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 3g8e_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKEVYR EHFQDDVFNE RGWNYILEKY DATA SEQUENCE DGHLPIEVKA VPEGSVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGIALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTEAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLDIL GKKFPVSENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKKWSIENV SFGSGGALLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGVNVFKDPV ADPNKRSKKG RLSLHRTPAG TFVTLEEGKG DLEEYGHDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEVRK NAQLN 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.819 175.800 0.032 0.000 0.967 9 F CA 0.000 58.020 58.000 0.033 0.000 1.383 9 F CB 0.000 39.038 39.000 0.063 0.000 1.145 10 N N 6.370 124.659 118.700 -0.685 0.000 2.455 10 N HA 0.284 4.842 4.740 -0.303 0.000 0.280 10 N C 0.127 175.093 175.510 -0.908 0.000 1.055 10 N CA -0.360 52.331 53.050 -0.598 0.000 0.961 10 N CB 1.450 39.718 38.487 -0.364 0.000 1.121 10 N HN 0.879 nan 8.380 nan 0.000 0.476 11 I N 3.352 123.624 120.570 -0.496 0.000 3.875 11 I HA 0.040 4.029 4.170 -0.303 0.000 0.329 11 I C 0.348 176.505 176.117 0.066 0.000 1.295 11 I CA 0.058 61.255 61.300 -0.173 0.000 1.129 11 I CB 0.077 38.214 38.000 0.227 0.000 1.008 11 I HN 0.435 nan 8.210 nan 0.000 0.413 12 L N 1.439 122.578 121.223 -0.139 0.000 2.599 12 L HA 0.067 4.225 4.340 -0.303 0.000 0.230 12 L C 1.123 178.250 176.870 0.428 0.000 1.141 12 L CA 0.950 55.798 54.840 0.013 0.000 0.877 12 L CB -0.237 41.562 42.059 -0.434 0.000 1.009 12 L HN 0.234 nan 8.230 nan 0.000 0.447 13 L N -3.338 117.965 121.223 0.134 0.000 3.186 13 L HA 0.624 4.782 4.340 -0.303 0.000 0.317 13 L C 0.371 177.265 176.870 0.039 0.000 1.296 13 L CA 0.038 54.948 54.840 0.117 0.000 0.870 13 L CB -0.428 41.524 42.059 -0.178 0.000 1.302 13 L HN 0.002 nan 8.230 nan 0.000 0.590 14 A N 0.166 123.064 122.820 0.131 0.000 2.956 14 A HA 0.632 4.770 4.320 -0.303 0.000 0.294 14 A C 0.102 177.736 177.584 0.083 0.000 0.993 14 A CA -0.154 51.967 52.037 0.140 0.000 1.032 14 A CB 0.502 19.688 19.000 0.310 0.000 1.129 14 A HN 0.402 nan 8.150 nan 0.000 0.505 15 T N -0.994 113.524 114.554 -0.060 0.000 2.821 15 T HA 0.366 4.534 4.350 -0.303 0.000 0.306 15 T C -1.733 172.850 174.700 -0.195 0.000 1.313 15 T CA -0.550 61.388 62.100 -0.271 0.000 1.012 15 T CB 1.217 69.543 68.868 -0.903 0.000 1.298 15 T HN 0.227 nan 8.240 nan 0.000 0.502 16 D N 2.031 122.347 120.400 -0.140 0.000 2.414 16 D HA 0.203 4.661 4.640 -0.303 0.000 0.242 16 D C 1.255 177.567 176.300 0.019 0.000 1.129 16 D CA 0.161 54.187 54.000 0.042 0.000 0.885 16 D CB 1.557 42.563 40.800 0.345 0.000 1.198 16 D HN 0.532 nan 8.370 nan 0.000 0.437 17 S N 1.729 117.496 115.700 0.113 0.000 2.369 17 S HA -0.281 4.007 4.470 -0.303 0.000 0.225 17 S C 1.928 176.705 174.600 0.295 0.000 1.043 17 S CA 1.609 59.904 58.200 0.160 0.000 1.074 17 S CB -0.716 62.601 63.200 0.196 0.000 0.962 17 S HN 0.749 nan 8.310 nan 0.000 0.433 18 Y N 1.310 121.615 120.300 0.008 0.000 2.446 18 Y HA -0.027 4.341 4.550 -0.303 0.000 0.287 18 Y C 1.949 177.560 175.900 -0.482 0.000 1.159 18 Y CA 1.087 59.155 58.100 -0.053 0.000 1.297 18 Y CB -0.259 38.178 38.460 -0.038 0.000 0.974 18 Y HN 0.030 nan 8.280 nan 0.000 0.557 19 K N 0.915 120.705 120.400 -1.016 0.000 2.288 19 K HA -0.021 4.117 4.320 -0.303 0.000 0.201 19 K C 1.709 177.974 176.600 -0.558 0.000 1.048 19 K CA 0.980 56.464 56.287 -1.338 0.000 0.956 19 K CB -0.213 31.779 32.500 -0.846 0.000 0.746 19 K HN 0.348 nan 8.250 nan 0.000 0.461 20 V N 0.691 120.397 119.914 -0.348 0.000 2.594 20 V HA -0.238 3.700 4.120 -0.303 0.000 0.253 20 V C 2.214 178.338 176.094 0.050 0.000 1.069 20 V CA 2.124 64.382 62.300 -0.069 0.000 1.082 20 V CB -0.987 30.715 31.823 -0.202 0.000 0.680 20 V HN 0.573 nan 8.190 nan 0.000 0.469 21 T N -2.674 111.791 114.554 -0.149 0.000 2.937 21 T HA -0.187 3.982 4.350 -0.303 0.000 0.260 21 T C 1.812 176.470 174.700 -0.069 0.000 1.051 21 T CA 1.043 63.045 62.100 -0.162 0.000 1.141 21 T CB -0.520 68.251 68.868 -0.162 0.000 0.879 21 T HN 0.431 nan 8.240 nan 0.000 0.459 22 H N 1.810 120.813 119.070 -0.112 0.000 2.450 22 H HA -0.186 4.188 4.556 -0.303 0.000 0.291 22 H C 1.772 177.054 175.328 -0.077 0.000 1.128 22 H CA 1.880 57.844 56.048 -0.141 0.000 1.203 22 H CB -1.187 28.522 29.762 -0.089 0.000 1.356 22 H HN 0.886 nan 8.280 nan 0.000 0.503 23 Y N 0.514 120.906 120.300 0.153 0.000 2.680 23 Y HA 0.079 4.447 4.550 -0.303 0.000 0.303 23 Y C 0.911 176.914 175.900 0.171 0.000 1.166 23 Y CA 0.286 58.519 58.100 0.221 0.000 1.344 23 Y CB -0.141 38.262 38.460 -0.095 0.000 1.002 23 Y HN 0.030 nan 8.280 nan 0.000 0.537 24 K N 0.294 120.456 120.400 -0.395 0.000 2.414 24 K HA 0.196 4.334 4.320 -0.303 0.000 0.204 24 K C 0.462 176.949 176.600 -0.189 0.000 1.026 24 K CA 0.098 56.188 56.287 -0.329 0.000 1.108 24 K CB 0.366 32.572 32.500 -0.489 0.000 0.855 24 K HN 0.447 nan 8.250 nan 0.000 0.517 25 Q N -0.419 119.247 119.800 -0.223 0.000 2.189 25 Q HA 0.158 4.316 4.340 -0.303 0.000 0.223 25 Q C -0.440 175.413 176.000 -0.246 0.000 0.828 25 Q CA -0.169 55.480 55.803 -0.257 0.000 0.967 25 Q CB 0.481 29.018 28.738 -0.334 0.000 1.139 25 Q HN 0.246 nan 8.270 nan 0.000 0.497 26 Y N 2.796 123.112 120.300 0.026 0.000 2.301 26 Y HA 0.177 4.545 4.550 -0.303 0.000 0.328 26 Y C -1.718 174.156 175.900 -0.042 0.000 1.242 26 Y CA -2.438 55.666 58.100 0.008 0.000 1.323 26 Y CB 0.242 38.728 38.460 0.043 0.000 1.266 26 Y HN 0.009 nan 8.280 nan 0.000 0.527 27 P HA 0.058 nan 4.420 nan 0.000 0.267 27 P C -2.635 174.658 177.300 -0.011 0.000 1.209 27 P CA -1.076 62.043 63.100 0.032 0.000 0.763 27 P CB 0.383 32.094 31.700 0.018 0.000 0.816 28 P HA -0.117 nan 4.420 nan 0.000 0.266 28 P C 0.258 177.514 177.300 -0.074 0.000 1.180 28 P CA 0.843 63.920 63.100 -0.039 0.000 0.765 28 P CB 0.030 31.718 31.700 -0.019 0.000 0.806 29 N N -1.423 117.218 118.700 -0.099 0.000 2.780 29 N HA -0.126 4.432 4.740 -0.303 0.000 0.248 29 N C -0.728 174.684 175.510 -0.164 0.000 1.102 29 N CA 1.059 54.045 53.050 -0.106 0.000 0.697 29 N CB -2.064 36.385 38.487 -0.063 0.000 1.028 29 N HN 0.340 nan 8.380 nan 0.000 0.554 30 T N -0.301 114.075 114.554 -0.297 0.000 2.799 30 T HA 0.439 4.608 4.350 -0.303 0.000 0.286 30 T C 1.344 175.796 174.700 -0.413 0.000 0.973 30 T CA 0.154 62.034 62.100 -0.366 0.000 1.035 30 T CB 1.264 69.844 68.868 -0.480 0.000 0.932 30 T HN 0.307 nan 8.240 nan 0.000 0.469 31 S N 2.112 117.692 115.700 -0.201 0.000 2.554 31 S HA 0.319 4.607 4.470 -0.303 0.000 0.227 31 S C 0.438 175.042 174.600 0.006 0.000 1.050 31 S CA -0.315 57.847 58.200 -0.063 0.000 0.927 31 S CB 0.390 63.572 63.200 -0.031 0.000 0.859 31 S HN 0.292 nan 8.310 nan 0.000 0.494 32 K N 1.896 122.271 120.400 -0.041 0.000 2.502 32 K HA 0.587 4.726 4.320 -0.303 0.000 0.254 32 K C -1.811 174.795 176.600 0.010 0.000 0.947 32 K CA -0.349 55.947 56.287 0.014 0.000 0.834 32 K CB 2.148 34.668 32.500 0.032 0.000 1.112 32 K HN 0.093 nan 8.250 nan 0.000 0.427 33 V N 5.437 125.392 119.914 0.069 0.000 2.304 33 V HA 0.234 4.172 4.120 -0.303 0.000 0.278 33 V C -0.783 175.453 176.094 0.237 0.000 1.018 33 V CA -0.949 61.411 62.300 0.099 0.000 0.814 33 V CB 0.682 32.523 31.823 0.029 0.000 1.021 33 V HN 0.605 nan 8.190 nan 0.000 0.440 34 Y N 4.325 124.721 120.300 0.159 0.000 2.335 34 Y HA 0.672 5.040 4.550 -0.303 0.000 0.339 34 Y C 0.242 176.257 175.900 0.192 0.000 0.987 34 Y CA 0.081 58.301 58.100 0.200 0.000 1.140 34 Y CB 1.317 39.948 38.460 0.285 0.000 1.173 34 Y HN 0.552 nan 8.280 nan 0.000 0.486 35 S N 5.854 121.523 115.700 -0.052 0.000 2.566 35 S HA 0.505 4.793 4.470 -0.303 0.000 0.298 35 S C -1.586 172.755 174.600 -0.431 0.000 1.083 35 S CA -0.665 57.446 58.200 -0.149 0.000 0.978 35 S CB 1.239 64.362 63.200 -0.128 0.000 1.073 35 S HN 0.729 nan 8.310 nan 0.000 0.491 36 Y N 0.131 120.060 120.300 -0.617 0.000 2.536 36 Y HA 0.830 5.198 4.550 -0.303 0.000 0.347 36 Y C -1.382 174.138 175.900 -0.633 0.000 1.000 36 Y CA -1.475 56.310 58.100 -0.524 0.000 1.051 36 Y CB 0.891 39.185 38.460 -0.276 0.000 1.259 36 Y HN 0.543 nan 8.280 nan 0.000 0.468 37 F N 3.078 122.428 119.950 -0.999 0.000 2.450 37 F HA 0.647 4.991 4.527 -0.304 0.000 0.332 37 F C -0.671 174.732 175.800 -0.663 0.000 1.093 37 F CA -0.339 57.017 58.000 -1.074 0.000 1.003 37 F CB 1.453 39.300 39.000 -1.922 0.000 1.151 37 F HN 0.848 nan 8.300 nan 0.000 0.474 38 E N 2.514 121.962 120.200 -1.254 0.000 2.447 38 E HA 0.449 4.617 4.350 -0.303 0.000 0.279 38 E C -1.963 174.198 176.600 -0.732 0.000 1.053 38 E CA -1.108 54.873 56.400 -0.699 0.000 0.840 38 E CB 1.360 30.902 29.700 -0.263 0.000 1.409 38 E HN 0.484 nan 8.360 nan 0.000 0.461 39 C N 2.085 121.188 119.300 -0.328 0.000 2.787 39 C HA 0.422 4.701 4.460 -0.303 0.000 0.265 39 C C 0.217 175.141 174.990 -0.110 0.000 1.190 39 C CA -0.576 58.328 59.018 -0.191 0.000 1.616 39 C CB -1.285 26.421 27.740 -0.057 0.000 1.732 39 C HN 0.459 nan 8.230 nan 0.000 0.433 40 R N 1.519 121.946 120.500 -0.121 0.000 2.705 40 R HA 0.003 4.161 4.340 -0.303 0.000 0.264 40 R C 0.525 176.811 176.300 -0.023 0.000 0.988 40 R CA 0.696 56.763 56.100 -0.056 0.000 1.103 40 R CB 0.846 31.116 30.300 -0.049 0.000 0.950 40 R HN 0.687 nan 8.270 nan 0.000 0.427 55 E N 1.409 121.696 120.200 0.144 0.000 3.293 55 E HA 0.286 4.454 4.350 -0.303 0.000 0.174 55 E C -1.067 175.580 176.600 0.077 0.000 0.958 55 E CA -0.487 55.970 56.400 0.094 0.000 1.352 55 E CB 0.788 30.524 29.700 0.061 0.000 1.066 55 E HN 0.617 nan 8.360 nan 0.000 0.448 56 E N 0.201 120.452 120.200 0.086 0.000 2.883 56 E HA 0.147 4.315 4.350 -0.303 0.000 0.355 56 E C -0.866 175.777 176.600 0.071 0.000 0.939 56 E CA -0.789 55.648 56.400 0.062 0.000 0.783 56 E CB 0.401 30.139 29.700 0.062 0.000 1.361 56 E HN 0.151 nan 8.360 nan 0.000 0.413 57 T N -0.670 113.920 114.554 0.060 0.000 2.927 57 T HA 0.589 4.757 4.350 -0.303 0.000 0.281 57 T C 0.180 174.924 174.700 0.074 0.000 0.998 57 T CA -0.831 61.319 62.100 0.083 0.000 1.019 57 T CB 1.553 70.486 68.868 0.110 0.000 1.061 57 T HN 0.289 nan 8.240 nan 0.000 0.518 58 V N 2.472 122.438 119.914 0.085 0.000 2.364 58 V HA 0.313 4.251 4.120 -0.303 0.000 0.272 58 V C -0.414 175.773 176.094 0.156 0.000 1.036 58 V CA -0.821 61.521 62.300 0.070 0.000 0.880 58 V CB 0.164 31.990 31.823 0.006 0.000 0.991 58 V HN 0.832 nan 8.190 nan 0.000 0.460 59 F N 8.000 127.961 119.950 0.019 0.000 2.439 59 F HA 0.497 4.842 4.527 -0.304 0.000 0.356 59 F C -0.678 175.187 175.800 0.109 0.000 1.161 59 F CA -0.656 57.381 58.000 0.061 0.000 1.151 59 F CB -0.098 38.921 39.000 0.032 0.000 1.222 59 F HN 0.517 nan 8.300 nan 0.000 0.558 60 Y N 4.477 124.468 120.300 -0.516 0.000 2.524 60 Y HA 0.595 4.963 4.550 -0.303 0.000 0.347 60 Y C 0.315 175.959 175.900 -0.427 0.000 1.005 60 Y CA -0.810 56.992 58.100 -0.497 0.000 1.025 60 Y CB 2.097 40.382 38.460 -0.292 0.000 1.275 60 Y HN 0.683 nan 8.280 nan 0.000 0.460 61 G N 3.215 111.327 108.800 -1.147 0.000 2.339 61 G HA2 -0.300 3.479 3.960 -0.303 0.000 0.209 61 G HA3 -0.300 3.479 3.960 -0.303 0.000 0.209 61 G C 0.701 175.382 174.900 -0.366 0.000 1.015 61 G CA 0.220 44.810 45.100 -0.850 0.000 0.635 61 G HN 0.955 nan 8.290 nan 0.000 0.499 62 L N 1.560 122.538 121.223 -0.408 0.000 2.064 62 L HA -0.085 4.074 4.340 -0.303 0.000 0.216 62 L C 2.582 179.354 176.870 -0.164 0.000 1.077 62 L CA 3.414 58.104 54.840 -0.251 0.000 0.766 62 L CB -0.647 41.321 42.059 -0.151 0.000 0.890 62 L HN 0.606 nan 8.230 nan 0.000 0.435 63 Q N -2.383 117.363 119.800 -0.091 0.000 2.368 63 Q HA -0.259 3.899 4.340 -0.303 0.000 0.210 63 Q C 1.935 177.853 176.000 -0.135 0.000 0.982 63 Q CA 1.815 57.574 55.803 -0.073 0.000 0.884 63 Q CB -0.213 28.509 28.738 -0.026 0.000 0.933 63 Q HN 0.753 nan 8.270 nan 0.000 0.460 64 Y N -0.242 119.897 120.300 -0.268 0.000 2.197 64 Y HA -0.054 4.315 4.550 -0.301 0.000 0.281 64 Y C 1.778 177.487 175.900 -0.319 0.000 1.099 64 Y CA 1.238 59.100 58.100 -0.397 0.000 1.092 64 Y CB -0.532 37.693 38.460 -0.392 0.000 1.028 64 Y HN -0.007 nan 8.280 nan 0.000 0.489 65 I N 1.034 121.449 120.570 -0.258 0.000 2.103 65 I HA -0.338 3.651 4.170 -0.303 0.000 0.241 65 I C 1.822 177.786 176.117 -0.254 0.000 1.036 65 I CA 1.440 62.593 61.300 -0.246 0.000 1.300 65 I CB -0.533 37.398 38.000 -0.114 0.000 1.010 65 I HN 0.312 nan 8.210 nan 0.000 0.406 66 L N 1.834 122.895 121.223 -0.269 0.000 2.974 66 L HA -0.021 4.138 4.340 -0.303 0.000 0.250 66 L C 0.666 177.360 176.870 -0.294 0.000 1.376 66 L CA 1.025 55.653 54.840 -0.353 0.000 1.170 66 L CB -1.127 40.720 42.059 -0.353 0.000 1.577 66 L HN 0.515 nan 8.230 nan 0.000 0.429 67 N N -0.044 118.503 118.700 -0.254 0.000 2.351 67 N HA -0.098 4.460 4.740 -0.303 0.000 0.327 67 N C 1.106 176.526 175.510 -0.149 0.000 0.832 67 N CA 0.254 53.219 53.050 -0.143 0.000 0.596 67 N CB 0.207 38.665 38.487 -0.049 0.000 2.321 67 N HN 0.341 nan 8.380 nan 0.000 1.009 68 K N -0.659 119.522 120.400 -0.367 0.000 2.367 68 K HA 0.182 4.321 4.320 -0.303 0.000 0.194 68 K C 0.472 176.589 176.600 -0.804 0.000 1.027 68 K CA 0.391 56.348 56.287 -0.550 0.000 1.075 68 K CB 0.390 32.300 32.500 -0.983 0.000 0.845 68 K HN 0.169 nan 8.250 nan 0.000 0.529 69 Y N -1.057 119.025 120.300 -0.364 0.000 2.723 69 Y HA 0.183 4.551 4.550 -0.303 0.000 0.272 69 Y C 1.535 177.392 175.900 -0.071 0.000 1.142 69 Y CA -0.395 57.532 58.100 -0.288 0.000 1.217 69 Y CB 0.684 38.911 38.460 -0.388 0.000 1.391 69 Y HN -0.150 nan 8.280 nan 0.000 0.479 70 L N 0.039 121.256 121.223 -0.010 0.000 2.354 70 L HA 0.041 4.199 4.340 -0.303 0.000 0.212 70 L C 1.651 178.543 176.870 0.037 0.000 1.091 70 L CA 0.415 55.224 54.840 -0.051 0.000 0.828 70 L CB -0.240 41.582 42.059 -0.395 0.000 0.973 70 L HN 0.113 nan 8.230 nan 0.000 0.461 71 K N 0.799 121.196 120.400 -0.006 0.000 2.581 71 K HA -0.171 3.968 4.320 -0.303 0.000 0.269 71 K C 1.230 177.882 176.600 0.086 0.000 0.764 71 K CA 0.951 57.320 56.287 0.136 0.000 0.830 71 K CB -0.335 32.181 32.500 0.026 0.000 0.492 71 K HN 0.145 nan 8.250 nan 0.000 0.978 72 G N 0.616 109.397 108.800 -0.032 0.000 3.466 72 G HA2 -0.308 3.470 3.960 -0.303 0.000 0.966 72 G HA3 -0.308 3.470 3.960 -0.303 0.000 0.966 72 G C -0.102 174.687 174.900 -0.184 0.000 0.915 72 G CA 0.483 45.484 45.100 -0.165 0.000 0.884 72 G HN 0.620 nan 8.290 nan 0.000 1.248 73 K N 0.661 121.142 120.400 0.135 0.000 2.273 73 K HA 0.339 4.477 4.320 -0.303 0.000 0.287 73 K C 0.907 177.624 176.600 0.195 0.000 1.089 73 K CA 0.134 56.620 56.287 0.332 0.000 0.909 73 K CB 0.763 33.434 32.500 0.285 0.000 1.123 73 K HN 0.394 nan 8.250 nan 0.000 0.473 74 V N 1.616 121.653 119.914 0.205 0.000 3.477 74 V HA 0.236 4.174 4.120 -0.303 0.000 0.297 74 V C -0.085 176.089 176.094 0.134 0.000 1.433 74 V CA -0.344 62.057 62.300 0.169 0.000 1.052 74 V CB 0.764 32.705 31.823 0.197 0.000 0.895 74 V HN 0.201 nan 8.190 nan 0.000 0.438 75 V N 1.507 121.516 119.914 0.160 0.000 2.769 75 V HA 0.870 4.808 4.120 -0.303 0.000 0.312 75 V C -0.004 176.148 176.094 0.097 0.000 1.061 75 V CA 0.482 62.855 62.300 0.121 0.000 0.931 75 V CB 1.779 33.768 31.823 0.277 0.000 1.010 75 V HN 0.673 nan 8.190 nan 0.000 0.433 76 T N 0.003 114.587 114.554 0.050 0.000 2.853 76 T HA 0.344 4.512 4.350 -0.303 0.000 0.311 76 T C 0.633 175.355 174.700 0.037 0.000 1.307 76 T CA -0.298 61.829 62.100 0.045 0.000 1.019 76 T CB 1.864 70.748 68.868 0.027 0.000 1.264 76 T HN 0.718 nan 8.240 nan 0.000 0.497 77 K N 0.687 121.110 120.400 0.038 0.000 2.144 77 K HA -0.267 3.871 4.320 -0.303 0.000 0.209 77 K C 1.209 177.824 176.600 0.025 0.000 1.047 77 K CA 2.567 58.875 56.287 0.036 0.000 0.927 77 K CB -0.148 32.368 32.500 0.027 0.000 0.716 77 K HN 0.689 nan 8.250 nan 0.000 0.454 78 E N 0.542 120.746 120.200 0.008 0.000 2.042 78 E HA -0.015 4.153 4.350 -0.303 0.000 0.189 78 E C 1.865 178.444 176.600 -0.034 0.000 0.974 78 E CA 1.018 57.412 56.400 -0.010 0.000 0.806 78 E CB 0.014 29.705 29.700 -0.015 0.000 0.769 78 E HN 0.262 nan 8.360 nan 0.000 0.451 79 K N 0.524 120.895 120.400 -0.049 0.000 2.211 79 K HA -0.096 4.042 4.320 -0.303 0.000 0.204 79 K C 1.759 178.297 176.600 -0.104 0.000 1.047 79 K CA 0.812 57.035 56.287 -0.106 0.000 0.935 79 K CB -0.077 32.349 32.500 -0.122 0.000 0.728 79 K HN 0.123 nan 8.250 nan 0.000 0.452 80 I N 0.921 121.479 120.570 -0.020 0.000 2.439 80 I HA -0.190 3.798 4.170 -0.303 0.000 0.251 80 I C 2.430 178.626 176.117 0.132 0.000 1.139 80 I CA 1.355 62.709 61.300 0.090 0.000 1.438 80 I CB -0.718 37.352 38.000 0.118 0.000 1.085 80 I HN 0.204 nan 8.210 nan 0.000 0.427 81 Q N 1.241 121.069 119.800 0.048 0.000 2.163 81 Q HA -0.149 4.009 4.340 -0.303 0.000 0.198 81 Q C 2.107 178.091 176.000 -0.028 0.000 0.954 81 Q CA 1.483 57.308 55.803 0.037 0.000 0.851 81 Q CB -0.135 28.616 28.738 0.021 0.000 0.928 81 Q HN 0.492 nan 8.270 nan 0.000 0.459 82 E N -0.518 119.632 120.200 -0.084 0.000 2.051 82 E HA -0.161 4.007 4.350 -0.303 0.000 0.192 82 E C 1.515 177.960 176.600 -0.259 0.000 0.991 82 E CA 1.090 57.402 56.400 -0.148 0.000 0.799 82 E CB -0.238 29.368 29.700 -0.157 0.000 0.748 82 E HN 0.431 nan 8.360 nan 0.000 0.449 83 A N 1.008 123.620 122.820 -0.348 0.000 2.172 83 A HA -0.128 4.011 4.320 -0.303 0.000 0.216 83 A C 1.989 179.167 177.584 -0.677 0.000 1.154 83 A CA 0.899 52.534 52.037 -0.671 0.000 0.701 83 A CB -0.285 18.300 19.000 -0.692 0.000 0.789 83 A HN 0.122 nan 8.150 nan 0.000 0.465 84 K N 0.187 120.436 120.400 -0.252 0.000 2.005 84 K HA -0.119 4.019 4.320 -0.303 0.000 0.206 84 K C 1.817 178.430 176.600 0.022 0.000 1.044 84 K CA 1.441 57.747 56.287 0.031 0.000 0.942 84 K CB -0.140 32.467 32.500 0.178 0.000 0.727 84 K HN 0.731 nan 8.250 nan 0.000 0.439 85 E N 0.426 120.609 120.200 -0.028 0.000 2.268 85 E HA -0.105 4.063 4.350 -0.303 0.000 0.195 85 E C 1.925 178.501 176.600 -0.039 0.000 0.995 85 E CA 0.851 57.246 56.400 -0.010 0.000 0.836 85 E CB -0.019 29.668 29.700 -0.022 0.000 0.763 85 E HN 0.056 nan 8.360 nan 0.000 0.491 86 V N 0.662 120.482 119.914 -0.156 0.000 2.273 86 V HA -0.197 3.742 4.120 -0.303 0.000 0.242 86 V C 1.461 177.512 176.094 -0.072 0.000 1.035 86 V CA 1.234 63.406 62.300 -0.214 0.000 1.013 86 V CB -0.781 30.769 31.823 -0.456 0.000 0.652 86 V HN 0.272 nan 8.190 nan 0.000 0.452 87 Y N 0.755 121.049 120.300 -0.010 0.000 2.922 87 Y HA 0.060 4.428 4.550 -0.303 0.000 0.379 87 Y C 2.005 178.099 175.900 0.324 0.000 1.057 87 Y CA -0.044 58.192 58.100 0.225 0.000 1.687 87 Y CB -0.133 38.407 38.460 0.133 0.000 1.707 87 Y HN 0.170 nan 8.280 nan 0.000 0.462 88 R N -0.256 120.444 120.500 0.334 0.000 2.716 88 R HA 0.059 4.217 4.340 -0.303 0.000 0.186 88 R C 1.285 177.705 176.300 0.200 0.000 0.830 88 R CA 0.604 56.859 56.100 0.259 0.000 1.059 88 R CB -0.048 30.352 30.300 0.166 0.000 1.531 88 R HN 0.099 nan 8.270 nan 0.000 0.633 89 E N -0.451 119.837 120.200 0.148 0.000 2.340 89 E HA 0.052 4.220 4.350 -0.303 0.000 0.194 89 E C 1.352 178.019 176.600 0.112 0.000 0.996 89 E CA 0.726 57.186 56.400 0.100 0.000 0.869 89 E CB -0.142 29.591 29.700 0.054 0.000 0.835 89 E HN 0.494 nan 8.360 nan 0.000 0.493 90 H N -1.204 117.873 119.070 0.011 0.000 2.276 90 H HA -0.075 4.299 4.556 -0.303 0.000 0.301 90 H C 1.088 176.342 175.328 -0.124 0.000 1.073 90 H CA 1.543 57.528 56.048 -0.105 0.000 1.311 90 H CB -0.070 29.593 29.762 -0.165 0.000 1.379 90 H HN 0.238 nan 8.280 nan 0.000 0.494 91 F N 0.457 120.463 119.950 0.094 0.000 2.710 91 F HA -0.010 4.336 4.527 -0.303 0.000 0.298 91 F C 0.909 176.720 175.800 0.018 0.000 1.137 91 F CA 0.221 58.227 58.000 0.011 0.000 1.444 91 F CB 0.326 39.378 39.000 0.087 0.000 1.111 91 F HN 0.170 nan 8.300 nan 0.000 0.580 92 Q N 1.110 121.026 119.800 0.194 0.000 2.487 92 Q HA -0.241 3.917 4.340 -0.303 0.000 0.279 92 Q C -1.160 174.924 176.000 0.140 0.000 1.228 92 Q CA 1.300 57.179 55.803 0.126 0.000 0.873 92 Q CB -1.480 27.306 28.738 0.079 0.000 1.260 92 Q HN 0.619 nan 8.270 nan 0.000 0.471 93 D N -1.825 118.687 120.400 0.187 0.000 2.983 93 D HA 0.186 4.644 4.640 -0.303 0.000 0.269 93 D C -1.844 174.558 176.300 0.169 0.000 1.121 93 D CA -0.537 53.549 54.000 0.143 0.000 0.724 93 D CB 0.710 41.571 40.800 0.101 0.000 1.381 93 D HN -0.081 nan 8.370 nan 0.000 0.442 94 D N 1.196 121.673 120.400 0.129 0.000 2.373 94 D HA 0.413 4.871 4.640 -0.303 0.000 0.227 94 D C 0.571 176.936 176.300 0.108 0.000 1.091 94 D CA -0.125 53.970 54.000 0.159 0.000 0.840 94 D CB 1.517 42.406 40.800 0.149 0.000 1.060 94 D HN 0.303 nan 8.370 nan 0.000 0.502 95 V N 1.322 121.299 119.914 0.105 0.000 3.537 95 V HA 0.263 4.201 4.120 -0.303 0.000 0.315 95 V C 0.178 176.409 176.094 0.228 0.000 1.541 95 V CA -0.710 61.631 62.300 0.068 0.000 1.160 95 V CB -0.722 31.020 31.823 -0.135 0.000 0.998 95 V HN 0.220 nan 8.190 nan 0.000 0.473 96 F N 2.621 122.631 119.950 0.101 0.000 2.450 96 F HA 0.546 4.892 4.527 -0.303 0.000 0.339 96 F C 0.765 176.593 175.800 0.047 0.000 1.146 96 F CA -0.596 57.488 58.000 0.140 0.000 1.267 96 F CB 0.905 40.056 39.000 0.252 0.000 1.178 96 F HN 0.114 nan 8.300 nan 0.000 0.585 97 N N 3.602 121.781 118.700 -0.868 0.000 3.250 97 N HA -0.012 4.547 4.740 -0.303 0.000 0.307 97 N C 1.100 176.022 175.510 -0.980 0.000 1.355 97 N CA 0.204 52.590 53.050 -1.106 0.000 1.192 97 N CB -0.648 36.899 38.487 -1.566 0.000 1.478 97 N HN 0.840 nan 8.380 nan 0.000 0.543 98 E N 0.100 119.792 120.200 -0.847 0.000 2.267 98 E HA -0.218 3.950 4.350 -0.303 0.000 0.197 98 E C 1.484 177.958 176.600 -0.210 0.000 0.998 98 E CA 0.922 57.061 56.400 -0.434 0.000 0.830 98 E CB 0.340 29.952 29.700 -0.147 0.000 0.751 98 E HN 0.405 nan 8.360 nan 0.000 0.491 99 R N -0.841 119.509 120.500 -0.249 0.000 2.051 99 R HA -0.017 4.141 4.340 -0.303 0.000 0.225 99 R C 2.451 178.671 176.300 -0.134 0.000 1.155 99 R CA 1.357 57.372 56.100 -0.141 0.000 0.945 99 R CB -0.532 29.686 30.300 -0.137 0.000 0.840 99 R HN 0.212 nan 8.270 nan 0.000 0.432 100 G N -0.951 107.646 108.800 -0.338 0.000 2.432 100 G HA2 -0.253 3.525 3.960 -0.303 0.000 0.219 100 G HA3 -0.253 3.525 3.960 -0.303 0.000 0.219 100 G C 0.894 175.700 174.900 -0.157 0.000 1.135 100 G CA 0.457 45.360 45.100 -0.329 0.000 0.767 100 G HN 0.412 nan 8.290 nan 0.000 0.550 101 W N 0.767 121.921 121.300 -0.243 0.000 2.518 101 W HA 0.135 4.613 4.660 -0.303 0.000 0.273 101 W C 2.387 178.928 176.519 0.037 0.000 1.247 101 W CA 0.329 57.635 57.345 -0.065 0.000 1.288 101 W CB 0.100 29.448 29.460 -0.188 0.000 1.107 101 W HN 0.197 nan 8.180 nan 0.000 0.586 102 N N -0.949 117.878 118.700 0.211 0.000 2.457 102 N HA -0.175 4.384 4.740 -0.303 0.000 0.180 102 N C 1.265 176.884 175.510 0.181 0.000 1.050 102 N CA 0.571 53.724 53.050 0.171 0.000 0.906 102 N CB -0.226 38.320 38.487 0.097 0.000 0.968 102 N HN 0.187 nan 8.380 nan 0.000 0.445 103 Y N 2.147 122.494 120.300 0.079 0.000 2.060 103 Y HA -0.190 4.178 4.550 -0.303 0.000 0.276 103 Y C 2.074 178.056 175.900 0.137 0.000 1.127 103 Y CA 1.407 59.557 58.100 0.084 0.000 1.104 103 Y CB -0.370 38.143 38.460 0.088 0.000 0.983 103 Y HN -0.148 nan 8.280 nan 0.000 0.483 104 I N -0.035 120.773 120.570 0.396 0.000 2.367 104 I HA -0.308 3.681 4.170 -0.303 0.000 0.256 104 I C 2.146 178.420 176.117 0.261 0.000 1.132 104 I CA 1.365 62.868 61.300 0.338 0.000 1.397 104 I CB -0.918 37.215 38.000 0.222 0.000 1.074 104 I HN 0.399 nan 8.210 nan 0.000 0.435 105 L N -0.013 121.331 121.223 0.201 0.000 2.145 105 L HA 0.016 4.174 4.340 -0.303 0.000 0.201 105 L C 2.279 179.171 176.870 0.036 0.000 1.075 105 L CA 1.520 56.441 54.840 0.136 0.000 0.773 105 L CB -0.663 41.482 42.059 0.143 0.000 0.936 105 L HN 0.238 nan 8.230 nan 0.000 0.451 106 E N -1.182 119.013 120.200 -0.008 0.000 2.358 106 E HA -0.141 4.028 4.350 -0.303 0.000 0.195 106 E C 1.785 178.266 176.600 -0.199 0.000 1.010 106 E CA 0.481 56.831 56.400 -0.084 0.000 0.856 106 E CB 0.200 29.857 29.700 -0.072 0.000 0.795 106 E HN 0.163 nan 8.360 nan 0.000 0.504 107 K N -0.737 119.494 120.400 -0.281 0.000 2.262 107 K HA 0.044 4.182 4.320 -0.303 0.000 0.200 107 K C 0.232 176.466 176.600 -0.610 0.000 1.058 107 K CA 0.701 56.657 56.287 -0.551 0.000 0.974 107 K CB 0.410 32.347 32.500 -0.937 0.000 0.910 107 K HN 0.168 nan 8.250 nan 0.000 0.484 108 Y N 0.816 121.040 120.300 -0.126 0.000 2.706 108 Y HA 0.194 4.562 4.550 -0.303 0.000 0.255 108 Y C -0.529 175.290 175.900 -0.134 0.000 1.163 108 Y CA -0.946 57.095 58.100 -0.098 0.000 1.174 108 Y CB 0.506 38.952 38.460 -0.025 0.000 1.200 108 Y HN 0.084 nan 8.280 nan 0.000 0.544 109 D N 1.265 121.653 120.400 -0.020 0.000 2.737 109 D HA -0.171 4.287 4.640 -0.303 0.000 0.238 109 D C 1.180 177.498 176.300 0.029 0.000 1.157 109 D CA 1.313 55.282 54.000 -0.052 0.000 0.694 109 D CB -1.062 39.640 40.800 -0.164 0.000 1.021 109 D HN 0.752 nan 8.370 nan 0.000 0.420 110 G N 0.977 109.862 108.800 0.141 0.000 2.283 110 G HA2 -0.345 3.433 3.960 -0.303 0.000 0.280 110 G HA3 -0.345 3.433 3.960 -0.303 0.000 0.280 110 G C 0.117 175.226 174.900 0.348 0.000 1.029 110 G CA 0.591 45.829 45.100 0.229 0.000 0.840 110 G HN 0.763 nan 8.290 nan 0.000 0.505 111 H N -0.689 118.464 119.070 0.138 0.000 2.597 111 H HA 0.338 4.713 4.556 -0.303 0.000 0.303 111 H C 0.919 176.264 175.328 0.028 0.000 1.057 111 H CA -1.131 54.969 56.048 0.086 0.000 1.261 111 H CB 0.895 30.685 29.762 0.047 0.000 1.397 111 H HN 0.141 nan 8.280 nan 0.000 0.461 112 L N 6.880 128.197 121.223 0.158 0.000 2.601 112 L HA -0.018 4.141 4.340 -0.303 0.000 0.277 112 L C -2.029 174.794 176.870 -0.079 0.000 1.219 112 L CA -0.960 53.935 54.840 0.091 0.000 0.915 112 L CB 0.385 42.587 42.059 0.237 0.000 1.160 112 L HN 0.442 nan 8.230 nan 0.000 0.494 113 P HA 0.435 nan 4.420 nan 0.000 0.301 113 P C -1.154 176.005 177.300 -0.235 0.000 1.385 113 P CA -0.334 62.558 63.100 -0.346 0.000 0.902 113 P CB 1.042 32.355 31.700 -0.644 0.000 0.965 114 I N -1.060 119.415 120.570 -0.158 0.000 2.947 114 I HA 0.546 4.535 4.170 -0.303 0.000 0.301 114 I C -1.357 174.761 176.117 0.001 0.000 1.453 114 I CA -1.255 60.031 61.300 -0.023 0.000 0.984 114 I CB 2.975 41.053 38.000 0.130 0.000 1.333 114 I HN 0.133 nan 8.210 nan 0.000 0.475 115 E N 3.145 123.380 120.200 0.060 0.000 2.165 115 E HA 0.668 4.836 4.350 -0.303 0.000 0.266 115 E C -1.850 174.837 176.600 0.145 0.000 0.889 115 E CA -0.743 55.704 56.400 0.078 0.000 0.756 115 E CB 2.298 32.030 29.700 0.053 0.000 1.131 115 E HN 0.567 nan 8.360 nan 0.000 0.411 116 V N 4.927 124.961 119.914 0.199 0.000 2.444 116 V HA 0.394 4.332 4.120 -0.303 0.000 0.294 116 V C -0.174 176.004 176.094 0.140 0.000 1.022 116 V CA -0.918 61.473 62.300 0.151 0.000 0.850 116 V CB 1.495 33.373 31.823 0.091 0.000 0.992 116 V HN 0.609 nan 8.190 nan 0.000 0.426 117 K N 2.845 123.322 120.400 0.129 0.000 2.118 117 K HA 0.923 5.062 4.320 -0.303 0.000 0.254 117 K C -0.180 176.504 176.600 0.140 0.000 0.961 117 K CA -0.414 55.956 56.287 0.138 0.000 0.876 117 K CB 2.470 35.042 32.500 0.121 0.000 1.077 117 K HN 0.847 nan 8.250 nan 0.000 0.440 118 A N 1.077 123.978 122.820 0.135 0.000 2.535 118 A HA 0.681 4.820 4.320 -0.303 0.000 0.296 118 A C -1.162 176.422 177.584 -0.000 0.000 1.248 118 A CA -0.676 51.417 52.037 0.094 0.000 0.686 118 A CB 0.904 20.064 19.000 0.268 0.000 1.315 118 A HN 0.342 nan 8.150 nan 0.000 0.460 119 V N -1.338 118.525 119.914 -0.085 0.000 2.850 119 V HA 0.540 4.478 4.120 -0.303 0.000 0.315 119 V C -2.693 173.447 176.094 0.077 0.000 1.064 119 V CA -2.505 59.739 62.300 -0.093 0.000 0.979 119 V CB 1.015 32.718 31.823 -0.200 0.000 1.039 119 V HN 0.648 nan 8.190 nan 0.000 0.452 120 P HA 0.016 nan 4.420 nan 0.000 0.256 120 P C 0.035 177.116 177.300 -0.365 0.000 1.173 120 P CA 0.386 63.297 63.100 -0.315 0.000 0.768 120 P CB 0.103 31.746 31.700 -0.096 0.000 0.758 121 E N 2.742 122.524 120.200 -0.696 0.000 2.608 121 E HA -0.010 4.158 4.350 -0.303 0.000 0.259 121 E C 1.525 177.981 176.600 -0.241 0.000 0.951 121 E CA 1.758 57.966 56.400 -0.321 0.000 0.945 121 E CB -0.035 29.558 29.700 -0.177 0.000 0.916 121 E HN 0.804 nan 8.360 nan 0.000 0.477 122 G N 2.889 111.617 108.800 -0.120 0.000 2.232 122 G HA2 -0.273 3.506 3.960 -0.303 0.000 0.226 122 G HA3 -0.273 3.506 3.960 -0.303 0.000 0.226 122 G C 0.484 175.338 174.900 -0.077 0.000 0.996 122 G CA 0.145 45.154 45.100 -0.152 0.000 0.626 122 G HN 0.482 nan 8.290 nan 0.000 0.509 123 S N 0.213 115.905 115.700 -0.014 0.000 2.546 123 S HA 0.360 4.648 4.470 -0.303 0.000 0.290 123 S C 0.639 175.239 174.600 -0.001 0.000 1.290 123 S CA 0.271 58.471 58.200 -0.000 0.000 1.069 123 S CB 1.331 64.531 63.200 0.000 0.000 0.846 123 S HN 0.793 nan 8.310 nan 0.000 0.495 124 V N 6.318 126.216 119.914 -0.026 0.000 2.288 124 V HA 0.347 4.285 4.120 -0.303 0.000 0.266 124 V C -0.344 175.685 176.094 -0.108 0.000 1.048 124 V CA -0.420 61.866 62.300 -0.025 0.000 0.842 124 V CB 0.074 31.903 31.823 0.009 0.000 1.064 124 V HN 0.605 nan 8.190 nan 0.000 0.472 125 I N 8.281 128.737 120.570 -0.190 0.000 2.474 125 I HA 0.518 4.506 4.170 -0.303 0.000 0.294 125 I C -1.918 174.114 176.117 -0.142 0.000 1.005 125 I CA -2.255 58.813 61.300 -0.386 0.000 1.113 125 I CB 2.137 39.809 38.000 -0.546 0.000 1.289 125 I HN 0.361 nan 8.210 nan 0.000 0.436 126 P HA 0.074 nan 4.420 nan 0.000 0.272 126 P C -0.649 176.652 177.300 0.002 0.000 1.248 126 P CA -0.292 62.826 63.100 0.030 0.000 0.799 126 P CB 0.528 32.289 31.700 0.101 0.000 0.997 127 R N -0.805 119.709 120.500 0.024 0.000 2.457 127 R HA 0.480 4.638 4.340 -0.303 0.000 0.284 127 R C 1.067 177.371 176.300 0.006 0.000 1.024 127 R CA 0.351 56.457 56.100 0.010 0.000 1.025 127 R CB 0.287 30.602 30.300 0.025 0.000 1.063 127 R HN 0.869 nan 8.270 nan 0.000 0.493 128 G N 1.314 110.107 108.800 -0.011 0.000 2.159 128 G HA2 -0.215 3.563 3.960 -0.303 0.000 0.227 128 G HA3 -0.215 3.563 3.960 -0.303 0.000 0.227 128 G C -0.272 174.626 174.900 -0.003 0.000 0.986 128 G CA -0.551 44.548 45.100 -0.002 0.000 0.651 128 G HN 0.583 nan 8.290 nan 0.000 0.523 129 N N -0.480 118.205 118.700 -0.025 0.000 2.443 129 N HA 0.504 5.062 4.740 -0.303 0.000 0.293 129 N C -0.065 175.417 175.510 -0.045 0.000 1.159 129 N CA -0.364 52.664 53.050 -0.037 0.000 0.904 129 N CB 2.408 40.856 38.487 -0.065 0.000 1.214 129 N HN 0.147 nan 8.380 nan 0.000 0.513 130 V N 2.307 122.198 119.914 -0.038 0.000 2.555 130 V HA 0.108 4.046 4.120 -0.303 0.000 0.286 130 V C 1.007 177.037 176.094 -0.108 0.000 1.044 130 V CA 0.323 62.619 62.300 -0.007 0.000 1.026 130 V CB 0.086 31.911 31.823 0.003 0.000 0.981 130 V HN 0.545 nan 8.190 nan 0.000 0.480 131 L N 6.445 127.584 121.223 -0.141 0.000 2.388 131 L HA 0.394 4.552 4.340 -0.303 0.000 0.209 131 L C 0.137 176.829 176.870 -0.297 0.000 1.061 131 L CA 0.346 55.002 54.840 -0.307 0.000 0.834 131 L CB 0.183 42.111 42.059 -0.219 0.000 1.029 131 L HN 0.747 nan 8.230 nan 0.000 0.473 132 F N -1.422 118.446 119.950 -0.137 0.000 2.713 132 F HA 0.648 4.992 4.527 -0.304 0.000 0.311 132 F C -0.731 175.045 175.800 -0.040 0.000 1.141 132 F CA -1.171 56.762 58.000 -0.112 0.000 0.939 132 F CB 1.047 39.984 39.000 -0.105 0.000 1.325 132 F HN -0.163 nan 8.300 nan 0.000 0.453 133 T N -0.477 114.288 114.554 0.352 0.000 2.883 133 T HA 0.854 5.022 4.350 -0.303 0.000 0.296 133 T C -1.915 172.857 174.700 0.120 0.000 1.117 133 T CA -0.815 61.323 62.100 0.065 0.000 1.006 133 T CB 1.646 70.383 68.868 -0.217 0.000 1.191 133 T HN 1.083 nan 8.240 nan 0.000 0.508 134 V N 2.219 122.113 119.914 -0.033 0.000 2.711 134 V HA 0.648 4.587 4.120 -0.303 0.000 0.304 134 V C -0.888 175.218 176.094 0.019 0.000 1.097 134 V CA -0.731 61.622 62.300 0.088 0.000 0.906 134 V CB 1.580 33.579 31.823 0.294 0.000 1.015 134 V HN 1.147 nan 8.190 nan 0.000 0.427 135 E N 4.380 124.622 120.200 0.071 0.000 2.292 135 E HA 0.405 4.574 4.350 -0.303 0.000 0.272 135 E C -0.571 176.083 176.600 0.089 0.000 0.881 135 E CA -0.811 55.670 56.400 0.135 0.000 0.754 135 E CB 2.121 31.982 29.700 0.268 0.000 1.201 135 E HN 0.835 nan 8.360 nan 0.000 0.425 136 N N 1.518 120.245 118.700 0.045 0.000 2.207 136 N HA -0.109 4.449 4.740 -0.303 0.000 0.220 136 N C 0.587 176.068 175.510 -0.048 0.000 1.303 136 N CA 0.457 53.469 53.050 -0.063 0.000 0.875 136 N CB 0.474 38.876 38.487 -0.141 0.000 1.094 136 N HN 0.628 nan 8.380 nan 0.000 0.435 137 T N -3.540 110.940 114.554 -0.122 0.000 3.010 137 T HA -0.033 4.135 4.350 -0.303 0.000 0.252 137 T C 0.162 174.822 174.700 -0.067 0.000 1.047 137 T CA 0.597 62.633 62.100 -0.107 0.000 1.140 137 T CB -0.121 68.623 68.868 -0.207 0.000 0.885 137 T HN 0.770 nan 8.240 nan 0.000 0.464 138 D N 1.122 121.467 120.400 -0.091 0.000 2.738 138 D HA 0.388 4.846 4.640 -0.303 0.000 0.237 138 D C -2.426 173.856 176.300 -0.029 0.000 1.123 138 D CA -2.716 51.279 54.000 -0.007 0.000 0.856 138 D CB 2.086 42.944 40.800 0.096 0.000 1.552 138 D HN -0.248 nan 8.370 nan 0.000 0.480 139 P HA -0.206 nan 4.420 nan 0.000 0.219 139 P C 0.788 178.123 177.300 0.057 0.000 1.147 139 P CA 1.214 64.337 63.100 0.038 0.000 0.821 139 P CB 0.380 32.106 31.700 0.043 0.000 0.771 140 E N -1.237 118.925 120.200 -0.063 0.000 2.021 140 E HA -0.062 4.106 4.350 -0.303 0.000 0.189 140 E C 1.368 177.812 176.600 -0.259 0.000 0.980 140 E CA 0.966 57.256 56.400 -0.184 0.000 0.803 140 E CB -1.035 28.255 29.700 -0.683 0.000 0.766 140 E HN 0.235 nan 8.360 nan 0.000 0.449 141 C N 3.016 122.003 119.300 -0.521 0.000 2.340 141 C HA 0.040 4.318 4.460 -0.303 0.000 0.375 141 C C 1.967 176.264 174.990 -1.154 0.000 1.306 141 C CA -0.737 57.560 59.018 -1.202 0.000 1.622 141 C CB -2.814 24.329 27.740 -0.994 0.000 1.719 141 C HN 0.408 nan 8.230 nan 0.000 0.592 142 Y N 0.383 120.377 120.300 -0.510 0.000 2.193 142 Y HA -0.220 4.149 4.550 -0.303 0.000 0.285 142 Y C 2.205 177.919 175.900 -0.309 0.000 1.166 142 Y CA 1.425 59.337 58.100 -0.314 0.000 1.181 142 Y CB -1.223 37.129 38.460 -0.180 0.000 0.976 142 Y HN 0.624 nan 8.280 nan 0.000 0.520 143 W N 0.757 121.548 121.300 -0.849 0.000 2.425 143 W HA -0.080 4.398 4.660 -0.303 0.000 0.277 143 W C 1.871 178.385 176.519 -0.009 0.000 1.231 143 W CA 0.511 57.684 57.345 -0.287 0.000 1.248 143 W CB -1.283 27.976 29.460 -0.335 0.000 1.117 143 W HN 0.239 nan 8.180 nan 0.000 0.568 144 L N 1.640 122.419 121.223 -0.741 0.000 2.012 144 L HA -0.227 3.931 4.340 -0.303 0.000 0.210 144 L C 2.544 179.424 176.870 0.015 0.000 1.073 144 L CA 2.599 57.146 54.840 -0.488 0.000 0.748 144 L CB -0.909 40.567 42.059 -0.972 0.000 0.891 144 L HN -0.026 nan 8.230 nan 0.000 0.431 145 T N 0.113 114.667 114.554 0.001 0.000 2.594 145 T HA -0.312 3.856 4.350 -0.303 0.000 0.266 145 T C 1.518 176.409 174.700 0.320 0.000 1.070 145 T CA 2.432 64.637 62.100 0.176 0.000 1.166 145 T CB -0.464 68.516 68.868 0.187 0.000 0.862 145 T HN 0.387 nan 8.240 nan 0.000 0.436 146 N N -0.154 118.760 118.700 0.357 0.000 2.171 146 N HA -0.042 4.516 4.740 -0.303 0.000 0.184 146 N C 1.435 177.115 175.510 0.283 0.000 1.021 146 N CA 0.804 54.058 53.050 0.340 0.000 0.854 146 N CB -0.338 38.391 38.487 0.405 0.000 0.994 146 N HN 0.475 nan 8.380 nan 0.000 0.426 147 W N 2.523 123.961 121.300 0.231 0.000 2.257 147 W HA -0.255 4.224 4.660 -0.303 0.000 0.325 147 W C 1.093 177.707 176.519 0.158 0.000 1.296 147 W CA 1.588 59.079 57.345 0.243 0.000 1.297 147 W CB -0.568 29.117 29.460 0.374 0.000 1.131 147 W HN 0.154 nan 8.180 nan 0.000 0.492 148 I N -1.086 119.752 120.570 0.447 0.000 3.749 148 I HA 0.061 4.049 4.170 -0.303 0.000 0.314 148 I C 1.892 178.017 176.117 0.014 0.000 1.267 148 I CA 0.802 62.270 61.300 0.281 0.000 1.169 148 I CB -0.667 37.506 38.000 0.288 0.000 1.009 148 I HN -0.030 nan 8.210 nan 0.000 0.444 149 E N 2.213 122.310 120.200 -0.171 0.000 2.209 149 E HA -0.206 3.963 4.350 -0.303 0.000 0.196 149 E C 1.699 178.083 176.600 -0.360 0.000 0.993 149 E CA 2.153 58.125 56.400 -0.714 0.000 0.819 149 E CB 0.105 29.326 29.700 -0.798 0.000 0.745 149 E HN 0.740 nan 8.360 nan 0.000 0.477 150 T N 0.620 115.086 114.554 -0.148 0.000 2.623 150 T HA -0.170 3.998 4.350 -0.303 0.000 0.254 150 T C 1.978 176.668 174.700 -0.016 0.000 1.075 150 T CA 0.912 62.980 62.100 -0.054 0.000 1.177 150 T CB -0.718 68.122 68.868 -0.046 0.000 0.869 150 T HN 0.137 nan 8.240 nan 0.000 0.403 151 I N 1.885 122.447 120.570 -0.013 0.000 2.121 151 I HA -0.199 3.790 4.170 -0.303 0.000 0.243 151 I C 2.169 178.255 176.117 -0.053 0.000 1.047 151 I CA 1.524 62.791 61.300 -0.056 0.000 1.308 151 I CB -0.522 37.471 38.000 -0.012 0.000 1.015 151 I HN 0.275 nan 8.210 nan 0.000 0.410 152 L N -0.849 120.367 121.223 -0.011 0.000 2.456 152 L HA -0.112 4.046 4.340 -0.303 0.000 0.224 152 L C 2.020 178.992 176.870 0.169 0.000 1.148 152 L CA 0.254 55.113 54.840 0.032 0.000 0.825 152 L CB -0.435 41.693 42.059 0.114 0.000 0.937 152 L HN 0.166 nan 8.230 nan 0.000 0.450 153 V N -1.123 118.894 119.914 0.171 0.000 3.471 153 V HA -0.070 3.869 4.120 -0.303 0.000 0.258 153 V C 1.756 178.093 176.094 0.405 0.000 1.192 153 V CA 0.497 62.999 62.300 0.337 0.000 1.116 153 V CB 0.073 32.090 31.823 0.324 0.000 0.792 153 V HN 0.458 nan 8.190 nan 0.000 0.459 154 Q N 0.679 120.615 119.800 0.228 0.000 2.476 154 Q HA -0.064 4.095 4.340 -0.303 0.000 0.215 154 Q C 1.931 177.865 176.000 -0.111 0.000 0.966 154 Q CA 0.962 56.856 55.803 0.153 0.000 0.976 154 Q CB -0.207 28.545 28.738 0.024 0.000 0.988 154 Q HN 0.755 nan 8.270 nan 0.000 0.526 155 S N -0.351 115.345 115.700 -0.007 0.000 2.486 155 S HA -0.072 4.216 4.470 -0.303 0.000 0.220 155 S C 1.615 176.165 174.600 -0.084 0.000 1.011 155 S CA -0.417 57.719 58.200 -0.105 0.000 0.921 155 S CB -0.500 62.648 63.200 -0.086 0.000 0.785 155 S HN 0.717 nan 8.310 nan 0.000 0.517 156 W N 0.996 122.419 121.300 0.205 0.000 2.313 156 W HA -0.272 4.204 4.660 -0.307 0.000 0.293 156 W C 1.692 178.327 176.519 0.193 0.000 1.216 156 W CA 0.946 58.456 57.345 0.276 0.000 1.223 156 W CB -1.246 28.378 29.460 0.273 0.000 1.138 156 W HN 0.394 nan 8.180 nan 0.000 0.535 157 Y N 3.486 123.029 120.300 -1.262 0.000 2.092 157 Y HA -0.057 4.312 4.550 -0.302 0.000 0.282 157 Y C -0.160 175.448 175.900 -0.488 0.000 1.126 157 Y CA 1.854 59.212 58.100 -1.238 0.000 1.111 157 Y CB -1.915 35.713 38.460 -1.387 0.000 0.987 157 Y HN -0.249 nan 8.280 nan 0.000 0.489 158 P HA -0.231 nan 4.420 nan 0.000 0.217 158 P C 1.701 178.875 177.300 -0.210 0.000 1.148 158 P CA 2.321 65.177 63.100 -0.406 0.000 0.834 158 P CB -0.152 31.274 31.700 -0.457 0.000 0.783 159 I N -1.431 119.055 120.570 -0.141 0.000 2.163 159 I HA -0.212 3.776 4.170 -0.303 0.000 0.240 159 I C 1.985 178.104 176.117 0.003 0.000 1.081 159 I CA 1.705 63.014 61.300 0.015 0.000 1.353 159 I CB -0.959 37.137 38.000 0.161 0.000 1.054 159 I HN -0.016 nan 8.210 nan 0.000 0.407 160 T N 0.138 114.679 114.554 -0.021 0.000 2.857 160 T HA -0.081 4.087 4.350 -0.303 0.000 0.266 160 T C 1.978 176.614 174.700 -0.107 0.000 1.048 160 T CA 0.928 63.011 62.100 -0.029 0.000 1.139 160 T CB -0.228 68.696 68.868 0.093 0.000 0.874 160 T HN 0.086 nan 8.240 nan 0.000 0.455 161 V N 1.810 121.582 119.914 -0.237 0.000 2.343 161 V HA -0.150 3.788 4.120 -0.303 0.000 0.247 161 V C 2.932 178.977 176.094 -0.083 0.000 1.051 161 V CA 1.688 63.856 62.300 -0.220 0.000 1.036 161 V CB -1.215 30.361 31.823 -0.412 0.000 0.654 161 V HN 0.529 nan 8.190 nan 0.000 0.451 162 A N -0.226 122.550 122.820 -0.074 0.000 1.877 162 A HA -0.212 3.927 4.320 -0.303 0.000 0.216 162 A C 2.406 179.985 177.584 -0.009 0.000 1.186 162 A CA 2.522 54.533 52.037 -0.042 0.000 0.620 162 A CB -0.971 18.012 19.000 -0.030 0.000 0.822 162 A HN 0.503 nan 8.150 nan 0.000 0.443 163 T N 0.208 114.766 114.554 0.007 0.000 2.643 163 T HA -0.162 4.006 4.350 -0.303 0.000 0.264 163 T C 2.022 176.788 174.700 0.110 0.000 1.045 163 T CA 1.261 63.392 62.100 0.052 0.000 1.155 163 T CB -0.482 68.412 68.868 0.044 0.000 0.863 163 T HN 0.606 nan 8.240 nan 0.000 0.420 164 N N 0.587 119.328 118.700 0.069 0.000 2.036 164 N HA -0.151 4.408 4.740 -0.303 0.000 0.195 164 N C 2.191 177.805 175.510 0.173 0.000 1.037 164 N CA 1.670 54.824 53.050 0.174 0.000 0.855 164 N CB -0.308 38.214 38.487 0.058 0.000 1.033 164 N HN 0.203 nan 8.380 nan 0.000 0.423 165 S N 0.665 116.443 115.700 0.130 0.000 2.359 165 S HA -0.191 4.097 4.470 -0.303 0.000 0.223 165 S C 1.992 176.742 174.600 0.250 0.000 1.039 165 S CA 1.467 59.782 58.200 0.191 0.000 1.042 165 S CB -0.266 63.057 63.200 0.205 0.000 0.915 165 S HN 0.411 nan 8.310 nan 0.000 0.439 166 R N 0.744 121.327 120.500 0.138 0.000 2.083 166 R HA -0.106 4.053 4.340 -0.303 0.000 0.237 166 R C 2.190 178.543 176.300 0.087 0.000 1.137 166 R CA 1.693 57.832 56.100 0.064 0.000 0.951 166 R CB -0.248 30.050 30.300 -0.004 0.000 0.851 166 R HN 0.323 nan 8.270 nan 0.000 0.434 167 E N 0.943 121.213 120.200 0.118 0.000 2.007 167 E HA -0.281 3.887 4.350 -0.303 0.000 0.203 167 E C 1.969 178.624 176.600 0.091 0.000 1.020 167 E CA 1.700 58.154 56.400 0.090 0.000 0.845 167 E CB -0.660 29.101 29.700 0.101 0.000 0.779 167 E HN 0.464 nan 8.360 nan 0.000 0.466 168 Q N 0.378 120.242 119.800 0.107 0.000 2.318 168 Q HA -0.277 3.882 4.340 -0.303 0.000 0.216 168 Q C 2.162 178.265 176.000 0.173 0.000 1.004 168 Q CA 2.155 58.009 55.803 0.086 0.000 0.932 168 Q CB -0.245 28.522 28.738 0.049 0.000 0.946 168 Q HN 0.154 nan 8.270 nan 0.000 0.419 169 K N 0.649 121.220 120.400 0.284 0.000 2.097 169 K HA -0.151 3.987 4.320 -0.303 0.000 0.205 169 K C 1.708 178.350 176.600 0.069 0.000 1.050 169 K CA 1.172 57.601 56.287 0.236 0.000 0.938 169 K CB 0.132 32.546 32.500 -0.143 0.000 0.718 169 K HN 0.093 nan 8.250 nan 0.000 0.442 170 K N 0.181 120.605 120.400 0.040 0.000 2.097 170 K HA -0.118 4.020 4.320 -0.303 0.000 0.205 170 K C 1.965 178.598 176.600 0.055 0.000 1.050 170 K CA 1.266 57.565 56.287 0.021 0.000 0.938 170 K CB -0.118 32.389 32.500 0.011 0.000 0.718 170 K HN 0.060 nan 8.250 nan 0.000 0.442 171 I N 1.213 121.824 120.570 0.068 0.000 2.286 171 I HA -0.230 3.758 4.170 -0.303 0.000 0.248 171 I C 2.045 178.256 176.117 0.157 0.000 1.115 171 I CA 1.318 62.679 61.300 0.103 0.000 1.392 171 I CB -0.271 37.738 38.000 0.016 0.000 1.065 171 I HN 0.071 nan 8.210 nan 0.000 0.418 172 L N -0.284 121.006 121.223 0.112 0.000 2.131 172 L HA -0.085 4.073 4.340 -0.303 0.000 0.206 172 L C 2.689 179.645 176.870 0.143 0.000 1.087 172 L CA 1.079 56.004 54.840 0.142 0.000 0.767 172 L CB -0.668 41.500 42.059 0.183 0.000 0.917 172 L HN 0.225 nan 8.230 nan 0.000 0.441 173 A N 0.237 123.112 122.820 0.092 0.000 1.877 173 A HA -0.268 3.871 4.320 -0.303 0.000 0.216 173 A C 2.395 179.997 177.584 0.030 0.000 1.186 173 A CA 2.044 54.106 52.037 0.042 0.000 0.620 173 A CB -0.480 18.518 19.000 -0.003 0.000 0.822 173 A HN 0.319 nan 8.150 nan 0.000 0.443 174 K N -1.882 118.538 120.400 0.033 0.000 2.097 174 K HA -0.165 3.973 4.320 -0.303 0.000 0.206 174 K C 1.668 178.181 176.600 -0.146 0.000 1.049 174 K CA 1.635 57.889 56.287 -0.055 0.000 0.933 174 K CB -0.273 32.189 32.500 -0.064 0.000 0.717 174 K HN 0.548 nan 8.250 nan 0.000 0.442 175 Y N 0.642 120.926 120.300 -0.027 0.000 2.475 175 Y HA -0.000 4.424 4.550 -0.210 0.000 0.289 175 Y C 1.985 177.848 175.900 -0.062 0.000 1.121 175 Y CA 0.432 58.503 58.100 -0.048 0.000 1.257 175 Y CB 0.151 38.594 38.460 -0.027 0.000 1.026 175 Y HN 0.003 nan 8.280 nan 0.000 0.555 176 L N -1.044 120.237 121.223 0.098 0.000 1.993 176 L HA -0.209 3.950 4.340 -0.303 0.000 0.206 176 L C 2.322 179.189 176.870 -0.006 0.000 1.074 176 L CA 0.991 55.863 54.840 0.054 0.000 0.746 176 L CB -0.613 41.488 42.059 0.071 0.000 0.896 176 L HN 0.238 nan 8.230 nan 0.000 0.435 177 L N 0.403 121.617 121.223 -0.014 0.000 2.051 177 L HA -0.306 3.852 4.340 -0.303 0.000 0.214 177 L C 2.402 179.241 176.870 -0.052 0.000 1.076 177 L CA 2.132 56.954 54.840 -0.029 0.000 0.758 177 L CB -0.644 41.394 42.059 -0.035 0.000 0.890 177 L HN 0.342 nan 8.230 nan 0.000 0.433 178 E N -2.021 118.116 120.200 -0.104 0.000 2.152 178 E HA -0.165 4.003 4.350 -0.303 0.000 0.192 178 E C 1.470 177.975 176.600 -0.158 0.000 0.983 178 E CA 1.417 57.739 56.400 -0.131 0.000 0.818 178 E CB 0.066 29.626 29.700 -0.232 0.000 0.758 178 E HN 0.542 nan 8.360 nan 0.000 0.467 179 T N -1.169 113.240 114.554 -0.241 0.000 3.014 179 T HA 0.010 4.179 4.350 -0.303 0.000 0.250 179 T C 1.470 176.122 174.700 -0.080 0.000 1.060 179 T CA 0.768 62.606 62.100 -0.436 0.000 1.040 179 T CB 0.319 68.827 68.868 -0.600 0.000 0.971 179 T HN 0.139 nan 8.240 nan 0.000 0.497 180 S N -0.606 115.084 115.700 -0.018 0.000 2.593 180 S HA 0.445 4.733 4.470 -0.303 0.000 0.235 180 S C 1.730 176.352 174.600 0.035 0.000 1.059 180 S CA 1.017 59.237 58.200 0.034 0.000 0.953 180 S CB 0.406 63.625 63.200 0.031 0.000 0.897 180 S HN 0.532 nan 8.310 nan 0.000 0.507 181 G N 1.887 110.699 108.800 0.020 0.000 2.254 181 G HA2 -0.200 3.578 3.960 -0.303 0.000 0.225 181 G HA3 -0.200 3.578 3.960 -0.303 0.000 0.225 181 G C -0.103 174.802 174.900 0.008 0.000 1.003 181 G CA 0.112 45.222 45.100 0.018 0.000 0.622 181 G HN 0.985 nan 8.290 nan 0.000 0.507 182 N N -1.183 117.523 118.700 0.009 0.000 2.902 182 N HA 0.634 5.192 4.740 -0.303 0.000 0.268 182 N C 0.266 175.782 175.510 0.009 0.000 1.450 182 N CA -1.061 51.992 53.050 0.006 0.000 0.819 182 N CB 0.855 39.348 38.487 0.010 0.000 1.540 182 N HN 0.006 nan 8.380 nan 0.000 0.545 183 L N -0.031 121.196 121.223 0.006 0.000 2.791 183 L HA 0.267 4.425 4.340 -0.303 0.000 0.239 183 L C -0.683 176.201 176.870 0.022 0.000 1.203 183 L CA -0.235 54.610 54.840 0.008 0.000 1.002 183 L CB -0.792 41.259 42.059 -0.013 0.000 1.295 183 L HN 0.453 nan 8.230 nan 0.000 0.504 184 D N 1.606 122.023 120.400 0.029 0.000 2.434 184 D HA 0.284 4.742 4.640 -0.303 0.000 0.252 184 D C 1.277 177.619 176.300 0.070 0.000 1.185 184 D CA 1.296 55.321 54.000 0.042 0.000 0.886 184 D CB 0.877 41.697 40.800 0.033 0.000 1.148 184 D HN 0.371 nan 8.370 nan 0.000 0.483 185 G N 2.026 110.888 108.800 0.103 0.000 2.141 185 G HA2 -0.292 3.486 3.960 -0.303 0.000 0.242 185 G HA3 -0.292 3.486 3.960 -0.303 0.000 0.242 185 G C 0.985 176.003 174.900 0.196 0.000 0.982 185 G CA 0.160 45.363 45.100 0.172 0.000 0.662 185 G HN 0.514 nan 8.290 nan 0.000 0.527 186 L N 0.213 121.506 121.223 0.116 0.000 1.961 186 L HA -0.060 4.098 4.340 -0.303 0.000 0.210 186 L C 2.783 179.707 176.870 0.090 0.000 1.072 186 L CA 2.174 57.070 54.840 0.093 0.000 0.749 186 L CB -0.372 41.673 42.059 -0.024 0.000 0.889 186 L HN 0.313 nan 8.230 nan 0.000 0.432 187 E N -0.413 119.735 120.200 -0.087 0.000 2.352 187 E HA -0.267 3.901 4.350 -0.303 0.000 0.203 187 E C 1.025 177.477 176.600 -0.248 0.000 1.024 187 E CA 1.558 57.788 56.400 -0.284 0.000 0.842 187 E CB -0.337 29.114 29.700 -0.415 0.000 0.753 187 E HN 0.645 nan 8.360 nan 0.000 0.508 188 Y N -0.835 119.612 120.300 0.246 0.000 2.660 188 Y HA 0.240 4.606 4.550 -0.306 0.000 0.254 188 Y C 1.604 177.660 175.900 0.260 0.000 1.176 188 Y CA -0.261 58.003 58.100 0.273 0.000 1.195 188 Y CB 0.669 39.263 38.460 0.223 0.000 1.190 188 Y HN -0.152 nan 8.280 nan 0.000 0.535 189 K N 0.453 121.089 120.400 0.392 0.000 2.404 189 K HA 0.233 4.372 4.320 -0.303 0.000 0.194 189 K C -0.150 176.553 176.600 0.171 0.000 1.023 189 K CA 0.332 56.794 56.287 0.292 0.000 1.094 189 K CB 0.725 33.415 32.500 0.317 0.000 0.841 189 K HN 0.144 nan 8.250 nan 0.000 0.523 190 L N 1.582 122.763 121.223 -0.071 0.000 2.415 190 L HA 0.247 4.406 4.340 -0.303 0.000 0.268 190 L C -1.262 175.512 176.870 -0.160 0.000 0.984 190 L CA -0.578 54.067 54.840 -0.324 0.000 0.853 190 L CB 1.211 42.689 42.059 -0.969 0.000 1.215 190 L HN 0.155 nan 8.230 nan 0.000 0.419 191 H N 3.083 122.026 119.070 -0.212 0.000 2.489 191 H HA 0.147 4.518 4.556 -0.308 0.000 0.322 191 H C -1.055 174.053 175.328 -0.366 0.000 1.091 191 H CA -0.359 55.607 56.048 -0.137 0.000 1.291 191 H CB 1.982 31.742 29.762 -0.004 0.000 1.436 191 H HN 0.570 nan 8.280 nan 0.000 0.480 192 D N 4.017 124.211 120.400 -0.343 0.000 2.343 192 D HA -0.013 4.446 4.640 -0.303 0.000 0.255 192 D C -0.229 176.227 176.300 0.260 0.000 1.187 192 D CA 0.161 53.976 54.000 -0.308 0.000 0.875 192 D CB -0.173 40.384 40.800 -0.405 0.000 1.136 192 D HN 0.480 nan 8.370 nan 0.000 0.469 193 F N 1.931 121.851 119.950 -0.050 0.000 2.735 193 F HA 0.246 4.603 4.527 -0.284 0.000 0.308 193 F C 2.041 177.861 175.800 0.032 0.000 1.112 193 F CA -0.769 57.250 58.000 0.032 0.000 1.235 193 F CB 1.158 40.178 39.000 0.033 0.000 1.027 193 F HN 0.560 nan 8.300 nan 0.000 0.528 194 G N 0.163 109.067 108.800 0.173 0.000 2.432 194 G HA2 -0.296 3.482 3.960 -0.303 0.000 0.219 194 G HA3 -0.296 3.482 3.960 -0.303 0.000 0.219 194 G C 1.361 176.380 174.900 0.199 0.000 1.135 194 G CA 0.429 45.611 45.100 0.136 0.000 0.767 194 G HN 0.469 nan 8.290 nan 0.000 0.550 195 Y N 1.693 122.020 120.300 0.045 0.000 2.185 195 Y HA -0.428 3.939 4.550 -0.305 0.000 0.268 195 Y C 2.823 178.737 175.900 0.023 0.000 1.281 195 Y CA 1.956 60.073 58.100 0.028 0.000 1.101 195 Y CB 0.179 38.650 38.460 0.018 0.000 0.914 195 Y HN 0.381 nan 8.280 nan 0.000 0.517 196 R N -0.317 120.258 120.500 0.124 0.000 2.393 196 R HA 0.193 4.351 4.340 -0.303 0.000 0.244 196 R C 1.385 177.708 176.300 0.040 0.000 0.920 196 R CA 0.687 56.791 56.100 0.007 0.000 1.076 196 R CB 0.055 30.334 30.300 -0.035 0.000 1.119 196 R HN 0.207 nan 8.270 nan 0.000 0.524 197 G N 0.964 109.812 108.800 0.080 0.000 3.159 197 G HA2 0.165 3.944 3.960 -0.303 0.000 0.232 197 G HA3 0.165 3.944 3.960 -0.303 0.000 0.232 197 G C 0.263 175.205 174.900 0.071 0.000 1.116 197 G CA 0.184 45.325 45.100 0.069 0.000 0.767 197 G HN 0.165 nan 8.290 nan 0.000 0.547 198 V N -1.346 118.619 119.914 0.085 0.000 2.644 198 V HA 0.527 4.466 4.120 -0.303 0.000 0.295 198 V C 1.300 177.420 176.094 0.042 0.000 1.053 198 V CA 0.043 62.389 62.300 0.076 0.000 0.987 198 V CB 1.243 33.133 31.823 0.112 0.000 1.006 198 V HN 0.060 nan 8.190 nan 0.000 0.472 199 S N 3.071 118.778 115.700 0.012 0.000 2.389 199 S HA -0.149 4.139 4.470 -0.303 0.000 0.229 199 S C 1.074 175.676 174.600 0.003 0.000 1.048 199 S CA 2.009 60.207 58.200 -0.003 0.000 1.117 199 S CB -0.501 62.680 63.200 -0.032 0.000 1.020 199 S HN 1.388 nan 8.310 nan 0.000 0.430 200 S N -0.934 114.768 115.700 0.005 0.000 2.900 200 S HA 0.467 4.755 4.470 -0.303 0.000 0.320 200 S C 0.483 175.120 174.600 0.061 0.000 1.130 200 S CA -0.877 57.336 58.200 0.022 0.000 0.863 200 S CB 0.910 64.118 63.200 0.013 0.000 1.295 200 S HN 0.044 nan 8.310 nan 0.000 0.596 201 Q N 0.668 120.512 119.800 0.073 0.000 2.062 201 Q HA 0.029 4.188 4.340 -0.303 0.000 0.196 201 Q C 1.917 177.978 176.000 0.102 0.000 0.967 201 Q CA 1.602 57.481 55.803 0.126 0.000 0.832 201 Q CB -0.585 28.217 28.738 0.107 0.000 0.899 201 Q HN 0.913 nan 8.270 nan 0.000 0.442 202 E N -0.309 119.931 120.200 0.067 0.000 2.204 202 E HA -0.129 4.039 4.350 -0.303 0.000 0.195 202 E C 1.513 178.122 176.600 0.014 0.000 0.990 202 E CA 1.099 57.533 56.400 0.056 0.000 0.821 202 E CB 0.299 30.048 29.700 0.081 0.000 0.750 202 E HN 0.195 nan 8.360 nan 0.000 0.477 203 T N 0.003 114.555 114.554 -0.003 0.000 2.701 203 T HA -0.081 4.087 4.350 -0.303 0.000 0.263 203 T C 1.765 176.498 174.700 0.054 0.000 1.040 203 T CA 1.365 63.437 62.100 -0.046 0.000 1.147 203 T CB -0.225 68.579 68.868 -0.108 0.000 0.865 203 T HN 0.330 nan 8.240 nan 0.000 0.426 204 A N 0.964 123.827 122.820 0.071 0.000 2.019 204 A HA 0.118 4.256 4.320 -0.303 0.000 0.219 204 A C 2.428 179.980 177.584 -0.052 0.000 1.164 204 A CA 1.911 53.979 52.037 0.051 0.000 0.644 204 A CB -1.204 17.874 19.000 0.130 0.000 0.805 204 A HN 0.527 nan 8.150 nan 0.000 0.449 205 G N 0.465 109.236 108.800 -0.049 0.000 2.464 205 G HA2 -0.176 3.602 3.960 -0.303 0.000 0.214 205 G HA3 -0.176 3.602 3.960 -0.303 0.000 0.214 205 G C 1.494 176.311 174.900 -0.138 0.000 1.218 205 G CA 1.121 46.161 45.100 -0.099 0.000 0.794 205 G HN 0.467 nan 8.290 nan 0.000 0.542 206 I N 1.513 121.980 120.570 -0.172 0.000 2.151 206 I HA -0.136 3.852 4.170 -0.303 0.000 0.243 206 I C 3.060 179.111 176.117 -0.110 0.000 1.080 206 I CA 1.167 62.309 61.300 -0.262 0.000 1.339 206 I CB -0.645 37.215 38.000 -0.233 0.000 1.039 206 I HN 0.263 nan 8.210 nan 0.000 0.409 207 G N 0.550 109.383 108.800 0.054 0.000 2.453 207 G HA2 -0.231 3.547 3.960 -0.303 0.000 0.215 207 G HA3 -0.231 3.547 3.960 -0.303 0.000 0.215 207 G C 1.900 176.757 174.900 -0.072 0.000 1.201 207 G CA 0.925 45.995 45.100 -0.049 0.000 0.784 207 G HN 0.492 nan 8.290 nan 0.000 0.545 208 A N 1.274 124.059 122.820 -0.058 0.000 1.917 208 A HA -0.144 3.994 4.320 -0.303 0.000 0.219 208 A C 2.751 180.315 177.584 -0.034 0.000 1.182 208 A CA 3.088 55.087 52.037 -0.062 0.000 0.633 208 A CB -1.007 17.920 19.000 -0.122 0.000 0.819 208 A HN 0.961 nan 8.150 nan 0.000 0.448 209 S N -0.055 115.599 115.700 -0.076 0.000 2.419 209 S HA 0.026 4.314 4.470 -0.303 0.000 0.235 209 S C 1.873 176.495 174.600 0.037 0.000 1.019 209 S CA 1.423 59.565 58.200 -0.096 0.000 0.982 209 S CB -0.538 62.582 63.200 -0.133 0.000 0.789 209 S HN 1.009 nan 8.310 nan 0.000 0.490 210 A N 0.542 123.409 122.820 0.079 0.000 2.123 210 A HA 0.048 4.186 4.320 -0.303 0.000 0.214 210 A C 2.095 179.671 177.584 -0.013 0.000 1.152 210 A CA 0.975 53.048 52.037 0.060 0.000 0.728 210 A CB -0.928 18.090 19.000 0.029 0.000 0.814 210 A HN 0.798 nan 8.150 nan 0.000 0.464 211 H N -0.074 118.958 119.070 -0.063 0.000 2.415 211 H HA 0.103 4.474 4.556 -0.309 0.000 0.297 211 H C 1.674 177.023 175.328 0.034 0.000 1.048 211 H CA 1.150 57.185 56.048 -0.023 0.000 1.365 211 H CB 0.050 29.776 29.762 -0.061 0.000 1.421 211 H HN 0.414 nan 8.280 nan 0.000 0.533 212 L N 0.564 121.812 121.223 0.041 0.000 2.265 212 L HA -0.136 4.022 4.340 -0.303 0.000 0.215 212 L C 2.676 179.537 176.870 -0.015 0.000 1.117 212 L CA 0.355 55.226 54.840 0.052 0.000 0.782 212 L CB -0.215 41.929 42.059 0.142 0.000 0.914 212 L HN 0.102 nan 8.230 nan 0.000 0.441 213 V N 0.342 120.181 119.914 -0.125 0.000 2.469 213 V HA -0.275 3.663 4.120 -0.303 0.000 0.251 213 V C 2.000 177.838 176.094 -0.426 0.000 1.064 213 V CA 1.854 63.836 62.300 -0.530 0.000 1.066 213 V CB -0.557 30.868 31.823 -0.663 0.000 0.667 213 V HN 0.583 nan 8.190 nan 0.000 0.461 214 N N -1.709 116.797 118.700 -0.324 0.000 2.508 214 N HA 0.156 4.714 4.740 -0.303 0.000 0.186 214 N C 0.533 175.678 175.510 -0.609 0.000 1.034 214 N CA 0.608 53.410 53.050 -0.412 0.000 0.885 214 N CB 0.246 38.586 38.487 -0.246 0.000 1.135 214 N HN 0.417 nan 8.380 nan 0.000 0.435 215 F N 0.455 120.122 119.950 -0.473 0.000 2.732 215 F HA 0.461 4.808 4.527 -0.301 0.000 0.394 215 F C 1.496 177.085 175.800 -0.352 0.000 1.194 215 F CA -0.705 57.036 58.000 -0.432 0.000 1.127 215 F CB 1.229 39.935 39.000 -0.490 0.000 1.470 215 F HN -0.390 nan 8.300 nan 0.000 0.505 216 K N -0.760 119.547 120.400 -0.155 0.000 2.502 216 K HA 0.245 4.383 4.320 -0.303 0.000 0.211 216 K C 0.274 176.903 176.600 0.048 0.000 1.259 216 K CA 0.015 56.205 56.287 -0.162 0.000 0.983 216 K CB 1.164 33.372 32.500 -0.487 0.000 1.054 216 K HN 0.670 nan 8.250 nan 0.000 0.572 217 G N 0.919 109.767 108.800 0.080 0.000 2.339 217 G HA2 0.308 4.086 3.960 -0.303 0.000 0.287 217 G HA3 0.308 4.086 3.960 -0.303 0.000 0.287 217 G C -0.782 173.834 174.900 -0.473 0.000 1.163 217 G CA 0.208 45.315 45.100 0.013 0.000 0.872 217 G HN -0.074 nan 8.290 nan 0.000 0.464 218 T N 0.788 115.081 114.554 -0.434 0.000 2.923 218 T HA 0.344 4.512 4.350 -0.303 0.000 0.311 218 T C -0.475 174.187 174.700 -0.063 0.000 1.183 218 T CA -0.510 61.404 62.100 -0.311 0.000 1.020 218 T CB 2.017 70.824 68.868 -0.101 0.000 1.165 218 T HN 0.302 nan 8.240 nan 0.000 0.482 219 D N 1.221 121.660 120.400 0.064 0.000 2.398 219 D HA 0.229 4.687 4.640 -0.303 0.000 0.210 219 D C 0.166 176.480 176.300 0.023 0.000 1.094 219 D CA 0.334 54.411 54.000 0.128 0.000 0.839 219 D CB 0.587 41.488 40.800 0.169 0.000 0.963 219 D HN 0.458 nan 8.370 nan 0.000 0.506 220 T N 1.054 115.549 114.554 -0.097 0.000 2.891 220 T HA 0.127 4.295 4.350 -0.303 0.000 0.315 220 T C 1.856 176.382 174.700 -0.291 0.000 1.054 220 T CA -0.317 61.564 62.100 -0.365 0.000 0.958 220 T CB 1.185 69.815 68.868 -0.397 0.000 1.008 220 T HN -0.050 nan 8.240 nan 0.000 0.521 221 V N 1.850 121.626 119.914 -0.230 0.000 2.427 221 V HA -0.098 3.840 4.120 -0.303 0.000 0.248 221 V C 2.744 178.751 176.094 -0.144 0.000 1.051 221 V CA 1.556 63.785 62.300 -0.118 0.000 1.048 221 V CB -1.514 30.289 31.823 -0.033 0.000 0.666 221 V HN 0.768 nan 8.190 nan 0.000 0.456 222 A N 1.762 124.443 122.820 -0.232 0.000 1.940 222 A HA -0.169 3.969 4.320 -0.303 0.000 0.221 222 A C 2.454 179.959 177.584 -0.132 0.000 1.190 222 A CA 2.689 54.631 52.037 -0.158 0.000 0.647 222 A CB -1.677 17.199 19.000 -0.208 0.000 0.821 222 A HN 0.752 nan 8.150 nan 0.000 0.457 223 G N -0.243 108.447 108.800 -0.182 0.000 2.476 223 G HA2 -0.235 3.543 3.960 -0.303 0.000 0.218 223 G HA3 -0.235 3.543 3.960 -0.303 0.000 0.218 223 G C 1.419 176.239 174.900 -0.132 0.000 1.164 223 G CA 1.331 46.341 45.100 -0.150 0.000 0.768 223 G HN 0.415 nan 8.290 nan 0.000 0.560 224 I N 1.977 122.479 120.570 -0.115 0.000 2.151 224 I HA -0.190 3.799 4.170 -0.303 0.000 0.243 224 I C 3.238 179.319 176.117 -0.060 0.000 1.080 224 I CA 1.352 62.592 61.300 -0.099 0.000 1.339 224 I CB -0.567 37.401 38.000 -0.053 0.000 1.039 224 I HN 0.251 nan 8.210 nan 0.000 0.409 225 A N 0.062 122.866 122.820 -0.027 0.000 1.881 225 A HA -0.307 3.831 4.320 -0.303 0.000 0.219 225 A C 2.393 180.017 177.584 0.066 0.000 1.215 225 A CA 2.419 54.465 52.037 0.015 0.000 0.648 225 A CB -1.332 17.685 19.000 0.029 0.000 0.832 225 A HN 0.460 nan 8.150 nan 0.000 0.455 226 L N -0.318 120.961 121.223 0.093 0.000 2.021 226 L HA -0.241 3.918 4.340 -0.303 0.000 0.215 226 L C 2.439 179.468 176.870 0.265 0.000 1.074 226 L CA 2.151 57.133 54.840 0.236 0.000 0.760 226 L CB -0.297 41.776 42.059 0.024 0.000 0.889 226 L HN 0.537 nan 8.230 nan 0.000 0.433 227 I N -0.668 119.913 120.570 0.017 0.000 2.127 227 I HA -0.347 3.642 4.170 -0.303 0.000 0.241 227 I C 2.499 178.660 176.117 0.074 0.000 1.075 227 I CA 1.680 62.931 61.300 -0.081 0.000 1.334 227 I CB -0.507 37.178 38.000 -0.525 0.000 1.040 227 I HN 0.207 nan 8.210 nan 0.000 0.405 228 K N 0.879 121.289 120.400 0.017 0.000 2.026 228 K HA -0.219 3.920 4.320 -0.303 0.000 0.208 228 K C 2.225 178.824 176.600 -0.003 0.000 1.048 228 K CA 1.412 57.713 56.287 0.023 0.000 0.929 228 K CB -0.247 32.253 32.500 0.001 0.000 0.713 228 K HN 0.206 nan 8.250 nan 0.000 0.439 229 K N 0.006 120.379 120.400 -0.046 0.000 2.211 229 K HA -0.137 4.002 4.320 -0.303 0.000 0.203 229 K C 1.094 177.419 176.600 -0.460 0.000 1.050 229 K CA 1.372 57.510 56.287 -0.248 0.000 0.945 229 K CB 0.159 32.467 32.500 -0.320 0.000 0.732 229 K HN 0.203 nan 8.250 nan 0.000 0.451 230 Y N -2.379 117.936 120.300 0.026 0.000 2.430 230 Y HA 0.111 4.480 4.550 -0.303 0.000 0.248 230 Y C 0.640 176.353 175.900 -0.312 0.000 1.108 230 Y CA -0.140 57.896 58.100 -0.106 0.000 1.264 230 Y CB 0.780 39.213 38.460 -0.045 0.000 1.172 230 Y HN 0.010 nan 8.280 nan 0.000 0.520 231 Y N -1.288 119.122 120.300 0.183 0.000 2.728 231 Y HA 0.466 4.835 4.550 -0.301 0.000 0.267 231 Y C 1.185 177.183 175.900 0.164 0.000 1.169 231 Y CA -0.104 58.126 58.100 0.218 0.000 1.168 231 Y CB 0.533 39.194 38.460 0.334 0.000 1.370 231 Y HN -0.148 nan 8.280 nan 0.000 0.482 232 G N 1.462 110.420 108.800 0.263 0.000 2.981 232 G HA2 -0.010 3.768 3.960 -0.303 0.000 0.686 232 G HA3 -0.010 3.768 3.960 -0.303 0.000 0.686 232 G C -0.568 174.453 174.900 0.202 0.000 1.068 232 G CA -0.159 45.042 45.100 0.168 0.000 0.806 232 G HN 0.190 nan 8.290 nan 0.000 0.568 233 T N 2.059 116.697 114.554 0.141 0.000 2.887 233 T HA 0.704 4.872 4.350 -0.303 0.000 0.288 233 T C 0.761 175.516 174.700 0.092 0.000 1.021 233 T CA -0.951 61.235 62.100 0.143 0.000 1.000 233 T CB 2.257 71.206 68.868 0.136 0.000 1.034 233 T HN 0.488 nan 8.240 nan 0.000 0.467 234 K N 0.260 120.708 120.400 0.080 0.000 2.354 234 K HA 0.251 4.389 4.320 -0.303 0.000 0.194 234 K C 0.199 176.828 176.600 0.048 0.000 1.038 234 K CA -0.084 56.236 56.287 0.055 0.000 1.052 234 K CB 0.003 32.532 32.500 0.048 0.000 0.861 234 K HN 0.555 nan 8.250 nan 0.000 0.535 235 D N 1.130 121.564 120.400 0.057 0.000 2.361 235 D HA 0.054 4.512 4.640 -0.303 0.000 0.239 235 D C -1.510 174.819 176.300 0.049 0.000 1.200 235 D CA -1.217 52.813 54.000 0.050 0.000 0.915 235 D CB 1.178 42.016 40.800 0.063 0.000 1.170 235 D HN -0.105 nan 8.370 nan 0.000 0.444 236 P HA 0.099 nan 4.420 nan 0.000 0.215 236 P C -0.257 177.076 177.300 0.055 0.000 1.134 236 P CA -0.005 63.120 63.100 0.042 0.000 0.894 236 P CB 0.550 32.268 31.700 0.031 0.000 0.805 237 V N 3.928 123.879 119.914 0.062 0.000 2.221 237 V HA 0.140 4.078 4.120 -0.303 0.000 0.258 237 V C -1.257 174.900 176.094 0.105 0.000 1.179 237 V CA -1.148 61.209 62.300 0.095 0.000 1.022 237 V CB 0.838 32.714 31.823 0.089 0.000 1.228 237 V HN 0.135 nan 8.190 nan 0.000 0.487 238 P HA 0.050 nan 4.420 nan 0.000 0.217 238 P C 0.687 178.044 177.300 0.095 0.000 1.151 238 P CA 0.872 64.025 63.100 0.088 0.000 0.828 238 P CB 0.597 32.321 31.700 0.040 0.000 0.788 239 G N -1.253 107.611 108.800 0.108 0.000 2.571 239 G HA2 0.516 4.295 3.960 -0.303 0.000 0.304 239 G HA3 0.516 4.295 3.960 -0.303 0.000 0.304 239 G C -2.354 172.696 174.900 0.251 0.000 1.314 239 G CA -0.358 44.822 45.100 0.134 0.000 0.975 239 G HN 0.075 nan 8.290 nan 0.000 0.485 240 Y N 0.791 121.185 120.300 0.156 0.000 2.534 240 Y HA 0.780 5.148 4.550 -0.305 0.000 0.345 240 Y C -0.572 175.471 175.900 0.238 0.000 1.031 240 Y CA -0.962 57.253 58.100 0.192 0.000 1.022 240 Y CB 2.457 41.075 38.460 0.263 0.000 1.292 240 Y HN 0.814 nan 8.280 nan 0.000 0.459 241 S N 3.264 118.714 115.700 -0.417 0.000 2.596 241 S HA 0.817 5.105 4.470 -0.303 0.000 0.270 241 S C -1.763 172.494 174.600 -0.572 0.000 1.155 241 S CA -0.116 57.871 58.200 -0.356 0.000 0.827 241 S CB 1.013 64.203 63.200 -0.017 0.000 1.130 241 S HN 1.428 nan 8.310 nan 0.000 0.467 242 V N 0.858 120.522 119.914 -0.415 0.000 3.046 242 V HA 0.878 4.816 4.120 -0.303 0.000 0.316 242 V C -2.683 173.230 176.094 -0.302 0.000 1.104 242 V CA -2.240 59.860 62.300 -0.333 0.000 1.006 242 V CB 1.406 33.052 31.823 -0.296 0.000 1.058 242 V HN 0.816 nan 8.190 nan 0.000 0.440 243 P HA 0.538 nan 4.420 nan 0.000 0.271 243 P C -0.479 176.508 177.300 -0.522 0.000 1.220 243 P CA 0.228 62.999 63.100 -0.549 0.000 0.768 243 P CB 1.350 32.395 31.700 -1.090 0.000 0.848 244 A N 2.456 125.022 122.820 -0.423 0.000 2.483 244 A HA 0.849 4.987 4.320 -0.303 0.000 0.286 244 A C -1.029 176.400 177.584 -0.260 0.000 1.207 244 A CA -0.603 51.236 52.037 -0.331 0.000 0.764 244 A CB 1.449 20.265 19.000 -0.306 0.000 1.341 244 A HN 0.606 nan 8.150 nan 0.000 0.428 245 A N -0.273 122.429 122.820 -0.196 0.000 2.355 245 A HA 0.741 4.879 4.320 -0.303 0.000 0.324 245 A C -0.282 177.207 177.584 -0.159 0.000 1.117 245 A CA -0.094 51.873 52.037 -0.118 0.000 0.785 245 A CB 0.748 19.719 19.000 -0.049 0.000 1.254 245 A HN 1.008 nan 8.150 nan 0.000 0.453 246 E N -0.060 120.066 120.200 -0.122 0.000 2.396 246 E HA 0.489 4.657 4.350 -0.303 0.000 0.251 246 E C -0.266 176.236 176.600 -0.163 0.000 0.949 246 E CA -0.698 55.606 56.400 -0.160 0.000 0.834 246 E CB 0.500 30.151 29.700 -0.082 0.000 1.309 246 E HN 0.626 nan 8.360 nan 0.000 0.405 247 H N -0.680 118.378 119.070 -0.019 0.000 2.521 247 H HA -0.059 4.314 4.556 -0.305 0.000 0.286 247 H C 1.889 177.222 175.328 0.009 0.000 1.034 247 H CA 1.834 57.871 56.048 -0.019 0.000 1.278 247 H CB 0.279 30.015 29.762 -0.043 0.000 1.386 247 H HN 0.557 nan 8.280 nan 0.000 0.567 248 S N -0.653 115.114 115.700 0.112 0.000 2.421 248 S HA -0.117 4.172 4.470 -0.303 0.000 0.224 248 S C 2.126 176.806 174.600 0.134 0.000 1.035 248 S CA 0.802 59.064 58.200 0.104 0.000 0.953 248 S CB -0.524 62.718 63.200 0.069 0.000 0.810 248 S HN 0.483 nan 8.310 nan 0.000 0.497 249 T N -0.212 114.422 114.554 0.133 0.000 3.155 249 T HA 0.209 4.377 4.350 -0.303 0.000 0.264 249 T C 1.417 176.324 174.700 0.345 0.000 1.160 249 T CA 0.466 62.697 62.100 0.219 0.000 1.075 249 T CB -0.364 68.612 68.868 0.179 0.000 0.921 249 T HN 0.351 nan 8.240 nan 0.000 0.533 250 I N 1.635 122.358 120.570 0.254 0.000 3.812 250 I HA 0.048 4.036 4.170 -0.303 0.000 0.292 250 I C 2.595 178.890 176.117 0.296 0.000 1.206 250 I CA 1.298 62.735 61.300 0.228 0.000 1.370 250 I CB -0.908 37.151 38.000 0.097 0.000 1.328 250 I HN 0.390 nan 8.210 nan 0.000 0.453 251 T N 0.116 114.800 114.554 0.217 0.000 2.951 251 T HA 0.041 4.209 4.350 -0.303 0.000 0.268 251 T C 1.947 176.800 174.700 0.255 0.000 1.073 251 T CA 0.949 63.191 62.100 0.237 0.000 1.134 251 T CB -0.360 68.597 68.868 0.149 0.000 0.884 251 T HN 0.200 nan 8.240 nan 0.000 0.479 252 A N 0.580 123.533 122.820 0.223 0.000 2.076 252 A HA 0.008 4.146 4.320 -0.303 0.000 0.220 252 A C 1.884 179.493 177.584 0.041 0.000 1.160 252 A CA 0.914 53.005 52.037 0.090 0.000 0.653 252 A CB -1.162 17.840 19.000 0.004 0.000 0.801 252 A HN 0.722 nan 8.150 nan 0.000 0.455 253 W N -0.829 120.504 121.300 0.054 0.000 2.518 253 W HA 0.358 4.837 4.660 -0.302 0.000 0.273 253 W C 1.258 177.860 176.519 0.138 0.000 1.247 253 W CA 1.430 58.809 57.345 0.057 0.000 1.288 253 W CB -0.173 29.320 29.460 0.055 0.000 1.107 253 W HN 0.646 nan 8.180 nan 0.000 0.586 254 G N -0.087 108.921 108.800 0.347 0.000 2.697 254 G HA2 -0.200 3.578 3.960 -0.303 0.000 0.684 254 G HA3 -0.200 3.578 3.960 -0.303 0.000 0.684 254 G C 0.432 175.395 174.900 0.105 0.000 1.274 254 G CA -0.281 44.956 45.100 0.227 0.000 0.806 254 G HN 0.041 nan 8.290 nan 0.000 0.644 255 K N -0.133 120.252 120.400 -0.024 0.000 2.148 255 K HA -0.231 3.907 4.320 -0.303 0.000 0.213 255 K C 1.035 177.347 176.600 -0.480 0.000 1.050 255 K CA 2.390 58.456 56.287 -0.367 0.000 0.932 255 K CB -0.082 32.239 32.500 -0.298 0.000 0.717 255 K HN 0.518 nan 8.250 nan 0.000 0.462 256 D N -0.785 119.382 120.400 -0.388 0.000 2.388 256 D HA 0.023 4.481 4.640 -0.303 0.000 0.221 256 D C 0.001 175.933 176.300 -0.612 0.000 1.133 256 D CA 0.165 53.868 54.000 -0.494 0.000 0.831 256 D CB 0.380 40.872 40.800 -0.512 0.000 0.962 256 D HN 0.349 nan 8.370 nan 0.000 0.502 257 H N 0.100 119.146 119.070 -0.041 0.000 2.637 257 H HA 0.085 4.460 4.556 -0.303 0.000 0.245 257 H C 1.383 176.650 175.328 -0.101 0.000 1.190 257 H CA -0.106 55.933 56.048 -0.014 0.000 0.934 257 H CB 0.551 30.396 29.762 0.139 0.000 1.950 257 H HN 0.251 nan 8.280 nan 0.000 0.614 258 E N 1.985 122.112 120.200 -0.121 0.000 2.118 258 E HA -0.200 3.968 4.350 -0.303 0.000 0.195 258 E C 2.097 178.272 176.600 -0.708 0.000 0.992 258 E CA 1.488 57.687 56.400 -0.334 0.000 0.804 258 E CB 0.290 29.801 29.700 -0.315 0.000 0.741 258 E HN 0.318 nan 8.360 nan 0.000 0.458 259 K N -0.047 120.024 120.400 -0.548 0.000 2.217 259 K HA -0.136 4.002 4.320 -0.303 0.000 0.202 259 K C 1.086 177.499 176.600 -0.312 0.000 1.051 259 K CA 1.473 57.466 56.287 -0.490 0.000 0.952 259 K CB 0.102 32.413 32.500 -0.315 0.000 0.736 259 K HN 0.114 nan 8.250 nan 0.000 0.453 260 D N 0.923 121.154 120.400 -0.283 0.000 2.183 260 D HA -0.085 4.373 4.640 -0.303 0.000 0.203 260 D C 1.764 177.627 176.300 -0.729 0.000 0.969 260 D CA 1.176 54.993 54.000 -0.305 0.000 0.842 260 D CB -0.017 40.724 40.800 -0.099 0.000 0.957 260 D HN 0.376 nan 8.370 nan 0.000 0.484 261 A N 0.739 122.880 122.820 -1.131 0.000 1.854 261 A HA -0.119 4.019 4.320 -0.303 0.000 0.214 261 A C 1.951 179.364 177.584 -0.285 0.000 1.192 261 A CA 0.617 51.872 52.037 -1.304 0.000 0.611 261 A CB -0.895 17.271 19.000 -1.390 0.000 0.832 261 A HN 0.037 nan 8.150 nan 0.000 0.442 262 F N 0.522 120.258 119.950 -0.358 0.000 2.085 262 F HA -0.235 4.110 4.527 -0.302 0.000 0.299 262 F C 2.387 178.191 175.800 0.007 0.000 1.096 262 F CA 1.765 59.673 58.000 -0.154 0.000 1.227 262 F CB -0.803 37.843 39.000 -0.591 0.000 0.983 262 F HN 0.568 nan 8.300 nan 0.000 0.482 263 E N -1.567 118.693 120.200 0.100 0.000 2.371 263 E HA -0.196 3.972 4.350 -0.303 0.000 0.194 263 E C 1.875 178.519 176.600 0.073 0.000 1.012 263 E CA 0.661 57.113 56.400 0.086 0.000 0.860 263 E CB -0.294 29.425 29.700 0.031 0.000 0.811 263 E HN 0.539 nan 8.360 nan 0.000 0.502 264 H N -0.299 118.724 119.070 -0.078 0.000 2.535 264 H HA 0.162 4.536 4.556 -0.303 0.000 0.273 264 H C 1.503 176.884 175.328 0.088 0.000 0.983 264 H CA 1.113 57.158 56.048 -0.004 0.000 1.238 264 H CB 0.297 30.028 29.762 -0.052 0.000 1.412 264 H HN 0.197 nan 8.280 nan 0.000 0.562 265 I N 0.015 120.688 120.570 0.171 0.000 3.462 265 I HA -0.040 3.949 4.170 -0.303 0.000 0.290 265 I C 1.205 177.447 176.117 0.207 0.000 1.236 265 I CA 0.432 61.874 61.300 0.237 0.000 1.418 265 I CB 0.637 38.777 38.000 0.233 0.000 1.102 265 I HN 0.192 nan 8.210 nan 0.000 0.441 266 V N -3.539 116.462 119.914 0.144 0.000 3.514 266 V HA 0.233 4.171 4.120 -0.303 0.000 0.301 266 V C 1.132 177.255 176.094 0.047 0.000 1.346 266 V CA 0.449 62.807 62.300 0.098 0.000 1.156 266 V CB -0.564 31.326 31.823 0.112 0.000 1.029 266 V HN 0.203 nan 8.190 nan 0.000 0.428 267 T N -1.409 113.150 114.554 0.008 0.000 3.028 267 T HA 0.095 4.263 4.350 -0.303 0.000 0.250 267 T C 1.742 176.361 174.700 -0.135 0.000 0.979 267 T CA 0.239 62.307 62.100 -0.053 0.000 1.004 267 T CB 0.202 69.030 68.868 -0.067 0.000 1.120 267 T HN 0.305 nan 8.240 nan 0.000 0.482 268 Q N 0.851 120.527 119.800 -0.207 0.000 2.020 268 Q HA 0.076 4.234 4.340 -0.303 0.000 0.202 268 Q C 0.180 175.827 176.000 -0.589 0.000 0.982 268 Q CA 1.196 56.734 55.803 -0.442 0.000 0.838 268 Q CB -0.267 28.168 28.738 -0.504 0.000 0.899 268 Q HN 0.521 nan 8.270 nan 0.000 0.423 269 F N 0.920 120.842 119.950 -0.047 0.000 2.578 269 F HA 0.180 4.527 4.527 -0.300 0.000 0.314 269 F C 1.319 177.092 175.800 -0.045 0.000 1.225 269 F CA -0.402 57.574 58.000 -0.040 0.000 1.215 269 F CB 0.173 39.148 39.000 -0.042 0.000 1.448 269 F HN -0.064 nan 8.300 nan 0.000 0.548 270 S N -1.113 114.599 115.700 0.020 0.000 2.436 270 S HA -0.110 4.178 4.470 -0.303 0.000 0.228 270 S C 1.398 176.007 174.600 0.015 0.000 1.014 270 S CA 0.755 58.960 58.200 0.007 0.000 0.950 270 S CB -0.266 62.919 63.200 -0.025 0.000 0.784 270 S HN 0.411 nan 8.310 nan 0.000 0.504 271 S N 0.937 116.650 115.700 0.023 0.000 2.581 271 S HA 0.590 4.878 4.470 -0.303 0.000 0.245 271 S C -0.125 174.503 174.600 0.046 0.000 1.115 271 S CA -0.215 58.000 58.200 0.025 0.000 1.093 271 S CB -0.179 63.028 63.200 0.012 0.000 0.853 271 S HN 0.847 nan 8.310 nan 0.000 0.479 272 V N -4.012 115.941 119.914 0.064 0.000 3.147 272 V HA 0.719 4.657 4.120 -0.303 0.000 0.299 272 V C -3.486 172.626 176.094 0.030 0.000 1.302 272 V CA -2.584 59.756 62.300 0.066 0.000 1.015 272 V CB 1.033 32.924 31.823 0.113 0.000 1.086 272 V HN 0.016 nan 8.190 nan 0.000 0.437 273 P HA 0.449 nan 4.420 nan 0.000 0.269 273 P C -0.990 176.251 177.300 -0.099 0.000 1.215 273 P CA 0.033 63.099 63.100 -0.056 0.000 0.780 273 P CB 1.096 32.760 31.700 -0.059 0.000 0.898 274 V N 1.572 121.400 119.914 -0.143 0.000 2.851 274 V HA 0.526 4.464 4.120 -0.303 0.000 0.307 274 V C -0.886 175.064 176.094 -0.241 0.000 1.129 274 V CA -0.455 61.726 62.300 -0.199 0.000 0.932 274 V CB 2.237 33.984 31.823 -0.127 0.000 1.024 274 V HN 0.648 nan 8.190 nan 0.000 0.426 275 S N 5.707 121.249 115.700 -0.263 0.000 2.475 275 S HA 0.850 5.138 4.470 -0.303 0.000 0.298 275 S C -1.138 173.316 174.600 -0.244 0.000 1.119 275 S CA -0.497 57.546 58.200 -0.262 0.000 1.085 275 S CB 1.702 64.755 63.200 -0.244 0.000 1.028 275 S HN 0.938 nan 8.310 nan 0.000 0.489 276 V N 4.409 124.170 119.914 -0.256 0.000 2.447 276 V HA 0.328 4.266 4.120 -0.303 0.000 0.292 276 V C -0.140 175.864 176.094 -0.151 0.000 1.021 276 V CA -0.945 61.243 62.300 -0.188 0.000 0.850 276 V CB 1.327 33.037 31.823 -0.189 0.000 1.005 276 V HN 0.903 nan 8.190 nan 0.000 0.426 277 V N 3.518 123.356 119.914 -0.126 0.000 2.814 277 V HA 0.105 4.043 4.120 -0.303 0.000 0.307 277 V C 1.041 177.159 176.094 0.041 0.000 1.089 277 V CA 0.534 62.762 62.300 -0.119 0.000 1.212 277 V CB 0.839 32.464 31.823 -0.329 0.000 0.912 277 V HN 0.983 nan 8.190 nan 0.000 0.497 278 S N 0.827 116.578 115.700 0.085 0.000 2.846 278 S HA 0.091 4.379 4.470 -0.303 0.000 0.249 278 S C 0.696 175.387 174.600 0.151 0.000 1.028 278 S CA 0.017 58.372 58.200 0.259 0.000 1.043 278 S CB -0.062 63.319 63.200 0.302 0.000 0.990 278 S HN 1.021 nan 8.310 nan 0.000 0.564 279 D N 0.751 121.210 120.400 0.100 0.000 2.525 279 D HA 0.225 4.683 4.640 -0.303 0.000 0.229 279 D C 0.771 177.113 176.300 0.069 0.000 1.202 279 D CA -0.059 53.989 54.000 0.080 0.000 0.828 279 D CB 0.067 40.914 40.800 0.079 0.000 1.008 279 D HN 0.027 nan 8.370 nan 0.000 0.493 280 S N -0.202 115.490 115.700 -0.012 0.000 2.344 280 S HA -0.061 4.227 4.470 -0.303 0.000 0.217 280 S C 0.107 174.438 174.600 -0.448 0.000 1.033 280 S CA 0.930 58.950 58.200 -0.300 0.000 1.017 280 S CB -0.292 62.513 63.200 -0.658 0.000 0.941 280 S HN 0.477 nan 8.310 nan 0.000 0.430 281 Y N 0.801 121.131 120.300 0.050 0.000 2.425 281 Y HA 0.436 4.805 4.550 -0.301 0.000 0.344 281 Y C -0.367 175.551 175.900 0.030 0.000 0.969 281 Y CA -1.735 56.378 58.100 0.021 0.000 1.052 281 Y CB 0.640 39.090 38.460 -0.017 0.000 1.215 281 Y HN -0.016 nan 8.280 nan 0.000 0.451 282 D N 2.427 122.936 120.400 0.183 0.000 5.175 282 D HA -0.254 4.204 4.640 -0.303 0.000 0.188 282 D C 0.094 176.462 176.300 0.115 0.000 1.098 282 D CA 0.730 54.827 54.000 0.163 0.000 0.982 282 D CB 0.116 41.015 40.800 0.165 0.000 1.103 282 D HN 0.737 nan 8.370 nan 0.000 0.615 283 I N 3.336 123.913 120.570 0.013 0.000 3.609 283 I HA -0.050 3.938 4.170 -0.303 0.000 0.305 283 I C 0.214 176.112 176.117 -0.365 0.000 1.239 283 I CA 0.278 61.492 61.300 -0.144 0.000 1.191 283 I CB -0.203 37.652 38.000 -0.242 0.000 1.020 283 I HN 0.478 nan 8.210 nan 0.000 0.471 284 Y N -1.506 118.854 120.300 0.101 0.000 2.452 284 Y HA 0.112 4.478 4.550 -0.307 0.000 0.262 284 Y C 2.109 178.064 175.900 0.092 0.000 1.089 284 Y CA -0.100 58.055 58.100 0.092 0.000 1.262 284 Y CB -0.118 38.382 38.460 0.066 0.000 1.236 284 Y HN 0.177 nan 8.280 nan 0.000 0.512 285 N N 0.878 119.694 118.700 0.194 0.000 2.171 285 N HA -0.139 4.419 4.740 -0.303 0.000 0.184 285 N C 1.950 177.516 175.510 0.093 0.000 1.021 285 N CA 1.081 54.203 53.050 0.119 0.000 0.854 285 N CB 0.127 38.659 38.487 0.076 0.000 0.994 285 N HN 0.338 nan 8.380 nan 0.000 0.426 286 A N 1.115 123.998 122.820 0.105 0.000 1.851 286 A HA -0.180 3.958 4.320 -0.303 0.000 0.216 286 A C 2.807 180.520 177.584 0.215 0.000 1.195 286 A CA 1.586 53.703 52.037 0.133 0.000 0.622 286 A CB -1.225 17.950 19.000 0.291 0.000 0.831 286 A HN 0.555 nan 8.150 nan 0.000 0.444 287 C N -1.242 118.234 119.300 0.293 0.000 2.442 287 C HA -0.075 4.203 4.460 -0.303 0.000 0.279 287 C C 2.650 177.819 174.990 0.297 0.000 1.237 287 C CA 1.200 60.440 59.018 0.370 0.000 1.722 287 C CB -1.244 26.628 27.740 0.221 0.000 2.056 287 C HN 0.776 nan 8.230 nan 0.000 0.469 288 E N 1.106 121.434 120.200 0.213 0.000 1.992 288 E HA -0.259 3.909 4.350 -0.303 0.000 0.202 288 E C 2.194 178.864 176.600 0.118 0.000 1.007 288 E CA 1.788 58.283 56.400 0.158 0.000 0.857 288 E CB -0.166 29.617 29.700 0.138 0.000 0.796 288 E HN 0.722 nan 8.360 nan 0.000 0.486 289 K N 0.197 120.646 120.400 0.083 0.000 2.031 289 K HA -0.098 4.040 4.320 -0.303 0.000 0.205 289 K C 2.198 178.818 176.600 0.032 0.000 1.049 289 K CA 1.673 57.987 56.287 0.046 0.000 0.939 289 K CB -0.400 32.112 32.500 0.021 0.000 0.717 289 K HN 0.201 nan 8.250 nan 0.000 0.438 290 I N -0.184 120.383 120.570 -0.006 0.000 2.202 290 I HA -0.184 3.805 4.170 -0.303 0.000 0.242 290 I C 2.083 178.174 176.117 -0.042 0.000 1.091 290 I CA 1.530 62.767 61.300 -0.107 0.000 1.368 290 I CB -0.276 37.565 38.000 -0.266 0.000 1.058 290 I HN 0.271 nan 8.210 nan 0.000 0.410 291 W N 0.136 121.551 121.300 0.192 0.000 2.539 291 W HA 0.109 4.588 4.660 -0.303 0.000 0.281 291 W C 2.449 179.094 176.519 0.211 0.000 1.220 291 W CA 0.480 57.940 57.345 0.193 0.000 1.332 291 W CB -0.398 29.171 29.460 0.181 0.000 1.095 291 W HN 0.030 nan 8.180 nan 0.000 0.571 292 G N -0.136 108.858 108.800 0.323 0.000 2.813 292 G HA2 -0.019 3.760 3.960 -0.303 0.000 0.209 292 G HA3 -0.019 3.760 3.960 -0.303 0.000 0.209 292 G C 0.940 175.823 174.900 -0.028 0.000 1.150 292 G CA 0.677 45.785 45.100 0.012 0.000 0.785 292 G HN 0.239 nan 8.290 nan 0.000 0.535 293 E N -0.097 120.139 120.200 0.060 0.000 3.567 293 E HA 0.012 4.180 4.350 -0.303 0.000 0.207 293 E C 1.192 177.845 176.600 0.088 0.000 1.278 293 E CA -0.163 56.267 56.400 0.050 0.000 1.316 293 E CB -0.156 29.563 29.700 0.032 0.000 2.414 293 E HN -0.024 nan 8.360 nan 0.000 0.544 294 D N 1.575 122.013 120.400 0.064 0.000 2.170 294 D HA -0.168 4.290 4.640 -0.303 0.000 0.193 294 D C 1.728 178.071 176.300 0.072 0.000 1.004 294 D CA 1.442 55.484 54.000 0.069 0.000 0.860 294 D CB 0.011 40.815 40.800 0.007 0.000 0.931 294 D HN 0.143 nan 8.370 nan 0.000 0.448 295 L N -0.162 121.072 121.223 0.018 0.000 2.857 295 L HA 0.266 4.424 4.340 -0.303 0.000 0.249 295 L C 2.032 178.858 176.870 -0.074 0.000 1.172 295 L CA -0.285 54.494 54.840 -0.102 0.000 0.980 295 L CB 0.310 42.390 42.059 0.034 0.000 1.299 295 L HN -0.127 nan 8.230 nan 0.000 0.535 296 R N 0.934 121.477 120.500 0.071 0.000 2.139 296 R HA -0.203 3.955 4.340 -0.303 0.000 0.243 296 R C 2.282 178.645 176.300 0.105 0.000 1.145 296 R CA 1.935 58.142 56.100 0.177 0.000 0.976 296 R CB -0.169 30.213 30.300 0.137 0.000 0.866 296 R HN 0.590 nan 8.270 nan 0.000 0.449 297 H N -0.546 118.585 119.070 0.101 0.000 2.495 297 H HA -0.053 4.322 4.556 -0.302 0.000 0.287 297 H C 1.767 177.112 175.328 0.028 0.000 1.033 297 H CA 0.781 56.857 56.048 0.048 0.000 1.307 297 H CB -0.336 29.446 29.762 0.034 0.000 1.401 297 H HN 0.285 nan 8.280 nan 0.000 0.555 298 L N 0.421 121.520 121.223 -0.207 0.000 2.599 298 L HA 0.098 4.256 4.340 -0.303 0.000 0.230 298 L C 1.922 178.754 176.870 -0.064 0.000 1.141 298 L CA 0.222 55.016 54.840 -0.077 0.000 0.877 298 L CB -0.076 41.936 42.059 -0.079 0.000 1.009 298 L HN 0.174 nan 8.230 nan 0.000 0.447 299 I N -1.372 119.155 120.570 -0.072 0.000 2.681 299 I HA -0.072 3.916 4.170 -0.303 0.000 0.247 299 I C 2.102 177.956 176.117 -0.439 0.000 1.091 299 I CA 0.353 61.565 61.300 -0.147 0.000 1.442 299 I CB -0.109 37.881 38.000 -0.016 0.000 1.219 299 I HN -0.127 nan 8.210 nan 0.000 0.451 300 V N 0.945 120.567 119.914 -0.486 0.000 3.026 300 V HA -0.141 3.797 4.120 -0.303 0.000 0.265 300 V C 1.637 177.384 176.094 -0.578 0.000 1.121 300 V CA 1.596 63.307 62.300 -0.981 0.000 1.142 300 V CB -1.215 30.389 31.823 -0.364 0.000 0.730 300 V HN 0.550 nan 8.190 nan 0.000 0.503 301 S N 0.140 115.665 115.700 -0.292 0.000 2.582 301 S HA 0.381 4.670 4.470 -0.303 0.000 0.249 301 S C 0.291 174.826 174.600 -0.109 0.000 1.072 301 S CA -0.596 57.520 58.200 -0.140 0.000 1.115 301 S CB -0.176 62.994 63.200 -0.049 0.000 0.790 301 S HN 0.607 nan 8.310 nan 0.000 0.459 302 R N 1.121 121.535 120.500 -0.144 0.000 2.750 302 R HA 0.547 4.706 4.340 -0.303 0.000 0.281 302 R C -0.273 176.045 176.300 0.030 0.000 0.972 302 R CA -0.543 55.529 56.100 -0.046 0.000 0.912 302 R CB 1.818 32.091 30.300 -0.045 0.000 1.187 302 R HN 0.453 nan 8.270 nan 0.000 0.464 303 S N -0.412 115.307 115.700 0.030 0.000 2.600 303 S HA -0.017 4.272 4.470 -0.303 0.000 0.265 303 S C 1.335 175.969 174.600 0.056 0.000 1.325 303 S CA -0.153 58.074 58.200 0.045 0.000 1.002 303 S CB 1.181 64.395 63.200 0.024 0.000 0.921 303 S HN 0.801 nan 8.310 nan 0.000 0.554 304 T N -2.905 111.675 114.554 0.045 0.000 3.067 304 T HA 0.051 4.220 4.350 -0.303 0.000 0.261 304 T C 1.238 175.936 174.700 -0.003 0.000 1.110 304 T CA 0.782 62.892 62.100 0.017 0.000 1.113 304 T CB -0.459 68.411 68.868 0.002 0.000 0.917 304 T HN 0.763 nan 8.240 nan 0.000 0.499 305 E N 1.255 121.457 120.200 0.002 0.000 2.418 305 E HA 0.217 4.385 4.350 -0.303 0.000 0.197 305 E C 0.533 177.132 176.600 -0.002 0.000 1.026 305 E CA 0.410 56.807 56.400 -0.005 0.000 0.862 305 E CB 0.003 29.703 29.700 -0.001 0.000 0.799 305 E HN 0.628 nan 8.360 nan 0.000 0.518 306 A N 1.889 124.708 122.820 -0.001 0.000 3.158 306 A HA 0.317 4.456 4.320 -0.303 0.000 0.302 306 A C -2.769 174.803 177.584 -0.020 0.000 1.162 306 A CA -1.140 50.894 52.037 -0.005 0.000 0.824 306 A CB 0.755 19.761 19.000 0.010 0.000 1.322 306 A HN 0.056 nan 8.150 nan 0.000 0.510 307 P HA 0.497 nan 4.420 nan 0.000 0.284 307 P C -0.469 176.750 177.300 -0.135 0.000 1.292 307 P CA -0.560 62.498 63.100 -0.069 0.000 0.800 307 P CB 1.274 32.920 31.700 -0.089 0.000 1.188 308 L N 0.853 121.955 121.223 -0.201 0.000 2.265 308 L HA 0.372 4.530 4.340 -0.303 0.000 0.288 308 L C -0.539 176.111 176.870 -0.367 0.000 1.058 308 L CA -0.310 54.333 54.840 -0.328 0.000 0.809 308 L CB -0.236 41.536 42.059 -0.477 0.000 1.179 308 L HN 0.121 nan 8.230 nan 0.000 0.429 309 I N 6.693 127.055 120.570 -0.347 0.000 2.312 309 I HA 0.267 4.255 4.170 -0.303 0.000 0.290 309 I C -0.028 175.859 176.117 -0.383 0.000 1.008 309 I CA -0.434 60.673 61.300 -0.322 0.000 1.226 309 I CB 1.280 39.133 38.000 -0.244 0.000 1.371 309 I HN 0.486 nan 8.210 nan 0.000 0.468 310 I N 6.834 127.165 120.570 -0.399 0.000 2.395 310 I HA 0.263 4.252 4.170 -0.303 0.000 0.289 310 I C 0.669 176.639 176.117 -0.244 0.000 1.023 310 I CA -0.275 60.798 61.300 -0.379 0.000 1.350 310 I CB 0.738 38.510 38.000 -0.379 0.000 1.409 310 I HN 0.494 nan 8.210 nan 0.000 0.507 311 R N 8.269 128.660 120.500 -0.182 0.000 2.443 311 R HA 0.372 4.530 4.340 -0.303 0.000 0.287 311 R C -2.608 173.647 176.300 -0.075 0.000 1.425 311 R CA -1.423 54.602 56.100 -0.125 0.000 1.300 311 R CB 1.339 31.570 30.300 -0.114 0.000 1.129 311 R HN 0.340 nan 8.270 nan 0.000 0.577 312 P HA 0.094 nan 4.420 nan 0.000 0.272 312 P C -0.787 176.515 177.300 0.003 0.000 1.240 312 P CA 0.086 63.157 63.100 -0.049 0.000 0.791 312 P CB 0.947 32.595 31.700 -0.086 0.000 0.978 313 D N -0.683 119.741 120.400 0.039 0.000 3.602 313 D HA 0.272 4.730 4.640 -0.303 0.000 0.275 313 D C -1.355 174.989 176.300 0.075 0.000 1.348 313 D CA -0.274 53.776 54.000 0.083 0.000 0.768 313 D CB -0.396 40.490 40.800 0.144 0.000 1.373 313 D HN 0.433 nan 8.370 nan 0.000 0.683 314 S N -0.622 115.107 115.700 0.047 0.000 2.712 314 S HA 0.652 4.940 4.470 -0.303 0.000 0.279 314 S C 0.181 174.808 174.600 0.045 0.000 1.025 314 S CA -0.327 57.898 58.200 0.040 0.000 0.861 314 S CB 0.776 63.996 63.200 0.032 0.000 1.091 314 S HN 1.315 nan 8.310 nan 0.000 0.457 315 G N 1.636 110.468 108.800 0.053 0.000 2.712 315 G HA2 -0.019 3.759 3.960 -0.303 0.000 0.683 315 G HA3 -0.019 3.759 3.960 -0.303 0.000 0.683 315 G C -0.580 174.357 174.900 0.061 0.000 1.320 315 G CA -0.368 44.774 45.100 0.070 0.000 0.847 315 G HN 1.532 nan 8.290 nan 0.000 0.553 316 N N 1.872 120.612 118.700 0.066 0.000 2.429 316 N HA 0.124 4.683 4.740 -0.303 0.000 0.271 316 N C -0.074 175.470 175.510 0.055 0.000 1.272 316 N CA -0.669 52.414 53.050 0.055 0.000 0.921 316 N CB 1.127 39.646 38.487 0.053 0.000 1.128 316 N HN 0.281 nan 8.380 nan 0.000 0.481 317 P HA -0.224 nan 4.420 nan 0.000 0.218 317 P C 1.394 178.727 177.300 0.056 0.000 1.150 317 P CA 0.958 64.090 63.100 0.052 0.000 0.841 317 P CB 0.416 32.148 31.700 0.053 0.000 0.784 318 L N 0.379 121.632 121.223 0.050 0.000 2.130 318 L HA 0.061 4.219 4.340 -0.303 0.000 0.200 318 L C 1.805 178.706 176.870 0.051 0.000 1.075 318 L CA 1.896 56.766 54.840 0.050 0.000 0.768 318 L CB -1.463 40.620 42.059 0.041 0.000 0.933 318 L HN -0.268 nan 8.230 nan 0.000 0.451 319 D N -0.452 119.983 120.400 0.058 0.000 2.203 319 D HA -0.202 4.256 4.640 -0.303 0.000 0.199 319 D C 1.914 178.271 176.300 0.094 0.000 0.997 319 D CA 1.944 55.986 54.000 0.069 0.000 0.863 319 D CB -0.375 40.466 40.800 0.067 0.000 0.928 319 D HN 0.425 nan 8.370 nan 0.000 0.458 320 T N 0.443 115.055 114.554 0.097 0.000 2.732 320 T HA -0.067 4.101 4.350 -0.303 0.000 0.261 320 T C 2.340 177.059 174.700 0.032 0.000 1.040 320 T CA 0.617 62.783 62.100 0.110 0.000 1.145 320 T CB -0.479 68.428 68.868 0.064 0.000 0.866 320 T HN -0.019 nan 8.240 nan 0.000 0.427 321 V N 1.741 121.645 119.914 -0.017 0.000 2.332 321 V HA -0.149 3.790 4.120 -0.303 0.000 0.248 321 V C 2.516 178.521 176.094 -0.147 0.000 1.055 321 V CA 1.533 63.773 62.300 -0.099 0.000 1.038 321 V CB -0.708 31.063 31.823 -0.088 0.000 0.651 321 V HN 0.433 nan 8.190 nan 0.000 0.450 322 L N -0.565 120.615 121.223 -0.071 0.000 2.046 322 L HA -0.218 3.940 4.340 -0.303 0.000 0.208 322 L C 2.549 179.400 176.870 -0.033 0.000 1.077 322 L CA 2.003 56.801 54.840 -0.070 0.000 0.747 322 L CB -0.580 41.506 42.059 0.046 0.000 0.896 322 L HN 0.289 nan 8.230 nan 0.000 0.432 323 K N -0.072 120.365 120.400 0.061 0.000 2.031 323 K HA -0.111 4.028 4.320 -0.303 0.000 0.205 323 K C 2.078 178.764 176.600 0.144 0.000 1.049 323 K CA 0.859 57.230 56.287 0.141 0.000 0.939 323 K CB 0.013 32.658 32.500 0.241 0.000 0.717 323 K HN -0.029 nan 8.250 nan 0.000 0.438 324 V N 1.764 121.737 119.914 0.098 0.000 2.278 324 V HA -0.307 3.631 4.120 -0.303 0.000 0.251 324 V C 2.256 178.299 176.094 -0.085 0.000 1.062 324 V CA 1.839 64.136 62.300 -0.004 0.000 1.038 324 V CB -0.320 31.437 31.823 -0.111 0.000 0.646 324 V HN 0.348 nan 8.190 nan 0.000 0.447 325 L N -0.204 120.857 121.223 -0.270 0.000 2.056 325 L HA -0.179 3.980 4.340 -0.303 0.000 0.207 325 L C 2.390 179.100 176.870 -0.267 0.000 1.078 325 L CA 2.056 56.556 54.840 -0.567 0.000 0.749 325 L CB -0.635 40.597 42.059 -1.378 0.000 0.901 325 L HN 0.438 nan 8.230 nan 0.000 0.433 326 D N 0.173 120.550 120.400 -0.039 0.000 2.178 326 D HA -0.195 4.263 4.640 -0.303 0.000 0.201 326 D C 1.943 178.346 176.300 0.171 0.000 0.980 326 D CA 1.185 55.308 54.000 0.204 0.000 0.842 326 D CB 0.159 41.074 40.800 0.191 0.000 0.948 326 D HN 0.107 nan 8.370 nan 0.000 0.472 327 I N 0.234 120.884 120.570 0.133 0.000 2.233 327 I HA -0.111 3.877 4.170 -0.303 0.000 0.243 327 I C 2.281 178.502 176.117 0.173 0.000 1.093 327 I CA 0.802 62.197 61.300 0.158 0.000 1.380 327 I CB -0.436 37.683 38.000 0.198 0.000 1.067 327 I HN 0.145 nan 8.210 nan 0.000 0.413 328 L N -0.310 121.017 121.223 0.173 0.000 2.156 328 L HA -0.071 4.088 4.340 -0.303 0.000 0.208 328 L C 2.499 179.574 176.870 0.342 0.000 1.095 328 L CA 1.277 56.297 54.840 0.301 0.000 0.770 328 L CB -1.205 40.981 42.059 0.212 0.000 0.914 328 L HN 0.354 nan 8.230 nan 0.000 0.439 329 G N 0.138 109.121 108.800 0.304 0.000 2.432 329 G HA2 -0.236 3.543 3.960 -0.303 0.000 0.219 329 G HA3 -0.236 3.543 3.960 -0.303 0.000 0.219 329 G C 1.692 176.735 174.900 0.238 0.000 1.135 329 G CA 0.462 45.784 45.100 0.369 0.000 0.767 329 G HN 0.321 nan 8.290 nan 0.000 0.550 330 K N -0.115 120.395 120.400 0.183 0.000 2.296 330 K HA 0.043 4.182 4.320 -0.303 0.000 0.200 330 K C 2.143 178.765 176.600 0.035 0.000 1.048 330 K CA 0.623 56.973 56.287 0.106 0.000 0.966 330 K CB 0.154 32.712 32.500 0.096 0.000 0.754 330 K HN 0.074 nan 8.250 nan 0.000 0.466 331 K N -0.243 120.153 120.400 -0.007 0.000 2.276 331 K HA 0.142 4.280 4.320 -0.303 0.000 0.198 331 K C 0.582 176.896 176.600 -0.478 0.000 1.052 331 K CA 0.716 56.836 56.287 -0.278 0.000 0.984 331 K CB 0.197 32.435 32.500 -0.436 0.000 0.836 331 K HN -0.034 nan 8.250 nan 0.000 0.490 332 F N 1.951 121.976 119.950 0.127 0.000 2.572 332 F HA 0.346 4.691 4.527 -0.303 0.000 0.342 332 F C -1.972 173.897 175.800 0.116 0.000 1.064 332 F CA -2.620 55.463 58.000 0.138 0.000 1.008 332 F CB 0.697 39.787 39.000 0.149 0.000 1.303 332 F HN -0.219 nan 8.300 nan 0.000 0.492 333 P HA 0.168 nan 4.420 nan 0.000 0.280 333 P C -1.028 176.355 177.300 0.138 0.000 1.386 333 P CA -0.050 63.162 63.100 0.187 0.000 0.899 333 P CB 0.516 32.324 31.700 0.180 0.000 1.098 334 V N 2.087 122.077 119.914 0.127 0.000 2.465 334 V HA 0.466 4.404 4.120 -0.303 0.000 0.279 334 V C 0.798 176.916 176.094 0.040 0.000 1.045 334 V CA -0.584 61.774 62.300 0.097 0.000 0.938 334 V CB 0.789 32.684 31.823 0.119 0.000 0.986 334 V HN 0.582 nan 8.190 nan 0.000 0.467 335 S N 2.855 118.569 115.700 0.023 0.000 2.730 335 S HA 0.743 5.031 4.470 -0.303 0.000 0.284 335 S C -0.385 174.203 174.600 -0.020 0.000 1.153 335 S CA -0.654 57.548 58.200 0.003 0.000 0.995 335 S CB 2.091 65.294 63.200 0.005 0.000 1.058 335 S HN 0.962 nan 8.310 nan 0.000 0.552 336 E N -0.109 120.075 120.200 -0.026 0.000 2.355 336 E HA 0.534 4.702 4.350 -0.303 0.000 0.261 336 E C -1.040 175.550 176.600 -0.016 0.000 0.943 336 E CA -0.982 55.391 56.400 -0.045 0.000 0.806 336 E CB 1.368 31.028 29.700 -0.068 0.000 1.286 336 E HN 0.896 nan 8.360 nan 0.000 0.424 337 N N -0.423 118.271 118.700 -0.010 0.000 2.853 337 N HA 0.108 4.667 4.740 -0.303 0.000 0.258 337 N C 0.074 175.591 175.510 0.012 0.000 1.444 337 N CA -0.358 52.701 53.050 0.015 0.000 0.837 337 N CB 1.480 39.997 38.487 0.049 0.000 1.489 337 N HN 0.384 nan 8.380 nan 0.000 0.529 338 S N 0.226 115.939 115.700 0.022 0.000 2.421 338 S HA -0.199 4.089 4.470 -0.303 0.000 0.239 338 S C 1.159 175.776 174.600 0.028 0.000 1.054 338 S CA 1.198 59.409 58.200 0.019 0.000 1.035 338 S CB -0.311 62.904 63.200 0.025 0.000 0.840 338 S HN 0.547 nan 8.310 nan 0.000 0.475 339 K N 0.217 120.660 120.400 0.072 0.000 2.361 339 K HA 0.273 4.411 4.320 -0.303 0.000 0.194 339 K C 1.488 178.064 176.600 -0.041 0.000 1.032 339 K CA 0.739 57.095 56.287 0.116 0.000 1.048 339 K CB -0.060 32.627 32.500 0.311 0.000 0.842 339 K HN 0.534 nan 8.250 nan 0.000 0.526 340 G N 0.971 109.710 108.800 -0.101 0.000 2.159 340 G HA2 -0.249 3.529 3.960 -0.303 0.000 0.227 340 G HA3 -0.249 3.529 3.960 -0.303 0.000 0.227 340 G C -0.439 174.202 174.900 -0.433 0.000 0.986 340 G CA -0.268 44.665 45.100 -0.279 0.000 0.651 340 G HN 0.217 nan 8.290 nan 0.000 0.523 341 Y N 1.585 121.857 120.300 -0.048 0.000 2.361 341 Y HA 0.537 4.910 4.550 -0.295 0.000 0.332 341 Y C 1.114 176.956 175.900 -0.096 0.000 1.101 341 Y CA -0.811 57.248 58.100 -0.068 0.000 1.137 341 Y CB 1.024 39.481 38.460 -0.006 0.000 1.207 341 Y HN 0.110 nan 8.280 nan 0.000 0.463 342 K N 3.091 123.443 120.400 -0.080 0.000 2.270 342 K HA 0.481 4.619 4.320 -0.303 0.000 0.276 342 K C -1.244 175.371 176.600 0.024 0.000 1.023 342 K CA -0.643 55.546 56.287 -0.162 0.000 0.955 342 K CB 1.093 33.280 32.500 -0.522 0.000 0.975 342 K HN 0.405 nan 8.250 nan 0.000 0.471 343 L N 2.710 123.970 121.223 0.062 0.000 2.388 343 L HA 0.414 4.572 4.340 -0.303 0.000 0.264 343 L C -1.378 175.563 176.870 0.118 0.000 0.998 343 L CA -0.907 54.008 54.840 0.125 0.000 0.817 343 L CB 1.739 43.836 42.059 0.064 0.000 1.338 343 L HN 0.629 nan 8.230 nan 0.000 0.414 344 L N 2.500 123.790 121.223 0.111 0.000 2.400 344 L HA 0.752 4.910 4.340 -0.303 0.000 0.264 344 L C -2.129 174.662 176.870 -0.132 0.000 1.061 344 L CA -1.860 53.002 54.840 0.036 0.000 0.799 344 L CB -0.345 41.728 42.059 0.024 0.000 1.240 344 L HN 0.471 nan 8.230 nan 0.000 0.461 345 P HA 0.023 nan 4.420 nan 0.000 0.264 345 P C -2.229 174.660 177.300 -0.685 0.000 1.179 345 P CA -0.805 61.951 63.100 -0.574 0.000 0.763 345 P CB 0.037 31.146 31.700 -0.986 0.000 0.806 346 P HA -0.188 nan 4.420 nan 0.000 0.218 346 P C 0.989 178.142 177.300 -0.245 0.000 1.150 346 P CA 1.791 64.728 63.100 -0.270 0.000 0.841 346 P CB -0.654 30.971 31.700 -0.125 0.000 0.784 347 Y N -2.027 118.211 120.300 -0.104 0.000 2.462 347 Y HA 0.507 4.877 4.550 -0.301 0.000 0.293 347 Y C 0.310 176.069 175.900 -0.236 0.000 1.195 347 Y CA -1.276 56.739 58.100 -0.142 0.000 1.276 347 Y CB -0.796 37.596 38.460 -0.114 0.000 1.082 347 Y HN -0.165 nan 8.280 nan 0.000 0.514 348 L N 0.867 121.917 121.223 -0.288 0.000 2.516 348 L HA 0.695 4.853 4.340 -0.303 0.000 0.267 348 L C -1.408 175.277 176.870 -0.308 0.000 0.957 348 L CA -0.835 53.804 54.840 -0.335 0.000 0.860 348 L CB 1.474 43.225 42.059 -0.513 0.000 1.265 348 L HN -0.026 nan 8.230 nan 0.000 0.403 349 R N 2.849 123.179 120.500 -0.284 0.000 2.947 349 R HA 0.854 5.013 4.340 -0.303 0.000 0.253 349 R C -1.551 174.591 176.300 -0.265 0.000 1.208 349 R CA -0.878 55.079 56.100 -0.239 0.000 1.012 349 R CB 2.022 32.210 30.300 -0.186 0.000 1.267 349 R HN 0.422 nan 8.270 nan 0.000 0.473 350 V N 1.604 121.371 119.914 -0.245 0.000 2.760 350 V HA 0.488 4.426 4.120 -0.303 0.000 0.309 350 V C -0.707 175.225 176.094 -0.270 0.000 1.077 350 V CA -0.862 61.280 62.300 -0.264 0.000 0.910 350 V CB 2.659 34.315 31.823 -0.279 0.000 1.008 350 V HN 0.476 nan 8.190 nan 0.000 0.424 351 I N 3.757 124.182 120.570 -0.241 0.000 2.465 351 I HA 0.492 4.480 4.170 -0.303 0.000 0.291 351 I C -0.783 175.215 176.117 -0.198 0.000 1.014 351 I CA -0.359 60.810 61.300 -0.217 0.000 1.093 351 I CB 1.971 39.897 38.000 -0.122 0.000 1.267 351 I HN 0.665 nan 8.210 nan 0.000 0.431 352 Q N 6.375 126.022 119.800 -0.255 0.000 2.644 352 Q HA 0.447 4.605 4.340 -0.303 0.000 0.245 352 Q C -0.508 175.470 176.000 -0.037 0.000 1.064 352 Q CA -0.383 55.331 55.803 -0.149 0.000 0.860 352 Q CB 1.290 29.896 28.738 -0.221 0.000 1.145 352 Q HN 0.851 nan 8.270 nan 0.000 0.515 353 G N 2.981 111.801 108.800 0.034 0.000 2.468 353 G HA2 0.519 4.297 3.960 -0.303 0.000 0.320 353 G HA3 0.519 4.297 3.960 -0.303 0.000 0.320 353 G C -0.781 174.201 174.900 0.136 0.000 1.137 353 G CA -0.097 45.033 45.100 0.049 0.000 0.984 353 G HN 0.490 nan 8.290 nan 0.000 0.462 354 D N 1.543 121.987 120.400 0.072 0.000 2.516 354 D HA 0.177 4.635 4.640 -0.303 0.000 0.168 354 D C 0.625 176.957 176.300 0.054 0.000 0.803 354 D CA 0.527 54.576 54.000 0.082 0.000 1.087 354 D CB -0.222 40.634 40.800 0.094 0.000 4.924 354 D HN 1.599 nan 8.370 nan 0.000 0.512 355 G N 1.581 110.407 108.800 0.043 0.000 2.225 355 G HA2 -0.192 3.587 3.960 -0.303 0.000 0.267 355 G HA3 -0.192 3.587 3.960 -0.303 0.000 0.267 355 G C 0.139 175.051 174.900 0.019 0.000 1.024 355 G CA 0.592 45.711 45.100 0.031 0.000 0.784 355 G HN 0.905 nan 8.290 nan 0.000 0.507 356 V N 1.279 121.197 119.914 0.006 0.000 2.347 356 V HA 0.657 4.595 4.120 -0.303 0.000 0.280 356 V C -0.030 176.033 176.094 -0.051 0.000 1.021 356 V CA -0.086 62.199 62.300 -0.025 0.000 0.847 356 V CB 1.543 33.356 31.823 -0.016 0.000 0.990 356 V HN 0.600 nan 8.190 nan 0.000 0.444 357 D N 2.817 123.181 120.400 -0.059 0.000 2.610 357 D HA 0.326 4.784 4.640 -0.303 0.000 0.271 357 D C 0.938 177.201 176.300 -0.062 0.000 1.174 357 D CA -0.884 53.092 54.000 -0.041 0.000 0.949 357 D CB 1.467 42.265 40.800 -0.003 0.000 1.430 357 D HN 0.312 nan 8.370 nan 0.000 0.467 358 I N 0.049 120.607 120.570 -0.020 0.000 2.194 358 I HA -0.310 3.679 4.170 -0.303 0.000 0.246 358 I C 1.075 177.155 176.117 -0.062 0.000 1.093 358 I CA 1.560 62.842 61.300 -0.030 0.000 1.355 358 I CB -0.112 37.917 38.000 0.047 0.000 1.046 358 I HN 0.279 nan 8.210 nan 0.000 0.413 359 N N 0.247 118.925 118.700 -0.037 0.000 2.051 359 N HA -0.165 4.393 4.740 -0.303 0.000 0.192 359 N C 1.836 177.307 175.510 -0.066 0.000 1.049 359 N CA 2.127 55.150 53.050 -0.045 0.000 0.845 359 N CB -0.970 37.507 38.487 -0.018 0.000 1.031 359 N HN 0.312 nan 8.380 nan 0.000 0.425 360 T N 2.368 116.888 114.554 -0.058 0.000 2.685 360 T HA -0.146 4.022 4.350 -0.303 0.000 0.268 360 T C 2.061 176.684 174.700 -0.128 0.000 1.034 360 T CA 0.900 62.961 62.100 -0.065 0.000 1.149 360 T CB -0.464 68.380 68.868 -0.039 0.000 0.860 360 T HN 0.092 nan 8.240 nan 0.000 0.449 361 L N 0.966 122.071 121.223 -0.197 0.000 1.997 361 L HA -0.221 3.937 4.340 -0.303 0.000 0.216 361 L C 2.618 179.275 176.870 -0.354 0.000 1.074 361 L CA 2.219 56.832 54.840 -0.377 0.000 0.763 361 L CB -0.578 41.239 42.059 -0.402 0.000 0.890 361 L HN 0.270 nan 8.230 nan 0.000 0.434 362 Q N -0.477 119.176 119.800 -0.246 0.000 2.170 362 Q HA -0.250 3.908 4.340 -0.303 0.000 0.203 362 Q C 2.009 177.880 176.000 -0.215 0.000 0.976 362 Q CA 1.995 57.658 55.803 -0.233 0.000 0.858 362 Q CB -0.101 28.562 28.738 -0.126 0.000 0.907 362 Q HN 0.624 nan 8.270 nan 0.000 0.433 363 E N -0.531 119.585 120.200 -0.140 0.000 2.204 363 E HA -0.141 4.027 4.350 -0.303 0.000 0.194 363 E C 1.546 178.095 176.600 -0.084 0.000 0.989 363 E CA 0.777 57.126 56.400 -0.086 0.000 0.824 363 E CB 0.082 29.755 29.700 -0.046 0.000 0.756 363 E HN 0.410 nan 8.360 nan 0.000 0.477 364 I N 0.476 120.980 120.570 -0.110 0.000 2.277 364 I HA -0.156 3.833 4.170 -0.303 0.000 0.243 364 I C 2.588 178.667 176.117 -0.063 0.000 1.094 364 I CA 0.922 62.204 61.300 -0.030 0.000 1.393 364 I CB -1.195 36.856 38.000 0.085 0.000 1.078 364 I HN 0.084 nan 8.210 nan 0.000 0.417 365 V N -1.447 118.320 119.914 -0.244 0.000 2.667 365 V HA -0.071 3.867 4.120 -0.303 0.000 0.252 365 V C 2.280 178.067 176.094 -0.511 0.000 1.065 365 V CA 1.378 63.447 62.300 -0.386 0.000 1.083 365 V CB -0.660 30.768 31.823 -0.658 0.000 0.692 365 V HN 0.281 nan 8.190 nan 0.000 0.468 366 E N 1.672 121.581 120.200 -0.485 0.000 2.076 366 E HA -0.028 4.140 4.350 -0.303 0.000 0.190 366 E C 2.248 178.876 176.600 0.047 0.000 0.979 366 E CA 1.447 57.785 56.400 -0.104 0.000 0.807 366 E CB -0.400 29.294 29.700 -0.010 0.000 0.761 366 E HN 0.651 nan 8.360 nan 0.000 0.454 367 G N 0.547 109.353 108.800 0.010 0.000 2.422 367 G HA2 -0.223 3.555 3.960 -0.303 0.000 0.218 367 G HA3 -0.223 3.555 3.960 -0.303 0.000 0.218 367 G C 1.638 176.614 174.900 0.128 0.000 1.140 367 G CA 0.473 45.615 45.100 0.070 0.000 0.775 367 G HN 0.192 nan 8.290 nan 0.000 0.545 368 M N -0.477 119.196 119.600 0.122 0.000 2.394 368 M HA 0.124 4.423 4.480 -0.303 0.000 0.264 368 M C 2.444 178.917 176.300 0.288 0.000 1.073 368 M CA 0.841 56.275 55.300 0.223 0.000 1.111 368 M CB 0.058 32.765 32.600 0.179 0.000 1.401 368 M HN 0.149 nan 8.290 nan 0.000 0.448 369 K N -0.119 120.422 120.400 0.234 0.000 2.098 369 K HA -0.113 4.025 4.320 -0.303 0.000 0.203 369 K C 1.773 178.558 176.600 0.309 0.000 1.051 369 K CA 1.084 57.543 56.287 0.288 0.000 0.957 369 K CB 0.143 32.835 32.500 0.321 0.000 0.738 369 K HN 0.379 nan 8.250 nan 0.000 0.447 370 Q N 0.187 120.122 119.800 0.226 0.000 2.170 370 Q HA -0.095 4.063 4.340 -0.303 0.000 0.203 370 Q C 1.592 177.686 176.000 0.156 0.000 0.976 370 Q CA 1.060 56.966 55.803 0.172 0.000 0.858 370 Q CB 0.189 29.006 28.738 0.132 0.000 0.907 370 Q HN 0.008 nan 8.270 nan 0.000 0.433 371 K N 0.388 120.907 120.400 0.200 0.000 2.418 371 K HA 0.034 4.173 4.320 -0.303 0.000 0.195 371 K C -0.022 176.628 176.600 0.084 0.000 1.035 371 K CA 0.293 56.697 56.287 0.194 0.000 1.003 371 K CB 0.477 33.187 32.500 0.350 0.000 0.793 371 K HN -0.049 nan 8.250 nan 0.000 0.494 372 K N -1.106 119.399 120.400 0.174 0.000 3.466 372 K HA -0.150 3.988 4.320 -0.303 0.000 0.276 372 K C -0.249 176.356 176.600 0.009 0.000 1.128 372 K CA 0.295 56.684 56.287 0.171 0.000 0.829 372 K CB -1.956 30.470 32.500 -0.123 0.000 1.334 372 K HN 0.243 nan 8.250 nan 0.000 0.461 373 W N -0.035 121.413 121.300 0.246 0.000 2.901 373 W HA 0.285 4.762 4.660 -0.305 0.000 0.281 373 W C 0.158 176.747 176.519 0.117 0.000 1.167 373 W CA 0.561 57.998 57.345 0.153 0.000 1.506 373 W CB 0.898 30.413 29.460 0.090 0.000 0.985 373 W HN 0.285 nan 8.180 nan 0.000 0.590 374 S N 0.892 116.754 115.700 0.270 0.000 3.027 374 S HA -0.144 4.145 4.470 -0.303 0.000 0.809 374 S C 0.377 175.062 174.600 0.141 0.000 0.729 374 S CA -0.110 58.172 58.200 0.137 0.000 1.515 374 S CB -0.978 62.324 63.200 0.170 0.000 1.062 374 S HN 0.176 nan 8.310 nan 0.000 0.682 375 I N 4.571 125.205 120.570 0.108 0.000 3.055 375 I HA -0.145 3.843 4.170 -0.303 0.000 0.277 375 I C 1.998 178.173 176.117 0.096 0.000 1.306 375 I CA 1.708 63.087 61.300 0.132 0.000 1.426 375 I CB -1.721 36.380 38.000 0.169 0.000 1.081 375 I HN 0.780 nan 8.210 nan 0.000 0.502 376 E N 0.614 120.860 120.200 0.077 0.000 2.230 376 E HA -0.070 4.098 4.350 -0.303 0.000 0.192 376 E C 1.496 178.105 176.600 0.015 0.000 0.987 376 E CA 0.264 56.695 56.400 0.051 0.000 0.841 376 E CB -0.181 29.548 29.700 0.049 0.000 0.783 376 E HN 0.513 nan 8.360 nan 0.000 0.481 377 N N 1.259 119.973 118.700 0.024 0.000 2.142 377 N HA -0.049 4.509 4.740 -0.303 0.000 0.186 377 N C 0.602 176.042 175.510 -0.117 0.000 1.023 377 N CA 0.818 53.849 53.050 -0.032 0.000 0.852 377 N CB 0.222 38.713 38.487 0.008 0.000 0.998 377 N HN -0.002 nan 8.380 nan 0.000 0.424 378 V N 0.899 120.730 119.914 -0.138 0.000 2.630 378 V HA 0.424 4.362 4.120 -0.303 0.000 0.305 378 V C 0.007 175.913 176.094 -0.313 0.000 1.046 378 V CA -0.728 61.392 62.300 -0.301 0.000 0.934 378 V CB 1.829 33.387 31.823 -0.442 0.000 1.003 378 V HN 0.241 nan 8.190 nan 0.000 0.451 379 S N 2.560 118.000 115.700 -0.434 0.000 2.541 379 S HA 0.841 5.129 4.470 -0.303 0.000 0.280 379 S C -1.165 173.149 174.600 -0.477 0.000 1.112 379 S CA -0.652 57.397 58.200 -0.252 0.000 0.925 379 S CB 1.576 64.738 63.200 -0.064 0.000 1.067 379 S HN 0.279 nan 8.310 nan 0.000 0.479 380 F N 0.593 120.493 119.950 -0.083 0.000 2.509 380 F HA 0.863 5.331 4.527 -0.098 0.000 0.334 380 F C 1.033 176.670 175.800 -0.271 0.000 1.060 380 F CA -0.574 57.334 58.000 -0.154 0.000 0.997 380 F CB 1.581 40.491 39.000 -0.150 0.000 1.271 380 F HN 0.964 nan 8.300 nan 0.000 0.488 381 G N 0.070 108.734 108.800 -0.227 0.000 2.739 381 G HA2 0.478 4.256 3.960 -0.303 0.000 0.291 381 G HA3 0.478 4.256 3.960 -0.303 0.000 0.291 381 G C -1.742 172.764 174.900 -0.658 0.000 1.478 381 G CA -0.561 44.033 45.100 -0.842 0.000 1.062 381 G HN 0.621 nan 8.290 nan 0.000 0.532 382 S N 0.716 116.073 115.700 -0.571 0.000 2.532 382 S HA 0.822 5.110 4.470 -0.303 0.000 0.301 382 S C 0.885 175.365 174.600 -0.200 0.000 1.083 382 S CA 0.237 58.264 58.200 -0.289 0.000 1.025 382 S CB 1.707 64.781 63.200 -0.210 0.000 1.056 382 S HN 0.991 nan 8.310 nan 0.000 0.494 383 G N 2.681 111.465 108.800 -0.027 0.000 2.472 383 G HA2 0.325 4.103 3.960 -0.303 0.000 0.199 383 G HA3 0.325 4.103 3.960 -0.303 0.000 0.199 383 G C 1.178 176.109 174.900 0.051 0.000 1.547 383 G CA 0.499 45.646 45.100 0.078 0.000 0.701 383 G HN 0.881 nan 8.290 nan 0.000 0.623 384 G N 1.261 110.096 108.800 0.059 0.000 2.453 384 G HA2 0.099 3.877 3.960 -0.303 0.000 0.215 384 G HA3 0.099 3.877 3.960 -0.303 0.000 0.215 384 G C 2.083 177.013 174.900 0.050 0.000 1.201 384 G CA 1.939 47.074 45.100 0.059 0.000 0.784 384 G HN 0.798 nan 8.290 nan 0.000 0.545 385 A N 0.260 123.100 122.820 0.033 0.000 1.986 385 A HA -0.012 4.127 4.320 -0.303 0.000 0.220 385 A C 2.328 179.924 177.584 0.019 0.000 1.171 385 A CA 1.507 53.563 52.037 0.031 0.000 0.640 385 A CB -0.376 18.633 19.000 0.015 0.000 0.811 385 A HN 0.372 nan 8.150 nan 0.000 0.451 386 L N -1.143 120.069 121.223 -0.018 0.000 2.044 386 L HA -0.033 4.125 4.340 -0.303 0.000 0.205 386 L C 2.233 179.086 176.870 -0.029 0.000 1.075 386 L CA 1.543 56.347 54.840 -0.060 0.000 0.747 386 L CB -0.292 41.663 42.059 -0.174 0.000 0.903 386 L HN 0.358 nan 8.230 nan 0.000 0.435 387 L N -1.140 120.092 121.223 0.016 0.000 2.286 387 L HA 0.048 4.206 4.340 -0.303 0.000 0.203 387 L C 1.088 178.086 176.870 0.214 0.000 1.068 387 L CA 0.393 55.288 54.840 0.092 0.000 0.811 387 L CB 0.066 42.181 42.059 0.093 0.000 0.989 387 L HN 0.319 nan 8.230 nan 0.000 0.467 388 Q N -0.659 119.233 119.800 0.154 0.000 2.286 388 Q HA 0.244 4.403 4.340 -0.303 0.000 0.250 388 Q C -0.030 176.059 176.000 0.147 0.000 1.021 388 Q CA -0.344 55.557 55.803 0.163 0.000 0.930 388 Q CB 1.124 29.925 28.738 0.106 0.000 1.266 388 Q HN -0.117 nan 8.270 nan 0.000 0.491 389 K N -0.260 120.224 120.400 0.141 0.000 3.338 389 K HA -0.136 4.003 4.320 -0.303 0.000 0.292 389 K C -1.411 175.275 176.600 0.142 0.000 1.268 389 K CA 0.289 56.645 56.287 0.116 0.000 0.853 389 K CB -1.192 31.358 32.500 0.083 0.000 1.342 389 K HN 0.410 nan 8.250 nan 0.000 0.501 390 L N -0.042 121.320 121.223 0.232 0.000 2.333 390 L HA 0.559 4.717 4.340 -0.303 0.000 0.269 390 L C 0.531 177.606 176.870 0.340 0.000 1.010 390 L CA -0.173 54.839 54.840 0.287 0.000 0.818 390 L CB 2.006 44.286 42.059 0.370 0.000 1.306 390 L HN 0.028 nan 8.230 nan 0.000 0.430 391 T N 0.908 115.567 114.554 0.175 0.000 2.906 391 T HA 0.382 4.550 4.350 -0.303 0.000 0.295 391 T C 0.928 175.361 174.700 -0.445 0.000 1.075 391 T CA -0.627 61.371 62.100 -0.170 0.000 1.005 391 T CB 2.204 70.995 68.868 -0.127 0.000 1.136 391 T HN 0.465 nan 8.240 nan 0.000 0.498 392 R N 0.343 120.252 120.500 -0.986 0.000 2.189 392 R HA -0.055 4.104 4.340 -0.303 0.000 0.218 392 R C 1.109 177.212 176.300 -0.329 0.000 1.074 392 R CA 0.904 56.471 56.100 -0.888 0.000 0.991 392 R CB 0.042 29.693 30.300 -1.082 0.000 0.883 392 R HN 0.527 nan 8.270 nan 0.000 0.457 393 D N 0.194 120.439 120.400 -0.258 0.000 2.178 393 D HA -0.077 4.381 4.640 -0.303 0.000 0.202 393 D C -0.044 176.215 176.300 -0.070 0.000 0.974 393 D CA 0.779 54.698 54.000 -0.134 0.000 0.841 393 D CB 0.092 40.828 40.800 -0.107 0.000 0.953 393 D HN 0.002 nan 8.370 nan 0.000 0.478 394 L N 0.975 122.163 121.223 -0.058 0.000 2.367 394 L HA 0.117 4.276 4.340 -0.303 0.000 0.275 394 L C 1.407 178.259 176.870 -0.030 0.000 1.129 394 L CA 0.323 55.141 54.840 -0.037 0.000 0.839 394 L CB 0.498 42.481 42.059 -0.126 0.000 1.133 394 L HN 0.085 nan 8.230 nan 0.000 0.453 395 L N 1.013 122.238 121.223 0.003 0.000 4.800 395 L HA -0.319 3.839 4.340 -0.303 0.000 0.400 395 L C 0.518 177.376 176.870 -0.020 0.000 0.857 395 L CA 0.525 55.374 54.840 0.015 0.000 1.908 395 L CB -2.152 39.929 42.059 0.037 0.000 1.598 395 L HN 0.984 nan 8.230 nan 0.000 0.593 396 N N -0.979 117.698 118.700 -0.039 0.000 2.698 396 N HA -0.197 4.361 4.740 -0.303 0.000 0.258 396 N C 0.359 175.798 175.510 -0.119 0.000 0.978 396 N CA 0.576 53.582 53.050 -0.074 0.000 0.777 396 N CB -1.167 37.284 38.487 -0.061 0.000 0.907 396 N HN 0.396 nan 8.380 nan 0.000 0.543 397 C N 0.954 120.199 119.300 -0.092 0.000 2.601 397 C HA 0.269 4.547 4.460 -0.303 0.000 0.405 397 C C 1.125 175.990 174.990 -0.208 0.000 1.441 397 C CA -0.136 58.792 59.018 -0.149 0.000 1.555 397 C CB -0.585 27.274 27.740 0.198 0.000 2.450 397 C HN 0.495 nan 8.230 nan 0.000 0.614 398 S N 3.105 118.543 115.700 -0.436 0.000 2.571 398 S HA 0.666 4.955 4.470 -0.303 0.000 0.284 398 S C -1.046 173.310 174.600 -0.407 0.000 1.128 398 S CA -0.465 57.566 58.200 -0.282 0.000 0.970 398 S CB 0.783 63.860 63.200 -0.205 0.000 1.039 398 S HN 0.605 nan 8.310 nan 0.000 0.485 399 F N 4.734 124.528 119.950 -0.259 0.000 2.402 399 F HA 0.742 5.087 4.527 -0.304 0.000 0.355 399 F C -0.542 175.153 175.800 -0.175 0.000 1.123 399 F CA -0.457 57.420 58.000 -0.206 0.000 1.021 399 F CB 0.610 39.688 39.000 0.130 0.000 1.160 399 F HN 0.511 nan 8.300 nan 0.000 0.451 400 K N 5.067 125.241 120.400 -0.376 0.000 2.480 400 K HA 0.476 4.615 4.320 -0.303 0.000 0.258 400 K C -1.630 174.994 176.600 0.039 0.000 0.990 400 K CA -0.823 55.452 56.287 -0.020 0.000 0.857 400 K CB 1.709 34.230 32.500 0.035 0.000 1.384 400 K HN 0.598 nan 8.250 nan 0.000 0.446 401 C N 1.189 120.637 119.300 0.247 0.000 2.369 401 C HA 0.541 4.820 4.460 -0.303 0.000 0.358 401 C C 1.196 176.402 174.990 0.360 0.000 1.274 401 C CA 0.262 59.463 59.018 0.306 0.000 1.935 401 C CB -0.430 27.490 27.740 0.301 0.000 2.431 401 C HN 0.917 nan 8.230 nan 0.000 0.545 402 S N 3.223 119.170 115.700 0.412 0.000 2.649 402 S HA 0.240 4.528 4.470 -0.303 0.000 0.246 402 S C -0.373 174.405 174.600 0.297 0.000 1.057 402 S CA -0.122 58.265 58.200 0.312 0.000 1.051 402 S CB 0.022 63.307 63.200 0.142 0.000 1.018 402 S HN 0.875 nan 8.310 nan 0.000 0.569 403 Y N 0.389 120.797 120.300 0.180 0.000 2.492 403 Y HA 0.723 5.091 4.550 -0.303 0.000 0.346 403 Y C -1.509 174.442 175.900 0.085 0.000 0.997 403 Y CA -1.085 57.013 58.100 -0.003 0.000 1.025 403 Y CB 2.227 40.455 38.460 -0.388 0.000 1.263 403 Y HN 0.089 nan 8.280 nan 0.000 0.454 404 V N 5.842 125.464 119.914 -0.486 0.000 2.852 404 V HA 0.472 4.410 4.120 -0.303 0.000 0.300 404 V C -1.908 173.872 176.094 -0.523 0.000 1.205 404 V CA -0.694 61.408 62.300 -0.330 0.000 0.940 404 V CB 2.172 33.927 31.823 -0.113 0.000 1.047 404 V HN 0.597 nan 8.190 nan 0.000 0.429 405 V N 5.253 124.944 119.914 -0.372 0.000 2.318 405 V HA 0.471 4.409 4.120 -0.303 0.000 0.271 405 V C 0.346 176.331 176.094 -0.182 0.000 1.030 405 V CA -0.119 62.010 62.300 -0.286 0.000 0.844 405 V CB 1.392 33.114 31.823 -0.169 0.000 1.015 405 V HN 0.914 nan 8.190 nan 0.000 0.460 406 T N 5.168 119.628 114.554 -0.157 0.000 2.809 406 T HA 0.351 4.519 4.350 -0.303 0.000 0.296 406 T C 0.446 175.095 174.700 -0.084 0.000 1.015 406 T CA -0.208 61.821 62.100 -0.117 0.000 0.954 406 T CB -0.026 68.785 68.868 -0.094 0.000 0.950 406 T HN 0.757 nan 8.240 nan 0.000 0.450 407 N N 2.719 121.374 118.700 -0.075 0.000 2.780 407 N HA -0.211 4.348 4.740 -0.303 0.000 0.248 407 N C 1.051 176.537 175.510 -0.041 0.000 1.102 407 N CA 1.479 54.499 53.050 -0.051 0.000 0.697 407 N CB -1.266 37.197 38.487 -0.040 0.000 1.028 407 N HN 1.182 nan 8.380 nan 0.000 0.554 408 G N -1.263 107.510 108.800 -0.044 0.000 2.320 408 G HA2 -0.374 3.404 3.960 -0.303 0.000 0.242 408 G HA3 -0.374 3.404 3.960 -0.303 0.000 0.242 408 G C 0.853 175.736 174.900 -0.028 0.000 1.033 408 G CA 0.609 45.692 45.100 -0.028 0.000 0.620 408 G HN 0.423 nan 8.290 nan 0.000 0.517 409 L N -0.668 120.531 121.223 -0.041 0.000 2.425 409 L HA 0.521 4.679 4.340 -0.303 0.000 0.215 409 L C 1.357 178.185 176.870 -0.070 0.000 1.065 409 L CA 1.315 56.134 54.840 -0.035 0.000 0.842 409 L CB -1.980 40.064 42.059 -0.026 0.000 1.033 409 L HN 1.854 nan 8.230 nan 0.000 0.474 410 G N 1.929 110.643 108.800 -0.144 0.000 3.000 410 G HA2 -0.023 3.755 3.960 -0.303 0.000 0.686 410 G HA3 -0.023 3.755 3.960 -0.303 0.000 0.686 410 G C -0.430 174.314 174.900 -0.261 0.000 1.114 410 G CA -0.050 44.859 45.100 -0.318 0.000 0.902 410 G HN 0.821 nan 8.290 nan 0.000 0.564 411 V N -0.425 119.320 119.914 -0.282 0.000 2.769 411 V HA 0.794 4.733 4.120 -0.303 0.000 0.312 411 V C 0.119 176.173 176.094 -0.067 0.000 1.061 411 V CA -1.824 60.406 62.300 -0.116 0.000 0.931 411 V CB 2.279 34.074 31.823 -0.046 0.000 1.010 411 V HN 0.747 nan 8.190 nan 0.000 0.433 412 N N 2.432 121.155 118.700 0.037 0.000 2.405 412 N HA 0.366 4.925 4.740 -0.303 0.000 0.260 412 N C -0.042 175.533 175.510 0.107 0.000 1.152 412 N CA 0.079 53.177 53.050 0.079 0.000 0.948 412 N CB 1.291 39.778 38.487 -0.001 0.000 1.111 412 N HN 0.665 nan 8.380 nan 0.000 0.485 413 V N 3.204 123.227 119.914 0.183 0.000 3.556 413 V HA 0.635 4.573 4.120 -0.303 0.000 0.292 413 V C -0.017 176.400 176.094 0.539 0.000 1.030 413 V CA -0.172 62.316 62.300 0.314 0.000 1.009 413 V CB 0.233 32.191 31.823 0.225 0.000 1.242 413 V HN 0.749 nan 8.190 nan 0.000 0.431 414 F N -1.184 118.815 119.950 0.081 0.000 2.787 414 F HA 0.337 4.682 4.527 -0.303 0.000 0.333 414 F C -1.265 174.577 175.800 0.070 0.000 1.124 414 F CA -1.524 56.525 58.000 0.081 0.000 0.862 414 F CB 0.450 39.481 39.000 0.052 0.000 1.824 414 F HN 0.513 nan 8.300 nan 0.000 0.460 415 K N 1.441 121.728 120.400 -0.190 0.000 2.259 415 K HA 0.722 4.860 4.320 -0.303 0.000 0.249 415 K C -1.876 174.559 176.600 -0.275 0.000 0.942 415 K CA -0.790 55.310 56.287 -0.312 0.000 0.816 415 K CB 2.420 34.863 32.500 -0.096 0.000 1.155 415 K HN 0.686 nan 8.250 nan 0.000 0.428 416 D N 2.820 123.050 120.400 -0.283 0.000 2.527 416 D HA 0.325 4.783 4.640 -0.303 0.000 0.242 416 D C -2.338 173.917 176.300 -0.076 0.000 1.285 416 D CA -1.238 52.695 54.000 -0.112 0.000 0.886 416 D CB 1.138 41.906 40.800 -0.053 0.000 1.402 416 D HN 0.429 nan 8.370 nan 0.000 0.528 417 P HA 0.201 nan 4.420 nan 0.000 0.285 417 P C -0.156 177.135 177.300 -0.016 0.000 1.282 417 P CA -0.404 62.677 63.100 -0.033 0.000 0.778 417 P CB 0.585 32.271 31.700 -0.023 0.000 1.222 418 V N -5.100 114.807 119.914 -0.012 0.000 2.786 418 V HA 0.785 4.723 4.120 -0.303 0.000 0.326 418 V C -0.014 176.078 176.094 -0.004 0.000 1.185 418 V CA 0.327 62.625 62.300 -0.004 0.000 1.355 418 V CB -0.102 31.719 31.823 -0.003 0.000 1.275 418 V HN 0.633 nan 8.190 nan 0.000 0.611 419 A N 0.731 123.548 122.820 -0.004 0.000 2.458 419 A HA 0.468 4.606 4.320 -0.303 0.000 0.152 419 A C 0.202 177.784 177.584 -0.003 0.000 1.790 419 A CA 0.779 52.813 52.037 -0.004 0.000 1.327 419 A CB 0.460 19.456 19.000 -0.008 0.000 1.572 419 A HN 0.585 nan 8.150 nan 0.000 0.416 420 D N -0.097 120.302 120.400 -0.002 0.000 2.934 420 D HA 0.241 4.699 4.640 -0.303 0.000 0.249 420 D C -2.461 173.842 176.300 0.005 0.000 1.293 420 D CA -0.800 53.200 54.000 0.000 0.000 0.812 420 D CB 1.347 42.144 40.800 -0.004 0.000 1.439 420 D HN 0.079 nan 8.370 nan 0.000 0.555 421 P HA -0.053 nan 4.420 nan 0.000 0.244 421 P C 0.768 178.083 177.300 0.026 0.000 1.211 421 P CA 0.450 63.562 63.100 0.020 0.000 0.760 421 P CB 0.088 31.801 31.700 0.022 0.000 0.961 422 N N 0.559 119.270 118.700 0.018 0.000 2.395 422 N HA -0.014 4.544 4.740 -0.303 0.000 0.175 422 N C 1.364 176.886 175.510 0.020 0.000 1.029 422 N CA 0.080 53.141 53.050 0.019 0.000 0.897 422 N CB 0.001 38.494 38.487 0.011 0.000 0.991 422 N HN -0.068 nan 8.380 nan 0.000 0.441 423 K N 1.594 122.004 120.400 0.016 0.000 2.591 423 K HA 0.023 4.161 4.320 -0.303 0.000 0.197 423 K C 0.760 177.381 176.600 0.034 0.000 1.026 423 K CA -0.161 56.135 56.287 0.015 0.000 1.127 423 K CB 0.028 32.530 32.500 0.003 0.000 0.871 423 K HN 0.268 nan 8.250 nan 0.000 0.507 424 R N 0.486 121.019 120.500 0.055 0.000 3.213 424 R HA -0.033 4.125 4.340 -0.303 0.000 0.284 424 R C -0.054 176.324 176.300 0.131 0.000 1.096 424 R CA 0.635 56.794 56.100 0.097 0.000 1.168 424 R CB 0.335 30.704 30.300 0.116 0.000 1.133 424 R HN -0.008 nan 8.270 nan 0.000 0.540 425 S N -1.129 114.699 115.700 0.213 0.000 2.537 425 S HA 0.322 4.610 4.470 -0.303 0.000 0.270 425 S C -1.579 173.163 174.600 0.236 0.000 1.142 425 S CA -0.952 57.403 58.200 0.259 0.000 0.870 425 S CB 1.193 64.559 63.200 0.277 0.000 1.112 425 S HN 0.492 nan 8.310 nan 0.000 0.466 426 K N 2.294 122.761 120.400 0.112 0.000 2.202 426 K HA 0.365 4.504 4.320 -0.303 0.000 0.264 426 K C -0.374 176.189 176.600 -0.061 0.000 1.010 426 K CA -0.439 55.793 56.287 -0.093 0.000 0.940 426 K CB 0.527 32.787 32.500 -0.400 0.000 0.983 426 K HN 0.479 nan 8.250 nan 0.000 0.475 427 K N 0.690 121.016 120.400 -0.122 0.000 2.156 427 K HA 0.431 4.569 4.320 -0.303 0.000 0.254 427 K C 0.214 176.754 176.600 -0.100 0.000 0.950 427 K CA -0.646 55.575 56.287 -0.110 0.000 0.849 427 K CB 1.656 33.999 32.500 -0.261 0.000 1.100 427 K HN 0.810 nan 8.250 nan 0.000 0.434 428 G N 1.692 110.482 108.800 -0.017 0.000 2.682 428 G HA2 -0.319 3.459 3.960 -0.303 0.000 0.256 428 G HA3 -0.319 3.459 3.960 -0.303 0.000 0.256 428 G C -0.763 173.993 174.900 -0.239 0.000 1.333 428 G CA -0.584 44.493 45.100 -0.038 0.000 0.904 428 G HN 0.726 nan 8.290 nan 0.000 0.569 429 R N -0.356 119.813 120.500 -0.552 0.000 2.401 429 R HA 0.456 4.614 4.340 -0.303 0.000 0.299 429 R C 0.469 176.627 176.300 -0.237 0.000 1.064 429 R CA -0.210 55.482 56.100 -0.680 0.000 1.000 429 R CB 0.274 30.055 30.300 -0.865 0.000 0.973 429 R HN 0.446 nan 8.270 nan 0.000 0.438 430 L N 1.302 122.514 121.223 -0.019 0.000 2.400 430 L HA 0.552 4.710 4.340 -0.303 0.000 0.264 430 L C 0.070 176.947 176.870 0.010 0.000 1.061 430 L CA -0.872 53.949 54.840 -0.031 0.000 0.799 430 L CB 1.664 43.674 42.059 -0.081 0.000 1.240 430 L HN 0.779 nan 8.230 nan 0.000 0.461 431 S N 0.934 116.620 115.700 -0.025 0.000 2.543 431 S HA 0.468 4.756 4.470 -0.303 0.000 0.273 431 S C -1.099 173.340 174.600 -0.268 0.000 1.152 431 S CA -0.748 57.398 58.200 -0.091 0.000 0.910 431 S CB 1.628 64.887 63.200 0.098 0.000 1.105 431 S HN 0.479 nan 8.310 nan 0.000 0.465 432 L N 4.078 125.065 121.223 -0.393 0.000 2.282 432 L HA 0.562 4.720 4.340 -0.303 0.000 0.288 432 L C -0.801 175.757 176.870 -0.520 0.000 1.033 432 L CA -0.188 54.469 54.840 -0.305 0.000 0.807 432 L CB 0.617 42.595 42.059 -0.135 0.000 1.209 432 L HN 0.859 nan 8.230 nan 0.000 0.423 433 H N 4.015 123.126 119.070 0.068 0.000 2.855 433 H HA 0.438 4.812 4.556 -0.303 0.000 0.363 433 H C -0.955 174.449 175.328 0.126 0.000 1.185 433 H CA -0.867 55.237 56.048 0.094 0.000 1.174 433 H CB 2.245 32.004 29.762 -0.004 0.000 1.857 433 H HN 0.468 nan 8.280 nan 0.000 0.565 434 R N 1.246 121.890 120.500 0.240 0.000 2.343 434 R HA 0.242 4.400 4.340 -0.303 0.000 0.320 434 R C -0.369 176.013 176.300 0.137 0.000 0.956 434 R CA -0.497 55.620 56.100 0.029 0.000 0.836 434 R CB 0.756 31.021 30.300 -0.058 0.000 1.151 434 R HN 0.787 nan 8.270 nan 0.000 0.450 435 T N 1.626 116.231 114.554 0.084 0.000 2.913 435 T HA 0.227 4.395 4.350 -0.303 0.000 0.297 435 T C -1.310 173.403 174.700 0.021 0.000 1.029 435 T CA -1.458 60.729 62.100 0.144 0.000 1.104 435 T CB 1.290 70.243 68.868 0.141 0.000 0.964 435 T HN 0.477 nan 8.240 nan 0.000 0.532 436 P HA -0.072 nan 4.420 nan 0.000 0.222 436 P C 1.108 178.389 177.300 -0.032 0.000 1.142 436 P CA 0.919 63.994 63.100 -0.040 0.000 0.788 436 P CB -0.184 31.471 31.700 -0.074 0.000 0.767 437 A N -0.880 121.928 122.820 -0.021 0.000 2.195 437 A HA 0.466 4.604 4.320 -0.303 0.000 0.210 437 A C 1.769 179.331 177.584 -0.036 0.000 1.165 437 A CA 0.955 52.979 52.037 -0.021 0.000 0.806 437 A CB -0.634 18.362 19.000 -0.005 0.000 0.847 437 A HN 0.287 nan 8.150 nan 0.000 0.482 438 G N -2.207 106.555 108.800 -0.064 0.000 2.211 438 G HA2 -0.168 3.610 3.960 -0.303 0.000 0.201 438 G HA3 -0.168 3.610 3.960 -0.303 0.000 0.201 438 G C 0.556 175.338 174.900 -0.197 0.000 0.997 438 G CA 0.681 45.716 45.100 -0.109 0.000 0.652 438 G HN 0.728 nan 8.290 nan 0.000 0.500 439 T N -0.767 113.683 114.554 -0.173 0.000 2.861 439 T HA 0.810 4.978 4.350 -0.303 0.000 0.265 439 T C -0.322 174.111 174.700 -0.444 0.000 1.104 439 T CA -0.130 61.836 62.100 -0.223 0.000 0.987 439 T CB 0.597 69.482 68.868 0.029 0.000 2.051 439 T HN 0.195 nan 8.240 nan 0.000 0.570 440 F N -0.386 119.592 119.950 0.046 0.000 2.661 440 F HA 0.826 5.171 4.527 -0.303 0.000 0.347 440 F C -0.161 175.652 175.800 0.022 0.000 1.086 440 F CA -0.762 57.261 58.000 0.037 0.000 1.016 440 F CB 1.707 40.714 39.000 0.012 0.000 1.368 440 F HN 0.294 nan 8.300 nan 0.000 0.505 441 V N 0.147 120.190 119.914 0.215 0.000 2.915 441 V HA 0.406 4.344 4.120 -0.303 0.000 0.282 441 V C -1.445 174.654 176.094 0.008 0.000 1.445 441 V CA -0.326 62.010 62.300 0.059 0.000 0.953 441 V CB 1.854 33.650 31.823 -0.045 0.000 1.140 441 V HN 0.761 nan 8.190 nan 0.000 0.440 442 T N 8.076 122.618 114.554 -0.021 0.000 2.744 442 T HA 0.571 4.739 4.350 -0.303 0.000 0.291 442 T C -0.202 174.460 174.700 -0.063 0.000 0.957 442 T CA -0.193 61.881 62.100 -0.044 0.000 1.002 442 T CB 0.737 69.569 68.868 -0.060 0.000 0.919 442 T HN 0.565 nan 8.240 nan 0.000 0.468 443 L N 4.467 125.674 121.223 -0.026 0.000 2.292 443 L HA 0.475 4.634 4.340 -0.303 0.000 0.284 443 L C 0.840 177.671 176.870 -0.065 0.000 1.065 443 L CA -0.621 54.180 54.840 -0.065 0.000 0.806 443 L CB 0.834 42.853 42.059 -0.067 0.000 1.175 443 L HN 0.728 nan 8.230 nan 0.000 0.431 444 E N 1.895 122.037 120.200 -0.096 0.000 2.396 444 E HA 0.405 4.573 4.350 -0.303 0.000 0.251 444 E C -0.629 175.901 176.600 -0.117 0.000 0.949 444 E CA -0.909 55.418 56.400 -0.121 0.000 0.834 444 E CB 1.251 30.863 29.700 -0.146 0.000 1.309 444 E HN 0.477 nan 8.360 nan 0.000 0.405 445 E N -0.668 119.451 120.200 -0.135 0.000 2.442 445 E HA -0.215 3.953 4.350 -0.303 0.000 0.256 445 E C 0.604 177.126 176.600 -0.130 0.000 1.095 445 E CA 0.419 56.746 56.400 -0.121 0.000 0.747 445 E CB -1.758 27.881 29.700 -0.101 0.000 1.310 445 E HN 0.987 nan 8.360 nan 0.000 0.396 446 G N 0.346 109.036 108.800 -0.183 0.000 2.243 446 G HA2 -0.478 3.300 3.960 -0.303 0.000 0.276 446 G HA3 -0.478 3.300 3.960 -0.303 0.000 0.276 446 G C 0.845 175.680 174.900 -0.110 0.000 0.997 446 G CA 1.315 46.298 45.100 -0.194 0.000 0.693 446 G HN 0.460 nan 8.290 nan 0.000 0.529 447 K N 0.273 120.620 120.400 -0.088 0.000 2.281 447 K HA -0.006 4.132 4.320 -0.303 0.000 0.203 447 K C 2.600 179.168 176.600 -0.054 0.000 1.046 447 K CA 1.469 57.718 56.287 -0.065 0.000 0.938 447 K CB -0.654 31.807 32.500 -0.066 0.000 0.737 447 K HN 0.407 nan 8.250 nan 0.000 0.458 448 G N 0.449 109.233 108.800 -0.027 0.000 2.586 448 G HA2 -0.219 3.560 3.960 -0.303 0.000 0.215 448 G HA3 -0.219 3.560 3.960 -0.303 0.000 0.215 448 G C 1.037 175.927 174.900 -0.016 0.000 1.128 448 G CA 0.472 45.565 45.100 -0.011 0.000 0.774 448 G HN 0.322 nan 8.290 nan 0.000 0.543 449 D N 0.400 120.788 120.400 -0.021 0.000 2.224 449 D HA -0.021 4.438 4.640 -0.303 0.000 0.205 449 D C 1.520 177.802 176.300 -0.030 0.000 0.965 449 D CA 0.219 54.206 54.000 -0.021 0.000 0.852 449 D CB 0.004 40.784 40.800 -0.035 0.000 0.947 449 D HN 0.264 nan 8.370 nan 0.000 0.494 450 L N 2.188 123.389 121.223 -0.037 0.000 2.416 450 L HA 0.116 4.274 4.340 -0.303 0.000 0.243 450 L C 0.148 176.992 176.870 -0.044 0.000 1.373 450 L CA -0.362 54.457 54.840 -0.035 0.000 1.227 450 L CB -0.614 41.428 42.059 -0.029 0.000 1.428 450 L HN -0.240 nan 8.230 nan 0.000 0.425 451 E N 2.925 123.096 120.200 -0.048 0.000 3.379 451 E HA -0.167 4.001 4.350 -0.303 0.000 0.257 451 E C 0.600 177.157 176.600 -0.072 0.000 0.882 451 E CA 1.026 57.385 56.400 -0.068 0.000 0.962 451 E CB 0.123 29.776 29.700 -0.078 0.000 0.900 451 E HN 0.691 nan 8.360 nan 0.000 0.560 452 E N 2.200 122.356 120.200 -0.073 0.000 2.722 452 E HA 0.043 4.212 4.350 -0.303 0.000 0.111 452 E C -0.539 175.991 176.600 -0.118 0.000 0.812 452 E CA -0.220 56.130 56.400 -0.084 0.000 1.457 452 E CB -0.680 28.976 29.700 -0.073 0.000 0.924 452 E HN 0.474 nan 8.360 nan 0.000 0.405 453 Y N 0.469 120.654 120.300 -0.191 0.000 2.666 453 Y HA 0.503 4.872 4.550 -0.303 0.000 0.260 453 Y C 0.959 176.840 175.900 -0.031 0.000 1.089 453 Y CA 0.526 58.533 58.100 -0.154 0.000 1.246 453 Y CB 2.067 40.331 38.460 -0.327 0.000 1.353 453 Y HN 0.424 nan 8.280 nan 0.000 0.558 454 G N 0.081 108.936 108.800 0.091 0.000 2.447 454 G HA2 -0.124 3.654 3.960 -0.303 0.000 0.220 454 G HA3 -0.124 3.654 3.960 -0.303 0.000 0.220 454 G C -1.077 173.935 174.900 0.187 0.000 1.261 454 G CA -0.712 44.472 45.100 0.140 0.000 1.000 454 G HN 0.251 nan 8.290 nan 0.000 0.515 455 H N 0.120 119.334 119.070 0.240 0.000 2.525 455 H HA 0.497 4.872 4.556 -0.303 0.000 0.340 455 H C -0.395 175.061 175.328 0.213 0.000 1.168 455 H CA -0.408 55.783 56.048 0.239 0.000 1.247 455 H CB 1.514 31.370 29.762 0.157 0.000 1.568 455 H HN 0.520 nan 8.280 nan 0.000 0.536 456 D N 1.399 121.949 120.400 0.250 0.000 2.487 456 D HA -0.058 4.400 4.640 -0.303 0.000 0.243 456 D C 0.919 177.254 176.300 0.058 0.000 1.154 456 D CA 0.145 54.119 54.000 -0.043 0.000 0.876 456 D CB 0.703 41.518 40.800 0.025 0.000 1.161 456 D HN 0.413 nan 8.370 nan 0.000 0.478 457 L N 3.318 124.531 121.223 -0.016 0.000 2.599 457 L HA 0.066 4.224 4.340 -0.303 0.000 0.230 457 L C 0.633 177.436 176.870 -0.113 0.000 1.141 457 L CA 0.062 54.913 54.840 0.018 0.000 0.877 457 L CB -0.390 41.709 42.059 0.066 0.000 1.009 457 L HN 0.278 nan 8.230 nan 0.000 0.447 458 L N 1.056 122.245 121.223 -0.057 0.000 2.278 458 L HA 0.237 4.395 4.340 -0.303 0.000 0.287 458 L C 0.044 176.977 176.870 0.105 0.000 1.072 458 L CA -0.432 54.380 54.840 -0.047 0.000 0.819 458 L CB 0.160 42.213 42.059 -0.010 0.000 1.176 458 L HN 0.113 nan 8.230 nan 0.000 0.435 459 H N 1.335 120.478 119.070 0.121 0.000 2.495 459 H HA 0.281 4.656 4.556 -0.302 0.000 0.350 459 H C 0.018 175.418 175.328 0.119 0.000 1.202 459 H CA -0.800 55.320 56.048 0.119 0.000 1.322 459 H CB 1.042 30.892 29.762 0.147 0.000 1.544 459 H HN 0.376 nan 8.280 nan 0.000 0.565 460 T N 1.546 116.241 114.554 0.236 0.000 2.832 460 T HA 0.264 4.432 4.350 -0.303 0.000 0.296 460 T C 1.274 176.078 174.700 0.174 0.000 0.968 460 T CA -0.316 61.883 62.100 0.165 0.000 1.107 460 T CB 0.254 69.187 68.868 0.108 0.000 0.916 460 T HN 0.537 nan 8.240 nan 0.000 0.517 461 V N 1.033 121.057 119.914 0.183 0.000 3.451 461 V HA 0.466 4.404 4.120 -0.303 0.000 0.288 461 V C 0.625 176.864 176.094 0.241 0.000 1.502 461 V CA 0.044 62.459 62.300 0.193 0.000 1.026 461 V CB -0.245 31.709 31.823 0.218 0.000 0.840 461 V HN 0.738 nan 8.190 nan 0.000 0.437 462 F N 0.377 120.338 119.950 0.019 0.000 2.883 462 F HA 0.508 4.853 4.527 -0.302 0.000 0.351 462 F C 0.820 176.612 175.800 -0.013 0.000 0.970 462 F CA -0.680 57.315 58.000 -0.008 0.000 1.130 462 F CB 0.525 39.510 39.000 -0.025 0.000 1.015 462 F HN -0.182 nan 8.300 nan 0.000 0.585 463 K N 3.422 123.734 120.400 -0.147 0.000 2.382 463 K HA -0.252 3.886 4.320 -0.303 0.000 0.244 463 K C -0.136 176.203 176.600 -0.435 0.000 1.068 463 K CA 1.249 57.389 56.287 -0.245 0.000 1.150 463 K CB -0.521 31.920 32.500 -0.099 0.000 0.726 463 K HN 0.524 nan 8.250 nan 0.000 0.486 464 N N 2.106 120.531 118.700 -0.458 0.000 2.650 464 N HA -0.246 4.313 4.740 -0.303 0.000 0.272 464 N C 0.836 176.082 175.510 -0.440 0.000 1.058 464 N CA 1.233 54.046 53.050 -0.395 0.000 0.765 464 N CB -1.232 37.150 38.487 -0.176 0.000 0.902 464 N HN 0.975 nan 8.380 nan 0.000 0.551 465 G N -1.362 106.943 108.800 -0.825 0.000 2.228 465 G HA2 -0.393 3.385 3.960 -0.303 0.000 0.270 465 G HA3 -0.393 3.385 3.960 -0.303 0.000 0.270 465 G C 0.255 174.878 174.900 -0.461 0.000 0.976 465 G CA 1.363 46.080 45.100 -0.639 0.000 0.636 465 G HN 0.550 nan 8.290 nan 0.000 0.542 466 K N -0.273 119.878 120.400 -0.415 0.000 2.207 466 K HA 0.659 4.797 4.320 -0.303 0.000 0.255 466 K C 0.093 176.687 176.600 -0.009 0.000 0.941 466 K CA -0.612 55.595 56.287 -0.134 0.000 0.825 466 K CB 2.189 34.643 32.500 -0.076 0.000 1.119 466 K HN 0.054 nan 8.250 nan 0.000 0.430 467 V N 3.838 123.813 119.914 0.102 0.000 2.356 467 V HA 0.032 3.970 4.120 -0.303 0.000 0.258 467 V C 0.906 177.039 176.094 0.066 0.000 1.065 467 V CA -0.026 62.364 62.300 0.150 0.000 0.935 467 V CB 0.202 32.090 31.823 0.109 0.000 1.061 467 V HN 1.002 nan 8.190 nan 0.000 0.484 468 T N 1.188 115.780 114.554 0.064 0.000 3.215 468 T HA 0.113 4.281 4.350 -0.303 0.000 0.254 468 T C 0.428 175.133 174.700 0.008 0.000 1.149 468 T CA 0.037 62.152 62.100 0.025 0.000 1.042 468 T CB -0.114 68.767 68.868 0.023 0.000 0.966 468 T HN 0.574 nan 8.240 nan 0.000 0.534 469 K N 1.001 121.407 120.400 0.011 0.000 2.545 469 K HA 0.277 4.415 4.320 -0.303 0.000 0.287 469 K C -1.170 175.388 176.600 -0.071 0.000 1.074 469 K CA -0.211 56.037 56.287 -0.065 0.000 1.048 469 K CB 0.978 33.441 32.500 -0.061 0.000 1.384 469 K HN 0.225 nan 8.250 nan 0.000 0.440 470 S N 2.185 117.807 115.700 -0.129 0.000 2.726 470 S HA 0.730 5.018 4.470 -0.303 0.000 0.308 470 S C -0.980 173.531 174.600 -0.149 0.000 1.115 470 S CA -0.594 57.590 58.200 -0.028 0.000 0.965 470 S CB 1.010 64.208 63.200 -0.004 0.000 1.145 470 S HN 0.406 nan 8.310 nan 0.000 0.532 471 Y N 0.330 120.718 120.300 0.148 0.000 2.512 471 Y HA 0.572 4.941 4.550 -0.301 0.000 0.348 471 Y C 0.456 176.508 175.900 0.254 0.000 0.990 471 Y CA -0.831 57.383 58.100 0.189 0.000 1.033 471 Y CB 2.069 40.658 38.460 0.214 0.000 1.259 471 Y HN 0.922 nan 8.280 nan 0.000 0.461 472 S N 0.912 116.823 115.700 0.351 0.000 2.584 472 S HA 0.160 4.448 4.470 -0.303 0.000 0.273 472 S C 0.435 175.254 174.600 0.364 0.000 1.311 472 S CA -0.561 57.833 58.200 0.322 0.000 1.034 472 S CB 0.406 63.727 63.200 0.200 0.000 0.939 472 S HN 0.648 nan 8.310 nan 0.000 0.513 473 F N 1.520 121.599 119.950 0.216 0.000 2.605 473 F HA -0.069 4.275 4.527 -0.305 0.000 0.296 473 F C 1.316 177.111 175.800 -0.008 0.000 1.146 473 F CA 0.871 58.903 58.000 0.053 0.000 1.478 473 F CB -0.354 38.649 39.000 0.005 0.000 1.107 473 F HN 0.682 nan 8.300 nan 0.000 0.600 474 D N -0.425 120.014 120.400 0.066 0.000 2.216 474 D HA -0.103 4.356 4.640 -0.303 0.000 0.208 474 D C 1.864 178.125 176.300 -0.064 0.000 0.960 474 D CA 0.958 54.945 54.000 -0.022 0.000 0.861 474 D CB -0.138 40.688 40.800 0.043 0.000 0.985 474 D HN 0.468 nan 8.370 nan 0.000 0.493 475 E N 1.150 121.359 120.200 0.015 0.000 2.046 475 E HA -0.079 4.089 4.350 -0.303 0.000 0.190 475 E C 2.459 179.012 176.600 -0.077 0.000 0.982 475 E CA 0.469 56.889 56.400 0.033 0.000 0.800 475 E CB -0.064 29.748 29.700 0.187 0.000 0.756 475 E HN -0.006 nan 8.360 nan 0.000 0.449 476 V N 1.870 121.708 119.914 -0.127 0.000 2.222 476 V HA -0.363 3.575 4.120 -0.303 0.000 0.252 476 V C 2.429 178.271 176.094 -0.419 0.000 1.060 476 V CA 2.270 64.391 62.300 -0.299 0.000 1.027 476 V CB -0.673 30.880 31.823 -0.449 0.000 0.644 476 V HN 0.231 nan 8.190 nan 0.000 0.448 477 R N -0.242 119.906 120.500 -0.586 0.000 2.115 477 R HA -0.283 3.876 4.340 -0.303 0.000 0.239 477 R C 2.487 178.598 176.300 -0.315 0.000 1.133 477 R CA 2.350 58.133 56.100 -0.529 0.000 0.935 477 R CB -0.502 29.495 30.300 -0.506 0.000 0.853 477 R HN 0.515 nan 8.270 nan 0.000 0.433 478 K N 0.213 120.479 120.400 -0.222 0.000 2.211 478 K HA -0.164 3.974 4.320 -0.303 0.000 0.204 478 K C 1.555 178.089 176.600 -0.110 0.000 1.047 478 K CA 1.538 57.742 56.287 -0.138 0.000 0.935 478 K CB 0.032 32.482 32.500 -0.084 0.000 0.728 478 K HN 0.147 nan 8.250 nan 0.000 0.452 479 N N 0.458 119.086 118.700 -0.120 0.000 2.173 479 N HA -0.072 4.486 4.740 -0.303 0.000 0.184 479 N C 1.387 176.841 175.510 -0.094 0.000 1.025 479 N CA 1.335 54.337 53.050 -0.080 0.000 0.852 479 N CB -0.192 38.244 38.487 -0.084 0.000 0.998 479 N HN 0.249 nan 8.380 nan 0.000 0.427 480 A N 1.462 124.187 122.820 -0.157 0.000 2.238 480 A HA -0.038 4.100 4.320 -0.303 0.000 0.208 480 A C 1.077 178.561 177.584 -0.167 0.000 1.177 480 A CA -0.113 51.827 52.037 -0.161 0.000 0.804 480 A CB -0.574 18.287 19.000 -0.232 0.000 0.823 480 A HN 0.516 nan 8.150 nan 0.000 0.482 481 Q N -0.643 119.061 119.800 -0.159 0.000 2.651 481 Q HA 0.410 4.568 4.340 -0.303 0.000 0.224 481 Q C -0.364 175.564 176.000 -0.120 0.000 1.094 481 Q CA -0.130 55.578 55.803 -0.158 0.000 1.018 481 Q CB 0.412 29.070 28.738 -0.133 0.000 1.292 481 Q HN 0.380 nan 8.270 nan 0.000 0.588 482 L N 1.302 122.452 121.223 -0.121 0.000 2.352 482 L HA 0.392 4.550 4.340 -0.303 0.000 0.269 482 L C -0.354 176.480 176.870 -0.061 0.000 1.034 482 L CA -0.419 54.366 54.840 -0.091 0.000 0.806 482 L CB 1.365 43.358 42.059 -0.110 0.000 1.244 482 L HN 1.109 nan 8.230 nan 0.000 0.447 483 N N 0.000 118.675 118.700 -0.042 0.000 1.763 483 N HA 0.000 4.558 4.740 -0.303 0.000 0.220 483 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 483 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667