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 2pm8_1_A DATA FIRST_RESID 4 DATA SEQUENCE IIIATKNGKV RGMQLTVFGG TVTAFLGIPY AQPPLGRLRF KKPQSLTKWS DATA SEQUENCE DIWNATKYAN ScCQNIDQSF PGFHGSEMWN PNTDLSEDcL YLNVWIPAPK DATA SEQUENCE PKNATVLIWI YGGGFQTGTS SLHVYDGKFL ARVERVIVVS MNYRVGALGF DATA SEQUENCE LALPGNPEAP GNMGLFDQQL ALQWVQKNIA AFGGNPKSVT LFGESAGAAS DATA SEQUENCE VSLHLLSPGS HSLFTRAILQ SGSFNAPWAV TSLYEARNRT LNLAKLTGcS DATA SEQUENCE RENETEIIKc LRNKDPQEIL LNEAFVVPYG TPLSVNFGPT VDGDFLTDMP DATA SEQUENCE DILLELGQFK KTQILVGVNK DEGTAFLVYG APGFSKDNNS IITRKEFQEG DATA SEQUENCE LKIFFPGVSE FGKESILFHY TDWVDDQRPE NYREALGDVV GDYNFIcPAL DATA SEQUENCE EFTKKFSEWG NNAFFYYFEH RSSKLPWPEW MGVMHGYEIE FVFGLPLERR DATA SEQUENCE DXYTKAEEIL SRSIVKRWAN FAKYGNPQET QNQSTSWPVF KSTEQKYLTL DATA SEQUENCE NTESTRIMTK LRAQQcRFWT SFFPKVLEMT G 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.171 176.117 0.090 0.000 1.063 4 I CA 0.000 61.317 61.300 0.029 0.000 1.566 4 I CB 0.000 38.036 38.000 0.059 0.000 1.214 5 I N 6.083 126.726 120.570 0.122 0.000 2.493 5 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 5 I C -0.744 175.457 176.117 0.140 0.000 0.998 5 I CA -0.391 61.007 61.300 0.162 0.000 1.137 5 I CB 1.581 39.647 38.000 0.110 0.000 1.310 5 I HN 0.155 nan 8.210 nan 0.000 0.445 6 I N 4.837 125.496 120.570 0.149 0.000 2.533 6 I HA 0.481 4.650 4.170 -0.000 0.000 0.290 6 I C -0.209 175.882 176.117 -0.044 0.000 1.056 6 I CA -0.804 60.437 61.300 -0.099 0.000 1.057 6 I CB 1.877 39.529 38.000 -0.580 0.000 1.240 6 I HN 0.574 nan 8.210 nan 0.000 0.423 7 A N 4.669 127.434 122.820 -0.092 0.000 2.279 7 A HA 0.608 4.928 4.320 -0.000 0.000 0.306 7 A C 0.369 177.908 177.584 -0.075 0.000 1.300 7 A CA -0.286 51.725 52.037 -0.042 0.000 0.925 7 A CB 0.083 19.055 19.000 -0.047 0.000 1.152 7 A HN 0.772 nan 8.150 nan 0.000 0.544 8 T N -0.168 114.379 114.554 -0.012 0.000 2.945 8 T HA 0.369 4.719 4.350 -0.000 0.000 0.286 8 T C 0.794 175.416 174.700 -0.130 0.000 1.025 8 T CA -0.697 61.382 62.100 -0.034 0.000 1.039 8 T CB 1.069 70.029 68.868 0.153 0.000 1.068 8 T HN 0.543 nan 8.240 nan 0.000 0.497 9 K N 0.855 121.162 120.400 -0.154 0.000 2.444 9 K HA -0.153 4.167 4.320 -0.000 0.000 0.200 9 K C 0.941 177.400 176.600 -0.235 0.000 1.045 9 K CA 1.545 57.731 56.287 -0.168 0.000 0.934 9 K CB -0.194 32.218 32.500 -0.147 0.000 0.756 9 K HN 0.556 nan 8.250 nan 0.000 0.477 10 N N -1.276 117.200 118.700 -0.373 0.000 2.407 10 N HA 0.091 4.831 4.740 -0.000 0.000 0.182 10 N C 0.099 174.812 175.510 -1.329 0.000 1.079 10 N CA 0.524 53.114 53.050 -0.767 0.000 0.882 10 N CB 1.574 39.531 38.487 -0.883 0.000 1.106 10 N HN 0.182 nan 8.380 nan 0.000 0.461 11 G N -0.350 107.851 108.800 -0.998 0.000 2.336 11 G HA2 0.097 4.056 3.960 -0.000 0.000 0.300 11 G HA3 0.097 4.056 3.960 -0.000 0.000 0.300 11 G C -1.689 173.240 174.900 0.048 0.000 1.375 11 G CA -1.042 43.619 45.100 -0.732 0.000 0.885 11 G HN -0.063 nan 8.290 nan 0.000 0.599 12 K N -0.374 120.176 120.400 0.251 0.000 2.436 12 K HA 0.430 4.750 4.320 -0.000 0.000 0.275 12 K C 0.360 177.290 176.600 0.549 0.000 0.999 12 K CA -0.101 56.382 56.287 0.326 0.000 0.980 12 K CB 1.385 34.028 32.500 0.238 0.000 0.919 12 K HN 0.975 nan 8.250 nan 0.000 0.484 13 V N 0.012 120.213 119.914 0.479 0.000 2.656 13 V HA 0.502 4.622 4.120 -0.000 0.000 0.307 13 V C -0.599 175.797 176.094 0.504 0.000 1.051 13 V CA -1.138 61.509 62.300 0.578 0.000 0.893 13 V CB 1.753 34.007 31.823 0.719 0.000 0.999 13 V HN 0.790 nan 8.190 nan 0.000 0.426 14 R N 2.617 123.325 120.500 0.347 0.000 2.295 14 R HA 0.716 5.056 4.340 -0.000 0.000 0.324 14 R C 0.192 176.435 176.300 -0.095 0.000 0.968 14 R CA 0.138 56.316 56.100 0.130 0.000 0.837 14 R CB 1.420 31.755 30.300 0.058 0.000 1.133 14 R HN 1.156 nan 8.270 nan 0.000 0.450 15 G N 3.467 111.955 108.800 -0.519 0.000 2.753 15 G HA2 0.500 4.460 3.960 -0.000 0.000 0.285 15 G HA3 0.500 4.460 3.960 -0.000 0.000 0.285 15 G C -0.325 174.290 174.900 -0.475 0.000 1.344 15 G CA -0.807 43.750 45.100 -0.904 0.000 1.050 15 G HN 0.625 nan 8.290 nan 0.000 0.532 16 M N -1.643 117.715 119.600 -0.403 0.000 2.796 16 M HA 0.661 5.141 4.480 -0.000 0.000 0.303 16 M C -1.414 174.794 176.300 -0.154 0.000 1.240 16 M CA -0.839 54.329 55.300 -0.220 0.000 0.831 16 M CB 2.068 34.562 32.600 -0.175 0.000 1.750 16 M HN 0.361 nan 8.290 nan 0.000 0.484 17 Q N 1.858 121.603 119.800 -0.091 0.000 2.363 17 Q HA 0.600 4.940 4.340 -0.000 0.000 0.265 17 Q C -1.488 174.488 176.000 -0.039 0.000 1.032 17 Q CA -0.433 55.345 55.803 -0.042 0.000 0.746 17 Q CB 2.189 30.913 28.738 -0.024 0.000 1.237 17 Q HN 0.643 nan 8.270 nan 0.000 0.475 18 L N 1.090 122.298 121.223 -0.025 0.000 2.375 18 L HA 0.484 4.823 4.340 -0.000 0.000 0.271 18 L C 0.306 177.144 176.870 -0.052 0.000 1.107 18 L CA -0.675 54.138 54.840 -0.045 0.000 0.806 18 L CB 0.908 42.942 42.059 -0.041 0.000 1.146 18 L HN 0.383 nan 8.230 nan 0.000 0.447 19 T N 2.391 116.904 114.554 -0.069 0.000 2.729 19 T HA 0.456 4.805 4.350 -0.000 0.000 0.296 19 T C -0.144 174.478 174.700 -0.130 0.000 0.928 19 T CA -0.276 61.783 62.100 -0.067 0.000 1.045 19 T CB 0.753 69.595 68.868 -0.044 0.000 0.902 19 T HN 0.309 nan 8.240 nan 0.000 0.500 20 V N 4.544 124.376 119.914 -0.137 0.000 2.623 20 V HA 0.403 4.523 4.120 -0.000 0.000 0.304 20 V C -0.077 175.949 176.094 -0.114 0.000 1.054 20 V CA -1.211 60.913 62.300 -0.294 0.000 0.882 20 V CB 0.973 32.556 31.823 -0.400 0.000 1.002 20 V HN 1.040 nan 8.190 nan 0.000 0.424 21 F N 3.152 123.130 119.950 0.047 0.000 2.907 21 F HA -0.237 4.290 4.527 -0.000 0.000 0.244 21 F C 1.669 177.491 175.800 0.037 0.000 1.007 21 F CA 0.773 58.807 58.000 0.057 0.000 0.872 21 F CB -0.965 38.079 39.000 0.073 0.000 0.767 21 F HN 1.072 nan 8.300 nan 0.000 0.837 22 G N 0.013 108.917 108.800 0.174 0.000 2.258 22 G HA2 0.040 4.000 3.960 -0.000 0.000 0.274 22 G HA3 0.040 4.000 3.960 -0.000 0.000 0.274 22 G C 0.472 175.425 174.900 0.088 0.000 1.021 22 G CA 0.314 45.478 45.100 0.108 0.000 0.798 22 G HN 1.517 nan 8.290 nan 0.000 0.507 23 G N -2.579 106.270 108.800 0.082 0.000 2.706 23 G HA2 0.785 4.745 3.960 -0.000 0.000 0.307 23 G HA3 0.785 4.745 3.960 -0.000 0.000 0.307 23 G C -0.986 173.938 174.900 0.041 0.000 1.307 23 G CA 0.400 45.540 45.100 0.068 0.000 0.790 23 G HN 0.729 nan 8.290 nan 0.000 0.503 24 T N -0.217 114.364 114.554 0.045 0.000 2.861 24 T HA 0.649 4.999 4.350 -0.000 0.000 0.287 24 T C -0.788 173.942 174.700 0.050 0.000 1.003 24 T CA -0.277 61.843 62.100 0.034 0.000 0.977 24 T CB 1.824 70.714 68.868 0.037 0.000 0.996 24 T HN 0.475 nan 8.240 nan 0.000 0.448 25 V N 2.432 122.373 119.914 0.044 0.000 2.769 25 V HA 0.624 4.744 4.120 -0.000 0.000 0.312 25 V C -0.097 176.067 176.094 0.117 0.000 1.061 25 V CA -0.824 61.534 62.300 0.097 0.000 0.931 25 V CB 2.449 34.329 31.823 0.096 0.000 1.010 25 V HN 0.973 nan 8.190 nan 0.000 0.433 26 T N 3.164 117.826 114.554 0.180 0.000 2.779 26 T HA 0.738 5.088 4.350 -0.000 0.000 0.280 26 T C -0.211 174.622 174.700 0.221 0.000 0.987 26 T CA -0.295 61.907 62.100 0.170 0.000 0.966 26 T CB 1.454 70.468 68.868 0.244 0.000 0.933 26 T HN 0.963 nan 8.240 nan 0.000 0.442 27 A N 2.920 125.761 122.820 0.036 0.000 2.331 27 A HA 0.811 5.131 4.320 -0.000 0.000 0.320 27 A C -1.146 176.310 177.584 -0.214 0.000 1.138 27 A CA -0.688 51.293 52.037 -0.093 0.000 0.790 27 A CB 0.556 19.441 19.000 -0.191 0.000 1.206 27 A HN 0.724 nan 8.150 nan 0.000 0.470 28 F N 2.933 122.756 119.950 -0.211 0.000 2.359 28 F HA 0.414 4.941 4.527 -0.000 0.000 0.369 28 F C -0.124 175.533 175.800 -0.239 0.000 1.084 28 F CA -0.478 57.459 58.000 -0.104 0.000 1.096 28 F CB 1.066 40.109 39.000 0.070 0.000 1.335 28 F HN 0.370 nan 8.300 nan 0.000 0.457 29 L N 2.022 123.176 121.223 -0.115 0.000 2.334 29 L HA 0.640 4.980 4.340 -0.000 0.000 0.277 29 L C 1.060 177.950 176.870 0.033 0.000 1.075 29 L CA -0.962 53.802 54.840 -0.128 0.000 0.804 29 L CB 1.061 42.953 42.059 -0.278 0.000 1.174 29 L HN 0.805 nan 8.230 nan 0.000 0.438 30 G N 3.379 112.229 108.800 0.083 0.000 2.359 30 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.298 30 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.298 30 G C -0.226 174.752 174.900 0.130 0.000 1.030 30 G CA -0.257 44.902 45.100 0.099 0.000 1.149 30 G HN 0.484 nan 8.290 nan 0.000 0.512 31 I N 2.146 122.737 120.570 0.034 0.000 2.371 31 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 31 I C -1.360 174.648 176.117 -0.182 0.000 1.028 31 I CA -2.322 58.873 61.300 -0.174 0.000 1.345 31 I CB 1.232 39.099 38.000 -0.223 0.000 1.407 31 I HN 0.054 nan 8.210 nan 0.000 0.501 32 P HA -0.051 nan 4.420 nan 0.000 0.269 32 P C -0.704 176.385 177.300 -0.352 0.000 1.209 32 P CA 0.463 63.177 63.100 -0.643 0.000 0.776 32 P CB 0.306 31.483 31.700 -0.872 0.000 0.876 33 Y N 0.548 120.627 120.300 -0.369 0.000 2.590 33 Y HA 0.705 5.255 4.550 -0.000 0.000 0.263 33 Y C -0.135 175.729 175.900 -0.060 0.000 1.069 33 Y CA -0.484 57.503 58.100 -0.187 0.000 1.242 33 Y CB 0.249 38.525 38.460 -0.306 0.000 1.357 33 Y HN 0.453 nan 8.280 nan 0.000 0.556 34 A N 0.796 123.330 122.820 -0.477 0.000 2.569 34 A HA 0.470 4.789 4.320 -0.000 0.000 0.290 34 A C -1.390 176.024 177.584 -0.283 0.000 1.136 34 A CA -0.973 50.892 52.037 -0.286 0.000 0.710 34 A CB 1.424 20.220 19.000 -0.341 0.000 1.303 34 A HN 0.247 nan 8.150 nan 0.000 0.413 35 Q N 0.654 120.365 119.800 -0.148 0.000 2.296 35 Q HA 0.264 4.604 4.340 -0.000 0.000 0.262 35 Q C -2.236 173.673 176.000 -0.152 0.000 0.981 35 Q CA -1.601 54.136 55.803 -0.112 0.000 0.905 35 Q CB 0.369 29.079 28.738 -0.045 0.000 1.186 35 Q HN 0.302 nan 8.270 nan 0.000 0.399 36 P HA -0.020 nan 4.420 nan 0.000 0.258 36 P C -2.396 174.843 177.300 -0.101 0.000 1.187 36 P CA -0.675 62.342 63.100 -0.138 0.000 0.767 36 P CB 0.084 31.745 31.700 -0.064 0.000 0.770 37 P HA 0.088 nan 4.420 nan 0.000 0.241 37 P C -0.732 176.508 177.300 -0.100 0.000 1.760 37 P CA 0.419 63.457 63.100 -0.104 0.000 1.081 37 P CB 0.064 31.693 31.700 -0.117 0.000 1.975 38 L N 1.142 122.321 121.223 -0.074 0.000 2.329 38 L HA 0.562 4.902 4.340 -0.000 0.000 0.279 38 L C 1.560 178.397 176.870 -0.055 0.000 1.014 38 L CA 0.006 54.807 54.840 -0.065 0.000 0.814 38 L CB 1.490 43.526 42.059 -0.039 0.000 1.257 38 L HN 0.420 nan 8.230 nan 0.000 0.424 39 G N 2.891 111.654 108.800 -0.062 0.000 4.610 39 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.323 39 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.323 39 G C 1.150 176.033 174.900 -0.029 0.000 1.377 39 G CA 0.727 45.803 45.100 -0.039 0.000 1.023 39 G HN 0.757 nan 8.290 nan 0.000 0.755 40 R N 1.009 121.499 120.500 -0.017 0.000 2.100 40 R HA 0.394 4.734 4.340 -0.000 0.000 0.220 40 R C 2.750 179.049 176.300 -0.002 0.000 1.091 40 R CA 1.350 57.450 56.100 -0.001 0.000 0.986 40 R CB -0.462 29.839 30.300 0.002 0.000 0.888 40 R HN 0.514 nan 8.270 nan 0.000 0.444 41 L N 1.417 122.625 121.223 -0.025 0.000 2.156 41 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 41 L C 1.600 178.437 176.870 -0.055 0.000 1.095 41 L CA 0.334 55.154 54.840 -0.033 0.000 0.770 41 L CB -0.521 41.511 42.059 -0.046 0.000 0.914 41 L HN 0.200 nan 8.230 nan 0.000 0.439 42 R N 0.495 120.927 120.500 -0.113 0.000 2.474 42 R HA -0.221 4.119 4.340 -0.000 0.000 0.290 42 R C 0.037 176.240 176.300 -0.161 0.000 0.918 42 R CA 0.541 56.480 56.100 -0.270 0.000 1.130 42 R CB 0.055 30.109 30.300 -0.411 0.000 0.881 42 R HN 0.168 nan 8.270 nan 0.000 0.416 43 F N -0.134 119.776 119.950 -0.068 0.000 2.504 43 F HA -0.293 4.233 4.527 -0.001 0.000 0.597 43 F C 0.510 176.267 175.800 -0.072 0.000 0.505 43 F CA 1.369 59.323 58.000 -0.077 0.000 1.106 43 F CB -1.314 37.644 39.000 -0.070 0.000 1.874 43 F HN 0.593 nan 8.300 nan 0.000 0.260 44 K N 2.016 122.475 120.400 0.098 0.000 2.168 44 K HA 0.286 4.606 4.320 -0.000 0.000 0.258 44 K C 0.464 177.051 176.600 -0.022 0.000 1.010 44 K CA -0.551 55.748 56.287 0.021 0.000 0.929 44 K CB 0.533 33.032 32.500 -0.002 0.000 0.998 44 K HN 0.058 nan 8.250 nan 0.000 0.479 45 K N 2.538 122.892 120.400 -0.077 0.000 2.518 45 K HA 0.001 4.321 4.320 -0.000 0.000 0.276 45 K C -2.189 174.371 176.600 -0.067 0.000 0.974 45 K CA -1.002 55.210 56.287 -0.125 0.000 0.986 45 K CB -0.086 32.217 32.500 -0.329 0.000 0.901 45 K HN 0.365 nan 8.250 nan 0.000 0.497 46 P HA -0.043 nan 4.420 nan 0.000 0.266 46 P C -0.862 176.434 177.300 -0.006 0.000 1.215 46 P CA 0.032 63.130 63.100 -0.003 0.000 0.763 46 P CB 0.711 32.451 31.700 0.066 0.000 0.806 47 Q N 1.525 121.311 119.800 -0.023 0.000 2.354 47 Q HA 0.175 4.515 4.340 -0.000 0.000 0.244 47 Q C 0.984 176.991 176.000 0.012 0.000 0.969 47 Q CA -0.088 55.709 55.803 -0.010 0.000 0.885 47 Q CB 0.319 29.048 28.738 -0.015 0.000 1.241 47 Q HN 0.580 nan 8.270 nan 0.000 0.461 48 S N 0.690 116.408 115.700 0.030 0.000 2.587 48 S HA 0.295 4.765 4.470 -0.000 0.000 0.260 48 S C -0.136 174.496 174.600 0.053 0.000 1.353 48 S CA -0.661 57.572 58.200 0.054 0.000 0.995 48 S CB 0.442 63.674 63.200 0.052 0.000 0.912 48 S HN 0.441 nan 8.310 nan 0.000 0.568 49 L N 1.668 122.941 121.223 0.082 0.000 2.333 49 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 49 L C -0.017 176.925 176.870 0.120 0.000 1.004 49 L CA 0.010 54.914 54.840 0.107 0.000 0.820 49 L CB 1.474 43.624 42.059 0.151 0.000 1.247 49 L HN 0.943 nan 8.230 nan 0.000 0.416 50 T N 4.777 119.408 114.554 0.128 0.000 2.940 50 T HA 0.174 4.524 4.350 -0.000 0.000 0.309 50 T C 0.149 174.945 174.700 0.160 0.000 1.056 50 T CA -0.427 61.745 62.100 0.120 0.000 1.137 50 T CB 0.157 69.100 68.868 0.124 0.000 0.976 50 T HN 0.499 nan 8.240 nan 0.000 0.547 51 K N 1.457 121.882 120.400 0.042 0.000 2.286 51 K HA 0.178 4.498 4.320 -0.000 0.000 0.256 51 K C -0.458 176.221 176.600 0.130 0.000 0.999 51 K CA -0.439 55.795 56.287 -0.087 0.000 0.908 51 K CB 0.285 32.693 32.500 -0.154 0.000 0.981 51 K HN 0.843 nan 8.250 nan 0.000 0.500 52 W N -1.277 120.088 121.300 0.109 0.000 2.998 52 W HA 0.437 5.097 4.660 -0.000 0.000 0.335 52 W C -0.234 176.352 176.519 0.111 0.000 1.110 52 W CA -0.852 56.568 57.345 0.126 0.000 1.230 52 W CB 0.597 30.173 29.460 0.193 0.000 1.405 52 W HN 0.512 nan 8.180 nan 0.000 0.493 53 S N 0.504 116.368 115.700 0.273 0.000 2.517 53 S HA -0.021 4.449 4.470 -0.000 0.000 0.214 53 S C 0.509 175.238 174.600 0.215 0.000 0.991 53 S CA 0.651 58.949 58.200 0.164 0.000 0.906 53 S CB -0.505 62.754 63.200 0.097 0.000 0.789 53 S HN 0.657 nan 8.310 nan 0.000 0.513 54 D N 2.291 122.875 120.400 0.306 0.000 2.182 54 D HA 0.337 4.977 4.640 -0.000 0.000 0.284 54 D C 0.026 176.541 176.300 0.358 0.000 1.152 54 D CA -0.404 53.751 54.000 0.257 0.000 1.032 54 D CB -0.117 40.786 40.800 0.172 0.000 1.140 54 D HN 0.241 nan 8.370 nan 0.000 0.505 55 I N -1.726 119.004 120.570 0.266 0.000 2.533 55 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 55 I C -0.770 175.454 176.117 0.178 0.000 1.056 55 I CA -1.019 60.459 61.300 0.298 0.000 1.057 55 I CB 2.183 40.294 38.000 0.186 0.000 1.240 55 I HN 0.328 nan 8.210 nan 0.000 0.423 56 W N 5.602 126.934 121.300 0.054 0.000 2.272 56 W HA 0.235 4.894 4.660 -0.001 0.000 0.318 56 W C -0.317 176.205 176.519 0.005 0.000 1.255 56 W CA -0.092 57.184 57.345 -0.116 0.000 1.200 56 W CB 1.098 30.410 29.460 -0.248 0.000 1.170 56 W HN 0.471 nan 8.180 nan 0.000 0.549 57 N N 4.471 122.972 118.700 -0.331 0.000 3.229 57 N HA 0.175 4.915 4.740 -0.000 0.000 0.275 57 N C 0.300 175.815 175.510 0.009 0.000 1.225 57 N CA 0.017 52.976 53.050 -0.151 0.000 1.119 57 N CB 0.679 39.005 38.487 -0.268 0.000 1.392 57 N HN 0.369 nan 8.380 nan 0.000 0.520 58 A N 0.701 123.681 122.820 0.266 0.000 2.958 58 A HA 0.086 4.406 4.320 -0.000 0.000 0.247 58 A C 1.222 178.824 177.584 0.029 0.000 1.679 58 A CA -0.004 52.209 52.037 0.293 0.000 1.345 58 A CB -0.852 18.395 19.000 0.412 0.000 1.013 58 A HN 0.445 nan 8.150 nan 0.000 0.641 59 T N -3.734 110.794 114.554 -0.043 0.000 3.040 59 T HA 0.300 4.650 4.350 -0.000 0.000 0.266 59 T C 0.530 175.144 174.700 -0.144 0.000 1.005 59 T CA -0.023 62.000 62.100 -0.128 0.000 0.906 59 T CB 0.270 69.060 68.868 -0.130 0.000 1.082 59 T HN 0.367 nan 8.240 nan 0.000 0.531 60 K N 0.637 120.973 120.400 -0.107 0.000 2.166 60 K HA 0.540 4.860 4.320 -0.000 0.000 0.245 60 K C -1.152 175.409 176.600 -0.066 0.000 0.967 60 K CA -0.942 55.285 56.287 -0.100 0.000 0.863 60 K CB 1.095 33.555 32.500 -0.066 0.000 1.107 60 K HN 0.006 nan 8.250 nan 0.000 0.436 61 Y N 0.840 121.112 120.300 -0.046 0.000 2.480 61 Y HA 0.138 4.688 4.550 0.000 0.000 0.338 61 Y C 0.748 176.596 175.900 -0.086 0.000 1.220 61 Y CA -0.236 57.839 58.100 -0.040 0.000 1.430 61 Y CB 0.628 39.085 38.460 -0.004 0.000 1.311 61 Y HN 0.626 nan 8.280 nan 0.000 0.575 62 A N 2.911 125.771 122.820 0.067 0.000 2.274 62 A HA 0.419 4.739 4.320 -0.000 0.000 0.297 62 A C -0.101 177.440 177.584 -0.073 0.000 1.191 62 A CA -0.965 50.974 52.037 -0.163 0.000 0.889 62 A CB 0.209 18.887 19.000 -0.538 0.000 1.294 62 A HN 0.770 nan 8.150 nan 0.000 0.506 63 N N 0.954 119.598 118.700 -0.093 0.000 2.492 63 N HA 0.169 4.909 4.740 -0.000 0.000 0.262 63 N C -0.122 175.407 175.510 0.031 0.000 1.202 63 N CA 0.262 53.308 53.050 -0.006 0.000 0.926 63 N CB 0.505 39.008 38.487 0.026 0.000 1.078 63 N HN 0.498 nan 8.380 nan 0.000 0.454 64 S N 0.893 116.588 115.700 -0.008 0.000 2.585 64 S HA 0.171 4.641 4.470 -0.000 0.000 0.273 64 S C 0.579 175.177 174.600 -0.004 0.000 1.339 64 S CA -0.698 57.485 58.200 -0.028 0.000 1.028 64 S CB 0.557 63.712 63.200 -0.075 0.000 0.906 64 S HN 0.492 nan 8.310 nan 0.000 0.528 65 c N 1.607 120.203 118.600 -0.008 0.000 2.656 65 c HA 0.233 4.803 4.570 -0.000 0.000 0.391 65 c C 1.219 175.304 174.090 -0.009 0.000 1.300 65 c CA -1.084 55.246 56.329 0.000 0.000 2.302 65 c CB -0.684 41.830 42.510 0.006 0.000 2.655 65 c HN 0.847 nan 8.230 nan 0.000 0.656 66 C N 3.486 122.783 119.300 -0.005 0.000 2.563 66 C HA 0.349 4.809 4.460 -0.000 0.000 0.411 66 C C 0.341 175.340 174.990 0.016 0.000 1.386 66 C CA 0.286 59.303 59.018 -0.000 0.000 1.703 66 C CB -1.863 25.871 27.740 -0.010 0.000 2.596 66 C HN 0.946 nan 8.230 nan 0.000 0.605 67 Q N 2.491 122.303 119.800 0.020 0.000 2.594 67 Q HA 0.304 4.644 4.340 -0.000 0.000 0.278 67 Q C -1.654 174.366 176.000 0.032 0.000 0.961 67 Q CA -0.769 55.055 55.803 0.036 0.000 0.844 67 Q CB 0.817 29.571 28.738 0.027 0.000 1.475 67 Q HN 0.707 nan 8.270 nan 0.000 0.389 68 N N 1.374 120.099 118.700 0.041 0.000 2.518 68 N HA 0.258 4.998 4.740 -0.000 0.000 0.266 68 N C -0.593 174.938 175.510 0.035 0.000 1.196 68 N CA 0.056 53.128 53.050 0.036 0.000 0.947 68 N CB 0.664 39.171 38.487 0.033 0.000 1.098 68 N HN 0.375 nan 8.380 nan 0.000 0.450 69 I N 0.836 121.429 120.570 0.037 0.000 2.488 69 I HA 0.007 4.177 4.170 -0.000 0.000 0.299 69 I C 0.680 176.837 176.117 0.066 0.000 0.984 69 I CA -0.594 60.734 61.300 0.046 0.000 1.250 69 I CB 0.700 38.724 38.000 0.040 0.000 1.389 69 I HN 0.389 nan 8.210 nan 0.000 0.488 70 D N 4.216 124.674 120.400 0.096 0.000 2.401 70 D HA 0.039 4.678 4.640 -0.000 0.000 0.254 70 D C -0.043 176.344 176.300 0.144 0.000 1.192 70 D CA 0.568 54.657 54.000 0.148 0.000 0.885 70 D CB 0.669 41.601 40.800 0.221 0.000 1.147 70 D HN 0.484 nan 8.370 nan 0.000 0.478 71 Q N 1.687 121.551 119.800 0.107 0.000 2.135 71 Q HA 0.148 4.488 4.340 -0.000 0.000 0.222 71 Q C 1.064 177.051 176.000 -0.022 0.000 0.808 71 Q CA -0.220 55.618 55.803 0.059 0.000 1.049 71 Q CB 0.682 29.442 28.738 0.036 0.000 1.168 71 Q HN 0.404 nan 8.270 nan 0.000 0.483 72 S N -0.030 115.617 115.700 -0.087 0.000 2.406 72 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 72 S C 0.215 174.347 174.600 -0.781 0.000 1.020 72 S CA 0.792 58.678 58.200 -0.523 0.000 0.965 72 S CB 0.128 62.838 63.200 -0.817 0.000 0.798 72 S HN 0.300 nan 8.310 nan 0.000 0.488 73 F N 2.000 122.014 119.950 0.106 0.000 2.646 73 F HA 0.370 4.898 4.527 0.002 0.000 0.336 73 F C -2.859 173.016 175.800 0.125 0.000 1.437 73 F CA -2.690 55.362 58.000 0.087 0.000 1.142 73 F CB 0.540 39.604 39.000 0.107 0.000 1.530 73 F HN -0.127 nan 8.300 nan 0.000 0.591 74 P HA 0.175 nan 4.420 nan 0.000 0.267 74 P C 0.978 178.368 177.300 0.149 0.000 1.205 74 P CA 1.077 64.261 63.100 0.141 0.000 0.765 74 P CB 1.320 33.066 31.700 0.077 0.000 0.828 75 G N 2.491 111.370 108.800 0.132 0.000 2.217 75 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 75 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 75 G C -0.173 174.819 174.900 0.154 0.000 0.990 75 G CA -0.258 44.907 45.100 0.109 0.000 0.627 75 G HN 0.546 nan 8.290 nan 0.000 0.522 76 F N 2.379 122.335 119.950 0.010 0.000 2.445 76 F HA 0.658 5.185 4.527 -0.000 0.000 0.359 76 F C 1.357 177.108 175.800 -0.082 0.000 1.101 76 F CA -0.623 57.331 58.000 -0.076 0.000 1.177 76 F CB 0.845 39.759 39.000 -0.144 0.000 1.110 76 F HN 0.185 nan 8.300 nan 0.000 0.522 77 H N 4.309 122.992 119.070 -0.645 0.000 2.353 77 H HA -0.026 4.530 4.556 -0.000 0.000 0.300 77 H C 2.208 177.045 175.328 -0.819 0.000 1.090 77 H CA 2.028 57.714 56.048 -0.602 0.000 1.327 77 H CB -0.333 29.152 29.762 -0.462 0.000 1.383 77 H HN 0.808 nan 8.280 nan 0.000 0.508 78 G N -1.110 106.673 108.800 -1.694 0.000 2.517 78 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.222 78 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.222 78 G C 1.680 176.437 174.900 -0.237 0.000 1.109 78 G CA 1.536 45.805 45.100 -1.385 0.000 0.746 78 G HN 0.602 nan 8.290 nan 0.000 0.576 79 S N -1.256 114.310 115.700 -0.224 0.000 2.539 79 S HA 0.219 4.689 4.470 -0.000 0.000 0.226 79 S C 1.656 176.370 174.600 0.191 0.000 1.054 79 S CA 0.402 58.835 58.200 0.388 0.000 0.910 79 S CB 0.290 63.877 63.200 0.646 0.000 0.818 79 S HN 0.408 nan 8.310 nan 0.000 0.490 80 E N 1.836 121.996 120.200 -0.066 0.000 2.299 80 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 80 E C 1.907 178.346 176.600 -0.268 0.000 0.998 80 E CA 0.893 57.237 56.400 -0.093 0.000 0.851 80 E CB -0.266 29.401 29.700 -0.055 0.000 0.795 80 E HN 0.791 nan 8.360 nan 0.000 0.492 81 M N -1.679 117.555 119.600 -0.610 0.000 2.706 81 M HA -0.051 4.429 4.480 -0.000 0.000 0.251 81 M C 0.814 176.602 176.300 -0.852 0.000 1.070 81 M CA 1.301 56.089 55.300 -0.853 0.000 1.073 81 M CB -0.279 31.549 32.600 -1.286 0.000 1.449 81 M HN 0.047 nan 8.290 nan 0.000 0.531 82 W N 0.865 122.041 121.300 -0.207 0.000 2.915 82 W HA 0.304 4.964 4.660 -0.000 0.000 0.276 82 W C 0.189 176.629 176.519 -0.131 0.000 1.215 82 W CA -0.813 56.430 57.345 -0.170 0.000 1.514 82 W CB 0.100 29.495 29.460 -0.107 0.000 1.017 82 W HN 0.141 nan 8.180 nan 0.000 0.598 83 N N 1.617 120.358 118.700 0.068 0.000 2.508 83 N HA 0.105 4.845 4.740 -0.000 0.000 0.264 83 N C -2.450 173.038 175.510 -0.035 0.000 1.216 83 N CA -1.335 51.733 53.050 0.030 0.000 0.943 83 N CB 0.441 38.949 38.487 0.035 0.000 1.113 83 N HN -0.399 nan 8.380 nan 0.000 0.447 84 P HA 0.020 nan 4.420 nan 0.000 0.267 84 P C -0.689 176.571 177.300 -0.068 0.000 1.200 84 P CA 0.059 63.115 63.100 -0.074 0.000 0.772 84 P CB 0.382 32.044 31.700 -0.064 0.000 0.855 85 N N -0.395 118.254 118.700 -0.085 0.000 2.497 85 N HA 0.137 4.877 4.740 -0.000 0.000 0.284 85 N C -1.020 174.463 175.510 -0.045 0.000 1.459 85 N CA -0.350 52.663 53.050 -0.063 0.000 0.899 85 N CB 0.027 38.470 38.487 -0.073 0.000 1.316 85 N HN 0.122 nan 8.380 nan 0.000 0.500 86 T N -0.575 113.951 114.554 -0.046 0.000 2.932 86 T HA 0.127 4.477 4.350 -0.000 0.000 0.318 86 T C -1.323 173.361 174.700 -0.026 0.000 1.265 86 T CA -0.661 61.422 62.100 -0.028 0.000 1.036 86 T CB 2.087 70.938 68.868 -0.029 0.000 1.209 86 T HN -0.020 nan 8.240 nan 0.000 0.484 87 D N 2.289 122.678 120.400 -0.018 0.000 2.923 87 D HA -0.048 4.592 4.640 -0.000 0.000 0.220 87 D C 0.058 176.350 176.300 -0.013 0.000 1.099 87 D CA 0.639 54.630 54.000 -0.015 0.000 0.807 87 D CB 0.272 41.063 40.800 -0.015 0.000 1.155 87 D HN 0.304 nan 8.370 nan 0.000 0.524 88 L N 2.666 123.882 121.223 -0.011 0.000 2.416 88 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 88 L C 0.682 177.551 176.870 -0.002 0.000 1.161 88 L CA 0.147 54.982 54.840 -0.008 0.000 0.845 88 L CB 0.776 42.831 42.059 -0.006 0.000 1.119 88 L HN 0.309 nan 8.230 nan 0.000 0.464 89 S N 1.258 116.961 115.700 0.004 0.000 2.548 89 S HA 0.156 4.626 4.470 -0.000 0.000 0.278 89 S C 0.403 175.007 174.600 0.006 0.000 1.150 89 S CA -0.692 57.514 58.200 0.009 0.000 0.907 89 S CB 1.584 64.799 63.200 0.026 0.000 1.108 89 S HN 0.752 nan 8.310 nan 0.000 0.459 90 E N 1.416 121.607 120.200 -0.015 0.000 2.209 90 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 90 E C -0.082 176.502 176.600 -0.026 0.000 0.993 90 E CA 0.817 57.193 56.400 -0.040 0.000 0.819 90 E CB 0.088 29.746 29.700 -0.070 0.000 0.745 90 E HN 0.573 nan 8.360 nan 0.000 0.477 91 D N 0.116 120.526 120.400 0.016 0.000 2.483 91 D HA -0.003 4.637 4.640 -0.000 0.000 0.220 91 D C 0.168 176.573 176.300 0.175 0.000 1.173 91 D CA -0.189 53.848 54.000 0.061 0.000 0.964 91 D CB -0.041 40.819 40.800 0.101 0.000 1.046 91 D HN 0.144 nan 8.370 nan 0.000 0.517 92 c N 2.023 120.682 118.600 0.098 0.000 3.911 92 c HA 0.347 4.917 4.570 -0.000 0.000 0.318 92 c C 0.937 175.095 174.090 0.114 0.000 1.643 92 c CA -0.585 55.867 56.329 0.205 0.000 1.845 92 c CB -1.149 41.421 42.510 0.101 0.000 2.981 92 c HN 0.415 nan 8.230 nan 0.000 0.656 93 L N 2.552 123.615 121.223 -0.266 0.000 2.505 93 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 93 L C -0.808 175.491 176.870 -0.953 0.000 1.264 93 L CA 0.899 55.393 54.840 -0.576 0.000 1.148 93 L CB -1.010 40.576 42.059 -0.789 0.000 1.377 93 L HN 0.410 nan 8.230 nan 0.000 0.442 94 Y N 2.185 122.431 120.300 -0.089 0.000 2.576 94 Y HA 0.675 5.224 4.550 -0.001 0.000 0.346 94 Y C -0.107 175.900 175.900 0.177 0.000 1.018 94 Y CA -1.234 56.860 58.100 -0.011 0.000 1.050 94 Y CB 2.022 40.463 38.460 -0.031 0.000 1.280 94 Y HN 0.208 nan 8.280 nan 0.000 0.474 95 L N -0.234 121.101 121.223 0.186 0.000 2.350 95 L HA 0.752 5.091 4.340 -0.000 0.000 0.260 95 L C -1.297 175.532 176.870 -0.068 0.000 1.015 95 L CA -1.132 53.719 54.840 0.019 0.000 0.821 95 L CB 1.699 43.627 42.059 -0.219 0.000 1.370 95 L HN 0.439 nan 8.230 nan 0.000 0.416 96 N N 0.617 119.280 118.700 -0.062 0.000 2.430 96 N HA 0.763 5.503 4.740 -0.000 0.000 0.298 96 N C -1.250 174.107 175.510 -0.255 0.000 1.130 96 N CA -0.508 52.407 53.050 -0.225 0.000 0.894 96 N CB 2.718 40.987 38.487 -0.363 0.000 1.209 96 N HN 0.525 nan 8.380 nan 0.000 0.503 97 V N 0.892 120.603 119.914 -0.339 0.000 2.686 97 V HA 0.419 4.538 4.120 -0.000 0.000 0.306 97 V C -1.010 175.022 176.094 -0.104 0.000 1.065 97 V CA -0.828 61.378 62.300 -0.157 0.000 0.894 97 V CB 2.401 34.041 31.823 -0.305 0.000 1.004 97 V HN 0.584 nan 8.190 nan 0.000 0.424 98 W N 5.232 126.632 121.300 0.168 0.000 2.475 98 W HA 0.671 5.331 4.660 -0.001 0.000 0.320 98 W C -0.883 175.738 176.519 0.171 0.000 1.022 98 W CA -0.581 56.873 57.345 0.182 0.000 1.240 98 W CB 1.993 31.541 29.460 0.147 0.000 1.328 98 W HN 0.431 nan 8.180 nan 0.000 0.439 99 I N 5.093 125.904 120.570 0.402 0.000 2.412 99 I HA 0.330 4.500 4.170 -0.000 0.000 0.296 99 I C -2.037 174.233 176.117 0.255 0.000 0.987 99 I CA -2.401 59.086 61.300 0.312 0.000 1.180 99 I CB 1.433 39.643 38.000 0.350 0.000 1.340 99 I HN -0.039 nan 8.210 nan 0.000 0.455 100 P HA 0.217 nan 4.420 nan 0.000 0.272 100 P C -1.091 176.295 177.300 0.143 0.000 1.223 100 P CA -0.358 62.834 63.100 0.152 0.000 0.784 100 P CB 0.733 32.507 31.700 0.124 0.000 0.923 101 A N 2.990 125.881 122.820 0.118 0.000 2.330 101 A HA 0.726 5.046 4.320 -0.000 0.000 0.327 101 A C -2.347 175.288 177.584 0.084 0.000 1.155 101 A CA -1.391 50.707 52.037 0.101 0.000 0.803 101 A CB -0.205 18.849 19.000 0.089 0.000 1.208 101 A HN 0.392 nan 8.150 nan 0.000 0.477 102 P HA 0.417 nan 4.420 nan 0.000 0.282 102 P C -0.825 176.527 177.300 0.087 0.000 1.259 102 P CA -0.805 62.340 63.100 0.076 0.000 0.826 102 P CB 0.459 32.195 31.700 0.060 0.000 1.064 103 K N 2.530 122.986 120.400 0.095 0.000 2.401 103 K HA -0.005 4.315 4.320 -0.000 0.000 0.267 103 K C -1.743 174.907 176.600 0.083 0.000 1.140 103 K CA -0.060 56.289 56.287 0.103 0.000 1.199 103 K CB -0.930 31.624 32.500 0.090 0.000 0.822 103 K HN 0.412 nan 8.250 nan 0.000 0.488 104 P HA 0.085 nan 4.420 nan 0.000 0.273 104 P C -0.438 176.902 177.300 0.067 0.000 1.250 104 P CA -0.257 62.887 63.100 0.073 0.000 0.793 104 P CB 1.202 32.949 31.700 0.078 0.000 1.011 105 K N -0.027 120.404 120.400 0.052 0.000 8.070 105 K HA -0.093 4.227 4.320 -0.000 0.000 0.188 105 K C -0.893 175.731 176.600 0.040 0.000 1.602 105 K CA 0.401 56.714 56.287 0.044 0.000 0.928 105 K CB -1.876 30.653 32.500 0.048 0.000 0.360 105 K HN 0.415 nan 8.250 nan 0.000 0.417 106 N N 0.680 119.404 118.700 0.041 0.000 2.666 106 N HA 0.504 5.244 4.740 -0.000 0.000 0.253 106 N C -1.593 173.936 175.510 0.032 0.000 1.621 106 N CA 0.318 53.388 53.050 0.034 0.000 0.785 106 N CB 1.515 40.018 38.487 0.026 0.000 1.332 106 N HN 0.846 nan 8.380 nan 0.000 0.514 107 A N 0.242 123.089 122.820 0.044 0.000 2.371 107 A HA 0.485 4.805 4.320 -0.000 0.000 0.257 107 A C 0.594 178.191 177.584 0.021 0.000 1.089 107 A CA 0.098 52.158 52.037 0.038 0.000 0.794 107 A CB 0.196 19.235 19.000 0.064 0.000 1.029 107 A HN 0.337 nan 8.150 nan 0.000 0.488 108 T N 1.165 115.712 114.554 -0.011 0.000 2.919 108 T HA 0.415 4.765 4.350 -0.000 0.000 0.302 108 T C -0.101 174.599 174.700 0.000 0.000 1.031 108 T CA 0.117 62.196 62.100 -0.035 0.000 1.127 108 T CB 0.331 69.132 68.868 -0.112 0.000 0.952 108 T HN 0.430 nan 8.240 nan 0.000 0.540 109 V N 5.370 125.293 119.914 0.015 0.000 2.384 109 V HA 0.428 4.548 4.120 -0.000 0.000 0.287 109 V C -0.142 175.988 176.094 0.060 0.000 1.020 109 V CA -0.756 61.580 62.300 0.059 0.000 0.850 109 V CB 1.405 33.275 31.823 0.079 0.000 0.987 109 V HN 0.670 nan 8.190 nan 0.000 0.436 110 L N 5.976 127.246 121.223 0.078 0.000 2.282 110 L HA 0.571 4.911 4.340 -0.000 0.000 0.288 110 L C -0.467 176.603 176.870 0.333 0.000 1.033 110 L CA -0.047 54.842 54.840 0.081 0.000 0.807 110 L CB 1.396 43.369 42.059 -0.143 0.000 1.209 110 L HN 0.510 nan 8.230 nan 0.000 0.423 111 I N 3.314 124.139 120.570 0.424 0.000 2.355 111 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 111 I C -0.725 175.736 176.117 0.574 0.000 0.999 111 I CA -0.368 61.188 61.300 0.427 0.000 1.163 111 I CB 1.224 39.331 38.000 0.180 0.000 1.316 111 I HN 0.622 nan 8.210 nan 0.000 0.454 112 W N 8.572 130.017 121.300 0.241 0.000 2.331 112 W HA 0.506 5.166 4.660 -0.000 0.000 0.306 112 W C -1.305 175.121 176.519 -0.155 0.000 1.162 112 W CA -0.616 56.627 57.345 -0.171 0.000 1.232 112 W CB 1.096 30.500 29.460 -0.092 0.000 1.235 112 W HN 0.356 nan 8.180 nan 0.000 0.479 113 I N 9.502 129.469 120.570 -1.005 0.000 2.388 113 I HA 0.036 4.206 4.170 -0.000 0.000 0.281 113 I C -0.114 175.262 176.117 -1.235 0.000 1.046 113 I CA -1.038 59.729 61.300 -0.888 0.000 1.187 113 I CB 0.269 37.914 38.000 -0.592 0.000 1.351 113 I HN 0.266 nan 8.210 nan 0.000 0.472 114 Y N 4.545 124.328 120.300 -0.861 0.000 2.683 114 Y HA 0.549 5.098 4.550 -0.000 0.000 0.340 114 Y C 0.767 176.481 175.900 -0.310 0.000 1.245 114 Y CA -0.796 56.920 58.100 -0.640 0.000 1.485 114 Y CB -0.114 38.174 38.460 -0.286 0.000 1.328 114 Y HN 0.483 nan 8.280 nan 0.000 0.603 115 G N -0.324 108.484 108.800 0.013 0.000 2.583 115 G HA2 0.517 4.477 3.960 -0.000 0.000 0.280 115 G HA3 0.517 4.477 3.960 -0.000 0.000 0.280 115 G C 0.094 175.023 174.900 0.048 0.000 1.376 115 G CA -0.917 44.154 45.100 -0.049 0.000 1.043 115 G HN 1.750 nan 8.290 nan 0.000 0.538 116 G N -2.260 106.480 108.800 -0.101 0.000 2.587 116 G HA2 0.416 4.376 3.960 -0.000 0.000 0.216 116 G HA3 0.416 4.376 3.960 -0.000 0.000 0.216 116 G C 0.847 175.684 174.900 -0.106 0.000 1.124 116 G CA 0.374 45.424 45.100 -0.084 0.000 0.858 116 G HN 2.092 nan 8.290 nan 0.000 0.523 117 G N 0.156 108.834 108.800 -0.204 0.000 2.458 117 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.300 117 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.300 117 G C 1.080 176.030 174.900 0.083 0.000 0.870 117 G CA 1.043 46.059 45.100 -0.140 0.000 0.987 117 G HN 1.838 nan 8.290 nan 0.000 0.503 118 F N -3.366 116.619 119.950 0.058 0.000 2.945 118 F HA -0.309 4.217 4.527 -0.001 0.000 0.334 118 F C 1.884 177.778 175.800 0.156 0.000 0.683 118 F CA 1.944 59.988 58.000 0.073 0.000 1.044 118 F CB -1.248 37.595 39.000 -0.261 0.000 1.478 118 F HN 0.445 nan 8.300 nan 0.000 0.324 119 Q N -0.463 119.476 119.800 0.232 0.000 2.373 119 Q HA 0.239 4.579 4.340 -0.000 0.000 0.210 119 Q C 1.260 177.346 176.000 0.144 0.000 0.913 119 Q CA 1.499 57.421 55.803 0.198 0.000 0.911 119 Q CB 0.470 29.282 28.738 0.123 0.000 1.040 119 Q HN 0.623 nan 8.270 nan 0.000 0.521 120 T N -3.608 111.007 114.554 0.101 0.000 2.754 120 T HA 0.773 5.123 4.350 -0.000 0.000 0.296 120 T C 0.076 174.774 174.700 -0.005 0.000 1.205 120 T CA -0.411 61.710 62.100 0.035 0.000 1.009 120 T CB 2.171 71.042 68.868 0.006 0.000 1.368 120 T HN 0.322 nan 8.240 nan 0.000 0.509 121 G N -0.948 107.763 108.800 -0.148 0.000 2.440 121 G HA2 0.419 4.379 3.960 -0.000 0.000 0.684 121 G HA3 0.419 4.379 3.960 -0.000 0.000 0.684 121 G C -0.603 173.737 174.900 -0.934 0.000 1.309 121 G CA -0.050 44.792 45.100 -0.430 0.000 0.931 121 G HN 1.608 nan 8.290 nan 0.000 0.612 122 T N -1.673 112.124 114.554 -1.262 0.000 2.977 122 T HA 0.631 4.980 4.350 -0.000 0.000 0.345 122 T C 1.404 175.851 174.700 -0.422 0.000 1.562 122 T CA 0.926 62.532 62.100 -0.825 0.000 1.090 122 T CB 1.027 69.696 68.868 -0.332 0.000 1.383 122 T HN 2.150 nan 8.240 nan 0.000 0.484 123 S N 1.251 116.925 115.700 -0.044 0.000 2.436 123 S HA -0.030 4.439 4.470 -0.000 0.000 0.228 123 S C 1.994 176.676 174.600 0.137 0.000 1.014 123 S CA 1.421 59.784 58.200 0.272 0.000 0.950 123 S CB -0.394 63.002 63.200 0.326 0.000 0.784 123 S HN 0.925 nan 8.310 nan 0.000 0.504 124 S N 1.318 116.888 115.700 -0.217 0.000 2.603 124 S HA 0.284 4.754 4.470 -0.000 0.000 0.220 124 S C 0.687 175.018 174.600 -0.448 0.000 0.967 124 S CA -0.511 57.223 58.200 -0.777 0.000 0.920 124 S CB -0.847 61.736 63.200 -1.027 0.000 0.773 124 S HN 0.503 nan 8.310 nan 0.000 0.529 125 L N 1.760 122.851 121.223 -0.221 0.000 2.499 125 L HA 0.051 4.391 4.340 -0.000 0.000 0.281 125 L C 2.093 178.794 176.870 -0.283 0.000 1.234 125 L CA 0.205 54.844 54.840 -0.335 0.000 0.839 125 L CB 0.107 41.754 42.059 -0.688 0.000 1.104 125 L HN 0.384 nan 8.230 nan 0.000 0.500 126 H N 2.064 120.936 119.070 -0.331 0.000 2.423 126 H HA -0.099 4.456 4.556 -0.000 0.000 0.297 126 H C 1.458 176.592 175.328 -0.323 0.000 1.075 126 H CA 1.807 57.727 56.048 -0.214 0.000 1.342 126 H CB 0.094 29.765 29.762 -0.152 0.000 1.395 126 H HN 0.413 nan 8.280 nan 0.000 0.530 127 V N -1.480 117.999 119.914 -0.725 0.000 3.510 127 V HA -0.039 4.081 4.120 -0.000 0.000 0.270 127 V C 0.577 176.089 176.094 -0.970 0.000 1.201 127 V CA 0.738 62.553 62.300 -0.808 0.000 1.166 127 V CB -1.178 30.187 31.823 -0.764 0.000 0.825 127 V HN 0.276 nan 8.190 nan 0.000 0.484 128 Y N -0.245 119.492 120.300 -0.938 0.000 2.658 128 Y HA 0.468 5.018 4.550 -0.001 0.000 0.276 128 Y C 0.721 176.035 175.900 -0.978 0.000 1.167 128 Y CA -2.052 55.087 58.100 -1.601 0.000 1.230 128 Y CB -0.594 37.349 38.460 -0.862 0.000 1.144 128 Y HN 0.182 nan 8.280 nan 0.000 0.529 129 D N 0.874 120.994 120.400 -0.466 0.000 2.349 129 D HA 0.062 4.702 4.640 -0.000 0.000 0.266 129 D C 1.409 177.416 176.300 -0.487 0.000 1.293 129 D CA 0.435 54.251 54.000 -0.306 0.000 0.926 129 D CB 1.233 42.008 40.800 -0.042 0.000 1.090 129 D HN 0.521 nan 8.370 nan 0.000 0.502 130 G N 3.714 111.672 108.800 -1.403 0.000 2.848 130 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.208 130 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.208 130 G C 1.452 175.751 174.900 -1.001 0.000 1.152 130 G CA 0.417 44.834 45.100 -1.138 0.000 0.789 130 G HN 0.559 nan 8.290 nan 0.000 0.531 131 K N -0.252 119.476 120.400 -1.120 0.000 2.097 131 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 131 K C 1.827 178.174 176.600 -0.420 0.000 1.050 131 K CA 0.895 56.798 56.287 -0.639 0.000 0.938 131 K CB -0.518 31.663 32.500 -0.532 0.000 0.718 131 K HN 0.286 nan 8.250 nan 0.000 0.442 132 F N 1.960 121.791 119.950 -0.199 0.000 2.102 132 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 132 F C 2.366 178.169 175.800 0.005 0.000 1.105 132 F CA 0.943 58.904 58.000 -0.065 0.000 1.239 132 F CB -0.433 38.558 39.000 -0.015 0.000 0.991 132 F HN -0.132 nan 8.300 nan 0.000 0.474 133 L N -0.158 121.133 121.223 0.114 0.000 1.976 133 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 133 L C 2.835 179.737 176.870 0.053 0.000 1.071 133 L CA 1.251 56.115 54.840 0.040 0.000 0.746 133 L CB -1.077 40.948 42.059 -0.056 0.000 0.890 133 L HN 0.178 nan 8.230 nan 0.000 0.432 134 A N 0.398 123.245 122.820 0.044 0.000 1.881 134 A HA -0.354 3.966 4.320 -0.000 0.000 0.219 134 A C 2.296 179.939 177.584 0.098 0.000 1.215 134 A CA 2.649 54.743 52.037 0.094 0.000 0.648 134 A CB -0.727 18.364 19.000 0.153 0.000 0.832 134 A HN 0.407 nan 8.150 nan 0.000 0.455 135 R N -0.532 120.025 120.500 0.094 0.000 2.073 135 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 135 R C 1.799 178.195 176.300 0.159 0.000 1.134 135 R CA 2.225 58.401 56.100 0.127 0.000 0.952 135 R CB -1.053 29.320 30.300 0.122 0.000 0.850 135 R HN 0.249 nan 8.270 nan 0.000 0.433 136 V N 0.606 120.633 119.914 0.187 0.000 2.548 136 V HA -0.056 4.064 4.120 -0.000 0.000 0.249 136 V C 1.375 177.521 176.094 0.088 0.000 1.055 136 V CA 1.845 64.236 62.300 0.151 0.000 1.065 136 V CB -0.292 31.624 31.823 0.155 0.000 0.681 136 V HN 0.361 nan 8.190 nan 0.000 0.462 137 E N -0.804 119.441 120.200 0.076 0.000 2.630 137 E HA 0.241 4.591 4.350 -0.000 0.000 0.218 137 E C 0.012 176.643 176.600 0.050 0.000 0.977 137 E CA -0.265 56.167 56.400 0.053 0.000 1.038 137 E CB 0.523 30.242 29.700 0.031 0.000 1.051 137 E HN 0.442 nan 8.360 nan 0.000 0.487 138 R N 0.239 120.779 120.500 0.067 0.000 3.267 138 R HA -0.133 4.207 4.340 -0.000 0.000 0.254 138 R C -0.055 176.281 176.300 0.059 0.000 0.993 138 R CA 0.709 56.852 56.100 0.071 0.000 0.670 138 R CB -2.528 27.812 30.300 0.068 0.000 1.125 138 R HN 0.027 nan 8.270 nan 0.000 0.434 139 V N -2.443 117.508 119.914 0.062 0.000 2.864 139 V HA 0.661 4.781 4.120 -0.000 0.000 0.314 139 V C 0.780 176.937 176.094 0.106 0.000 1.073 139 V CA -1.209 61.123 62.300 0.054 0.000 0.956 139 V CB 2.845 34.674 31.823 0.010 0.000 1.023 139 V HN 0.178 nan 8.190 nan 0.000 0.435 140 I N 2.869 123.510 120.570 0.118 0.000 2.337 140 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 140 I C -0.318 175.919 176.117 0.200 0.000 1.046 140 I CA -0.328 61.077 61.300 0.174 0.000 1.324 140 I CB 1.482 39.573 38.000 0.152 0.000 1.409 140 I HN 0.450 nan 8.210 nan 0.000 0.494 141 V N 7.677 127.772 119.914 0.302 0.000 2.532 141 V HA 0.492 4.612 4.120 -0.000 0.000 0.295 141 V C 0.022 176.431 176.094 0.526 0.000 1.041 141 V CA -0.563 61.973 62.300 0.394 0.000 0.926 141 V CB 2.032 34.083 31.823 0.381 0.000 0.992 141 V HN 0.407 nan 8.190 nan 0.000 0.457 142 V N 3.295 123.503 119.914 0.490 0.000 2.808 142 V HA 0.727 4.847 4.120 -0.000 0.000 0.308 142 V C -0.417 175.940 176.094 0.438 0.000 1.099 142 V CA -0.349 62.181 62.300 0.383 0.000 0.920 142 V CB 2.430 34.378 31.823 0.208 0.000 1.014 142 V HN 1.047 nan 8.190 nan 0.000 0.425 143 S N 5.280 121.220 115.700 0.400 0.000 2.546 143 S HA 0.920 5.390 4.470 -0.000 0.000 0.274 143 S C -0.906 173.835 174.600 0.236 0.000 1.121 143 S CA -0.801 57.639 58.200 0.400 0.000 0.887 143 S CB 2.423 65.992 63.200 0.616 0.000 1.094 143 S HN 0.981 nan 8.310 nan 0.000 0.474 144 M N 1.362 121.075 119.600 0.189 0.000 2.591 144 M HA 0.645 5.124 4.480 -0.000 0.000 0.306 144 M C -1.918 174.577 176.300 0.324 0.000 1.190 144 M CA -0.543 54.863 55.300 0.178 0.000 0.889 144 M CB 1.388 33.979 32.600 -0.015 0.000 1.728 144 M HN 0.575 nan 8.290 nan 0.000 0.458 145 N N 2.674 121.606 118.700 0.386 0.000 2.499 145 N HA 0.612 5.351 4.740 -0.000 0.000 0.281 145 N C -1.459 174.276 175.510 0.375 0.000 1.098 145 N CA 0.110 53.401 53.050 0.402 0.000 0.979 145 N CB 0.672 39.333 38.487 0.290 0.000 1.121 145 N HN 0.717 nan 8.380 nan 0.000 0.466 146 Y N -1.606 118.841 120.300 0.245 0.000 2.553 146 Y HA 0.583 5.133 4.550 -0.000 0.000 0.347 146 Y C 0.157 176.153 175.900 0.160 0.000 1.019 146 Y CA -1.347 56.845 58.100 0.154 0.000 1.032 146 Y CB 0.890 39.381 38.460 0.052 0.000 1.284 146 Y HN 0.193 nan 8.280 nan 0.000 0.466 147 R N 1.212 121.829 120.500 0.195 0.000 2.784 147 R HA 0.535 4.875 4.340 -0.000 0.000 0.266 147 R C -0.537 175.876 176.300 0.188 0.000 1.044 147 R CA 0.036 56.185 56.100 0.081 0.000 1.151 147 R CB 0.870 31.159 30.300 -0.019 0.000 1.037 147 R HN 0.742 nan 8.270 nan 0.000 0.478 148 V N -1.656 118.376 119.914 0.197 0.000 3.181 148 V HA 0.842 4.962 4.120 -0.000 0.000 0.308 148 V C 0.392 176.705 176.094 0.366 0.000 1.214 148 V CA -0.320 62.233 62.300 0.421 0.000 1.053 148 V CB 1.175 33.177 31.823 0.297 0.000 1.069 148 V HN 1.003 nan 8.190 nan 0.000 0.441 149 G N 0.815 109.904 108.800 0.482 0.000 2.622 149 G HA2 0.066 4.026 3.960 -0.000 0.000 0.272 149 G HA3 0.066 4.026 3.960 -0.000 0.000 0.272 149 G C 1.070 176.179 174.900 0.349 0.000 1.308 149 G CA 1.101 46.449 45.100 0.414 0.000 0.919 149 G HN 2.387 nan 8.290 nan 0.000 0.565 150 A N -1.426 121.449 122.820 0.091 0.000 1.986 150 A HA 0.054 4.373 4.320 -0.000 0.000 0.220 150 A C 2.642 180.241 177.584 0.024 0.000 1.171 150 A CA 2.537 54.341 52.037 -0.389 0.000 0.640 150 A CB -0.355 18.197 19.000 -0.747 0.000 0.811 150 A HN 1.129 nan 8.150 nan 0.000 0.451 151 L N -0.922 120.329 121.223 0.047 0.000 2.275 151 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 151 L C 2.453 179.299 176.870 -0.041 0.000 1.119 151 L CA 1.463 56.269 54.840 -0.058 0.000 0.790 151 L CB -0.237 41.733 42.059 -0.148 0.000 0.919 151 L HN 0.443 nan 8.230 nan 0.000 0.443 152 G N -2.703 106.080 108.800 -0.030 0.000 2.850 152 G HA2 0.035 3.995 3.960 -0.000 0.000 0.211 152 G HA3 0.035 3.995 3.960 -0.000 0.000 0.211 152 G C 0.615 175.057 174.900 -0.762 0.000 1.124 152 G CA -0.044 44.848 45.100 -0.347 0.000 0.769 152 G HN 0.299 nan 8.290 nan 0.000 0.535 153 F N -0.282 119.737 119.950 0.115 0.000 2.856 153 F HA 0.421 4.947 4.527 -0.001 0.000 0.333 153 F C -0.016 175.829 175.800 0.076 0.000 1.200 153 F CA -0.972 57.086 58.000 0.097 0.000 1.128 153 F CB 0.614 39.689 39.000 0.124 0.000 1.172 153 F HN -0.107 nan 8.300 nan 0.000 0.511 154 L N 2.276 123.524 121.223 0.043 0.000 2.418 154 L HA 0.589 4.929 4.340 -0.000 0.000 0.274 154 L C 0.289 177.131 176.870 -0.047 0.000 1.135 154 L CA 0.033 54.788 54.840 -0.142 0.000 0.870 154 L CB 0.244 42.044 42.059 -0.431 0.000 1.154 154 L HN 0.196 nan 8.230 nan 0.000 0.462 155 A N 6.026 128.865 122.820 0.030 0.000 2.271 155 A HA 0.635 4.955 4.320 -0.000 0.000 0.317 155 A C -1.075 176.474 177.584 -0.058 0.000 1.245 155 A CA -0.502 51.532 52.037 -0.005 0.000 0.857 155 A CB 0.670 19.680 19.000 0.018 0.000 1.175 155 A HN 0.588 nan 8.150 nan 0.000 0.512 156 L N 5.356 126.529 121.223 -0.083 0.000 2.366 156 L HA 0.427 4.767 4.340 -0.000 0.000 0.266 156 L C -2.293 174.538 176.870 -0.065 0.000 1.010 156 L CA -2.149 52.643 54.840 -0.080 0.000 0.879 156 L CB 1.546 43.553 42.059 -0.087 0.000 1.228 156 L HN 0.423 nan 8.230 nan 0.000 0.439 157 P HA 0.072 nan 4.420 nan 0.000 0.257 157 P C 1.015 178.299 177.300 -0.027 0.000 1.162 157 P CA 1.279 64.332 63.100 -0.080 0.000 0.762 157 P CB 0.485 32.094 31.700 -0.151 0.000 0.753 158 G N 3.234 112.027 108.800 -0.011 0.000 2.377 158 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.250 158 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.250 158 G C 0.637 175.536 174.900 -0.002 0.000 1.039 158 G CA 0.072 45.174 45.100 0.004 0.000 0.625 158 G HN 0.707 nan 8.290 nan 0.000 0.526 159 N N 2.339 121.032 118.700 -0.011 0.000 2.417 159 N HA 0.136 4.876 4.740 -0.000 0.000 0.272 159 N C -0.465 175.033 175.510 -0.020 0.000 1.304 159 N CA -0.418 52.622 53.050 -0.017 0.000 0.906 159 N CB 1.213 39.684 38.487 -0.027 0.000 1.135 159 N HN 0.235 nan 8.380 nan 0.000 0.483 160 P HA -0.127 nan 4.420 nan 0.000 0.223 160 P C 0.369 177.656 177.300 -0.022 0.000 1.144 160 P CA 1.244 64.332 63.100 -0.020 0.000 0.783 160 P CB 0.320 32.009 31.700 -0.017 0.000 0.771 161 E N -0.814 119.376 120.200 -0.017 0.000 2.501 161 E HA 0.348 4.698 4.350 -0.000 0.000 0.201 161 E C 0.405 177.000 176.600 -0.007 0.000 1.016 161 E CA -0.246 56.152 56.400 -0.003 0.000 0.920 161 E CB 0.488 30.192 29.700 0.007 0.000 1.023 161 E HN 0.096 nan 8.360 nan 0.000 0.474 162 A N 2.041 124.837 122.820 -0.041 0.000 3.399 162 A HA 0.410 4.730 4.320 -0.000 0.000 0.262 162 A C -2.429 175.124 177.584 -0.052 0.000 1.145 162 A CA -0.834 51.154 52.037 -0.082 0.000 0.916 162 A CB 0.801 19.678 19.000 -0.204 0.000 1.360 162 A HN -0.071 nan 8.150 nan 0.000 0.628 163 P HA 0.222 nan 4.420 nan 0.000 0.236 163 P C 1.007 178.332 177.300 0.042 0.000 1.177 163 P CA 1.619 64.728 63.100 0.015 0.000 0.773 163 P CB 0.312 32.028 31.700 0.026 0.000 0.878 164 G N 0.507 109.332 108.800 0.041 0.000 2.796 164 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.571 164 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.571 164 G C -0.219 174.740 174.900 0.099 0.000 1.370 164 G CA -0.320 44.825 45.100 0.074 0.000 0.856 164 G HN 0.147 nan 8.290 nan 0.000 0.538 165 N N -1.591 117.169 118.700 0.100 0.000 2.696 165 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 165 N C 1.559 177.018 175.510 -0.085 0.000 1.090 165 N CA 1.921 54.959 53.050 -0.021 0.000 0.716 165 N CB -0.799 37.569 38.487 -0.198 0.000 1.020 165 N HN 0.645 nan 8.380 nan 0.000 0.548 166 M N -0.391 119.110 119.600 -0.165 0.000 2.117 166 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 166 M C 2.432 178.645 176.300 -0.145 0.000 1.065 166 M CA 2.120 57.385 55.300 -0.058 0.000 1.114 166 M CB -0.553 31.988 32.600 -0.098 0.000 1.361 166 M HN 0.338 nan 8.290 nan 0.000 0.408 167 G N -0.228 108.241 108.800 -0.551 0.000 2.422 167 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 167 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 167 G C 1.582 176.407 174.900 -0.124 0.000 1.146 167 G CA 0.755 45.693 45.100 -0.271 0.000 0.769 167 G HN 0.393 nan 8.290 nan 0.000 0.547 168 L N -0.868 120.197 121.223 -0.263 0.000 2.017 168 L HA 0.010 4.349 4.340 -0.000 0.000 0.208 168 L C 2.698 179.381 176.870 -0.312 0.000 1.073 168 L CA 0.885 55.422 54.840 -0.504 0.000 0.745 168 L CB -0.475 40.861 42.059 -1.205 0.000 0.894 168 L HN 0.158 nan 8.230 nan 0.000 0.432 169 F N 0.448 120.334 119.950 -0.107 0.000 2.161 169 F HA -0.270 4.257 4.527 -0.001 0.000 0.300 169 F C 2.343 178.226 175.800 0.138 0.000 1.089 169 F CA 1.203 59.273 58.000 0.116 0.000 1.282 169 F CB -0.323 38.733 39.000 0.093 0.000 1.010 169 F HN 0.171 nan 8.300 nan 0.000 0.485 170 D N 0.135 120.698 120.400 0.272 0.000 2.087 170 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 170 D C 2.181 178.626 176.300 0.242 0.000 0.993 170 D CA 1.490 55.680 54.000 0.317 0.000 0.828 170 D CB -0.729 40.255 40.800 0.306 0.000 0.968 170 D HN 0.369 nan 8.370 nan 0.000 0.448 171 Q N 0.343 120.202 119.800 0.099 0.000 2.045 171 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 171 Q C 2.291 178.319 176.000 0.047 0.000 0.991 171 Q CA 1.712 57.510 55.803 -0.009 0.000 0.851 171 Q CB -0.269 28.444 28.738 -0.041 0.000 0.911 171 Q HN 0.364 nan 8.270 nan 0.000 0.418 172 Q N 0.334 120.276 119.800 0.235 0.000 2.077 172 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 172 Q C 2.048 178.157 176.000 0.182 0.000 0.989 172 Q CA 1.340 57.305 55.803 0.270 0.000 0.853 172 Q CB -0.121 28.860 28.738 0.405 0.000 0.907 172 Q HN 0.301 nan 8.270 nan 0.000 0.418 173 L N 0.260 121.615 121.223 0.220 0.000 2.046 173 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 173 L C 2.194 179.104 176.870 0.066 0.000 1.077 173 L CA 2.086 57.054 54.840 0.214 0.000 0.747 173 L CB -0.921 41.338 42.059 0.334 0.000 0.896 173 L HN 0.297 nan 8.230 nan 0.000 0.432 174 A N -0.657 122.002 122.820 -0.268 0.000 1.940 174 A HA -0.183 4.136 4.320 -0.000 0.000 0.219 174 A C 2.230 179.740 177.584 -0.122 0.000 1.176 174 A CA 1.915 53.601 52.037 -0.585 0.000 0.631 174 A CB -0.794 17.659 19.000 -0.911 0.000 0.814 174 A HN 0.488 nan 8.150 nan 0.000 0.446 175 L N -1.023 120.166 121.223 -0.057 0.000 2.046 175 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 175 L C 2.871 179.794 176.870 0.088 0.000 1.077 175 L CA 1.699 56.546 54.840 0.011 0.000 0.747 175 L CB -0.934 41.105 42.059 -0.032 0.000 0.896 175 L HN 0.514 nan 8.230 nan 0.000 0.432 176 Q N -0.881 118.984 119.800 0.108 0.000 2.096 176 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 176 Q C 1.994 178.070 176.000 0.126 0.000 0.982 176 Q CA 2.156 58.028 55.803 0.114 0.000 0.850 176 Q CB -0.370 28.447 28.738 0.130 0.000 0.901 176 Q HN 0.525 nan 8.270 nan 0.000 0.422 177 W N 0.942 122.239 121.300 -0.006 0.000 2.301 177 W HA -0.309 4.351 4.660 0.000 0.000 0.325 177 W C 2.047 178.559 176.519 -0.012 0.000 1.250 177 W CA 1.806 59.150 57.345 -0.001 0.000 1.261 177 W CB -0.465 28.984 29.460 -0.020 0.000 1.157 177 W HN -0.129 nan 8.180 nan 0.000 0.473 178 V N 0.954 121.082 119.914 0.358 0.000 2.380 178 V HA -0.363 3.757 4.120 -0.000 0.000 0.251 178 V C 2.483 178.557 176.094 -0.034 0.000 1.063 178 V CA 2.174 64.572 62.300 0.163 0.000 1.055 178 V CB -0.883 31.068 31.823 0.214 0.000 0.657 178 V HN 0.307 nan 8.190 nan 0.000 0.455 179 Q N -0.334 119.461 119.800 -0.009 0.000 2.167 179 Q HA -0.130 4.209 4.340 -0.000 0.000 0.202 179 Q C 2.224 178.170 176.000 -0.091 0.000 0.970 179 Q CA 1.247 57.033 55.803 -0.028 0.000 0.855 179 Q CB -0.147 28.596 28.738 0.009 0.000 0.911 179 Q HN 0.636 nan 8.270 nan 0.000 0.438 180 K N -0.227 120.074 120.400 -0.164 0.000 2.262 180 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 180 K C 1.236 177.657 176.600 -0.300 0.000 1.049 180 K CA 0.430 56.596 56.287 -0.202 0.000 0.979 180 K CB 0.390 32.772 32.500 -0.196 0.000 0.773 180 K HN 0.122 nan 8.250 nan 0.000 0.474 181 N N 0.416 118.815 118.700 -0.502 0.000 2.257 181 N HA 0.019 4.759 4.740 -0.000 0.000 0.200 181 N C 1.466 176.822 175.510 -0.255 0.000 1.163 181 N CA 0.161 52.863 53.050 -0.580 0.000 0.891 181 N CB 0.421 38.097 38.487 -1.352 0.000 1.067 181 N HN -0.020 nan 8.380 nan 0.000 0.497 182 I N 2.276 122.721 120.570 -0.208 0.000 2.454 182 I HA -0.091 4.079 4.170 -0.000 0.000 0.254 182 I C 2.124 178.305 176.117 0.106 0.000 1.156 182 I CA 0.478 61.783 61.300 0.008 0.000 1.433 182 I CB -0.411 37.594 38.000 0.008 0.000 1.082 182 I HN 0.038 nan 8.210 nan 0.000 0.432 183 A N 0.119 122.953 122.820 0.022 0.000 1.930 183 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 183 A C 2.493 180.086 177.584 0.016 0.000 1.175 183 A CA 1.499 53.547 52.037 0.018 0.000 0.627 183 A CB -1.047 17.943 19.000 -0.018 0.000 0.815 183 A HN 0.428 nan 8.150 nan 0.000 0.443 184 A N -1.500 121.311 122.820 -0.016 0.000 2.076 184 A HA -0.001 4.319 4.320 -0.000 0.000 0.220 184 A C 1.711 179.168 177.584 -0.212 0.000 1.160 184 A CA 1.377 53.339 52.037 -0.125 0.000 0.653 184 A CB -0.669 18.207 19.000 -0.206 0.000 0.801 184 A HN 0.492 nan 8.150 nan 0.000 0.455 185 F N -1.486 118.423 119.950 -0.070 0.000 2.754 185 F HA 0.343 4.870 4.527 -0.000 0.000 0.297 185 F C 1.901 177.704 175.800 0.006 0.000 1.122 185 F CA 0.769 58.742 58.000 -0.045 0.000 1.400 185 F CB 0.312 39.275 39.000 -0.062 0.000 1.117 185 F HN 0.362 nan 8.300 nan 0.000 0.587 186 G N -0.029 108.855 108.800 0.139 0.000 2.163 186 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.213 186 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.213 186 G C 0.591 175.551 174.900 0.100 0.000 0.991 186 G CA -0.314 44.846 45.100 0.099 0.000 0.653 186 G HN 0.696 nan 8.290 nan 0.000 0.518 187 G N -0.558 108.313 108.800 0.118 0.000 2.504 187 G HA2 0.508 4.468 3.960 -0.000 0.000 0.288 187 G HA3 0.508 4.468 3.960 -0.000 0.000 0.288 187 G C -0.223 174.709 174.900 0.053 0.000 1.182 187 G CA -0.008 45.144 45.100 0.087 0.000 0.894 187 G HN 0.545 nan 8.290 nan 0.000 0.521 188 N N 1.070 119.792 118.700 0.037 0.000 2.621 188 N HA 0.291 5.031 4.740 -0.000 0.000 0.237 188 N C -1.511 174.007 175.510 0.013 0.000 0.997 188 N CA -2.065 50.996 53.050 0.019 0.000 0.918 188 N CB 2.090 40.583 38.487 0.010 0.000 1.122 188 N HN 0.104 nan 8.380 nan 0.000 0.510 189 P HA -0.149 nan 4.420 nan 0.000 0.223 189 P C 0.345 177.646 177.300 0.003 0.000 1.144 189 P CA 1.159 64.263 63.100 0.008 0.000 0.783 189 P CB 0.265 31.962 31.700 -0.005 0.000 0.771 190 K N -0.706 119.690 120.400 -0.007 0.000 2.444 190 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 190 K C 0.718 177.302 176.600 -0.028 0.000 1.024 190 K CA 0.214 56.488 56.287 -0.020 0.000 1.077 190 K CB 0.178 32.665 32.500 -0.021 0.000 0.833 190 K HN -0.038 nan 8.250 nan 0.000 0.517 191 S N 1.259 116.948 115.700 -0.019 0.000 2.622 191 S HA 0.305 4.775 4.470 -0.000 0.000 0.283 191 S C -1.037 173.563 174.600 0.000 0.000 1.197 191 S CA -0.631 57.551 58.200 -0.029 0.000 1.146 191 S CB 0.664 63.828 63.200 -0.059 0.000 1.007 191 S HN -0.119 nan 8.310 nan 0.000 0.478 192 V N 4.918 124.853 119.914 0.034 0.000 2.409 192 V HA 0.427 4.547 4.120 -0.000 0.000 0.290 192 V C 0.185 176.363 176.094 0.139 0.000 1.017 192 V CA -0.651 61.703 62.300 0.088 0.000 0.841 192 V CB 1.709 33.609 31.823 0.129 0.000 1.003 192 V HN 0.759 nan 8.190 nan 0.000 0.426 193 T N 6.663 121.278 114.554 0.102 0.000 2.771 193 T HA 0.523 4.873 4.350 -0.000 0.000 0.291 193 T C -0.022 174.784 174.700 0.177 0.000 0.954 193 T CA -0.140 62.048 62.100 0.147 0.000 1.045 193 T CB 0.510 69.421 68.868 0.072 0.000 0.917 193 T HN 0.340 nan 8.240 nan 0.000 0.484 194 L N 5.439 126.768 121.223 0.177 0.000 2.305 194 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 194 L C -0.462 176.567 176.870 0.265 0.000 1.085 194 L CA -0.717 54.175 54.840 0.088 0.000 0.813 194 L CB 0.374 42.274 42.059 -0.264 0.000 1.157 194 L HN 0.630 nan 8.230 nan 0.000 0.436 195 F N 1.396 121.366 119.950 0.033 0.000 2.581 195 F HA 0.914 5.442 4.527 0.000 0.000 0.311 195 F C -0.375 175.369 175.800 -0.094 0.000 1.113 195 F CA -1.416 56.643 58.000 0.098 0.000 0.935 195 F CB 1.345 40.518 39.000 0.288 0.000 1.232 195 F HN 0.394 nan 8.300 nan 0.000 0.445 196 G N 1.844 110.451 108.800 -0.322 0.000 2.682 196 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 196 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 196 G C -2.388 172.225 174.900 -0.478 0.000 1.425 196 G CA -0.804 43.744 45.100 -0.920 0.000 0.807 196 G HN 0.833 nan 8.290 nan 0.000 0.482 197 E N 0.106 119.996 120.200 -0.517 0.000 2.272 197 E HA 0.597 4.947 4.350 -0.000 0.000 0.269 197 E C 0.546 177.068 176.600 -0.131 0.000 0.877 197 E CA 0.138 56.458 56.400 -0.133 0.000 0.755 197 E CB 2.112 31.875 29.700 0.105 0.000 1.192 197 E HN 0.720 nan 8.360 nan 0.000 0.422 198 S N 2.837 118.528 115.700 -0.015 0.000 4.151 198 S HA -0.387 4.083 4.470 -0.000 0.000 0.603 198 S C 1.400 176.083 174.600 0.137 0.000 1.878 198 S CA 2.168 60.436 58.200 0.112 0.000 4.246 198 S CB -1.618 61.612 63.200 0.050 0.000 0.211 198 S HN 0.952 nan 8.310 nan 0.000 0.469 199 A N 1.029 123.784 122.820 -0.109 0.000 2.066 199 A HA 0.316 4.636 4.320 -0.000 0.000 0.218 199 A C 2.265 179.586 177.584 -0.440 0.000 1.157 199 A CA 1.941 53.774 52.037 -0.340 0.000 0.670 199 A CB -1.188 17.245 19.000 -0.945 0.000 0.804 199 A HN 1.431 nan 8.150 nan 0.000 0.453 200 G N -0.885 107.712 108.800 -0.338 0.000 2.484 200 G HA2 0.147 4.107 3.960 -0.000 0.000 0.218 200 G HA3 0.147 4.107 3.960 -0.000 0.000 0.218 200 G C 1.478 176.200 174.900 -0.297 0.000 1.130 200 G CA 1.033 45.892 45.100 -0.402 0.000 0.784 200 G HN 0.676 nan 8.290 nan 0.000 0.543 201 A N 0.875 123.596 122.820 -0.166 0.000 1.975 201 A HA 0.540 4.860 4.320 -0.000 0.000 0.215 201 A C 2.707 180.236 177.584 -0.092 0.000 1.170 201 A CA 1.519 53.487 52.037 -0.115 0.000 0.656 201 A CB -0.483 18.483 19.000 -0.057 0.000 0.821 201 A HN 0.545 nan 8.150 nan 0.000 0.449 202 A N -0.247 122.578 122.820 0.009 0.000 1.902 202 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 202 A C 2.419 180.054 177.584 0.084 0.000 1.181 202 A CA 2.091 54.151 52.037 0.038 0.000 0.623 202 A CB -0.865 18.257 19.000 0.202 0.000 0.818 202 A HN 0.413 nan 8.150 nan 0.000 0.443 203 S N -0.497 115.245 115.700 0.069 0.000 2.353 203 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 203 S C 1.952 176.591 174.600 0.065 0.000 1.035 203 S CA 1.568 59.782 58.200 0.022 0.000 1.025 203 S CB -0.552 62.580 63.200 -0.113 0.000 0.902 203 S HN 0.365 nan 8.310 nan 0.000 0.440 204 V N 2.357 122.277 119.914 0.011 0.000 2.287 204 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 204 V C 2.728 178.873 176.094 0.084 0.000 1.053 204 V CA 2.083 64.395 62.300 0.021 0.000 1.027 204 V CB -1.236 30.536 31.823 -0.085 0.000 0.646 204 V HN 0.729 nan 8.190 nan 0.000 0.447 205 S N 0.164 115.876 115.700 0.019 0.000 2.383 205 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 205 S C 1.978 176.805 174.600 0.378 0.000 1.030 205 S CA 1.868 60.126 58.200 0.097 0.000 1.002 205 S CB -0.754 62.244 63.200 -0.335 0.000 0.829 205 S HN 0.517 nan 8.310 nan 0.000 0.467 206 L N 0.803 122.185 121.223 0.265 0.000 2.083 206 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 206 L C 2.930 179.905 176.870 0.174 0.000 1.083 206 L CA 1.523 56.467 54.840 0.174 0.000 0.752 206 L CB -0.794 41.293 42.059 0.047 0.000 0.899 206 L HN 0.431 nan 8.230 nan 0.000 0.433 207 H N -0.061 119.129 119.070 0.200 0.000 2.489 207 H HA -0.090 4.466 4.556 -0.000 0.000 0.293 207 H C 2.284 177.784 175.328 0.287 0.000 1.066 207 H CA 1.121 57.252 56.048 0.137 0.000 1.305 207 H CB 0.001 29.697 29.762 -0.110 0.000 1.386 207 H HN 0.370 nan 8.280 nan 0.000 0.551 208 L N 0.411 121.918 121.223 0.473 0.000 2.362 208 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 208 L C 2.016 179.151 176.870 0.442 0.000 1.134 208 L CA 0.558 55.729 54.840 0.552 0.000 0.807 208 L CB -0.052 42.332 42.059 0.541 0.000 0.927 208 L HN 0.225 nan 8.230 nan 0.000 0.447 209 L N -2.143 119.256 121.223 0.292 0.000 2.556 209 L HA 0.116 4.456 4.340 -0.000 0.000 0.226 209 L C 1.158 178.045 176.870 0.029 0.000 1.089 209 L CA 0.060 54.996 54.840 0.160 0.000 0.864 209 L CB 0.185 42.255 42.059 0.018 0.000 1.067 209 L HN 0.014 nan 8.230 nan 0.000 0.477 210 S N 1.471 117.149 115.700 -0.036 0.000 2.411 210 S HA 0.224 4.694 4.470 -0.000 0.000 0.294 210 S C -1.185 173.315 174.600 -0.166 0.000 1.115 210 S CA -1.586 56.419 58.200 -0.325 0.000 1.071 210 S CB 0.872 63.502 63.200 -0.949 0.000 0.967 210 S HN -0.034 nan 8.310 nan 0.000 0.488 211 P HA -0.142 nan 4.420 nan 0.000 0.218 211 P C 1.546 178.822 177.300 -0.039 0.000 1.152 211 P CA 1.600 64.650 63.100 -0.084 0.000 0.857 211 P CB -0.270 31.371 31.700 -0.099 0.000 0.787 212 G N -0.196 108.530 108.800 -0.125 0.000 2.446 212 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 212 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 212 G C 1.717 176.641 174.900 0.040 0.000 1.168 212 G CA 0.987 46.057 45.100 -0.050 0.000 0.771 212 G HN 0.269 nan 8.290 nan 0.000 0.551 213 S N -0.383 115.339 115.700 0.038 0.000 2.489 213 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 213 S C 1.807 176.610 174.600 0.338 0.000 0.995 213 S CA 0.786 59.128 58.200 0.236 0.000 0.934 213 S CB -0.251 63.185 63.200 0.393 0.000 0.771 213 S HN 0.713 nan 8.310 nan 0.000 0.522 214 H N 2.631 121.788 119.070 0.144 0.000 2.353 214 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 214 H C 1.814 177.119 175.328 -0.038 0.000 1.103 214 H CA 1.946 58.037 56.048 0.071 0.000 1.293 214 H CB -0.170 29.599 29.762 0.013 0.000 1.372 214 H HN 0.405 nan 8.280 nan 0.000 0.501 215 S N -0.377 115.332 115.700 0.015 0.000 2.679 215 S HA 0.142 4.612 4.470 -0.000 0.000 0.233 215 S C 0.988 175.578 174.600 -0.017 0.000 0.951 215 S CA -0.284 57.873 58.200 -0.072 0.000 0.973 215 S CB -0.238 62.997 63.200 0.057 0.000 0.778 215 S HN 0.473 nan 8.310 nan 0.000 0.477 216 L N 0.874 122.147 121.223 0.083 0.000 2.808 216 L HA 0.510 4.850 4.340 -0.000 0.000 0.246 216 L C -0.240 176.811 176.870 0.302 0.000 1.153 216 L CA -0.359 54.593 54.840 0.186 0.000 0.956 216 L CB -0.034 42.148 42.059 0.206 0.000 1.270 216 L HN 0.573 nan 8.230 nan 0.000 0.528 217 F N -4.765 115.156 119.950 -0.048 0.000 2.770 217 F HA 0.427 4.954 4.527 0.000 0.000 0.313 217 F C 0.321 176.095 175.800 -0.044 0.000 1.154 217 F CA -0.928 57.050 58.000 -0.037 0.000 0.923 217 F CB 0.534 39.517 39.000 -0.029 0.000 1.301 217 F HN -0.309 nan 8.300 nan 0.000 0.449 218 T N -0.367 114.161 114.554 -0.044 0.000 2.988 218 T HA 0.376 4.726 4.350 -0.000 0.000 0.240 218 T C 0.620 175.261 174.700 -0.098 0.000 1.014 218 T CA 0.569 62.576 62.100 -0.154 0.000 1.155 218 T CB 0.047 68.867 68.868 -0.080 0.000 0.872 218 T HN 0.516 nan 8.240 nan 0.000 0.440 219 R N -0.273 120.317 120.500 0.149 0.000 2.947 219 R HA 0.802 5.142 4.340 -0.000 0.000 0.253 219 R C -1.755 174.817 176.300 0.453 0.000 1.208 219 R CA -0.864 55.377 56.100 0.234 0.000 1.012 219 R CB 1.944 32.255 30.300 0.018 0.000 1.267 219 R HN 0.278 nan 8.270 nan 0.000 0.473 220 A N 1.140 124.227 122.820 0.445 0.000 2.488 220 A HA 0.584 4.904 4.320 -0.000 0.000 0.295 220 A C -1.250 176.414 177.584 0.134 0.000 1.045 220 A CA -0.590 51.626 52.037 0.297 0.000 0.703 220 A CB 1.036 20.211 19.000 0.291 0.000 1.271 220 A HN 0.539 nan 8.150 nan 0.000 0.400 221 I N 1.993 122.596 120.570 0.055 0.000 2.433 221 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 221 I C -1.178 174.956 176.117 0.027 0.000 1.001 221 I CA -0.721 60.531 61.300 -0.081 0.000 1.119 221 I CB 1.894 39.824 38.000 -0.117 0.000 1.289 221 I HN 0.403 nan 8.210 nan 0.000 0.438 222 L N 6.376 127.589 121.223 -0.016 0.000 2.433 222 L HA 0.330 4.670 4.340 -0.000 0.000 0.256 222 L C -0.341 176.544 176.870 0.026 0.000 1.063 222 L CA -0.149 54.669 54.840 -0.036 0.000 0.922 222 L CB 1.030 42.994 42.059 -0.159 0.000 1.238 222 L HN 0.520 nan 8.230 nan 0.000 0.466 223 Q N 1.388 121.267 119.800 0.133 0.000 2.361 223 Q HA 0.383 4.723 4.340 -0.000 0.000 0.250 223 Q C 0.261 176.310 176.000 0.083 0.000 1.023 223 Q CA -0.317 55.604 55.803 0.197 0.000 0.915 223 Q CB 0.634 29.569 28.738 0.328 0.000 1.238 223 Q HN 0.535 nan 8.270 nan 0.000 0.451 224 S N 1.204 116.939 115.700 0.058 0.000 3.697 224 S HA -0.120 4.349 4.470 -0.000 0.000 0.388 224 S C 0.038 174.826 174.600 0.314 0.000 0.941 224 S CA 0.361 58.631 58.200 0.116 0.000 1.247 224 S CB -1.367 61.807 63.200 -0.044 0.000 0.904 224 S HN 1.053 nan 8.310 nan 0.000 0.518 225 G N -0.440 108.519 108.800 0.265 0.000 2.384 225 G HA2 0.621 4.581 3.960 -0.000 0.000 0.300 225 G HA3 0.621 4.581 3.960 -0.000 0.000 0.300 225 G C -0.998 173.862 174.900 -0.067 0.000 1.582 225 G CA 0.137 45.428 45.100 0.319 0.000 0.875 225 G HN 1.480 nan 8.290 nan 0.000 0.628 226 S N -0.673 114.872 115.700 -0.259 0.000 2.586 226 S HA 0.500 4.970 4.470 -0.000 0.000 0.277 226 S C 0.600 174.833 174.600 -0.611 0.000 1.131 226 S CA -0.214 57.611 58.200 -0.626 0.000 0.848 226 S CB 0.731 63.400 63.200 -0.885 0.000 1.091 226 S HN 1.916 nan 8.310 nan 0.000 0.453 227 F N 1.590 121.307 119.950 -0.389 0.000 2.202 227 F HA -0.071 4.456 4.527 -0.001 0.000 0.301 227 F C 1.914 177.513 175.800 -0.335 0.000 1.082 227 F CA 1.405 59.219 58.000 -0.311 0.000 1.313 227 F CB -0.603 38.296 39.000 -0.168 0.000 1.024 227 F HN 0.690 nan 8.300 nan 0.000 0.495 228 N N 1.897 120.370 118.700 -0.379 0.000 2.521 228 N HA 0.047 4.787 4.740 -0.000 0.000 0.188 228 N C 0.556 175.865 175.510 -0.335 0.000 1.146 228 N CA 0.609 53.568 53.050 -0.151 0.000 0.893 228 N CB -0.534 37.880 38.487 -0.122 0.000 0.975 228 N HN 0.409 nan 8.380 nan 0.000 0.451 229 A N 2.060 124.523 122.820 -0.594 0.000 2.466 229 A HA 0.243 4.563 4.320 -0.000 0.000 0.238 229 A C -0.947 176.100 177.584 -0.896 0.000 1.074 229 A CA -0.964 50.562 52.037 -0.852 0.000 0.774 229 A CB 0.268 18.490 19.000 -1.296 0.000 1.015 229 A HN 0.124 nan 8.150 nan 0.000 0.498 230 P HA -0.155 nan 4.420 nan 0.000 0.217 230 P C 1.424 178.520 177.300 -0.339 0.000 1.150 230 P CA 1.719 64.548 63.100 -0.452 0.000 0.832 230 P CB -0.267 31.184 31.700 -0.415 0.000 0.787 231 W N 0.011 121.151 121.300 -0.267 0.000 2.525 231 W HA 0.230 4.889 4.660 -0.001 0.000 0.259 231 W C 1.609 178.057 176.519 -0.118 0.000 1.253 231 W CA 0.603 57.834 57.345 -0.189 0.000 1.262 231 W CB -1.802 27.518 29.460 -0.233 0.000 1.122 231 W HN -0.092 nan 8.180 nan 0.000 0.607 232 A N 1.312 123.768 122.820 -0.608 0.000 1.898 232 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 232 A C 1.021 178.455 177.584 -0.250 0.000 1.181 232 A CA 1.352 53.140 52.037 -0.416 0.000 0.620 232 A CB -0.679 17.906 19.000 -0.692 0.000 0.819 232 A HN 0.021 nan 8.150 nan 0.000 0.442 233 V N 0.973 120.747 119.914 -0.233 0.000 2.483 233 V HA 0.311 4.430 4.120 -0.000 0.000 0.297 233 V C -0.513 175.485 176.094 -0.160 0.000 1.027 233 V CA -0.684 61.489 62.300 -0.211 0.000 0.855 233 V CB 1.473 33.202 31.823 -0.158 0.000 0.995 233 V HN 0.272 nan 8.190 nan 0.000 0.424 234 T N 3.380 117.832 114.554 -0.170 0.000 2.832 234 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 234 T C 0.620 175.263 174.700 -0.094 0.000 0.968 234 T CA -0.126 61.902 62.100 -0.121 0.000 1.107 234 T CB 0.931 69.726 68.868 -0.122 0.000 0.916 234 T HN 0.919 nan 8.240 nan 0.000 0.517 235 S N 3.458 119.120 115.700 -0.063 0.000 2.573 235 S HA 0.138 4.608 4.470 -0.000 0.000 0.277 235 S C 1.515 176.074 174.600 -0.068 0.000 1.346 235 S CA -0.751 57.426 58.200 -0.038 0.000 1.034 235 S CB 0.184 63.387 63.200 0.005 0.000 0.879 235 S HN 0.633 nan 8.310 nan 0.000 0.528 236 L N 1.346 122.520 121.223 -0.081 0.000 2.081 236 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 236 L C 1.735 178.302 176.870 -0.505 0.000 1.080 236 L CA 1.749 56.428 54.840 -0.268 0.000 0.754 236 L CB -0.445 41.470 42.059 -0.240 0.000 0.893 236 L HN 0.814 nan 8.230 nan 0.000 0.433 237 Y N -1.387 118.908 120.300 -0.007 0.000 2.497 237 Y HA -0.013 4.537 4.550 -0.001 0.000 0.265 237 Y C 2.312 178.205 175.900 -0.011 0.000 1.111 237 Y CA 0.024 58.121 58.100 -0.006 0.000 1.288 237 Y CB 0.089 38.546 38.460 -0.005 0.000 1.082 237 Y HN 0.143 nan 8.280 nan 0.000 0.536 238 E N 0.464 120.688 120.200 0.039 0.000 2.077 238 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 238 E C 2.351 178.927 176.600 -0.039 0.000 0.989 238 E CA 1.144 57.540 56.400 -0.006 0.000 0.800 238 E CB -0.163 29.516 29.700 -0.034 0.000 0.746 238 E HN 0.455 nan 8.360 nan 0.000 0.452 239 A N 1.460 124.239 122.820 -0.068 0.000 1.877 239 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 239 A C 2.110 179.682 177.584 -0.020 0.000 1.186 239 A CA 1.742 53.751 52.037 -0.046 0.000 0.620 239 A CB -0.468 18.493 19.000 -0.065 0.000 0.822 239 A HN 0.054 nan 8.150 nan 0.000 0.443 240 R N 0.405 120.850 120.500 -0.093 0.000 2.097 240 R HA -0.223 4.117 4.340 -0.000 0.000 0.236 240 R C 2.112 178.438 176.300 0.042 0.000 1.135 240 R CA 2.289 58.372 56.100 -0.030 0.000 0.934 240 R CB -0.717 29.589 30.300 0.010 0.000 0.846 240 R HN 0.571 nan 8.270 nan 0.000 0.431 241 N N 0.127 118.861 118.700 0.056 0.000 2.061 241 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 241 N C 1.642 177.175 175.510 0.038 0.000 1.030 241 N CA 1.959 55.038 53.050 0.048 0.000 0.856 241 N CB -0.104 38.405 38.487 0.036 0.000 1.023 241 N HN 0.290 nan 8.380 nan 0.000 0.424 242 R N -0.821 119.693 120.500 0.023 0.000 2.062 242 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 242 R C 2.162 178.580 176.300 0.197 0.000 1.136 242 R CA 1.834 57.952 56.100 0.029 0.000 0.948 242 R CB -0.679 29.519 30.300 -0.169 0.000 0.845 242 R HN 0.246 nan 8.270 nan 0.000 0.430 243 T N 1.791 116.482 114.554 0.229 0.000 2.699 243 T HA -0.153 4.196 4.350 -0.000 0.000 0.268 243 T C 1.847 176.601 174.700 0.090 0.000 1.036 243 T CA 1.298 63.501 62.100 0.171 0.000 1.147 243 T CB -0.210 68.693 68.868 0.058 0.000 0.862 243 T HN 0.124 nan 8.240 nan 0.000 0.446 244 L N 0.937 122.201 121.223 0.069 0.000 2.005 244 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 244 L C 2.604 179.510 176.870 0.060 0.000 1.072 244 L CA 1.148 56.017 54.840 0.049 0.000 0.744 244 L CB -0.809 41.276 42.059 0.043 0.000 0.895 244 L HN 0.178 nan 8.230 nan 0.000 0.433 245 N N 0.454 119.195 118.700 0.068 0.000 2.091 245 N HA -0.238 4.502 4.740 -0.000 0.000 0.193 245 N C 1.726 177.294 175.510 0.098 0.000 1.021 245 N CA 1.318 54.410 53.050 0.070 0.000 0.862 245 N CB -0.565 37.958 38.487 0.061 0.000 1.018 245 N HN 0.163 nan 8.380 nan 0.000 0.429 246 L N 0.857 122.165 121.223 0.140 0.000 1.976 246 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 246 L C 2.155 179.081 176.870 0.094 0.000 1.071 246 L CA 1.847 56.780 54.840 0.154 0.000 0.746 246 L CB -0.996 41.184 42.059 0.203 0.000 0.890 246 L HN 0.178 nan 8.230 nan 0.000 0.432 247 A N -0.459 122.400 122.820 0.064 0.000 1.903 247 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 247 A C 2.290 179.899 177.584 0.041 0.000 1.191 247 A CA 2.446 54.506 52.037 0.039 0.000 0.638 247 A CB -0.658 18.355 19.000 0.021 0.000 0.823 247 A HN 0.560 nan 8.150 nan 0.000 0.451 248 K N -0.756 119.671 120.400 0.044 0.000 2.025 248 K HA -0.011 4.309 4.320 -0.000 0.000 0.207 248 K C 1.853 178.476 176.600 0.038 0.000 1.049 248 K CA 1.292 57.600 56.287 0.035 0.000 0.933 248 K CB -0.449 32.069 32.500 0.029 0.000 0.714 248 K HN 0.447 nan 8.250 nan 0.000 0.438 249 L N 1.404 122.661 121.223 0.055 0.000 2.349 249 L HA -0.150 4.189 4.340 -0.000 0.000 0.220 249 L C 2.179 179.083 176.870 0.058 0.000 1.130 249 L CA 1.397 56.273 54.840 0.059 0.000 0.791 249 L CB -0.398 41.722 42.059 0.103 0.000 0.918 249 L HN 0.412 nan 8.230 nan 0.000 0.444 250 T N -5.441 109.147 114.554 0.058 0.000 3.040 250 T HA 0.323 4.673 4.350 -0.000 0.000 0.266 250 T C 1.102 175.826 174.700 0.040 0.000 1.005 250 T CA 0.255 62.388 62.100 0.055 0.000 0.906 250 T CB 0.843 69.751 68.868 0.067 0.000 1.082 250 T HN 0.284 nan 8.240 nan 0.000 0.531 251 G N 0.150 108.970 108.800 0.033 0.000 2.303 251 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 251 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 251 G C 0.467 175.382 174.900 0.025 0.000 1.106 251 G CA -0.117 44.998 45.100 0.025 0.000 0.900 251 G HN 0.566 nan 8.290 nan 0.000 0.495 252 c N 0.082 118.698 118.600 0.027 0.000 3.336 252 c HA 0.493 5.062 4.570 -0.000 0.000 0.291 252 c C 1.856 175.956 174.090 0.016 0.000 1.363 252 c CA 0.531 56.874 56.329 0.023 0.000 1.737 252 c CB -0.515 42.011 42.510 0.026 0.000 2.274 252 c HN 0.754 nan 8.230 nan 0.000 0.663 253 S N 1.313 117.023 115.700 0.017 0.000 2.571 253 S HA 0.215 4.684 4.470 -0.000 0.000 0.298 253 S C 0.269 174.876 174.600 0.011 0.000 1.280 253 S CA 1.001 59.209 58.200 0.014 0.000 1.052 253 S CB 0.346 63.554 63.200 0.015 0.000 0.799 253 S HN 0.577 nan 8.310 nan 0.000 0.501 254 R N 0.562 121.067 120.500 0.009 0.000 3.174 254 R HA 0.364 4.704 4.340 -0.000 0.000 0.261 254 R C 0.348 176.653 176.300 0.007 0.000 1.071 254 R CA -0.280 55.825 56.100 0.007 0.000 0.936 254 R CB 0.397 30.700 30.300 0.005 0.000 1.436 254 R HN 0.675 nan 8.270 nan 0.000 0.424 255 E N -1.100 119.103 120.200 0.006 0.000 2.905 255 E HA 0.207 4.557 4.350 -0.000 0.000 0.197 255 E C -0.229 176.374 176.600 0.006 0.000 1.016 255 E CA -0.475 55.929 56.400 0.007 0.000 1.307 255 E CB -0.154 29.550 29.700 0.006 0.000 1.255 255 E HN 0.200 nan 8.360 nan 0.000 0.527 256 N N 2.467 121.170 118.700 0.005 0.000 2.381 256 N HA -0.107 4.633 4.740 -0.000 0.000 0.288 256 N C 0.509 176.019 175.510 0.000 0.000 1.346 256 N CA 0.371 53.423 53.050 0.003 0.000 0.970 256 N CB 0.452 38.941 38.487 0.004 0.000 1.351 256 N HN 0.346 nan 8.380 nan 0.000 0.488 257 E N 1.763 121.963 120.200 -0.001 0.000 2.077 257 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 257 E C 0.728 177.319 176.600 -0.015 0.000 0.989 257 E CA 1.360 57.757 56.400 -0.006 0.000 0.800 257 E CB 0.221 29.919 29.700 -0.003 0.000 0.746 257 E HN 0.657 nan 8.360 nan 0.000 0.452 258 T N 0.873 115.420 114.554 -0.011 0.000 2.778 258 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 258 T C 1.537 176.232 174.700 -0.010 0.000 1.050 258 T CA 1.209 63.301 62.100 -0.013 0.000 1.137 258 T CB -0.167 68.698 68.868 -0.005 0.000 0.860 258 T HN 0.265 nan 8.240 nan 0.000 0.468 259 E N 0.507 120.705 120.200 -0.004 0.000 2.106 259 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 259 E C 2.181 178.780 176.600 -0.001 0.000 0.984 259 E CA 0.822 57.223 56.400 0.001 0.000 0.806 259 E CB -0.290 29.413 29.700 0.004 0.000 0.750 259 E HN 0.558 nan 8.360 nan 0.000 0.458 260 I N 1.153 121.716 120.570 -0.011 0.000 2.248 260 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 260 I C 2.020 178.115 176.117 -0.036 0.000 1.107 260 I CA 0.803 62.091 61.300 -0.020 0.000 1.373 260 I CB -0.372 37.609 38.000 -0.031 0.000 1.055 260 I HN 0.142 nan 8.210 nan 0.000 0.418 261 I N 0.909 121.451 120.570 -0.048 0.000 2.716 261 I HA -0.109 4.061 4.170 -0.000 0.000 0.259 261 I C 2.267 178.400 176.117 0.027 0.000 1.172 261 I CA 1.277 62.541 61.300 -0.061 0.000 1.478 261 I CB -1.052 36.898 38.000 -0.083 0.000 1.104 261 I HN 0.271 nan 8.210 nan 0.000 0.439 262 K N -0.003 120.412 120.400 0.024 0.000 2.167 262 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 262 K C 2.303 178.932 176.600 0.047 0.000 1.052 262 K CA 0.985 57.296 56.287 0.039 0.000 0.956 262 K CB -0.320 32.194 32.500 0.024 0.000 0.735 262 K HN 0.282 nan 8.250 nan 0.000 0.451 263 c N 1.279 119.901 118.600 0.036 0.000 2.436 263 c HA -0.054 4.516 4.570 -0.000 0.000 0.277 263 c C 2.359 176.489 174.090 0.066 0.000 1.241 263 c CA 0.743 57.096 56.329 0.040 0.000 1.721 263 c CB -0.825 41.700 42.510 0.026 0.000 2.043 263 c HN 0.404 nan 8.230 nan 0.000 0.472 264 L N 0.141 121.417 121.223 0.088 0.000 2.217 264 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 264 L C 2.966 179.986 176.870 0.251 0.000 1.107 264 L CA 1.015 55.956 54.840 0.169 0.000 0.783 264 L CB -0.702 41.453 42.059 0.160 0.000 0.919 264 L HN 0.318 nan 8.230 nan 0.000 0.442 265 R N 0.003 120.638 120.500 0.225 0.000 2.152 265 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 265 R C 1.587 177.925 176.300 0.062 0.000 1.117 265 R CA 0.998 57.191 56.100 0.154 0.000 0.981 265 R CB -0.150 30.224 30.300 0.123 0.000 0.870 265 R HN 0.457 nan 8.270 nan 0.000 0.451 266 N N 0.363 119.100 118.700 0.062 0.000 2.299 266 N HA -0.007 4.733 4.740 -0.000 0.000 0.187 266 N C -0.054 175.474 175.510 0.031 0.000 1.099 266 N CA 0.162 53.233 53.050 0.035 0.000 0.867 266 N CB 0.587 39.093 38.487 0.031 0.000 0.974 266 N HN 0.109 nan 8.380 nan 0.000 0.477 267 K N 0.832 121.259 120.400 0.044 0.000 2.120 267 K HA 0.089 4.409 4.320 -0.000 0.000 0.245 267 K C -0.291 176.320 176.600 0.019 0.000 1.024 267 K CA -0.280 56.030 56.287 0.038 0.000 0.906 267 K CB 0.687 33.221 32.500 0.056 0.000 1.051 267 K HN -0.067 nan 8.250 nan 0.000 0.491 268 D N 1.183 121.594 120.400 0.019 0.000 2.304 268 D HA 0.064 4.704 4.640 -0.000 0.000 0.247 268 D C -1.729 174.575 176.300 0.006 0.000 1.089 268 D CA -1.660 52.344 54.000 0.007 0.000 0.910 268 D CB 1.298 42.105 40.800 0.012 0.000 1.199 268 D HN 0.215 nan 8.370 nan 0.000 0.426 269 P HA -0.168 nan 4.420 nan 0.000 0.218 269 P C 1.215 178.523 177.300 0.013 0.000 1.146 269 P CA 1.188 64.278 63.100 -0.018 0.000 0.820 269 P CB 0.433 32.117 31.700 -0.027 0.000 0.778 270 Q N -0.839 118.973 119.800 0.021 0.000 2.137 270 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 270 Q C 2.128 178.159 176.000 0.052 0.000 0.960 270 Q CA 1.047 56.871 55.803 0.035 0.000 0.847 270 Q CB -0.395 28.361 28.738 0.030 0.000 0.915 270 Q HN 0.411 nan 8.270 nan 0.000 0.448 271 E N 0.412 120.642 120.200 0.050 0.000 2.106 271 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 271 E C 2.091 178.741 176.600 0.084 0.000 0.984 271 E CA 0.520 56.959 56.400 0.065 0.000 0.806 271 E CB -0.002 29.731 29.700 0.056 0.000 0.750 271 E HN 0.305 nan 8.360 nan 0.000 0.458 272 I N 0.919 121.535 120.570 0.077 0.000 2.163 272 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 272 I C 2.498 178.676 176.117 0.103 0.000 1.085 272 I CA 0.960 62.315 61.300 0.092 0.000 1.347 272 I CB -0.195 37.852 38.000 0.078 0.000 1.044 272 I HN 0.123 nan 8.210 nan 0.000 0.408 273 L N -0.018 121.255 121.223 0.082 0.000 1.994 273 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 273 L C 2.514 179.441 176.870 0.095 0.000 1.071 273 L CA 1.582 56.472 54.840 0.084 0.000 0.745 273 L CB -0.488 41.607 42.059 0.060 0.000 0.892 273 L HN 0.244 nan 8.230 nan 0.000 0.431 274 L N -0.741 120.544 121.223 0.104 0.000 2.131 274 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 274 L C 1.931 178.926 176.870 0.209 0.000 1.092 274 L CA 1.535 56.455 54.840 0.134 0.000 0.759 274 L CB -0.711 41.436 42.059 0.146 0.000 0.903 274 L HN 0.320 nan 8.230 nan 0.000 0.435 275 N N -0.448 118.385 118.700 0.221 0.000 2.300 275 N HA -0.125 4.615 4.740 -0.000 0.000 0.179 275 N C 1.679 177.346 175.510 0.262 0.000 1.016 275 N CA 0.391 53.624 53.050 0.305 0.000 0.876 275 N CB 0.018 38.640 38.487 0.226 0.000 0.979 275 N HN 0.313 nan 8.380 nan 0.000 0.432 276 E N 0.835 121.160 120.200 0.208 0.000 2.108 276 E HA -0.280 4.070 4.350 -0.000 0.000 0.203 276 E C 1.822 178.479 176.600 0.095 0.000 1.022 276 E CA 1.366 57.917 56.400 0.251 0.000 0.823 276 E CB -0.151 29.700 29.700 0.252 0.000 0.744 276 E HN 0.448 nan 8.360 nan 0.000 0.456 277 A N -0.365 122.400 122.820 -0.090 0.000 2.178 277 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 277 A C 1.448 178.807 177.584 -0.376 0.000 1.157 277 A CA 0.930 52.781 52.037 -0.310 0.000 0.689 277 A CB -0.387 18.299 19.000 -0.523 0.000 0.787 277 A HN 0.252 nan 8.150 nan 0.000 0.465 278 F N -1.223 118.760 119.950 0.056 0.000 2.661 278 F HA 0.100 4.633 4.527 0.010 0.000 0.306 278 F C 1.783 177.596 175.800 0.022 0.000 1.094 278 F CA 0.232 58.254 58.000 0.037 0.000 1.254 278 F CB 0.779 39.806 39.000 0.045 0.000 1.040 278 F HN 0.114 nan 8.300 nan 0.000 0.562 279 V N -2.832 117.171 119.914 0.149 0.000 3.129 279 V HA 0.107 4.226 4.120 -0.000 0.000 0.259 279 V C 0.677 176.767 176.094 -0.005 0.000 1.116 279 V CA 0.213 62.564 62.300 0.085 0.000 1.127 279 V CB -0.700 31.180 31.823 0.095 0.000 0.742 279 V HN -0.055 nan 8.190 nan 0.000 0.474 280 V N 2.654 122.549 119.914 -0.032 0.000 2.567 280 V HA 0.322 4.442 4.120 -0.000 0.000 0.289 280 V C -0.305 175.751 176.094 -0.063 0.000 1.049 280 V CA -0.961 61.298 62.300 -0.068 0.000 0.969 280 V CB 1.478 33.250 31.823 -0.084 0.000 0.995 280 V HN 0.312 nan 8.190 nan 0.000 0.471 281 P HA -0.114 nan 4.420 nan 0.000 0.210 281 P C -0.324 176.731 177.300 -0.409 0.000 1.189 281 P CA 1.446 64.339 63.100 -0.346 0.000 0.920 281 P CB 0.127 31.565 31.700 -0.437 0.000 0.782 282 Y N -1.189 119.125 120.300 0.024 0.000 2.425 282 Y HA 0.594 5.143 4.550 -0.002 0.000 0.344 282 Y C 1.178 177.073 175.900 -0.008 0.000 0.969 282 Y CA -1.356 56.754 58.100 0.017 0.000 1.052 282 Y CB 1.822 40.295 38.460 0.021 0.000 1.215 282 Y HN -0.030 nan 8.280 nan 0.000 0.451 283 G N 0.646 109.528 108.800 0.136 0.000 2.543 283 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 283 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 283 G C -0.578 174.308 174.900 -0.023 0.000 1.310 283 G CA -0.387 44.728 45.100 0.026 0.000 1.025 283 G HN 0.618 nan 8.290 nan 0.000 0.502 284 T N -3.262 111.241 114.554 -0.085 0.000 2.843 284 T HA 0.518 4.868 4.350 -0.000 0.000 0.302 284 T C -2.445 172.152 174.700 -0.171 0.000 1.232 284 T CA -1.244 60.739 62.100 -0.195 0.000 1.009 284 T CB 1.921 70.683 68.868 -0.177 0.000 1.254 284 T HN 0.155 nan 8.240 nan 0.000 0.504 285 P HA 0.171 nan 4.420 nan 0.000 0.228 285 P C 0.754 178.041 177.300 -0.022 0.000 1.151 285 P CA 0.541 63.607 63.100 -0.057 0.000 0.770 285 P CB 0.050 31.787 31.700 0.061 0.000 0.786 286 L N -1.938 119.223 121.223 -0.104 0.000 2.769 286 L HA 0.189 4.529 4.340 -0.000 0.000 0.240 286 L C 0.700 177.506 176.870 -0.107 0.000 1.163 286 L CA -0.133 54.594 54.840 -0.190 0.000 0.962 286 L CB 0.129 41.980 42.059 -0.347 0.000 1.258 286 L HN -0.206 nan 8.230 nan 0.000 0.513 287 S N 0.375 116.031 115.700 -0.072 0.000 2.498 287 S HA 0.162 4.632 4.470 -0.000 0.000 0.281 287 S C 0.105 174.687 174.600 -0.031 0.000 1.265 287 S CA -0.330 57.842 58.200 -0.046 0.000 1.071 287 S CB 0.433 63.600 63.200 -0.055 0.000 0.894 287 S HN 0.017 nan 8.310 nan 0.000 0.491 288 V N 7.613 127.525 119.914 -0.003 0.000 2.240 288 V HA 0.211 4.331 4.120 -0.000 0.000 0.265 288 V C 0.906 176.952 176.094 -0.080 0.000 1.073 288 V CA -0.739 61.571 62.300 0.016 0.000 0.857 288 V CB 0.581 32.476 31.823 0.121 0.000 1.114 288 V HN 0.771 nan 8.190 nan 0.000 0.469 289 N N 2.884 121.509 118.700 -0.126 0.000 2.188 289 N HA -0.028 4.711 4.740 -0.000 0.000 0.184 289 N C 0.076 175.173 175.510 -0.689 0.000 1.018 289 N CA 1.485 54.314 53.050 -0.368 0.000 0.858 289 N CB -0.011 38.300 38.487 -0.292 0.000 0.989 289 N HN 0.570 nan 8.380 nan 0.000 0.426 290 F N -0.084 119.892 119.950 0.043 0.000 2.676 290 F HA 0.522 5.048 4.527 -0.002 0.000 0.371 290 F C 0.839 176.598 175.800 -0.069 0.000 1.141 290 F CA -0.920 57.116 58.000 0.061 0.000 1.133 290 F CB 1.308 40.414 39.000 0.177 0.000 1.376 290 F HN -0.166 nan 8.300 nan 0.000 0.491 291 G N 1.579 110.277 108.800 -0.169 0.000 2.938 291 G HA2 0.676 4.636 3.960 -0.000 0.000 0.258 291 G HA3 0.676 4.636 3.960 -0.000 0.000 0.258 291 G C -2.997 171.478 174.900 -0.708 0.000 1.356 291 G CA -2.141 42.500 45.100 -0.765 0.000 1.052 291 G HN 0.094 nan 8.290 nan 0.000 0.550 292 P HA 0.246 nan 4.420 nan 0.000 0.269 292 P C -0.157 176.991 177.300 -0.253 0.000 1.209 292 P CA 0.161 62.971 63.100 -0.484 0.000 0.776 292 P CB 0.948 32.283 31.700 -0.608 0.000 0.876 293 T N -1.937 112.540 114.554 -0.128 0.000 2.906 293 T HA 0.380 4.730 4.350 -0.000 0.000 0.295 293 T C -0.283 174.371 174.700 -0.077 0.000 1.075 293 T CA -0.931 61.111 62.100 -0.097 0.000 1.005 293 T CB 0.581 69.413 68.868 -0.059 0.000 1.136 293 T HN 0.000 nan 8.240 nan 0.000 0.498 294 V N 3.517 123.389 119.914 -0.070 0.000 2.416 294 V HA 0.086 4.205 4.120 -0.000 0.000 0.260 294 V C 1.235 177.320 176.094 -0.015 0.000 1.018 294 V CA 0.333 62.607 62.300 -0.043 0.000 1.120 294 V CB -0.794 31.004 31.823 -0.042 0.000 1.081 294 V HN 1.067 nan 8.190 nan 0.000 0.474 295 D N 3.198 123.613 120.400 0.025 0.000 2.360 295 D HA 0.112 4.752 4.640 -0.000 0.000 0.210 295 D C 1.518 177.860 176.300 0.069 0.000 1.047 295 D CA 0.827 54.860 54.000 0.055 0.000 0.854 295 D CB 0.728 41.598 40.800 0.116 0.000 0.936 295 D HN 0.705 nan 8.370 nan 0.000 0.514 296 G N 1.148 109.984 108.800 0.060 0.000 2.284 296 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.261 296 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.261 296 G C 0.823 175.772 174.900 0.080 0.000 0.997 296 G CA 0.834 45.966 45.100 0.053 0.000 0.621 296 G HN 0.541 nan 8.290 nan 0.000 0.534 297 D N -0.898 119.591 120.400 0.147 0.000 2.584 297 D HA 0.198 4.838 4.640 -0.000 0.000 0.254 297 D C 1.908 178.362 176.300 0.256 0.000 1.085 297 D CA 0.915 55.043 54.000 0.213 0.000 0.971 297 D CB -0.326 40.641 40.800 0.278 0.000 1.103 297 D HN 0.283 nan 8.370 nan 0.000 0.453 298 F N 1.338 121.381 119.950 0.155 0.000 1.992 298 F HA 0.172 4.699 4.527 0.000 0.000 0.292 298 F C 0.661 176.399 175.800 -0.103 0.000 1.192 298 F CA 0.872 58.798 58.000 -0.123 0.000 1.157 298 F CB -0.446 38.241 39.000 -0.522 0.000 0.981 298 F HN -0.104 nan 8.300 nan 0.000 0.483 299 L N 1.394 122.765 121.223 0.246 0.000 2.477 299 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 299 L C 1.239 178.124 176.870 0.026 0.000 1.157 299 L CA 0.272 55.151 54.840 0.066 0.000 0.889 299 L CB 0.810 42.891 42.059 0.037 0.000 1.158 299 L HN 0.418 nan 8.230 nan 0.000 0.473 300 T N -2.190 112.352 114.554 -0.019 0.000 3.107 300 T HA 0.166 4.516 4.350 -0.000 0.000 0.249 300 T C 0.096 174.784 174.700 -0.020 0.000 1.096 300 T CA -0.233 61.860 62.100 -0.013 0.000 1.012 300 T CB -0.015 68.835 68.868 -0.030 0.000 0.977 300 T HN 0.585 nan 8.240 nan 0.000 0.527 301 D N -0.421 119.960 120.400 -0.032 0.000 2.783 301 D HA 0.163 4.803 4.640 -0.000 0.000 0.253 301 D C -0.922 175.345 176.300 -0.053 0.000 1.206 301 D CA -0.657 53.323 54.000 -0.033 0.000 0.740 301 D CB 0.813 41.592 40.800 -0.035 0.000 1.313 301 D HN 0.084 nan 8.370 nan 0.000 0.427 302 M N 2.891 122.464 119.600 -0.045 0.000 2.323 302 M HA 0.031 4.510 4.480 -0.000 0.000 0.386 302 M C -1.309 174.930 176.300 -0.101 0.000 1.525 302 M CA -0.426 54.837 55.300 -0.062 0.000 0.914 302 M CB 0.340 32.923 32.600 -0.029 0.000 2.042 302 M HN 0.291 nan 8.290 nan 0.000 0.483 303 P HA -0.172 nan 4.420 nan 0.000 0.218 303 P C 0.410 177.603 177.300 -0.178 0.000 1.149 303 P CA 1.384 64.262 63.100 -0.371 0.000 0.817 303 P CB -0.081 31.134 31.700 -0.808 0.000 0.785 304 D N -0.341 120.028 120.400 -0.051 0.000 2.311 304 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 304 D C 1.914 178.269 176.300 0.092 0.000 0.972 304 D CA 0.915 54.972 54.000 0.095 0.000 0.887 304 D CB 0.061 40.901 40.800 0.067 0.000 0.915 304 D HN 0.336 nan 8.370 nan 0.000 0.497 305 I N -0.015 120.579 120.570 0.039 0.000 2.899 305 I HA -0.095 4.075 4.170 -0.000 0.000 0.257 305 I C 2.333 178.470 176.117 0.034 0.000 1.115 305 I CA 0.087 61.410 61.300 0.039 0.000 1.451 305 I CB 0.049 38.055 38.000 0.010 0.000 1.251 305 I HN -0.157 nan 8.210 nan 0.000 0.456 306 L N 0.535 121.758 121.223 0.001 0.000 2.089 306 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 306 L C 2.555 179.474 176.870 0.082 0.000 1.079 306 L CA 1.228 56.065 54.840 -0.005 0.000 0.758 306 L CB -0.619 41.427 42.059 -0.023 0.000 0.891 306 L HN 0.313 nan 8.230 nan 0.000 0.433 307 L N 0.061 121.398 121.223 0.190 0.000 1.961 307 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 307 L C 2.533 179.536 176.870 0.222 0.000 1.072 307 L CA 1.839 56.868 54.840 0.316 0.000 0.749 307 L CB -0.579 41.731 42.059 0.418 0.000 0.889 307 L HN 0.116 nan 8.230 nan 0.000 0.432 308 E N -0.333 119.982 120.200 0.191 0.000 2.147 308 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 308 E C 1.813 178.542 176.600 0.215 0.000 1.005 308 E CA 1.564 58.090 56.400 0.211 0.000 0.810 308 E CB -0.334 29.459 29.700 0.156 0.000 0.736 308 E HN 0.556 nan 8.360 nan 0.000 0.460 309 L N -1.441 119.808 121.223 0.042 0.000 2.653 309 L HA 0.274 4.614 4.340 -0.000 0.000 0.231 309 L C 1.289 177.797 176.870 -0.604 0.000 1.153 309 L CA 0.235 55.034 54.840 -0.068 0.000 0.933 309 L CB -0.087 41.935 42.059 -0.060 0.000 1.175 309 L HN 0.340 nan 8.230 nan 0.000 0.473 310 G N -0.189 108.000 108.800 -1.018 0.000 2.155 310 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 310 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 310 G C 0.347 174.291 174.900 -1.593 0.000 0.983 310 G CA -0.093 43.699 45.100 -2.180 0.000 0.676 310 G HN 0.416 nan 8.290 nan 0.000 0.528 311 Q N -0.057 119.256 119.800 -0.811 0.000 2.452 311 Q HA 0.541 4.881 4.340 -0.000 0.000 0.230 311 Q C 0.026 175.851 176.000 -0.292 0.000 1.180 311 Q CA 0.313 55.795 55.803 -0.536 0.000 0.914 311 Q CB -0.412 28.162 28.738 -0.274 0.000 1.408 311 Q HN 0.882 nan 8.270 nan 0.000 0.520 312 F N -2.125 117.740 119.950 -0.141 0.000 2.773 312 F HA 0.418 4.945 4.527 -0.000 0.000 0.314 312 F C -0.441 175.399 175.800 0.067 0.000 1.160 312 F CA -1.750 56.262 58.000 0.020 0.000 0.920 312 F CB 0.874 39.946 39.000 0.120 0.000 1.323 312 F HN -0.017 nan 8.300 nan 0.000 0.457 313 K N 1.825 122.529 120.400 0.506 0.000 2.472 313 K HA 0.094 4.414 4.320 -0.000 0.000 0.280 313 K C -0.770 176.091 176.600 0.436 0.000 1.028 313 K CA -0.091 56.426 56.287 0.383 0.000 1.045 313 K CB 0.434 33.060 32.500 0.209 0.000 0.902 313 K HN 0.506 nan 8.250 nan 0.000 0.478 314 K N 3.400 123.938 120.400 0.230 0.000 2.264 314 K HA 0.197 4.517 4.320 -0.000 0.000 0.277 314 K C -0.268 176.439 176.600 0.178 0.000 1.067 314 K CA -0.266 56.136 56.287 0.191 0.000 0.900 314 K CB 1.553 34.087 32.500 0.058 0.000 1.124 314 K HN 0.716 nan 8.250 nan 0.000 0.469 315 T N 1.190 115.926 114.554 0.304 0.000 2.718 315 T HA 0.221 4.571 4.350 -0.000 0.000 0.306 315 T C -1.415 173.522 174.700 0.394 0.000 1.485 315 T CA -0.685 61.564 62.100 0.249 0.000 0.997 315 T CB 0.971 69.925 68.868 0.143 0.000 1.504 315 T HN 0.388 nan 8.240 nan 0.000 0.497 316 Q N 1.254 121.225 119.800 0.285 0.000 2.394 316 Q HA 0.678 5.018 4.340 -0.000 0.000 0.248 316 Q C -0.053 176.247 176.000 0.501 0.000 0.992 316 Q CA -0.156 55.880 55.803 0.390 0.000 0.888 316 Q CB 0.515 29.427 28.738 0.289 0.000 1.257 316 Q HN 0.656 nan 8.270 nan 0.000 0.462 317 I N -1.891 118.950 120.570 0.451 0.000 2.686 317 I HA 0.594 4.764 4.170 -0.000 0.000 0.295 317 I C -1.442 174.655 176.117 -0.035 0.000 1.114 317 I CA -1.270 60.139 61.300 0.182 0.000 1.038 317 I CB 1.610 39.481 38.000 -0.216 0.000 1.238 317 I HN 0.458 nan 8.210 nan 0.000 0.420 318 L N 6.124 127.071 121.223 -0.461 0.000 2.322 318 L HA 0.818 5.158 4.340 -0.000 0.000 0.281 318 L C -1.162 175.550 176.870 -0.264 0.000 1.014 318 L CA -0.700 53.782 54.840 -0.597 0.000 0.815 318 L CB 1.746 43.010 42.059 -1.325 0.000 1.247 318 L HN 0.587 nan 8.230 nan 0.000 0.421 319 V N 3.121 122.961 119.914 -0.122 0.000 2.932 319 V HA 0.943 5.063 4.120 -0.000 0.000 0.307 319 V C -0.047 175.600 176.094 -0.745 0.000 1.147 319 V CA -0.429 61.757 62.300 -0.190 0.000 0.951 319 V CB 1.666 33.487 31.823 -0.003 0.000 1.031 319 V HN 0.894 nan 8.190 nan 0.000 0.426 320 G N 1.252 109.364 108.800 -1.146 0.000 2.559 320 G HA2 0.836 4.796 3.960 -0.000 0.000 0.291 320 G HA3 0.836 4.796 3.960 -0.000 0.000 0.291 320 G C -1.336 172.963 174.900 -1.001 0.000 1.424 320 G CA 0.106 43.919 45.100 -2.145 0.000 0.786 320 G HN 1.494 nan 8.290 nan 0.000 0.485 321 V N -2.686 116.859 119.914 -0.615 0.000 3.105 321 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 321 V C -1.140 175.008 176.094 0.090 0.000 1.287 321 V CA -1.473 60.794 62.300 -0.055 0.000 1.066 321 V CB 1.876 33.802 31.823 0.172 0.000 1.105 321 V HN 0.635 nan 8.190 nan 0.000 0.462 322 N N 0.601 119.361 118.700 0.100 0.000 2.370 322 N HA 0.438 5.178 4.740 -0.000 0.000 0.303 322 N C 0.476 175.971 175.510 -0.025 0.000 1.103 322 N CA -0.760 52.321 53.050 0.051 0.000 0.848 322 N CB 1.918 40.454 38.487 0.082 0.000 1.235 322 N HN 0.846 nan 8.380 nan 0.000 0.496 323 K N 0.208 120.451 120.400 -0.261 0.000 2.173 323 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 323 K C -0.670 175.991 176.600 0.102 0.000 1.046 323 K CA 1.405 57.609 56.287 -0.137 0.000 0.929 323 K CB 0.171 32.564 32.500 -0.179 0.000 0.720 323 K HN 0.543 nan 8.250 nan 0.000 0.453 324 D N 0.554 120.993 120.400 0.065 0.000 2.938 324 D HA 0.038 4.678 4.640 -0.000 0.000 0.369 324 D C 0.282 176.616 176.300 0.057 0.000 1.301 324 D CA -0.106 53.940 54.000 0.077 0.000 0.805 324 D CB 0.946 41.769 40.800 0.037 0.000 1.161 324 D HN 0.099 nan 8.370 nan 0.000 0.474 325 E N 0.242 120.492 120.200 0.083 0.000 2.219 325 E HA -0.131 4.219 4.350 -0.000 0.000 0.198 325 E C 1.860 178.514 176.600 0.090 0.000 0.998 325 E CA 0.747 57.163 56.400 0.028 0.000 0.818 325 E CB 0.188 29.896 29.700 0.014 0.000 0.741 325 E HN 0.378 nan 8.360 nan 0.000 0.477 326 G N 0.800 109.680 108.800 0.132 0.000 2.744 326 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.211 326 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.211 326 G C 1.673 176.651 174.900 0.129 0.000 1.146 326 G CA 0.866 46.062 45.100 0.160 0.000 0.787 326 G HN 0.352 nan 8.290 nan 0.000 0.534 327 T N -0.627 113.953 114.554 0.042 0.000 2.857 327 T HA 0.135 4.485 4.350 -0.000 0.000 0.266 327 T C 2.601 177.223 174.700 -0.129 0.000 1.048 327 T CA 1.420 63.522 62.100 0.002 0.000 1.139 327 T CB -0.380 68.457 68.868 -0.052 0.000 0.874 327 T HN 0.249 nan 8.240 nan 0.000 0.455 328 A N 0.936 123.572 122.820 -0.308 0.000 2.042 328 A HA 0.002 4.322 4.320 -0.000 0.000 0.222 328 A C 1.876 179.185 177.584 -0.458 0.000 1.167 328 A CA 1.482 53.157 52.037 -0.603 0.000 0.649 328 A CB -1.139 17.346 19.000 -0.857 0.000 0.809 328 A HN 0.614 nan 8.150 nan 0.000 0.457 329 F N -1.092 118.832 119.950 -0.043 0.000 2.698 329 F HA 0.212 4.739 4.527 -0.001 0.000 0.295 329 F C 1.722 177.698 175.800 0.292 0.000 1.124 329 F CA 0.220 58.287 58.000 0.112 0.000 1.426 329 F CB -0.093 38.953 39.000 0.076 0.000 1.120 329 F HN 0.047 nan 8.300 nan 0.000 0.583 330 L N 0.206 121.584 121.223 0.259 0.000 2.456 330 L HA -0.076 4.264 4.340 -0.000 0.000 0.224 330 L C 1.775 178.741 176.870 0.161 0.000 1.148 330 L CA 0.536 55.397 54.840 0.036 0.000 0.825 330 L CB -0.452 41.259 42.059 -0.580 0.000 0.937 330 L HN 0.140 nan 8.230 nan 0.000 0.450 331 V N -5.772 114.327 119.914 0.309 0.000 3.444 331 V HA 0.041 4.161 4.120 -0.000 0.000 0.308 331 V C 0.538 176.704 176.094 0.120 0.000 1.371 331 V CA 0.065 62.548 62.300 0.304 0.000 1.141 331 V CB -0.880 31.148 31.823 0.343 0.000 1.037 331 V HN 0.264 nan 8.190 nan 0.000 0.433 332 Y N 0.885 121.323 120.300 0.230 0.000 2.715 332 Y HA 0.740 5.289 4.550 -0.001 0.000 0.255 332 Y C 1.483 177.417 175.900 0.057 0.000 1.139 332 Y CA 0.172 58.361 58.100 0.150 0.000 1.151 332 Y CB 1.393 39.939 38.460 0.144 0.000 1.201 332 Y HN 0.313 nan 8.280 nan 0.000 0.556 333 G N -0.577 108.315 108.800 0.153 0.000 3.724 333 G HA2 0.107 4.067 3.960 -0.000 0.000 0.212 333 G HA3 0.107 4.067 3.960 -0.000 0.000 0.212 333 G C -0.027 174.907 174.900 0.056 0.000 0.928 333 G CA -0.102 45.017 45.100 0.031 0.000 0.879 333 G HN 0.276 nan 8.290 nan 0.000 0.424 334 A N 2.928 125.844 122.820 0.161 0.000 2.350 334 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 334 A C -1.964 175.852 177.584 0.386 0.000 1.231 334 A CA -1.128 51.073 52.037 0.274 0.000 0.883 334 A CB -0.073 19.127 19.000 0.332 0.000 1.133 334 A HN 0.137 nan 8.150 nan 0.000 0.533 335 P HA 0.060 nan 4.420 nan 0.000 0.264 335 P C 1.106 178.488 177.300 0.138 0.000 1.173 335 P CA 1.855 65.052 63.100 0.161 0.000 0.761 335 P CB 0.544 32.303 31.700 0.098 0.000 0.794 336 G N 1.205 110.010 108.800 0.010 0.000 2.217 336 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 336 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 336 G C -0.183 174.495 174.900 -0.369 0.000 0.990 336 G CA -0.427 44.547 45.100 -0.210 0.000 0.627 336 G HN 0.428 nan 8.290 nan 0.000 0.522 337 F N 1.496 121.453 119.950 0.013 0.000 2.420 337 F HA 0.737 5.264 4.527 -0.001 0.000 0.342 337 F C 0.591 176.465 175.800 0.123 0.000 1.113 337 F CA -0.168 57.850 58.000 0.030 0.000 1.059 337 F CB 2.276 41.344 39.000 0.112 0.000 1.128 337 F HN 0.092 nan 8.300 nan 0.000 0.475 338 S N 2.104 118.000 115.700 0.326 0.000 2.572 338 S HA 0.247 4.717 4.470 -0.000 0.000 0.274 338 S C 0.309 175.171 174.600 0.437 0.000 1.150 338 S CA -1.003 57.388 58.200 0.318 0.000 0.944 338 S CB 1.050 64.352 63.200 0.169 0.000 1.071 338 S HN 0.742 nan 8.310 nan 0.000 0.479 339 K N 1.977 122.579 120.400 0.337 0.000 2.585 339 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 339 K C -0.154 176.530 176.600 0.140 0.000 1.037 339 K CA 1.144 57.570 56.287 0.231 0.000 0.964 339 K CB -0.085 32.331 32.500 -0.140 0.000 0.787 339 K HN 0.391 nan 8.250 nan 0.000 0.488 340 D N 0.729 121.216 120.400 0.145 0.000 2.440 340 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 340 D C -0.586 175.768 176.300 0.090 0.000 1.150 340 D CA 0.031 54.069 54.000 0.064 0.000 0.832 340 D CB 0.264 41.071 40.800 0.011 0.000 0.992 340 D HN 0.475 nan 8.370 nan 0.000 0.502 341 N N -0.809 117.981 118.700 0.151 0.000 3.116 341 N HA -0.023 4.717 4.740 -0.000 0.000 0.244 341 N C -0.032 175.557 175.510 0.131 0.000 1.485 341 N CA -0.701 52.411 53.050 0.104 0.000 0.884 341 N CB -0.024 38.478 38.487 0.026 0.000 1.415 341 N HN -0.304 nan 8.380 nan 0.000 0.524 342 N N -0.789 117.942 118.700 0.052 0.000 2.680 342 N HA -0.045 4.694 4.740 -0.000 0.000 0.197 342 N C -0.498 174.790 175.510 -0.370 0.000 1.288 342 N CA 0.662 53.696 53.050 -0.027 0.000 0.924 342 N CB -0.523 37.969 38.487 0.008 0.000 1.025 342 N HN 0.549 nan 8.380 nan 0.000 0.447 343 S N -1.043 114.411 115.700 -0.411 0.000 3.364 343 S HA -0.163 4.307 4.470 -0.000 0.000 0.361 343 S C 0.171 174.382 174.600 -0.648 0.000 1.107 343 S CA 0.264 58.076 58.200 -0.647 0.000 1.029 343 S CB -1.222 61.303 63.200 -1.125 0.000 0.912 343 S HN 0.449 nan 8.310 nan 0.000 0.513 344 I N 1.915 122.252 120.570 -0.387 0.000 2.752 344 I HA 0.090 4.260 4.170 -0.000 0.000 0.289 344 I C 0.697 176.643 176.117 -0.285 0.000 1.197 344 I CA 0.637 61.771 61.300 -0.277 0.000 1.432 344 I CB -0.488 37.414 38.000 -0.162 0.000 1.359 344 I HN 0.388 nan 8.210 nan 0.000 0.571 345 I N 2.689 123.127 120.570 -0.220 0.000 2.892 345 I HA 0.627 4.796 4.170 -0.000 0.000 0.306 345 I C 0.247 176.335 176.117 -0.048 0.000 1.078 345 I CA -0.810 60.377 61.300 -0.187 0.000 1.032 345 I CB 2.169 39.997 38.000 -0.287 0.000 1.229 345 I HN 0.565 nan 8.210 nan 0.000 0.435 346 T N -0.054 114.443 114.554 -0.094 0.000 2.913 346 T HA 0.358 4.708 4.350 -0.000 0.000 0.287 346 T C 0.931 175.416 174.700 -0.358 0.000 1.008 346 T CA -0.493 61.517 62.100 -0.150 0.000 1.067 346 T CB 1.773 70.581 68.868 -0.101 0.000 0.996 346 T HN 0.897 nan 8.240 nan 0.000 0.513 347 R N 1.215 121.292 120.500 -0.704 0.000 2.103 347 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 347 R C 2.079 178.221 176.300 -0.263 0.000 1.142 347 R CA 2.089 57.632 56.100 -0.929 0.000 0.960 347 R CB -0.366 29.564 30.300 -0.617 0.000 0.858 347 R HN 0.812 nan 8.270 nan 0.000 0.439 348 K N 0.190 120.512 120.400 -0.132 0.000 2.063 348 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 348 K C 2.051 178.669 176.600 0.030 0.000 1.048 348 K CA 2.042 58.318 56.287 -0.018 0.000 0.928 348 K CB -0.154 32.338 32.500 -0.013 0.000 0.713 348 K HN 0.352 nan 8.250 nan 0.000 0.442 349 E N 0.204 120.408 120.200 0.006 0.000 2.107 349 E HA -0.134 4.215 4.350 -0.000 0.000 0.191 349 E C 1.767 178.454 176.600 0.145 0.000 0.982 349 E CA 0.661 57.092 56.400 0.052 0.000 0.809 349 E CB -0.149 29.550 29.700 -0.002 0.000 0.756 349 E HN 0.276 nan 8.360 nan 0.000 0.459 350 F N 2.087 122.038 119.950 0.003 0.000 2.154 350 F HA -0.292 4.235 4.527 0.000 0.000 0.301 350 F C 2.038 177.936 175.800 0.164 0.000 1.087 350 F CA 1.719 59.798 58.000 0.132 0.000 1.274 350 F CB 0.149 39.224 39.000 0.125 0.000 1.009 350 F HN -0.020 nan 8.300 nan 0.000 0.485 351 Q N -0.357 119.641 119.800 0.330 0.000 2.204 351 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 351 Q C 2.045 178.136 176.000 0.151 0.000 0.946 351 Q CA 1.023 56.983 55.803 0.262 0.000 0.859 351 Q CB -0.334 28.549 28.738 0.241 0.000 0.946 351 Q HN 0.517 nan 8.270 nan 0.000 0.474 352 E N 0.898 121.171 120.200 0.122 0.000 2.086 352 E HA -0.214 4.136 4.350 -0.000 0.000 0.200 352 E C 2.073 178.733 176.600 0.099 0.000 1.012 352 E CA 1.222 57.677 56.400 0.092 0.000 0.812 352 E CB -0.239 29.507 29.700 0.076 0.000 0.743 352 E HN 0.496 nan 8.360 nan 0.000 0.453 353 G N 1.150 110.018 108.800 0.113 0.000 2.421 353 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 353 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 353 G C 1.580 176.574 174.900 0.156 0.000 1.171 353 G CA 0.423 45.606 45.100 0.138 0.000 0.775 353 G HN 0.114 nan 8.290 nan 0.000 0.543 354 L N -0.178 121.096 121.223 0.086 0.000 2.129 354 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 354 L C 2.905 179.948 176.870 0.287 0.000 1.087 354 L CA 1.334 56.311 54.840 0.228 0.000 0.757 354 L CB -0.252 41.941 42.059 0.223 0.000 0.896 354 L HN 0.228 nan 8.230 nan 0.000 0.434 355 K N -0.503 120.001 120.400 0.173 0.000 2.296 355 K HA -0.066 4.254 4.320 -0.000 0.000 0.200 355 K C 1.950 178.574 176.600 0.040 0.000 1.048 355 K CA 0.547 56.907 56.287 0.121 0.000 0.966 355 K CB 0.200 32.742 32.500 0.071 0.000 0.754 355 K HN 0.170 nan 8.250 nan 0.000 0.466 356 I N -0.036 120.529 120.570 -0.009 0.000 2.252 356 I HA -0.188 3.981 4.170 -0.000 0.000 0.245 356 I C 1.667 177.572 176.117 -0.354 0.000 1.102 356 I CA 1.634 62.817 61.300 -0.196 0.000 1.385 356 I CB -0.766 37.071 38.000 -0.272 0.000 1.064 356 I HN 0.046 nan 8.210 nan 0.000 0.414 357 F N -0.743 119.124 119.950 -0.138 0.000 2.698 357 F HA 0.113 4.641 4.527 0.002 0.000 0.295 357 F C 0.590 176.004 175.800 -0.644 0.000 1.124 357 F CA 0.281 58.038 58.000 -0.405 0.000 1.426 357 F CB 0.022 38.692 39.000 -0.549 0.000 1.120 357 F HN -0.177 nan 8.300 nan 0.000 0.583 358 F N 0.615 120.651 119.950 0.142 0.000 2.769 358 F HA 0.320 4.847 4.527 -0.000 0.000 0.358 358 F C -1.933 173.927 175.800 0.101 0.000 1.285 358 F CA -1.814 56.258 58.000 0.120 0.000 1.199 358 F CB 0.603 39.678 39.000 0.125 0.000 1.558 358 F HN -0.248 nan 8.300 nan 0.000 0.583 359 P HA 0.009 nan 4.420 nan 0.000 0.217 359 P C 1.212 178.611 177.300 0.164 0.000 1.154 359 P CA 0.928 64.102 63.100 0.122 0.000 0.841 359 P CB 0.428 32.174 31.700 0.077 0.000 0.790 360 G N 0.443 109.369 108.800 0.211 0.000 3.741 360 G HA2 0.417 4.377 3.960 -0.000 0.000 0.263 360 G HA3 0.417 4.377 3.960 -0.000 0.000 0.263 360 G C -0.395 174.616 174.900 0.184 0.000 1.175 360 G CA -0.023 45.197 45.100 0.200 0.000 1.642 360 G HN 0.100 nan 8.290 nan 0.000 0.644 361 V N 0.246 120.273 119.914 0.188 0.000 2.962 361 V HA 0.507 4.627 4.120 -0.000 0.000 0.313 361 V C 0.557 176.732 176.094 0.136 0.000 1.099 361 V CA -0.920 61.484 62.300 0.174 0.000 0.971 361 V CB 2.107 34.083 31.823 0.256 0.000 1.028 361 V HN 0.529 nan 8.190 nan 0.000 0.430 362 S N 1.828 117.587 115.700 0.100 0.000 2.587 362 S HA 0.126 4.596 4.470 -0.000 0.000 0.260 362 S C 0.772 175.458 174.600 0.142 0.000 1.353 362 S CA -0.078 58.185 58.200 0.105 0.000 0.995 362 S CB 0.591 63.845 63.200 0.090 0.000 0.912 362 S HN 0.765 nan 8.310 nan 0.000 0.568 363 E N 0.216 120.505 120.200 0.148 0.000 2.274 363 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 363 E C 1.245 178.000 176.600 0.257 0.000 0.996 363 E CA 0.834 57.336 56.400 0.169 0.000 0.840 363 E CB -0.382 29.395 29.700 0.127 0.000 0.772 363 E HN 0.736 nan 8.360 nan 0.000 0.491 364 F N 0.691 120.670 119.950 0.049 0.000 2.219 364 F HA 0.052 4.578 4.527 -0.001 0.000 0.294 364 F C 2.270 178.119 175.800 0.082 0.000 1.086 364 F CA 0.607 58.636 58.000 0.048 0.000 1.330 364 F CB -0.107 38.891 39.000 -0.004 0.000 1.047 364 F HN 0.162 nan 8.300 nan 0.000 0.495 365 G N 1.020 109.891 108.800 0.118 0.000 2.599 365 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.219 365 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.219 365 G C 1.606 176.622 174.900 0.194 0.000 1.193 365 G CA 1.331 46.495 45.100 0.108 0.000 0.778 365 G HN 0.298 nan 8.290 nan 0.000 0.589 366 K N 0.050 120.556 120.400 0.176 0.000 2.031 366 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 366 K C 2.432 179.159 176.600 0.212 0.000 1.049 366 K CA 1.111 57.506 56.287 0.180 0.000 0.939 366 K CB -0.160 32.459 32.500 0.200 0.000 0.717 366 K HN 0.352 nan 8.250 nan 0.000 0.438 367 E N 0.834 121.161 120.200 0.213 0.000 2.204 367 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 367 E C 2.021 178.739 176.600 0.197 0.000 0.990 367 E CA 1.363 57.896 56.400 0.222 0.000 0.821 367 E CB 0.158 30.012 29.700 0.258 0.000 0.750 367 E HN 0.316 nan 8.360 nan 0.000 0.477 368 S N 0.084 115.857 115.700 0.121 0.000 2.362 368 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 368 S C 2.007 176.734 174.600 0.212 0.000 1.032 368 S CA 0.585 58.882 58.200 0.161 0.000 0.973 368 S CB -0.451 62.773 63.200 0.039 0.000 0.849 368 S HN 0.207 nan 8.310 nan 0.000 0.465 369 I N 1.832 122.530 120.570 0.213 0.000 2.118 369 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 369 I C 2.662 178.860 176.117 0.135 0.000 1.070 369 I CA 1.547 62.881 61.300 0.057 0.000 1.327 369 I CB -0.520 37.538 38.000 0.097 0.000 1.034 369 I HN 0.292 nan 8.210 nan 0.000 0.405 370 L N -0.091 121.286 121.223 0.257 0.000 2.021 370 L HA -0.318 4.022 4.340 -0.000 0.000 0.215 370 L C 2.571 179.463 176.870 0.038 0.000 1.074 370 L CA 1.947 56.927 54.840 0.234 0.000 0.760 370 L CB -0.357 41.853 42.059 0.251 0.000 0.889 370 L HN 0.230 nan 8.230 nan 0.000 0.433 371 F N -0.654 119.251 119.950 -0.076 0.000 2.163 371 F HA -0.250 4.276 4.527 -0.001 0.000 0.297 371 F C 2.425 178.049 175.800 -0.294 0.000 1.094 371 F CA 1.825 59.728 58.000 -0.161 0.000 1.290 371 F CB -0.225 38.720 39.000 -0.091 0.000 1.017 371 F HN 0.169 nan 8.300 nan 0.000 0.483 372 H N -1.839 116.946 119.070 -0.475 0.000 2.524 372 H HA -0.076 4.480 4.556 -0.000 0.000 0.282 372 H C 1.001 175.814 175.328 -0.857 0.000 1.016 372 H CA 1.761 57.329 56.048 -0.801 0.000 1.270 372 H CB -0.132 28.917 29.762 -1.188 0.000 1.394 372 H HN 0.360 nan 8.280 nan 0.000 0.568 373 Y N -1.160 118.830 120.300 -0.518 0.000 2.449 373 Y HA 0.122 4.672 4.550 0.000 0.000 0.254 373 Y C 1.383 176.880 175.900 -0.672 0.000 1.140 373 Y CA 0.847 58.701 58.100 -0.409 0.000 1.272 373 Y CB 0.771 39.193 38.460 -0.062 0.000 1.114 373 Y HN 0.279 nan 8.280 nan 0.000 0.525 374 T N -3.201 110.857 114.554 -0.827 0.000 3.339 374 T HA 0.089 4.439 4.350 -0.000 0.000 0.292 374 T C -0.280 173.424 174.700 -1.660 0.000 1.012 374 T CA -0.479 60.726 62.100 -1.492 0.000 0.937 374 T CB -0.352 67.976 68.868 -0.900 0.000 1.164 374 T HN 0.199 nan 8.240 nan 0.000 0.509 375 D N 1.611 121.251 120.400 -1.267 0.000 2.479 375 D HA 0.155 4.795 4.640 -0.000 0.000 0.218 375 D C -0.609 175.259 176.300 -0.719 0.000 1.131 375 D CA -0.687 52.739 54.000 -0.956 0.000 0.916 375 D CB -0.024 40.321 40.800 -0.759 0.000 1.022 375 D HN 0.492 nan 8.370 nan 0.000 0.515 376 W N 2.191 123.358 121.300 -0.221 0.000 2.316 376 W HA 0.294 4.954 4.660 -0.001 0.000 0.321 376 W C 1.836 178.277 176.519 -0.129 0.000 1.203 376 W CA -1.155 56.086 57.345 -0.173 0.000 1.214 376 W CB 0.377 29.736 29.460 -0.169 0.000 1.169 376 W HN 0.098 nan 8.180 nan 0.000 0.561 377 V N -1.062 118.920 119.914 0.113 0.000 2.332 377 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 377 V C 0.145 176.280 176.094 0.069 0.000 1.055 377 V CA 1.680 64.013 62.300 0.054 0.000 1.038 377 V CB -0.613 31.229 31.823 0.031 0.000 0.651 377 V HN 0.608 nan 8.190 nan 0.000 0.450 378 D N 0.717 121.172 120.400 0.091 0.000 2.364 378 D HA 0.212 4.852 4.640 -0.000 0.000 0.251 378 D C -0.486 175.812 176.300 -0.004 0.000 1.282 378 D CA -0.482 53.544 54.000 0.044 0.000 0.927 378 D CB 0.583 41.387 40.800 0.007 0.000 1.267 378 D HN 0.555 nan 8.370 nan 0.000 0.531 379 D N 2.166 122.596 120.400 0.050 0.000 2.886 379 D HA -0.114 4.526 4.640 -0.000 0.000 0.226 379 D C 0.698 176.884 176.300 -0.191 0.000 1.117 379 D CA 0.178 54.104 54.000 -0.123 0.000 1.121 379 D CB 0.555 41.464 40.800 0.182 0.000 1.186 379 D HN 0.268 nan 8.370 nan 0.000 0.440 380 Q N 0.563 120.239 119.800 -0.206 0.000 2.377 380 Q HA 0.107 4.447 4.340 -0.000 0.000 0.193 380 Q C 0.551 176.435 176.000 -0.194 0.000 0.986 380 Q CA 0.166 55.882 55.803 -0.146 0.000 0.851 380 Q CB -0.430 28.254 28.738 -0.090 0.000 0.986 380 Q HN 0.307 nan 8.270 nan 0.000 0.559 381 R N 2.942 123.318 120.500 -0.207 0.000 2.912 381 R HA -0.112 4.228 4.340 -0.000 0.000 0.308 381 R C -1.715 174.444 176.300 -0.234 0.000 0.787 381 R CA -0.283 55.701 56.100 -0.195 0.000 1.117 381 R CB -0.451 29.730 30.300 -0.199 0.000 0.893 381 R HN 0.160 nan 8.270 nan 0.000 0.401 382 P HA -0.237 nan 4.420 nan 0.000 0.222 382 P C 0.707 177.923 177.300 -0.139 0.000 1.142 382 P CA 1.206 64.229 63.100 -0.127 0.000 0.788 382 P CB 0.130 31.779 31.700 -0.085 0.000 0.767 383 E N -1.492 118.616 120.200 -0.154 0.000 2.478 383 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 383 E C 1.162 177.654 176.600 -0.181 0.000 1.045 383 E CA 0.184 56.512 56.400 -0.120 0.000 0.868 383 E CB -0.919 28.747 29.700 -0.056 0.000 0.885 383 E HN 0.138 nan 8.360 nan 0.000 0.505 384 N N 1.579 120.016 118.700 -0.439 0.000 2.150 384 N HA -0.257 4.483 4.740 -0.000 0.000 0.196 384 N C 1.578 176.775 175.510 -0.523 0.000 0.982 384 N CA 2.139 54.617 53.050 -0.954 0.000 0.896 384 N CB -0.865 36.528 38.487 -1.823 0.000 1.077 384 N HN 0.344 nan 8.380 nan 0.000 0.621 385 Y N 0.879 121.120 120.300 -0.099 0.000 2.200 385 Y HA 0.008 4.558 4.550 0.000 0.000 0.290 385 Y C 2.670 178.794 175.900 0.374 0.000 1.137 385 Y CA 1.001 59.269 58.100 0.279 0.000 1.163 385 Y CB -0.399 38.225 38.460 0.272 0.000 0.988 385 Y HN 0.093 nan 8.280 nan 0.000 0.518 386 R N 0.868 121.561 120.500 0.322 0.000 2.096 386 R HA -0.219 4.121 4.340 -0.000 0.000 0.240 386 R C 1.891 178.397 176.300 0.343 0.000 1.139 386 R CA 2.151 58.430 56.100 0.299 0.000 0.952 386 R CB -0.207 30.105 30.300 0.021 0.000 0.854 386 R HN 0.449 nan 8.270 nan 0.000 0.436 387 E N -0.339 120.007 120.200 0.244 0.000 2.077 387 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 387 E C 1.941 178.712 176.600 0.285 0.000 0.989 387 E CA 1.124 57.674 56.400 0.249 0.000 0.800 387 E CB -0.102 29.705 29.700 0.179 0.000 0.746 387 E HN 0.469 nan 8.360 nan 0.000 0.452 388 A N 1.253 124.295 122.820 0.371 0.000 1.930 388 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 388 A C 2.142 179.935 177.584 0.348 0.000 1.175 388 A CA 0.795 53.086 52.037 0.423 0.000 0.627 388 A CB -0.387 18.974 19.000 0.602 0.000 0.815 388 A HN 0.176 nan 8.150 nan 0.000 0.443 389 L N 0.090 121.550 121.223 0.395 0.000 2.141 389 L HA 0.015 4.354 4.340 -0.000 0.000 0.209 389 L C 2.367 179.183 176.870 -0.089 0.000 1.094 389 L CA 1.957 56.813 54.840 0.027 0.000 0.763 389 L CB -0.961 41.093 42.059 -0.009 0.000 0.908 389 L HN 0.310 nan 8.230 nan 0.000 0.437 390 G N -1.175 107.646 108.800 0.035 0.000 2.418 390 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 390 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 390 G C 1.297 176.204 174.900 0.012 0.000 1.158 390 G CA 0.820 45.930 45.100 0.018 0.000 0.771 390 G HN 0.407 nan 8.290 nan 0.000 0.545 391 D N 0.215 120.643 120.400 0.048 0.000 2.178 391 D HA -0.062 4.578 4.640 -0.000 0.000 0.202 391 D C 2.751 179.020 176.300 -0.053 0.000 0.974 391 D CA 0.484 54.528 54.000 0.074 0.000 0.841 391 D CB -0.150 40.765 40.800 0.191 0.000 0.953 391 D HN 0.185 nan 8.370 nan 0.000 0.478 392 V N 1.035 120.772 119.914 -0.295 0.000 2.255 392 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 392 V C 2.704 178.741 176.094 -0.095 0.000 1.051 392 V CA 1.218 63.392 62.300 -0.211 0.000 1.018 392 V CB -0.454 31.285 31.823 -0.140 0.000 0.641 392 V HN 0.053 nan 8.190 nan 0.000 0.445 393 V N 0.408 120.176 119.914 -0.244 0.000 2.427 393 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 393 V C 2.389 178.391 176.094 -0.153 0.000 1.051 393 V CA 1.996 64.073 62.300 -0.373 0.000 1.048 393 V CB -1.217 30.198 31.823 -0.681 0.000 0.666 393 V HN 0.620 nan 8.190 nan 0.000 0.456 394 G N -0.162 108.634 108.800 -0.007 0.000 2.605 394 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 394 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 394 G C 1.161 176.149 174.900 0.147 0.000 1.279 394 G CA 0.880 46.075 45.100 0.159 0.000 0.831 394 G HN 0.452 nan 8.290 nan 0.000 0.560 395 D N -0.199 120.300 120.400 0.165 0.000 2.191 395 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 395 D C 1.954 178.168 176.300 -0.143 0.000 1.007 395 D CA 1.579 55.683 54.000 0.173 0.000 0.865 395 D CB -0.537 40.552 40.800 0.481 0.000 0.929 395 D HN 0.346 nan 8.370 nan 0.000 0.447 396 Y N 1.311 121.220 120.300 -0.652 0.000 2.114 396 Y HA -0.186 4.364 4.550 -0.001 0.000 0.284 396 Y C 1.743 177.320 175.900 -0.538 0.000 1.143 396 Y CA 1.895 59.356 58.100 -1.066 0.000 1.135 396 Y CB -0.441 37.203 38.460 -1.360 0.000 0.980 396 Y HN -0.067 nan 8.280 nan 0.000 0.499 397 N N -1.957 116.367 118.700 -0.626 0.000 2.392 397 N HA 0.088 4.827 4.740 -0.000 0.000 0.177 397 N C 0.521 175.572 175.510 -0.764 0.000 1.066 397 N CA 0.780 53.346 53.050 -0.806 0.000 0.895 397 N CB 0.158 38.080 38.487 -0.941 0.000 0.988 397 N HN 0.331 nan 8.380 nan 0.000 0.457 398 F N -1.231 118.687 119.950 -0.053 0.000 2.334 398 F HA 0.383 4.909 4.527 -0.000 0.000 0.269 398 F C 1.488 177.316 175.800 0.047 0.000 0.879 398 F CA -0.356 57.679 58.000 0.057 0.000 1.102 398 F CB 0.228 39.283 39.000 0.091 0.000 1.032 398 F HN -0.134 nan 8.300 nan 0.000 0.782 399 I N -0.006 120.711 120.570 0.245 0.000 2.162 399 I HA -0.246 3.924 4.170 -0.000 0.000 0.238 399 I C 2.126 178.319 176.117 0.126 0.000 1.076 399 I CA 1.193 62.622 61.300 0.214 0.000 1.353 399 I CB -0.529 37.609 38.000 0.230 0.000 1.063 399 I HN 0.261 nan 8.210 nan 0.000 0.408 400 c N 1.045 119.700 118.600 0.092 0.000 2.413 400 c HA -0.084 4.486 4.570 -0.000 0.000 0.276 400 c C 0.306 174.407 174.090 0.019 0.000 1.248 400 c CA 0.846 57.225 56.329 0.083 0.000 1.742 400 c CB -2.158 40.456 42.510 0.172 0.000 2.017 400 c HN 0.372 nan 8.230 nan 0.000 0.481 401 P HA -0.100 nan 4.420 nan 0.000 0.215 401 P C 1.668 178.940 177.300 -0.047 0.000 1.153 401 P CA 2.533 65.570 63.100 -0.105 0.000 0.853 401 P CB -0.181 31.373 31.700 -0.244 0.000 0.788 402 A N -0.641 122.183 122.820 0.007 0.000 1.858 402 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 402 A C 2.220 179.845 177.584 0.067 0.000 1.190 402 A CA 1.526 53.602 52.037 0.065 0.000 0.617 402 A CB -1.702 17.400 19.000 0.171 0.000 0.827 402 A HN 0.094 nan 8.150 nan 0.000 0.443 403 L N -0.883 120.320 121.223 -0.034 0.000 2.042 403 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 403 L C 2.647 179.474 176.870 -0.072 0.000 1.076 403 L CA 1.771 56.463 54.840 -0.246 0.000 0.749 403 L CB -0.429 41.488 42.059 -0.236 0.000 0.893 403 L HN 0.442 nan 8.230 nan 0.000 0.432 404 E N 0.002 120.211 120.200 0.015 0.000 2.106 404 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 404 E C 1.937 178.579 176.600 0.069 0.000 0.984 404 E CA 1.162 57.595 56.400 0.056 0.000 0.806 404 E CB -0.252 29.482 29.700 0.057 0.000 0.750 404 E HN 0.351 nan 8.360 nan 0.000 0.458 405 F N 0.837 120.722 119.950 -0.108 0.000 2.069 405 F HA -0.220 4.307 4.527 0.000 0.000 0.298 405 F C 2.144 177.898 175.800 -0.078 0.000 1.113 405 F CA 2.246 60.153 58.000 -0.154 0.000 1.214 405 F CB -0.821 38.001 39.000 -0.298 0.000 0.978 405 F HN 0.007 nan 8.300 nan 0.000 0.474 406 T N 0.751 115.309 114.554 0.007 0.000 2.737 406 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 406 T C 1.855 176.595 174.700 0.067 0.000 1.040 406 T CA 1.864 63.896 62.100 -0.114 0.000 1.142 406 T CB -0.348 68.280 68.868 -0.399 0.000 0.861 406 T HN 0.284 nan 8.240 nan 0.000 0.456 407 K N 1.105 121.594 120.400 0.149 0.000 1.965 407 K HA -0.061 4.259 4.320 -0.000 0.000 0.214 407 K C 2.493 179.190 176.600 0.161 0.000 1.046 407 K CA 1.150 57.577 56.287 0.233 0.000 0.944 407 K CB -0.127 32.477 32.500 0.175 0.000 0.726 407 K HN 0.206 nan 8.250 nan 0.000 0.441 408 K N 0.277 120.738 120.400 0.100 0.000 2.152 408 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 408 K C 2.104 178.855 176.600 0.252 0.000 1.048 408 K CA 1.314 57.697 56.287 0.160 0.000 0.933 408 K CB -0.265 32.313 32.500 0.131 0.000 0.721 408 K HN 0.210 nan 8.250 nan 0.000 0.447 409 F N 1.999 121.857 119.950 -0.154 0.000 2.149 409 F HA -0.173 4.353 4.527 -0.000 0.000 0.294 409 F C 2.582 178.461 175.800 0.131 0.000 1.095 409 F CA 1.467 59.325 58.000 -0.237 0.000 1.276 409 F CB -0.143 38.356 39.000 -0.835 0.000 1.023 409 F HN 0.012 nan 8.300 nan 0.000 0.480 410 S N -0.346 115.599 115.700 0.408 0.000 2.453 410 S HA -0.145 4.324 4.470 -0.000 0.000 0.231 410 S C 1.690 176.396 174.600 0.177 0.000 1.005 410 S CA 0.947 59.345 58.200 0.330 0.000 0.949 410 S CB -0.766 62.655 63.200 0.367 0.000 0.774 410 S HN 0.591 nan 8.310 nan 0.000 0.510 411 E N 0.244 120.541 120.200 0.161 0.000 2.208 411 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 411 E C 0.168 176.656 176.600 -0.187 0.000 1.014 411 E CA 1.490 57.884 56.400 -0.010 0.000 0.819 411 E CB -0.229 29.464 29.700 -0.011 0.000 0.735 411 E HN 0.828 nan 8.360 nan 0.000 0.469 412 W N -0.076 121.224 121.300 -0.001 0.000 3.213 412 W HA 0.291 4.951 4.660 -0.000 0.000 0.430 412 W C 1.245 177.724 176.519 -0.068 0.000 0.975 412 W CA 0.499 57.817 57.345 -0.045 0.000 2.015 412 W CB 0.491 29.915 29.460 -0.060 0.000 1.047 412 W HN 0.163 nan 8.180 nan 0.000 0.797 413 G N 0.089 108.933 108.800 0.075 0.000 2.234 413 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.235 413 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.235 413 G C 0.362 175.304 174.900 0.071 0.000 0.997 413 G CA -0.146 44.985 45.100 0.051 0.000 0.623 413 G HN 0.329 nan 8.290 nan 0.000 0.514 414 N N 0.950 119.703 118.700 0.088 0.000 2.445 414 N HA 0.507 5.247 4.740 -0.000 0.000 0.264 414 N C -0.161 175.474 175.510 0.207 0.000 1.227 414 N CA -0.458 52.686 53.050 0.157 0.000 0.963 414 N CB 0.306 38.915 38.487 0.203 0.000 1.188 414 N HN 0.174 nan 8.380 nan 0.000 0.491 415 N N 0.244 119.069 118.700 0.208 0.000 2.488 415 N HA 0.473 5.213 4.740 -0.000 0.000 0.274 415 N C -1.184 174.412 175.510 0.144 0.000 1.111 415 N CA -0.208 52.896 53.050 0.089 0.000 0.974 415 N CB 1.025 39.567 38.487 0.092 0.000 1.089 415 N HN 0.572 nan 8.380 nan 0.000 0.465 416 A N 2.457 125.251 122.820 -0.043 0.000 2.374 416 A HA 0.716 5.036 4.320 -0.000 0.000 0.305 416 A C -1.260 176.217 177.584 -0.180 0.000 1.053 416 A CA -0.596 51.466 52.037 0.042 0.000 0.726 416 A CB 0.504 19.611 19.000 0.178 0.000 1.229 416 A HN 0.481 nan 8.150 nan 0.000 0.431 417 F N 0.867 120.808 119.950 -0.015 0.000 2.492 417 F HA 0.715 5.242 4.527 -0.000 0.000 0.327 417 F C -0.392 175.536 175.800 0.214 0.000 1.079 417 F CA -0.817 57.138 58.000 -0.074 0.000 0.967 417 F CB 1.833 40.262 39.000 -0.951 0.000 1.169 417 F HN 0.545 nan 8.300 nan 0.000 0.472 418 F N 3.169 123.529 119.950 0.683 0.000 2.540 418 F HA 0.586 5.113 4.527 -0.000 0.000 0.317 418 F C -1.190 175.106 175.800 0.826 0.000 1.104 418 F CA -1.137 57.157 58.000 0.490 0.000 0.913 418 F CB 1.284 40.327 39.000 0.071 0.000 1.170 418 F HN 0.458 nan 8.300 nan 0.000 0.450 419 Y N 3.638 123.943 120.300 0.009 0.000 2.524 419 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 419 Y C -2.126 173.785 175.900 0.017 0.000 1.012 419 Y CA -1.735 56.416 58.100 0.085 0.000 1.068 419 Y CB 1.173 39.709 38.460 0.127 0.000 1.249 419 Y HN 0.578 nan 8.280 nan 0.000 0.468 420 Y N 4.705 125.172 120.300 0.278 0.000 2.426 420 Y HA 0.398 4.948 4.550 -0.000 0.000 0.325 420 Y C -1.788 174.308 175.900 0.327 0.000 0.989 420 Y CA -2.481 55.759 58.100 0.233 0.000 1.284 420 Y CB 0.556 39.183 38.460 0.277 0.000 1.104 420 Y HN 0.768 nan 8.280 nan 0.000 0.481 421 F N 6.551 126.526 119.950 0.041 0.000 2.410 421 F HA 0.352 4.879 4.527 -0.000 0.000 0.348 421 F C 0.535 176.161 175.800 -0.290 0.000 1.106 421 F CA 0.164 58.122 58.000 -0.070 0.000 1.163 421 F CB 0.833 39.840 39.000 0.013 0.000 1.129 421 F HN 0.676 nan 8.300 nan 0.000 0.516 422 E N 2.955 122.695 120.200 -0.766 0.000 2.858 422 E HA 0.065 4.414 4.350 -0.000 0.000 0.195 422 E C -0.944 175.349 176.600 -0.511 0.000 0.952 422 E CA -0.505 55.567 56.400 -0.546 0.000 1.294 422 E CB -0.385 29.087 29.700 -0.381 0.000 1.048 422 E HN 0.705 nan 8.360 nan 0.000 0.485 423 H N 1.809 120.304 119.070 -0.959 0.000 2.487 423 H HA 0.376 4.932 4.556 -0.000 0.000 0.333 423 H C -0.579 174.504 175.328 -0.408 0.000 1.114 423 H CA -0.436 55.234 56.048 -0.630 0.000 1.310 423 H CB 1.160 30.499 29.762 -0.704 0.000 1.462 423 H HN 0.072 nan 8.280 nan 0.000 0.516 424 R N 4.045 123.965 120.500 -0.966 0.000 2.294 424 R HA 0.277 4.617 4.340 -0.000 0.000 0.319 424 R C -0.539 175.418 176.300 -0.571 0.000 0.984 424 R CA -0.637 55.132 56.100 -0.552 0.000 0.861 424 R CB 0.924 31.037 30.300 -0.312 0.000 1.104 424 R HN 0.704 nan 8.270 nan 0.000 0.451 425 S N 1.716 117.379 115.700 -0.062 0.000 2.563 425 S HA -0.064 4.406 4.470 -0.000 0.000 0.294 425 S C 1.403 176.061 174.600 0.098 0.000 1.279 425 S CA 0.241 58.585 58.200 0.239 0.000 1.069 425 S CB 0.616 64.022 63.200 0.343 0.000 0.828 425 S HN 0.778 nan 8.310 nan 0.000 0.497 426 S N 4.692 120.506 115.700 0.189 0.000 2.419 426 S HA -0.074 4.396 4.470 -0.000 0.000 0.233 426 S C 1.361 175.964 174.600 0.005 0.000 1.016 426 S CA 0.803 59.053 58.200 0.085 0.000 0.974 426 S CB -0.248 63.022 63.200 0.117 0.000 0.786 426 S HN 0.804 nan 8.310 nan 0.000 0.492 427 K N 0.631 121.025 120.400 -0.011 0.000 2.418 427 K HA 0.253 4.573 4.320 -0.000 0.000 0.195 427 K C 0.372 176.931 176.600 -0.068 0.000 1.035 427 K CA -0.218 56.006 56.287 -0.105 0.000 1.003 427 K CB -0.167 32.180 32.500 -0.256 0.000 0.793 427 K HN 0.306 nan 8.250 nan 0.000 0.494 428 L N 3.295 124.491 121.223 -0.045 0.000 2.667 428 L HA -0.034 4.306 4.340 -0.000 0.000 0.278 428 L C -1.627 175.188 176.870 -0.092 0.000 1.217 428 L CA -0.067 54.708 54.840 -0.109 0.000 0.935 428 L CB 0.556 42.519 42.059 -0.160 0.000 1.193 428 L HN 0.036 nan 8.230 nan 0.000 0.493 429 P HA -0.031 nan 4.420 nan 0.000 0.231 429 P C -0.452 176.791 177.300 -0.095 0.000 1.168 429 P CA 0.591 63.569 63.100 -0.203 0.000 0.779 429 P CB 0.163 31.557 31.700 -0.511 0.000 0.844 430 W N 2.070 123.364 121.300 -0.011 0.000 2.253 430 W HA 0.391 5.050 4.660 -0.001 0.000 0.348 430 W C -1.863 174.562 176.519 -0.157 0.000 1.229 430 W CA -2.083 55.248 57.345 -0.023 0.000 1.335 430 W CB -0.720 28.645 29.460 -0.158 0.000 1.165 430 W HN -0.200 nan 8.180 nan 0.000 0.631 431 P HA 0.104 nan 4.420 nan 0.000 0.281 431 P C 0.256 177.452 177.300 -0.174 0.000 1.249 431 P CA -0.079 62.980 63.100 -0.068 0.000 0.810 431 P CB 1.287 32.981 31.700 -0.011 0.000 1.008 432 E N 1.397 121.566 120.200 -0.051 0.000 2.136 432 E HA -0.236 4.114 4.350 -0.000 0.000 0.208 432 E C 1.780 178.382 176.600 0.003 0.000 1.035 432 E CA 1.970 58.358 56.400 -0.021 0.000 0.838 432 E CB -0.441 29.285 29.700 0.043 0.000 0.748 432 E HN 0.698 nan 8.360 nan 0.000 0.459 433 W N 0.362 121.698 121.300 0.060 0.000 2.313 433 W HA -0.212 4.448 4.660 -0.001 0.000 0.293 433 W C 1.556 178.121 176.519 0.076 0.000 1.216 433 W CA 0.776 58.165 57.345 0.073 0.000 1.223 433 W CB -0.764 28.754 29.460 0.096 0.000 1.138 433 W HN 0.054 nan 8.180 nan 0.000 0.535 434 M N 1.346 120.584 119.600 -0.603 0.000 2.476 434 M HA 0.086 4.566 4.480 -0.000 0.000 0.262 434 M C 1.794 177.949 176.300 -0.242 0.000 1.079 434 M CA 1.572 56.475 55.300 -0.663 0.000 1.104 434 M CB -0.904 31.129 32.600 -0.946 0.000 1.409 434 M HN 0.204 nan 8.290 nan 0.000 0.467 435 G N 0.651 109.366 108.800 -0.141 0.000 2.582 435 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.288 435 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.288 435 G C -0.107 174.731 174.900 -0.103 0.000 1.247 435 G CA -0.121 44.933 45.100 -0.077 0.000 0.972 435 G HN 0.254 nan 8.290 nan 0.000 0.557 436 V N 2.141 122.020 119.914 -0.059 0.000 2.222 436 V HA 0.378 4.497 4.120 -0.000 0.000 0.253 436 V C 1.203 177.311 176.094 0.023 0.000 1.210 436 V CA 0.266 62.555 62.300 -0.018 0.000 1.079 436 V CB -0.103 31.703 31.823 -0.028 0.000 1.265 436 V HN 0.512 nan 8.190 nan 0.000 0.494 437 M N 1.610 121.213 119.600 0.004 0.000 2.207 437 M HA 0.246 4.725 4.480 -0.000 0.000 0.311 437 M C 0.687 177.020 176.300 0.054 0.000 1.127 437 M CA -0.372 54.928 55.300 -0.001 0.000 1.181 437 M CB 0.031 32.595 32.600 -0.060 0.000 1.409 437 M HN 0.583 nan 8.290 nan 0.000 0.461 438 H N 0.452 119.413 119.070 -0.182 0.000 3.115 438 H HA 0.107 4.663 4.556 0.000 0.000 0.324 438 H C 1.157 176.292 175.328 -0.321 0.000 1.007 438 H CA 1.973 57.829 56.048 -0.321 0.000 1.385 438 H CB 0.201 29.660 29.762 -0.504 0.000 1.351 438 H HN 0.787 nan 8.280 nan 0.000 0.592 439 G N 3.466 111.752 108.800 -0.856 0.000 2.168 439 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 439 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 439 G C 0.419 175.099 174.900 -0.367 0.000 0.977 439 G CA 0.713 45.389 45.100 -0.708 0.000 0.659 439 G HN 0.708 nan 8.290 nan 0.000 0.533 440 Y N 0.613 120.871 120.300 -0.068 0.000 2.683 440 Y HA 0.290 4.840 4.550 -0.000 0.000 0.297 440 Y C 2.028 177.902 175.900 -0.044 0.000 1.147 440 Y CA 0.504 58.651 58.100 0.079 0.000 1.274 440 Y CB 0.544 39.087 38.460 0.139 0.000 1.143 440 Y HN 0.450 nan 8.280 nan 0.000 0.527 441 E N -0.275 119.769 120.200 -0.260 0.000 2.447 441 E HA -0.009 4.341 4.350 -0.000 0.000 0.204 441 E C 1.503 177.975 176.600 -0.214 0.000 0.977 441 E CA 0.459 56.439 56.400 -0.700 0.000 0.950 441 E CB -0.466 28.333 29.700 -1.502 0.000 0.975 441 E HN 0.559 nan 8.360 nan 0.000 0.496 442 I N 2.200 122.742 120.570 -0.047 0.000 2.194 442 I HA -0.330 3.840 4.170 -0.000 0.000 0.246 442 I C 2.267 178.423 176.117 0.066 0.000 1.093 442 I CA 2.039 63.390 61.300 0.085 0.000 1.355 442 I CB -0.549 37.581 38.000 0.218 0.000 1.046 442 I HN 0.112 nan 8.210 nan 0.000 0.413 443 E N 0.850 121.062 120.200 0.021 0.000 2.097 443 E HA -0.241 4.108 4.350 -0.000 0.000 0.196 443 E C 2.138 178.598 176.600 -0.234 0.000 1.000 443 E CA 1.583 57.910 56.400 -0.123 0.000 0.804 443 E CB -0.407 29.231 29.700 -0.103 0.000 0.740 443 E HN 0.457 nan 8.360 nan 0.000 0.454 444 F N 0.929 120.749 119.950 -0.217 0.000 2.149 444 F HA -0.114 4.413 4.527 -0.000 0.000 0.294 444 F C 2.483 178.070 175.800 -0.356 0.000 1.095 444 F CA 0.635 58.472 58.000 -0.272 0.000 1.276 444 F CB -0.657 38.237 39.000 -0.175 0.000 1.023 444 F HN -0.179 nan 8.300 nan 0.000 0.480 445 V N -0.488 119.271 119.914 -0.258 0.000 2.252 445 V HA -0.331 3.788 4.120 -0.000 0.000 0.249 445 V C 1.985 177.834 176.094 -0.409 0.000 1.056 445 V CA 1.818 63.805 62.300 -0.522 0.000 1.022 445 V CB -0.912 30.582 31.823 -0.549 0.000 0.641 445 V HN 0.204 nan 8.190 nan 0.000 0.445 446 F N 0.916 120.704 119.950 -0.270 0.000 2.771 446 F HA 0.315 4.842 4.527 0.000 0.000 0.299 446 F C 1.796 177.464 175.800 -0.220 0.000 1.177 446 F CA 0.869 58.734 58.000 -0.225 0.000 1.450 446 F CB -0.645 38.192 39.000 -0.272 0.000 1.114 446 F HN 0.326 nan 8.300 nan 0.000 0.587 447 G N 0.247 108.931 108.800 -0.194 0.000 2.225 447 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 447 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 447 G C 0.790 175.344 174.900 -0.577 0.000 1.060 447 G CA 0.214 45.142 45.100 -0.287 0.000 0.833 447 G HN 0.317 nan 8.290 nan 0.000 0.498 448 L N 0.615 121.456 121.223 -0.636 0.000 2.044 448 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 448 L C 0.318 176.756 176.870 -0.720 0.000 1.075 448 L CA 2.385 56.773 54.840 -0.754 0.000 0.747 448 L CB -0.832 40.920 42.059 -0.512 0.000 0.903 448 L HN 0.234 nan 8.230 nan 0.000 0.435 449 P HA -0.107 nan 4.420 nan 0.000 0.236 449 P C 1.711 178.757 177.300 -0.423 0.000 1.172 449 P CA 1.053 63.547 63.100 -1.009 0.000 0.759 449 P CB -0.059 30.808 31.700 -1.388 0.000 0.843 450 L N -0.489 120.509 121.223 -0.375 0.000 2.109 450 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 450 L C 1.431 178.292 176.870 -0.015 0.000 1.086 450 L CA 0.737 55.451 54.840 -0.210 0.000 0.760 450 L CB -0.990 40.981 42.059 -0.146 0.000 0.910 450 L HN -0.024 nan 8.230 nan 0.000 0.437 451 E N 1.448 121.693 120.200 0.076 0.000 2.037 451 E HA -0.097 4.253 4.350 -0.000 0.000 0.253 451 E C 1.326 178.023 176.600 0.162 0.000 1.265 451 E CA -0.028 56.541 56.400 0.281 0.000 0.972 451 E CB 0.232 30.029 29.700 0.161 0.000 1.054 451 E HN 0.236 nan 8.360 nan 0.000 0.432 452 R N 3.619 124.208 120.500 0.149 0.000 2.159 452 R HA -0.222 4.118 4.340 -0.000 0.000 0.252 452 R C 0.539 176.885 176.300 0.077 0.000 1.144 452 R CA 1.447 57.594 56.100 0.079 0.000 0.961 452 R CB -0.430 29.906 30.300 0.061 0.000 0.877 452 R HN 0.230 nan 8.270 nan 0.000 0.444 453 R N 2.156 122.709 120.500 0.089 0.000 3.247 453 R HA 0.116 4.455 4.340 -0.000 0.000 0.212 453 R C -0.958 175.360 176.300 0.030 0.000 1.604 453 R CA 0.182 56.313 56.100 0.051 0.000 1.279 453 R CB -0.037 30.292 30.300 0.049 0.000 1.277 453 R HN 0.346 nan 8.270 nan 0.000 0.669 457 T N -0.663 114.001 114.554 0.182 0.000 2.855 457 T HA 0.113 4.463 4.350 -0.000 0.000 0.322 457 T C 0.898 175.639 174.700 0.069 0.000 1.088 457 T CA -0.098 62.064 62.100 0.103 0.000 1.104 457 T CB 0.981 69.911 68.868 0.104 0.000 0.996 457 T HN 0.785 nan 8.240 nan 0.000 0.549 458 K N 1.624 122.041 120.400 0.029 0.000 2.097 458 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 458 K C 2.688 179.277 176.600 -0.019 0.000 1.050 458 K CA 1.166 57.452 56.287 -0.001 0.000 0.938 458 K CB -0.613 31.883 32.500 -0.007 0.000 0.718 458 K HN 0.771 nan 8.250 nan 0.000 0.442 459 A N 1.820 124.631 122.820 -0.015 0.000 1.917 459 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 459 A C 1.877 179.417 177.584 -0.073 0.000 1.182 459 A CA 1.785 53.793 52.037 -0.049 0.000 0.633 459 A CB -0.451 18.518 19.000 -0.052 0.000 0.819 459 A HN 0.338 nan 8.150 nan 0.000 0.448 460 E N -0.950 119.234 120.200 -0.028 0.000 2.150 460 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 460 E C 2.025 178.580 176.600 -0.075 0.000 0.985 460 E CA 1.033 57.446 56.400 0.022 0.000 0.814 460 E CB -0.089 29.687 29.700 0.126 0.000 0.752 460 E HN 0.838 nan 8.360 nan 0.000 0.466 461 E N 0.625 120.764 120.200 -0.102 0.000 2.106 461 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 461 E C 1.852 178.388 176.600 -0.106 0.000 0.984 461 E CA 0.741 57.057 56.400 -0.139 0.000 0.806 461 E CB 0.170 29.805 29.700 -0.109 0.000 0.750 461 E HN 0.109 nan 8.360 nan 0.000 0.458 462 I N 1.143 121.668 120.570 -0.076 0.000 2.113 462 I HA -0.246 3.924 4.170 -0.000 0.000 0.238 462 I C 2.526 178.609 176.117 -0.057 0.000 1.070 462 I CA 0.809 62.069 61.300 -0.065 0.000 1.332 462 I CB -1.495 36.469 38.000 -0.059 0.000 1.044 462 I HN 0.288 nan 8.210 nan 0.000 0.402 463 L N 0.585 121.777 121.223 -0.052 0.000 2.013 463 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 463 L C 2.803 179.708 176.870 0.057 0.000 1.073 463 L CA 2.088 56.912 54.840 -0.027 0.000 0.753 463 L CB -1.008 40.995 42.059 -0.094 0.000 0.890 463 L HN 0.243 nan 8.230 nan 0.000 0.432 464 S N -1.135 114.618 115.700 0.088 0.000 2.356 464 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 464 S C 2.223 176.771 174.600 -0.086 0.000 1.032 464 S CA 1.243 59.438 58.200 -0.009 0.000 1.005 464 S CB -0.337 62.717 63.200 -0.243 0.000 0.867 464 S HN 0.463 nan 8.310 nan 0.000 0.449 465 R N 1.312 121.758 120.500 -0.090 0.000 2.117 465 R HA 0.004 4.343 4.340 -0.000 0.000 0.243 465 R C 2.475 178.752 176.300 -0.039 0.000 1.143 465 R CA 2.060 58.115 56.100 -0.075 0.000 0.968 465 R CB -1.152 29.103 30.300 -0.076 0.000 0.863 465 R HN 0.389 nan 8.270 nan 0.000 0.444 466 S N -0.334 115.349 115.700 -0.029 0.000 2.335 466 S HA -0.007 4.463 4.470 -0.000 0.000 0.216 466 S C 1.883 176.496 174.600 0.022 0.000 1.032 466 S CA 1.340 59.543 58.200 0.005 0.000 1.000 466 S CB -0.242 62.955 63.200 -0.004 0.000 0.928 466 S HN 0.287 nan 8.310 nan 0.000 0.434 467 I N 1.191 121.729 120.570 -0.053 0.000 2.151 467 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 467 I C 2.229 178.257 176.117 -0.148 0.000 1.080 467 I CA 0.996 62.190 61.300 -0.177 0.000 1.339 467 I CB -0.580 37.168 38.000 -0.421 0.000 1.039 467 I HN 0.144 nan 8.210 nan 0.000 0.409 468 V N 1.229 121.050 119.914 -0.156 0.000 2.252 468 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 468 V C 2.574 178.689 176.094 0.035 0.000 1.056 468 V CA 2.478 64.716 62.300 -0.102 0.000 1.022 468 V CB -0.705 31.061 31.823 -0.094 0.000 0.641 468 V HN 0.432 nan 8.190 nan 0.000 0.445 469 K N 0.560 120.992 120.400 0.053 0.000 2.002 469 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 469 K C 2.207 178.907 176.600 0.166 0.000 1.048 469 K CA 1.686 58.029 56.287 0.094 0.000 0.930 469 K CB -0.488 32.059 32.500 0.077 0.000 0.714 469 K HN 0.314 nan 8.250 nan 0.000 0.438 470 R N -0.718 119.920 120.500 0.230 0.000 2.103 470 R HA -0.169 4.171 4.340 -0.000 0.000 0.242 470 R C 2.383 178.901 176.300 0.364 0.000 1.142 470 R CA 1.983 58.283 56.100 0.332 0.000 0.960 470 R CB -0.522 30.074 30.300 0.494 0.000 0.858 470 R HN 0.459 nan 8.270 nan 0.000 0.439 471 W N 0.026 121.322 121.300 -0.006 0.000 2.381 471 W HA -0.135 4.524 4.660 -0.000 0.000 0.301 471 W C 2.383 178.869 176.519 -0.055 0.000 1.205 471 W CA 0.697 58.005 57.345 -0.061 0.000 1.285 471 W CB -0.122 29.245 29.460 -0.154 0.000 1.133 471 W HN 0.242 nan 8.180 nan 0.000 0.521 472 A N 0.378 123.285 122.820 0.146 0.000 1.930 472 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 472 A C 1.661 179.217 177.584 -0.046 0.000 1.175 472 A CA 1.738 53.781 52.037 0.011 0.000 0.627 472 A CB -0.939 18.065 19.000 0.007 0.000 0.815 472 A HN 0.215 nan 8.150 nan 0.000 0.443 473 N N -1.010 117.722 118.700 0.053 0.000 2.188 473 N HA -0.106 4.633 4.740 -0.000 0.000 0.184 473 N C 1.315 176.842 175.510 0.027 0.000 1.018 473 N CA 1.253 54.364 53.050 0.102 0.000 0.858 473 N CB -0.544 38.067 38.487 0.206 0.000 0.989 473 N HN 0.537 nan 8.380 nan 0.000 0.426 474 F N 1.276 121.137 119.950 -0.148 0.000 2.134 474 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 474 F C 2.089 177.762 175.800 -0.211 0.000 1.097 474 F CA 1.329 59.182 58.000 -0.244 0.000 1.264 474 F CB -0.311 38.448 39.000 -0.401 0.000 1.001 474 F HN 0.035 nan 8.300 nan 0.000 0.479 475 A N 0.389 123.147 122.820 -0.105 0.000 1.858 475 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 475 A C 2.223 179.622 177.584 -0.309 0.000 1.190 475 A CA 1.942 53.868 52.037 -0.185 0.000 0.617 475 A CB -0.716 18.208 19.000 -0.127 0.000 0.827 475 A HN 0.434 nan 8.150 nan 0.000 0.443 476 K N -1.762 118.379 120.400 -0.432 0.000 2.026 476 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 476 K C 1.201 177.414 176.600 -0.645 0.000 1.048 476 K CA 2.004 57.856 56.287 -0.724 0.000 0.929 476 K CB -0.264 31.369 32.500 -1.444 0.000 0.713 476 K HN 0.731 nan 8.250 nan 0.000 0.439 477 Y N -1.680 118.535 120.300 -0.142 0.000 2.527 477 Y HA 0.269 4.819 4.550 -0.000 0.000 0.247 477 Y C 0.884 176.665 175.900 -0.198 0.000 1.138 477 Y CA -0.236 57.785 58.100 -0.131 0.000 1.228 477 Y CB 1.560 39.974 38.460 -0.077 0.000 1.252 477 Y HN 0.164 nan 8.280 nan 0.000 0.531 478 G N 1.771 110.401 108.800 -0.283 0.000 2.198 478 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 478 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 478 G C -0.570 174.167 174.900 -0.272 0.000 1.042 478 G CA 0.258 45.069 45.100 -0.483 0.000 0.791 478 G HN 0.357 nan 8.290 nan 0.000 0.502 479 N N -0.407 118.176 118.700 -0.195 0.000 2.655 479 N HA 0.429 5.169 4.740 -0.000 0.000 0.277 479 N C -2.633 172.774 175.510 -0.172 0.000 1.177 479 N CA -1.516 51.421 53.050 -0.189 0.000 0.882 479 N CB 2.381 40.857 38.487 -0.019 0.000 1.481 479 N HN -0.056 nan 8.380 nan 0.000 0.547 480 P HA 0.111 nan 4.420 nan 0.000 0.226 480 P C -0.690 176.654 177.300 0.072 0.000 1.758 480 P CA -0.110 62.869 63.100 -0.202 0.000 0.896 480 P CB 0.109 31.412 31.700 -0.663 0.000 1.784 481 Q N 0.710 120.557 119.800 0.078 0.000 2.227 481 Q HA 0.295 4.635 4.340 -0.000 0.000 0.245 481 Q C 0.175 176.270 176.000 0.158 0.000 0.926 481 Q CA -0.045 55.853 55.803 0.158 0.000 0.895 481 Q CB 1.599 30.409 28.738 0.120 0.000 1.230 481 Q HN 0.203 nan 8.270 nan 0.000 0.450 482 E N 1.611 121.904 120.200 0.154 0.000 2.331 482 E HA 0.132 4.482 4.350 -0.000 0.000 0.243 482 E C 0.148 176.801 176.600 0.090 0.000 0.925 482 E CA -0.150 56.322 56.400 0.120 0.000 0.760 482 E CB 0.876 30.646 29.700 0.117 0.000 1.254 482 E HN 0.724 nan 8.360 nan 0.000 0.419 483 T N 0.972 115.570 114.554 0.073 0.000 2.978 483 T HA -0.030 4.320 4.350 -0.000 0.000 0.262 483 T C 1.316 176.041 174.700 0.041 0.000 1.063 483 T CA 0.750 62.883 62.100 0.054 0.000 1.140 483 T CB 0.289 69.179 68.868 0.037 0.000 0.886 483 T HN 0.302 nan 8.240 nan 0.000 0.470 484 Q N 1.202 121.024 119.800 0.038 0.000 1.868 484 Q HA 0.161 4.501 4.340 -0.000 0.000 0.233 484 Q C 0.218 176.231 176.000 0.023 0.000 0.967 484 Q CA 0.171 55.990 55.803 0.027 0.000 0.863 484 Q CB -0.280 28.473 28.738 0.024 0.000 0.907 484 Q HN 0.360 nan 8.270 nan 0.000 0.442 485 N N 2.941 121.652 118.700 0.020 0.000 2.292 485 N HA -0.087 4.653 4.740 -0.000 0.000 0.284 485 N C -0.896 174.626 175.510 0.020 0.000 1.387 485 N CA 0.541 53.599 53.050 0.014 0.000 0.961 485 N CB -0.039 38.453 38.487 0.008 0.000 1.356 485 N HN 0.169 nan 8.380 nan 0.000 0.491 486 Q N 0.713 120.524 119.800 0.018 0.000 3.186 486 Q HA -0.128 4.211 4.340 -0.000 0.000 0.346 486 Q C 0.530 176.545 176.000 0.025 0.000 1.137 486 Q CA 0.507 56.324 55.803 0.022 0.000 1.199 486 Q CB -0.475 28.273 28.738 0.017 0.000 0.986 486 Q HN 0.692 nan 8.270 nan 0.000 0.426 487 S N 1.615 117.338 115.700 0.038 0.000 2.677 487 S HA 0.593 5.063 4.470 -0.000 0.000 0.290 487 S C 0.145 174.774 174.600 0.048 0.000 1.124 487 S CA -0.648 57.578 58.200 0.042 0.000 1.017 487 S CB 1.585 64.821 63.200 0.061 0.000 1.215 487 S HN 0.496 nan 8.310 nan 0.000 0.524 488 T N 0.252 114.838 114.554 0.053 0.000 2.794 488 T HA 0.603 4.952 4.350 -0.000 0.000 0.280 488 T C 0.207 174.974 174.700 0.111 0.000 0.987 488 T CA -0.562 61.578 62.100 0.066 0.000 0.993 488 T CB 0.937 69.831 68.868 0.043 0.000 0.939 488 T HN 0.930 nan 8.240 nan 0.000 0.449 489 S N 3.116 118.899 115.700 0.139 0.000 2.572 489 S HA 0.191 4.661 4.470 -0.000 0.000 0.279 489 S C -0.347 174.442 174.600 0.314 0.000 1.341 489 S CA -0.894 57.433 58.200 0.211 0.000 1.043 489 S CB 0.180 63.491 63.200 0.185 0.000 0.887 489 S HN 0.792 nan 8.310 nan 0.000 0.516 490 W N 4.708 126.121 121.300 0.189 0.000 2.357 490 W HA 0.463 5.122 4.660 -0.000 0.000 0.317 490 W C -2.847 173.911 176.519 0.398 0.000 1.101 490 W CA -2.850 54.661 57.345 0.277 0.000 1.380 490 W CB -0.046 29.572 29.460 0.263 0.000 1.266 490 W HN 0.539 nan 8.180 nan 0.000 0.419 491 P HA 0.062 nan 4.420 nan 0.000 0.274 491 P C -0.549 176.992 177.300 0.401 0.000 1.231 491 P CA -0.225 63.146 63.100 0.452 0.000 0.790 491 P CB 0.843 32.731 31.700 0.315 0.000 0.951 492 V N 2.868 122.824 119.914 0.070 0.000 2.614 492 V HA 0.073 4.192 4.120 -0.000 0.000 0.291 492 V C 0.364 176.458 176.094 -0.000 0.000 1.049 492 V CA -0.150 61.963 62.300 -0.311 0.000 1.038 492 V CB -0.253 31.351 31.823 -0.365 0.000 0.980 492 V HN 0.414 nan 8.190 nan 0.000 0.481 493 F N 6.069 125.959 119.950 -0.100 0.000 2.468 493 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 493 F C 0.582 176.386 175.800 0.008 0.000 1.167 493 F CA -0.066 57.964 58.000 0.050 0.000 1.135 493 F CB -0.138 38.940 39.000 0.130 0.000 1.197 493 F HN 0.459 nan 8.300 nan 0.000 0.569 494 K N 3.123 123.368 120.400 -0.259 0.000 2.139 494 K HA 0.286 4.606 4.320 -0.000 0.000 0.243 494 K C 0.928 177.300 176.600 -0.379 0.000 0.983 494 K CA -0.858 55.305 56.287 -0.207 0.000 0.890 494 K CB 1.693 34.123 32.500 -0.116 0.000 1.090 494 K HN 0.429 nan 8.250 nan 0.000 0.445 495 S N 0.210 115.793 115.700 -0.195 0.000 2.428 495 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 495 S C 1.571 176.071 174.600 -0.166 0.000 1.014 495 S CA 1.811 59.913 58.200 -0.163 0.000 0.957 495 S CB -0.155 63.011 63.200 -0.057 0.000 0.784 495 S HN 0.805 nan 8.310 nan 0.000 0.499 496 T N 1.214 115.680 114.554 -0.146 0.000 2.623 496 T HA -0.019 4.331 4.350 -0.000 0.000 0.254 496 T C 1.557 176.180 174.700 -0.128 0.000 1.075 496 T CA 1.200 63.235 62.100 -0.108 0.000 1.177 496 T CB -0.729 68.092 68.868 -0.078 0.000 0.869 496 T HN 0.466 nan 8.240 nan 0.000 0.403 497 E N 1.353 121.468 120.200 -0.142 0.000 2.046 497 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 497 E C 0.403 176.906 176.600 -0.163 0.000 0.982 497 E CA 0.363 56.694 56.400 -0.115 0.000 0.800 497 E CB -0.351 29.300 29.700 -0.082 0.000 0.756 497 E HN 0.570 nan 8.360 nan 0.000 0.449 498 Q N 0.536 120.121 119.800 -0.359 0.000 2.447 498 Q HA -0.158 4.182 4.340 -0.000 0.000 0.316 498 Q C -1.162 174.770 176.000 -0.113 0.000 1.448 498 Q CA 0.306 55.733 55.803 -0.627 0.000 0.804 498 Q CB -1.174 27.333 28.738 -0.385 0.000 1.107 498 Q HN 0.201 nan 8.270 nan 0.000 0.373 499 K N 1.354 121.757 120.400 0.005 0.000 2.174 499 K HA 0.549 4.869 4.320 -0.000 0.000 0.275 499 K C -0.436 176.530 176.600 0.611 0.000 1.015 499 K CA -0.440 55.988 56.287 0.234 0.000 0.933 499 K CB 0.775 33.369 32.500 0.157 0.000 1.025 499 K HN 0.295 nan 8.250 nan 0.000 0.463 500 Y N -0.383 120.175 120.300 0.430 0.000 2.513 500 Y HA 0.464 5.015 4.550 0.000 0.000 0.340 500 Y C -1.327 174.739 175.900 0.277 0.000 1.055 500 Y CA -1.607 56.813 58.100 0.533 0.000 1.020 500 Y CB 0.695 39.560 38.460 0.675 0.000 1.301 500 Y HN 0.385 nan 8.280 nan 0.000 0.453 501 L N 3.988 125.282 121.223 0.118 0.000 2.349 501 L HA 0.592 4.932 4.340 -0.000 0.000 0.275 501 L C 0.190 177.084 176.870 0.040 0.000 1.115 501 L CA 0.189 54.908 54.840 -0.200 0.000 0.820 501 L CB 1.206 42.749 42.059 -0.860 0.000 1.135 501 L HN 0.932 nan 8.230 nan 0.000 0.445 502 T N 3.784 118.371 114.554 0.055 0.000 2.845 502 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 502 T C -0.181 174.522 174.700 0.004 0.000 0.980 502 T CA -0.715 61.486 62.100 0.167 0.000 1.071 502 T CB 0.539 69.525 68.868 0.196 0.000 0.941 502 T HN 0.522 nan 8.240 nan 0.000 0.487 503 L N 4.170 125.382 121.223 -0.018 0.000 2.287 503 L HA 0.631 4.971 4.340 -0.000 0.000 0.287 503 L C -0.195 176.482 176.870 -0.321 0.000 1.022 503 L CA -0.814 53.939 54.840 -0.145 0.000 0.814 503 L CB 0.717 42.736 42.059 -0.067 0.000 1.217 503 L HN 0.975 nan 8.230 nan 0.000 0.420 504 N N -0.858 117.676 118.700 -0.276 0.000 3.261 504 N HA 0.171 4.911 4.740 -0.000 0.000 0.248 504 N C 0.185 175.545 175.510 -0.249 0.000 1.498 504 N CA -0.405 52.462 53.050 -0.305 0.000 0.884 504 N CB 0.720 39.088 38.487 -0.199 0.000 1.428 504 N HN 0.301 nan 8.380 nan 0.000 0.517 505 T N -3.530 110.865 114.554 -0.265 0.000 3.113 505 T HA 0.106 4.456 4.350 -0.000 0.000 0.256 505 T C 0.016 174.641 174.700 -0.125 0.000 1.131 505 T CA 1.186 63.136 62.100 -0.251 0.000 1.074 505 T CB -0.497 68.174 68.868 -0.328 0.000 0.944 505 T HN 0.732 nan 8.240 nan 0.000 0.516 506 E N 0.650 120.799 120.200 -0.086 0.000 2.801 506 E HA 0.272 4.622 4.350 -0.000 0.000 0.212 506 E C -0.088 176.491 176.600 -0.036 0.000 0.963 506 E CA -0.478 55.892 56.400 -0.049 0.000 1.247 506 E CB 0.112 29.796 29.700 -0.027 0.000 1.076 506 E HN 0.416 nan 8.360 nan 0.000 0.504 507 S N -0.647 115.027 115.700 -0.044 0.000 2.243 507 S HA 0.201 4.671 4.470 -0.000 0.000 0.296 507 S C -0.438 174.142 174.600 -0.033 0.000 0.803 507 S CA -0.568 57.614 58.200 -0.029 0.000 0.898 507 S CB -0.666 62.527 63.200 -0.012 0.000 1.230 507 S HN 0.316 nan 8.310 nan 0.000 0.420 508 T N 1.971 116.502 114.554 -0.039 0.000 2.729 508 T HA 0.672 5.022 4.350 -0.000 0.000 0.296 508 T C 0.037 174.718 174.700 -0.032 0.000 0.928 508 T CA -0.730 61.344 62.100 -0.044 0.000 1.045 508 T CB 0.540 69.371 68.868 -0.061 0.000 0.902 508 T HN 0.712 nan 8.240 nan 0.000 0.500 509 R N 2.474 122.955 120.500 -0.032 0.000 2.892 509 R HA 0.529 4.869 4.340 -0.000 0.000 0.265 509 R C -0.391 175.863 176.300 -0.076 0.000 1.025 509 R CA -1.143 54.935 56.100 -0.037 0.000 0.982 509 R CB 1.542 31.828 30.300 -0.023 0.000 1.185 509 R HN 0.545 nan 8.270 nan 0.000 0.484 510 I N 2.921 123.446 120.570 -0.074 0.000 2.315 510 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 510 I C 0.411 176.411 176.117 -0.194 0.000 1.006 510 I CA 0.020 61.254 61.300 -0.110 0.000 1.265 510 I CB 0.643 38.630 38.000 -0.021 0.000 1.387 510 I HN 0.420 nan 8.210 nan 0.000 0.475 511 M N 5.095 124.428 119.600 -0.446 0.000 2.644 511 M HA 0.487 4.967 4.480 -0.000 0.000 0.304 511 M C -0.000 176.016 176.300 -0.474 0.000 1.215 511 M CA -0.667 54.344 55.300 -0.481 0.000 0.871 511 M CB 2.855 35.143 32.600 -0.520 0.000 1.740 511 M HN 0.628 nan 8.290 nan 0.000 0.464 512 T N -2.184 112.313 114.554 -0.095 0.000 2.932 512 T HA 0.515 4.865 4.350 -0.000 0.000 0.289 512 T C -0.450 174.427 174.700 0.294 0.000 1.039 512 T CA -0.919 61.245 62.100 0.107 0.000 1.024 512 T CB 1.323 70.215 68.868 0.041 0.000 1.090 512 T HN 0.723 nan 8.240 nan 0.000 0.496 513 K N 0.824 121.391 120.400 0.279 0.000 4.040 513 K HA -0.177 4.143 4.320 -0.000 0.000 0.279 513 K C -0.224 176.479 176.600 0.172 0.000 0.890 513 K CA -0.205 56.188 56.287 0.177 0.000 0.782 513 K CB -1.667 30.889 32.500 0.092 0.000 1.613 513 K HN 0.591 nan 8.250 nan 0.000 0.440 514 L N 1.821 123.097 121.223 0.089 0.000 2.525 514 L HA -0.025 4.314 4.340 -0.000 0.000 0.278 514 L C 0.792 177.612 176.870 -0.083 0.000 1.218 514 L CA 0.680 55.402 54.840 -0.198 0.000 0.878 514 L CB 0.236 41.839 42.059 -0.758 0.000 1.127 514 L HN 0.456 nan 8.230 nan 0.000 0.492 515 R N 2.564 123.043 120.500 -0.035 0.000 3.627 515 R HA -0.274 4.066 4.340 -0.000 0.000 0.281 515 R C 1.169 177.524 176.300 0.091 0.000 1.140 515 R CA 0.881 57.017 56.100 0.059 0.000 0.761 515 R CB -2.672 27.685 30.300 0.094 0.000 1.181 515 R HN 0.901 nan 8.270 nan 0.000 0.472 516 A N 0.995 123.859 122.820 0.073 0.000 1.859 516 A HA -0.329 3.990 4.320 -0.000 0.000 0.218 516 A C 2.194 179.832 177.584 0.090 0.000 1.209 516 A CA 2.047 54.129 52.037 0.075 0.000 0.639 516 A CB -0.345 18.692 19.000 0.061 0.000 0.835 516 A HN 0.645 nan 8.150 nan 0.000 0.450 517 Q N -0.949 118.905 119.800 0.090 0.000 2.096 517 Q HA -0.264 4.075 4.340 -0.000 0.000 0.204 517 Q C 2.137 178.229 176.000 0.154 0.000 0.982 517 Q CA 1.902 57.773 55.803 0.113 0.000 0.850 517 Q CB -0.320 28.473 28.738 0.092 0.000 0.901 517 Q HN 0.778 nan 8.270 nan 0.000 0.422 518 Q N -0.118 119.788 119.800 0.177 0.000 2.187 518 Q HA -0.025 4.315 4.340 -0.000 0.000 0.199 518 Q C 2.010 178.204 176.000 0.324 0.000 0.957 518 Q CA 1.254 57.188 55.803 0.218 0.000 0.857 518 Q CB -0.114 28.826 28.738 0.337 0.000 0.929 518 Q HN 0.383 nan 8.270 nan 0.000 0.453 519 c N -0.185 118.580 118.600 0.276 0.000 2.467 519 c HA 0.077 4.647 4.570 -0.000 0.000 0.279 519 c C 2.452 176.671 174.090 0.215 0.000 1.347 519 c CA -0.061 56.450 56.329 0.302 0.000 1.748 519 c CB -0.608 42.030 42.510 0.213 0.000 1.977 519 c HN 0.489 nan 8.230 nan 0.000 0.501 520 R N 0.606 121.183 120.500 0.128 0.000 2.122 520 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 520 R C 2.070 178.401 176.300 0.053 0.000 1.129 520 R CA 2.342 58.488 56.100 0.076 0.000 0.925 520 R CB -0.713 29.611 30.300 0.040 0.000 0.850 520 R HN 0.508 nan 8.270 nan 0.000 0.431 521 F N -0.229 119.587 119.950 -0.222 0.000 2.043 521 F HA -0.290 4.237 4.527 -0.001 0.000 0.297 521 F C 1.644 177.372 175.800 -0.120 0.000 1.118 521 F CA 2.114 59.899 58.000 -0.358 0.000 1.202 521 F CB -0.610 37.810 39.000 -0.966 0.000 0.965 521 F HN 0.157 nan 8.300 nan 0.000 0.482 522 W N -0.793 120.533 121.300 0.043 0.000 2.519 522 W HA -0.041 4.619 4.660 -0.000 0.000 0.266 522 W C 2.564 179.121 176.519 0.064 0.000 1.253 522 W CA 1.000 58.368 57.345 0.038 0.000 1.274 522 W CB -0.474 29.141 29.460 0.259 0.000 1.114 522 W HN -0.052 nan 8.180 nan 0.000 0.596 523 T N -1.838 112.861 114.554 0.241 0.000 3.037 523 T HA -0.018 4.332 4.350 -0.000 0.000 0.252 523 T C 1.758 176.515 174.700 0.094 0.000 1.073 523 T CA 1.509 63.711 62.100 0.171 0.000 1.091 523 T CB -0.019 68.939 68.868 0.150 0.000 0.935 523 T HN 0.167 nan 8.240 nan 0.000 0.488 524 S N -0.955 114.775 115.700 0.050 0.000 3.792 524 S HA 0.231 4.701 4.470 -0.000 0.000 0.229 524 S C 1.453 176.042 174.600 -0.019 0.000 1.118 524 S CA -0.236 57.979 58.200 0.024 0.000 0.877 524 S CB -0.861 62.368 63.200 0.049 0.000 1.077 524 S HN 0.301 nan 8.310 nan 0.000 0.546 525 F N 1.961 121.808 119.950 -0.173 0.000 2.065 525 F HA -0.047 4.480 4.527 0.000 0.000 0.298 525 F C 2.085 177.682 175.800 -0.339 0.000 1.112 525 F CA 2.148 60.016 58.000 -0.220 0.000 1.212 525 F CB -0.368 38.526 39.000 -0.175 0.000 0.975 525 F HN 0.289 nan 8.300 nan 0.000 0.476 526 F N 1.703 121.142 119.950 -0.852 0.000 2.051 526 F HA -0.052 4.474 4.527 -0.001 0.000 0.296 526 F C -0.921 174.586 175.800 -0.488 0.000 1.122 526 F CA 1.340 58.774 58.000 -0.944 0.000 1.201 526 F CB -1.951 36.293 39.000 -1.260 0.000 0.978 526 F HN -0.092 nan 8.300 nan 0.000 0.472 527 P HA -0.168 nan 4.420 nan 0.000 0.219 527 P C 1.217 178.307 177.300 -0.351 0.000 1.146 527 P CA 1.887 64.803 63.100 -0.308 0.000 0.808 527 P CB -0.126 31.544 31.700 -0.049 0.000 0.779 528 K N -0.511 119.678 120.400 -0.353 0.000 2.001 528 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 528 K C 1.889 178.266 176.600 -0.372 0.000 1.048 528 K CA 1.261 57.370 56.287 -0.297 0.000 0.932 528 K CB -0.864 31.498 32.500 -0.229 0.000 0.715 528 K HN -0.041 nan 8.250 nan 0.000 0.437 529 V N 2.230 121.785 119.914 -0.599 0.000 2.453 529 V HA -0.265 3.855 4.120 -0.000 0.000 0.252 529 V C 2.175 178.020 176.094 -0.414 0.000 1.068 529 V CA 1.582 63.564 62.300 -0.529 0.000 1.070 529 V CB -0.506 30.840 31.823 -0.794 0.000 0.664 529 V HN 0.328 nan 8.190 nan 0.000 0.461 530 L N -0.582 120.315 121.223 -0.543 0.000 2.156 530 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 530 L C 2.551 179.300 176.870 -0.202 0.000 1.095 530 L CA 1.335 55.943 54.840 -0.386 0.000 0.770 530 L CB -0.585 41.207 42.059 -0.446 0.000 0.914 530 L HN 0.405 nan 8.230 nan 0.000 0.439 531 E N -0.017 120.074 120.200 -0.183 0.000 2.160 531 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 531 E C 2.208 178.761 176.600 -0.078 0.000 0.991 531 E CA 1.241 57.577 56.400 -0.107 0.000 0.810 531 E CB -0.094 29.549 29.700 -0.094 0.000 0.742 531 E HN 0.459 nan 8.360 nan 0.000 0.466 532 M N 0.010 119.559 119.600 -0.085 0.000 2.296 532 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 532 M C 0.205 176.484 176.300 -0.034 0.000 1.064 532 M CA 1.037 56.309 55.300 -0.047 0.000 1.109 532 M CB 0.384 32.970 32.600 -0.025 0.000 1.396 532 M HN -0.064 nan 8.290 nan 0.000 0.430 533 T N -0.358 114.172 114.554 -0.040 0.000 3.209 533 T HA 0.670 5.020 4.350 -0.000 0.000 0.366 533 T C -0.116 174.576 174.700 -0.014 0.000 1.293 533 T CA -0.326 61.763 62.100 -0.018 0.000 1.417 533 T CB 0.688 69.558 68.868 0.002 0.000 1.013 533 T HN 0.506 nan 8.240 nan 0.000 0.572 534 G N 0.000 108.793 108.800 -0.011 0.000 5.446 534 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 534 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 534 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 534 G HN 0.000 nan 8.290 nan 0.000 0.925