3.960 0.001 0.000 0.286 624 G C -0.689 174.384 174.900 0.288 0.000 0.975 624 G CA -0.055 45.172 45.100 0.212 0.000 1.309 624 G HN 0.323 nan 8.290 nan 0.000 0.491 625 W N 0.025 121.370 121.300 0.076 0.000 2.864 625 W HA 0.541 5.201 4.660 0.001 0.000 0.343 625 W C -0.272 176.272 176.519 0.041 0.000 1.109 625 W CA -0.907 56.474 57.345 0.060 0.000 1.192 625 W CB 1.443 30.950 29.460 0.079 0.000 1.426 625 W HN 0.201 nan 8.180 nan 0.000 0.529 626 D N 1.835 122.289 120.400 0.090 0.000 2.339 626 D HA 0.004 4.644 4.640 0.001 0.000 0.256 626 D C 1.217 177.617 176.300 0.167 0.000 1.214 626 D CA 0.245 54.290 54.000 0.074 0.000 0.877 626 D CB 1.804 42.592 40.800 -0.019 0.000 1.111 626 D HN 0.210 nan 8.370 nan 0.000 0.478 627 V N 3.542 123.542 119.914 0.144 0.000 2.660 627 V HA -0.283 3.838 4.120 0.001 0.000 0.257 627 V C 1.873 178.054 176.094 0.144 0.000 1.088 627 V CA 2.098 64.486 62.300 0.147 0.000 1.106 627 V CB -0.195 31.685 31.823 0.096 0.000 0.686 627 V HN 0.633 nan 8.190 nan 0.000 0.481 628 T N -0.315 114.305 114.554 0.111 0.000 2.612 628 T HA -0.161 4.189 4.350 0.001 0.000 0.259 628 T C 1.599 176.372 174.700 0.121 0.000 1.065 628 T CA 1.627 63.783 62.100 0.094 0.000 1.167 628 T CB -0.433 68.464 68.868 0.048 0.000 0.863 628 T HN 0.544 nan 8.240 nan 0.000 0.407 629 D N 1.480 121.943 120.400 0.106 0.000 2.127 629 D HA -0.153 4.487 4.640 0.001 0.000 0.190 629 D C 2.344 178.816 176.300 0.287 0.000 1.000 629 D CA 1.638 55.718 54.000 0.134 0.000 0.839 629 D CB -0.647 40.164 40.800 0.018 0.000 0.955 629 D HN 0.393 nan 8.370 nan 0.000 0.446 630 A N 0.840 123.924 122.820 0.440 0.000 1.986 630 A HA -0.210 4.110 4.320 0.001 0.000 0.220 630 A C 2.089 179.812 177.584 0.231 0.000 1.171 630 A CA 1.418 53.661 52.037 0.343 0.000 0.640 630 A CB -0.529 18.642 19.000 0.286 0.000 0.811 630 A HN 0.196 nan 8.150 nan 0.000 0.451 631 R N -0.782 119.864 120.500 0.243 0.000 2.323 631 R HA 0.047 4.388 4.340 0.001 0.000 0.198 631 R C 0.503 176.968 176.300 0.274 0.000 0.988 631 R CA 0.568 56.862 56.100 0.324 0.000 1.041 631 R CB 0.100 30.590 30.300 0.317 0.000 0.926 631 R HN 0.211 nan 8.270 nan 0.000 0.476 632 K N 0.768 121.286 120.400 0.196 0.000 2.498 632 K HA 0.231 4.552 4.320 0.001 0.000 0.207 632 K C 0.053 176.746 176.600 0.155 0.000 1.033 632 K CA -0.050 56.327 56.287 0.150 0.000 1.138 632 K CB 0.580 33.117 32.500 0.060 0.000 0.860 632 K HN 0.144 nan 8.250 nan 0.000 0.490 633 I N 0.678 121.342 120.570 0.156 0.000 2.618 633 I HA -0.109 4.062 4.170 0.001 0.000 0.284 633 I C 0.893 177.154 176.117 0.240 0.000 1.146 633 I CA -0.031 61.324 61.300 0.091 0.000 1.425 633 I CB 0.428 38.407 38.000 -0.035 0.000 1.383 633 I HN 0.133 nan 8.210 nan 0.000 0.562 634 W N 6.013 127.246 121.300 -0.110 0.000 2.683 634 W HA 0.162 4.823 4.660 0.001 0.000 0.267 634 W C 0.642 177.136 176.519 -0.043 0.000 1.243 634 W CA -0.262 57.035 57.345 -0.081 0.000 1.380 634 W CB 0.083 29.480 29.460 -0.104 0.000 1.063 634 W HN 0.698 nan 8.180 nan 0.000 0.599 635 C N -3.320 116.056 119.300 0.127 0.000 3.197 635 C HA 0.573 5.034 4.460 0.001 0.000 0.343 635 C C -0.548 174.531 174.990 0.148 0.000 1.291 635 C CA -1.886 57.241 59.018 0.181 0.000 1.191 635 C CB 0.141 28.000 27.740 0.198 0.000 1.444 635 C HN -0.057 nan 8.230 nan 0.000 0.468 636 F N 0.893 120.931 119.950 0.147 0.000 2.525 636 F HA 0.910 5.438 4.527 0.001 0.000 0.346 636 F C 1.130 177.075 175.800 0.243 0.000 1.072 636 F CA 0.590 58.698 58.000 0.180 0.000 1.033 636 F CB 2.297 41.342 39.000 0.076 0.000 1.324 636 F HN 1.233 nan 8.300 nan 0.000 0.491 637 G N 0.484 109.513 108.800 0.381 0.000 2.556 637 G HA2 0.512 4.473 3.960 0.001 0.000 0.294 637 G HA3 0.512 4.473 3.960 0.001 0.000 0.294 637 G C -3.426 171.449 174.900 -0.042 0.000 1.516 637 G CA -1.080 44.074 45.100 0.090 0.000 0.824 637 G HN 0.198 nan 8.290 nan 0.000 0.535 638 P HA 0.327 nan 4.420 nan 0.000 0.289 638 P C -0.394 176.817 177.300 -0.148 0.000 1.299 638 P CA -0.140 62.836 63.100 -0.206 0.000 0.766 638 P CB 0.502 32.035 31.700 -0.278 0.000 1.226 639 D N -1.627 118.653 120.400 -0.200 0.000 2.882 639 D HA -0.199 4.441 4.640 0.001 0.000 0.229 639 D C 0.977 177.221 176.300 -0.094 0.000 1.167 639 D CA 1.668 55.569 54.000 -0.166 0.000 0.759 639 D CB -1.805 38.895 40.800 -0.167 0.000 1.088 639 D HN 0.855 nan 8.370 nan 0.000 0.425 640 G N 1.037 109.812 108.800 -0.041 0.000 2.175 640 G HA2 -0.392 3.569 3.960 0.001 0.000 0.265 640 G HA3 -0.392 3.569 3.960 0.001 0.000 0.265 640 G C 0.578 175.494 174.900 0.027 0.000 0.979 640 G CA 1.260 46.376 45.100 0.027 0.000 0.663 640 G HN 0.732 nan 8.290 nan 0.000 0.533 641 N N -1.226 117.474 118.700 0.001 0.000 1.997 641 N HA 0.337 5.077 4.740 0.001 0.000 0.225 641 N C 0.912 176.424 175.510 0.003 0.000 1.383 641 N CA 0.770 53.767 53.050 -0.089 0.000 0.770 641 N CB -0.317 38.069 38.487 -0.169 0.000 1.178 641 N HN 0.724 nan 8.380 nan 0.000 0.515 642 G N 1.100 109.946 108.800 0.076 0.000 2.667 642 G HA2 0.305 4.265 3.960 0.001 0.000 0.250 642 G HA3 0.305 4.265 3.960 0.001 0.000 0.250 642 G C -1.972 173.034 174.900 0.177 0.000 1.212 642 G CA -1.120 44.022 45.100 0.069 0.000 0.874 642 G HN 0.083 nan 8.290 nan 0.000 0.561 643 P HA 0.073 nan 4.420 nan 0.000 0.238 643 P C -0.954 176.415 177.300 0.115 0.000 1.714 643 P CA -0.020 63.151 63.100 0.119 0.000 0.908 643 P CB -0.471 31.265 31.700 0.060 0.000 1.893 644 N N 0.137 118.941 118.700 0.174 0.000 2.308 644 N HA 0.549 5.289 4.740 0.001 0.000 0.283 644 N C -0.933 174.737 175.510 0.265 0.000 1.105 644 N CA -0.640 52.544 53.050 0.224 0.000 0.840 644 N CB 1.854 40.473 38.487 0.220 0.000 1.633 644 N HN -0.064 nan 8.380 nan 0.000 0.476 645 L N 0.405 121.723 121.223 0.158 0.000 2.350 645 L HA 0.784 5.124 4.340 0.001 0.000 0.260 645 L C -0.989 175.695 176.870 -0.310 0.000 1.015 645 L CA -1.236 53.530 54.840 -0.124 0.000 0.821 645 L CB 2.163 44.086 42.059 -0.227 0.000 1.370 645 L HN 0.169 nan 8.230 nan 0.000 0.416 646 V N 3.046 122.666 119.914 -0.489 0.000 2.444 646 V HA 0.457 4.578 4.120 0.001 0.000 0.294 646 V C -0.423 175.513 176.094 -0.263 0.000 1.022 646 V CA -0.412 61.576 62.300 -0.519 0.000 0.850 646 V CB 1.953 33.361 31.823 -0.693 0.000 0.992 646 V HN 0.374 nan 8.190 nan 0.000 0.426 647 I N 3.562 123.992 120.570 -0.232 0.000 2.404 647 I HA 0.336 4.507 4.170 0.001 0.000 0.293 647 I C -0.076 175.816 176.117 -0.375 0.000 0.992 647 I CA -0.521 60.663 61.300 -0.192 0.000 1.149 647 I CB 1.772 39.733 38.000 -0.067 0.000 1.315 647 I HN 0.640 nan 8.210 nan 0.000 0.446 648 D N 5.997 126.087 120.400 -0.518 0.000 2.402 648 D HA 0.119 4.760 4.640 0.001 0.000 0.235 648 D C 0.193 176.294 176.300 -0.331 0.000 1.226 648 D CA 0.125 53.709 54.000 -0.693 0.000 0.918 648 D CB 0.571 40.808 40.800 -0.938 0.000 1.043 648 D HN 0.435 nan 8.370 nan 0.000 0.506 649 Q N 2.207 121.848 119.800 -0.266 0.000 2.201 649 Q HA 0.109 4.449 4.340 0.001 0.000 0.217 649 Q C 0.319 176.237 176.000 -0.136 0.000 0.860 649 Q CA -0.229 55.478 55.803 -0.160 0.000 0.984 649 Q CB 0.472 29.130 28.738 -0.133 0.000 1.095 649 Q HN 0.592 nan 8.270 nan 0.000 0.477 650 T N -1.003 113.456 114.554 -0.159 0.000 2.868 650 T HA 0.269 4.620 4.350 0.001 0.000 0.292 650 T C 0.084 174.745 174.700 -0.065 0.000 1.028 650 T CA -0.594 61.442 62.100 -0.106 0.000 1.059 650 T CB 1.189 69.996 68.868 -0.101 0.000 0.991 650 T HN -0.142 nan 8.240 nan 0.000 0.531 651 K N 1.245 121.614 120.400 -0.052 0.000 2.502 651 K HA 0.583 4.903 4.320 0.001 0.000 0.254 651 K C 0.206 176.790 176.600 -0.026 0.000 0.947 651 K CA -0.436 55.830 56.287 -0.035 0.000 0.834 651 K CB 1.447 33.921 32.500 -0.042 0.000 1.112 651 K HN 1.171 nan 8.250 nan 0.000 0.427 652 A N 1.632 124.446 122.820 -0.011 0.000 2.687 652 A HA -0.146 4.175 4.320 0.001 0.000 0.299 652 A C -0.055 177.520 177.584 -0.015 0.000 1.497 652 A CA 0.488 52.518 52.037 -0.011 0.000 0.751 652 A CB -1.981 17.007 19.000 -0.021 0.000 1.048 652 A HN 0.303 nan 8.150 nan 0.000 0.464 653 V N 2.059 121.975 119.914 0.003 0.000 2.320 653 V HA 0.233 4.354 4.120 0.001 0.000 0.265 653 V C 0.829 176.921 176.094 -0.004 0.000 1.048 653 V CA 0.471 62.776 62.300 0.008 0.000 0.865 653 V CB 1.100 32.944 31.823 0.036 0.000 1.043 653 V HN 0.811 nan 8.190 nan 0.000 0.474 654 Q N 4.178 123.927 119.800 -0.084 0.000 2.349 654 Q HA -0.036 4.305 4.340 0.001 0.000 0.287 654 Q C 0.081 175.966 176.000 -0.190 0.000 1.044 654 Q CA 0.327 55.980 55.803 -0.250 0.000 0.918 654 Q CB 0.167 28.601 28.738 -0.508 0.000 1.242 654 Q HN 0.717 nan 8.270 nan 0.000 0.405 655 Y N 0.169 120.428 120.300 -0.068 0.000 4.929 655 Y HA -0.358 4.192 4.550 0.001 0.000 0.253 655 Y C 0.869 176.554 175.900 -0.357 0.000 0.946 655 Y CA 0.715 58.656 58.100 -0.266 0.000 1.905 655 Y CB -2.056 36.334 38.460 -0.118 0.000 1.400 655 Y HN 0.708 nan 8.280 nan 0.000 0.531 656 L N 1.750 122.967 121.223 -0.011 0.000 2.030 656 L HA -0.299 4.042 4.340 0.001 0.000 0.222 656 L C 2.852 179.782 176.870 0.100 0.000 1.082 656 L CA 2.970 57.880 54.840 0.118 0.000 0.785 656 L CB -0.845 41.350 42.059 0.228 0.000 0.895 656 L HN 0.614 nan 8.230 nan 0.000 0.439 657 H N -1.038 118.132 119.070 0.167 0.000 2.489 657 H HA -0.115 4.442 4.556 0.001 0.000 0.295 657 H C 1.525 176.861 175.328 0.013 0.000 1.082 657 H CA 1.381 57.458 56.048 0.049 0.000 1.295 657 H CB -0.770 28.999 29.762 0.012 0.000 1.380 657 H HN 0.604 nan 8.280 nan 0.000 0.548 658 E N 1.070 121.136 120.200 -0.223 0.000 2.478 658 E HA 0.017 4.367 4.350 0.001 0.000 0.198 658 E C 1.818 178.397 176.600 -0.033 0.000 1.046 658 E CA 0.812 57.156 56.400 -0.092 0.000 0.870 658 E CB 0.104 29.730 29.700 -0.124 0.000 0.818 658 E HN 0.757 nan 8.360 nan 0.000 0.527 659 I N -3.009 117.566 120.570 0.008 0.000 4.154 659 I HA 0.185 4.355 4.170 0.001 0.000 0.334 659 I C 1.935 178.081 176.117 0.049 0.000 1.371 659 I CA -0.347 60.981 61.300 0.046 0.000 1.110 659 I CB 0.253 38.312 38.000 0.098 0.000 1.085 659 I HN -0.190 nan 8.210 nan 0.000 0.398 660 K N 2.158 122.523 120.400 -0.058 0.000 2.015 660 K HA -0.245 4.076 4.320 0.001 0.000 0.216 660 K C 1.479 177.962 176.600 -0.195 0.000 1.052 660 K CA 2.776 58.857 56.287 -0.344 0.000 0.937 660 K CB -0.118 31.939 32.500 -0.738 0.000 0.719 660 K HN 0.351 nan 8.250 nan 0.000 0.446 661 D N 0.098 120.415 120.400 -0.138 0.000 2.133 661 D HA -0.149 4.492 4.640 0.001 0.000 0.195 661 D C 2.041 178.344 176.300 0.004 0.000 0.997 661 D CA 1.387 55.346 54.000 -0.067 0.000 0.840 661 D CB -0.393 40.378 40.800 -0.048 0.000 0.947 661 D HN 0.195 nan 8.370 nan 0.000 0.452 662 S N 0.120 115.834 115.700 0.024 0.000 2.348 662 S HA -0.118 4.353 4.470 0.001 0.000 0.221 662 S C 2.408 177.072 174.600 0.107 0.000 1.033 662 S CA 0.862 59.098 58.200 0.060 0.000 1.010 662 S CB -0.397 62.835 63.200 0.053 0.000 0.891 662 S HN 0.099 nan 8.310 nan 0.000 0.442 663 V N 1.728 121.728 119.914 0.143 0.000 2.332 663 V HA -0.166 3.955 4.120 0.001 0.000 0.248 663 V C 2.300 178.537 176.094 0.239 0.000 1.055 663 V CA 1.548 63.982 62.300 0.223 0.000 1.038 663 V CB -0.868 31.194 31.823 0.398 0.000 0.651 663 V HN 0.336 nan 8.190 nan 0.000 0.450 664 V N 0.213 120.238 119.914 0.186 0.000 2.307 664 V HA -0.213 3.908 4.120 0.001 0.000 0.245 664 V C 2.742 178.960 176.094 0.208 0.000 1.045 664 V CA 1.833 64.255 62.300 0.204 0.000 1.024 664 V CB -1.261 30.622 31.823 0.100 0.000 0.651 664 V HN 0.543 nan 8.190 nan 0.000 0.449 665 A N 0.423 123.327 122.820 0.139 0.000 1.884 665 A HA -0.259 4.061 4.320 0.001 0.000 0.219 665 A C 2.446 180.147 177.584 0.195 0.000 1.197 665 A CA 2.688 54.806 52.037 0.135 0.000 0.637 665 A CB -1.026 18.050 19.000 0.126 0.000 0.827 665 A HN 0.620 nan 8.150 nan 0.000 0.450 666 A N -1.665 121.274 122.820 0.199 0.000 1.940 666 A HA -0.072 4.249 4.320 0.001 0.000 0.219 666 A C 2.039 179.750 177.584 0.212 0.000 1.176 666 A CA 1.721 53.875 52.037 0.195 0.000 0.631 666 A CB -0.708 18.377 19.000 0.140 0.000 0.814 666 A HN 0.666 nan 8.150 nan 0.000 0.446 667 F N 0.789 120.786 119.950 0.078 0.000 2.171 667 F HA -0.185 4.342 4.527 0.001 0.000 0.300 667 F C 2.478 178.292 175.800 0.024 0.000 1.090 667 F CA 1.937 59.972 58.000 0.060 0.000 1.293 667 F CB -0.188 38.858 39.000 0.076 0.000 1.013 667 F HN 0.243 nan 8.300 nan 0.000 0.486 668 Q N -0.987 118.777 119.800 -0.060 0.000 2.124 668 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 668 Q C 2.221 178.003 176.000 -0.363 0.000 0.977 668 Q CA 2.007 57.651 55.803 -0.264 0.000 0.850 668 Q CB -1.096 27.491 28.738 -0.252 0.000 0.901 668 Q HN 0.593 nan 8.270 nan 0.000 0.429 669 W N 0.914 122.136 121.300 -0.129 0.000 2.407 669 W HA -0.027 4.633 4.660 0.001 0.000 0.305 669 W C 2.608 179.033 176.519 -0.157 0.000 1.196 669 W CA 1.079 58.346 57.345 -0.131 0.000 1.311 669 W CB -0.483 28.915 29.460 -0.104 0.000 1.135 669 W HN 0.149 nan 8.180 nan 0.000 0.514 670 A N 0.281 123.125 122.820 0.041 0.000 1.917 670 A HA -0.304 4.016 4.320 0.001 0.000 0.219 670 A C 1.893 179.409 177.584 -0.112 0.000 1.182 670 A CA 2.985 55.035 52.037 0.022 0.000 0.633 670 A CB -1.580 17.409 19.000 -0.019 0.000 0.819 670 A HN 0.364 nan 8.150 nan 0.000 0.448 671 T N -2.910 111.419 114.554 -0.375 0.000 3.023 671 T HA -0.022 4.328 4.350 0.001 0.000 0.266 671 T C 1.754 176.274 174.700 -0.301 0.000 1.093 671 T CA 1.487 63.336 62.100 -0.418 0.000 1.129 671 T CB -0.053 68.433 68.868 -0.637 0.000 0.899 671 T HN 0.354 nan 8.240 nan 0.000 0.491 672 K N 2.135 122.378 120.400 -0.261 0.000 2.031 672 K HA 0.058 4.379 4.320 0.001 0.000 0.205 672 K C 0.492 176.993 176.600 -0.165 0.000 1.049 672 K CA 1.119 57.262 56.287 -0.240 0.000 0.939 672 K CB -0.023 32.294 32.500 -0.305 0.000 0.717 672 K HN 0.545 nan 8.250 nan 0.000 0.438 673 E N 0.113 120.268 120.200 -0.075 0.000 2.235 673 E HA 0.335 4.685 4.350 0.001 0.000 0.252 673 E C -0.667 175.861 176.600 -0.120 0.000 0.886 673 E CA -0.564 55.787 56.400 -0.082 0.000 0.767 673 E CB 1.517 31.231 29.700 0.023 0.000 1.205 673 E HN 0.370 nan 8.360 nan 0.000 0.421 674 G N 2.752 111.368 108.800 -0.307 0.000 2.616 674 G HA2 0.158 4.119 3.960 0.001 0.000 0.268 674 G HA3 0.158 4.119 3.960 0.001 0.000 0.268 674 G C -1.473 173.030 174.900 -0.661 0.000 1.213 674 G CA -0.916 43.845 45.100 -0.565 0.000 0.926 674 G HN 0.313 nan 8.290 nan 0.000 0.523 675 P HA 0.063 nan 4.420 nan 0.000 0.245 675 P C 1.584 178.764 177.300 -0.199 0.000 1.206 675 P CA 0.355 63.013 63.100 -0.737 0.000 0.781 675 P CB 0.373 31.442 31.700 -1.052 0.000 0.994 676 I N -0.094 120.422 120.570 -0.090 0.000 2.193 676 I HA -0.089 4.081 4.170 0.001 0.000 0.240 676 I C 1.360 177.674 176.117 0.327 0.000 1.084 676 I CA 1.588 62.995 61.300 0.178 0.000 1.365 676 I CB -0.262 37.932 38.000 0.323 0.000 1.064 676 I HN -0.080 nan 8.210 nan 0.000 0.410 677 F N -1.461 118.446 119.950 -0.072 0.000 2.457 677 F HA 0.534 5.061 4.527 0.001 0.000 0.384 677 F C 0.578 176.368 175.800 -0.017 0.000 1.464 677 F CA -0.324 57.664 58.000 -0.020 0.000 1.060 677 F CB -0.347 38.661 39.000 0.015 0.000 1.699 677 F HN 0.052 nan 8.300 nan 0.000 0.497 678 G N 0.041 108.721 108.800 -0.200 0.000 2.196 678 G HA2 -0.271 3.689 3.960 0.001 0.000 0.268 678 G HA3 -0.271 3.689 3.960 0.001 0.000 0.268 678 G C 0.227 174.920 174.900 -0.346 0.000 0.975 678 G CA 0.702 45.647 45.100 -0.259 0.000 0.648 678 G HN 0.529 nan 8.290 nan 0.000 0.538 679 E N 0.641 120.492 120.200 -0.581 0.000 2.342 679 E HA 0.319 4.670 4.350 0.001 0.000 0.257 679 E C 0.691 177.093 176.600 -0.331 0.000 1.150 679 E CA -0.449 55.652 56.400 -0.497 0.000 0.926 679 E CB 0.466 29.731 29.700 -0.725 0.000 1.074 679 E HN 0.567 nan 8.360 nan 0.000 0.449 680 E N 0.881 120.920 120.200 -0.267 0.000 2.373 680 E HA 0.076 4.427 4.350 0.001 0.000 0.267 680 E C -0.043 176.400 176.600 -0.262 0.000 1.032 680 E CA 0.113 56.358 56.400 -0.259 0.000 0.889 680 E CB 0.691 30.241 29.700 -0.250 0.000 0.984 680 E HN 0.209 nan 8.360 nan 0.000 0.425 681 M N 2.321 121.771 119.600 -0.250 0.000 2.274 681 M HA 0.307 4.787 4.480 0.001 0.000 0.344 681 M C 0.091 176.297 176.300 -0.156 0.000 1.161 681 M CA 0.091 55.282 55.300 -0.182 0.000 1.126 681 M CB 1.145 33.638 32.600 -0.177 0.000 1.522 681 M HN 0.322 nan 8.290 nan 0.000 0.461 682 R N 0.242 120.684 120.500 -0.097 0.000 2.604 682 R HA 0.336 4.677 4.340 0.001 0.000 0.281 682 R C -0.781 175.510 176.300 -0.015 0.000 1.020 682 R CA -0.159 55.870 56.100 -0.117 0.000 0.899 682 R CB 1.456 31.577 30.300 -0.297 0.000 1.205 682 R HN 0.807 nan 8.270 nan 0.000 0.450 683 S N 0.582 116.294 115.700 0.021 0.000 3.749 683 S HA -0.122 4.348 4.470 0.001 0.000 0.348 683 S C -0.578 174.082 174.600 0.099 0.000 1.045 683 S CA 0.767 59.005 58.200 0.064 0.000 1.051 683 S CB -1.339 61.891 63.200 0.050 0.000 0.898 683 S HN 0.365 nan 8.310 nan 0.000 0.472 684 V N 1.330 121.326 119.914 0.137 0.000 2.448 684 V HA 0.659 4.779 4.120 0.001 0.000 0.295 684 V C 0.250 176.465 176.094 0.202 0.000 1.025 684 V CA -0.780 61.630 62.300 0.183 0.000 0.859 684 V CB 1.940 33.925 31.823 0.270 0.000 0.988 684 V HN 0.448 nan 8.190 nan 0.000 0.431 685 R N 4.272 124.863 120.500 0.153 0.000 2.393 685 R HA 0.724 5.064 4.340 0.001 0.000 0.310 685 R C -1.650 174.702 176.300 0.085 0.000 0.968 685 R CA -0.262 55.911 56.100 0.121 0.000 0.867 685 R CB 1.723 32.084 30.300 0.102 0.000 1.124 685 R HN 0.442 nan 8.270 nan 0.000 0.450 686 V N 5.141 125.073 119.914 0.030 0.000 2.443 686 V HA 0.378 4.498 4.120 0.001 0.000 0.293 686 V C -0.914 175.121 176.094 -0.098 0.000 1.021 686 V CA -0.870 61.426 62.300 -0.006 0.000 0.848 686 V CB 1.660 33.492 31.823 0.016 0.000 0.998 686 V HN 0.888 nan 8.190 nan 0.000 0.424 687 N N 4.579 123.230 118.700 -0.081 0.000 2.469 687 N HA 0.548 5.288 4.740 0.001 0.000 0.253 687 N C -0.678 174.756 175.510 -0.125 0.000 0.970 687 N CA -0.496 52.480 53.050 -0.122 0.000 0.940 687 N CB 1.555 39.978 38.487 -0.107 0.000 1.128 687 N HN 0.557 nan 8.380 nan 0.000 0.503 688 I N 3.065 123.516 120.570 -0.197 0.000 2.494 688 I HA -0.021 4.150 4.170 0.001 0.000 0.289 688 I C 1.149 177.184 176.117 -0.136 0.000 1.106 688 I CA 0.207 61.403 61.300 -0.173 0.000 1.369 688 I CB 0.444 38.264 38.000 -0.300 0.000 1.410 688 I HN 0.572 nan 8.210 nan 0.000 0.523 689 L N 3.953 125.140 121.223 -0.059 0.000 2.162 689 L HA 0.177 4.517 4.340 0.001 0.000 0.205 689 L C 0.526 177.356 176.870 -0.066 0.000 1.086 689 L CA 0.745 55.549 54.840 -0.060 0.000 0.778 689 L CB -0.145 41.895 42.059 -0.032 0.000 0.928 689 L HN 0.594 nan 8.230 nan 0.000 0.446 690 D N -1.947 118.452 120.400 -0.002 0.000 2.599 690 D HA 0.560 5.200 4.640 0.001 0.000 0.252 690 D C -1.474 174.917 176.300 0.152 0.000 1.232 690 D CA -0.228 53.764 54.000 -0.012 0.000 0.819 690 D CB 2.841 43.499 40.800 -0.236 0.000 1.401 690 D HN -0.307 nan 8.370 nan 0.000 0.429 691 V N 0.386 120.374 119.914 0.123 0.000 3.048 691 V HA 0.679 4.800 4.120 0.001 0.000 0.303 691 V C -0.806 175.374 176.094 0.144 0.000 1.214 691 V CA -0.702 61.696 62.300 0.163 0.000 0.984 691 V CB 2.225 34.108 31.823 0.099 0.000 1.054 691 V HN 0.807 nan 8.190 nan 0.000 0.430 692 T N 2.307 116.959 114.554 0.163 0.000 2.879 692 T HA 0.846 5.196 4.350 0.001 0.000 0.290 692 T C -1.169 173.610 174.700 0.131 0.000 0.993 692 T CA -0.570 61.611 62.100 0.135 0.000 0.975 692 T CB 1.240 70.197 68.868 0.148 0.000 0.981 692 T HN 0.430 nan 8.240 nan 0.000 0.439 693 L N 2.163 123.473 121.223 0.144 0.000 2.354 693 L HA 0.521 4.862 4.340 0.001 0.000 0.264 693 L C 0.109 177.093 176.870 0.191 0.000 1.008 693 L CA -1.436 53.504 54.840 0.167 0.000 0.819 693 L CB 2.149 44.315 42.059 0.178 0.000 1.339 693 L HN 0.821 nan 8.230 nan 0.000 0.420 694 H N 0.559 119.682 119.070 0.089 0.000 2.928 694 H HA 0.094 4.650 4.556 0.001 0.000 0.338 694 H C 0.919 176.253 175.328 0.010 0.000 1.047 694 H CA 0.626 56.710 56.048 0.061 0.000 1.435 694 H CB 1.604 31.362 29.762 -0.006 0.000 1.428 694 H HN 0.765 nan 8.280 nan 0.000 0.590 695 A N 4.084 126.975 122.820 0.119 0.000 1.908 695 A HA -0.129 4.191 4.320 0.001 0.000 0.218 695 A C 0.567 178.161 177.584 0.016 0.000 1.181 695 A CA 1.428 53.546 52.037 0.135 0.000 0.627 695 A CB -0.096 18.975 19.000 0.118 0.000 0.818 695 A HN 0.807 nan 8.150 nan 0.000 0.445 696 D N -0.117 120.482 120.400 0.332 0.000 2.317 696 D HA 0.451 5.091 4.640 0.001 0.000 0.252 696 D C 1.210 177.399 176.300 -0.184 0.000 1.174 696 D CA 0.628 54.621 54.000 -0.011 0.000 0.866 696 D CB 1.448 42.220 40.800 -0.047 0.000 1.127 696 D HN 0.217 nan 8.370 nan 0.000 0.467 697 A N 4.400 127.093 122.820 -0.212 0.000 1.958 697 A HA -0.186 4.135 4.320 0.001 0.000 0.221 697 A C 1.395 178.871 177.584 -0.179 0.000 1.178 697 A CA 0.808 52.727 52.037 -0.196 0.000 0.642 697 A CB -0.520 18.380 19.000 -0.167 0.000 0.816 697 A HN 0.620 nan 8.150 nan 0.000 0.453 701 G N -0.435 108.330 108.800 -0.058 0.000 2.667 701 G HA2 0.295 4.256 3.960 0.001 0.000 0.250 701 G HA3 0.295 4.256 3.960 0.001 0.000 0.250 701 G C 1.192 176.079 174.900 -0.022 0.000 1.212 701 G CA 0.122 45.196 45.100 -0.043 0.000 0.874 701 G HN 0.145 nan 8.290 nan 0.000 0.561 702 G N 0.248 109.039 108.800 -0.015 0.000 2.529 702 G HA2 -0.148 3.813 3.960 0.001 0.000 0.219 702 G HA3 -0.148 3.813 3.960 0.001 0.000 0.219 702 G C 1.869 176.766 174.900 -0.006 0.000 1.177 702 G CA 1.572 46.671 45.100 -0.001 0.000 0.773 702 G HN 1.067 nan 8.290 nan 0.000 0.573 703 G N -0.614 108.176 108.800 -0.017 0.000 2.485 703 G HA2 -0.158 3.802 3.960 0.001 0.000 0.221 703 G HA3 -0.158 3.802 3.960 0.001 0.000 0.221 703 G C 1.864 176.752 174.900 -0.020 0.000 1.115 703 G CA 1.319 46.405 45.100 -0.024 0.000 0.751 703 G HN 0.401 nan 8.290 nan 0.000 0.567 704 Q N -0.218 119.573 119.800 -0.015 0.000 2.013 704 Q HA 0.090 4.431 4.340 0.001 0.000 0.195 704 Q C 2.766 178.768 176.000 0.003 0.000 0.974 704 Q CA 0.526 56.325 55.803 -0.006 0.000 0.826 704 Q CB -0.446 28.289 28.738 -0.005 0.000 0.895 704 Q HN 0.443 nan 8.270 nan 0.000 0.448 705 I N 1.204 121.782 120.570 0.012 0.000 2.252 705 I HA -0.220 3.951 4.170 0.001 0.000 0.245 705 I C 2.326 178.459 176.117 0.027 0.000 1.102 705 I CA 0.847 62.164 61.300 0.027 0.000 1.385 705 I CB -0.602 37.425 38.000 0.045 0.000 1.064 705 I HN 0.133 nan 8.210 nan 0.000 0.414 706 I N 0.811 121.396 120.570 0.024 0.000 2.087 706 I HA -0.281 3.890 4.170 0.001 0.000 0.240 706 I C -0.236 175.879 176.117 -0.003 0.000 1.054 706 I CA 1.970 63.286 61.300 0.028 0.000 1.311 706 I CB -1.957 36.059 38.000 0.026 0.000 1.024 706 I HN 0.209 nan 8.210 nan 0.000 0.402 707 P HA -0.103 nan 4.420 nan 0.000 0.217 707 P C 1.565 178.838 177.300 -0.045 0.000 1.150 707 P CA 1.516 64.583 63.100 -0.056 0.000 0.832 707 P CB -0.233 31.436 31.700 -0.051 0.000 0.787 708 T N 0.174 114.716 114.554 -0.021 0.000 2.555 708 T HA -0.267 4.083 4.350 0.001 0.000 0.264 708 T C 1.768 176.458 174.700 -0.017 0.000 1.083 708 T CA 2.096 64.184 62.100 -0.019 0.000 1.179 708 T CB -1.061 67.800 68.868 -0.012 0.000 0.863 708 T HN 0.064 nan 8.240 nan 0.000 0.412 709 M N 1.263 120.869 119.600 0.009 0.000 2.108 709 M HA -0.125 4.356 4.480 0.001 0.000 0.257 709 M C 2.198 178.505 176.300 0.013 0.000 1.071 709 M CA 1.627 56.949 55.300 0.038 0.000 1.093 709 M CB -0.441 32.212 32.600 0.088 0.000 1.345 709 M HN 0.004 nan 8.290 nan 0.000 0.403 710 R N -0.240 120.229 120.500 -0.051 0.000 2.096 710 R HA -0.122 4.219 4.340 0.001 0.000 0.235 710 R C 2.220 178.310 176.300 -0.351 0.000 1.127 710 R CA 1.733 57.708 56.100 -0.208 0.000 0.968 710 R CB -0.195 29.944 30.300 -0.268 0.000 0.861 710 R HN 0.500 nan 8.270 nan 0.000 0.440 711 R N -0.315 120.073 120.500 -0.186 0.000 2.062 711 R HA -0.008 4.333 4.340 0.001 0.000 0.229 711 R C 2.378 178.709 176.300 0.053 0.000 1.128 711 R CA 1.102 57.158 56.100 -0.073 0.000 0.960 711 R CB -0.445 29.905 30.300 0.084 0.000 0.855 711 R HN 0.174 nan 8.270 nan 0.000 0.432 712 A N 1.156 124.003 122.820 0.045 0.000 1.859 712 A HA -0.215 4.105 4.320 0.001 0.000 0.217 712 A C 2.269 179.937 177.584 0.141 0.000 1.198 712 A CA 2.369 54.456 52.037 0.083 0.000 0.629 712 A CB -1.248 17.767 19.000 0.026 0.000 0.830 712 A HN 0.322 nan 8.150 nan 0.000 0.446 713 T N -1.163 113.466 114.554 0.124 0.000 2.721 713 T HA -0.206 4.144 4.350 0.001 0.000 0.268 713 T C 1.788 176.668 174.700 0.300 0.000 1.038 713 T CA 1.888 64.112 62.100 0.207 0.000 1.145 713 T CB -0.453 68.546 68.868 0.218 0.000 0.858 713 T HN 0.482 nan 8.240 nan 0.000 0.459 714 Y N 1.366 121.636 120.300 -0.049 0.000 2.200 714 Y HA 0.117 4.668 4.550 0.001 0.000 0.290 714 Y C 2.729 178.682 175.900 0.088 0.000 1.137 714 Y CA -0.099 57.896 58.100 -0.175 0.000 1.163 714 Y CB -1.378 36.611 38.460 -0.786 0.000 0.988 714 Y HN 0.206 nan 8.280 nan 0.000 0.518 715 A N 0.171 123.205 122.820 0.356 0.000 1.849 715 A HA -0.197 4.124 4.320 0.001 0.000 0.217 715 A C 2.708 180.481 177.584 0.316 0.000 1.202 715 A CA 2.291 54.602 52.037 0.456 0.000 0.629 715 A CB -1.540 17.751 19.000 0.486 0.000 0.834 715 A HN 0.454 nan 8.150 nan 0.000 0.447 716 G N -1.298 107.648 108.800 0.243 0.000 2.513 716 G HA2 -0.321 3.640 3.960 0.001 0.000 0.219 716 G HA3 -0.321 3.640 3.960 0.001 0.000 0.219 716 G C 1.508 176.495 174.900 0.144 0.000 1.160 716 G CA 1.371 46.562 45.100 0.151 0.000 0.767 716 G HN 0.523 nan 8.290 nan 0.000 0.571 717 F N 0.681 120.677 119.950 0.076 0.000 2.043 717 F HA -0.110 4.418 4.527 0.001 0.000 0.297 717 F C 2.401 178.218 175.800 0.029 0.000 1.121 717 F CA 1.255 59.281 58.000 0.043 0.000 1.199 717 F CB -0.227 38.789 39.000 0.027 0.000 0.968 717 F HN 0.030 nan 8.300 nan 0.000 0.478 718 L N 0.343 121.756 121.223 0.316 0.000 2.261 718 L HA -0.195 4.145 4.340 0.001 0.000 0.216 718 L C 2.141 179.021 176.870 0.017 0.000 1.114 718 L CA 1.469 56.436 54.840 0.211 0.000 0.777 718 L CB -1.363 40.921 42.059 0.375 0.000 0.910 718 L HN 0.323 nan 8.230 nan 0.000 0.440 719 L N -1.320 119.860 121.223 -0.071 0.000 2.446 719 L HA 0.052 4.392 4.340 0.001 0.000 0.219 719 L C 1.832 178.579 176.870 -0.204 0.000 1.116 719 L CA 0.398 55.095 54.840 -0.239 0.000 0.844 719 L CB -0.285 41.562 42.059 -0.354 0.000 0.970 719 L HN 0.173 nan 8.230 nan 0.000 0.457 720 A N -0.431 122.266 122.820 -0.205 0.000 2.412 720 A HA 0.039 4.360 4.320 0.001 0.000 0.253 720 A C 0.064 177.506 177.584 -0.237 0.000 1.334 720 A CA -0.086 51.823 52.037 -0.214 0.000 0.929 720 A CB -0.506 18.363 19.000 -0.219 0.000 0.983 720 A HN 0.430 nan 8.150 nan 0.000 0.508 721 D N -0.874 119.405 120.400 -0.202 0.000 4.044 721 D HA -0.092 4.548 4.640 0.001 0.000 0.242 721 D C -2.815 173.354 176.300 -0.219 0.000 1.076 721 D CA 0.229 54.132 54.000 -0.162 0.000 1.171 721 D CB -0.654 40.075 40.800 -0.120 0.000 0.866 721 D HN 0.280 nan 8.370 nan 0.000 0.413 722 P HA 0.406 nan 4.420 nan 0.000 0.271 722 P C -0.523 176.730 177.300 -0.079 0.000 1.218 722 P CA 0.028 62.997 63.100 -0.219 0.000 0.780 722 P CB 0.685 32.352 31.700 -0.055 0.000 0.901 723 K N 0.929 121.317 120.400 -0.021 0.000 2.597 723 K HA 0.606 4.927 4.320 0.001 0.000 0.282 723 K C -1.062 175.594 176.600 0.093 0.000 0.975 723 K CA -0.664 55.636 56.287 0.022 0.000 0.867 723 K CB 1.521 34.022 32.500 0.001 0.000 1.465 723 K HN 0.475 nan 8.250 nan 0.000 0.417 724 I N -1.600 119.025 120.570 0.091 0.000 2.740 724 I HA 0.534 4.705 4.170 0.001 0.000 0.303 724 I C -1.090 175.126 176.117 0.164 0.000 1.044 724 I CA -0.616 60.777 61.300 0.154 0.000 1.064 724 I CB 2.147 40.242 38.000 0.159 0.000 1.249 724 I HN 0.469 nan 8.210 nan 0.000 0.433 725 Q N 3.503 123.436 119.800 0.221 0.000 2.301 725 Q HA 0.445 4.785 4.340 0.001 0.000 0.267 725 Q C -1.243 175.063 176.000 0.510 0.000 1.035 725 Q CA -0.803 55.166 55.803 0.277 0.000 0.856 725 Q CB 2.468 31.326 28.738 0.200 0.000 1.337 725 Q HN 0.746 nan 8.270 nan 0.000 0.450 726 E N 1.140 121.610 120.200 0.449 0.000 2.256 726 E HA 0.559 4.909 4.350 0.001 0.000 0.267 726 E C -2.713 173.979 176.600 0.153 0.000 0.892 726 E CA -2.325 54.290 56.400 0.360 0.000 0.775 726 E CB 2.056 31.922 29.700 0.277 0.000 1.207 726 E HN 0.180 nan 8.360 nan 0.000 0.420 727 P HA 0.130 nan 4.420 nan 0.000 0.278 727 P C -0.655 176.366 177.300 -0.466 0.000 1.238 727 P CA -0.446 62.354 63.100 -0.500 0.000 0.794 727 P CB 1.297 32.627 31.700 -0.617 0.000 0.955 728 V N 2.683 122.247 119.914 -0.584 0.000 2.760 728 V HA 0.377 4.497 4.120 0.001 0.000 0.309 728 V C -0.256 175.592 176.094 -0.410 0.000 1.077 728 V CA -0.526 61.502 62.300 -0.452 0.000 0.910 728 V CB 1.587 33.222 31.823 -0.313 0.000 1.008 728 V HN 0.327 nan 8.190 nan 0.000 0.424 729 F N 3.098 122.973 119.950 -0.126 0.000 2.379 729 F HA 0.558 5.086 4.527 0.001 0.000 0.332 729 F C 0.198 175.986 175.800 -0.020 0.000 1.096 729 F CA -1.129 56.803 58.000 -0.113 0.000 1.105 729 F CB 1.417 40.346 39.000 -0.117 0.000 1.189 729 F HN 0.272 nan 8.300 nan 0.000 0.515 730 L N 4.537 125.878 121.223 0.196 0.000 2.283 730 L HA 0.503 4.844 4.340 0.001 0.000 0.281 730 L C -1.184 175.690 176.870 0.008 0.000 1.033 730 L CA -0.593 54.336 54.840 0.147 0.000 0.848 730 L CB 0.822 42.943 42.059 0.103 0.000 1.226 730 L HN 0.418 nan 8.230 nan 0.000 0.429 731 V N 6.024 125.915 119.914 -0.038 0.000 2.350 731 V HA 0.319 4.439 4.120 0.001 0.000 0.276 731 V C -0.102 175.936 176.094 -0.092 0.000 1.028 731 V CA -0.343 61.902 62.300 -0.092 0.000 0.860 731 V CB 1.737 33.492 31.823 -0.113 0.000 0.990 731 V HN 0.842 nan 8.190 nan 0.000 0.453 732 E N 6.503 126.642 120.200 -0.102 0.000 2.156 732 E HA 0.538 4.888 4.350 0.001 0.000 0.279 732 E C -1.161 175.381 176.600 -0.097 0.000 0.965 732 E CA -0.574 55.772 56.400 -0.091 0.000 0.789 732 E CB 1.301 30.954 29.700 -0.080 0.000 1.098 732 E HN 0.738 nan 8.360 nan 0.000 0.397 733 I N 3.697 124.229 120.570 -0.063 0.000 2.498 733 I HA 0.201 4.371 4.170 0.001 0.000 0.290 733 I C -0.721 175.407 176.117 0.018 0.000 1.032 733 I CA -0.981 60.289 61.300 -0.050 0.000 1.073 733 I CB 2.033 40.005 38.000 -0.047 0.000 1.251 733 I HN 0.432 nan 8.210 nan 0.000 0.426 734 Q N 4.470 124.320 119.800 0.084 0.000 2.271 734 Q HA 0.617 4.958 4.340 0.001 0.000 0.258 734 Q C -1.119 174.951 176.000 0.117 0.000 0.936 734 Q CA -0.084 55.803 55.803 0.142 0.000 0.909 734 Q CB 1.971 30.852 28.738 0.238 0.000 1.253 734 Q HN 0.686 nan 8.270 nan 0.000 0.440 735 C N 4.362 123.723 119.300 0.103 0.000 3.199 735 C HA 0.507 4.967 4.460 0.001 0.000 0.392 735 C C -2.811 172.209 174.990 0.050 0.000 1.050 735 C CA -1.615 57.445 59.018 0.071 0.000 1.222 735 C CB 1.478 29.244 27.740 0.043 0.000 1.595 735 C HN 0.625 nan 8.230 nan 0.000 0.560 736 P HA 0.130 nan 4.420 nan 0.000 0.264 736 P C 0.642 177.850 177.300 -0.153 0.000 1.193 736 P CA 0.675 63.737 63.100 -0.063 0.000 0.763 736 P CB 0.471 32.154 31.700 -0.028 0.000 0.810 737 E N 3.258 123.222 120.200 -0.394 0.000 2.236 737 E HA -0.366 3.985 4.350 0.001 0.000 0.205 737 E C 1.569 178.026 176.600 -0.239 0.000 1.028 737 E CA 1.478 57.492 56.400 -0.644 0.000 0.827 737 E CB 0.123 29.272 29.700 -0.918 0.000 0.735 737 E HN 0.525 nan 8.360 nan 0.000 0.470 738 Q N -0.590 119.120 119.800 -0.150 0.000 2.050 738 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 738 Q C 1.883 177.871 176.000 -0.020 0.000 0.980 738 Q CA 1.615 57.379 55.803 -0.066 0.000 0.840 738 Q CB -0.265 28.442 28.738 -0.052 0.000 0.898 738 Q HN 0.259 nan 8.270 nan 0.000 0.424 739 A N 0.822 123.633 122.820 -0.015 0.000 2.308 739 A HA 0.248 4.569 4.320 0.001 0.000 0.217 739 A C 2.074 179.672 177.584 0.024 0.000 1.216 739 A CA -0.032 52.009 52.037 0.007 0.000 0.864 739 A CB 0.068 19.070 19.000 0.003 0.000 0.902 739 A HN 0.171 nan 8.150 nan 0.000 0.499 740 V N 0.085 120.029 119.914 0.049 0.000 2.828 740 V HA -0.223 3.897 4.120 0.001 0.000 0.260 740 V C 2.654 178.819 176.094 0.118 0.000 1.101 740 V CA 1.800 64.154 62.300 0.092 0.000 1.123 740 V CB -1.226 30.765 31.823 0.280 0.000 0.704 740 V HN 0.598 nan 8.190 nan 0.000 0.493 741 G N 0.618 109.503 108.800 0.142 0.000 2.421 741 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 741 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 741 G C 1.646 176.620 174.900 0.124 0.000 1.171 741 G CA 0.813 46.020 45.100 0.178 0.000 0.775 741 G HN 0.573 nan 8.290 nan 0.000 0.543 742 G N 0.812 109.644 108.800 0.054 0.000 2.462 742 G HA2 -0.175 3.786 3.960 0.001 0.000 0.220 742 G HA3 -0.175 3.786 3.960 0.001 0.000 0.220 742 G C 1.584 176.481 174.900 -0.006 0.000 1.121 742 G CA 0.877 45.990 45.100 0.022 0.000 0.758 742 G HN 0.323 nan 8.290 nan 0.000 0.559 743 I N 0.297 120.829 120.570 -0.063 0.000 2.054 743 I HA -0.140 4.030 4.170 0.001 0.000 0.231 743 I C 2.500 178.558 176.117 -0.099 0.000 1.052 743 I CA 1.021 62.226 61.300 -0.158 0.000 1.320 743 I CB -1.623 36.145 38.000 -0.388 0.000 1.063 743 I HN 0.187 nan 8.210 nan 0.000 0.393 744 Y N 1.176 121.515 120.300 0.064 0.000 2.228 744 Y HA -0.258 4.292 4.550 0.001 0.000 0.285 744 Y C 3.075 179.010 175.900 0.059 0.000 1.178 744 Y CA 1.694 59.829 58.100 0.059 0.000 1.202 744 Y CB -1.272 37.217 38.460 0.049 0.000 0.974 744 Y HN 0.205 nan 8.280 nan 0.000 0.527 745 S N -0.370 115.435 115.700 0.176 0.000 2.351 745 S HA -0.163 4.307 4.470 0.001 0.000 0.220 745 S C 2.164 176.827 174.600 0.104 0.000 1.035 745 S CA 1.703 59.975 58.200 0.121 0.000 1.031 745 S CB -0.691 62.560 63.200 0.084 0.000 0.928 745 S HN 0.204 nan 8.310 nan 0.000 0.433 746 V N 2.300 122.267 119.914 0.089 0.000 2.548 746 V HA -0.041 4.080 4.120 0.001 0.000 0.249 746 V C 2.340 178.536 176.094 0.169 0.000 1.055 746 V CA 1.284 63.651 62.300 0.111 0.000 1.065 746 V CB -0.693 31.173 31.823 0.072 0.000 0.681 746 V HN 0.468 nan 8.190 nan 0.000 0.462 747 L N 0.486 121.811 121.223 0.171 0.000 2.127 747 L HA -0.154 4.187 4.340 0.001 0.000 0.211 747 L C 2.070 179.024 176.870 0.140 0.000 1.089 747 L CA 1.292 56.233 54.840 0.168 0.000 0.757 747 L CB -0.615 41.531 42.059 0.144 0.000 0.899 747 L HN 0.441 nan 8.230 nan 0.000 0.434 748 N N 0.739 119.519 118.700 0.134 0.000 2.461 748 N HA -0.085 4.656 4.740 0.001 0.000 0.188 748 N C 1.211 176.777 175.510 0.093 0.000 1.134 748 N CA 0.638 53.753 53.050 0.109 0.000 0.878 748 N CB 0.122 38.671 38.487 0.103 0.000 0.972 748 N HN 0.530 nan 8.380 nan 0.000 0.456 749 K N -0.365 120.097 120.400 0.102 0.000 2.478 749 K HA 0.283 4.604 4.320 0.001 0.000 0.205 749 K C 0.303 176.963 176.600 0.100 0.000 1.033 749 K CA -0.130 56.211 56.287 0.090 0.000 1.091 749 K CB 0.570 33.120 32.500 0.084 0.000 0.844 749 K HN -0.287 nan 8.250 nan 0.000 0.507 750 K N 0.799 121.264 120.400 0.108 0.000 2.554 750 K HA 0.281 4.602 4.320 0.001 0.000 0.211 750 K C -0.537 176.111 176.600 0.079 0.000 1.226 750 K CA -0.226 56.124 56.287 0.105 0.000 1.025 750 K CB 0.697 33.280 32.500 0.139 0.000 1.021 750 K HN 0.221 nan 8.250 nan 0.000 0.600 751 R N -0.427 120.120 120.500 0.078 0.000 3.654 751 R HA -0.117 4.224 4.340 0.001 0.000 0.302 751 R C 0.274 176.621 176.300 0.079 0.000 1.166 751 R CA 0.521 56.664 56.100 0.071 0.000 0.810 751 R CB -2.292 28.043 30.300 0.059 0.000 1.323 751 R HN 0.315 nan 8.270 nan 0.000 0.478 752 G N 0.765 109.617 108.800 0.086 0.000 2.527 752 G HA2 0.235 4.195 3.960 0.001 0.000 0.248 752 G HA3 0.235 4.195 3.960 0.001 0.000 0.248 752 G C -0.371 174.590 174.900 0.102 0.000 1.231 752 G CA -0.242 44.910 45.100 0.087 0.000 0.838 752 G HN 0.187 nan 8.290 nan 0.000 0.570 753 Q N 1.200 121.067 119.800 0.111 0.000 2.303 753 Q HA 0.387 4.727 4.340 0.001 0.000 0.267 753 Q C -0.883 175.129 176.000 0.021 0.000 1.011 753 Q CA -0.669 55.198 55.803 0.108 0.000 0.740 753 Q CB 1.780 30.635 28.738 0.195 0.000 1.250 753 Q HN 0.353 nan 8.270 nan 0.000 0.458 754 V N 4.900 124.837 119.914 0.039 0.000 2.485 754 V HA -0.005 4.115 4.120 0.001 0.000 0.287 754 V C 0.992 177.036 176.094 -0.083 0.000 1.022 754 V CA 0.200 62.505 62.300 0.008 0.000 1.067 754 V CB 0.903 32.815 31.823 0.148 0.000 0.967 754 V HN 0.773 nan 8.190 nan 0.000 0.479 755 V N 3.290 123.075 119.914 -0.214 0.000 2.795 755 V HA 0.141 4.262 4.120 0.001 0.000 0.243 755 V C 0.749 176.757 176.094 -0.143 0.000 1.069 755 V CA 1.267 63.415 62.300 -0.254 0.000 1.089 755 V CB 0.469 31.981 31.823 -0.519 0.000 0.756 755 V HN 1.014 nan 8.190 nan 0.000 0.471 756 S N -0.622 115.006 115.700 -0.120 0.000 2.578 756 S HA 0.476 4.947 4.470 0.001 0.000 0.285 756 S C -1.327 173.232 174.600 -0.069 0.000 1.126 756 S CA -0.728 57.422 58.200 -0.084 0.000 0.878 756 S CB 2.334 65.479 63.200 -0.091 0.000 1.091 756 S HN 0.298 nan 8.310 nan 0.000 0.450 757 E N 1.314 121.471 120.200 -0.073 0.000 2.244 757 E HA 0.431 4.781 4.350 0.001 0.000 0.260 757 E C -1.135 175.340 176.600 -0.209 0.000 0.884 757 E CA -0.328 56.006 56.400 -0.110 0.000 0.777 757 E CB 1.441 31.116 29.700 -0.042 0.000 1.197 757 E HN 0.763 nan 8.360 nan 0.000 0.416 758 E N 2.488 122.565 120.200 -0.205 0.000 2.393 758 E HA 0.312 4.663 4.350 0.001 0.000 0.265 758 E C -0.931 175.552 176.600 -0.195 0.000 0.941 758 E CA -0.935 55.344 56.400 -0.201 0.000 0.801 758 E CB 2.531 32.178 29.700 -0.088 0.000 1.313 758 E HN 0.405 nan 8.360 nan 0.000 0.435 759 Q N 1.184 120.943 119.800 -0.069 0.000 2.365 759 Q HA 0.308 4.649 4.340 0.001 0.000 0.269 759 Q C -1.066 175.014 176.000 0.134 0.000 1.061 759 Q CA -0.806 55.110 55.803 0.189 0.000 0.816 759 Q CB 2.019 30.976 28.738 0.365 0.000 1.325 759 Q HN 0.394 nan 8.270 nan 0.000 0.446 760 R N 4.706 125.298 120.500 0.154 0.000 2.288 760 R HA 0.160 4.501 4.340 0.001 0.000 0.330 760 R C -1.912 174.436 176.300 0.080 0.000 1.069 760 R CA -1.179 54.975 56.100 0.090 0.000 0.941 760 R CB 0.387 30.735 30.300 0.080 0.000 0.998 760 R HN 0.538 nan 8.270 nan 0.000 0.452 761 P HA -0.328 nan 4.420 nan 0.000 0.220 761 P C 0.890 178.217 177.300 0.046 0.000 0.885 761 P CA 2.475 65.603 63.100 0.046 0.000 1.045 761 P CB -0.058 31.660 31.700 0.030 0.000 0.724 762 G N -2.033 106.787 108.800 0.033 0.000 2.505 762 G HA2 -0.126 3.835 3.960 0.001 0.000 0.214 762 G HA3 -0.126 3.835 3.960 0.001 0.000 0.214 762 G C 0.510 175.424 174.900 0.023 0.000 1.237 762 G CA 1.738 46.852 45.100 0.024 0.000 0.802 762 G HN 0.571 nan 8.290 nan 0.000 0.549 763 T N -0.624 113.944 114.554 0.023 0.000 2.748 763 T HA 0.341 4.692 4.350 0.001 0.000 0.304 763 T C -2.083 172.623 174.700 0.010 0.000 1.041 763 T CA -0.805 61.302 62.100 0.012 0.000 1.033 763 T CB 1.328 70.205 68.868 0.015 0.000 0.995 763 T HN 0.002 nan 8.240 nan 0.000 0.536 764 P HA 0.295 nan 4.420 nan 0.000 0.254 764 P C -0.379 176.824 177.300 -0.162 0.000 1.494 764 P CA -0.414 62.614 63.100 -0.120 0.000 0.961 764 P CB -0.130 31.485 31.700 -0.142 0.000 1.493 765 L N 0.652 121.868 121.223 -0.013 0.000 2.363 765 L HA 0.302 4.642 4.340 0.001 0.000 0.286 765 L C -0.308 176.694 176.870 0.221 0.000 1.106 765 L CA -0.263 54.608 54.840 0.053 0.000 0.859 765 L CB -1.138 40.962 42.059 0.068 0.000 1.223 765 L HN -0.090 nan 8.230 nan 0.000 0.446 766 F N 2.577 122.545 119.950 0.029 0.000 2.378 766 F HA 0.309 4.837 4.527 0.001 0.000 0.319 766 F C 0.929 176.739 175.800 0.018 0.000 1.155 766 F CA -0.654 57.362 58.000 0.026 0.000 1.157 766 F CB 1.566 40.587 39.000 0.035 0.000 1.252 766 F HN 0.371 nan 8.300 nan 0.000 0.550 767 T N 1.969 116.623 114.554 0.168 0.000 3.103 767 T HA 0.390 4.741 4.350 0.001 0.000 0.352 767 T C -1.132 173.566 174.700 -0.003 0.000 1.048 767 T CA -0.507 61.635 62.100 0.069 0.000 1.175 767 T CB -0.105 68.794 68.868 0.051 0.000 1.029 767 T HN 0.250 nan 8.240 nan 0.000 0.498 768 V N 5.468 125.370 119.914 -0.019 0.000 2.546 768 V HA 0.512 4.632 4.120 0.001 0.000 0.284 768 V C 0.295 176.338 176.094 -0.084 0.000 1.050 768 V CA -0.434 61.824 62.300 -0.071 0.000 0.981 768 V CB 1.300 33.030 31.823 -0.155 0.000 0.990 768 V HN 0.703 nan 8.190 nan 0.000 0.474 769 K N 3.167 123.505 120.400 -0.102 0.000 2.376 769 K HA 0.842 5.162 4.320 0.001 0.000 0.257 769 K C -0.527 175.949 176.600 -0.207 0.000 0.939 769 K CA -0.343 55.857 56.287 -0.145 0.000 0.809 769 K CB 2.282 34.691 32.500 -0.152 0.000 1.121 769 K HN 0.859 nan 8.250 nan 0.000 0.425 770 A N 2.123 124.800 122.820 -0.239 0.000 2.568 770 A HA 0.658 4.979 4.320 0.001 0.000 0.291 770 A C -1.992 175.414 177.584 -0.297 0.000 1.159 770 A CA -0.704 51.157 52.037 -0.293 0.000 0.679 770 A CB 0.783 19.719 19.000 -0.106 0.000 1.285 770 A HN 0.515 nan 8.150 nan 0.000 0.428 771 Y N -0.474 119.811 120.300 -0.026 0.000 2.341 771 Y HA 0.637 5.187 4.550 0.001 0.000 0.337 771 Y C -0.304 175.582 175.900 -0.022 0.000 1.014 771 Y CA -0.973 57.114 58.100 -0.021 0.000 1.111 771 Y CB 1.757 40.225 38.460 0.014 0.000 1.194 771 Y HN 0.533 nan 8.280 nan 0.000 0.462 772 L N 6.672 127.979 121.223 0.139 0.000 2.343 772 L HA 0.653 4.993 4.340 0.001 0.000 0.278 772 L C -2.878 173.999 176.870 0.011 0.000 0.996 772 L CA -2.542 52.307 54.840 0.015 0.000 0.831 772 L CB 1.790 43.744 42.059 -0.175 0.000 1.232 772 L HN 0.292 nan 8.230 nan 0.000 0.413 773 P HA 0.021 nan 4.420 nan 0.000 0.261 773 P C 1.030 178.269 177.300 -0.101 0.000 1.203 773 P CA 0.046 63.101 63.100 -0.075 0.000 0.767 773 P CB 0.733 32.425 31.700 -0.015 0.000 0.785 774 V N 3.757 123.474 119.914 -0.328 0.000 2.370 774 V HA -0.283 3.837 4.120 0.001 0.000 0.252 774 V C 2.017 178.146 176.094 0.060 0.000 1.068 774 V CA 2.335 64.410 62.300 -0.374 0.000 1.061 774 V CB -1.045 30.336 31.823 -0.736 0.000 0.656 774 V HN 0.718 nan 8.190 nan 0.000 0.455 775 N N -0.199 118.504 118.700 0.005 0.000 2.515 775 N HA -0.113 4.627 4.740 0.001 0.000 0.191 775 N C 1.114 176.644 175.510 0.032 0.000 1.182 775 N CA 0.740 53.815 53.050 0.041 0.000 0.879 775 N CB 0.116 38.591 38.487 -0.018 0.000 0.984 775 N HN 0.537 nan 8.380 nan 0.000 0.453 776 E N -0.194 120.078 120.200 0.120 0.000 2.601 776 E HA 0.054 4.404 4.350 0.001 0.000 0.219 776 E C 0.487 177.214 176.600 0.212 0.000 0.964 776 E CA 0.115 56.589 56.400 0.122 0.000 1.050 776 E CB 0.623 30.366 29.700 0.071 0.000 1.068 776 E HN 0.464 nan 8.360 nan 0.000 0.496 777 S N -0.303 115.586 115.700 0.315 0.000 2.605 777 S HA 0.181 4.651 4.470 0.001 0.000 0.217 777 S C 0.546 175.368 174.600 0.370 0.000 0.958 777 S CA -0.525 57.838 58.200 0.272 0.000 0.919 777 S CB -0.687 62.654 63.200 0.233 0.000 0.780 777 S HN 0.026 nan 8.310 nan 0.000 0.507 778 F N 2.854 122.883 119.950 0.132 0.000 2.533 778 F HA 0.422 4.950 4.527 0.001 0.000 0.378 778 F C 1.719 177.593 175.800 0.122 0.000 1.070 778 F CA 0.638 58.707 58.000 0.114 0.000 1.172 778 F CB 0.077 39.127 39.000 0.083 0.000 1.085 778 F HN 0.379 nan 8.300 nan 0.000 0.552 779 G N 3.418 112.331 108.800 0.188 0.000 2.160 779 G HA2 -0.393 3.567 3.960 0.001 0.000 0.251 779 G HA3 -0.393 3.567 3.960 0.001 0.000 0.251 779 G C 0.716 175.709 174.900 0.155 0.000 1.008 779 G CA 0.286 45.469 45.100 0.137 0.000 0.724 779 G HN 0.677 nan 8.290 nan 0.000 0.514 780 F N 1.632 121.606 119.950 0.041 0.000 2.043 780 F HA -0.117 4.410 4.527 0.001 0.000 0.297 780 F C 2.609 178.404 175.800 -0.008 0.000 1.121 780 F CA 2.950 60.966 58.000 0.026 0.000 1.199 780 F CB -0.732 38.281 39.000 0.022 0.000 0.968 780 F HN 0.167 nan 8.300 nan 0.000 0.478 781 T N 0.190 114.660 114.554 -0.140 0.000 2.684 781 T HA -0.167 4.184 4.350 0.001 0.000 0.267 781 T C 2.164 176.740 174.700 -0.208 0.000 1.036 781 T CA 1.627 63.570 62.100 -0.262 0.000 1.148 781 T CB -1.384 67.422 68.868 -0.103 0.000 0.863 781 T HN 0.500 nan 8.240 nan 0.000 0.436 782 G N 1.310 110.051 108.800 -0.099 0.000 2.513 782 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 782 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 782 G C 1.455 176.305 174.900 -0.083 0.000 1.160 782 G CA 1.000 46.063 45.100 -0.062 0.000 0.767 782 G HN 0.552 nan 8.290 nan 0.000 0.571 783 E N -0.527 119.611 120.200 -0.104 0.000 2.216 783 E HA 0.031 4.382 4.350 0.001 0.000 0.192 783 E C 2.309 178.805 176.600 -0.173 0.000 0.988 783 E CA 0.174 56.515 56.400 -0.098 0.000 0.834 783 E CB -0.057 29.618 29.700 -0.042 0.000 0.772 783 E HN 0.348 nan 8.360 nan 0.000 0.479 784 L N 1.153 122.175 121.223 -0.335 0.000 2.291 784 L HA -0.060 4.281 4.340 0.001 0.000 0.214 784 L C 2.208 178.955 176.870 -0.204 0.000 1.120 784 L CA 1.260 55.882 54.840 -0.363 0.000 0.799 784 L CB -0.203 41.466 42.059 -0.651 0.000 0.925 784 L HN -0.112 nan 8.230 nan 0.000 0.446 785 R N -0.394 120.008 120.500 -0.163 0.000 2.070 785 R HA -0.177 4.164 4.340 0.001 0.000 0.232 785 R C 2.165 178.427 176.300 -0.062 0.000 1.138 785 R CA 1.827 57.871 56.100 -0.094 0.000 0.936 785 R CB -0.666 29.592 30.300 -0.070 0.000 0.839 785 R HN 0.315 nan 8.270 nan 0.000 0.429 786 Q N 0.311 120.078 119.800 -0.054 0.000 2.045 786 Q HA -0.059 4.282 4.340 0.001 0.000 0.206 786 Q C 2.077 178.060 176.000 -0.029 0.000 0.991 786 Q CA 2.321 58.105 55.803 -0.031 0.000 0.851 786 Q CB -0.975 27.750 28.738 -0.022 0.000 0.911 786 Q HN 0.466 nan 8.270 nan 0.000 0.418 787 A N 0.401 123.195 122.820 -0.043 0.000 1.852 787 A HA -0.204 4.117 4.320 0.001 0.000 0.217 787 A C 2.021 179.591 177.584 -0.023 0.000 1.215 787 A CA 2.673 54.691 52.037 -0.032 0.000 0.641 787 A CB -1.338 17.633 19.000 -0.048 0.000 0.838 787 A HN 0.528 nan 8.150 nan 0.000 0.450 788 T N -3.366 111.165 114.554 -0.039 0.000 3.366 788 T HA 0.430 4.780 4.350 0.001 0.000 0.249 788 T C 1.127 175.819 174.700 -0.012 0.000 1.028 788 T CA 0.892 62.978 62.100 -0.023 0.000 0.938 788 T CB -0.541 68.307 68.868 -0.034 0.000 1.046 788 T HN 1.866 nan 8.240 nan 0.000 0.587 789 G N 0.787 109.582 108.800 -0.010 0.000 2.212 789 G HA2 -0.043 3.918 3.960 0.001 0.000 0.267 789 G HA3 -0.043 3.918 3.960 0.001 0.000 0.267 789 G C 1.127 176.029 174.900 0.004 0.000 1.002 789 G CA 0.361 45.461 45.100 0.000 0.000 0.729 789 G HN 1.876 nan 8.290 nan 0.000 0.517 790 G N -1.502 107.292 108.800 -0.010 0.000 2.162 790 G HA2 -0.332 3.628 3.960 0.001 0.000 0.260 790 G HA3 -0.332 3.628 3.960 0.001 0.000 0.260 790 G C 0.930 175.832 174.900 0.003 0.000 0.976 790 G CA 1.345 46.440 45.100 -0.008 0.000 0.655 790 G HN 1.005 nan 8.290 nan 0.000 0.533 791 Q N -0.179 119.629 119.800 0.014 0.000 2.398 791 Q HA 0.500 4.840 4.340 0.001 0.000 0.204 791 Q C 1.606 177.624 176.000 0.029 0.000 0.932 791 Q CA 0.587 56.410 55.803 0.032 0.000 0.916 791 Q CB 0.349 29.116 28.738 0.048 0.000 1.024 791 Q HN 0.858 nan 8.270 nan 0.000 0.504 792 A N 1.200 124.029 122.820 0.015 0.000 2.440 792 A HA 0.257 4.577 4.320 0.001 0.000 0.251 792 A C -0.856 176.774 177.584 0.075 0.000 1.089 792 A CA -0.130 51.921 52.037 0.023 0.000 0.779 792 A CB -0.012 18.965 19.000 -0.039 0.000 1.022 792 A HN 0.302 nan 8.150 nan 0.000 0.492 793 F N 5.369 125.280 119.950 -0.066 0.000 2.359 793 F HA 0.507 5.034 4.527 0.001 0.000 0.370 793 F C -2.574 173.199 175.800 -0.046 0.000 1.077 793 F CA -3.058 54.902 58.000 -0.068 0.000 1.136 793 F CB 1.198 40.155 39.000 -0.072 0.000 1.387 793 F HN 0.283 nan 8.300 nan 0.000 0.468 794 P HA 0.184 nan 4.420 nan 0.000 0.272 794 P C -1.495 175.430 177.300 -0.624 0.000 1.223 794 P CA -0.066 62.801 63.100 -0.388 0.000 0.784 794 P CB 0.741 32.326 31.700 -0.192 0.000 0.923 795 Q N 2.028 121.607 119.800 -0.368 0.000 2.364 795 Q HA 0.538 4.879 4.340 0.001 0.000 0.251 795 Q C -1.732 174.134 176.000 -0.223 0.000 0.927 795 Q CA -0.520 55.079 55.803 -0.341 0.000 0.924 795 Q CB 1.014 29.552 28.738 -0.333 0.000 1.419 795 Q HN 0.481 nan 8.270 nan 0.000 0.427 796 M N 1.610 121.061 119.600 -0.248 0.000 2.470 796 M HA 0.820 5.300 4.480 0.001 0.000 0.285 796 M C -1.862 174.255 176.300 -0.305 0.000 1.213 796 M CA -1.006 54.131 55.300 -0.270 0.000 0.901 796 M CB 2.305 34.681 32.600 -0.373 0.000 1.718 796 M HN 0.306 nan 8.290 nan 0.000 0.469 797 V N 1.964 121.777 119.914 -0.168 0.000 3.130 797 V HA 0.653 4.774 4.120 0.001 0.000 0.310 797 V C -1.559 174.686 176.094 0.252 0.000 1.158 797 V CA -0.729 61.552 62.300 -0.033 0.000 1.029 797 V CB 2.661 34.476 31.823 -0.014 0.000 1.057 797 V HN 0.832 nan 8.190 nan 0.000 0.436 798 F N 3.245 123.347 119.950 0.254 0.000 2.543 798 F HA 0.314 4.841 4.527 0.001 0.000 0.375 798 F C 0.689 176.535 175.800 0.077 0.000 1.075 798 F CA 0.742 58.883 58.000 0.235 0.000 1.225 798 F CB 1.137 40.172 39.000 0.059 0.000 1.099 798 F HN 0.777 nan 8.300 nan 0.000 0.561 799 D N 2.883 122.722 120.400 -0.935 0.000 2.943 799 D HA 0.125 4.766 4.640 0.001 0.000 0.282 799 D C -0.229 175.567 176.300 -0.841 0.000 1.148 799 D CA 1.228 54.834 54.000 -0.658 0.000 1.006 799 D CB 0.211 40.812 40.800 -0.331 0.000 1.168 799 D HN 0.778 nan 8.370 nan 0.000 0.450 800 H N -4.145 114.207 119.070 -1.196 0.000 2.928 800 H HA 0.512 5.068 4.556 0.001 0.000 0.285 800 H C -1.428 173.522 175.328 -0.631 0.000 1.438 800 H CA -1.428 54.189 56.048 -0.719 0.000 1.176 800 H CB 0.510 30.038 29.762 -0.389 0.000 1.864 800 H HN -0.015 nan 8.280 nan 0.000 0.567 801 W N 0.859 122.004 121.300 -0.258 0.000 2.529 801 W HA 0.545 5.206 4.660 0.001 0.000 0.321 801 W C -0.281 176.017 176.519 -0.368 0.000 1.047 801 W CA -0.866 56.349 57.345 -0.217 0.000 1.216 801 W CB 2.288 31.752 29.460 0.005 0.000 1.357 801 W HN 0.500 nan 8.180 nan 0.000 0.489 802 S N 1.859 117.499 115.700 -0.099 0.000 2.456 802 S HA 0.411 4.882 4.470 0.001 0.000 0.316 802 S C -0.278 174.359 174.600 0.061 0.000 1.089 802 S CA -0.527 57.612 58.200 -0.101 0.000 1.101 802 S CB 0.487 63.574 63.200 -0.190 0.000 0.995 802 S HN 0.328 nan 8.310 nan 0.000 0.468 803 T N 6.822 121.413 114.554 0.062 0.000 2.743 803 T HA 0.234 4.585 4.350 0.001 0.000 0.290 803 T C 0.342 175.077 174.700 0.058 0.000 0.908 803 T CA -0.192 61.953 62.100 0.074 0.000 1.092 803 T CB -0.360 68.542 68.868 0.056 0.000 0.882 803 T HN 0.532 nan 8.240 nan 0.000 0.531 804 L N 2.784 124.049 121.223 0.070 0.000 2.456 804 L HA 0.214 4.554 4.340 0.001 0.000 0.272 804 L C 1.849 178.735 176.870 0.027 0.000 1.189 804 L CA -0.311 54.558 54.840 0.047 0.000 0.846 804 L CB 0.123 42.208 42.059 0.044 0.000 1.111 804 L HN 0.766 nan 8.230 nan 0.000 0.475 805 G N 1.812 110.624 108.800 0.019 0.000 2.394 805 G HA2 -0.141 3.820 3.960 0.001 0.000 0.215 805 G HA3 -0.141 3.820 3.960 0.001 0.000 0.215 805 G C 0.897 175.796 174.900 -0.000 0.000 1.165 805 G CA 0.440 45.546 45.100 0.010 0.000 0.784 805 G HN 0.713 nan 8.290 nan 0.000 0.535 806 S N 0.469 116.166 115.700 -0.005 0.000 2.563 806 S HA 0.104 4.574 4.470 0.001 0.000 0.269 806 S C -0.170 174.416 174.600 -0.022 0.000 1.364 806 S CA -0.094 58.097 58.200 -0.015 0.000 1.010 806 S CB 1.077 64.264 63.200 -0.023 0.000 0.877 806 S HN 0.235 nan 8.310 nan 0.000 0.549 807 D N 1.440 121.824 120.400 -0.026 0.000 2.339 807 D HA 0.278 4.918 4.640 0.001 0.000 0.241 807 D C -1.163 175.112 176.300 -0.042 0.000 1.183 807 D CA -2.532 51.452 54.000 -0.027 0.000 0.859 807 D CB 1.094 41.883 40.800 -0.019 0.000 1.067 807 D HN 0.244 nan 8.370 nan 0.000 0.484 808 P HA -0.116 nan 4.420 nan 0.000 0.226 808 P C 1.250 178.512 177.300 -0.065 0.000 1.146 808 P CA 0.707 63.758 63.100 -0.082 0.000 0.773 808 P CB 0.332 31.998 31.700 -0.057 0.000 0.772 809 L N -0.807 120.400 121.223 -0.026 0.000 2.375 809 L HA 0.117 4.458 4.340 0.001 0.000 0.215 809 L C 1.094 177.952 176.870 -0.020 0.000 1.108 809 L CA 0.318 55.153 54.840 -0.009 0.000 0.830 809 L CB -0.648 41.422 42.059 0.019 0.000 0.959 809 L HN -0.055 nan 8.230 nan 0.000 0.457 810 D N 0.876 121.259 120.400 -0.029 0.000 2.365 810 D HA 0.134 4.774 4.640 0.001 0.000 0.237 810 D C -1.708 174.566 176.300 -0.043 0.000 1.190 810 D CA -2.231 51.752 54.000 -0.029 0.000 0.867 810 D CB 1.516 42.302 40.800 -0.023 0.000 1.050 810 D HN -0.179 nan 8.370 nan 0.000 0.491 811 P HA -0.216 nan 4.420 nan 0.000 0.217 811 P C 1.211 178.483 177.300 -0.047 0.000 1.158 811 P CA 2.103 65.175 63.100 -0.048 0.000 0.887 811 P CB -0.001 31.679 31.700 -0.034 0.000 0.792 812 T N -3.777 110.757 114.554 -0.034 0.000 2.995 812 T HA -0.033 4.318 4.350 0.001 0.000 0.269 812 T C 1.113 175.793 174.700 -0.033 0.000 1.091 812 T CA 0.513 62.594 62.100 -0.030 0.000 1.128 812 T CB -1.036 67.820 68.868 -0.021 0.000 0.891 812 T HN 0.231 nan 8.240 nan 0.000 0.492 813 S N 1.123 116.800 115.700 -0.038 0.000 2.598 813 S HA 0.188 4.659 4.470 0.001 0.000 0.256 813 S C 1.361 175.932 174.600 -0.049 0.000 1.350 813 S CA -0.784 57.394 58.200 -0.038 0.000 0.984 813 S CB 0.742 63.918 63.200 -0.040 0.000 0.930 813 S HN 0.127 nan 8.310 nan 0.000 0.577 814 K N 1.157 121.532 120.400 -0.042 0.000 2.002 814 K HA -0.028 4.293 4.320 0.001 0.000 0.209 814 K C 2.527 179.079 176.600 -0.081 0.000 1.048 814 K CA 1.667 57.927 56.287 -0.045 0.000 0.930 814 K CB -1.527 30.960 32.500 -0.022 0.000 0.714 814 K HN 0.758 nan 8.250 nan 0.000 0.438 815 A N 1.152 123.917 122.820 -0.091 0.000 1.858 815 A HA -0.065 4.256 4.320 0.001 0.000 0.216 815 A C 2.530 179.986 177.584 -0.214 0.000 1.190 815 A CA 2.111 54.054 52.037 -0.157 0.000 0.617 815 A CB -1.307 17.622 19.000 -0.119 0.000 0.827 815 A HN 0.387 nan 8.150 nan 0.000 0.443 816 G N -0.515 108.193 108.800 -0.152 0.000 2.475 816 G HA2 -0.308 3.653 3.960 0.001 0.000 0.220 816 G HA3 -0.308 3.653 3.960 0.001 0.000 0.220 816 G C 1.432 176.233 174.900 -0.164 0.000 1.125 816 G CA 1.319 46.327 45.100 -0.153 0.000 0.755 816 G HN 0.709 nan 8.290 nan 0.000 0.565 817 E N -0.050 120.066 120.200 -0.140 0.000 2.047 817 E HA -0.103 4.247 4.350 0.001 0.000 0.191 817 E C 2.511 179.011 176.600 -0.167 0.000 0.987 817 E CA 0.709 57.037 56.400 -0.119 0.000 0.799 817 E CB -0.105 29.545 29.700 -0.083 0.000 0.752 817 E HN 0.344 nan 8.360 nan 0.000 0.449 818 I N 0.971 121.399 120.570 -0.236 0.000 2.163 818 I HA -0.243 3.927 4.170 0.001 0.000 0.243 818 I C 2.493 178.343 176.117 -0.446 0.000 1.085 818 I CA 0.951 62.054 61.300 -0.328 0.000 1.347 818 I CB -1.112 36.572 38.000 -0.527 0.000 1.044 818 I HN 0.137 nan 8.210 nan 0.000 0.408 819 V N 0.976 120.524 119.914 -0.609 0.000 2.332 819 V HA -0.268 3.853 4.120 0.001 0.000 0.248 819 V C 2.560 178.477 176.094 -0.296 0.000 1.055 819 V CA 1.572 63.441 62.300 -0.718 0.000 1.038 819 V CB -0.779 30.680 31.823 -0.607 0.000 0.651 819 V HN 0.322 nan 8.190 nan 0.000 0.450 820 L N 1.007 122.115 121.223 -0.191 0.000 1.994 820 L HA -0.104 4.236 4.340 0.001 0.000 0.208 820 L C 2.502 179.341 176.870 -0.052 0.000 1.071 820 L CA 2.491 57.277 54.840 -0.090 0.000 0.745 820 L CB -1.178 40.837 42.059 -0.073 0.000 0.892 820 L HN 0.214 nan 8.230 nan 0.000 0.431 821 A N -0.255 122.526 122.820 -0.066 0.000 1.873 821 A HA -0.226 4.095 4.320 0.001 0.000 0.218 821 A C 2.481 180.068 177.584 0.006 0.000 1.193 821 A CA 2.678 54.697 52.037 -0.030 0.000 0.629 821 A CB -1.499 17.479 19.000 -0.036 0.000 0.826 821 A HN 0.660 nan 8.150 nan 0.000 0.447 822 A N -0.622 122.211 122.820 0.022 0.000 1.873 822 A HA -0.232 4.089 4.320 0.001 0.000 0.218 822 A C 2.261 179.957 177.584 0.187 0.000 1.193 822 A CA 1.832 53.958 52.037 0.148 0.000 0.629 822 A CB -0.602 18.618 19.000 0.367 0.000 0.826 822 A HN 0.556 nan 8.150 nan 0.000 0.447 823 R N -0.688 119.911 120.500 0.164 0.000 2.096 823 R HA -0.186 4.155 4.340 0.001 0.000 0.240 823 R C 2.403 178.780 176.300 0.130 0.000 1.139 823 R CA 2.004 58.207 56.100 0.170 0.000 0.952 823 R CB -0.313 30.045 30.300 0.095 0.000 0.854 823 R HN 0.553 nan 8.270 nan 0.000 0.436 824 K N 0.136 120.578 120.400 0.070 0.000 2.026 824 K HA -0.183 4.138 4.320 0.001 0.000 0.208 824 K C 2.200 178.829 176.600 0.049 0.000 1.048 824 K CA 1.326 57.642 56.287 0.049 0.000 0.929 824 K CB -0.094 32.419 32.500 0.022 0.000 0.713 824 K HN 0.031 nan 8.250 nan 0.000 0.439 825 R N -0.060 120.456 120.500 0.027 0.000 2.103 825 R HA -0.177 4.163 4.340 0.001 0.000 0.242 825 R C 1.916 178.205 176.300 -0.019 0.000 1.142 825 R CA 1.646 57.731 56.100 -0.025 0.000 0.960 825 R CB -0.156 30.094 30.300 -0.084 0.000 0.858 825 R HN 0.337 nan 8.270 nan 0.000 0.439 826 H N -0.955 118.155 119.070 0.066 0.000 2.556 826 H HA 0.084 4.641 4.556 0.001 0.000 0.268 826 H C 0.832 176.187 175.328 0.045 0.000 0.996 826 H CA 1.055 57.138 56.048 0.059 0.000 1.157 826 H CB 0.239 30.045 29.762 0.073 0.000 1.355 826 H HN 0.579 nan 8.280 nan 0.000 0.597 827 G N 1.236 110.123 108.800 0.145 0.000 2.246 827 G HA2 -0.295 3.665 3.960 0.001 0.000 0.273 827 G HA3 -0.295 3.665 3.960 0.001 0.000 0.273 827 G C 0.233 175.186 174.900 0.088 0.000 1.055 827 G CA 0.510 45.666 45.100 0.093 0.000 0.851 827 G HN 0.272 nan 8.290 nan 0.000 0.500 828 M N -1.057 118.607 119.600 0.106 0.000 2.494 828 M HA 0.577 5.057 4.480 0.001 0.000 0.300 828 M C 0.575 176.912 176.300 0.062 0.000 1.189 828 M CA -0.979 54.371 55.300 0.083 0.000 0.982 828 M CB 0.809 33.470 32.600 0.101 0.000 1.534 828 M HN -0.071 nan 8.290 nan 0.000 0.488 829 K N 1.738 122.167 120.400 0.049 0.000 2.472 829 K HA -0.035 4.285 4.320 0.001 0.000 0.280 829 K C 0.686 177.308 176.600 0.036 0.000 1.028 829 K CA 0.424 56.731 56.287 0.033 0.000 1.045 829 K CB 0.081 32.595 32.500 0.023 0.000 0.902 829 K HN 0.541 nan 8.250 nan 0.000 0.478 830 E N 1.653 121.868 120.200 0.026 0.000 2.219 830 E HA -0.195 4.156 4.350 0.001 0.000 0.198 830 E C -0.348 176.259 176.600 0.013 0.000 0.998 830 E CA 1.207 57.619 56.400 0.019 0.000 0.818 830 E CB 0.076 29.782 29.700 0.009 0.000 0.741 830 E HN 0.512 nan 8.360 nan 0.000 0.477 831 E N 0.283 120.490 120.200 0.013 0.000 2.242 831 E HA 0.215 4.565 4.350 0.001 0.000 0.275 831 E C -0.772 175.844 176.600 0.027 0.000 1.002 831 E CA -0.467 55.939 56.400 0.010 0.000 0.841 831 E CB 1.781 31.482 29.700 0.002 0.000 1.109 831 E HN -0.184 nan 8.360 nan 0.000 0.394 832 V N 3.979 123.913 119.914 0.033 0.000 2.508 832 V HA 0.179 4.299 4.120 0.001 0.000 0.281 832 V C -1.968 174.171 176.094 0.075 0.000 1.041 832 V CA -1.533 60.806 62.300 0.065 0.000 1.016 832 V CB 0.267 32.132 31.823 0.070 0.000 0.984 832 V HN 0.626 nan 8.190 nan 0.000 0.478 833 P HA 0.188 nan 4.420 nan 0.000 0.264 833 P C 0.420 177.796 177.300 0.127 0.000 1.193 833 P CA 0.331 63.476 63.100 0.076 0.000 0.763 833 P CB 0.450 32.207 31.700 0.096 0.000 0.810 834 G N 2.662 111.483 108.800 0.036 0.000 2.599 834 G HA2 0.064 4.025 3.960 0.001 0.000 0.264 834 G HA3 0.064 4.025 3.960 0.001 0.000 0.264 834 G C 0.898 175.879 174.900 0.135 0.000 1.200 834 G CA -0.665 44.472 45.100 0.062 0.000 0.896 834 G HN 0.724 nan 8.290 nan 0.000 0.536 835 W N -0.175 121.207 121.300 0.135 0.000 2.374 835 W HA -0.130 4.530 4.660 0.001 0.000 0.288 835 W C 1.517 178.137 176.519 0.169 0.000 1.218 835 W CA 0.909 58.381 57.345 0.211 0.000 1.245 835 W CB -0.701 28.846 29.460 0.145 0.000 1.126 835 W HN 0.498 nan 8.180 nan 0.000 0.545 836 Q N 1.319 120.701 119.800 -0.697 0.000 2.217 836 Q HA -0.235 4.106 4.340 0.001 0.000 0.209 836 Q C 1.953 177.824 176.000 -0.216 0.000 0.988 836 Q CA 2.632 58.052 55.803 -0.638 0.000 0.878 836 Q CB -0.564 27.738 28.738 -0.727 0.000 0.909 836 Q HN 0.378 nan 8.270 nan 0.000 0.424 837 E N -1.291 118.768 120.200 -0.234 0.000 2.153 837 E HA -0.153 4.197 4.350 0.001 0.000 0.194 837 E C 0.869 177.273 176.600 -0.327 0.000 0.988 837 E CA 1.064 57.251 56.400 -0.355 0.000 0.811 837 E CB 0.055 29.389 29.700 -0.610 0.000 0.746 837 E HN 0.548 nan 8.360 nan 0.000 0.466 838 Y N -2.255 118.146 120.300 0.169 0.000 2.497 838 Y HA 0.123 4.673 4.550 0.001 0.000 0.265 838 Y C 0.650 176.687 175.900 0.228 0.000 1.111 838 Y CA -0.488 57.730 58.100 0.197 0.000 1.288 838 Y CB 0.142 38.762 38.460 0.267 0.000 1.082 838 Y HN -0.001 nan 8.280 nan 0.000 0.536 839 Y N 1.527 121.986 120.300 0.264 0.000 2.220 839 Y HA 0.061 4.611 4.550 0.001 0.000 0.347 839 Y C 0.634 176.593 175.900 0.098 0.000 1.311 839 Y CA -0.691 57.547 58.100 0.230 0.000 1.593 839 Y CB 0.278 38.943 38.460 0.342 0.000 1.419 839 Y HN -0.075 nan 8.280 nan 0.000 0.614 840 D N 1.190 121.517 120.400 -0.121 0.000 2.382 840 D HA 0.052 4.693 4.640 0.001 0.000 0.245 840 D C -0.632 175.726 176.300 0.097 0.000 1.120 840 D CA -0.021 53.936 54.000 -0.071 0.000 0.890 840 D CB 0.695 41.375 40.800 -0.201 0.000 1.201 840 D HN 0.247 nan 8.370 nan 0.000 0.433 841 K N 3.513 123.935 120.400 0.037 0.000 2.737 841 K HA 0.126 4.447 4.320 0.001 0.000 0.251 841 K C -0.383 176.239 176.600 0.037 0.000 1.280 841 K CA -0.281 56.025 56.287 0.032 0.000 1.219 841 K CB -0.543 31.954 32.500 -0.005 0.000 1.587 841 K HN 0.317 nan 8.250 nan 0.000 0.279 842 L N 0.000 121.274 121.223 0.084 0.000 2.949 842 L HA 0.000 4.341 4.340 0.001 0.000 0.249 842 L CA 0.000 54.885 54.840 0.075 0.000 0.813 842 L CB 0.000 42.124 42.059 0.108 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502