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 2v8g_1_A DATA FIRST_RESID 27 DATA SEQUENCE PLSIASGRLN QTILETGSQF GGVARWGQES HEFGMRRLAG TALDGAMRDW DATA SEQUENCE FTNECESLGC KVKVDKIGNM FAVYPGKNGG KPTATGSHLD TQPEAGKYDG DATA SEQUENCE ILGVLAGLEV LRTFKDNNYV PNYDVCVVVW FNEEGARFAR SCTGSSVWSH DATA SEQUENCE DLSLEEAYGL MSVGEDKPES VYDSLKNIGY IGDTPASYKE NEIDAHFELH DATA SEQUENCE IEQGPILEDE NKAIGIVTGV QAYNWQKVTV HGVGAHAGTT PWRLRKDALL DATA SEQUENCE MSSKMIVAAS EIAQRHNGLF TCGIIDAKPY SVNIIPGEVS FTLDFRHPSD DATA SEQUENCE DVLATMLKEA AAEFDRLIKI NDGGALSYES ETLQVSPAVN FHEVCIECVS DATA SEQUENCE RSAFAQFKKD QVRQIWSGAG HDSCQTAPHV PTSMIFIPSK DGLSHNYYEY DATA SEQUENCE SSPEEIENGF KVLLQAIINY DNYRVIRGHQ FP 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.303 177.300 0.006 0.000 1.155 27 P CA 0.000 63.106 63.100 0.009 0.000 0.800 27 P CB 0.000 31.716 31.700 0.027 0.000 0.726 28 L N 1.203 122.416 121.223 -0.017 0.000 2.372 28 L HA 0.478 4.863 4.340 0.074 0.000 0.274 28 L C 0.261 177.137 176.870 0.011 0.000 0.988 28 L CA -0.591 54.241 54.840 -0.013 0.000 0.833 28 L CB 2.145 44.162 42.059 -0.069 0.000 1.236 28 L HN 0.053 nan 8.230 nan 0.000 0.410 29 S N 3.296 119.017 115.700 0.034 0.000 2.565 29 S HA 0.671 5.185 4.470 0.074 0.000 0.276 29 S C -0.404 174.235 174.600 0.065 0.000 1.326 29 S CA -0.586 57.639 58.200 0.042 0.000 1.045 29 S CB 1.570 64.794 63.200 0.040 0.000 0.918 29 S HN 0.417 nan 8.310 nan 0.000 0.505 30 I N 1.388 122.003 120.570 0.074 0.000 2.530 30 I HA 0.489 4.704 4.170 0.074 0.000 0.297 30 I C 0.235 176.388 176.117 0.060 0.000 1.011 30 I CA -0.955 60.412 61.300 0.111 0.000 1.107 30 I CB 1.864 39.985 38.000 0.202 0.000 1.285 30 I HN 0.872 nan 8.210 nan 0.000 0.436 31 A N 4.570 127.408 122.820 0.030 0.000 2.544 31 A HA 0.247 4.612 4.320 0.074 0.000 0.301 31 A C 0.366 177.943 177.584 -0.012 0.000 1.368 31 A CA 0.047 52.085 52.037 0.003 0.000 1.045 31 A CB -0.212 18.779 19.000 -0.014 0.000 1.129 31 A HN 0.641 nan 8.150 nan 0.000 0.540 32 S N 1.981 117.684 115.700 0.006 0.000 2.525 32 S HA 0.404 4.918 4.470 0.074 0.000 0.285 32 S C 1.574 176.169 174.600 -0.010 0.000 1.283 32 S CA 1.217 59.420 58.200 0.006 0.000 1.072 32 S CB -0.048 63.161 63.200 0.016 0.000 0.867 32 S HN 2.166 nan 8.310 nan 0.000 0.492 33 G N 4.415 113.202 108.800 -0.021 0.000 2.199 33 G HA2 -0.303 3.701 3.960 0.074 0.000 0.254 33 G HA3 -0.303 3.701 3.960 0.074 0.000 0.254 33 G C 0.943 175.819 174.900 -0.041 0.000 0.982 33 G CA 0.624 45.710 45.100 -0.023 0.000 0.632 33 G HN 0.686 nan 8.290 nan 0.000 0.529 34 R N -0.095 120.365 120.500 -0.066 0.000 2.075 34 R HA 0.110 4.494 4.340 0.074 0.000 0.232 34 R C 2.578 178.824 176.300 -0.089 0.000 1.126 34 R CA 1.939 57.998 56.100 -0.068 0.000 0.963 34 R CB -0.327 29.926 30.300 -0.078 0.000 0.858 34 R HN 0.560 nan 8.270 nan 0.000 0.435 35 L N 1.494 122.615 121.223 -0.170 0.000 2.042 35 L HA -0.181 4.204 4.340 0.074 0.000 0.210 35 L C 1.764 178.589 176.870 -0.075 0.000 1.076 35 L CA 2.180 56.915 54.840 -0.175 0.000 0.749 35 L CB -0.982 40.891 42.059 -0.311 0.000 0.893 35 L HN 0.249 nan 8.230 nan 0.000 0.432 36 N N -0.891 117.777 118.700 -0.052 0.000 2.084 36 N HA -0.279 4.505 4.740 0.074 0.000 0.190 36 N C 1.954 177.467 175.510 0.005 0.000 1.030 36 N CA 1.623 54.670 53.050 -0.004 0.000 0.849 36 N CB -0.240 38.246 38.487 -0.002 0.000 1.012 36 N HN 0.549 nan 8.380 nan 0.000 0.423 37 Q N -0.382 119.416 119.800 -0.003 0.000 2.029 37 Q HA -0.188 4.197 4.340 0.074 0.000 0.209 37 Q C 1.661 177.658 176.000 -0.005 0.000 0.999 37 Q CA 2.924 58.729 55.803 0.003 0.000 0.857 37 Q CB -0.685 28.054 28.738 0.002 0.000 0.926 37 Q HN 0.410 nan 8.270 nan 0.000 0.415 38 T N 0.768 115.320 114.554 -0.002 0.000 2.746 38 T HA -0.127 4.267 4.350 0.074 0.000 0.267 38 T C 1.782 176.455 174.700 -0.045 0.000 1.039 38 T CA 1.501 63.605 62.100 0.007 0.000 1.142 38 T CB -0.302 68.609 68.868 0.072 0.000 0.866 38 T HN 0.291 nan 8.240 nan 0.000 0.444 39 I N 0.800 121.345 120.570 -0.042 0.000 2.163 39 I HA -0.167 4.047 4.170 0.074 0.000 0.243 39 I C 2.280 178.336 176.117 -0.101 0.000 1.085 39 I CA 1.340 62.588 61.300 -0.087 0.000 1.347 39 I CB -0.431 37.521 38.000 -0.080 0.000 1.044 39 I HN 0.211 nan 8.210 nan 0.000 0.408 40 L N -0.060 121.136 121.223 -0.043 0.000 2.044 40 L HA -0.154 4.231 4.340 0.074 0.000 0.205 40 L C 2.478 179.372 176.870 0.040 0.000 1.075 40 L CA 1.358 56.226 54.840 0.047 0.000 0.747 40 L CB -0.695 41.418 42.059 0.091 0.000 0.903 40 L HN 0.228 nan 8.230 nan 0.000 0.435 41 E N 0.081 120.247 120.200 -0.057 0.000 2.051 41 E HA -0.205 4.189 4.350 0.074 0.000 0.192 41 E C 2.194 178.635 176.600 -0.265 0.000 0.991 41 E CA 1.990 58.301 56.400 -0.148 0.000 0.799 41 E CB -0.133 29.493 29.700 -0.123 0.000 0.748 41 E HN 0.586 nan 8.360 nan 0.000 0.449 42 T N -1.739 112.646 114.554 -0.281 0.000 2.821 42 T HA -0.057 4.337 4.350 0.074 0.000 0.267 42 T C 2.069 176.674 174.700 -0.158 0.000 1.046 42 T CA 1.047 62.945 62.100 -0.337 0.000 1.139 42 T CB -0.562 68.065 68.868 -0.402 0.000 0.871 42 T HN 0.191 nan 8.240 nan 0.000 0.454 43 G N 0.929 109.688 108.800 -0.068 0.000 2.418 43 G HA2 -0.189 3.815 3.960 0.074 0.000 0.217 43 G HA3 -0.189 3.815 3.960 0.074 0.000 0.217 43 G C 1.910 176.850 174.900 0.068 0.000 1.158 43 G CA 1.089 46.229 45.100 0.066 0.000 0.771 43 G HN 0.594 nan 8.290 nan 0.000 0.545 44 S N -0.378 115.255 115.700 -0.112 0.000 2.382 44 S HA -0.111 4.403 4.470 0.074 0.000 0.228 44 S C 2.305 176.626 174.600 -0.466 0.000 1.027 44 S CA 1.758 59.618 58.200 -0.566 0.000 0.991 44 S CB -0.237 62.581 63.200 -0.636 0.000 0.823 44 S HN 0.475 nan 8.310 nan 0.000 0.469 45 Q N -1.093 118.396 119.800 -0.518 0.000 2.250 45 Q HA 0.150 4.534 4.340 0.074 0.000 0.200 45 Q C -0.361 175.194 176.000 -0.741 0.000 0.941 45 Q CA 0.597 55.949 55.803 -0.751 0.000 0.872 45 Q CB 0.254 28.317 28.738 -1.125 0.000 0.965 45 Q HN 0.652 nan 8.270 nan 0.000 0.480 46 F N -0.269 119.595 119.950 -0.144 0.000 2.449 46 F HA 0.409 4.979 4.527 0.073 0.000 0.329 46 F C 0.653 176.419 175.800 -0.057 0.000 1.245 46 F CA -0.285 57.659 58.000 -0.093 0.000 1.193 46 F CB 1.435 40.374 39.000 -0.102 0.000 1.425 46 F HN 0.045 nan 8.300 nan 0.000 0.544 47 G N 0.334 109.174 108.800 0.067 0.000 2.175 47 G HA2 -0.152 3.852 3.960 0.074 0.000 0.182 47 G HA3 -0.152 3.852 3.960 0.074 0.000 0.182 47 G C 0.447 175.377 174.900 0.050 0.000 1.003 47 G CA -0.556 44.582 45.100 0.064 0.000 0.666 47 G HN 0.928 nan 8.290 nan 0.000 0.506 48 G N 0.135 108.934 108.800 -0.003 0.000 2.343 48 G HA2 0.647 4.651 3.960 0.074 0.000 0.254 48 G HA3 0.647 4.651 3.960 0.074 0.000 0.254 48 G C 0.372 175.238 174.900 -0.056 0.000 1.277 48 G CA 0.803 45.912 45.100 0.015 0.000 0.909 48 G HN 1.633 nan 8.290 nan 0.000 0.502 49 V N -0.773 119.140 119.914 -0.000 0.000 3.167 49 V HA 0.854 5.019 4.120 0.074 0.000 0.310 49 V C 0.912 176.888 176.094 -0.198 0.000 1.207 49 V CA -0.449 61.795 62.300 -0.092 0.000 1.059 49 V CB 1.017 32.815 31.823 -0.042 0.000 1.079 49 V HN 2.496 nan 8.190 nan 0.000 0.446 50 A N -0.101 122.587 122.820 -0.219 0.000 2.783 50 A HA -0.253 4.111 4.320 0.074 0.000 0.292 50 A C 0.836 178.326 177.584 -0.156 0.000 1.495 50 A CA 1.427 53.301 52.037 -0.270 0.000 0.787 50 A CB -1.906 16.675 19.000 -0.699 0.000 1.017 50 A HN 1.580 nan 8.150 nan 0.000 0.516 51 R N -0.859 119.554 120.500 -0.144 0.000 2.494 51 R HA 0.096 4.481 4.340 0.074 0.000 0.291 51 R C 0.888 177.150 176.300 -0.064 0.000 0.953 51 R CA 1.293 57.278 56.100 -0.192 0.000 1.098 51 R CB -0.082 30.090 30.300 -0.213 0.000 0.911 51 R HN 1.085 nan 8.270 nan 0.000 0.407 52 W N 3.592 124.837 121.300 -0.091 0.000 2.870 52 W HA 0.498 5.202 4.660 0.074 0.000 0.358 52 W C -0.042 176.464 176.519 -0.022 0.000 1.043 52 W CA 0.155 57.475 57.345 -0.042 0.000 1.692 52 W CB 0.305 29.764 29.460 -0.001 0.000 1.100 52 W HN 0.634 nan 8.180 nan 0.000 0.557 53 G N 0.411 109.066 108.800 -0.242 0.000 2.606 53 G HA2 0.298 4.302 3.960 0.074 0.000 0.300 53 G HA3 0.298 4.302 3.960 0.074 0.000 0.300 53 G C -0.523 174.246 174.900 -0.217 0.000 1.360 53 G CA -0.592 44.412 45.100 -0.159 0.000 0.783 53 G HN -0.042 nan 8.290 nan 0.000 0.484 54 Q N -0.478 119.236 119.800 -0.143 0.000 2.391 54 Q HA 0.191 4.576 4.340 0.074 0.000 0.211 54 Q C 0.514 176.440 176.000 -0.125 0.000 0.908 54 Q CA 0.282 56.011 55.803 -0.123 0.000 0.920 54 Q CB 0.410 29.106 28.738 -0.070 0.000 1.056 54 Q HN 0.487 nan 8.270 nan 0.000 0.523 55 E N 0.387 120.505 120.200 -0.138 0.000 2.408 55 E HA -0.015 4.379 4.350 0.074 0.000 0.259 55 E C 0.840 177.370 176.600 -0.115 0.000 1.110 55 E CA 0.407 56.754 56.400 -0.089 0.000 0.929 55 E CB 0.798 30.479 29.700 -0.031 0.000 0.971 55 E HN 0.194 nan 8.360 nan 0.000 0.438 56 S N 0.897 116.611 115.700 0.023 0.000 2.507 56 S HA -0.157 4.358 4.470 0.074 0.000 0.235 56 S C 1.247 175.951 174.600 0.174 0.000 0.988 56 S CA 1.069 59.307 58.200 0.064 0.000 0.944 56 S CB -0.439 62.808 63.200 0.079 0.000 0.762 56 S HN 0.663 nan 8.310 nan 0.000 0.526 57 H N 0.149 119.244 119.070 0.042 0.000 2.586 57 H HA 0.353 4.953 4.556 0.074 0.000 0.273 57 H C -0.091 175.061 175.328 -0.292 0.000 0.997 57 H CA -0.162 55.873 56.048 -0.022 0.000 1.177 57 H CB -0.314 29.536 29.762 0.147 0.000 1.471 57 H HN 0.489 nan 8.280 nan 0.000 0.538 58 E N 1.556 121.302 120.200 -0.757 0.000 2.392 58 E HA 0.237 4.632 4.350 0.074 0.000 0.307 58 E C -1.009 174.477 176.600 -1.857 0.000 1.505 58 E CA -0.342 55.147 56.400 -1.518 0.000 1.716 58 E CB -0.303 28.655 29.700 -1.237 0.000 1.450 58 E HN 0.454 nan 8.360 nan 0.000 0.484 59 F N -2.706 116.312 119.950 -1.554 0.000 2.713 59 F HA 0.723 5.294 4.527 0.073 0.000 0.311 59 F C 0.002 175.583 175.800 -0.364 0.000 1.141 59 F CA -1.318 56.127 58.000 -0.924 0.000 0.939 59 F CB 0.658 39.330 39.000 -0.546 0.000 1.325 59 F HN -0.092 nan 8.300 nan 0.000 0.453 60 G N 1.073 109.800 108.800 -0.122 0.000 2.753 60 G HA2 0.711 4.715 3.960 0.074 0.000 0.285 60 G HA3 0.711 4.715 3.960 0.074 0.000 0.285 60 G C -1.379 173.585 174.900 0.106 0.000 1.344 60 G CA -1.097 44.006 45.100 0.005 0.000 1.050 60 G HN 0.566 nan 8.290 nan 0.000 0.532 61 M N 0.009 119.747 119.600 0.229 0.000 2.464 61 M HA 0.503 5.027 4.480 0.074 0.000 0.308 61 M C -0.726 175.696 176.300 0.203 0.000 1.127 61 M CA -0.665 54.737 55.300 0.171 0.000 0.913 61 M CB 2.309 34.959 32.600 0.083 0.000 1.689 61 M HN 0.634 nan 8.290 nan 0.000 0.445 62 R N 1.966 122.549 120.500 0.139 0.000 2.625 62 R HA 0.418 4.802 4.340 0.074 0.000 0.286 62 R C -1.169 175.175 176.300 0.074 0.000 1.406 62 R CA -0.228 55.935 56.100 0.106 0.000 1.052 62 R CB 1.109 31.478 30.300 0.115 0.000 1.203 62 R HN 0.797 nan 8.270 nan 0.000 0.502 63 R N 6.261 126.797 120.500 0.061 0.000 2.629 63 R HA 0.266 4.650 4.340 0.074 0.000 0.275 63 R C -1.013 175.315 176.300 0.048 0.000 1.719 63 R CA -0.411 55.724 56.100 0.057 0.000 1.472 63 R CB 0.571 30.907 30.300 0.060 0.000 1.237 63 R HN 0.500 nan 8.270 nan 0.000 0.589 64 L N 2.193 123.441 121.223 0.041 0.000 2.417 64 L HA 0.355 4.740 4.340 0.074 0.000 0.268 64 L C 0.868 177.783 176.870 0.076 0.000 1.158 64 L CA -0.407 54.452 54.840 0.032 0.000 0.819 64 L CB 1.082 43.138 42.059 -0.004 0.000 1.112 64 L HN 0.500 nan 8.230 nan 0.000 0.458 65 A N 2.182 125.055 122.820 0.089 0.000 2.566 65 A HA 0.362 4.726 4.320 0.074 0.000 0.245 65 A C 1.269 179.083 177.584 0.383 0.000 1.056 65 A CA 0.574 52.713 52.037 0.170 0.000 0.757 65 A CB -0.511 18.501 19.000 0.019 0.000 0.979 65 A HN 1.156 nan 8.150 nan 0.000 0.508 66 G N 2.219 111.262 108.800 0.405 0.000 2.168 66 G HA2 -0.215 3.789 3.960 0.074 0.000 0.263 66 G HA3 -0.215 3.789 3.960 0.074 0.000 0.263 66 G C 0.552 175.602 174.900 0.251 0.000 0.977 66 G CA 1.297 46.632 45.100 0.391 0.000 0.659 66 G HN 2.037 nan 8.290 nan 0.000 0.533 67 T N -2.761 111.902 114.554 0.181 0.000 2.847 67 T HA 0.734 5.129 4.350 0.074 0.000 0.279 67 T C 1.844 176.606 174.700 0.104 0.000 0.984 67 T CA 0.454 62.629 62.100 0.124 0.000 0.988 67 T CB 1.546 70.467 68.868 0.087 0.000 1.040 67 T HN 1.377 nan 8.240 nan 0.000 0.528 68 A N 0.518 123.392 122.820 0.090 0.000 1.927 68 A HA -0.049 4.316 4.320 0.074 0.000 0.220 68 A C 2.347 179.979 177.584 0.080 0.000 1.185 68 A CA 1.732 53.820 52.037 0.086 0.000 0.639 68 A CB -1.248 17.799 19.000 0.077 0.000 0.820 68 A HN 0.832 nan 8.150 nan 0.000 0.451 69 L N -0.951 120.320 121.223 0.079 0.000 2.093 69 L HA -0.165 4.220 4.340 0.074 0.000 0.208 69 L C 2.416 179.304 176.870 0.031 0.000 1.085 69 L CA 1.502 56.392 54.840 0.084 0.000 0.755 69 L CB -0.472 41.646 42.059 0.097 0.000 0.904 69 L HN 0.433 nan 8.230 nan 0.000 0.435 70 D N 0.083 120.503 120.400 0.033 0.000 2.097 70 D HA -0.162 4.523 4.640 0.074 0.000 0.195 70 D C 2.125 178.382 176.300 -0.073 0.000 0.989 70 D CA 1.526 55.522 54.000 -0.006 0.000 0.827 70 D CB -0.156 40.673 40.800 0.049 0.000 0.966 70 D HN 0.202 nan 8.370 nan 0.000 0.456 71 G N 0.181 108.972 108.800 -0.015 0.000 2.446 71 G HA2 -0.221 3.784 3.960 0.074 0.000 0.217 71 G HA3 -0.221 3.784 3.960 0.074 0.000 0.217 71 G C 1.745 176.651 174.900 0.011 0.000 1.168 71 G CA 1.494 46.610 45.100 0.026 0.000 0.771 71 G HN 0.458 nan 8.290 nan 0.000 0.551 72 A N 0.198 122.995 122.820 -0.038 0.000 1.902 72 A HA -0.003 4.362 4.320 0.074 0.000 0.217 72 A C 2.332 179.584 177.584 -0.553 0.000 1.181 72 A CA 2.326 54.277 52.037 -0.144 0.000 0.623 72 A CB -0.377 18.621 19.000 -0.004 0.000 0.818 72 A HN 0.416 nan 8.150 nan 0.000 0.443 73 M N -0.201 119.016 119.600 -0.638 0.000 2.132 73 M HA -0.077 4.447 4.480 0.074 0.000 0.263 73 M C 2.007 178.200 176.300 -0.178 0.000 1.065 73 M CA 1.651 56.544 55.300 -0.679 0.000 1.122 73 M CB -0.482 31.909 32.600 -0.348 0.000 1.365 73 M HN 0.369 nan 8.290 nan 0.000 0.411 74 R N 0.227 120.647 120.500 -0.133 0.000 2.083 74 R HA -0.168 4.216 4.340 0.074 0.000 0.237 74 R C 1.823 178.229 176.300 0.177 0.000 1.137 74 R CA 1.836 57.914 56.100 -0.036 0.000 0.951 74 R CB -0.701 29.340 30.300 -0.433 0.000 0.851 74 R HN 0.447 nan 8.270 nan 0.000 0.434 75 D N -0.626 119.872 120.400 0.163 0.000 2.123 75 D HA -0.217 4.468 4.640 0.074 0.000 0.196 75 D C 1.458 177.851 176.300 0.156 0.000 0.992 75 D CA 0.998 55.111 54.000 0.188 0.000 0.833 75 D CB -0.386 40.501 40.800 0.145 0.000 0.954 75 D HN 0.329 nan 8.370 nan 0.000 0.455 76 W N 0.626 121.886 121.300 -0.068 0.000 2.355 76 W HA -0.221 4.483 4.660 0.074 0.000 0.309 76 W C 2.141 178.697 176.519 0.060 0.000 1.206 76 W CA 1.106 58.450 57.345 -0.002 0.000 1.284 76 W CB -0.609 28.829 29.460 -0.037 0.000 1.145 76 W HN -0.058 nan 8.180 nan 0.000 0.502 77 F N 1.294 121.347 119.950 0.172 0.000 2.134 77 F HA -0.184 4.388 4.527 0.075 0.000 0.299 77 F C 2.788 178.514 175.800 -0.123 0.000 1.097 77 F CA 2.543 60.549 58.000 0.010 0.000 1.264 77 F CB -1.122 37.970 39.000 0.154 0.000 1.001 77 F HN -0.069 nan 8.300 nan 0.000 0.479 78 T N -0.600 113.912 114.554 -0.070 0.000 2.788 78 T HA -0.190 4.204 4.350 0.074 0.000 0.268 78 T C 1.887 176.454 174.700 -0.221 0.000 1.044 78 T CA 1.864 63.880 62.100 -0.140 0.000 1.139 78 T CB -0.544 68.365 68.868 0.068 0.000 0.867 78 T HN 0.340 nan 8.240 nan 0.000 0.454 79 N N 0.706 119.272 118.700 -0.224 0.000 2.354 79 N HA -0.015 4.769 4.740 0.074 0.000 0.179 79 N C 1.929 177.224 175.510 -0.359 0.000 1.021 79 N CA 0.759 53.665 53.050 -0.239 0.000 0.887 79 N CB -0.131 38.257 38.487 -0.165 0.000 0.974 79 N HN 0.531 nan 8.380 nan 0.000 0.437 80 E N 0.821 120.668 120.200 -0.589 0.000 2.047 80 E HA -0.079 4.315 4.350 0.074 0.000 0.191 80 E C 2.179 178.526 176.600 -0.421 0.000 0.987 80 E CA 0.549 56.582 56.400 -0.612 0.000 0.799 80 E CB -0.377 28.753 29.700 -0.950 0.000 0.752 80 E HN 0.313 nan 8.360 nan 0.000 0.449 81 C N 0.978 119.984 119.300 -0.490 0.000 2.432 81 C HA -0.083 4.421 4.460 0.074 0.000 0.277 81 C C 2.543 177.429 174.990 -0.174 0.000 1.249 81 C CA 0.523 59.335 59.018 -0.343 0.000 1.725 81 C CB -0.836 26.633 27.740 -0.451 0.000 2.028 81 C HN 0.500 nan 8.230 nan 0.000 0.477 82 E N 1.275 121.370 120.200 -0.175 0.000 2.160 82 E HA -0.185 4.210 4.350 0.074 0.000 0.195 82 E C 2.204 178.755 176.600 -0.081 0.000 0.991 82 E CA 1.653 57.992 56.400 -0.102 0.000 0.810 82 E CB -0.196 29.448 29.700 -0.093 0.000 0.742 82 E HN 0.804 nan 8.360 nan 0.000 0.466 83 S N 0.412 116.048 115.700 -0.106 0.000 2.474 83 S HA -0.050 4.465 4.470 0.074 0.000 0.235 83 S C 1.753 176.334 174.600 -0.032 0.000 0.997 83 S CA 0.554 58.709 58.200 -0.074 0.000 0.949 83 S CB -0.148 62.993 63.200 -0.098 0.000 0.766 83 S HN 0.193 nan 8.310 nan 0.000 0.517 84 L N 0.563 121.778 121.223 -0.013 0.000 2.607 84 L HA 0.372 4.756 4.340 0.074 0.000 0.228 84 L C 1.696 178.632 176.870 0.110 0.000 1.123 84 L CA 0.329 55.221 54.840 0.088 0.000 0.890 84 L CB -0.370 41.766 42.059 0.129 0.000 1.103 84 L HN 0.577 nan 8.230 nan 0.000 0.468 85 G N -0.465 108.343 108.800 0.013 0.000 2.131 85 G HA2 -0.227 3.777 3.960 0.074 0.000 0.223 85 G HA3 -0.227 3.777 3.960 0.074 0.000 0.223 85 G C 0.178 175.037 174.900 -0.068 0.000 0.990 85 G CA -0.246 44.822 45.100 -0.052 0.000 0.671 85 G HN 0.283 nan 8.290 nan 0.000 0.521 86 C N 0.336 119.636 119.300 -0.000 0.000 2.605 86 C HA 0.613 5.117 4.460 0.074 0.000 0.404 86 C C 0.908 175.896 174.990 -0.003 0.000 1.284 86 C CA -0.337 58.694 59.018 0.022 0.000 2.199 86 C CB 1.153 28.920 27.740 0.046 0.000 2.647 86 C HN 0.579 nan 8.230 nan 0.000 0.604 87 K N 1.915 122.326 120.400 0.018 0.000 2.248 87 K HA 0.474 4.838 4.320 0.074 0.000 0.281 87 K C -1.049 175.583 176.600 0.053 0.000 1.054 87 K CA -0.047 56.255 56.287 0.025 0.000 0.903 87 K CB 0.473 32.990 32.500 0.028 0.000 1.077 87 K HN 0.477 nan 8.250 nan 0.000 0.474 88 V N 6.081 126.021 119.914 0.045 0.000 2.318 88 V HA 0.309 4.473 4.120 0.074 0.000 0.271 88 V C -0.083 176.077 176.094 0.109 0.000 1.030 88 V CA -0.735 61.611 62.300 0.078 0.000 0.844 88 V CB 0.836 32.686 31.823 0.044 0.000 1.015 88 V HN 0.672 nan 8.190 nan 0.000 0.460 89 K N 3.444 123.943 120.400 0.164 0.000 2.130 89 K HA 0.727 5.092 4.320 0.074 0.000 0.268 89 K C -1.036 175.712 176.600 0.246 0.000 0.983 89 K CA -0.639 55.747 56.287 0.166 0.000 0.893 89 K CB 2.331 34.911 32.500 0.134 0.000 1.066 89 K HN 0.431 nan 8.250 nan 0.000 0.450 90 V N 3.075 123.107 119.914 0.197 0.000 2.444 90 V HA 0.083 4.247 4.120 0.074 0.000 0.294 90 V C -0.274 175.943 176.094 0.205 0.000 1.022 90 V CA -1.009 61.432 62.300 0.235 0.000 0.850 90 V CB 1.460 33.401 31.823 0.197 0.000 0.992 90 V HN 0.873 nan 8.190 nan 0.000 0.426 91 D N 3.569 124.127 120.400 0.263 0.000 2.466 91 D HA 0.261 4.946 4.640 0.074 0.000 0.262 91 D C 0.811 177.219 176.300 0.179 0.000 1.177 91 D CA -0.668 53.461 54.000 0.215 0.000 1.035 91 D CB 0.983 41.951 40.800 0.279 0.000 1.105 91 D HN 0.291 nan 8.370 nan 0.000 0.551 92 K N -0.985 119.510 120.400 0.158 0.000 2.280 92 K HA -0.009 4.355 4.320 0.074 0.000 0.202 92 K C 1.081 177.788 176.600 0.180 0.000 1.047 92 K CA 0.612 56.999 56.287 0.166 0.000 0.942 92 K CB -0.181 32.411 32.500 0.154 0.000 0.739 92 K HN 0.327 nan 8.250 nan 0.000 0.457 93 I N -0.539 120.103 120.570 0.119 0.000 3.941 93 I HA 0.171 4.385 4.170 0.074 0.000 0.335 93 I C 0.609 176.682 176.117 -0.073 0.000 1.402 93 I CA 0.291 61.608 61.300 0.028 0.000 1.112 93 I CB 0.517 38.546 38.000 0.047 0.000 1.043 93 I HN 0.278 nan 8.210 nan 0.000 0.395 94 G N 0.742 109.570 108.800 0.046 0.000 2.157 94 G HA2 -0.266 3.738 3.960 0.074 0.000 0.239 94 G HA3 -0.266 3.738 3.960 0.074 0.000 0.239 94 G C 0.112 175.115 174.900 0.171 0.000 0.982 94 G CA -0.003 45.134 45.100 0.062 0.000 0.650 94 G HN 0.397 nan 8.290 nan 0.000 0.527 95 N N 0.699 119.534 118.700 0.225 0.000 2.492 95 N HA 0.473 5.257 4.740 0.074 0.000 0.262 95 N C 0.607 176.147 175.510 0.051 0.000 1.202 95 N CA 0.598 53.702 53.050 0.091 0.000 0.926 95 N CB 0.476 39.046 38.487 0.139 0.000 1.078 95 N HN 0.429 nan 8.380 nan 0.000 0.454 96 M N 1.811 121.282 119.600 -0.215 0.000 2.364 96 M HA 0.438 4.963 4.480 0.074 0.000 0.334 96 M C -1.011 175.060 176.300 -0.381 0.000 1.107 96 M CA -0.517 54.746 55.300 -0.061 0.000 0.988 96 M CB 1.235 33.873 32.600 0.064 0.000 1.673 96 M HN 0.249 nan 8.290 nan 0.000 0.441 97 F N 1.567 121.519 119.950 0.002 0.000 2.513 97 F HA 0.533 5.104 4.527 0.074 0.000 0.358 97 F C 0.033 175.866 175.800 0.054 0.000 1.118 97 F CA -0.918 57.076 58.000 -0.010 0.000 1.037 97 F CB 1.316 40.304 39.000 -0.020 0.000 1.276 97 F HN 0.633 nan 8.300 nan 0.000 0.446 98 A N 3.500 126.429 122.820 0.182 0.000 2.415 98 A HA 0.622 4.986 4.320 0.074 0.000 0.309 98 A C -0.493 177.191 177.584 0.166 0.000 1.356 98 A CA -0.437 51.679 52.037 0.131 0.000 0.998 98 A CB -0.152 18.876 19.000 0.046 0.000 1.145 98 A HN 0.465 nan 8.150 nan 0.000 0.545 99 V N 3.774 123.788 119.914 0.168 0.000 2.364 99 V HA 0.155 4.320 4.120 0.074 0.000 0.272 99 V C -0.520 175.691 176.094 0.196 0.000 1.036 99 V CA -0.306 62.109 62.300 0.191 0.000 0.880 99 V CB 0.514 32.434 31.823 0.160 0.000 0.991 99 V HN 0.738 nan 8.190 nan 0.000 0.460 100 Y N 8.700 129.071 120.300 0.119 0.000 2.335 100 Y HA 0.501 5.096 4.550 0.074 0.000 0.339 100 Y C -2.100 173.876 175.900 0.127 0.000 0.987 100 Y CA -2.728 55.446 58.100 0.122 0.000 1.140 100 Y CB 1.812 40.374 38.460 0.171 0.000 1.173 100 Y HN 0.463 nan 8.280 nan 0.000 0.486 101 P HA 0.189 nan 4.420 nan 0.000 0.271 101 P C -0.209 177.066 177.300 -0.041 0.000 1.220 101 P CA 0.132 63.176 63.100 -0.093 0.000 0.768 101 P CB 1.275 32.879 31.700 -0.159 0.000 0.848 102 G N 2.100 110.916 108.800 0.028 0.000 2.601 102 G HA2 0.288 4.293 3.960 0.074 0.000 0.317 102 G HA3 0.288 4.293 3.960 0.074 0.000 0.317 102 G C 0.753 175.597 174.900 -0.094 0.000 1.246 102 G CA -0.664 44.433 45.100 -0.005 0.000 1.012 102 G HN 0.442 nan 8.290 nan 0.000 0.494 103 K N -0.652 119.652 120.400 -0.160 0.000 2.103 103 K HA -0.059 4.305 4.320 0.074 0.000 0.207 103 K C 1.198 177.676 176.600 -0.203 0.000 1.048 103 K CA 1.834 58.010 56.287 -0.184 0.000 0.930 103 K CB 0.043 32.417 32.500 -0.208 0.000 0.716 103 K HN 0.415 nan 8.250 nan 0.000 0.444 104 N N -0.613 117.904 118.700 -0.304 0.000 2.184 104 N HA 0.116 4.901 4.740 0.074 0.000 0.206 104 N C 0.725 176.162 175.510 -0.121 0.000 1.151 104 N CA 0.650 53.520 53.050 -0.299 0.000 0.878 104 N CB 1.289 39.410 38.487 -0.610 0.000 1.014 104 N HN 0.392 nan 8.380 nan 0.000 0.512 105 G N 1.444 110.217 108.800 -0.046 0.000 2.574 105 G HA2 -0.244 3.760 3.960 0.074 0.000 0.301 105 G HA3 -0.244 3.760 3.960 0.074 0.000 0.301 105 G C 0.454 175.467 174.900 0.187 0.000 1.166 105 G CA 0.529 45.667 45.100 0.063 0.000 0.971 105 G HN 0.847 nan 8.290 nan 0.000 0.542 106 G N -0.582 108.324 108.800 0.178 0.000 2.806 106 G HA2 0.013 4.017 3.960 0.074 0.000 0.236 106 G HA3 0.013 4.017 3.960 0.074 0.000 0.236 106 G C 0.032 175.042 174.900 0.184 0.000 1.387 106 G CA 0.837 46.061 45.100 0.208 0.000 0.884 106 G HN 1.457 nan 8.290 nan 0.000 0.560 107 K N 2.018 122.514 120.400 0.161 0.000 2.472 107 K HA 0.257 4.621 4.320 0.074 0.000 0.280 107 K C -1.819 174.907 176.600 0.211 0.000 1.028 107 K CA -0.322 56.066 56.287 0.169 0.000 1.045 107 K CB 0.519 33.114 32.500 0.158 0.000 0.902 107 K HN 0.383 nan 8.250 nan 0.000 0.478 108 P HA -0.011 nan 4.420 nan 0.000 0.271 108 P C -0.694 176.776 177.300 0.283 0.000 1.216 108 P CA -0.280 62.977 63.100 0.261 0.000 0.776 108 P CB 0.677 32.528 31.700 0.251 0.000 0.881 109 T N 2.129 116.875 114.554 0.320 0.000 2.779 109 T HA 0.390 4.785 4.350 0.074 0.000 0.296 109 T C 0.457 175.323 174.700 0.276 0.000 0.938 109 T CA 0.139 62.437 62.100 0.329 0.000 1.119 109 T CB 0.109 69.237 68.868 0.434 0.000 0.891 109 T HN 0.453 nan 8.240 nan 0.000 0.526 110 A N 3.319 126.278 122.820 0.231 0.000 2.312 110 A HA 0.731 5.096 4.320 0.074 0.000 0.326 110 A C 0.356 177.979 177.584 0.065 0.000 1.172 110 A CA -0.648 51.503 52.037 0.190 0.000 0.821 110 A CB 1.173 20.344 19.000 0.285 0.000 1.166 110 A HN 0.702 nan 8.150 nan 0.000 0.493 111 T N 0.389 114.951 114.554 0.012 0.000 2.893 111 T HA 0.761 5.155 4.350 0.074 0.000 0.293 111 T C -0.139 174.511 174.700 -0.083 0.000 1.027 111 T CA 0.387 62.430 62.100 -0.096 0.000 0.988 111 T CB 1.331 70.196 68.868 -0.005 0.000 1.043 111 T HN 2.072 nan 8.240 nan 0.000 0.461 112 G N 1.487 110.231 108.800 -0.093 0.000 2.342 112 G HA2 0.585 4.589 3.960 0.074 0.000 0.297 112 G HA3 0.585 4.589 3.960 0.074 0.000 0.297 112 G C -0.981 174.042 174.900 0.206 0.000 1.313 112 G CA 0.291 45.413 45.100 0.037 0.000 0.830 112 G HN 0.994 nan 8.290 nan 0.000 0.506 113 S N -2.158 113.681 115.700 0.232 0.000 3.241 113 S HA 0.619 5.133 4.470 0.074 0.000 0.305 113 S C -1.635 173.159 174.600 0.324 0.000 1.234 113 S CA 0.282 58.692 58.200 0.349 0.000 1.238 113 S CB 0.160 63.462 63.200 0.171 0.000 1.504 113 S HN 1.641 nan 8.310 nan 0.000 0.508 114 H N -0.120 119.044 119.070 0.157 0.000 2.747 114 H HA 0.738 5.339 4.556 0.074 0.000 0.371 114 H C 0.002 175.328 175.328 -0.004 0.000 1.161 114 H CA -0.928 55.172 56.048 0.087 0.000 1.167 114 H CB 0.865 30.705 29.762 0.130 0.000 1.732 114 H HN 0.357 nan 8.280 nan 0.000 0.544 115 L N 0.256 121.474 121.223 -0.009 0.000 2.590 115 L HA 0.091 4.475 4.340 0.074 0.000 0.227 115 L C 0.308 177.189 176.870 0.018 0.000 1.099 115 L CA -0.120 54.671 54.840 -0.082 0.000 0.872 115 L CB 0.044 42.016 42.059 -0.145 0.000 1.088 115 L HN 0.760 nan 8.230 nan 0.000 0.479 116 D N 0.466 120.942 120.400 0.127 0.000 2.339 116 D HA 0.181 4.865 4.640 0.074 0.000 0.245 116 D C 0.099 176.515 176.300 0.192 0.000 1.115 116 D CA 0.027 54.099 54.000 0.121 0.000 0.917 116 D CB 1.700 42.538 40.800 0.064 0.000 1.192 116 D HN -0.030 nan 8.370 nan 0.000 0.428 117 T N -1.997 112.615 114.554 0.096 0.000 2.858 117 T HA 0.293 4.687 4.350 0.074 0.000 0.285 117 T C 0.152 174.846 174.700 -0.010 0.000 1.052 117 T CA -0.968 61.175 62.100 0.072 0.000 1.009 117 T CB 1.720 70.619 68.868 0.053 0.000 1.241 117 T HN 0.316 nan 8.240 nan 0.000 0.542 118 Q N 1.028 120.777 119.800 -0.086 0.000 2.443 118 Q HA 0.248 4.632 4.340 0.074 0.000 0.232 118 Q C -1.490 174.457 176.000 -0.088 0.000 1.026 118 Q CA -2.031 53.676 55.803 -0.159 0.000 0.924 118 Q CB 0.524 29.070 28.738 -0.320 0.000 1.256 118 Q HN 0.502 nan 8.270 nan 0.000 0.519 119 P HA -0.123 nan 4.420 nan 0.000 0.219 119 P C -0.538 176.737 177.300 -0.041 0.000 1.146 119 P CA 1.379 64.445 63.100 -0.056 0.000 0.808 119 P CB 0.480 32.137 31.700 -0.072 0.000 0.779 120 E N -0.367 119.759 120.200 -0.124 0.000 2.325 120 E HA 0.605 4.999 4.350 0.074 0.000 0.248 120 E C -0.872 175.578 176.600 -0.251 0.000 0.912 120 E CA -0.585 55.653 56.400 -0.270 0.000 0.782 120 E CB 1.977 31.358 29.700 -0.531 0.000 1.264 120 E HN 0.008 nan 8.360 nan 0.000 0.417 121 A N 2.014 124.816 122.820 -0.029 0.000 2.485 121 A HA 0.895 5.259 4.320 0.074 0.000 0.292 121 A C -0.034 177.638 177.584 0.147 0.000 1.147 121 A CA -0.495 51.563 52.037 0.036 0.000 0.750 121 A CB 1.575 20.592 19.000 0.028 0.000 1.331 121 A HN 0.511 nan 8.150 nan 0.000 0.419 122 G N -0.817 108.057 108.800 0.123 0.000 2.502 122 G HA2 0.477 4.481 3.960 0.074 0.000 0.305 122 G HA3 0.477 4.481 3.960 0.074 0.000 0.305 122 G C 0.149 175.040 174.900 -0.015 0.000 1.190 122 G CA -0.526 44.645 45.100 0.119 0.000 0.933 122 G HN 0.713 nan 8.290 nan 0.000 0.503 123 K N -0.511 119.759 120.400 -0.217 0.000 2.432 123 K HA 0.050 4.414 4.320 0.074 0.000 0.196 123 K C 0.858 177.126 176.600 -0.553 0.000 1.038 123 K CA 0.996 56.971 56.287 -0.520 0.000 0.986 123 K CB 0.107 32.040 32.500 -0.945 0.000 0.782 123 K HN 0.639 nan 8.250 nan 0.000 0.485 124 Y N -0.147 120.105 120.300 -0.080 0.000 2.581 124 Y HA 0.082 4.676 4.550 0.073 0.000 0.271 124 Y C 0.584 176.368 175.900 -0.194 0.000 1.100 124 Y CA -0.864 57.156 58.100 -0.134 0.000 1.281 124 Y CB 0.313 38.690 38.460 -0.138 0.000 1.237 124 Y HN -0.083 nan 8.280 nan 0.000 0.514 125 D N 0.837 121.247 120.400 0.017 0.000 2.451 125 D HA 0.168 4.853 4.640 0.074 0.000 0.254 125 D C 1.287 177.474 176.300 -0.189 0.000 1.204 125 D CA 1.918 55.899 54.000 -0.031 0.000 0.896 125 D CB 0.655 41.596 40.800 0.236 0.000 1.136 125 D HN 0.570 nan 8.370 nan 0.000 0.499 126 G N 4.225 112.758 108.800 -0.444 0.000 3.078 126 G HA2 -0.410 3.594 3.960 0.074 0.000 0.227 126 G HA3 -0.410 3.594 3.960 0.074 0.000 0.227 126 G C 1.554 176.172 174.900 -0.470 0.000 1.306 126 G CA 0.456 45.061 45.100 -0.825 0.000 0.841 126 G HN 0.575 nan 8.290 nan 0.000 0.530 127 I N 1.058 121.420 120.570 -0.347 0.000 2.264 127 I HA -0.158 4.056 4.170 0.074 0.000 0.248 127 I C 2.656 178.685 176.117 -0.147 0.000 1.111 127 I CA 1.725 62.896 61.300 -0.214 0.000 1.382 127 I CB -0.346 37.551 38.000 -0.173 0.000 1.060 127 I HN 0.388 nan 8.210 nan 0.000 0.418 128 L N 1.173 122.314 121.223 -0.136 0.000 2.046 128 L HA -0.087 4.298 4.340 0.074 0.000 0.208 128 L C 2.324 179.160 176.870 -0.057 0.000 1.077 128 L CA 2.283 57.082 54.840 -0.069 0.000 0.747 128 L CB -1.211 40.815 42.059 -0.056 0.000 0.896 128 L HN 0.179 nan 8.230 nan 0.000 0.432 129 G N -0.827 107.923 108.800 -0.083 0.000 2.421 129 G HA2 -0.238 3.766 3.960 0.074 0.000 0.216 129 G HA3 -0.238 3.766 3.960 0.074 0.000 0.216 129 G C 1.653 176.542 174.900 -0.018 0.000 1.171 129 G CA 1.255 46.344 45.100 -0.018 0.000 0.775 129 G HN 0.467 nan 8.290 nan 0.000 0.543 130 V N 0.179 120.050 119.914 -0.071 0.000 2.453 130 V HA 0.072 4.237 4.120 0.074 0.000 0.247 130 V C 2.604 178.700 176.094 0.002 0.000 1.048 130 V CA 1.482 63.724 62.300 -0.096 0.000 1.049 130 V CB -0.298 31.343 31.823 -0.302 0.000 0.672 130 V HN 0.333 nan 8.190 nan 0.000 0.457 131 L N 0.522 121.749 121.223 0.007 0.000 2.156 131 L HA 0.062 4.446 4.340 0.074 0.000 0.208 131 L C 2.990 179.882 176.870 0.037 0.000 1.095 131 L CA 1.300 56.186 54.840 0.076 0.000 0.770 131 L CB -0.914 41.176 42.059 0.052 0.000 0.914 131 L HN 0.456 nan 8.230 nan 0.000 0.439 132 A N 0.613 123.449 122.820 0.027 0.000 1.933 132 A HA -0.122 4.242 4.320 0.074 0.000 0.218 132 A C 2.411 180.062 177.584 0.113 0.000 1.175 132 A CA 1.709 53.795 52.037 0.081 0.000 0.628 132 A CB -1.160 17.920 19.000 0.134 0.000 0.814 132 A HN 0.424 nan 8.150 nan 0.000 0.444 133 G N -0.290 108.553 108.800 0.071 0.000 2.446 133 G HA2 -0.226 3.779 3.960 0.074 0.000 0.217 133 G HA3 -0.226 3.779 3.960 0.074 0.000 0.217 133 G C 1.571 176.492 174.900 0.035 0.000 1.168 133 G CA 0.948 46.078 45.100 0.050 0.000 0.771 133 G HN 0.414 nan 8.290 nan 0.000 0.551 134 L N 0.091 121.375 121.223 0.100 0.000 2.012 134 L HA -0.092 4.292 4.340 0.074 0.000 0.210 134 L C 2.911 179.753 176.870 -0.047 0.000 1.073 134 L CA 1.680 56.557 54.840 0.061 0.000 0.748 134 L CB -0.296 41.872 42.059 0.181 0.000 0.891 134 L HN 0.232 nan 8.230 nan 0.000 0.431 135 E N -0.456 119.703 120.200 -0.067 0.000 2.110 135 E HA -0.187 4.207 4.350 0.074 0.000 0.193 135 E C 2.200 178.766 176.600 -0.055 0.000 0.988 135 E CA 1.201 57.492 56.400 -0.182 0.000 0.804 135 E CB -0.224 29.127 29.700 -0.582 0.000 0.745 135 E HN 0.387 nan 8.360 nan 0.000 0.458 136 V N 1.764 121.700 119.914 0.037 0.000 2.252 136 V HA -0.289 3.875 4.120 0.074 0.000 0.249 136 V C 2.575 178.229 176.094 -0.732 0.000 1.056 136 V CA 1.645 63.774 62.300 -0.286 0.000 1.022 136 V CB -0.615 30.987 31.823 -0.369 0.000 0.641 136 V HN 0.244 nan 8.190 nan 0.000 0.445 137 L N -0.777 120.112 121.223 -0.556 0.000 2.017 137 L HA -0.210 4.174 4.340 0.074 0.000 0.208 137 L C 2.771 179.423 176.870 -0.364 0.000 1.073 137 L CA 1.816 56.282 54.840 -0.624 0.000 0.745 137 L CB -0.728 41.087 42.059 -0.407 0.000 0.894 137 L HN 0.243 nan 8.230 nan 0.000 0.432 138 R N -0.504 119.878 120.500 -0.196 0.000 2.091 138 R HA -0.134 4.250 4.340 0.074 0.000 0.238 138 R C 2.348 178.631 176.300 -0.028 0.000 1.136 138 R CA 1.939 57.992 56.100 -0.080 0.000 0.959 138 R CB -0.580 29.678 30.300 -0.070 0.000 0.856 138 R HN 0.322 nan 8.270 nan 0.000 0.437 139 T N 0.703 115.229 114.554 -0.048 0.000 2.746 139 T HA -0.119 4.275 4.350 0.074 0.000 0.267 139 T C 1.531 176.333 174.700 0.170 0.000 1.039 139 T CA 1.279 63.409 62.100 0.050 0.000 1.142 139 T CB -0.279 68.646 68.868 0.095 0.000 0.866 139 T HN 0.203 nan 8.240 nan 0.000 0.444 140 F N 1.177 121.115 119.950 -0.020 0.000 2.095 140 F HA -0.152 4.419 4.527 0.074 0.000 0.298 140 F C 2.640 178.521 175.800 0.135 0.000 1.104 140 F CA 1.051 59.084 58.000 0.055 0.000 1.232 140 F CB -0.160 38.812 39.000 -0.046 0.000 0.987 140 F HN 0.103 nan 8.300 nan 0.000 0.475 141 K N 0.743 121.323 120.400 0.300 0.000 2.026 141 K HA -0.181 4.183 4.320 0.074 0.000 0.208 141 K C 1.465 178.170 176.600 0.175 0.000 1.048 141 K CA 1.909 58.351 56.287 0.258 0.000 0.929 141 K CB -0.211 32.422 32.500 0.221 0.000 0.713 141 K HN 0.020 nan 8.250 nan 0.000 0.439 142 D N 0.420 120.902 120.400 0.136 0.000 2.178 142 D HA -0.136 4.548 4.640 0.074 0.000 0.201 142 D C 1.009 177.378 176.300 0.114 0.000 0.980 142 D CA 0.947 55.009 54.000 0.102 0.000 0.842 142 D CB -0.171 40.675 40.800 0.076 0.000 0.948 142 D HN 0.336 nan 8.370 nan 0.000 0.472 143 N N 0.830 119.623 118.700 0.154 0.000 2.322 143 N HA -0.032 4.752 4.740 0.074 0.000 0.194 143 N C -0.328 175.285 175.510 0.172 0.000 1.126 143 N CA -0.033 53.110 53.050 0.155 0.000 0.845 143 N CB 0.307 38.896 38.487 0.169 0.000 0.976 143 N HN 0.008 nan 8.380 nan 0.000 0.475 144 N N 0.772 119.572 118.700 0.168 0.000 2.714 144 N HA -0.267 4.517 4.740 0.074 0.000 0.252 144 N C -0.929 174.672 175.510 0.152 0.000 1.014 144 N CA 0.819 53.954 53.050 0.142 0.000 0.735 144 N CB -1.866 36.672 38.487 0.084 0.000 0.924 144 N HN 0.522 nan 8.380 nan 0.000 0.540 145 Y N -0.408 119.928 120.300 0.060 0.000 2.331 145 Y HA 0.479 5.074 4.550 0.074 0.000 0.338 145 Y C -0.217 175.617 175.900 -0.109 0.000 0.976 145 Y CA -0.801 57.274 58.100 -0.042 0.000 1.137 145 Y CB 1.072 39.491 38.460 -0.069 0.000 1.172 145 Y HN -0.067 nan 8.280 nan 0.000 0.478 146 V N 9.273 128.909 119.914 -0.464 0.000 2.370 146 V HA 0.358 4.523 4.120 0.074 0.000 0.283 146 V C -1.990 173.780 176.094 -0.540 0.000 1.023 146 V CA -1.859 60.250 62.300 -0.317 0.000 0.857 146 V CB 1.051 32.751 31.823 -0.206 0.000 0.985 146 V HN 0.723 nan 8.190 nan 0.000 0.443 147 P HA 0.228 nan 4.420 nan 0.000 0.272 147 P C 0.182 177.405 177.300 -0.128 0.000 1.230 147 P CA -0.239 62.757 63.100 -0.174 0.000 0.788 147 P CB 1.118 32.835 31.700 0.028 0.000 0.949 148 N N -0.483 118.172 118.700 -0.075 0.000 2.244 148 N HA -0.093 4.691 4.740 0.074 0.000 0.183 148 N C -0.079 175.216 175.510 -0.357 0.000 1.016 148 N CA 1.289 54.224 53.050 -0.192 0.000 0.866 148 N CB -0.303 38.128 38.487 -0.094 0.000 0.980 148 N HN 0.479 nan 8.380 nan 0.000 0.430 149 Y N 0.172 120.494 120.300 0.035 0.000 2.536 149 Y HA 0.271 4.865 4.550 0.074 0.000 0.347 149 Y C -0.357 175.623 175.900 0.133 0.000 1.000 149 Y CA -1.456 56.688 58.100 0.073 0.000 1.051 149 Y CB 1.002 39.514 38.460 0.085 0.000 1.259 149 Y HN -0.168 nan 8.280 nan 0.000 0.468 150 D N 1.132 121.705 120.400 0.289 0.000 2.548 150 D HA 0.170 4.854 4.640 0.074 0.000 0.231 150 D C -0.732 175.763 176.300 0.326 0.000 1.142 150 D CA 0.699 54.858 54.000 0.266 0.000 0.866 150 D CB 0.746 41.677 40.800 0.218 0.000 1.190 150 D HN 0.132 nan 8.370 nan 0.000 0.469 151 V N 1.814 121.945 119.914 0.361 0.000 2.680 151 V HA 0.510 4.675 4.120 0.074 0.000 0.309 151 V C 0.071 176.350 176.094 0.309 0.000 1.052 151 V CA -0.731 61.783 62.300 0.357 0.000 0.908 151 V CB 1.859 33.940 31.823 0.430 0.000 1.001 151 V HN 0.927 nan 8.190 nan 0.000 0.431 152 C N 3.053 122.503 119.300 0.251 0.000 2.797 152 C HA 0.889 5.393 4.460 0.074 0.000 0.306 152 C C -0.721 174.356 174.990 0.145 0.000 1.207 152 C CA -0.721 58.425 59.018 0.215 0.000 1.507 152 C CB 0.972 28.860 27.740 0.247 0.000 2.028 152 C HN 0.593 nan 8.230 nan 0.000 0.475 153 V N 3.364 123.353 119.914 0.124 0.000 2.370 153 V HA 0.528 4.692 4.120 0.074 0.000 0.279 153 V C 0.053 176.139 176.094 -0.014 0.000 1.029 153 V CA -0.230 62.126 62.300 0.093 0.000 0.870 153 V CB 1.199 33.148 31.823 0.210 0.000 0.984 153 V HN 0.825 nan 8.190 nan 0.000 0.451 154 V N 5.794 125.587 119.914 -0.201 0.000 2.398 154 V HA 0.406 4.570 4.120 0.074 0.000 0.286 154 V C -0.051 175.692 176.094 -0.586 0.000 1.026 154 V CA -0.587 61.332 62.300 -0.635 0.000 0.868 154 V CB 1.844 33.046 31.823 -1.035 0.000 0.982 154 V HN 0.611 nan 8.190 nan 0.000 0.443 155 V N 4.381 123.932 119.914 -0.605 0.000 2.328 155 V HA 0.346 4.510 4.120 0.074 0.000 0.278 155 V C -0.573 175.283 176.094 -0.397 0.000 1.021 155 V CA -0.692 61.358 62.300 -0.417 0.000 0.838 155 V CB 0.763 32.368 31.823 -0.364 0.000 0.999 155 V HN 0.879 nan 8.190 nan 0.000 0.447 156 W N 3.879 125.132 121.300 -0.078 0.000 2.315 156 W HA 0.483 5.187 4.660 0.073 0.000 0.316 156 W C 0.181 176.751 176.519 0.085 0.000 1.211 156 W CA -0.624 56.713 57.345 -0.012 0.000 1.201 156 W CB 0.716 30.174 29.460 -0.003 0.000 1.184 156 W HN 0.543 nan 8.180 nan 0.000 0.544 157 F N 4.391 124.495 119.950 0.257 0.000 2.471 157 F HA 0.072 4.643 4.527 0.075 0.000 0.353 157 F C 1.028 176.933 175.800 0.175 0.000 1.113 157 F CA -0.524 57.579 58.000 0.171 0.000 1.262 157 F CB 0.316 39.405 39.000 0.148 0.000 1.146 157 F HN 0.523 nan 8.300 nan 0.000 0.578 158 N N 3.417 121.524 118.700 -0.988 0.000 2.666 158 N HA -0.260 4.524 4.740 0.074 0.000 0.274 158 N C 0.991 176.325 175.510 -0.293 0.000 1.043 158 N CA 1.108 53.697 53.050 -0.768 0.000 0.782 158 N CB -0.544 37.278 38.487 -1.108 0.000 0.912 158 N HN 0.843 nan 8.380 nan 0.000 0.556 159 E N 0.431 120.513 120.200 -0.197 0.000 2.107 159 E HA -0.149 4.245 4.350 0.074 0.000 0.191 159 E C 0.787 177.265 176.600 -0.203 0.000 0.982 159 E CA 0.796 57.065 56.400 -0.218 0.000 0.809 159 E CB 0.186 29.633 29.700 -0.422 0.000 0.756 159 E HN 0.584 nan 8.360 nan 0.000 0.459 160 E N -0.207 119.879 120.200 -0.190 0.000 2.106 160 E HA -0.109 4.286 4.350 0.074 0.000 0.192 160 E C 1.217 177.869 176.600 0.087 0.000 0.984 160 E CA 1.014 57.370 56.400 -0.073 0.000 0.806 160 E CB -0.280 29.380 29.700 -0.068 0.000 0.750 160 E HN 0.443 nan 8.360 nan 0.000 0.458 161 G N 0.569 109.430 108.800 0.101 0.000 2.246 161 G HA2 -0.289 3.715 3.960 0.074 0.000 0.273 161 G HA3 -0.289 3.715 3.960 0.074 0.000 0.273 161 G C 0.845 175.849 174.900 0.172 0.000 1.055 161 G CA 0.869 46.119 45.100 0.249 0.000 0.851 161 G HN 0.496 nan 8.290 nan 0.000 0.500 162 A N -0.328 122.523 122.820 0.051 0.000 1.884 162 A HA 0.445 4.809 4.320 0.074 0.000 0.212 162 A C 2.101 179.635 177.584 -0.084 0.000 1.265 162 A CA 1.689 53.705 52.037 -0.036 0.000 0.626 162 A CB -0.183 18.771 19.000 -0.076 0.000 0.943 162 A HN 0.460 nan 8.150 nan 0.000 0.466 163 R N -1.780 118.634 120.500 -0.143 0.000 2.092 163 R HA 0.032 4.416 4.340 0.074 0.000 0.231 163 R C -0.823 175.111 176.300 -0.609 0.000 1.119 163 R CA 0.826 56.685 56.100 -0.402 0.000 0.970 163 R CB -0.089 29.907 30.300 -0.507 0.000 0.864 163 R HN 0.411 nan 8.270 nan 0.000 0.440 164 F N -0.628 119.360 119.950 0.064 0.000 2.477 164 F HA 0.433 5.008 4.527 0.080 0.000 0.335 164 F C 0.128 176.001 175.800 0.122 0.000 1.130 164 F CA -1.199 56.862 58.000 0.101 0.000 0.948 164 F CB 1.901 40.982 39.000 0.136 0.000 1.154 164 F HN -0.114 nan 8.300 nan 0.000 0.439 165 A N 3.600 126.589 122.820 0.280 0.000 3.046 165 A HA 0.433 4.797 4.320 0.074 0.000 0.259 165 A C 0.205 178.027 177.584 0.396 0.000 1.843 165 A CA 0.137 52.342 52.037 0.280 0.000 1.451 165 A CB -0.793 18.316 19.000 0.182 0.000 1.025 165 A HN 0.588 nan 8.150 nan 0.000 0.625 166 R N 0.446 121.180 120.500 0.389 0.000 2.659 166 R HA 0.266 4.651 4.340 0.074 0.000 0.290 166 R C -0.362 176.025 176.300 0.145 0.000 1.253 166 R CA 0.284 56.535 56.100 0.252 0.000 1.010 166 R CB 0.322 30.725 30.300 0.172 0.000 1.236 166 R HN 0.425 nan 8.270 nan 0.000 0.413 167 S N 1.832 117.517 115.700 -0.024 0.000 2.603 167 S HA 0.249 4.763 4.470 0.074 0.000 0.268 167 S C 0.377 174.924 174.600 -0.089 0.000 1.317 167 S CA 0.339 58.502 58.200 -0.060 0.000 1.012 167 S CB 0.690 63.799 63.200 -0.153 0.000 0.926 167 S HN 0.970 nan 8.310 nan 0.000 0.539 168 C N 1.921 121.173 119.300 -0.080 0.000 4.235 168 C HA -0.139 4.366 4.460 0.074 0.000 0.301 168 C C 1.778 176.756 174.990 -0.019 0.000 1.409 168 C CA 0.586 59.556 59.018 -0.080 0.000 2.024 168 C CB -3.459 24.213 27.740 -0.113 0.000 1.286 168 C HN 1.055 nan 8.230 nan 0.000 0.746 169 T N 0.788 115.354 114.554 0.020 0.000 2.622 169 T HA -0.104 4.290 4.350 0.074 0.000 0.266 169 T C 2.017 176.855 174.700 0.229 0.000 1.047 169 T CA 2.236 64.408 62.100 0.120 0.000 1.159 169 T CB -0.242 68.717 68.868 0.152 0.000 0.863 169 T HN 0.882 nan 8.240 nan 0.000 0.422 170 G N 1.295 110.301 108.800 0.344 0.000 2.404 170 G HA2 -0.202 3.802 3.960 0.074 0.000 0.215 170 G HA3 -0.202 3.802 3.960 0.074 0.000 0.215 170 G C 1.946 177.111 174.900 0.443 0.000 1.174 170 G CA 1.355 46.744 45.100 0.482 0.000 0.780 170 G HN 0.627 nan 8.290 nan 0.000 0.537 171 S N 0.242 116.053 115.700 0.186 0.000 2.402 171 S HA -0.033 4.482 4.470 0.074 0.000 0.229 171 S C 2.385 177.006 174.600 0.036 0.000 1.021 171 S CA 1.615 59.658 58.200 -0.262 0.000 0.974 171 S CB -0.295 62.262 63.200 -1.071 0.000 0.800 171 S HN 0.183 nan 8.310 nan 0.000 0.484 172 S N 1.174 116.908 115.700 0.057 0.000 2.368 172 S HA -0.008 4.506 4.470 0.074 0.000 0.224 172 S C 1.919 176.616 174.600 0.163 0.000 1.029 172 S CA 1.177 59.428 58.200 0.084 0.000 0.988 172 S CB -0.520 62.698 63.200 0.029 0.000 0.838 172 S HN 0.458 nan 8.310 nan 0.000 0.462 173 V N 0.089 120.121 119.914 0.197 0.000 2.295 173 V HA -0.194 3.970 4.120 0.074 0.000 0.246 173 V C 1.828 178.101 176.094 0.297 0.000 1.049 173 V CA 1.858 64.265 62.300 0.179 0.000 1.024 173 V CB -0.750 31.163 31.823 0.150 0.000 0.648 173 V HN 0.730 nan 8.190 nan 0.000 0.447 174 W N 1.623 123.072 121.300 0.248 0.000 2.338 174 W HA -0.263 4.440 4.660 0.073 0.000 0.304 174 W C 2.692 179.443 176.519 0.387 0.000 1.212 174 W CA 2.074 59.631 57.345 0.354 0.000 1.264 174 W CB -0.182 29.598 29.460 0.534 0.000 1.142 174 W HN 0.342 nan 8.180 nan 0.000 0.512 175 S N -1.657 114.290 115.700 0.413 0.000 2.593 175 S HA -0.011 4.504 4.470 0.074 0.000 0.217 175 S C 0.531 175.289 174.600 0.263 0.000 0.966 175 S CA 0.897 59.188 58.200 0.151 0.000 0.914 175 S CB -0.839 62.533 63.200 0.287 0.000 0.776 175 S HN 0.595 nan 8.310 nan 0.000 0.523 176 H N -0.489 118.636 119.070 0.092 0.000 3.109 176 H HA -0.165 4.435 4.556 0.074 0.000 0.245 176 H C 0.421 175.786 175.328 0.062 0.000 1.187 176 H CA 0.759 56.854 56.048 0.079 0.000 1.136 176 H CB -1.648 28.184 29.762 0.117 0.000 1.243 176 H HN 0.622 nan 8.280 nan 0.000 0.328 177 D N 0.670 121.162 120.400 0.154 0.000 2.323 177 D HA 0.073 4.757 4.640 0.074 0.000 0.209 177 D C 0.469 176.789 176.300 0.033 0.000 0.973 177 D CA 0.461 54.502 54.000 0.067 0.000 0.874 177 D CB 0.423 41.242 40.800 0.031 0.000 0.930 177 D HN 0.233 nan 8.370 nan 0.000 0.521 178 L N 0.639 121.884 121.223 0.037 0.000 2.470 178 L HA 0.403 4.787 4.340 0.074 0.000 0.268 178 L C -0.681 176.176 176.870 -0.022 0.000 0.964 178 L CA -0.696 54.151 54.840 0.012 0.000 0.839 178 L CB 1.746 43.820 42.059 0.025 0.000 1.276 178 L HN -0.003 nan 8.230 nan 0.000 0.403 179 S N 3.600 119.274 115.700 -0.043 0.000 2.580 179 S HA 0.235 4.749 4.470 0.074 0.000 0.274 179 S C 1.092 175.626 174.600 -0.109 0.000 1.329 179 S CA -0.376 57.769 58.200 -0.091 0.000 1.036 179 S CB 1.031 64.188 63.200 -0.073 0.000 0.919 179 S HN 0.805 nan 8.310 nan 0.000 0.515 180 L N 1.495 122.617 121.223 -0.168 0.000 2.042 180 L HA -0.062 4.322 4.340 0.074 0.000 0.210 180 L C 2.211 178.899 176.870 -0.303 0.000 1.076 180 L CA 2.039 56.706 54.840 -0.288 0.000 0.749 180 L CB -1.017 40.851 42.059 -0.318 0.000 0.893 180 L HN 0.832 nan 8.230 nan 0.000 0.432 181 E N -0.358 119.765 120.200 -0.129 0.000 2.106 181 E HA -0.219 4.175 4.350 0.074 0.000 0.192 181 E C 2.160 178.779 176.600 0.033 0.000 0.984 181 E CA 1.377 57.772 56.400 -0.007 0.000 0.806 181 E CB -0.225 29.482 29.700 0.011 0.000 0.750 181 E HN 0.614 nan 8.360 nan 0.000 0.458 182 E N 0.044 120.246 120.200 0.004 0.000 2.072 182 E HA -0.164 4.230 4.350 0.074 0.000 0.191 182 E C 1.978 178.612 176.600 0.056 0.000 0.985 182 E CA 0.922 57.342 56.400 0.035 0.000 0.801 182 E CB -0.080 29.634 29.700 0.023 0.000 0.750 182 E HN 0.251 nan 8.360 nan 0.000 0.452 183 A N 0.416 123.247 122.820 0.019 0.000 1.933 183 A HA -0.192 4.172 4.320 0.074 0.000 0.218 183 A C 1.912 179.569 177.584 0.122 0.000 1.175 183 A CA 1.222 53.288 52.037 0.048 0.000 0.628 183 A CB -0.808 18.200 19.000 0.012 0.000 0.814 183 A HN 0.369 nan 8.150 nan 0.000 0.444 184 Y N 0.055 120.381 120.300 0.043 0.000 2.256 184 Y HA -0.076 4.518 4.550 0.073 0.000 0.288 184 Y C 2.587 178.520 175.900 0.055 0.000 1.155 184 Y CA 0.583 58.719 58.100 0.061 0.000 1.203 184 Y CB -0.999 37.518 38.460 0.096 0.000 0.980 184 Y HN 0.327 nan 8.280 nan 0.000 0.530 185 G N -0.984 107.942 108.800 0.210 0.000 3.042 185 G HA2 0.127 4.131 3.960 0.074 0.000 0.212 185 G HA3 0.127 4.131 3.960 0.074 0.000 0.212 185 G C 0.416 175.404 174.900 0.147 0.000 1.166 185 G CA -0.298 44.889 45.100 0.146 0.000 0.767 185 G HN 0.120 nan 8.290 nan 0.000 0.546 186 L N 1.927 123.240 121.223 0.149 0.000 2.499 186 L HA 0.222 4.606 4.340 0.074 0.000 0.273 186 L C 0.292 177.359 176.870 0.328 0.000 1.195 186 L CA -0.088 54.876 54.840 0.206 0.000 0.882 186 L CB 0.768 42.945 42.059 0.197 0.000 1.133 186 L HN 0.040 nan 8.230 nan 0.000 0.483 187 M N 2.462 122.277 119.600 0.357 0.000 2.318 187 M HA 0.237 4.762 4.480 0.074 0.000 0.347 187 M C 0.310 176.830 176.300 0.367 0.000 1.175 187 M CA -0.428 55.084 55.300 0.354 0.000 1.075 187 M CB 1.542 34.259 32.600 0.196 0.000 1.614 187 M HN 0.649 nan 8.290 nan 0.000 0.456 188 S N 2.374 118.214 115.700 0.234 0.000 2.572 188 S HA 0.490 5.004 4.470 0.074 0.000 0.279 188 S C 0.005 174.534 174.600 -0.118 0.000 1.341 188 S CA -0.769 57.295 58.200 -0.226 0.000 1.043 188 S CB 0.489 63.499 63.200 -0.317 0.000 0.887 188 S HN 0.622 nan 8.310 nan 0.000 0.516 189 V N -0.289 119.513 119.914 -0.187 0.000 2.881 189 V HA 0.883 5.047 4.120 0.074 0.000 0.316 189 V C 1.128 177.159 176.094 -0.106 0.000 1.070 189 V CA -0.304 61.936 62.300 -0.100 0.000 0.976 189 V CB 0.269 32.051 31.823 -0.069 0.000 1.038 189 V HN 1.961 nan 8.190 nan 0.000 0.446 190 G N 1.110 109.867 108.800 -0.073 0.000 2.203 190 G HA2 -0.224 3.780 3.960 0.074 0.000 0.263 190 G HA3 -0.224 3.780 3.960 0.074 0.000 0.263 190 G C -0.100 174.763 174.900 -0.062 0.000 1.012 190 G CA 0.789 45.848 45.100 -0.068 0.000 0.749 190 G HN 1.046 nan 8.290 nan 0.000 0.512 191 E N -0.891 119.275 120.200 -0.057 0.000 2.234 191 E HA 0.366 4.760 4.350 0.074 0.000 0.266 191 E C 0.675 177.256 176.600 -0.031 0.000 0.877 191 E CA -0.560 55.814 56.400 -0.043 0.000 0.758 191 E CB 1.441 31.114 29.700 -0.046 0.000 1.170 191 E HN 0.043 nan 8.360 nan 0.000 0.415 192 D N 2.545 122.930 120.400 -0.026 0.000 2.191 192 D HA -0.230 4.455 4.640 0.074 0.000 0.190 192 D C 0.293 176.586 176.300 -0.011 0.000 1.007 192 D CA 1.641 55.628 54.000 -0.022 0.000 0.865 192 D CB 0.343 41.133 40.800 -0.016 0.000 0.929 192 D HN 0.202 nan 8.370 nan 0.000 0.447 193 K N 0.118 120.518 120.400 -0.001 0.000 2.559 193 K HA 0.333 4.698 4.320 0.074 0.000 0.249 193 K C -3.031 173.582 176.600 0.023 0.000 0.958 193 K CA -1.892 54.402 56.287 0.013 0.000 0.901 193 K CB 1.762 34.273 32.500 0.018 0.000 1.124 193 K HN -0.118 nan 8.250 nan 0.000 0.437 194 P HA 0.123 nan 4.420 nan 0.000 0.271 194 P C -1.035 176.319 177.300 0.090 0.000 1.218 194 P CA 0.031 63.161 63.100 0.050 0.000 0.780 194 P CB 0.611 32.346 31.700 0.058 0.000 0.901 195 E N -0.002 120.280 120.200 0.137 0.000 2.299 195 E HA 0.570 4.964 4.350 0.074 0.000 0.265 195 E C -0.677 176.118 176.600 0.325 0.000 0.911 195 E CA -1.104 55.411 56.400 0.192 0.000 0.789 195 E CB 1.163 30.967 29.700 0.172 0.000 1.246 195 E HN 0.335 nan 8.360 nan 0.000 0.427 196 S N 0.536 116.392 115.700 0.260 0.000 2.603 196 S HA 0.085 4.599 4.470 0.074 0.000 0.268 196 S C 1.223 175.938 174.600 0.192 0.000 1.317 196 S CA -0.730 57.621 58.200 0.253 0.000 1.012 196 S CB 1.277 64.581 63.200 0.172 0.000 0.926 196 S HN 0.436 nan 8.310 nan 0.000 0.539 197 V N 1.310 121.181 119.914 -0.072 0.000 2.324 197 V HA -0.214 3.950 4.120 0.074 0.000 0.250 197 V C 1.988 178.032 176.094 -0.084 0.000 1.060 197 V CA 2.444 64.565 62.300 -0.298 0.000 1.042 197 V CB -1.435 30.189 31.823 -0.330 0.000 0.650 197 V HN 0.940 nan 8.190 nan 0.000 0.450 198 Y N 1.236 121.452 120.300 -0.141 0.000 2.097 198 Y HA -0.285 4.308 4.550 0.073 0.000 0.282 198 Y C 2.495 178.280 175.900 -0.191 0.000 1.152 198 Y CA 2.267 60.157 58.100 -0.351 0.000 1.136 198 Y CB -0.322 37.838 38.460 -0.501 0.000 0.975 198 Y HN 0.307 nan 8.280 nan 0.000 0.498 199 D N -0.796 119.642 120.400 0.064 0.000 2.117 199 D HA -0.157 4.527 4.640 0.074 0.000 0.197 199 D C 2.372 178.672 176.300 -0.000 0.000 0.987 199 D CA 1.545 55.572 54.000 0.045 0.000 0.829 199 D CB -0.295 40.578 40.800 0.122 0.000 0.961 199 D HN 0.325 nan 8.370 nan 0.000 0.460 200 S N 0.448 116.186 115.700 0.064 0.000 2.353 200 S HA -0.107 4.407 4.470 0.074 0.000 0.222 200 S C 2.219 176.837 174.600 0.029 0.000 1.035 200 S CA 0.682 58.952 58.200 0.117 0.000 1.025 200 S CB -0.290 63.086 63.200 0.292 0.000 0.902 200 S HN 0.250 nan 8.310 nan 0.000 0.440 201 L N 1.213 122.380 121.223 -0.093 0.000 2.083 201 L HA -0.105 4.279 4.340 0.074 0.000 0.209 201 L C 2.633 179.414 176.870 -0.148 0.000 1.083 201 L CA 1.191 55.953 54.840 -0.131 0.000 0.752 201 L CB -0.456 41.439 42.059 -0.273 0.000 0.899 201 L HN 0.269 nan 8.230 nan 0.000 0.433 202 K N 0.301 120.526 120.400 -0.291 0.000 2.057 202 K HA -0.177 4.187 4.320 0.074 0.000 0.207 202 K C 1.902 178.441 176.600 -0.102 0.000 1.049 202 K CA 1.359 57.489 56.287 -0.262 0.000 0.931 202 K CB -0.001 32.286 32.500 -0.355 0.000 0.714 202 K HN 0.294 nan 8.250 nan 0.000 0.440 203 N N 1.377 120.049 118.700 -0.047 0.000 2.104 203 N HA -0.183 4.601 4.740 0.074 0.000 0.190 203 N C 1.797 177.328 175.510 0.035 0.000 1.024 203 N CA 1.672 54.727 53.050 0.008 0.000 0.853 203 N CB -0.248 38.262 38.487 0.038 0.000 1.008 203 N HN 0.485 nan 8.380 nan 0.000 0.424 204 I N -3.899 116.716 120.570 0.075 0.000 3.793 204 I HA 0.361 4.575 4.170 0.074 0.000 0.315 204 I C 0.806 177.000 176.117 0.128 0.000 1.275 204 I CA 0.140 61.533 61.300 0.154 0.000 1.214 204 I CB -0.230 37.914 38.000 0.241 0.000 1.018 204 I HN -0.023 nan 8.210 nan 0.000 0.439 205 G N 1.559 110.351 108.800 -0.012 0.000 2.256 205 G HA2 -0.311 3.693 3.960 0.074 0.000 0.272 205 G HA3 -0.311 3.693 3.960 0.074 0.000 0.272 205 G C -0.213 174.444 174.900 -0.405 0.000 1.076 205 G CA 0.281 45.267 45.100 -0.190 0.000 0.882 205 G HN 0.621 nan 8.290 nan 0.000 0.497 206 Y N -1.040 119.224 120.300 -0.059 0.000 2.715 206 Y HA 0.447 5.041 4.550 0.074 0.000 0.255 206 Y C 1.210 177.064 175.900 -0.077 0.000 1.139 206 Y CA -0.744 57.329 58.100 -0.044 0.000 1.151 206 Y CB 0.615 39.065 38.460 -0.018 0.000 1.201 206 Y HN 0.319 nan 8.280 nan 0.000 0.556 207 I N 1.207 121.754 120.570 -0.039 0.000 2.291 207 I HA 0.296 4.511 4.170 0.074 0.000 0.292 207 I C 1.043 177.163 176.117 0.005 0.000 1.064 207 I CA -0.060 61.223 61.300 -0.029 0.000 1.269 207 I CB 0.368 38.282 38.000 -0.144 0.000 1.418 207 I HN 0.255 nan 8.210 nan 0.000 0.485 208 G N 3.837 112.675 108.800 0.063 0.000 2.535 208 G HA2 0.178 4.183 3.960 0.074 0.000 0.303 208 G HA3 0.178 4.183 3.960 0.074 0.000 0.303 208 G C 0.306 175.245 174.900 0.064 0.000 1.237 208 G CA -0.353 44.783 45.100 0.059 0.000 0.986 208 G HN 0.563 nan 8.290 nan 0.000 0.494 209 D N -0.952 119.478 120.400 0.051 0.000 2.301 209 D HA -0.002 4.682 4.640 0.074 0.000 0.206 209 D C 1.698 178.026 176.300 0.047 0.000 0.979 209 D CA 0.763 54.790 54.000 0.044 0.000 0.874 209 D CB -0.052 40.764 40.800 0.027 0.000 0.968 209 D HN 0.425 nan 8.370 nan 0.000 0.510 210 T N 1.715 116.300 114.554 0.052 0.000 2.916 210 T HA 0.206 4.601 4.350 0.074 0.000 0.303 210 T C -2.700 172.032 174.700 0.055 0.000 1.025 210 T CA -1.458 60.664 62.100 0.036 0.000 1.142 210 T CB 1.400 70.275 68.868 0.011 0.000 0.947 210 T HN -0.259 nan 8.240 nan 0.000 0.544 211 P HA 0.283 nan 4.420 nan 0.000 0.271 211 P C -0.816 176.536 177.300 0.087 0.000 1.216 211 P CA -0.385 62.741 63.100 0.043 0.000 0.776 211 P CB 0.391 32.094 31.700 0.005 0.000 0.881 212 A N 2.013 124.900 122.820 0.112 0.000 3.056 212 A HA 0.449 4.813 4.320 0.074 0.000 0.274 212 A C 0.251 177.947 177.584 0.185 0.000 1.661 212 A CA 0.322 52.492 52.037 0.222 0.000 1.363 212 A CB -1.014 18.094 19.000 0.180 0.000 1.139 212 A HN 0.391 nan 8.150 nan 0.000 0.598 213 S N 0.224 115.988 115.700 0.106 0.000 2.562 213 S HA 0.372 4.886 4.470 0.074 0.000 0.274 213 S C 0.357 174.629 174.600 -0.546 0.000 1.160 213 S CA -0.469 57.663 58.200 -0.112 0.000 0.933 213 S CB 0.424 63.625 63.200 0.002 0.000 1.100 213 S HN 0.952 nan 8.310 nan 0.000 0.468 214 Y N 4.007 123.595 120.300 -1.188 0.000 2.483 214 Y HA 0.185 4.779 4.550 0.074 0.000 0.291 214 Y C 1.349 176.888 175.900 -0.603 0.000 1.143 214 Y CA 1.325 58.586 58.100 -1.397 0.000 1.289 214 Y CB -0.304 36.992 38.460 -1.940 0.000 0.983 214 Y HN 0.587 nan 8.280 nan 0.000 0.556 215 K N 0.065 119.830 120.400 -1.058 0.000 2.314 215 K HA 0.002 4.366 4.320 0.074 0.000 0.198 215 K C 1.466 177.873 176.600 -0.323 0.000 1.045 215 K CA 0.919 56.785 56.287 -0.702 0.000 0.988 215 K CB 0.143 32.196 32.500 -0.745 0.000 0.783 215 K HN 0.353 nan 8.250 nan 0.000 0.484 216 E N 0.431 120.481 120.200 -0.250 0.000 2.244 216 E HA -0.015 4.380 4.350 0.074 0.000 0.196 216 E C 0.179 176.736 176.600 -0.072 0.000 0.939 216 E CA 0.480 56.804 56.400 -0.127 0.000 0.884 216 E CB 0.067 29.710 29.700 -0.095 0.000 0.850 216 E HN 0.052 nan 8.360 nan 0.000 0.481 217 N N 2.239 120.910 118.700 -0.049 0.000 3.044 217 N HA 0.046 4.830 4.740 0.074 0.000 0.254 217 N C -1.001 174.603 175.510 0.156 0.000 1.253 217 N CA 0.019 53.061 53.050 -0.013 0.000 0.944 217 N CB 0.280 38.710 38.487 -0.094 0.000 1.217 217 N HN -0.065 nan 8.380 nan 0.000 0.498 218 E N 1.650 121.924 120.200 0.123 0.000 2.343 218 E HA 0.316 4.711 4.350 0.074 0.000 0.269 218 E C 0.182 176.959 176.600 0.294 0.000 1.047 218 E CA -0.437 56.100 56.400 0.229 0.000 0.874 218 E CB 1.578 31.354 29.700 0.128 0.000 1.033 218 E HN 0.565 nan 8.360 nan 0.000 0.409 219 I N -1.794 119.023 120.570 0.411 0.000 2.892 219 I HA 0.364 4.579 4.170 0.074 0.000 0.306 219 I C -0.060 176.233 176.117 0.293 0.000 1.078 219 I CA -0.730 60.782 61.300 0.354 0.000 1.032 219 I CB 2.143 40.390 38.000 0.411 0.000 1.229 219 I HN 0.337 nan 8.210 nan 0.000 0.435 220 D N 2.374 122.923 120.400 0.250 0.000 2.240 220 D HA 0.424 5.109 4.640 0.074 0.000 0.206 220 D C 0.337 176.731 176.300 0.156 0.000 0.963 220 D CA 0.990 55.124 54.000 0.223 0.000 0.863 220 D CB 0.571 41.529 40.800 0.263 0.000 0.973 220 D HN 0.839 nan 8.370 nan 0.000 0.501 221 A N -1.159 121.706 122.820 0.075 0.000 2.566 221 A HA 0.464 4.828 4.320 0.074 0.000 0.290 221 A C -1.754 175.778 177.584 -0.087 0.000 1.071 221 A CA -0.674 51.256 52.037 -0.180 0.000 0.658 221 A CB 1.088 19.654 19.000 -0.724 0.000 1.285 221 A HN 0.217 nan 8.150 nan 0.000 0.427 222 H N 0.519 119.358 119.070 -0.385 0.000 3.108 222 H HA 0.570 5.171 4.556 0.074 0.000 0.329 222 H C -2.077 172.983 175.328 -0.446 0.000 0.978 222 H CA -0.225 55.685 56.048 -0.229 0.000 1.413 222 H CB 0.708 30.430 29.762 -0.066 0.000 1.670 222 H HN 0.456 nan 8.280 nan 0.000 0.512 223 F N 2.645 122.352 119.950 -0.405 0.000 2.443 223 F HA 0.292 4.863 4.527 0.074 0.000 0.335 223 F C 0.406 175.980 175.800 -0.376 0.000 1.104 223 F CA -0.623 57.180 58.000 -0.328 0.000 1.013 223 F CB 1.903 40.770 39.000 -0.222 0.000 1.136 223 F HN 0.486 nan 8.300 nan 0.000 0.470 224 E N 3.513 123.664 120.200 -0.082 0.000 2.244 224 E HA 0.420 4.815 4.350 0.074 0.000 0.260 224 E C -1.835 174.776 176.600 0.017 0.000 0.884 224 E CA -0.980 55.398 56.400 -0.037 0.000 0.777 224 E CB 1.549 31.265 29.700 0.026 0.000 1.197 224 E HN 0.588 nan 8.360 nan 0.000 0.416 225 L N 5.217 126.470 121.223 0.051 0.000 2.305 225 L HA 0.459 4.843 4.340 0.074 0.000 0.281 225 L C -1.204 175.754 176.870 0.148 0.000 1.085 225 L CA 0.058 54.948 54.840 0.083 0.000 0.813 225 L CB 0.977 43.067 42.059 0.052 0.000 1.157 225 L HN 0.652 nan 8.230 nan 0.000 0.436 226 H N 4.257 123.392 119.070 0.107 0.000 3.064 226 H HA 0.373 4.972 4.556 0.073 0.000 0.352 226 H C -0.896 174.456 175.328 0.040 0.000 1.260 226 H CA -0.554 55.553 56.048 0.098 0.000 1.160 226 H CB 1.794 31.617 29.762 0.101 0.000 1.879 226 H HN 0.753 nan 8.280 nan 0.000 0.544 227 I N -0.128 120.396 120.570 -0.076 0.000 2.836 227 I HA 0.105 4.319 4.170 0.074 0.000 0.285 227 I C 1.504 177.398 176.117 -0.372 0.000 1.174 227 I CA -0.022 61.196 61.300 -0.137 0.000 1.405 227 I CB 0.778 38.688 38.000 -0.151 0.000 1.385 227 I HN 0.671 nan 8.210 nan 0.000 0.594 228 E N 2.872 122.703 120.200 -0.614 0.000 2.110 228 E HA -0.250 4.144 4.350 0.074 0.000 0.193 228 E C 0.755 176.987 176.600 -0.613 0.000 0.988 228 E CA 1.811 57.581 56.400 -1.050 0.000 0.804 228 E CB 0.046 29.445 29.700 -0.501 0.000 0.745 228 E HN 0.911 nan 8.360 nan 0.000 0.458 229 Q N -2.181 117.439 119.800 -0.299 0.000 2.253 229 Q HA -0.198 4.186 4.340 0.074 0.000 0.186 229 Q C 0.341 176.242 176.000 -0.165 0.000 0.624 229 Q CA 0.906 56.606 55.803 -0.170 0.000 1.417 229 Q CB -1.721 26.938 28.738 -0.131 0.000 1.543 229 Q HN 0.383 nan 8.270 nan 0.000 0.809 230 G N -0.153 108.532 108.800 -0.192 0.000 2.932 230 G HA2 0.564 4.568 3.960 0.074 0.000 0.283 230 G HA3 0.564 4.568 3.960 0.074 0.000 0.283 230 G C -2.421 172.402 174.900 -0.127 0.000 1.336 230 G CA -0.580 44.432 45.100 -0.147 0.000 1.056 230 G HN -0.079 nan 8.290 nan 0.000 0.522 231 P HA 0.146 nan 4.420 nan 0.000 0.252 231 P C 1.635 178.886 177.300 -0.081 0.000 1.218 231 P CA 0.024 63.074 63.100 -0.083 0.000 0.807 231 P CB 0.536 32.195 31.700 -0.069 0.000 1.072 232 I N 0.085 120.596 120.570 -0.097 0.000 2.127 232 I HA -0.253 3.961 4.170 0.074 0.000 0.241 232 I C 2.555 178.632 176.117 -0.067 0.000 1.075 232 I CA 1.560 62.807 61.300 -0.088 0.000 1.334 232 I CB -0.674 37.255 38.000 -0.118 0.000 1.040 232 I HN -0.159 nan 8.210 nan 0.000 0.405 233 L N -0.189 120.994 121.223 -0.067 0.000 2.093 233 L HA -0.196 4.189 4.340 0.074 0.000 0.208 233 L C 2.587 179.423 176.870 -0.056 0.000 1.085 233 L CA 1.289 56.094 54.840 -0.058 0.000 0.755 233 L CB -0.601 41.423 42.059 -0.058 0.000 0.904 233 L HN 0.313 nan 8.230 nan 0.000 0.435 234 E N 0.254 120.418 120.200 -0.060 0.000 2.072 234 E HA -0.234 4.160 4.350 0.074 0.000 0.191 234 E C 1.573 178.151 176.600 -0.037 0.000 0.985 234 E CA 1.301 57.673 56.400 -0.047 0.000 0.801 234 E CB 0.151 29.823 29.700 -0.046 0.000 0.750 234 E HN 0.414 nan 8.360 nan 0.000 0.452 235 D N 0.518 120.894 120.400 -0.040 0.000 2.178 235 D HA -0.116 4.569 4.640 0.074 0.000 0.201 235 D C 0.956 177.241 176.300 -0.025 0.000 0.980 235 D CA 0.971 54.952 54.000 -0.032 0.000 0.842 235 D CB 0.008 40.787 40.800 -0.036 0.000 0.948 235 D HN 0.293 nan 8.370 nan 0.000 0.472 236 E N 0.056 120.239 120.200 -0.027 0.000 2.465 236 E HA 0.075 4.470 4.350 0.074 0.000 0.195 236 E C -0.354 176.237 176.600 -0.015 0.000 1.028 236 E CA -0.303 56.086 56.400 -0.019 0.000 0.899 236 E CB -0.201 29.487 29.700 -0.020 0.000 1.032 236 E HN 0.236 nan 8.360 nan 0.000 0.468 237 N N 2.360 121.048 118.700 -0.019 0.000 2.686 237 N HA -0.163 4.622 4.740 0.074 0.000 0.261 237 N C -0.939 174.559 175.510 -0.020 0.000 1.001 237 N CA 0.310 53.350 53.050 -0.016 0.000 0.764 237 N CB -0.087 38.397 38.487 -0.005 0.000 0.898 237 N HN 0.001 nan 8.380 nan 0.000 0.544 238 K N -0.016 120.361 120.400 -0.038 0.000 2.118 238 K HA 0.463 4.827 4.320 0.074 0.000 0.254 238 K C 0.661 177.203 176.600 -0.097 0.000 0.961 238 K CA -0.028 56.225 56.287 -0.058 0.000 0.876 238 K CB 1.609 34.074 32.500 -0.058 0.000 1.077 238 K HN 0.186 nan 8.250 nan 0.000 0.440 239 A N 1.853 124.578 122.820 -0.160 0.000 1.997 239 A HA 0.204 4.568 4.320 0.074 0.000 0.212 239 A C 0.443 177.829 177.584 -0.330 0.000 1.178 239 A CA 0.792 52.677 52.037 -0.252 0.000 0.698 239 A CB 0.191 18.982 19.000 -0.349 0.000 0.842 239 A HN 0.548 nan 8.150 nan 0.000 0.458 240 I N -1.381 118.985 120.570 -0.341 0.000 2.686 240 I HA 0.543 4.758 4.170 0.074 0.000 0.295 240 I C 0.117 176.134 176.117 -0.167 0.000 1.114 240 I CA -0.260 60.864 61.300 -0.293 0.000 1.038 240 I CB 2.209 39.936 38.000 -0.454 0.000 1.238 240 I HN 0.088 nan 8.210 nan 0.000 0.420 241 G N 5.989 114.749 108.800 -0.067 0.000 2.416 241 G HA2 0.693 4.697 3.960 0.074 0.000 0.324 241 G HA3 0.693 4.697 3.960 0.074 0.000 0.324 241 G C -0.672 174.174 174.900 -0.091 0.000 1.194 241 G CA -0.443 44.640 45.100 -0.028 0.000 0.922 241 G HN 0.485 nan 8.290 nan 0.000 0.467 242 I N 2.680 123.189 120.570 -0.101 0.000 2.301 242 I HA 0.122 4.336 4.170 0.074 0.000 0.292 242 I C -0.054 176.015 176.117 -0.080 0.000 1.046 242 I CA -0.590 60.654 61.300 -0.094 0.000 1.282 242 I CB 1.459 39.422 38.000 -0.062 0.000 1.409 242 I HN 0.014 nan 8.210 nan 0.000 0.484 243 V N 5.567 125.396 119.914 -0.142 0.000 2.432 243 V HA 0.110 4.274 4.120 0.074 0.000 0.271 243 V C 1.235 177.443 176.094 0.191 0.000 1.046 243 V CA -0.117 62.121 62.300 -0.104 0.000 0.945 243 V CB 0.978 32.573 31.823 -0.379 0.000 0.992 243 V HN 0.903 nan 8.190 nan 0.000 0.471 244 T N 0.584 115.260 114.554 0.204 0.000 3.014 244 T HA 0.509 4.904 4.350 0.074 0.000 0.250 244 T C 0.696 175.441 174.700 0.075 0.000 1.060 244 T CA 0.471 62.697 62.100 0.209 0.000 1.040 244 T CB 0.600 69.545 68.868 0.129 0.000 0.971 244 T HN 1.103 nan 8.240 nan 0.000 0.497 245 G N 0.052 108.809 108.800 -0.071 0.000 2.430 245 G HA2 0.505 4.510 3.960 0.074 0.000 0.300 245 G HA3 0.505 4.510 3.960 0.074 0.000 0.300 245 G C -2.215 172.524 174.900 -0.268 0.000 1.330 245 G CA -0.435 44.372 45.100 -0.488 0.000 0.813 245 G HN 0.326 nan 8.290 nan 0.000 0.487 246 V N 0.685 120.420 119.914 -0.299 0.000 2.789 246 V HA 0.541 4.705 4.120 0.074 0.000 0.311 246 V C 0.278 176.341 176.094 -0.051 0.000 1.073 246 V CA -0.858 61.418 62.300 -0.039 0.000 0.921 246 V CB 1.539 33.349 31.823 -0.021 0.000 1.009 246 V HN 1.134 nan 8.190 nan 0.000 0.426 247 Q N 3.414 123.240 119.800 0.043 0.000 2.443 247 Q HA 0.686 5.070 4.340 0.074 0.000 0.232 247 Q C 0.030 176.070 176.000 0.066 0.000 1.026 247 Q CA -0.278 55.487 55.803 -0.064 0.000 0.924 247 Q CB 1.068 29.770 28.738 -0.060 0.000 1.256 247 Q HN 0.909 nan 8.270 nan 0.000 0.519 248 A N 1.625 124.468 122.820 0.038 0.000 2.340 248 A HA 0.557 4.921 4.320 0.074 0.000 0.268 248 A C -1.012 176.717 177.584 0.241 0.000 1.100 248 A CA -0.428 51.650 52.037 0.068 0.000 0.803 248 A CB -0.013 18.983 19.000 -0.007 0.000 1.043 248 A HN 0.758 nan 8.150 nan 0.000 0.488 249 Y N -0.889 119.413 120.300 0.004 0.000 2.655 249 Y HA 0.741 5.334 4.550 0.072 0.000 0.336 249 Y C -0.886 175.046 175.900 0.053 0.000 1.154 249 Y CA -1.289 56.856 58.100 0.074 0.000 1.055 249 Y CB 1.443 39.959 38.460 0.093 0.000 1.295 249 Y HN 0.660 nan 8.280 nan 0.000 0.465 250 N N 0.524 119.411 118.700 0.311 0.000 2.425 250 N HA 0.431 5.215 4.740 0.074 0.000 0.289 250 N C -2.451 173.413 175.510 0.591 0.000 1.074 250 N CA -0.420 52.783 53.050 0.255 0.000 0.905 250 N CB 1.361 39.981 38.487 0.222 0.000 1.586 250 N HN 0.616 nan 8.380 nan 0.000 0.490 251 W N 2.125 123.529 121.300 0.173 0.000 2.529 251 W HA 0.542 5.258 4.660 0.094 0.000 0.321 251 W C -0.265 176.342 176.519 0.147 0.000 1.047 251 W CA -0.517 56.932 57.345 0.173 0.000 1.216 251 W CB 1.324 30.872 29.460 0.146 0.000 1.357 251 W HN 0.411 nan 8.180 nan 0.000 0.489 252 Q N 1.588 121.595 119.800 0.345 0.000 2.423 252 Q HA 0.443 4.827 4.340 0.074 0.000 0.278 252 Q C -1.021 175.056 176.000 0.128 0.000 1.097 252 Q CA -1.163 54.781 55.803 0.236 0.000 0.809 252 Q CB 3.609 32.511 28.738 0.274 0.000 1.391 252 Q HN 0.354 nan 8.270 nan 0.000 0.428 253 K N 1.430 121.873 120.400 0.072 0.000 2.358 253 K HA 0.527 4.891 4.320 0.074 0.000 0.260 253 K C -1.567 174.979 176.600 -0.089 0.000 0.956 253 K CA -0.440 55.828 56.287 -0.032 0.000 0.834 253 K CB 1.433 33.933 32.500 0.000 0.000 1.102 253 K HN 0.327 nan 8.250 nan 0.000 0.431 254 V N 3.503 123.223 119.914 -0.324 0.000 2.472 254 V HA 0.419 4.583 4.120 0.074 0.000 0.290 254 V C -0.557 175.330 176.094 -0.344 0.000 1.037 254 V CA -0.494 61.591 62.300 -0.357 0.000 0.908 254 V CB 1.975 33.390 31.823 -0.679 0.000 0.985 254 V HN 0.912 nan 8.190 nan 0.000 0.454 255 T N 4.073 118.568 114.554 -0.099 0.000 2.809 255 T HA 0.548 4.942 4.350 0.074 0.000 0.284 255 T C -0.547 174.128 174.700 -0.041 0.000 0.992 255 T CA -0.398 61.643 62.100 -0.098 0.000 0.957 255 T CB 1.526 70.357 68.868 -0.061 0.000 0.942 255 T HN 0.315 nan 8.240 nan 0.000 0.439 256 V N 3.883 123.742 119.914 -0.091 0.000 2.398 256 V HA 0.376 4.540 4.120 0.074 0.000 0.286 256 V C -0.563 175.433 176.094 -0.163 0.000 1.026 256 V CA -0.860 61.439 62.300 -0.001 0.000 0.868 256 V CB 0.939 32.797 31.823 0.058 0.000 0.982 256 V HN 0.882 nan 8.190 nan 0.000 0.443 257 H N 2.627 121.755 119.070 0.097 0.000 2.541 257 H HA 0.689 5.296 4.556 0.086 0.000 0.316 257 H C 0.536 175.902 175.328 0.064 0.000 1.043 257 H CA 0.428 56.518 56.048 0.070 0.000 1.232 257 H CB 1.692 31.489 29.762 0.058 0.000 1.406 257 H HN 0.866 nan 8.280 nan 0.000 0.469 258 G N 1.486 110.368 108.800 0.137 0.000 3.234 258 G HA2 0.524 4.528 3.960 0.074 0.000 0.159 258 G HA3 0.524 4.528 3.960 0.074 0.000 0.159 258 G C -1.149 173.803 174.900 0.088 0.000 1.175 258 G CA -0.577 44.582 45.100 0.098 0.000 0.900 258 G HN 0.455 nan 8.290 nan 0.000 0.621 259 V N 0.439 120.389 119.914 0.059 0.000 2.577 259 V HA 0.624 4.788 4.120 0.074 0.000 0.303 259 V C 0.594 176.707 176.094 0.032 0.000 1.042 259 V CA -0.465 61.863 62.300 0.048 0.000 0.872 259 V CB 1.275 33.122 31.823 0.040 0.000 0.998 259 V HN 0.987 nan 8.190 nan 0.000 0.423 260 G N 3.106 111.924 108.800 0.030 0.000 2.378 260 G HA2 0.635 4.639 3.960 0.074 0.000 0.255 260 G HA3 0.635 4.639 3.960 0.074 0.000 0.255 260 G C -0.123 174.783 174.900 0.009 0.000 1.270 260 G CA 0.686 45.795 45.100 0.015 0.000 0.876 260 G HN 1.330 nan 8.290 nan 0.000 0.521 261 A N 2.131 124.950 122.820 -0.003 0.000 2.586 261 A HA 0.591 4.955 4.320 0.074 0.000 0.290 261 A C -0.705 176.885 177.584 0.011 0.000 1.086 261 A CA -0.790 51.254 52.037 0.012 0.000 0.665 261 A CB 0.807 19.816 19.000 0.014 0.000 1.279 261 A HN 0.818 nan 8.150 nan 0.000 0.423 262 H N 1.069 120.110 119.070 -0.048 0.000 3.004 262 H HA 0.320 4.922 4.556 0.077 0.000 0.316 262 H C 1.370 176.646 175.328 -0.086 0.000 1.014 262 H CA 0.922 56.935 56.048 -0.057 0.000 1.454 262 H CB 1.461 31.193 29.762 -0.050 0.000 1.472 262 H HN 0.755 nan 8.280 nan 0.000 0.571 263 A N 3.789 126.640 122.820 0.051 0.000 2.119 263 A HA -0.034 4.330 4.320 0.074 0.000 0.217 263 A C 2.181 179.785 177.584 0.033 0.000 1.153 263 A CA 1.168 53.201 52.037 -0.006 0.000 0.692 263 A CB -0.118 18.843 19.000 -0.066 0.000 0.799 263 A HN 0.771 nan 8.150 nan 0.000 0.458 264 G N -1.425 107.519 108.800 0.239 0.000 2.762 264 G HA2 0.142 4.146 3.960 0.074 0.000 0.209 264 G HA3 0.142 4.146 3.960 0.074 0.000 0.209 264 G C 1.292 176.140 174.900 -0.086 0.000 1.134 264 G CA 1.321 46.455 45.100 0.057 0.000 0.781 264 G HN 0.637 nan 8.290 nan 0.000 0.528 265 T N -2.654 111.819 114.554 -0.134 0.000 3.003 265 T HA 0.189 4.584 4.350 0.074 0.000 0.261 265 T C 0.631 175.256 174.700 -0.125 0.000 1.003 265 T CA 0.035 62.026 62.100 -0.181 0.000 0.917 265 T CB 0.510 69.198 68.868 -0.299 0.000 1.084 265 T HN -0.057 nan 8.240 nan 0.000 0.522 266 T N 5.653 120.139 114.554 -0.114 0.000 2.727 266 T HA 0.457 4.851 4.350 0.074 0.000 0.298 266 T C -2.567 172.013 174.700 -0.200 0.000 0.942 266 T CA -1.146 60.883 62.100 -0.118 0.000 0.997 266 T CB 1.221 70.035 68.868 -0.089 0.000 0.917 266 T HN 0.237 nan 8.240 nan 0.000 0.487 267 P HA 0.138 nan 4.420 nan 0.000 0.274 267 P C 0.240 177.462 177.300 -0.130 0.000 1.237 267 P CA -0.633 62.379 63.100 -0.147 0.000 0.793 267 P CB 1.023 32.710 31.700 -0.021 0.000 0.977 268 W N 1.626 122.930 121.300 0.007 0.000 2.304 268 W HA -0.213 4.489 4.660 0.070 0.000 0.315 268 W C 2.661 179.186 176.519 0.010 0.000 1.233 268 W CA 1.702 59.052 57.345 0.008 0.000 1.261 268 W CB -0.961 28.503 29.460 0.006 0.000 1.150 268 W HN 0.437 nan 8.180 nan 0.000 0.494 269 R N 0.587 121.223 120.500 0.226 0.000 2.303 269 R HA -0.118 4.267 4.340 0.074 0.000 0.225 269 R C 1.262 177.614 176.300 0.087 0.000 1.114 269 R CA 1.548 57.729 56.100 0.135 0.000 1.007 269 R CB -0.860 29.500 30.300 0.100 0.000 0.861 269 R HN 0.312 nan 8.270 nan 0.000 0.471 270 L N 0.094 121.354 121.223 0.062 0.000 2.858 270 L HA 0.296 4.681 4.340 0.074 0.000 0.251 270 L C 0.439 177.326 176.870 0.029 0.000 1.149 270 L CA -0.472 54.389 54.840 0.035 0.000 0.955 270 L CB 0.273 42.340 42.059 0.013 0.000 1.289 270 L HN 0.023 nan 8.230 nan 0.000 0.542 271 R N 1.724 122.244 120.500 0.034 0.000 2.537 271 R HA 0.162 4.546 4.340 0.074 0.000 0.280 271 R C -0.199 176.133 176.300 0.053 0.000 1.058 271 R CA 0.280 56.392 56.100 0.021 0.000 1.057 271 R CB 0.557 30.860 30.300 0.004 0.000 0.973 271 R HN 0.017 nan 8.270 nan 0.000 0.438 272 K N 2.221 122.646 120.400 0.041 0.000 2.679 272 K HA 0.087 4.451 4.320 0.074 0.000 0.188 272 K C -1.033 175.595 176.600 0.047 0.000 1.055 272 K CA -0.393 55.927 56.287 0.054 0.000 1.006 272 K CB 0.852 33.385 32.500 0.056 0.000 1.317 272 K HN 0.401 nan 8.250 nan 0.000 0.584 273 D N 1.554 121.984 120.400 0.051 0.000 2.365 273 D HA 0.140 4.824 4.640 0.074 0.000 0.237 273 D C 0.849 177.170 176.300 0.035 0.000 1.190 273 D CA -0.064 53.958 54.000 0.037 0.000 0.867 273 D CB 1.464 42.292 40.800 0.048 0.000 1.050 273 D HN 0.531 nan 8.370 nan 0.000 0.491 274 A N 4.089 126.925 122.820 0.027 0.000 2.015 274 A HA -0.144 4.220 4.320 0.074 0.000 0.219 274 A C 1.794 179.383 177.584 0.007 0.000 1.163 274 A CA 0.650 52.701 52.037 0.023 0.000 0.646 274 A CB -0.113 18.897 19.000 0.018 0.000 0.806 274 A HN 0.559 nan 8.150 nan 0.000 0.448 275 L N -1.102 120.120 121.223 -0.002 0.000 2.202 275 L HA 0.113 4.497 4.340 0.074 0.000 0.205 275 L C 2.099 178.946 176.870 -0.039 0.000 1.083 275 L CA 1.390 56.214 54.840 -0.026 0.000 0.790 275 L CB -0.616 41.429 42.059 -0.024 0.000 0.942 275 L HN 0.320 nan 8.230 nan 0.000 0.452 276 L N -0.834 120.385 121.223 -0.006 0.000 2.013 276 L HA -0.234 4.150 4.340 0.074 0.000 0.212 276 L C 2.415 179.274 176.870 -0.020 0.000 1.073 276 L CA 1.962 56.806 54.840 0.006 0.000 0.753 276 L CB -0.610 41.486 42.059 0.061 0.000 0.890 276 L HN 0.249 nan 8.230 nan 0.000 0.432 277 M N -0.782 118.809 119.600 -0.014 0.000 2.073 277 M HA -0.221 4.303 4.480 0.074 0.000 0.258 277 M C 2.429 178.667 176.300 -0.104 0.000 1.070 277 M CA 2.179 57.458 55.300 -0.035 0.000 1.103 277 M CB -1.222 31.372 32.600 -0.010 0.000 1.321 277 M HN 0.379 nan 8.290 nan 0.000 0.405 278 S N 0.297 115.920 115.700 -0.129 0.000 2.383 278 S HA -0.114 4.400 4.470 0.074 0.000 0.229 278 S C 2.029 176.396 174.600 -0.389 0.000 1.030 278 S CA 1.552 59.567 58.200 -0.308 0.000 1.002 278 S CB -0.312 62.694 63.200 -0.323 0.000 0.829 278 S HN 0.477 nan 8.310 nan 0.000 0.467 279 S N 1.752 117.313 115.700 -0.231 0.000 2.359 279 S HA -0.136 4.379 4.470 0.074 0.000 0.224 279 S C 1.840 176.363 174.600 -0.128 0.000 1.035 279 S CA 1.250 59.346 58.200 -0.173 0.000 1.018 279 S CB -0.273 62.867 63.200 -0.101 0.000 0.876 279 S HN 0.475 nan 8.310 nan 0.000 0.448 280 K N 0.690 121.034 120.400 -0.094 0.000 2.063 280 K HA -0.031 4.333 4.320 0.074 0.000 0.208 280 K C 2.204 178.781 176.600 -0.039 0.000 1.048 280 K CA 1.456 57.712 56.287 -0.050 0.000 0.928 280 K CB -0.248 32.235 32.500 -0.028 0.000 0.713 280 K HN 0.340 nan 8.250 nan 0.000 0.442 281 M N 0.112 119.649 119.600 -0.104 0.000 2.132 281 M HA -0.128 4.396 4.480 0.074 0.000 0.263 281 M C 2.119 178.429 176.300 0.018 0.000 1.065 281 M CA 1.479 56.740 55.300 -0.064 0.000 1.122 281 M CB -0.235 32.106 32.600 -0.432 0.000 1.365 281 M HN 0.096 nan 8.290 nan 0.000 0.411 282 I N -0.420 120.072 120.570 -0.131 0.000 2.208 282 I HA -0.276 3.938 4.170 0.074 0.000 0.245 282 I C 2.284 178.419 176.117 0.030 0.000 1.097 282 I CA 1.132 62.418 61.300 -0.023 0.000 1.363 282 I CB -0.336 37.590 38.000 -0.124 0.000 1.051 282 I HN 0.074 nan 8.210 nan 0.000 0.413 283 V N 0.896 120.808 119.914 -0.002 0.000 2.295 283 V HA -0.301 3.863 4.120 0.074 0.000 0.246 283 V C 2.672 178.772 176.094 0.011 0.000 1.049 283 V CA 2.046 64.355 62.300 0.014 0.000 1.024 283 V CB -1.028 30.795 31.823 -0.000 0.000 0.648 283 V HN 0.505 nan 8.190 nan 0.000 0.447 284 A N -0.060 122.773 122.820 0.022 0.000 1.902 284 A HA -0.086 4.278 4.320 0.074 0.000 0.217 284 A C 2.424 179.999 177.584 -0.014 0.000 1.181 284 A CA 2.002 54.059 52.037 0.034 0.000 0.623 284 A CB -0.785 18.271 19.000 0.094 0.000 0.818 284 A HN 0.568 nan 8.150 nan 0.000 0.443 285 A N -0.907 121.859 122.820 -0.091 0.000 1.933 285 A HA -0.112 4.252 4.320 0.074 0.000 0.218 285 A C 2.458 179.808 177.584 -0.391 0.000 1.175 285 A CA 2.136 53.962 52.037 -0.352 0.000 0.628 285 A CB -0.969 17.463 19.000 -0.946 0.000 0.814 285 A HN 0.496 nan 8.150 nan 0.000 0.444 286 S N -0.563 114.991 115.700 -0.242 0.000 2.353 286 S HA -0.212 4.302 4.470 0.074 0.000 0.222 286 S C 1.929 176.585 174.600 0.094 0.000 1.035 286 S CA 1.857 60.116 58.200 0.100 0.000 1.025 286 S CB -0.324 62.976 63.200 0.166 0.000 0.902 286 S HN 0.688 nan 8.310 nan 0.000 0.440 287 E N 0.180 120.411 120.200 0.051 0.000 2.150 287 E HA -0.049 4.345 4.350 0.074 0.000 0.193 287 E C 2.007 178.648 176.600 0.069 0.000 0.985 287 E CA 1.087 57.519 56.400 0.052 0.000 0.814 287 E CB -0.168 29.549 29.700 0.028 0.000 0.752 287 E HN 0.532 nan 8.360 nan 0.000 0.466 288 I N 1.050 121.667 120.570 0.079 0.000 2.179 288 I HA -0.281 3.934 4.170 0.074 0.000 0.242 288 I C 2.494 178.767 176.117 0.260 0.000 1.088 288 I CA 1.013 62.394 61.300 0.135 0.000 1.357 288 I CB -0.245 37.801 38.000 0.075 0.000 1.051 288 I HN 0.099 nan 8.210 nan 0.000 0.409 289 A N -0.158 122.839 122.820 0.295 0.000 1.902 289 A HA -0.282 4.082 4.320 0.074 0.000 0.217 289 A C 2.267 180.013 177.584 0.270 0.000 1.181 289 A CA 1.716 53.971 52.037 0.363 0.000 0.623 289 A CB -0.674 18.584 19.000 0.430 0.000 0.818 289 A HN 0.446 nan 8.150 nan 0.000 0.443 290 Q N -1.067 118.845 119.800 0.186 0.000 2.084 290 Q HA -0.195 4.190 4.340 0.074 0.000 0.202 290 Q C 2.344 178.396 176.000 0.085 0.000 0.978 290 Q CA 1.659 57.537 55.803 0.126 0.000 0.844 290 Q CB -0.152 28.639 28.738 0.087 0.000 0.898 290 Q HN 0.687 nan 8.270 nan 0.000 0.426 291 R N -0.397 120.128 120.500 0.041 0.000 2.103 291 R HA -0.185 4.200 4.340 0.074 0.000 0.242 291 R C 1.284 177.480 176.300 -0.173 0.000 1.142 291 R CA 1.610 57.654 56.100 -0.094 0.000 0.960 291 R CB -0.052 30.148 30.300 -0.168 0.000 0.858 291 R HN 0.414 nan 8.270 nan 0.000 0.439 292 H N -0.068 119.055 119.070 0.089 0.000 2.551 292 H HA 0.138 4.738 4.556 0.073 0.000 0.271 292 H C -0.022 175.438 175.328 0.219 0.000 0.984 292 H CA 0.221 56.332 56.048 0.105 0.000 1.164 292 H CB 0.431 30.226 29.762 0.055 0.000 1.437 292 H HN 0.289 nan 8.280 nan 0.000 0.550 293 N N 0.424 119.279 118.700 0.259 0.000 2.747 293 N HA -0.126 4.659 4.740 0.074 0.000 0.249 293 N C 0.620 176.260 175.510 0.216 0.000 1.107 293 N CA 0.974 54.153 53.050 0.215 0.000 0.707 293 N CB -1.398 37.201 38.487 0.188 0.000 1.054 293 N HN 0.536 nan 8.380 nan 0.000 0.555 294 G N -0.854 108.144 108.800 0.330 0.000 2.795 294 G HA2 0.834 4.839 3.960 0.074 0.000 0.267 294 G HA3 0.834 4.839 3.960 0.074 0.000 0.267 294 G C -0.380 174.669 174.900 0.249 0.000 1.362 294 G CA -0.688 44.606 45.100 0.323 0.000 1.048 294 G HN 0.100 nan 8.290 nan 0.000 0.547 295 L N -0.531 120.853 121.223 0.268 0.000 2.381 295 L HA 0.626 5.010 4.340 0.074 0.000 0.268 295 L C -1.453 175.570 176.870 0.256 0.000 0.997 295 L CA -0.743 54.224 54.840 0.212 0.000 0.818 295 L CB 2.485 44.620 42.059 0.126 0.000 1.310 295 L HN 0.509 nan 8.230 nan 0.000 0.416 296 F N 1.108 121.047 119.950 -0.018 0.000 2.561 296 F HA 0.706 5.275 4.527 0.069 0.000 0.313 296 F C -0.963 174.733 175.800 -0.173 0.000 1.126 296 F CA -0.102 57.754 58.000 -0.241 0.000 0.918 296 F CB 2.194 40.963 39.000 -0.385 0.000 1.199 296 F HN 0.323 nan 8.300 nan 0.000 0.444 297 T N 4.889 118.729 114.554 -1.190 0.000 2.916 297 T HA 0.328 4.722 4.350 0.074 0.000 0.298 297 T C -1.637 172.323 174.700 -1.233 0.000 1.031 297 T CA -0.561 60.931 62.100 -1.013 0.000 0.993 297 T CB 1.250 69.838 68.868 -0.467 0.000 1.045 297 T HN 0.780 nan 8.240 nan 0.000 0.454 298 C N 2.782 121.571 119.300 -0.852 0.000 2.251 298 C HA 0.748 5.252 4.460 0.074 0.000 0.323 298 C C 1.553 176.395 174.990 -0.247 0.000 1.241 298 C CA -0.072 58.708 59.018 -0.396 0.000 1.601 298 C CB -1.003 26.667 27.740 -0.117 0.000 2.251 298 C HN 1.141 nan 8.230 nan 0.000 0.488 299 G N 4.743 113.410 108.800 -0.222 0.000 2.784 299 G HA2 0.281 4.285 3.960 0.074 0.000 0.208 299 G HA3 0.281 4.285 3.960 0.074 0.000 0.208 299 G C 0.237 175.066 174.900 -0.119 0.000 1.120 299 G CA 0.194 45.187 45.100 -0.178 0.000 0.774 299 G HN 0.664 nan 8.290 nan 0.000 0.528 300 I N 0.737 121.256 120.570 -0.086 0.000 2.498 300 I HA 0.560 4.775 4.170 0.074 0.000 0.290 300 I C -1.399 174.740 176.117 0.038 0.000 1.032 300 I CA -0.823 60.454 61.300 -0.039 0.000 1.073 300 I CB 2.598 40.563 38.000 -0.058 0.000 1.251 300 I HN -0.067 nan 8.210 nan 0.000 0.426 301 I N 5.629 126.221 120.570 0.038 0.000 2.656 301 I HA 0.427 4.641 4.170 0.074 0.000 0.292 301 I C -1.850 174.306 176.117 0.065 0.000 1.144 301 I CA -0.182 61.166 61.300 0.082 0.000 1.038 301 I CB 1.979 40.002 38.000 0.038 0.000 1.244 301 I HN 0.504 nan 8.210 nan 0.000 0.420 302 D N 6.964 127.414 120.400 0.084 0.000 2.896 302 D HA 0.576 5.260 4.640 0.074 0.000 0.241 302 D C -1.172 175.183 176.300 0.092 0.000 1.188 302 D CA -0.310 53.735 54.000 0.075 0.000 0.879 302 D CB 2.448 43.268 40.800 0.034 0.000 1.553 302 D HN 0.565 nan 8.370 nan 0.000 0.515 303 A N 2.324 125.226 122.820 0.136 0.000 2.337 303 A HA 0.685 5.049 4.320 0.074 0.000 0.329 303 A C -0.415 177.264 177.584 0.158 0.000 1.146 303 A CA -0.618 51.492 52.037 0.121 0.000 0.800 303 A CB 1.429 20.484 19.000 0.091 0.000 1.220 303 A HN 0.413 nan 8.150 nan 0.000 0.472 304 K N 1.962 122.419 120.400 0.094 0.000 2.385 304 K HA 0.493 4.857 4.320 0.074 0.000 0.248 304 K C -2.354 174.285 176.600 0.064 0.000 0.955 304 K CA -1.783 54.560 56.287 0.093 0.000 0.816 304 K CB 2.307 34.842 32.500 0.058 0.000 1.250 304 K HN 0.300 nan 8.250 nan 0.000 0.434 305 P HA -0.043 nan 4.420 nan 0.000 0.245 305 P C -1.000 176.403 177.300 0.171 0.000 1.212 305 P CA 0.145 63.297 63.100 0.086 0.000 0.774 305 P CB -0.018 31.711 31.700 0.050 0.000 0.999 306 Y N -0.817 119.472 120.300 -0.019 0.000 2.969 306 Y HA -0.128 4.414 4.550 -0.013 0.000 0.087 306 Y C -0.895 174.990 175.900 -0.026 0.000 2.199 306 Y CA 0.274 58.362 58.100 -0.020 0.000 1.061 306 Y CB -1.738 36.714 38.460 -0.014 0.000 1.722 306 Y HN 0.025 nan 8.280 nan 0.000 0.316 307 S N 2.253 117.842 115.700 -0.184 0.000 2.543 307 S HA 0.535 5.050 4.470 0.074 0.000 0.274 307 S C 0.258 174.748 174.600 -0.185 0.000 1.149 307 S CA -0.320 57.787 58.200 -0.154 0.000 0.866 307 S CB 1.334 64.490 63.200 -0.074 0.000 1.111 307 S HN 0.500 nan 8.310 nan 0.000 0.457 308 V N 3.107 122.924 119.914 -0.163 0.000 2.392 308 V HA -0.132 4.032 4.120 0.074 0.000 0.249 308 V C 1.561 177.582 176.094 -0.122 0.000 1.059 308 V CA 2.254 64.471 62.300 -0.139 0.000 1.051 308 V CB -0.756 31.005 31.823 -0.104 0.000 0.658 308 V HN 0.888 nan 8.190 nan 0.000 0.455 309 N N -0.180 118.439 118.700 -0.135 0.000 2.389 309 N HA 0.227 5.012 4.740 0.074 0.000 0.260 309 N C -0.385 174.998 175.510 -0.212 0.000 1.191 309 N CA -0.023 52.928 53.050 -0.165 0.000 0.885 309 N CB -0.011 38.363 38.487 -0.188 0.000 1.162 309 N HN 0.444 nan 8.380 nan 0.000 0.512 310 I N 0.801 121.280 120.570 -0.151 0.000 2.447 310 I HA 0.358 4.572 4.170 0.074 0.000 0.287 310 I C -0.045 176.022 176.117 -0.083 0.000 1.023 310 I CA -1.068 60.160 61.300 -0.120 0.000 1.083 310 I CB 1.999 39.945 38.000 -0.091 0.000 1.245 310 I HN -0.147 nan 8.210 nan 0.000 0.434 311 I N 7.977 128.506 120.570 -0.068 0.000 2.752 311 I HA 0.011 4.226 4.170 0.074 0.000 0.286 311 I C -2.015 174.086 176.117 -0.027 0.000 1.180 311 I CA -1.065 60.205 61.300 -0.050 0.000 1.404 311 I CB 0.004 37.976 38.000 -0.047 0.000 1.389 311 I HN 0.211 nan 8.210 nan 0.000 0.549 312 P HA 0.015 nan 4.420 nan 0.000 0.267 312 P C 0.764 178.071 177.300 0.012 0.000 1.209 312 P CA 0.156 63.255 63.100 -0.001 0.000 0.763 312 P CB 0.847 32.548 31.700 0.000 0.000 0.816 313 G N 2.460 111.274 108.800 0.022 0.000 2.683 313 G HA2 -0.023 3.982 3.960 0.074 0.000 0.213 313 G HA3 -0.023 3.982 3.960 0.074 0.000 0.213 313 G C 0.131 175.051 174.900 0.034 0.000 1.142 313 G CA 0.259 45.382 45.100 0.038 0.000 0.793 313 G HN 0.555 nan 8.290 nan 0.000 0.534 314 E N -0.199 120.004 120.200 0.005 0.000 2.311 314 E HA 0.456 4.851 4.350 0.074 0.000 0.281 314 E C -1.934 174.643 176.600 -0.037 0.000 0.905 314 E CA -0.477 55.883 56.400 -0.066 0.000 0.778 314 E CB 2.467 32.131 29.700 -0.060 0.000 1.240 314 E HN -0.101 nan 8.360 nan 0.000 0.410 315 V N 2.715 122.601 119.914 -0.046 0.000 2.577 315 V HA 0.442 4.606 4.120 0.074 0.000 0.303 315 V C -0.410 175.718 176.094 0.056 0.000 1.042 315 V CA -0.729 61.594 62.300 0.038 0.000 0.872 315 V CB 2.011 33.883 31.823 0.083 0.000 0.998 315 V HN 0.633 nan 8.190 nan 0.000 0.423 316 S N 4.897 120.640 115.700 0.071 0.000 2.475 316 S HA 0.903 5.417 4.470 0.074 0.000 0.298 316 S C -0.772 173.928 174.600 0.166 0.000 1.119 316 S CA -0.442 57.780 58.200 0.036 0.000 1.085 316 S CB 0.982 64.183 63.200 0.000 0.000 1.028 316 S HN 0.677 nan 8.310 nan 0.000 0.489 317 F N -0.548 119.393 119.950 -0.016 0.000 2.668 317 F HA 0.743 5.299 4.527 0.047 0.000 0.309 317 F C -0.286 175.518 175.800 0.006 0.000 1.117 317 F CA -1.099 56.891 58.000 -0.016 0.000 0.951 317 F CB 0.749 39.737 39.000 -0.021 0.000 1.323 317 F HN 0.453 nan 8.300 nan 0.000 0.451 318 T N 0.757 115.384 114.554 0.121 0.000 2.902 318 T HA 0.769 5.163 4.350 0.074 0.000 0.283 318 T C -0.830 173.929 174.700 0.097 0.000 1.009 318 T CA -0.771 61.333 62.100 0.008 0.000 1.051 318 T CB 1.528 70.332 68.868 -0.107 0.000 0.999 318 T HN 0.770 nan 8.240 nan 0.000 0.474 319 L N 2.417 123.706 121.223 0.110 0.000 2.349 319 L HA 0.484 4.869 4.340 0.074 0.000 0.278 319 L C -0.719 176.207 176.870 0.093 0.000 0.996 319 L CA -0.891 54.089 54.840 0.234 0.000 0.825 319 L CB 1.743 44.130 42.059 0.547 0.000 1.243 319 L HN 0.738 nan 8.230 nan 0.000 0.412 320 D N 3.729 124.027 120.400 -0.171 0.000 2.461 320 D HA 0.352 5.036 4.640 0.074 0.000 0.240 320 D C -1.175 175.147 176.300 0.037 0.000 1.094 320 D CA -0.168 53.821 54.000 -0.017 0.000 0.868 320 D CB 0.691 41.330 40.800 -0.269 0.000 1.062 320 D HN 0.111 nan 8.370 nan 0.000 0.530 321 F N 2.996 123.174 119.950 0.380 0.000 2.421 321 F HA 0.529 5.104 4.527 0.080 0.000 0.337 321 F C 0.941 176.927 175.800 0.310 0.000 1.105 321 F CA -0.611 57.598 58.000 0.348 0.000 1.049 321 F CB 1.377 40.553 39.000 0.294 0.000 1.139 321 F HN 0.005 nan 8.300 nan 0.000 0.479 322 R N 2.403 123.179 120.500 0.460 0.000 2.698 322 R HA 0.486 4.870 4.340 0.074 0.000 0.275 322 R C -1.649 174.840 176.300 0.315 0.000 1.001 322 R CA -1.050 55.258 56.100 0.347 0.000 0.896 322 R CB 2.727 33.177 30.300 0.250 0.000 1.218 322 R HN 0.639 nan 8.270 nan 0.000 0.462 323 H N 2.415 121.562 119.070 0.128 0.000 3.085 323 H HA 0.164 4.764 4.556 0.073 0.000 0.356 323 H C -2.251 173.024 175.328 -0.089 0.000 1.178 323 H CA -1.623 54.448 56.048 0.039 0.000 1.214 323 H CB 2.899 32.677 29.762 0.026 0.000 1.881 323 H HN 0.283 nan 8.280 nan 0.000 0.538 324 P HA -0.116 nan 4.420 nan 0.000 0.219 324 P C 0.562 177.771 177.300 -0.152 0.000 1.146 324 P CA 0.761 63.586 63.100 -0.458 0.000 0.808 324 P CB 0.426 31.532 31.700 -0.990 0.000 0.779 325 S N 0.014 115.827 115.700 0.189 0.000 2.457 325 S HA 0.162 4.676 4.470 0.074 0.000 0.289 325 S C 1.012 175.585 174.600 -0.046 0.000 1.163 325 S CA -0.698 57.511 58.200 0.016 0.000 1.078 325 S CB 0.293 63.475 63.200 -0.029 0.000 0.987 325 S HN -0.146 nan 8.310 nan 0.000 0.482 326 D N 3.993 124.345 120.400 -0.080 0.000 2.104 326 D HA -0.130 4.554 4.640 0.074 0.000 0.194 326 D C 0.957 177.187 176.300 -0.116 0.000 0.994 326 D CA 1.618 55.565 54.000 -0.089 0.000 0.830 326 D CB -0.100 40.645 40.800 -0.092 0.000 0.959 326 D HN 0.678 nan 8.370 nan 0.000 0.452 327 D N 0.006 120.330 120.400 -0.127 0.000 2.144 327 D HA -0.095 4.589 4.640 0.074 0.000 0.199 327 D C 2.264 178.442 176.300 -0.203 0.000 0.984 327 D CA 0.362 54.277 54.000 -0.142 0.000 0.834 327 D CB -0.224 40.506 40.800 -0.117 0.000 0.955 327 D HN 0.086 nan 8.370 nan 0.000 0.465 328 V N 0.641 120.386 119.914 -0.282 0.000 2.453 328 V HA -0.150 4.014 4.120 0.074 0.000 0.247 328 V C 2.324 178.177 176.094 -0.401 0.000 1.048 328 V CA 0.771 62.807 62.300 -0.439 0.000 1.049 328 V CB -0.403 30.948 31.823 -0.787 0.000 0.672 328 V HN 0.141 nan 8.190 nan 0.000 0.457 329 L N 1.160 122.228 121.223 -0.257 0.000 2.012 329 L HA -0.164 4.220 4.340 0.074 0.000 0.210 329 L C 2.500 179.251 176.870 -0.198 0.000 1.073 329 L CA 2.448 57.205 54.840 -0.139 0.000 0.748 329 L CB -0.902 41.143 42.059 -0.023 0.000 0.891 329 L HN 0.241 nan 8.230 nan 0.000 0.431 330 A N -1.832 120.878 122.820 -0.183 0.000 1.940 330 A HA -0.226 4.138 4.320 0.074 0.000 0.219 330 A C 2.260 179.707 177.584 -0.229 0.000 1.176 330 A CA 2.369 54.299 52.037 -0.179 0.000 0.631 330 A CB -1.195 17.721 19.000 -0.140 0.000 0.814 330 A HN 0.538 nan 8.150 nan 0.000 0.446 331 T N 0.033 114.421 114.554 -0.277 0.000 2.737 331 T HA -0.150 4.244 4.350 0.074 0.000 0.265 331 T C 1.956 176.406 174.700 -0.416 0.000 1.038 331 T CA 1.773 63.679 62.100 -0.324 0.000 1.144 331 T CB -0.329 68.319 68.868 -0.367 0.000 0.866 331 T HN 0.458 nan 8.240 nan 0.000 0.434 332 M N 0.602 119.894 119.600 -0.513 0.000 2.082 332 M HA -0.071 4.454 4.480 0.074 0.000 0.258 332 M C 2.228 178.171 176.300 -0.594 0.000 1.069 332 M CA 1.729 56.720 55.300 -0.516 0.000 1.102 332 M CB -0.691 31.665 32.600 -0.407 0.000 1.336 332 M HN 0.185 nan 8.290 nan 0.000 0.404 333 L N -0.448 120.435 121.223 -0.566 0.000 2.093 333 L HA -0.208 4.176 4.340 0.074 0.000 0.208 333 L C 2.614 179.272 176.870 -0.352 0.000 1.085 333 L CA 1.203 55.727 54.840 -0.527 0.000 0.755 333 L CB -0.770 41.094 42.059 -0.324 0.000 0.904 333 L HN 0.324 nan 8.230 nan 0.000 0.435 334 K N 0.558 120.795 120.400 -0.271 0.000 2.057 334 K HA -0.191 4.173 4.320 0.074 0.000 0.207 334 K C 1.899 178.380 176.600 -0.198 0.000 1.049 334 K CA 1.538 57.710 56.287 -0.191 0.000 0.931 334 K CB 0.083 32.492 32.500 -0.153 0.000 0.714 334 K HN 0.395 nan 8.250 nan 0.000 0.440 335 E N -0.074 119.988 120.200 -0.231 0.000 2.107 335 E HA -0.121 4.274 4.350 0.074 0.000 0.191 335 E C 1.992 178.432 176.600 -0.267 0.000 0.982 335 E CA 0.747 57.036 56.400 -0.186 0.000 0.809 335 E CB -0.063 29.568 29.700 -0.115 0.000 0.756 335 E HN 0.357 nan 8.360 nan 0.000 0.459 336 A N 1.923 124.496 122.820 -0.411 0.000 1.883 336 A HA -0.211 4.154 4.320 0.074 0.000 0.217 336 A C 2.453 179.497 177.584 -0.900 0.000 1.186 336 A CA 1.980 53.604 52.037 -0.688 0.000 0.624 336 A CB -0.832 17.738 19.000 -0.717 0.000 0.822 336 A HN 0.299 nan 8.150 nan 0.000 0.444 337 A N -0.248 122.276 122.820 -0.493 0.000 1.883 337 A HA 0.100 4.464 4.320 0.074 0.000 0.217 337 A C 2.542 180.095 177.584 -0.052 0.000 1.186 337 A CA 2.448 54.378 52.037 -0.178 0.000 0.624 337 A CB -1.143 17.837 19.000 -0.033 0.000 0.822 337 A HN 1.189 nan 8.150 nan 0.000 0.444 338 A N -0.552 122.215 122.820 -0.087 0.000 1.933 338 A HA -0.146 4.218 4.320 0.074 0.000 0.218 338 A C 1.973 179.559 177.584 0.003 0.000 1.175 338 A CA 2.183 54.209 52.037 -0.020 0.000 0.628 338 A CB -0.436 18.542 19.000 -0.037 0.000 0.814 338 A HN 0.548 nan 8.150 nan 0.000 0.444 339 E N -0.649 119.509 120.200 -0.070 0.000 2.152 339 E HA -0.102 4.292 4.350 0.074 0.000 0.192 339 E C 1.499 178.199 176.600 0.166 0.000 0.983 339 E CA 1.041 57.441 56.400 -0.001 0.000 0.818 339 E CB -0.401 29.260 29.700 -0.065 0.000 0.758 339 E HN 0.501 nan 8.360 nan 0.000 0.467 340 F N 1.387 121.331 119.950 -0.010 0.000 2.146 340 F HA -0.078 4.499 4.527 0.083 0.000 0.298 340 F C 1.897 177.734 175.800 0.061 0.000 1.096 340 F CA 1.237 59.189 58.000 -0.079 0.000 1.275 340 F CB -1.030 37.788 39.000 -0.304 0.000 1.008 340 F HN 0.102 nan 8.300 nan 0.000 0.480 341 D N -0.378 120.237 120.400 0.358 0.000 2.178 341 D HA -0.135 4.550 4.640 0.074 0.000 0.201 341 D C 2.433 178.842 176.300 0.182 0.000 0.980 341 D CA 0.733 54.909 54.000 0.293 0.000 0.842 341 D CB -0.310 40.615 40.800 0.208 0.000 0.948 341 D HN 0.212 nan 8.370 nan 0.000 0.472 342 R N 0.160 120.746 120.500 0.142 0.000 2.061 342 R HA 0.002 4.386 4.340 0.074 0.000 0.230 342 R C 2.530 178.891 176.300 0.101 0.000 1.140 342 R CA 0.625 56.785 56.100 0.099 0.000 0.940 342 R CB -0.405 29.939 30.300 0.074 0.000 0.839 342 R HN 0.169 nan 8.270 nan 0.000 0.429 343 L N 0.384 121.676 121.223 0.115 0.000 2.046 343 L HA -0.210 4.174 4.340 0.074 0.000 0.208 343 L C 2.448 179.367 176.870 0.082 0.000 1.077 343 L CA 0.843 55.736 54.840 0.089 0.000 0.747 343 L CB -0.332 41.781 42.059 0.089 0.000 0.896 343 L HN 0.229 nan 8.230 nan 0.000 0.432 344 I N -0.077 120.560 120.570 0.112 0.000 2.530 344 I HA -0.286 3.928 4.170 0.074 0.000 0.257 344 I C 2.075 178.259 176.117 0.111 0.000 1.179 344 I CA 1.672 63.048 61.300 0.127 0.000 1.440 344 I CB -0.124 38.019 38.000 0.238 0.000 1.087 344 I HN 0.098 nan 8.210 nan 0.000 0.440 345 K N -0.358 120.102 120.400 0.099 0.000 2.374 345 K HA 0.283 4.647 4.320 0.074 0.000 0.196 345 K C 0.202 176.839 176.600 0.063 0.000 1.023 345 K CA 0.114 56.448 56.287 0.079 0.000 1.103 345 K CB 0.338 32.883 32.500 0.074 0.000 0.848 345 K HN 0.214 nan 8.250 nan 0.000 0.528 346 I N 2.237 122.843 120.570 0.060 0.000 2.256 346 I HA 0.126 4.340 4.170 0.074 0.000 0.294 346 I C -0.780 175.367 176.117 0.050 0.000 1.127 346 I CA -0.530 60.799 61.300 0.047 0.000 1.247 346 I CB 0.046 38.069 38.000 0.039 0.000 1.460 346 I HN 0.079 nan 8.210 nan 0.000 0.511 347 N N 3.499 122.230 118.700 0.053 0.000 3.343 347 N HA 0.080 4.864 4.740 0.074 0.000 0.225 347 N C -0.094 175.454 175.510 0.063 0.000 1.096 347 N CA -0.311 52.777 53.050 0.064 0.000 1.040 347 N CB 1.185 39.714 38.487 0.071 0.000 1.611 347 N HN 0.247 nan 8.380 nan 0.000 0.689 348 D N 1.816 122.257 120.400 0.070 0.000 2.182 348 D HA -0.009 4.676 4.640 0.074 0.000 0.201 348 D C 1.725 178.064 176.300 0.065 0.000 0.986 348 D CA 1.839 55.879 54.000 0.066 0.000 0.847 348 D CB -0.022 40.826 40.800 0.079 0.000 0.942 348 D HN 0.702 nan 8.370 nan 0.000 0.467 349 G N -1.192 107.652 108.800 0.073 0.000 2.776 349 G HA2 0.340 4.344 3.960 0.074 0.000 0.209 349 G HA3 0.340 4.344 3.960 0.074 0.000 0.209 349 G C 0.648 175.579 174.900 0.052 0.000 1.145 349 G CA 0.496 45.632 45.100 0.061 0.000 0.791 349 G HN 0.561 nan 8.290 nan 0.000 0.530 350 G N -1.623 107.209 108.800 0.053 0.000 2.650 350 G HA2 0.425 4.429 3.960 0.074 0.000 0.686 350 G HA3 0.425 4.429 3.960 0.074 0.000 0.686 350 G C 0.025 174.959 174.900 0.057 0.000 1.205 350 G CA -0.454 44.675 45.100 0.049 0.000 0.781 350 G HN 1.305 nan 8.290 nan 0.000 0.648 351 A N 0.602 123.456 122.820 0.057 0.000 2.561 351 A HA 0.544 4.908 4.320 0.074 0.000 0.234 351 A C 0.883 178.514 177.584 0.078 0.000 1.055 351 A CA 0.770 52.848 52.037 0.068 0.000 0.756 351 A CB 0.157 19.197 19.000 0.066 0.000 0.986 351 A HN 1.475 nan 8.150 nan 0.000 0.505 352 L N 1.489 122.769 121.223 0.095 0.000 2.642 352 L HA 0.625 5.009 4.340 0.074 0.000 0.229 352 L C 1.106 178.059 176.870 0.139 0.000 1.179 352 L CA 0.785 55.693 54.840 0.114 0.000 0.834 352 L CB 0.883 43.012 42.059 0.117 0.000 1.515 352 L HN 0.961 nan 8.230 nan 0.000 0.512 353 S N -1.423 114.383 115.700 0.178 0.000 2.651 353 S HA 0.802 5.317 4.470 0.074 0.000 0.279 353 S C -1.365 173.420 174.600 0.310 0.000 1.148 353 S CA -0.660 57.656 58.200 0.193 0.000 0.837 353 S CB 1.837 65.092 63.200 0.092 0.000 1.138 353 S HN 0.592 nan 8.310 nan 0.000 0.478 354 Y N -0.808 119.567 120.300 0.124 0.000 2.581 354 Y HA 0.790 5.385 4.550 0.074 0.000 0.337 354 Y C -1.074 174.894 175.900 0.112 0.000 1.108 354 Y CA -0.874 57.299 58.100 0.122 0.000 1.033 354 Y CB 1.206 39.692 38.460 0.044 0.000 1.318 354 Y HN 0.939 nan 8.280 nan 0.000 0.459 355 E N 1.723 121.986 120.200 0.105 0.000 2.339 355 E HA 0.663 5.057 4.350 0.074 0.000 0.262 355 E C -1.504 175.178 176.600 0.137 0.000 0.934 355 E CA -1.174 55.214 56.400 -0.021 0.000 0.802 355 E CB 2.297 32.007 29.700 0.017 0.000 1.275 355 E HN 0.570 nan 8.360 nan 0.000 0.427 356 S N -0.077 115.677 115.700 0.090 0.000 2.614 356 S HA 0.275 4.789 4.470 0.074 0.000 0.288 356 S C -1.270 173.384 174.600 0.091 0.000 1.137 356 S CA -0.688 57.598 58.200 0.143 0.000 0.992 356 S CB 1.140 64.482 63.200 0.237 0.000 1.026 356 S HN 0.561 nan 8.310 nan 0.000 0.486 357 E N 2.991 123.243 120.200 0.086 0.000 2.187 357 E HA 0.461 4.855 4.350 0.074 0.000 0.268 357 E C -1.012 175.650 176.600 0.103 0.000 0.896 357 E CA -0.577 55.871 56.400 0.080 0.000 0.766 357 E CB 1.359 31.101 29.700 0.070 0.000 1.142 357 E HN 0.474 nan 8.360 nan 0.000 0.408 358 T N 5.439 120.052 114.554 0.098 0.000 2.779 358 T HA 0.159 4.553 4.350 0.074 0.000 0.296 358 T C 1.130 175.905 174.700 0.125 0.000 0.938 358 T CA -0.131 62.038 62.100 0.116 0.000 1.119 358 T CB 0.490 69.406 68.868 0.080 0.000 0.891 358 T HN 0.518 nan 8.240 nan 0.000 0.526 359 L N 2.148 123.481 121.223 0.183 0.000 2.202 359 L HA 0.262 4.646 4.340 0.074 0.000 0.205 359 L C 1.103 178.069 176.870 0.160 0.000 1.083 359 L CA 0.622 55.589 54.840 0.212 0.000 0.790 359 L CB 0.139 42.397 42.059 0.330 0.000 0.942 359 L HN 0.585 nan 8.230 nan 0.000 0.452 360 Q N -0.213 119.658 119.800 0.118 0.000 2.403 360 Q HA 0.386 4.771 4.340 0.074 0.000 0.267 360 Q C -1.940 173.978 176.000 -0.135 0.000 0.991 360 Q CA -0.328 55.431 55.803 -0.072 0.000 0.906 360 Q CB 2.724 31.291 28.738 -0.285 0.000 1.422 360 Q HN -0.156 nan 8.270 nan 0.000 0.400 361 V N 2.414 122.215 119.914 -0.188 0.000 2.409 361 V HA 0.607 4.772 4.120 0.074 0.000 0.291 361 V C -0.653 175.228 176.094 -0.355 0.000 1.020 361 V CA -0.490 61.679 62.300 -0.218 0.000 0.848 361 V CB 1.575 33.324 31.823 -0.123 0.000 0.990 361 V HN 0.668 nan 8.190 nan 0.000 0.430 362 S N 7.342 122.723 115.700 -0.531 0.000 2.664 362 S HA 0.543 5.057 4.470 0.074 0.000 0.262 362 S C -2.481 171.875 174.600 -0.407 0.000 1.229 362 S CA -1.224 56.613 58.200 -0.604 0.000 1.151 362 S CB 1.340 63.830 63.200 -1.184 0.000 1.054 362 S HN 0.598 nan 8.310 nan 0.000 0.483 363 P HA 0.290 nan 4.420 nan 0.000 0.274 363 P C -0.307 176.907 177.300 -0.144 0.000 1.246 363 P CA -0.397 62.603 63.100 -0.166 0.000 0.795 363 P CB 0.497 32.113 31.700 -0.140 0.000 1.006 364 A N 1.381 124.129 122.820 -0.120 0.000 2.531 364 A HA 0.295 4.659 4.320 0.074 0.000 0.236 364 A C 0.026 177.513 177.584 -0.161 0.000 1.062 364 A CA 0.077 52.035 52.037 -0.132 0.000 0.760 364 A CB -0.403 18.509 19.000 -0.146 0.000 0.995 364 A HN 0.365 nan 8.150 nan 0.000 0.501 365 V N 3.295 123.084 119.914 -0.208 0.000 2.540 365 V HA 0.251 4.415 4.120 0.074 0.000 0.302 365 V C -0.116 175.757 176.094 -0.368 0.000 1.035 365 V CA -0.716 61.424 62.300 -0.267 0.000 0.873 365 V CB 1.814 33.462 31.823 -0.292 0.000 0.992 365 V HN 0.987 nan 8.190 nan 0.000 0.428 366 N N 3.409 121.947 118.700 -0.271 0.000 2.438 366 N HA 0.575 5.359 4.740 0.074 0.000 0.282 366 N C -0.860 174.549 175.510 -0.169 0.000 1.037 366 N CA -0.505 52.401 53.050 -0.240 0.000 0.942 366 N CB 1.037 39.446 38.487 -0.130 0.000 1.136 366 N HN 0.428 nan 8.380 nan 0.000 0.481 367 F N 0.860 120.801 119.950 -0.016 0.000 2.399 367 F HA 0.135 4.706 4.527 0.073 0.000 0.313 367 F C 1.335 177.134 175.800 -0.001 0.000 1.202 367 F CA -0.320 57.678 58.000 -0.003 0.000 1.192 367 F CB 0.335 39.329 39.000 -0.010 0.000 1.256 367 F HN 0.369 nan 8.300 nan 0.000 0.558 368 H N 2.195 121.378 119.070 0.189 0.000 2.646 368 H HA 0.062 4.662 4.556 0.074 0.000 0.325 368 H C 0.849 176.210 175.328 0.055 0.000 1.075 368 H CA -0.030 56.062 56.048 0.073 0.000 1.421 368 H CB 1.119 30.893 29.762 0.021 0.000 1.461 368 H HN 0.599 nan 8.280 nan 0.000 0.525 369 E N 3.627 123.748 120.200 -0.132 0.000 2.209 369 E HA -0.123 4.271 4.350 0.074 0.000 0.196 369 E C 2.173 178.846 176.600 0.121 0.000 0.993 369 E CA 0.586 56.984 56.400 -0.003 0.000 0.819 369 E CB 0.192 29.849 29.700 -0.071 0.000 0.745 369 E HN 0.467 nan 8.360 nan 0.000 0.477 370 V N 0.765 120.870 119.914 0.318 0.000 2.255 370 V HA -0.309 3.856 4.120 0.074 0.000 0.247 370 V C 2.540 178.736 176.094 0.168 0.000 1.051 370 V CA 1.786 64.219 62.300 0.222 0.000 1.018 370 V CB -0.559 31.411 31.823 0.245 0.000 0.641 370 V HN 0.345 nan 8.190 nan 0.000 0.445 371 C N -0.486 118.892 119.300 0.129 0.000 2.457 371 C HA -0.006 4.498 4.460 0.074 0.000 0.278 371 C C 2.557 177.638 174.990 0.153 0.000 1.309 371 C CA 0.495 59.552 59.018 0.065 0.000 1.735 371 C CB -0.895 26.674 27.740 -0.286 0.000 1.992 371 C HN 0.529 nan 8.230 nan 0.000 0.493 372 I N 0.549 121.185 120.570 0.110 0.000 2.315 372 I HA -0.157 4.057 4.170 0.074 0.000 0.248 372 I C 2.670 178.855 176.117 0.113 0.000 1.117 372 I CA 1.212 62.573 61.300 0.102 0.000 1.404 372 I CB -0.541 37.518 38.000 0.098 0.000 1.071 372 I HN 0.300 nan 8.210 nan 0.000 0.419 373 E N 0.572 120.840 120.200 0.114 0.000 2.058 373 E HA -0.221 4.174 4.350 0.074 0.000 0.194 373 E C 2.407 179.080 176.600 0.121 0.000 0.997 373 E CA 1.475 57.940 56.400 0.108 0.000 0.801 373 E CB -0.432 29.311 29.700 0.072 0.000 0.746 373 E HN 0.505 nan 8.360 nan 0.000 0.450 374 C N 0.091 119.483 119.300 0.153 0.000 2.413 374 C HA -0.100 4.404 4.460 0.074 0.000 0.276 374 C C 2.873 177.917 174.990 0.090 0.000 1.248 374 C CA 0.599 59.711 59.018 0.156 0.000 1.742 374 C CB -0.955 26.957 27.740 0.287 0.000 2.017 374 C HN 0.206 nan 8.230 nan 0.000 0.481 375 V N 0.101 120.081 119.914 0.110 0.000 2.358 375 V HA -0.187 3.977 4.120 0.074 0.000 0.246 375 V C 2.555 178.646 176.094 -0.005 0.000 1.047 375 V CA 2.226 64.544 62.300 0.030 0.000 1.035 375 V CB -0.824 31.028 31.823 0.049 0.000 0.658 375 V HN 0.547 nan 8.190 nan 0.000 0.452 376 S N -0.534 115.192 115.700 0.045 0.000 2.353 376 S HA -0.220 4.294 4.470 0.074 0.000 0.222 376 S C 2.155 176.849 174.600 0.157 0.000 1.035 376 S CA 1.742 59.987 58.200 0.074 0.000 1.025 376 S CB -0.261 63.078 63.200 0.231 0.000 0.902 376 S HN 0.517 nan 8.310 nan 0.000 0.440 377 R N 0.422 121.024 120.500 0.170 0.000 2.096 377 R HA -0.044 4.341 4.340 0.074 0.000 0.235 377 R C 2.717 179.084 176.300 0.112 0.000 1.127 377 R CA 1.415 57.618 56.100 0.172 0.000 0.968 377 R CB -0.545 29.829 30.300 0.122 0.000 0.861 377 R HN 0.322 nan 8.270 nan 0.000 0.440 378 S N 0.341 116.069 115.700 0.046 0.000 2.356 378 S HA -0.135 4.379 4.470 0.074 0.000 0.223 378 S C 2.035 176.651 174.600 0.027 0.000 1.032 378 S CA 1.274 59.480 58.200 0.009 0.000 1.005 378 S CB -0.105 63.067 63.200 -0.046 0.000 0.867 378 S HN 0.443 nan 8.310 nan 0.000 0.449 379 A N 0.214 123.012 122.820 -0.037 0.000 1.898 379 A HA 0.115 4.479 4.320 0.074 0.000 0.216 379 A C 1.908 179.483 177.584 -0.015 0.000 1.181 379 A CA 1.263 53.259 52.037 -0.069 0.000 0.620 379 A CB -1.002 17.794 19.000 -0.339 0.000 0.819 379 A HN 0.641 nan 8.150 nan 0.000 0.442 380 F N -0.028 119.991 119.950 0.114 0.000 2.325 380 F HA -0.004 4.567 4.527 0.074 0.000 0.299 380 F C 2.649 178.487 175.800 0.064 0.000 1.090 380 F CA 0.573 58.629 58.000 0.093 0.000 1.392 380 F CB -0.002 39.035 39.000 0.061 0.000 1.053 380 F HN 0.271 nan 8.300 nan 0.000 0.521 381 A N -0.544 122.394 122.820 0.197 0.000 2.066 381 A HA -0.141 4.223 4.320 0.074 0.000 0.218 381 A C 1.925 179.516 177.584 0.012 0.000 1.157 381 A CA 1.298 53.390 52.037 0.093 0.000 0.670 381 A CB -0.318 18.718 19.000 0.059 0.000 0.804 381 A HN 0.466 nan 8.150 nan 0.000 0.453 382 Q N -2.579 117.213 119.800 -0.013 0.000 2.280 382 Q HA 0.333 4.717 4.340 0.074 0.000 0.244 382 Q C -0.973 174.659 176.000 -0.614 0.000 0.847 382 Q CA -0.052 55.583 55.803 -0.280 0.000 0.945 382 Q CB 0.856 29.419 28.738 -0.293 0.000 1.115 382 Q HN 0.584 nan 8.270 nan 0.000 0.513 383 F N 0.304 120.259 119.950 0.009 0.000 2.588 383 F HA 0.402 4.974 4.527 0.074 0.000 0.314 383 F C -0.117 175.727 175.800 0.073 0.000 1.069 383 F CA -1.297 56.712 58.000 0.014 0.000 0.931 383 F CB 1.363 40.343 39.000 -0.033 0.000 1.260 383 F HN -0.398 nan 8.300 nan 0.000 0.465 384 K N 0.896 121.445 120.400 0.249 0.000 2.319 384 K HA 0.103 4.467 4.320 0.074 0.000 0.265 384 K C 1.006 177.761 176.600 0.257 0.000 1.000 384 K CA -0.055 56.354 56.287 0.202 0.000 0.943 384 K CB 0.576 33.158 32.500 0.136 0.000 0.950 384 K HN 0.520 nan 8.250 nan 0.000 0.485 385 K N 1.340 121.898 120.400 0.263 0.000 2.089 385 K HA -0.203 4.162 4.320 0.074 0.000 0.210 385 K C 0.771 177.513 176.600 0.237 0.000 1.048 385 K CA 2.102 58.587 56.287 0.330 0.000 0.926 385 K CB 0.023 32.620 32.500 0.162 0.000 0.714 385 K HN 0.719 nan 8.250 nan 0.000 0.448 386 D N -0.354 120.133 120.400 0.146 0.000 2.352 386 D HA -0.112 4.572 4.640 0.074 0.000 0.232 386 D C 1.015 177.360 176.300 0.074 0.000 1.055 386 D CA 0.540 54.598 54.000 0.097 0.000 0.891 386 D CB 0.150 40.992 40.800 0.070 0.000 0.897 386 D HN 0.237 nan 8.370 nan 0.000 0.529 387 Q N 0.082 119.934 119.800 0.086 0.000 2.281 387 Q HA 0.177 4.562 4.340 0.074 0.000 0.215 387 Q C -0.005 175.960 176.000 -0.057 0.000 0.867 387 Q CA 0.151 55.973 55.803 0.031 0.000 0.940 387 Q CB 2.057 30.855 28.738 0.100 0.000 1.111 387 Q HN 0.179 nan 8.270 nan 0.000 0.513 388 V N 0.945 120.843 119.914 -0.027 0.000 2.555 388 V HA 0.512 4.676 4.120 0.074 0.000 0.302 388 V C -0.231 175.841 176.094 -0.036 0.000 1.038 388 V CA -0.782 61.442 62.300 -0.127 0.000 0.887 388 V CB 2.524 34.154 31.823 -0.323 0.000 0.991 388 V HN 0.020 nan 8.190 nan 0.000 0.434 389 R N 2.054 122.518 120.500 -0.061 0.000 2.673 389 R HA 0.437 4.821 4.340 0.074 0.000 0.281 389 R C -0.969 175.325 176.300 -0.010 0.000 0.991 389 R CA -0.698 55.398 56.100 -0.006 0.000 0.896 389 R CB 2.295 32.589 30.300 -0.012 0.000 1.201 389 R HN 0.800 nan 8.270 nan 0.000 0.457 390 Q N 2.790 122.608 119.800 0.031 0.000 2.314 390 Q HA 0.366 4.750 4.340 0.074 0.000 0.258 390 Q C -0.493 175.519 176.000 0.020 0.000 0.954 390 Q CA 0.248 56.073 55.803 0.035 0.000 0.890 390 Q CB 1.504 30.287 28.738 0.075 0.000 1.210 390 Q HN 0.460 nan 8.270 nan 0.000 0.410 391 I N 2.103 122.679 120.570 0.010 0.000 2.918 391 I HA 0.413 4.627 4.170 0.074 0.000 0.301 391 I C -1.595 174.538 176.117 0.028 0.000 1.312 391 I CA -0.829 60.446 61.300 -0.042 0.000 1.007 391 I CB 1.638 39.617 38.000 -0.035 0.000 1.281 391 I HN 0.735 nan 8.210 nan 0.000 0.440 392 W N 4.294 125.614 121.300 0.034 0.000 2.570 392 W HA 0.629 5.332 4.660 0.072 0.000 0.337 392 W C -0.823 175.757 176.519 0.103 0.000 1.067 392 W CA -1.039 56.317 57.345 0.018 0.000 1.229 392 W CB 1.043 30.495 29.460 -0.014 0.000 1.355 392 W HN 0.478 nan 8.180 nan 0.000 0.555 393 S N 0.841 116.803 115.700 0.438 0.000 2.523 393 S HA 0.369 4.884 4.470 0.074 0.000 0.275 393 S C 1.112 176.007 174.600 0.491 0.000 1.281 393 S CA 0.291 58.780 58.200 0.483 0.000 1.050 393 S CB 0.933 64.472 63.200 0.565 0.000 0.937 393 S HN 0.688 nan 8.310 nan 0.000 0.492 394 G N 3.209 112.191 108.800 0.303 0.000 2.511 394 G HA2 0.352 4.356 3.960 0.074 0.000 0.217 394 G HA3 0.352 4.356 3.960 0.074 0.000 0.217 394 G C 0.436 175.373 174.900 0.063 0.000 1.133 394 G CA 0.437 45.688 45.100 0.251 0.000 0.792 394 G HN 0.977 nan 8.290 nan 0.000 0.539 395 A N -0.083 122.732 122.820 -0.009 0.000 2.295 395 A HA 0.721 5.085 4.320 0.074 0.000 0.318 395 A C 0.660 177.970 177.584 -0.457 0.000 1.134 395 A CA 0.084 51.954 52.037 -0.278 0.000 0.827 395 A CB 0.887 19.698 19.000 -0.315 0.000 1.136 395 A HN 0.479 nan 8.150 nan 0.000 0.493 396 G N 0.770 109.241 108.800 -0.549 0.000 2.432 396 G HA2 0.525 4.529 3.960 0.074 0.000 0.257 396 G HA3 0.525 4.529 3.960 0.074 0.000 0.257 396 G C -0.323 174.236 174.900 -0.569 0.000 1.238 396 G CA -0.137 44.758 45.100 -0.340 0.000 0.838 396 G HN 0.754 nan 8.290 nan 0.000 0.547 397 H N 0.319 119.425 119.070 0.060 0.000 2.949 397 H HA 0.233 4.834 4.556 0.075 0.000 0.356 397 H C 0.159 175.478 175.328 -0.015 0.000 1.212 397 H CA -0.779 55.295 56.048 0.043 0.000 1.136 397 H CB 2.177 31.998 29.762 0.099 0.000 1.869 397 H HN 0.469 nan 8.280 nan 0.000 0.556 398 D N 0.259 120.694 120.400 0.058 0.000 2.263 398 D HA -0.096 4.588 4.640 0.074 0.000 0.208 398 D C 1.445 177.568 176.300 -0.294 0.000 0.971 398 D CA 0.907 54.728 54.000 -0.298 0.000 0.867 398 D CB 0.170 40.579 40.800 -0.651 0.000 0.929 398 D HN 0.274 nan 8.370 nan 0.000 0.492 399 S N 0.143 115.851 115.700 0.015 0.000 2.419 399 S HA -0.141 4.373 4.470 0.074 0.000 0.235 399 S C 2.189 176.909 174.600 0.199 0.000 1.019 399 S CA 0.467 58.725 58.200 0.097 0.000 0.982 399 S CB -0.157 63.146 63.200 0.172 0.000 0.789 399 S HN 0.413 nan 8.310 nan 0.000 0.490 400 C N 1.307 120.711 119.300 0.173 0.000 2.422 400 C HA -0.038 4.466 4.460 0.074 0.000 0.279 400 C C 2.654 177.641 174.990 -0.005 0.000 1.305 400 C CA 0.390 59.462 59.018 0.091 0.000 1.757 400 C CB -1.029 26.737 27.740 0.043 0.000 1.962 400 C HN 0.555 nan 8.230 nan 0.000 0.499 401 Q N 0.243 119.997 119.800 -0.077 0.000 2.339 401 Q HA -0.039 4.345 4.340 0.074 0.000 0.205 401 Q C 2.332 178.351 176.000 0.032 0.000 0.925 401 Q CA 1.771 57.535 55.803 -0.066 0.000 0.898 401 Q CB -0.745 27.915 28.738 -0.129 0.000 1.013 401 Q HN 0.871 nan 8.270 nan 0.000 0.504 402 T N -1.972 112.552 114.554 -0.050 0.000 3.014 402 T HA 0.161 4.555 4.350 0.074 0.000 0.263 402 T C 1.969 176.740 174.700 0.119 0.000 1.078 402 T CA 0.802 62.964 62.100 0.104 0.000 1.135 402 T CB -0.038 68.705 68.868 -0.209 0.000 0.895 402 T HN 0.142 nan 8.240 nan 0.000 0.480 403 A N 3.058 125.921 122.820 0.072 0.000 1.908 403 A HA 0.076 4.440 4.320 0.074 0.000 0.218 403 A C 0.428 178.003 177.584 -0.014 0.000 1.181 403 A CA 1.217 53.311 52.037 0.094 0.000 0.627 403 A CB -1.671 17.454 19.000 0.208 0.000 0.818 403 A HN 0.508 nan 8.150 nan 0.000 0.445 404 P HA -0.111 nan 4.420 nan 0.000 0.222 404 P C 0.840 177.846 177.300 -0.491 0.000 1.147 404 P CA 1.267 64.146 63.100 -0.368 0.000 0.790 404 P CB -0.090 31.262 31.700 -0.580 0.000 0.780 405 H N -2.052 116.947 119.070 -0.119 0.000 2.545 405 H HA 0.226 4.826 4.556 0.073 0.000 0.283 405 H C 0.843 176.160 175.328 -0.017 0.000 0.997 405 H CA 0.532 56.478 56.048 -0.169 0.000 1.269 405 H CB 0.512 30.006 29.762 -0.448 0.000 1.451 405 H HN -0.014 nan 8.280 nan 0.000 0.508 406 V N -0.526 119.476 119.914 0.147 0.000 2.876 406 V HA 0.447 4.611 4.120 0.074 0.000 0.312 406 V C -2.803 173.275 176.094 -0.028 0.000 1.085 406 V CA -2.821 59.534 62.300 0.091 0.000 0.945 406 V CB 2.629 34.565 31.823 0.188 0.000 1.017 406 V HN -0.160 nan 8.190 nan 0.000 0.428 407 P HA 0.169 nan 4.420 nan 0.000 0.260 407 P C -0.146 176.990 177.300 -0.274 0.000 1.185 407 P CA 0.933 63.831 63.100 -0.338 0.000 0.763 407 P CB 0.276 31.689 31.700 -0.478 0.000 0.776 408 T N 0.649 115.101 114.554 -0.169 0.000 2.900 408 T HA 0.641 5.035 4.350 0.074 0.000 0.303 408 T C -1.105 173.314 174.700 -0.469 0.000 1.142 408 T CA -0.535 61.373 62.100 -0.320 0.000 1.007 408 T CB 1.747 70.545 68.868 -0.116 0.000 1.156 408 T HN 0.300 nan 8.240 nan 0.000 0.490 409 S N 2.009 117.275 115.700 -0.724 0.000 2.615 409 S HA 0.788 5.302 4.470 0.074 0.000 0.269 409 S C -1.715 172.477 174.600 -0.679 0.000 1.161 409 S CA -0.818 56.875 58.200 -0.845 0.000 0.817 409 S CB 1.441 64.445 63.200 -0.326 0.000 1.131 409 S HN 0.875 nan 8.310 nan 0.000 0.467 410 M N 2.053 121.306 119.600 -0.579 0.000 2.572 410 M HA 0.582 5.107 4.480 0.074 0.000 0.299 410 M C -1.443 174.718 176.300 -0.233 0.000 1.205 410 M CA -0.593 54.496 55.300 -0.351 0.000 0.876 410 M CB 2.064 34.417 32.600 -0.412 0.000 1.728 410 M HN 0.515 nan 8.290 nan 0.000 0.458 411 I N 1.192 121.686 120.570 -0.126 0.000 2.433 411 I HA 0.484 4.698 4.170 0.074 0.000 0.292 411 I C -1.169 175.013 176.117 0.108 0.000 1.001 411 I CA -0.235 61.026 61.300 -0.065 0.000 1.119 411 I CB 1.468 39.448 38.000 -0.032 0.000 1.289 411 I HN 0.524 nan 8.210 nan 0.000 0.438 412 F N 5.870 125.787 119.950 -0.055 0.000 2.458 412 F HA 0.654 5.225 4.527 0.074 0.000 0.330 412 F C 0.194 175.940 175.800 -0.091 0.000 1.082 412 F CA -1.124 56.848 58.000 -0.047 0.000 0.995 412 F CB 2.011 40.988 39.000 -0.039 0.000 1.170 412 F HN 0.327 nan 8.300 nan 0.000 0.478 413 I N 0.493 121.106 120.570 0.072 0.000 2.846 413 I HA 0.613 4.827 4.170 0.074 0.000 0.307 413 I C -2.942 173.103 176.117 -0.120 0.000 1.053 413 I CA -3.058 58.205 61.300 -0.062 0.000 1.050 413 I CB 1.758 39.697 38.000 -0.102 0.000 1.239 413 I HN 0.186 nan 8.210 nan 0.000 0.439 414 P HA 0.137 nan 4.420 nan 0.000 0.269 414 P C -0.935 176.266 177.300 -0.165 0.000 1.209 414 P CA -0.016 63.003 63.100 -0.135 0.000 0.776 414 P CB 0.685 32.320 31.700 -0.109 0.000 0.876 415 S N 1.882 117.495 115.700 -0.146 0.000 2.454 415 S HA 0.230 4.745 4.470 0.074 0.000 0.306 415 S C -0.180 174.383 174.600 -0.061 0.000 1.100 415 S CA -0.824 57.303 58.200 -0.122 0.000 1.087 415 S CB 0.673 63.803 63.200 -0.116 0.000 1.019 415 S HN 0.309 nan 8.310 nan 0.000 0.480 416 K N 2.537 122.934 120.400 -0.006 0.000 2.453 416 K HA -0.057 4.307 4.320 0.074 0.000 0.280 416 K C -0.326 176.284 176.600 0.018 0.000 1.045 416 K CA 0.575 56.892 56.287 0.049 0.000 1.059 416 K CB 0.011 32.616 32.500 0.175 0.000 0.901 416 K HN 0.685 nan 8.250 nan 0.000 0.475 417 D N 3.093 123.488 120.400 -0.008 0.000 3.039 417 D HA -0.208 4.476 4.640 0.074 0.000 0.222 417 D C 0.644 176.922 176.300 -0.037 0.000 1.179 417 D CA 1.319 55.304 54.000 -0.026 0.000 0.880 417 D CB -1.370 39.411 40.800 -0.031 0.000 1.115 417 D HN 1.025 nan 8.370 nan 0.000 0.416 418 G N -0.296 108.477 108.800 -0.046 0.000 2.203 418 G HA2 -0.300 3.704 3.960 0.074 0.000 0.263 418 G HA3 -0.300 3.704 3.960 0.074 0.000 0.263 418 G C 0.072 174.939 174.900 -0.056 0.000 1.012 418 G CA 0.509 45.570 45.100 -0.065 0.000 0.749 418 G HN 0.476 nan 8.290 nan 0.000 0.512 419 L N 1.081 122.288 121.223 -0.026 0.000 2.290 419 L HA 0.820 5.204 4.340 0.074 0.000 0.284 419 L C 0.280 177.162 176.870 0.019 0.000 1.078 419 L CA 0.221 55.060 54.840 -0.002 0.000 0.815 419 L CB 1.512 43.587 42.059 0.026 0.000 1.162 419 L HN 0.297 nan 8.230 nan 0.000 0.435 420 S N 3.038 118.745 115.700 0.012 0.000 2.671 420 S HA 0.481 4.995 4.470 0.074 0.000 0.277 420 S C -0.664 174.008 174.600 0.121 0.000 1.165 420 S CA -0.459 57.777 58.200 0.061 0.000 0.822 420 S CB 0.564 63.768 63.200 0.007 0.000 1.150 420 S HN 0.828 nan 8.310 nan 0.000 0.479 421 H N 0.524 119.613 119.070 0.032 0.000 2.756 421 H HA -0.137 4.462 4.556 0.072 0.000 0.315 421 H C -0.380 174.921 175.328 -0.045 0.000 1.210 421 H CA 0.875 56.922 56.048 -0.003 0.000 1.150 421 H CB -1.146 28.604 29.762 -0.020 0.000 1.463 421 H HN 0.473 nan 8.280 nan 0.000 0.427 422 N N -0.602 118.143 118.700 0.075 0.000 2.710 422 N HA -0.007 4.777 4.740 0.074 0.000 0.257 422 N C 0.468 176.018 175.510 0.067 0.000 1.140 422 N CA -0.521 52.529 53.050 -0.001 0.000 0.953 422 N CB 0.858 39.379 38.487 0.056 0.000 1.664 422 N HN 0.102 nan 8.380 nan 0.000 0.497 423 Y N 1.079 121.394 120.300 0.025 0.000 2.193 423 Y HA -0.225 4.372 4.550 0.078 0.000 0.285 423 Y C 0.965 176.801 175.900 -0.107 0.000 1.166 423 Y CA 1.351 59.415 58.100 -0.060 0.000 1.181 423 Y CB -0.002 38.333 38.460 -0.208 0.000 0.976 423 Y HN 0.564 nan 8.280 nan 0.000 0.520 424 Y N 0.539 120.879 120.300 0.066 0.000 2.471 424 Y HA 0.007 4.600 4.550 0.071 0.000 0.286 424 Y C 0.902 176.883 175.900 0.135 0.000 1.188 424 Y CA -0.297 57.766 58.100 -0.062 0.000 1.286 424 Y CB -0.420 37.870 38.460 -0.283 0.000 1.072 424 Y HN 0.060 nan 8.280 nan 0.000 0.517 425 E N 0.983 121.358 120.200 0.291 0.000 2.608 425 E HA -0.138 4.256 4.350 0.074 0.000 0.259 425 E C -1.345 175.513 176.600 0.431 0.000 0.951 425 E CA 0.339 56.911 56.400 0.287 0.000 0.945 425 E CB 0.249 30.102 29.700 0.256 0.000 0.916 425 E HN 0.346 nan 8.360 nan 0.000 0.477 426 Y N 2.475 122.834 120.300 0.099 0.000 2.441 426 Y HA 0.316 4.909 4.550 0.073 0.000 0.334 426 Y C -1.452 174.260 175.900 -0.313 0.000 1.061 426 Y CA -0.556 57.518 58.100 -0.044 0.000 1.032 426 Y CB 1.924 40.440 38.460 0.092 0.000 1.266 426 Y HN 0.439 nan 8.280 nan 0.000 0.441 427 S N 3.086 117.996 115.700 -1.317 0.000 2.538 427 S HA 0.503 5.018 4.470 0.074 0.000 0.288 427 S C -0.884 172.894 174.600 -1.370 0.000 1.108 427 S CA -0.869 56.685 58.200 -1.077 0.000 0.971 427 S CB 1.470 64.182 63.200 -0.813 0.000 1.041 427 S HN 0.777 nan 8.310 nan 0.000 0.483 428 S N 2.478 117.687 115.700 -0.818 0.000 2.593 428 S HA 0.283 4.797 4.470 0.074 0.000 0.269 428 S C -1.995 172.408 174.600 -0.329 0.000 1.334 428 S CA -0.794 57.107 58.200 -0.498 0.000 1.015 428 S CB 0.197 63.326 63.200 -0.120 0.000 0.912 428 S HN 0.356 nan 8.310 nan 0.000 0.541 429 P HA -0.148 nan 4.420 nan 0.000 0.216 429 P C 1.425 178.689 177.300 -0.061 0.000 1.150 429 P CA 1.583 64.627 63.100 -0.093 0.000 0.843 429 P CB 0.012 31.689 31.700 -0.038 0.000 0.787 430 E N 0.323 120.496 120.200 -0.046 0.000 2.051 430 E HA -0.230 4.165 4.350 0.074 0.000 0.192 430 E C 1.787 178.379 176.600 -0.015 0.000 0.991 430 E CA 1.288 57.683 56.400 -0.008 0.000 0.799 430 E CB -0.366 29.339 29.700 0.008 0.000 0.748 430 E HN 0.219 nan 8.360 nan 0.000 0.449 431 E N 0.343 120.499 120.200 -0.073 0.000 2.110 431 E HA -0.171 4.224 4.350 0.074 0.000 0.193 431 E C 2.148 178.694 176.600 -0.090 0.000 0.988 431 E CA 1.299 57.640 56.400 -0.098 0.000 0.804 431 E CB -0.087 29.515 29.700 -0.164 0.000 0.745 431 E HN 0.393 nan 8.360 nan 0.000 0.458 432 I N 0.668 121.171 120.570 -0.111 0.000 2.252 432 I HA -0.243 3.972 4.170 0.074 0.000 0.245 432 I C 2.441 178.574 176.117 0.026 0.000 1.102 432 I CA 1.027 62.286 61.300 -0.069 0.000 1.385 432 I CB -0.010 37.936 38.000 -0.089 0.000 1.064 432 I HN 0.056 nan 8.210 nan 0.000 0.414 433 E N 1.174 121.400 120.200 0.043 0.000 2.077 433 E HA -0.220 4.174 4.350 0.074 0.000 0.193 433 E C 1.889 178.599 176.600 0.184 0.000 0.989 433 E CA 1.421 57.896 56.400 0.125 0.000 0.800 433 E CB -0.036 29.720 29.700 0.093 0.000 0.746 433 E HN 0.333 nan 8.360 nan 0.000 0.452 434 N N -0.216 118.574 118.700 0.150 0.000 2.061 434 N HA -0.140 4.645 4.740 0.074 0.000 0.193 434 N C 1.782 177.364 175.510 0.120 0.000 1.030 434 N CA 1.517 54.704 53.050 0.228 0.000 0.856 434 N CB -0.984 37.570 38.487 0.112 0.000 1.023 434 N HN 0.327 nan 8.380 nan 0.000 0.424 435 G N -0.066 108.758 108.800 0.039 0.000 2.422 435 G HA2 -0.243 3.761 3.960 0.074 0.000 0.218 435 G HA3 -0.243 3.761 3.960 0.074 0.000 0.218 435 G C 1.419 176.357 174.900 0.062 0.000 1.146 435 G CA 0.414 45.523 45.100 0.015 0.000 0.769 435 G HN 0.319 nan 8.290 nan 0.000 0.547 436 F N 1.606 121.544 119.950 -0.021 0.000 2.102 436 F HA 0.045 4.616 4.527 0.073 0.000 0.298 436 F C 2.591 178.375 175.800 -0.028 0.000 1.105 436 F CA 1.715 59.695 58.000 -0.033 0.000 1.239 436 F CB -0.244 38.735 39.000 -0.034 0.000 0.991 436 F HN 0.050 nan 8.300 nan 0.000 0.474 437 K N -0.055 120.238 120.400 -0.178 0.000 2.063 437 K HA -0.138 4.227 4.320 0.074 0.000 0.208 437 K C 2.027 178.503 176.600 -0.206 0.000 1.048 437 K CA 1.663 57.794 56.287 -0.260 0.000 0.928 437 K CB -0.511 31.976 32.500 -0.022 0.000 0.713 437 K HN 0.210 nan 8.250 nan 0.000 0.442 438 V N 1.189 121.061 119.914 -0.070 0.000 2.358 438 V HA -0.221 3.944 4.120 0.074 0.000 0.246 438 V C 2.090 178.084 176.094 -0.167 0.000 1.047 438 V CA 1.412 63.672 62.300 -0.067 0.000 1.035 438 V CB -0.357 31.443 31.823 -0.039 0.000 0.658 438 V HN 0.266 nan 8.190 nan 0.000 0.452 439 L N -0.154 120.950 121.223 -0.200 0.000 2.017 439 L HA -0.147 4.237 4.340 0.074 0.000 0.208 439 L C 2.238 178.907 176.870 -0.335 0.000 1.073 439 L CA 1.978 56.675 54.840 -0.238 0.000 0.745 439 L CB -0.698 41.273 42.059 -0.147 0.000 0.894 439 L HN 0.299 nan 8.230 nan 0.000 0.432 440 L N -0.505 120.436 121.223 -0.470 0.000 1.990 440 L HA -0.263 4.121 4.340 0.074 0.000 0.213 440 L C 2.533 179.236 176.870 -0.278 0.000 1.072 440 L CA 2.253 56.809 54.840 -0.473 0.000 0.755 440 L CB -0.827 40.776 42.059 -0.761 0.000 0.889 440 L HN 0.483 nan 8.230 nan 0.000 0.432 441 Q N -0.627 119.025 119.800 -0.246 0.000 2.230 441 Q HA -0.003 4.381 4.340 0.074 0.000 0.202 441 Q C 2.076 177.989 176.000 -0.144 0.000 0.963 441 Q CA 1.525 57.237 55.803 -0.152 0.000 0.866 441 Q CB -0.308 28.363 28.738 -0.112 0.000 0.931 441 Q HN 0.627 nan 8.270 nan 0.000 0.452 442 A N 0.186 122.869 122.820 -0.229 0.000 1.877 442 A HA -0.153 4.211 4.320 0.074 0.000 0.216 442 A C 2.080 179.387 177.584 -0.462 0.000 1.186 442 A CA 1.467 53.304 52.037 -0.333 0.000 0.620 442 A CB -0.705 18.015 19.000 -0.467 0.000 0.822 442 A HN 0.451 nan 8.150 nan 0.000 0.443 443 I N -0.466 119.821 120.570 -0.472 0.000 2.179 443 I HA -0.261 3.954 4.170 0.074 0.000 0.242 443 I C 2.317 178.454 176.117 0.034 0.000 1.088 443 I CA 1.345 62.474 61.300 -0.284 0.000 1.357 443 I CB -0.279 37.632 38.000 -0.149 0.000 1.051 443 I HN 0.309 nan 8.210 nan 0.000 0.409 444 I N 0.683 121.276 120.570 0.037 0.000 2.179 444 I HA -0.335 3.879 4.170 0.074 0.000 0.242 444 I C 2.126 178.312 176.117 0.116 0.000 1.088 444 I CA 1.802 63.163 61.300 0.102 0.000 1.357 444 I CB -0.589 37.427 38.000 0.027 0.000 1.051 444 I HN 0.294 nan 8.210 nan 0.000 0.409 445 N N -0.269 118.477 118.700 0.076 0.000 2.069 445 N HA -0.281 4.503 4.740 0.074 0.000 0.191 445 N C 1.999 177.632 175.510 0.205 0.000 1.031 445 N CA 1.451 54.571 53.050 0.118 0.000 0.852 445 N CB -0.246 38.294 38.487 0.088 0.000 1.018 445 N HN 0.294 nan 8.380 nan 0.000 0.423 446 Y N 1.765 122.142 120.300 0.129 0.000 2.145 446 Y HA -0.217 4.378 4.550 0.074 0.000 0.286 446 Y C 2.104 178.171 175.900 0.277 0.000 1.145 446 Y CA 1.689 59.946 58.100 0.262 0.000 1.148 446 Y CB -0.403 38.278 38.460 0.369 0.000 0.981 446 Y HN 0.044 nan 8.280 nan 0.000 0.507 447 D N -0.777 119.775 120.400 0.254 0.000 2.144 447 D HA -0.194 4.490 4.640 0.074 0.000 0.199 447 D C 1.637 178.015 176.300 0.129 0.000 0.984 447 D CA 1.835 55.954 54.000 0.198 0.000 0.834 447 D CB -0.298 40.670 40.800 0.280 0.000 0.955 447 D HN 0.536 nan 8.370 nan 0.000 0.465 448 N N -1.500 117.280 118.700 0.134 0.000 2.188 448 N HA -0.178 4.606 4.740 0.074 0.000 0.184 448 N C 1.499 177.057 175.510 0.079 0.000 1.018 448 N CA 0.710 53.828 53.050 0.112 0.000 0.858 448 N CB -0.190 38.370 38.487 0.123 0.000 0.989 448 N HN 0.297 nan 8.380 nan 0.000 0.426 449 Y N 2.114 122.381 120.300 -0.054 0.000 2.224 449 Y HA -0.078 4.517 4.550 0.074 0.000 0.289 449 Y C 2.181 177.978 175.900 -0.172 0.000 1.146 449 Y CA 1.240 59.281 58.100 -0.099 0.000 1.182 449 Y CB 0.024 38.416 38.460 -0.114 0.000 0.983 449 Y HN -0.100 nan 8.280 nan 0.000 0.524 450 R N -0.326 119.886 120.500 -0.479 0.000 2.105 450 R HA -0.160 4.224 4.340 0.074 0.000 0.239 450 R C 2.116 178.203 176.300 -0.356 0.000 1.135 450 R CA 1.609 57.354 56.100 -0.592 0.000 0.967 450 R CB -0.592 29.324 30.300 -0.640 0.000 0.861 450 R HN 0.303 nan 8.270 nan 0.000 0.442 451 V N 1.401 121.261 119.914 -0.089 0.000 2.261 451 V HA -0.261 3.904 4.120 0.074 0.000 0.246 451 V C 2.272 178.217 176.094 -0.249 0.000 1.047 451 V CA 1.846 64.107 62.300 -0.065 0.000 1.015 451 V CB -0.404 31.421 31.823 0.004 0.000 0.642 451 V HN 0.282 nan 8.190 nan 0.000 0.446 452 I N -0.336 120.145 120.570 -0.150 0.000 2.252 452 I HA -0.239 3.975 4.170 0.074 0.000 0.245 452 I C 2.761 178.762 176.117 -0.193 0.000 1.102 452 I CA 1.737 62.995 61.300 -0.071 0.000 1.385 452 I CB -0.510 37.473 38.000 -0.029 0.000 1.064 452 I HN 0.241 nan 8.210 nan 0.000 0.414 453 R N 1.346 121.617 120.500 -0.382 0.000 2.091 453 R HA -0.160 4.224 4.340 0.074 0.000 0.238 453 R C 2.305 178.498 176.300 -0.177 0.000 1.136 453 R CA 1.810 57.713 56.100 -0.328 0.000 0.959 453 R CB -0.523 29.442 30.300 -0.558 0.000 0.856 453 R HN 0.412 nan 8.270 nan 0.000 0.437 454 G N -0.340 108.331 108.800 -0.215 0.000 2.422 454 G HA2 -0.227 3.777 3.960 0.074 0.000 0.218 454 G HA3 -0.227 3.777 3.960 0.074 0.000 0.218 454 G C 1.036 175.869 174.900 -0.111 0.000 1.140 454 G CA 0.579 45.602 45.100 -0.128 0.000 0.775 454 G HN 0.375 nan 8.290 nan 0.000 0.545 455 H N -0.327 118.698 119.070 -0.075 0.000 2.428 455 H HA 0.018 4.618 4.556 0.074 0.000 0.296 455 H C 2.438 177.664 175.328 -0.170 0.000 1.062 455 H CA 1.406 57.399 56.048 -0.092 0.000 1.350 455 H CB -0.014 29.695 29.762 -0.088 0.000 1.403 455 H HN 0.469 nan 8.280 nan 0.000 0.533 456 Q N -0.396 119.283 119.800 -0.201 0.000 2.163 456 Q HA -0.015 4.369 4.340 0.074 0.000 0.198 456 Q C -0.369 175.236 176.000 -0.658 0.000 0.954 456 Q CA 0.587 56.065 55.803 -0.542 0.000 0.851 456 Q CB 0.449 28.659 28.738 -0.880 0.000 0.928 456 Q HN 0.161 nan 8.270 nan 0.000 0.459 457 F N 1.117 121.071 119.950 0.007 0.000 2.449 457 F HA 0.419 4.990 4.527 0.074 0.000 0.344 457 F C -1.984 173.818 175.800 0.003 0.000 1.180 457 F CA -2.799 55.204 58.000 0.005 0.000 1.209 457 F CB 0.362 39.360 39.000 -0.003 0.000 1.440 457 F HN -0.023 nan 8.300 nan 0.000 0.526 458 P HA 0.000 nan 4.420 nan 0.000 0.216 458 P CA 0.000 63.153 63.100 0.088 0.000 0.800 458 P CB 0.000 31.744 31.700 0.074 0.000 0.726