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 3hqt_1_B DATA FIRST_RESID 4 DATA SEQUENCE PQLPDFIQNK IDHYIENYFD INKNGKHLVL GKQASPDDII LQSNDYLALA DATA SEQUENCE NHPLIKARLA KSLLEEQQSL FMSASFLQND YDKPMIEKRL AKFTGFDECL DATA SEQUENCE LSQSGWNANV GLLQTICQPN TNVYIDFFAH MSLWEGARYA NAQAHPFMHN DATA SEQUENCE NCDHLRMLIQ RHGPGIIVVD SIYSTLGTIA PLAELVNISK EFGCALLVDE DATA SEQUENCE SHSLGTHGPN GAGLLAELGL TREVHFMTAS LAKTFAYRAG AIWCNNEVNR DATA SEQUENCE CVPFISYPAI FSSTLLPYEA AGLETTLEII ESADNRRQHL DRMARKLRIG DATA SEQUENCE LSQLGLTIRS ESQIIGLETG DERNTEKVRD YLESNGVFGS VFCRPATSKN DATA SEQUENCE KNIIRLSLNS DVNDEQIAKI IEVCSDAVNY GDFYFR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.283 177.300 -0.028 0.000 1.155 4 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 4 P CB 0.000 31.688 31.700 -0.021 0.000 0.726 5 Q N 1.638 121.421 119.800 -0.028 0.000 2.267 5 Q HA 0.452 4.792 4.340 -0.000 0.000 0.255 5 Q C -0.261 175.705 176.000 -0.056 0.000 0.923 5 Q CA -0.573 55.209 55.803 -0.036 0.000 0.925 5 Q CB 0.773 29.495 28.738 -0.027 0.000 1.195 5 Q HN 0.429 nan 8.270 nan 0.000 0.417 6 L N 6.632 127.809 121.223 -0.077 0.000 2.453 6 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 6 L C -1.760 175.019 176.870 -0.151 0.000 1.182 6 L CA -1.714 53.048 54.840 -0.129 0.000 0.858 6 L CB 0.097 42.067 42.059 -0.148 0.000 1.120 6 L HN 0.582 nan 8.230 nan 0.000 0.474 7 P HA -0.003 nan 4.420 nan 0.000 0.269 7 P C -0.228 176.899 177.300 -0.289 0.000 1.215 7 P CA -0.287 62.687 63.100 -0.210 0.000 0.780 7 P CB 0.768 32.320 31.700 -0.247 0.000 0.898 8 D N 1.143 121.489 120.400 -0.090 0.000 2.182 8 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 8 D C 1.572 177.847 176.300 -0.042 0.000 0.986 8 D CA 1.332 55.307 54.000 -0.042 0.000 0.847 8 D CB -0.383 40.440 40.800 0.038 0.000 0.942 8 D HN 0.528 nan 8.370 nan 0.000 0.467 9 F N -0.346 119.600 119.950 -0.006 0.000 2.699 9 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 9 F C 1.753 177.547 175.800 -0.010 0.000 1.154 9 F CA 0.206 58.201 58.000 -0.009 0.000 1.457 9 F CB -0.478 38.515 39.000 -0.012 0.000 1.106 9 F HN -0.096 nan 8.300 nan 0.000 0.585 10 I N -0.509 119.753 120.570 -0.514 0.000 2.962 10 I HA -0.058 4.112 4.170 -0.000 0.000 0.246 10 I C 2.413 178.430 176.117 -0.167 0.000 1.091 10 I CA 0.344 61.439 61.300 -0.341 0.000 1.469 10 I CB -0.619 37.108 38.000 -0.455 0.000 1.324 10 I HN 0.048 nan 8.210 nan 0.000 0.461 11 Q N 1.767 121.467 119.800 -0.166 0.000 2.133 11 Q HA -0.268 4.072 4.340 -0.000 0.000 0.208 11 Q C 1.809 177.793 176.000 -0.027 0.000 0.991 11 Q CA 2.143 57.897 55.803 -0.082 0.000 0.867 11 Q CB -0.379 28.315 28.738 -0.073 0.000 0.911 11 Q HN 0.315 nan 8.270 nan 0.000 0.417 12 N N 0.106 118.798 118.700 -0.014 0.000 2.058 12 N HA -0.242 4.498 4.740 -0.000 0.000 0.200 12 N C 1.373 176.921 175.510 0.064 0.000 1.033 12 N CA 1.939 55.007 53.050 0.031 0.000 0.880 12 N CB -0.386 38.126 38.487 0.040 0.000 1.069 12 N HN 0.317 nan 8.380 nan 0.000 0.461 13 K N -0.188 120.239 120.400 0.046 0.000 2.097 13 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 13 K C 1.720 178.377 176.600 0.096 0.000 1.050 13 K CA 0.755 57.091 56.287 0.081 0.000 0.938 13 K CB 0.024 32.545 32.500 0.035 0.000 0.718 13 K HN 0.069 nan 8.250 nan 0.000 0.442 14 I N 2.203 122.787 120.570 0.024 0.000 2.202 14 I HA -0.237 3.932 4.170 -0.000 0.000 0.242 14 I C 1.758 177.899 176.117 0.039 0.000 1.091 14 I CA 1.423 62.724 61.300 0.002 0.000 1.368 14 I CB -1.180 36.797 38.000 -0.038 0.000 1.058 14 I HN 0.186 nan 8.210 nan 0.000 0.410 15 D N -0.400 120.027 120.400 0.045 0.000 2.117 15 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 15 D C 2.156 178.494 176.300 0.064 0.000 0.987 15 D CA 1.223 55.250 54.000 0.046 0.000 0.829 15 D CB -0.488 40.339 40.800 0.045 0.000 0.961 15 D HN 0.454 nan 8.370 nan 0.000 0.460 16 H N -0.690 118.400 119.070 0.033 0.000 2.457 16 H HA -0.148 4.408 4.556 -0.000 0.000 0.294 16 H C 1.853 177.225 175.328 0.074 0.000 1.064 16 H CA 0.935 57.012 56.048 0.048 0.000 1.330 16 H CB -0.038 29.761 29.762 0.061 0.000 1.395 16 H HN 0.193 nan 8.280 nan 0.000 0.541 17 Y N 1.074 121.312 120.300 -0.102 0.000 2.130 17 Y HA -0.090 4.460 4.550 -0.000 0.000 0.287 17 Y C 2.722 178.425 175.900 -0.328 0.000 1.124 17 Y CA 1.573 59.534 58.100 -0.231 0.000 1.118 17 Y CB -0.343 37.914 38.460 -0.339 0.000 0.994 17 Y HN 0.049 nan 8.280 nan 0.000 0.497 18 I N 0.175 120.634 120.570 -0.185 0.000 2.315 18 I HA -0.334 3.836 4.170 -0.000 0.000 0.251 18 I C 2.066 178.078 176.117 -0.174 0.000 1.125 18 I CA 1.729 62.846 61.300 -0.306 0.000 1.392 18 I CB -0.405 37.566 38.000 -0.048 0.000 1.065 18 I HN 0.403 nan 8.210 nan 0.000 0.424 19 E N 0.841 120.951 120.200 -0.149 0.000 2.021 19 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 19 E C 1.531 178.013 176.600 -0.197 0.000 0.980 19 E CA 0.928 57.253 56.400 -0.125 0.000 0.803 19 E CB -0.071 29.569 29.700 -0.100 0.000 0.766 19 E HN 0.536 nan 8.360 nan 0.000 0.449 20 N N -0.767 117.733 118.700 -0.333 0.000 2.515 20 N HA -0.039 4.701 4.740 -0.000 0.000 0.191 20 N C 0.249 175.391 175.510 -0.612 0.000 1.182 20 N CA 0.440 53.222 53.050 -0.447 0.000 0.879 20 N CB 0.395 38.513 38.487 -0.614 0.000 0.984 20 N HN 0.197 nan 8.380 nan 0.000 0.453 21 Y N -2.163 117.843 120.300 -0.491 0.000 2.524 21 Y HA 0.195 4.745 4.550 -0.000 0.000 0.276 21 Y C 1.048 176.930 175.900 -0.029 0.000 1.155 21 Y CA -0.296 57.528 58.100 -0.459 0.000 1.165 21 Y CB 0.277 38.136 38.460 -1.001 0.000 1.306 21 Y HN -0.083 nan 8.280 nan 0.000 0.522 22 F N 0.139 120.078 119.950 -0.017 0.000 2.419 22 F HA 0.104 4.631 4.527 -0.000 0.000 0.283 22 F C 1.697 177.480 175.800 -0.028 0.000 1.044 22 F CA 0.350 58.358 58.000 0.014 0.000 1.376 22 F CB -0.849 38.194 39.000 0.071 0.000 1.131 22 F HN -0.088 nan 8.300 nan 0.000 0.585 23 D N 0.536 121.024 120.400 0.148 0.000 2.144 23 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 23 D C 2.340 178.641 176.300 0.003 0.000 0.978 23 D CA 0.863 54.899 54.000 0.059 0.000 0.833 23 D CB -0.289 40.528 40.800 0.027 0.000 0.961 23 D HN 0.226 nan 8.370 nan 0.000 0.470 24 I N 0.576 121.119 120.570 -0.044 0.000 2.916 24 I HA -0.132 4.038 4.170 -0.000 0.000 0.267 24 I C -0.144 175.935 176.117 -0.064 0.000 1.263 24 I CA 0.411 61.665 61.300 -0.077 0.000 1.471 24 I CB 0.130 38.044 38.000 -0.144 0.000 1.089 24 I HN -0.174 nan 8.210 nan 0.000 0.468 25 N N 1.499 120.176 118.700 -0.040 0.000 2.479 25 N HA 0.034 4.774 4.740 -0.000 0.000 0.285 25 N C 0.723 176.222 175.510 -0.017 0.000 1.075 25 N CA -0.047 52.981 53.050 -0.037 0.000 0.967 25 N CB 1.665 40.132 38.487 -0.034 0.000 1.137 25 N HN 0.087 nan 8.380 nan 0.000 0.472 26 K N 2.100 122.487 120.400 -0.021 0.000 2.030 26 K HA -0.269 4.051 4.320 -0.000 0.000 0.222 26 K C 1.013 177.610 176.600 -0.004 0.000 1.056 26 K CA 2.129 58.410 56.287 -0.011 0.000 0.957 26 K CB -0.038 32.456 32.500 -0.010 0.000 0.727 26 K HN 0.631 nan 8.250 nan 0.000 0.452 27 N N -0.435 118.262 118.700 -0.005 0.000 2.434 27 N HA 0.024 4.764 4.740 -0.000 0.000 0.196 27 N C 0.827 176.334 175.510 -0.005 0.000 1.183 27 N CA 1.034 54.082 53.050 -0.003 0.000 0.849 27 N CB 0.227 38.712 38.487 -0.003 0.000 0.992 27 N HN 0.547 nan 8.380 nan 0.000 0.460 28 G N -0.712 108.090 108.800 0.004 0.000 2.168 28 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.263 28 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.263 28 G C -0.066 174.833 174.900 -0.002 0.000 0.977 28 G CA 0.793 45.904 45.100 0.020 0.000 0.659 28 G HN 0.553 nan 8.290 nan 0.000 0.533 29 K N -0.607 119.767 120.400 -0.043 0.000 2.306 29 K HA 0.564 4.884 4.320 -0.000 0.000 0.236 29 K C 0.404 176.969 176.600 -0.058 0.000 1.013 29 K CA -1.052 55.137 56.287 -0.162 0.000 0.857 29 K CB 0.977 33.392 32.500 -0.141 0.000 1.214 29 K HN 0.231 nan 8.250 nan 0.000 0.449 30 H N 1.132 120.069 119.070 -0.222 0.000 2.929 30 H HA -0.060 4.496 4.556 -0.000 0.000 0.358 30 H C 0.854 176.211 175.328 0.049 0.000 1.111 30 H CA 0.508 56.611 56.048 0.092 0.000 1.409 30 H CB 0.895 30.751 29.762 0.158 0.000 1.373 30 H HN 0.416 nan 8.280 nan 0.000 0.610 31 L N 5.021 126.086 121.223 -0.264 0.000 2.447 31 L HA -0.162 4.178 4.340 -0.000 0.000 0.225 31 L C 2.216 179.125 176.870 0.065 0.000 1.148 31 L CA 1.236 56.010 54.840 -0.110 0.000 0.808 31 L CB -0.383 41.551 42.059 -0.208 0.000 0.928 31 L HN 0.599 nan 8.230 nan 0.000 0.448 32 V N -4.040 116.032 119.914 0.263 0.000 3.406 32 V HA 0.094 4.214 4.120 -0.000 0.000 0.263 32 V C 0.928 177.084 176.094 0.103 0.000 1.172 32 V CA 0.057 62.456 62.300 0.164 0.000 1.140 32 V CB -0.765 31.140 31.823 0.138 0.000 0.784 32 V HN 0.128 nan 8.190 nan 0.000 0.467 33 L N 2.324 123.604 121.223 0.095 0.000 2.270 33 L HA 0.728 5.068 4.340 -0.000 0.000 0.286 33 L C 1.100 178.000 176.870 0.049 0.000 1.059 33 L CA 0.049 54.923 54.840 0.056 0.000 0.839 33 L CB 0.545 42.613 42.059 0.015 0.000 1.221 33 L HN 0.252 nan 8.230 nan 0.000 0.431 34 G N 3.287 112.133 108.800 0.077 0.000 2.783 34 G HA2 0.218 4.178 3.960 -0.000 0.000 0.182 34 G HA3 0.218 4.178 3.960 -0.000 0.000 0.182 34 G C -0.146 174.811 174.900 0.095 0.000 1.516 34 G CA -0.528 44.611 45.100 0.065 0.000 1.079 34 G HN 0.613 nan 8.290 nan 0.000 0.573 35 K N -0.412 120.069 120.400 0.135 0.000 2.098 35 K HA 0.346 4.666 4.320 -0.000 0.000 0.244 35 K C -0.065 176.672 176.600 0.229 0.000 1.014 35 K CA -0.556 55.824 56.287 0.153 0.000 0.917 35 K CB 1.047 33.630 32.500 0.138 0.000 1.072 35 K HN 0.410 nan 8.250 nan 0.000 0.477 36 Q N 0.811 120.683 119.800 0.121 0.000 2.297 36 Q HA 0.191 4.531 4.340 -0.000 0.000 0.267 36 Q C -0.625 175.351 176.000 -0.039 0.000 1.006 36 Q CA -0.454 55.373 55.803 0.040 0.000 0.896 36 Q CB 0.946 29.684 28.738 0.000 0.000 1.186 36 Q HN 0.681 nan 8.270 nan 0.000 0.392 37 A N 3.377 126.008 122.820 -0.316 0.000 2.406 37 A HA 0.360 4.680 4.320 -0.000 0.000 0.243 37 A C 0.033 177.438 177.584 -0.298 0.000 1.082 37 A CA 0.225 51.850 52.037 -0.687 0.000 0.786 37 A CB 0.414 18.743 19.000 -1.119 0.000 1.029 37 A HN 0.910 nan 8.150 nan 0.000 0.495 38 S N 0.626 116.184 115.700 -0.236 0.000 2.801 38 S HA 0.709 5.178 4.470 -0.000 0.000 0.312 38 S C -1.968 172.569 174.600 -0.105 0.000 1.112 38 S CA -0.744 57.387 58.200 -0.116 0.000 0.943 38 S CB 0.398 63.567 63.200 -0.052 0.000 1.269 38 S HN 0.396 nan 8.310 nan 0.000 0.558 39 P HA 0.090 nan 4.420 nan 0.000 0.213 39 P C 1.226 178.507 177.300 -0.032 0.000 1.170 39 P CA 2.013 65.087 63.100 -0.043 0.000 0.893 39 P CB -0.753 30.932 31.700 -0.025 0.000 0.784 40 D N -0.455 119.936 120.400 -0.015 0.000 2.363 40 D HA -0.037 4.603 4.640 -0.000 0.000 0.226 40 D C 0.494 176.806 176.300 0.019 0.000 1.020 40 D CA 0.314 54.317 54.000 0.005 0.000 0.892 40 D CB -0.588 40.219 40.800 0.012 0.000 0.900 40 D HN 0.201 nan 8.370 nan 0.000 0.531 41 D N -0.692 119.712 120.400 0.006 0.000 2.358 41 D HA 0.350 4.990 4.640 -0.000 0.000 0.244 41 D C 0.257 176.592 176.300 0.059 0.000 1.163 41 D CA -0.201 53.830 54.000 0.052 0.000 0.945 41 D CB 1.583 42.395 40.800 0.021 0.000 1.152 41 D HN 0.286 nan 8.370 nan 0.000 0.451 42 I N 2.092 122.741 120.570 0.131 0.000 2.297 42 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 42 I C -0.129 176.090 176.117 0.170 0.000 1.033 42 I CA -0.549 60.825 61.300 0.124 0.000 1.253 42 I CB 0.716 38.786 38.000 0.117 0.000 1.396 42 I HN -0.019 nan 8.210 nan 0.000 0.476 43 I N 8.031 128.668 120.570 0.111 0.000 2.312 43 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 43 I C 0.066 176.266 176.117 0.138 0.000 1.008 43 I CA -0.420 60.954 61.300 0.122 0.000 1.226 43 I CB 1.070 39.089 38.000 0.031 0.000 1.371 43 I HN 0.550 nan 8.210 nan 0.000 0.468 44 L N 6.435 127.763 121.223 0.176 0.000 2.960 44 L HA 0.345 4.685 4.340 -0.000 0.000 0.274 44 L C 0.812 177.792 176.870 0.183 0.000 1.327 44 L CA 0.159 55.098 54.840 0.164 0.000 0.860 44 L CB 0.218 42.367 42.059 0.150 0.000 1.239 44 L HN 0.596 nan 8.230 nan 0.000 0.551 45 Q N -1.127 118.776 119.800 0.172 0.000 2.280 45 Q HA 0.195 4.534 4.340 -0.000 0.000 0.244 45 Q C 0.765 176.858 176.000 0.155 0.000 0.847 45 Q CA -0.101 55.810 55.803 0.182 0.000 0.945 45 Q CB 1.448 30.285 28.738 0.165 0.000 1.115 45 Q HN 0.369 nan 8.270 nan 0.000 0.513 46 S N 0.636 116.406 115.700 0.117 0.000 2.584 46 S HA 0.181 4.651 4.470 -0.000 0.000 0.273 46 S C 0.631 175.236 174.600 0.008 0.000 1.311 46 S CA -0.453 57.783 58.200 0.059 0.000 1.034 46 S CB 0.524 63.747 63.200 0.039 0.000 0.939 46 S HN 0.204 nan 8.310 nan 0.000 0.513 47 N N 2.018 120.651 118.700 -0.112 0.000 2.336 47 N HA 0.028 4.768 4.740 -0.000 0.000 0.189 47 N C -0.392 174.670 175.510 -0.747 0.000 1.113 47 N CA 0.147 52.925 53.050 -0.454 0.000 0.858 47 N CB -0.001 38.335 38.487 -0.251 0.000 0.970 47 N HN 0.613 nan 8.380 nan 0.000 0.471 48 D N 0.232 120.445 120.400 -0.311 0.000 2.545 48 D HA -0.019 4.621 4.640 -0.000 0.000 0.227 48 D C 0.708 176.973 176.300 -0.059 0.000 1.150 48 D CA -0.164 53.739 54.000 -0.161 0.000 1.046 48 D CB -0.465 40.313 40.800 -0.038 0.000 1.098 48 D HN 0.222 nan 8.370 nan 0.000 0.502 49 Y N 0.976 121.332 120.300 0.094 0.000 2.352 49 Y HA -0.055 4.495 4.550 -0.000 0.000 0.292 49 Y C 1.806 177.751 175.900 0.075 0.000 1.136 49 Y CA 0.349 58.505 58.100 0.094 0.000 1.227 49 Y CB 0.215 38.744 38.460 0.114 0.000 0.991 49 Y HN 0.295 nan 8.280 nan 0.000 0.545 50 L N -0.221 121.112 121.223 0.184 0.000 2.700 50 L HA 0.341 4.681 4.340 -0.000 0.000 0.234 50 L C 1.019 177.949 176.870 0.100 0.000 1.156 50 L CA 0.007 54.922 54.840 0.125 0.000 0.946 50 L CB -0.296 41.809 42.059 0.077 0.000 1.216 50 L HN 0.208 nan 8.230 nan 0.000 0.493 51 A N 0.563 123.441 122.820 0.096 0.000 2.687 51 A HA -0.209 4.111 4.320 -0.000 0.000 0.299 51 A C 1.058 178.692 177.584 0.083 0.000 1.497 51 A CA 0.717 52.803 52.037 0.081 0.000 0.751 51 A CB -1.922 17.129 19.000 0.085 0.000 1.048 51 A HN 0.470 nan 8.150 nan 0.000 0.464 52 L N -1.482 119.785 121.223 0.074 0.000 2.567 52 L HA 0.090 4.430 4.340 -0.000 0.000 0.225 52 L C 2.648 179.581 176.870 0.105 0.000 1.119 52 L CA 0.714 55.611 54.840 0.095 0.000 0.871 52 L CB -0.461 41.607 42.059 0.014 0.000 1.036 52 L HN 0.715 nan 8.230 nan 0.000 0.459 53 A N 0.864 123.730 122.820 0.078 0.000 1.958 53 A HA -0.277 4.043 4.320 -0.000 0.000 0.221 53 A C 1.865 179.500 177.584 0.085 0.000 1.178 53 A CA 2.371 54.453 52.037 0.076 0.000 0.642 53 A CB -0.506 18.526 19.000 0.053 0.000 0.816 53 A HN 0.466 nan 8.150 nan 0.000 0.453 54 N N -1.319 117.430 118.700 0.081 0.000 2.214 54 N HA 0.010 4.750 4.740 -0.000 0.000 0.214 54 N C 0.076 175.627 175.510 0.068 0.000 1.132 54 N CA -0.259 52.827 53.050 0.061 0.000 0.856 54 N CB -0.206 38.299 38.487 0.029 0.000 1.020 54 N HN 0.479 nan 8.380 nan 0.000 0.509 55 H N 1.775 120.853 119.070 0.014 0.000 3.026 55 H HA 0.065 4.621 4.556 -0.000 0.000 0.289 55 H C -1.502 173.830 175.328 0.006 0.000 1.022 55 H CA -1.149 54.902 56.048 0.006 0.000 1.477 55 H CB 1.286 31.046 29.762 -0.003 0.000 1.510 55 H HN 0.213 nan 8.280 nan 0.000 0.535 56 P HA -0.219 nan 4.420 nan 0.000 0.216 56 P C 1.792 179.183 177.300 0.152 0.000 1.153 56 P CA 0.583 63.705 63.100 0.037 0.000 0.858 56 P CB 0.422 32.086 31.700 -0.059 0.000 0.789 57 L N -0.512 120.911 121.223 0.334 0.000 2.046 57 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 57 L C 2.566 179.501 176.870 0.108 0.000 1.077 57 L CA 1.537 56.504 54.840 0.212 0.000 0.747 57 L CB -1.276 40.913 42.059 0.218 0.000 0.896 57 L HN -0.158 nan 8.230 nan 0.000 0.432 58 I N -0.886 119.749 120.570 0.108 0.000 2.179 58 I HA -0.317 3.852 4.170 -0.000 0.000 0.242 58 I C 2.361 178.510 176.117 0.054 0.000 1.088 58 I CA 1.254 62.566 61.300 0.020 0.000 1.357 58 I CB -0.474 37.521 38.000 -0.007 0.000 1.051 58 I HN 0.214 nan 8.210 nan 0.000 0.409 59 K N 1.169 121.622 120.400 0.088 0.000 2.063 59 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 59 K C 2.307 178.941 176.600 0.056 0.000 1.048 59 K CA 1.573 57.904 56.287 0.074 0.000 0.928 59 K CB -0.326 32.216 32.500 0.070 0.000 0.713 59 K HN 0.325 nan 8.250 nan 0.000 0.442 60 A N 1.867 124.719 122.820 0.054 0.000 1.858 60 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 60 A C 2.182 179.784 177.584 0.030 0.000 1.190 60 A CA 1.835 53.895 52.037 0.038 0.000 0.617 60 A CB -0.492 18.531 19.000 0.039 0.000 0.827 60 A HN 0.203 nan 8.150 nan 0.000 0.443 61 R N -0.816 119.701 120.500 0.028 0.000 2.096 61 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 61 R C 1.830 178.147 176.300 0.029 0.000 1.127 61 R CA 1.465 57.576 56.100 0.018 0.000 0.968 61 R CB -0.662 29.639 30.300 0.001 0.000 0.861 61 R HN 0.396 nan 8.270 nan 0.000 0.440 62 L N 0.078 121.325 121.223 0.041 0.000 2.027 62 L HA 0.101 4.441 4.340 -0.000 0.000 0.206 62 L C 2.194 179.109 176.870 0.075 0.000 1.074 62 L CA 2.132 57.021 54.840 0.082 0.000 0.745 62 L CB -0.984 41.132 42.059 0.094 0.000 0.898 62 L HN 0.291 nan 8.230 nan 0.000 0.433 63 A N -0.682 122.162 122.820 0.041 0.000 1.883 63 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 63 A C 2.439 180.016 177.584 -0.013 0.000 1.186 63 A CA 2.103 54.142 52.037 0.002 0.000 0.624 63 A CB -0.662 18.342 19.000 0.007 0.000 0.822 63 A HN 0.461 nan 8.150 nan 0.000 0.444 64 K N -0.467 119.936 120.400 0.005 0.000 2.020 64 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 64 K C 2.377 178.977 176.600 0.000 0.000 1.050 64 K CA 1.790 58.078 56.287 0.001 0.000 0.929 64 K CB -0.307 32.198 32.500 0.009 0.000 0.714 64 K HN 0.415 nan 8.250 nan 0.000 0.443 65 S N 0.600 116.314 115.700 0.023 0.000 2.382 65 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 65 S C 1.870 176.485 174.600 0.026 0.000 1.027 65 S CA 1.198 59.430 58.200 0.052 0.000 0.991 65 S CB -0.317 62.945 63.200 0.105 0.000 0.823 65 S HN 0.401 nan 8.310 nan 0.000 0.469 66 L N 1.389 122.560 121.223 -0.086 0.000 2.131 66 L HA 0.138 4.478 4.340 -0.000 0.000 0.210 66 L C 1.850 178.604 176.870 -0.194 0.000 1.092 66 L CA 1.642 56.266 54.840 -0.361 0.000 0.759 66 L CB -0.623 41.087 42.059 -0.582 0.000 0.903 66 L HN 0.374 nan 8.230 nan 0.000 0.435 67 L N -0.482 120.680 121.223 -0.101 0.000 2.313 67 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 67 L C 1.247 178.097 176.870 -0.034 0.000 1.119 67 L CA 0.025 54.828 54.840 -0.062 0.000 0.809 67 L CB -0.477 41.557 42.059 -0.041 0.000 0.933 67 L HN 0.303 nan 8.230 nan 0.000 0.449 68 E N 1.053 121.242 120.200 -0.019 0.000 2.428 68 E HA -0.078 4.272 4.350 -0.000 0.000 0.257 68 E C -0.017 176.586 176.600 0.004 0.000 1.197 68 E CA -0.215 56.184 56.400 -0.000 0.000 0.974 68 E CB 0.384 30.092 29.700 0.014 0.000 0.976 68 E HN 0.123 nan 8.360 nan 0.000 0.463 69 E N 1.515 121.723 120.200 0.013 0.000 2.351 69 E HA -0.080 4.269 4.350 -0.000 0.000 0.266 69 E C -0.670 175.951 176.600 0.034 0.000 1.031 69 E CA -0.143 56.269 56.400 0.020 0.000 0.911 69 E CB 0.449 30.160 29.700 0.018 0.000 0.986 69 E HN 0.135 nan 8.360 nan 0.000 0.446 70 Q N 3.680 123.507 119.800 0.046 0.000 2.274 70 Q HA 0.129 4.469 4.340 -0.000 0.000 0.256 70 Q C -0.729 175.314 176.000 0.072 0.000 0.927 70 Q CA -0.224 55.622 55.803 0.072 0.000 0.939 70 Q CB 1.395 30.197 28.738 0.107 0.000 1.201 70 Q HN 0.604 nan 8.270 nan 0.000 0.426 71 Q N 0.237 120.074 119.800 0.061 0.000 2.288 71 Q HA 0.289 4.629 4.340 -0.000 0.000 0.254 71 Q C -0.103 175.943 176.000 0.077 0.000 0.932 71 Q CA -0.310 55.528 55.803 0.059 0.000 0.902 71 Q CB 0.759 29.523 28.738 0.043 0.000 1.203 71 Q HN 0.350 nan 8.270 nan 0.000 0.415 72 S N 2.974 118.739 115.700 0.107 0.000 2.962 72 S HA 0.118 4.588 4.470 -0.000 0.000 0.320 72 S C -0.172 174.512 174.600 0.141 0.000 1.186 72 S CA -0.357 57.961 58.200 0.196 0.000 1.180 72 S CB -0.557 62.756 63.200 0.188 0.000 1.491 72 S HN 0.479 nan 8.310 nan 0.000 0.556 73 L N 5.574 126.780 121.223 -0.028 0.000 2.783 73 L HA 0.378 4.717 4.340 -0.000 0.000 0.235 73 L C -0.906 175.762 176.870 -0.336 0.000 1.260 73 L CA -0.216 54.538 54.840 -0.143 0.000 1.184 73 L CB -0.335 41.637 42.059 -0.144 0.000 1.472 73 L HN 0.517 nan 8.230 nan 0.000 0.426 74 F N 3.123 123.090 119.950 0.029 0.000 2.300 74 F HA 0.518 5.045 4.527 -0.000 0.000 0.364 74 F C 0.459 176.276 175.800 0.029 0.000 1.090 74 F CA -0.478 57.540 58.000 0.030 0.000 1.200 74 F CB 0.542 39.558 39.000 0.027 0.000 1.493 74 F HN 0.251 nan 8.300 nan 0.000 0.518 75 M N -0.693 118.979 119.600 0.120 0.000 3.012 75 M HA 0.424 4.904 4.480 -0.000 0.000 0.272 75 M C -0.955 175.436 176.300 0.151 0.000 1.187 75 M CA -0.939 54.447 55.300 0.144 0.000 0.813 75 M CB 1.554 34.219 32.600 0.109 0.000 1.626 75 M HN -0.033 nan 8.290 nan 0.000 0.507 76 S N 0.127 115.977 115.700 0.249 0.000 2.579 76 S HA 0.516 4.986 4.470 -0.000 0.000 0.275 76 S C 1.093 175.694 174.600 0.001 0.000 1.345 76 S CA 0.448 58.690 58.200 0.070 0.000 1.031 76 S CB 1.150 64.307 63.200 -0.071 0.000 0.892 76 S HN 0.848 nan 8.310 nan 0.000 0.529 77 A N 3.656 126.395 122.820 -0.136 0.000 2.119 77 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 77 A C 2.284 179.682 177.584 -0.310 0.000 1.153 77 A CA 1.471 53.398 52.037 -0.184 0.000 0.692 77 A CB -0.959 17.918 19.000 -0.205 0.000 0.799 77 A HN 0.812 nan 8.150 nan 0.000 0.458 78 S N 0.010 115.425 115.700 -0.475 0.000 2.378 78 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 78 S C 1.324 175.660 174.600 -0.439 0.000 1.052 78 S CA 1.943 59.725 58.200 -0.697 0.000 1.084 78 S CB -0.676 61.995 63.200 -0.883 0.000 0.950 78 S HN 0.668 nan 8.310 nan 0.000 0.440 79 F N 0.830 120.733 119.950 -0.078 0.000 2.722 79 F HA 0.167 4.694 4.527 -0.000 0.000 0.298 79 F C 1.163 176.938 175.800 -0.042 0.000 1.175 79 F CA 0.382 58.372 58.000 -0.018 0.000 1.462 79 F CB -0.335 38.660 39.000 -0.009 0.000 1.111 79 F HN 0.100 nan 8.300 nan 0.000 0.592 80 L N -0.220 121.005 121.223 0.005 0.000 3.066 80 L HA 0.186 4.526 4.340 -0.000 0.000 0.265 80 L C 1.243 178.040 176.870 -0.122 0.000 1.232 80 L CA -0.066 54.746 54.840 -0.046 0.000 1.031 80 L CB 0.037 42.063 42.059 -0.054 0.000 1.379 80 L HN -0.029 nan 8.230 nan 0.000 0.563 81 Q N -0.130 119.602 119.800 -0.113 0.000 2.360 81 Q HA 0.176 4.516 4.340 -0.000 0.000 0.202 81 Q C 0.249 176.187 176.000 -0.103 0.000 0.915 81 Q CA 0.111 55.850 55.803 -0.106 0.000 0.943 81 Q CB 0.127 28.823 28.738 -0.070 0.000 1.064 81 Q HN 0.403 nan 8.270 nan 0.000 0.511 82 N N 2.562 121.137 118.700 -0.209 0.000 2.407 82 N HA -0.082 4.657 4.740 -0.000 0.000 0.250 82 N C 0.670 175.896 175.510 -0.474 0.000 1.236 82 N CA 0.370 53.170 53.050 -0.416 0.000 0.879 82 N CB 0.829 38.820 38.487 -0.827 0.000 1.088 82 N HN 0.180 nan 8.380 nan 0.000 0.450 83 D N 1.367 121.585 120.400 -0.303 0.000 2.158 83 D HA -0.272 4.368 4.640 -0.000 0.000 0.197 83 D C 1.426 177.659 176.300 -0.112 0.000 0.995 83 D CA 1.730 55.645 54.000 -0.142 0.000 0.846 83 D CB -0.739 40.047 40.800 -0.024 0.000 0.941 83 D HN 0.826 nan 8.370 nan 0.000 0.456 84 Y N -1.312 118.997 120.300 0.015 0.000 2.616 84 Y HA 0.211 4.760 4.550 -0.000 0.000 0.296 84 Y C 0.812 176.716 175.900 0.007 0.000 1.154 84 Y CA 0.399 58.506 58.100 0.011 0.000 1.325 84 Y CB -0.268 38.200 38.460 0.014 0.000 1.007 84 Y HN -0.187 nan 8.280 nan 0.000 0.542 85 D N 0.219 120.506 120.400 -0.188 0.000 2.392 85 D HA 0.066 4.706 4.640 -0.000 0.000 0.206 85 D C 0.055 176.309 176.300 -0.076 0.000 1.046 85 D CA 0.281 54.235 54.000 -0.076 0.000 0.865 85 D CB 0.171 40.885 40.800 -0.144 0.000 0.969 85 D HN 0.260 nan 8.370 nan 0.000 0.509 86 K N 2.567 122.906 120.400 -0.101 0.000 2.339 86 K HA 0.186 4.506 4.320 -0.000 0.000 0.286 86 K C -2.255 174.314 176.600 -0.053 0.000 1.050 86 K CA -1.276 54.960 56.287 -0.085 0.000 0.956 86 K CB 0.839 33.286 32.500 -0.089 0.000 0.990 86 K HN 0.036 nan 8.250 nan 0.000 0.475 87 P HA -0.013 nan 4.420 nan 0.000 0.272 87 P C 0.213 177.490 177.300 -0.038 0.000 1.223 87 P CA -0.266 62.805 63.100 -0.049 0.000 0.784 87 P CB 0.756 32.412 31.700 -0.073 0.000 0.923 88 M N 2.450 122.037 119.600 -0.022 0.000 2.319 88 M HA -0.071 4.408 4.480 -0.000 0.000 0.265 88 M C 1.719 178.014 176.300 -0.007 0.000 1.068 88 M CA 1.161 56.457 55.300 -0.007 0.000 1.118 88 M CB -1.260 31.342 32.600 0.003 0.000 1.395 88 M HN 0.336 nan 8.290 nan 0.000 0.435 89 I N 0.492 121.047 120.570 -0.026 0.000 2.335 89 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 89 I C 1.806 177.911 176.117 -0.021 0.000 1.129 89 I CA 1.809 63.094 61.300 -0.024 0.000 1.402 89 I CB -0.389 37.579 38.000 -0.053 0.000 1.069 89 I HN 0.417 nan 8.210 nan 0.000 0.424 90 E N 0.164 120.332 120.200 -0.053 0.000 2.038 90 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 90 E C 2.170 178.776 176.600 0.010 0.000 1.000 90 E CA 1.614 57.972 56.400 -0.071 0.000 0.803 90 E CB -0.186 29.452 29.700 -0.104 0.000 0.750 90 E HN 0.415 nan 8.360 nan 0.000 0.448 91 K N 0.630 121.045 120.400 0.026 0.000 2.063 91 K HA -0.123 4.196 4.320 -0.000 0.000 0.208 91 K C 2.130 178.797 176.600 0.112 0.000 1.048 91 K CA 1.246 57.572 56.287 0.065 0.000 0.928 91 K CB -0.030 32.499 32.500 0.048 0.000 0.713 91 K HN -0.011 nan 8.250 nan 0.000 0.442 92 R N 0.096 120.656 120.500 0.101 0.000 2.115 92 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 92 R C 2.213 178.651 176.300 0.231 0.000 1.100 92 R CA 0.851 57.031 56.100 0.133 0.000 0.980 92 R CB -0.237 30.110 30.300 0.079 0.000 0.875 92 R HN 0.121 nan 8.270 nan 0.000 0.445 93 L N 0.161 121.533 121.223 0.248 0.000 2.093 93 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 93 L C 2.612 179.909 176.870 0.711 0.000 1.085 93 L CA 1.053 56.171 54.840 0.464 0.000 0.755 93 L CB -0.508 41.758 42.059 0.345 0.000 0.904 93 L HN 0.250 nan 8.230 nan 0.000 0.435 94 A N 0.169 123.305 122.820 0.527 0.000 1.851 94 A HA -0.281 4.038 4.320 -0.000 0.000 0.216 94 A C 2.380 180.184 177.584 0.367 0.000 1.195 94 A CA 2.087 54.440 52.037 0.526 0.000 0.622 94 A CB -0.532 18.660 19.000 0.321 0.000 0.831 94 A HN 0.299 nan 8.150 nan 0.000 0.444 95 K N -1.612 118.954 120.400 0.277 0.000 2.063 95 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 95 K C 1.830 178.571 176.600 0.234 0.000 1.048 95 K CA 1.737 58.148 56.287 0.207 0.000 0.928 95 K CB -0.365 32.236 32.500 0.168 0.000 0.713 95 K HN 0.386 nan 8.250 nan 0.000 0.442 96 F N 1.856 121.887 119.950 0.135 0.000 2.091 96 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 96 F C 2.252 178.091 175.800 0.065 0.000 1.103 96 F CA 2.388 60.454 58.000 0.111 0.000 1.228 96 F CB -0.843 38.253 39.000 0.159 0.000 0.984 96 F HN 0.180 nan 8.300 nan 0.000 0.477 97 T N -3.223 111.268 114.554 -0.105 0.000 3.057 97 T HA 0.355 4.705 4.350 -0.000 0.000 0.254 97 T C 1.730 176.377 174.700 -0.088 0.000 1.094 97 T CA 0.619 62.541 62.100 -0.297 0.000 1.088 97 T CB -0.181 68.410 68.868 -0.462 0.000 0.934 97 T HN 0.768 nan 8.240 nan 0.000 0.497 98 G N 0.620 109.426 108.800 0.010 0.000 2.175 98 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 98 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 98 G C -0.126 174.753 174.900 -0.035 0.000 0.982 98 G CA -0.290 44.792 45.100 -0.030 0.000 0.641 98 G HN 0.519 nan 8.290 nan 0.000 0.527 99 F N 1.353 121.307 119.950 0.006 0.000 2.371 99 F HA 0.460 4.987 4.527 -0.000 0.000 0.329 99 F C 1.609 177.492 175.800 0.138 0.000 1.107 99 F CA -0.094 57.957 58.000 0.086 0.000 1.137 99 F CB 0.823 39.938 39.000 0.191 0.000 1.214 99 F HN -0.072 nan 8.300 nan 0.000 0.536 100 D N 0.508 121.067 120.400 0.265 0.000 2.077 100 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 100 D C 0.318 176.738 176.300 0.200 0.000 0.989 100 D CA 1.492 55.597 54.000 0.175 0.000 0.831 100 D CB -0.022 40.850 40.800 0.122 0.000 0.979 100 D HN 0.513 nan 8.370 nan 0.000 0.449 101 E N -1.052 119.282 120.200 0.223 0.000 2.277 101 E HA 0.450 4.800 4.350 -0.000 0.000 0.266 101 E C -1.394 175.269 176.600 0.104 0.000 0.901 101 E CA -0.633 55.851 56.400 0.140 0.000 0.782 101 E CB 2.886 32.642 29.700 0.093 0.000 1.228 101 E HN 0.100 nan 8.360 nan 0.000 0.424 102 C N 3.418 122.690 119.300 -0.045 0.000 2.626 102 C HA 0.736 5.196 4.460 -0.000 0.000 0.310 102 C C -1.634 173.173 174.990 -0.306 0.000 1.191 102 C CA -0.557 58.265 59.018 -0.327 0.000 1.517 102 C CB 0.577 28.031 27.740 -0.477 0.000 2.102 102 C HN 0.687 nan 8.230 nan 0.000 0.479 103 L N 5.629 126.612 121.223 -0.400 0.000 2.409 103 L HA 0.628 4.968 4.340 -0.000 0.000 0.272 103 L C -0.792 175.875 176.870 -0.339 0.000 0.980 103 L CA -0.324 54.336 54.840 -0.299 0.000 0.826 103 L CB 1.540 43.463 42.059 -0.226 0.000 1.268 103 L HN 0.712 nan 8.230 nan 0.000 0.407 104 L N 3.252 124.315 121.223 -0.268 0.000 2.439 104 L HA 0.444 4.784 4.340 -0.000 0.000 0.269 104 L C 0.283 177.042 176.870 -0.186 0.000 1.179 104 L CA 0.226 54.927 54.840 -0.232 0.000 0.828 104 L CB 1.440 43.391 42.059 -0.182 0.000 1.106 104 L HN 0.778 nan 8.230 nan 0.000 0.467 105 S N 0.606 116.215 115.700 -0.152 0.000 2.588 105 S HA 0.295 4.765 4.470 -0.000 0.000 0.275 105 S C 0.088 174.654 174.600 -0.057 0.000 1.130 105 S CA -0.644 57.495 58.200 -0.102 0.000 0.855 105 S CB 1.957 65.100 63.200 -0.095 0.000 1.116 105 S HN 0.625 nan 8.310 nan 0.000 0.472 106 Q N 0.984 120.768 119.800 -0.027 0.000 2.297 106 Q HA 0.181 4.521 4.340 -0.000 0.000 0.204 106 Q C 0.509 176.511 176.000 0.003 0.000 0.962 106 Q CA 0.783 56.580 55.803 -0.011 0.000 0.879 106 Q CB 0.073 28.812 28.738 0.002 0.000 0.947 106 Q HN 0.688 nan 8.270 nan 0.000 0.462 107 S N -3.288 112.431 115.700 0.031 0.000 2.656 107 S HA 0.598 5.068 4.470 -0.000 0.000 0.273 107 S C 0.783 175.426 174.600 0.072 0.000 1.168 107 S CA -0.600 57.635 58.200 0.058 0.000 0.817 107 S CB 0.828 64.092 63.200 0.106 0.000 1.146 107 S HN 0.057 nan 8.310 nan 0.000 0.475 108 G N 0.016 108.868 108.800 0.087 0.000 2.421 108 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 108 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 108 G C 1.063 176.044 174.900 0.135 0.000 1.143 108 G CA 0.567 45.707 45.100 0.068 0.000 0.784 108 G HN 0.706 nan 8.290 nan 0.000 0.541 109 W N 2.006 123.331 121.300 0.043 0.000 2.355 109 W HA -0.119 4.541 4.660 -0.000 0.000 0.309 109 W C 1.850 178.408 176.519 0.065 0.000 1.206 109 W CA 1.489 58.890 57.345 0.095 0.000 1.284 109 W CB -0.421 29.115 29.460 0.126 0.000 1.145 109 W HN 0.174 nan 8.180 nan 0.000 0.502 110 N N 0.867 119.775 118.700 0.346 0.000 2.120 110 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 110 N C 1.997 177.534 175.510 0.046 0.000 1.024 110 N CA 2.368 55.541 53.050 0.206 0.000 0.852 110 N CB -1.183 37.404 38.487 0.166 0.000 1.003 110 N HN 0.163 nan 8.380 nan 0.000 0.424 111 A N 1.578 124.404 122.820 0.011 0.000 1.896 111 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 111 A C 2.015 179.546 177.584 -0.089 0.000 1.206 111 A CA 1.995 53.998 52.037 -0.057 0.000 0.647 111 A CB -0.700 18.267 19.000 -0.055 0.000 0.828 111 A HN 0.305 nan 8.150 nan 0.000 0.455 112 N N -0.387 118.250 118.700 -0.105 0.000 2.216 112 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 112 N C 1.755 177.146 175.510 -0.199 0.000 1.017 112 N CA 1.406 54.358 53.050 -0.164 0.000 0.861 112 N CB -0.564 37.807 38.487 -0.193 0.000 0.986 112 N HN 0.292 nan 8.380 nan 0.000 0.428 113 V N 1.188 120.987 119.914 -0.191 0.000 2.237 113 V HA -0.163 3.956 4.120 -0.000 0.000 0.245 113 V C 2.536 178.586 176.094 -0.073 0.000 1.046 113 V CA 2.150 64.379 62.300 -0.117 0.000 1.007 113 V CB -1.352 30.495 31.823 0.040 0.000 0.638 113 V HN 0.309 nan 8.190 nan 0.000 0.445 114 G N -0.064 108.707 108.800 -0.048 0.000 2.513 114 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.219 114 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.219 114 G C 1.599 176.425 174.900 -0.125 0.000 1.160 114 G CA 1.577 46.636 45.100 -0.068 0.000 0.767 114 G HN 0.433 nan 8.290 nan 0.000 0.571 115 L N 0.303 121.428 121.223 -0.164 0.000 2.027 115 L HA 0.175 4.515 4.340 -0.000 0.000 0.206 115 L C 2.712 179.423 176.870 -0.264 0.000 1.074 115 L CA 1.311 56.006 54.840 -0.241 0.000 0.745 115 L CB -0.466 41.425 42.059 -0.280 0.000 0.898 115 L HN 0.230 nan 8.230 nan 0.000 0.433 116 L N -0.797 120.292 121.223 -0.224 0.000 2.141 116 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 116 L C 2.632 179.401 176.870 -0.169 0.000 1.094 116 L CA 1.450 56.164 54.840 -0.210 0.000 0.763 116 L CB -0.507 41.426 42.059 -0.209 0.000 0.908 116 L HN 0.486 nan 8.230 nan 0.000 0.437 117 Q N -0.574 119.138 119.800 -0.146 0.000 2.224 117 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 117 Q C 1.906 177.827 176.000 -0.131 0.000 0.970 117 Q CA 1.708 57.429 55.803 -0.136 0.000 0.865 117 Q CB 0.167 28.815 28.738 -0.151 0.000 0.922 117 Q HN 0.427 nan 8.270 nan 0.000 0.445 118 T N 1.144 115.617 114.554 -0.135 0.000 2.851 118 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 118 T C 1.745 176.381 174.700 -0.105 0.000 1.043 118 T CA 1.242 63.276 62.100 -0.110 0.000 1.140 118 T CB -0.053 68.745 68.868 -0.117 0.000 0.872 118 T HN 0.543 nan 8.240 nan 0.000 0.446 119 I N -1.342 119.137 120.570 -0.152 0.000 3.427 119 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 119 I C 0.359 176.426 176.117 -0.083 0.000 1.249 119 I CA -0.278 60.950 61.300 -0.121 0.000 1.421 119 I CB -0.300 37.574 38.000 -0.209 0.000 1.086 119 I HN 0.053 nan 8.210 nan 0.000 0.448 120 C N 2.554 121.794 119.300 -0.100 0.000 2.459 120 C HA 0.497 4.957 4.460 -0.000 0.000 0.374 120 C C 0.305 175.257 174.990 -0.063 0.000 1.241 120 C CA -0.395 58.572 59.018 -0.085 0.000 2.352 120 C CB 0.969 28.644 27.740 -0.108 0.000 2.490 120 C HN 0.447 nan 8.230 nan 0.000 0.583 121 Q N 1.064 120.834 119.800 -0.050 0.000 2.359 121 Q HA 0.418 4.758 4.340 -0.000 0.000 0.275 121 Q C -2.586 173.389 176.000 -0.042 0.000 1.082 121 Q CA -1.847 53.934 55.803 -0.037 0.000 0.849 121 Q CB 1.101 29.826 28.738 -0.021 0.000 1.377 121 Q HN 0.406 nan 8.270 nan 0.000 0.452 122 P HA -0.011 nan 4.420 nan 0.000 0.265 122 P C -0.758 176.524 177.300 -0.030 0.000 1.193 122 P CA 0.528 63.609 63.100 -0.031 0.000 0.765 122 P CB 0.103 31.793 31.700 -0.017 0.000 0.823 123 N N -1.431 117.244 118.700 -0.042 0.000 2.747 123 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 123 N C -0.780 174.709 175.510 -0.035 0.000 1.107 123 N CA 0.679 53.708 53.050 -0.035 0.000 0.707 123 N CB -1.993 36.492 38.487 -0.004 0.000 1.054 123 N HN 0.367 nan 8.380 nan 0.000 0.555 124 T N 0.936 115.451 114.554 -0.065 0.000 2.780 124 T HA 0.185 4.535 4.350 -0.000 0.000 0.294 124 T C 0.364 174.987 174.700 -0.127 0.000 0.949 124 T CA -0.608 61.450 62.100 -0.070 0.000 1.074 124 T CB 0.518 69.341 68.868 -0.074 0.000 0.910 124 T HN 0.125 nan 8.240 nan 0.000 0.501 125 N N 2.620 121.247 118.700 -0.121 0.000 2.447 125 N HA 0.127 4.867 4.740 -0.000 0.000 0.263 125 N C -0.707 174.553 175.510 -0.417 0.000 1.226 125 N CA 0.025 52.916 53.050 -0.266 0.000 0.906 125 N CB 0.813 39.116 38.487 -0.307 0.000 1.060 125 N HN 0.272 nan 8.380 nan 0.000 0.468 126 V N 4.241 123.851 119.914 -0.508 0.000 2.325 126 V HA 0.192 4.312 4.120 -0.000 0.000 0.280 126 V C -0.919 174.912 176.094 -0.438 0.000 1.016 126 V CA -0.732 61.316 62.300 -0.420 0.000 0.818 126 V CB -0.085 31.530 31.823 -0.347 0.000 1.019 126 V HN 0.434 nan 8.190 nan 0.000 0.434 127 Y N 5.263 125.552 120.300 -0.019 0.000 2.452 127 Y HA 0.585 5.135 4.550 -0.000 0.000 0.348 127 Y C 0.173 176.144 175.900 0.119 0.000 0.985 127 Y CA -0.421 57.719 58.100 0.067 0.000 1.214 127 Y CB 0.916 39.400 38.460 0.039 0.000 1.136 127 Y HN 0.528 nan 8.280 nan 0.000 0.523 128 I N 3.140 123.722 120.570 0.021 0.000 2.608 128 I HA 0.270 4.440 4.170 -0.000 0.000 0.295 128 I C -0.631 175.045 176.117 -0.735 0.000 1.049 128 I CA -0.899 60.191 61.300 -0.350 0.000 1.063 128 I CB 1.398 38.867 38.000 -0.886 0.000 1.248 128 I HN 0.542 nan 8.210 nan 0.000 0.424 129 D N 5.004 124.940 120.400 -0.774 0.000 2.424 129 D HA -0.014 4.625 4.640 -0.000 0.000 0.244 129 D C 0.940 177.124 176.300 -0.194 0.000 1.134 129 D CA 0.298 53.761 54.000 -0.895 0.000 0.881 129 D CB 0.894 41.558 40.800 -0.227 0.000 1.191 129 D HN 0.429 nan 8.370 nan 0.000 0.445 130 F N 2.517 122.389 119.950 -0.130 0.000 2.085 130 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 130 F C 1.855 177.592 175.800 -0.104 0.000 1.096 130 F CA 1.363 59.360 58.000 -0.005 0.000 1.227 130 F CB -0.371 38.478 39.000 -0.251 0.000 0.983 130 F HN 0.445 nan 8.300 nan 0.000 0.482 131 F N -0.368 119.668 119.950 0.142 0.000 2.797 131 F HA 0.318 4.845 4.527 -0.000 0.000 0.302 131 F C 1.450 177.462 175.800 0.354 0.000 1.130 131 F CA -0.054 57.942 58.000 -0.006 0.000 1.387 131 F CB -1.058 37.567 39.000 -0.624 0.000 1.107 131 F HN -0.164 nan 8.300 nan 0.000 0.577 132 A N 0.098 123.296 122.820 0.630 0.000 2.555 132 A HA -0.104 4.216 4.320 -0.000 0.000 0.233 132 A C 0.538 178.448 177.584 0.543 0.000 1.060 132 A CA -0.180 52.217 52.037 0.599 0.000 0.759 132 A CB -0.288 18.865 19.000 0.254 0.000 0.995 132 A HN 0.419 nan 8.150 nan 0.000 0.506 133 H N 1.667 120.928 119.070 0.318 0.000 2.948 133 H HA -0.009 4.546 4.556 -0.000 0.000 0.351 133 H C 1.307 176.818 175.328 0.304 0.000 1.079 133 H CA 0.608 56.825 56.048 0.282 0.000 1.407 133 H CB 0.483 30.366 29.762 0.202 0.000 1.373 133 H HN 0.761 nan 8.280 nan 0.000 0.605 134 M N 3.510 122.948 119.600 -0.271 0.000 2.108 134 M HA -0.254 4.226 4.480 -0.000 0.000 0.257 134 M C 2.576 178.733 176.300 -0.238 0.000 1.071 134 M CA 2.270 57.502 55.300 -0.112 0.000 1.093 134 M CB -0.809 31.772 32.600 -0.031 0.000 1.345 134 M HN 0.709 nan 8.290 nan 0.000 0.403 135 S N -0.626 114.827 115.700 -0.411 0.000 2.402 135 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 135 S C 1.922 176.199 174.600 -0.539 0.000 1.030 135 S CA 1.676 59.324 58.200 -0.921 0.000 1.003 135 S CB -1.116 61.811 63.200 -0.454 0.000 0.813 135 S HN 0.627 nan 8.310 nan 0.000 0.477 136 L N -1.051 120.046 121.223 -0.209 0.000 2.068 136 L HA 0.080 4.420 4.340 -0.000 0.000 0.204 136 L C 2.702 179.384 176.870 -0.314 0.000 1.076 136 L CA 1.220 55.913 54.840 -0.245 0.000 0.753 136 L CB -0.706 41.243 42.059 -0.183 0.000 0.910 136 L HN 0.312 nan 8.230 nan 0.000 0.439 137 W N 0.808 121.951 121.300 -0.261 0.000 2.301 137 W HA -0.239 4.421 4.660 -0.000 0.000 0.325 137 W C 2.729 179.029 176.519 -0.366 0.000 1.250 137 W CA 1.214 58.401 57.345 -0.263 0.000 1.261 137 W CB -0.389 28.950 29.460 -0.202 0.000 1.157 137 W HN 0.077 nan 8.180 nan 0.000 0.473 138 E N -0.364 119.683 120.200 -0.255 0.000 2.110 138 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 138 E C 2.385 178.376 176.600 -1.015 0.000 0.988 138 E CA 1.418 57.414 56.400 -0.673 0.000 0.804 138 E CB -1.130 28.177 29.700 -0.656 0.000 0.745 138 E HN 0.392 nan 8.360 nan 0.000 0.458 139 G N 1.781 110.166 108.800 -0.692 0.000 2.553 139 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 139 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 139 G C 1.781 176.481 174.900 -0.333 0.000 1.195 139 G CA 1.907 46.729 45.100 -0.463 0.000 0.779 139 G HN 0.412 nan 8.290 nan 0.000 0.577 140 A N 0.495 123.130 122.820 -0.309 0.000 1.908 140 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 140 A C 2.362 179.839 177.584 -0.178 0.000 1.181 140 A CA 2.081 53.974 52.037 -0.240 0.000 0.627 140 A CB -0.503 18.327 19.000 -0.284 0.000 0.818 140 A HN 0.417 nan 8.150 nan 0.000 0.445 141 R N -1.787 118.600 120.500 -0.189 0.000 2.092 141 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 141 R C 1.773 178.110 176.300 0.061 0.000 1.119 141 R CA 1.695 57.752 56.100 -0.072 0.000 0.970 141 R CB -0.396 29.880 30.300 -0.040 0.000 0.864 141 R HN 0.548 nan 8.270 nan 0.000 0.440 142 Y N -0.185 120.097 120.300 -0.031 0.000 2.333 142 Y HA 0.027 4.577 4.550 -0.000 0.000 0.290 142 Y C 2.070 177.929 175.900 -0.068 0.000 1.144 142 Y CA 0.515 58.597 58.100 -0.030 0.000 1.228 142 Y CB -0.580 37.869 38.460 -0.018 0.000 0.985 142 Y HN 0.197 nan 8.280 nan 0.000 0.542 143 A N -0.444 122.402 122.820 0.044 0.000 2.275 143 A HA 0.100 4.420 4.320 -0.000 0.000 0.212 143 A C 0.808 178.369 177.584 -0.038 0.000 1.201 143 A CA 0.163 52.181 52.037 -0.031 0.000 0.843 143 A CB -0.579 18.373 19.000 -0.081 0.000 0.873 143 A HN 0.492 nan 8.150 nan 0.000 0.492 144 N N -1.223 117.465 118.700 -0.019 0.000 2.714 144 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 144 N C 0.390 175.861 175.510 -0.065 0.000 1.117 144 N CA 0.779 53.812 53.050 -0.029 0.000 0.719 144 N CB -1.615 36.863 38.487 -0.014 0.000 1.081 144 N HN 0.747 nan 8.380 nan 0.000 0.557 145 A N 0.331 123.091 122.820 -0.100 0.000 2.366 145 A HA 0.280 4.600 4.320 -0.000 0.000 0.249 145 A C 0.723 178.192 177.584 -0.191 0.000 1.084 145 A CA -0.029 51.923 52.037 -0.142 0.000 0.794 145 A CB 0.411 19.307 19.000 -0.174 0.000 1.034 145 A HN 0.256 nan 8.150 nan 0.000 0.491 146 Q N 0.400 120.057 119.800 -0.237 0.000 2.344 146 Q HA 0.487 4.827 4.340 -0.000 0.000 0.253 146 Q C -0.180 175.417 176.000 -0.672 0.000 1.050 146 Q CA 0.381 55.948 55.803 -0.393 0.000 0.912 146 Q CB 0.615 29.183 28.738 -0.283 0.000 1.258 146 Q HN 0.823 nan 8.270 nan 0.000 0.443 147 A N 5.128 127.578 122.820 -0.616 0.000 2.276 147 A HA 0.391 4.711 4.320 -0.000 0.000 0.300 147 A C -1.106 176.049 177.584 -0.716 0.000 1.235 147 A CA -0.520 51.166 52.037 -0.585 0.000 0.867 147 A CB 0.381 19.183 19.000 -0.331 0.000 1.137 147 A HN 0.774 nan 8.150 nan 0.000 0.527 148 H N 4.103 122.976 119.070 -0.328 0.000 2.792 148 H HA 0.296 4.852 4.556 -0.000 0.000 0.298 148 H C -2.723 172.518 175.328 -0.146 0.000 1.042 148 H CA -1.918 54.007 56.048 -0.205 0.000 1.300 148 H CB 1.197 30.846 29.762 -0.189 0.000 1.431 148 H HN 0.479 nan 8.280 nan 0.000 0.496 149 P HA 0.065 nan 4.420 nan 0.000 0.276 149 P C -0.302 176.736 177.300 -0.436 0.000 1.253 149 P CA -0.268 62.589 63.100 -0.405 0.000 0.766 149 P CB 0.102 31.427 31.700 -0.625 0.000 0.845 150 F N 1.362 121.025 119.950 -0.478 0.000 2.425 150 F HA 0.589 5.116 4.527 -0.000 0.000 0.331 150 F C 0.458 176.149 175.800 -0.181 0.000 1.085 150 F CA -1.816 55.789 58.000 -0.658 0.000 1.028 150 F CB 0.555 39.279 39.000 -0.460 0.000 1.177 150 F HN 0.091 nan 8.300 nan 0.000 0.487 151 M N 2.491 122.211 119.600 0.200 0.000 2.252 151 M HA -0.018 4.462 4.480 -0.000 0.000 0.321 151 M C -0.014 176.544 176.300 0.429 0.000 1.070 151 M CA 0.104 55.736 55.300 0.554 0.000 1.143 151 M CB 0.068 33.011 32.600 0.571 0.000 1.498 151 M HN 0.784 nan 8.290 nan 0.000 0.445 152 H N 4.655 123.924 119.070 0.332 0.000 3.145 152 H HA -0.038 4.518 4.556 -0.000 0.000 0.288 152 H C 0.207 175.623 175.328 0.147 0.000 0.969 152 H CA 1.144 57.309 56.048 0.196 0.000 1.444 152 H CB -0.121 29.757 29.762 0.194 0.000 1.500 152 H HN 0.627 nan 8.280 nan 0.000 0.552 153 N N 2.416 121.047 118.700 -0.116 0.000 2.753 153 N HA -0.297 4.443 4.740 -0.000 0.000 0.251 153 N C -0.708 174.870 175.510 0.113 0.000 1.097 153 N CA 0.912 53.926 53.050 -0.060 0.000 0.786 153 N CB -1.188 37.086 38.487 -0.356 0.000 1.137 153 N HN 0.704 nan 8.380 nan 0.000 0.566 154 N N 0.688 119.548 118.700 0.268 0.000 2.437 154 N HA 0.169 4.909 4.740 -0.000 0.000 0.243 154 N C 1.031 176.628 175.510 0.146 0.000 1.041 154 N CA -0.311 52.874 53.050 0.226 0.000 0.940 154 N CB 0.421 39.094 38.487 0.310 0.000 1.133 154 N HN 0.133 nan 8.380 nan 0.000 0.506 155 C N 1.955 121.282 119.300 0.045 0.000 2.440 155 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 155 C C 1.985 176.951 174.990 -0.041 0.000 1.295 155 C CA 0.143 59.129 59.018 -0.053 0.000 1.738 155 C CB -0.335 27.388 27.740 -0.028 0.000 1.987 155 C HN 0.674 nan 8.230 nan 0.000 0.492 156 D N -0.194 120.224 120.400 0.029 0.000 2.104 156 D HA -0.172 4.467 4.640 -0.000 0.000 0.194 156 D C 1.716 178.054 176.300 0.063 0.000 0.994 156 D CA 1.608 55.629 54.000 0.035 0.000 0.830 156 D CB -0.748 40.080 40.800 0.047 0.000 0.959 156 D HN 0.707 nan 8.370 nan 0.000 0.452 157 H N 0.123 119.201 119.070 0.012 0.000 2.290 157 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 157 H C 2.285 177.575 175.328 -0.063 0.000 1.087 157 H CA 1.062 57.136 56.048 0.044 0.000 1.291 157 H CB -0.091 29.778 29.762 0.178 0.000 1.369 157 H HN -0.007 nan 8.280 nan 0.000 0.492 158 L N 1.425 122.601 121.223 -0.077 0.000 2.021 158 L HA -0.227 4.112 4.340 -0.000 0.000 0.215 158 L C 2.396 178.994 176.870 -0.454 0.000 1.074 158 L CA 1.681 56.233 54.840 -0.481 0.000 0.760 158 L CB -0.700 40.778 42.059 -0.968 0.000 0.889 158 L HN 0.231 nan 8.230 nan 0.000 0.433 159 R N -1.363 118.939 120.500 -0.330 0.000 2.094 159 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 159 R C 2.175 178.267 176.300 -0.347 0.000 1.137 159 R CA 2.039 57.914 56.100 -0.375 0.000 0.943 159 R CB -0.489 29.748 30.300 -0.105 0.000 0.850 159 R HN 0.391 nan 8.270 nan 0.000 0.433 160 M N 0.694 120.208 119.600 -0.144 0.000 2.073 160 M HA -0.189 4.291 4.480 -0.000 0.000 0.258 160 M C 2.460 178.692 176.300 -0.114 0.000 1.070 160 M CA 1.708 56.956 55.300 -0.086 0.000 1.103 160 M CB -1.261 31.329 32.600 -0.016 0.000 1.321 160 M HN 0.165 nan 8.290 nan 0.000 0.405 161 L N -0.191 120.996 121.223 -0.059 0.000 2.013 161 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 161 L C 2.515 179.288 176.870 -0.162 0.000 1.073 161 L CA 1.420 56.273 54.840 0.022 0.000 0.753 161 L CB -0.805 41.320 42.059 0.110 0.000 0.890 161 L HN 0.260 nan 8.230 nan 0.000 0.432 162 I N -0.875 119.299 120.570 -0.660 0.000 2.226 162 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 162 I C 2.647 178.530 176.117 -0.391 0.000 1.100 162 I CA 1.196 62.023 61.300 -0.788 0.000 1.374 162 I CB -0.401 36.865 38.000 -1.223 0.000 1.057 162 I HN 0.315 nan 8.210 nan 0.000 0.413 163 Q N 0.385 119.957 119.800 -0.381 0.000 2.112 163 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 163 Q C 2.378 178.325 176.000 -0.088 0.000 0.987 163 Q CA 1.802 57.549 55.803 -0.094 0.000 0.858 163 Q CB -0.146 28.575 28.738 -0.029 0.000 0.905 163 Q HN 0.384 nan 8.270 nan 0.000 0.420 164 R N -0.551 119.858 120.500 -0.152 0.000 2.055 164 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 164 R C 1.722 177.816 176.300 -0.342 0.000 1.143 164 R CA 1.470 57.396 56.100 -0.289 0.000 0.945 164 R CB 0.029 30.066 30.300 -0.437 0.000 0.841 164 R HN 0.433 nan 8.270 nan 0.000 0.429 165 H N -0.979 118.062 119.070 -0.049 0.000 2.575 165 H HA 0.256 4.811 4.556 -0.000 0.000 0.267 165 H C 0.939 176.301 175.328 0.056 0.000 0.966 165 H CA 0.570 56.603 56.048 -0.025 0.000 1.165 165 H CB 0.930 30.578 29.762 -0.190 0.000 1.433 165 H HN 0.518 nan 8.280 nan 0.000 0.544 166 G N 1.500 110.393 108.800 0.156 0.000 2.582 166 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.222 166 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.222 166 G C -2.857 172.163 174.900 0.201 0.000 1.311 166 G CA -1.133 44.054 45.100 0.143 0.000 0.915 166 G HN 0.030 nan 8.290 nan 0.000 0.528 167 P HA 0.537 nan 4.420 nan 0.000 0.271 167 P C 0.538 177.958 177.300 0.201 0.000 1.216 167 P CA 1.018 64.220 63.100 0.170 0.000 0.776 167 P CB 1.287 33.054 31.700 0.113 0.000 0.881 168 G N 1.434 110.390 108.800 0.259 0.000 2.682 168 G HA2 0.572 4.531 3.960 -0.000 0.000 0.303 168 G HA3 0.572 4.531 3.960 -0.000 0.000 0.303 168 G C -1.565 173.422 174.900 0.145 0.000 1.341 168 G CA -0.787 44.413 45.100 0.167 0.000 0.784 168 G HN 0.366 nan 8.290 nan 0.000 0.497 169 I N 0.971 121.572 120.570 0.051 0.000 2.315 169 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 169 I C -0.151 176.039 176.117 0.122 0.000 1.006 169 I CA -0.360 60.979 61.300 0.065 0.000 1.265 169 I CB 1.386 39.392 38.000 0.010 0.000 1.387 169 I HN 0.163 nan 8.210 nan 0.000 0.475 170 I N 6.995 127.661 120.570 0.160 0.000 2.371 170 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 170 I C -0.392 175.820 176.117 0.157 0.000 1.028 170 I CA -0.501 60.912 61.300 0.188 0.000 1.345 170 I CB 1.061 39.136 38.000 0.127 0.000 1.407 170 I HN 0.215 nan 8.210 nan 0.000 0.501 171 V N 7.436 127.443 119.914 0.155 0.000 2.487 171 V HA 0.567 4.687 4.120 -0.000 0.000 0.298 171 V C -0.162 176.005 176.094 0.122 0.000 1.028 171 V CA -0.550 61.793 62.300 0.072 0.000 0.860 171 V CB 2.035 33.810 31.823 -0.081 0.000 0.991 171 V HN 0.574 nan 8.190 nan 0.000 0.427 172 V N 0.814 120.804 119.914 0.126 0.000 3.114 172 V HA 0.736 4.856 4.120 -0.000 0.000 0.308 172 V C -1.045 175.046 176.094 -0.004 0.000 1.168 172 V CA -0.958 61.440 62.300 0.163 0.000 1.015 172 V CB 2.397 34.377 31.823 0.263 0.000 1.050 172 V HN 0.613 nan 8.190 nan 0.000 0.433 173 D N 1.842 122.092 120.400 -0.250 0.000 2.304 173 D HA 0.398 5.038 4.640 -0.000 0.000 0.247 173 D C 1.334 177.367 176.300 -0.446 0.000 1.089 173 D CA 0.579 54.283 54.000 -0.493 0.000 0.910 173 D CB 2.034 42.272 40.800 -0.937 0.000 1.199 173 D HN 0.895 nan 8.370 nan 0.000 0.426 174 S N 1.653 117.213 115.700 -0.233 0.000 2.345 174 S HA -0.027 4.443 4.470 -0.000 0.000 0.219 174 S C 0.984 175.478 174.600 -0.176 0.000 1.031 174 S CA 0.473 58.585 58.200 -0.147 0.000 0.984 174 S CB -0.034 63.106 63.200 -0.099 0.000 0.874 174 S HN 0.471 nan 8.310 nan 0.000 0.451 175 I N 1.437 121.892 120.570 -0.191 0.000 2.378 175 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 175 I C -1.099 174.904 176.117 -0.190 0.000 0.992 175 I CA -0.931 60.288 61.300 -0.135 0.000 1.154 175 I CB 1.337 39.261 38.000 -0.127 0.000 1.315 175 I HN 0.161 nan 8.210 nan 0.000 0.448 176 Y N 3.766 124.064 120.300 -0.003 0.000 2.359 176 Y HA -0.016 4.533 4.550 -0.000 0.000 0.330 176 Y C 1.834 177.627 175.900 -0.178 0.000 1.143 176 Y CA 0.222 58.317 58.100 -0.008 0.000 1.318 176 Y CB 1.302 39.801 38.460 0.065 0.000 1.234 176 Y HN 0.691 nan 8.280 nan 0.000 0.522 177 S N -0.568 115.096 115.700 -0.060 0.000 2.423 177 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 177 S C 1.587 176.026 174.600 -0.268 0.000 1.014 177 S CA 1.441 59.455 58.200 -0.310 0.000 0.965 177 S CB -0.594 62.628 63.200 0.037 0.000 0.785 177 S HN 0.842 nan 8.310 nan 0.000 0.495 178 T N -1.437 113.012 114.554 -0.175 0.000 3.015 178 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 178 T C 1.476 176.044 174.700 -0.220 0.000 1.057 178 T CA -0.031 61.865 62.100 -0.339 0.000 1.066 178 T CB -0.216 68.512 68.868 -0.233 0.000 0.959 178 T HN 0.373 nan 8.240 nan 0.000 0.488 179 L N -0.076 121.059 121.223 -0.145 0.000 2.717 179 L HA 0.477 4.816 4.340 -0.000 0.000 0.239 179 L C 2.121 178.947 176.870 -0.074 0.000 1.086 179 L CA 0.368 55.120 54.840 -0.147 0.000 0.897 179 L CB 0.096 41.987 42.059 -0.280 0.000 1.214 179 L HN 0.502 nan 8.230 nan 0.000 0.508 180 G N 1.098 109.874 108.800 -0.040 0.000 2.184 180 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 180 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 180 G C 0.556 175.476 174.900 0.033 0.000 0.975 180 G CA 0.623 45.707 45.100 -0.027 0.000 0.642 180 G HN 0.403 nan 8.290 nan 0.000 0.536 181 T N -0.862 113.750 114.554 0.097 0.000 2.734 181 T HA 0.550 4.900 4.350 -0.000 0.000 0.314 181 T C 0.513 175.335 174.700 0.202 0.000 1.057 181 T CA 0.109 62.294 62.100 0.140 0.000 1.047 181 T CB 1.581 70.575 68.868 0.210 0.000 0.991 181 T HN 0.605 nan 8.240 nan 0.000 0.540 182 I N 0.979 121.634 120.570 0.141 0.000 2.436 182 I HA 0.511 4.680 4.170 -0.000 0.000 0.289 182 I C 0.626 176.824 176.117 0.135 0.000 1.010 182 I CA -1.407 59.960 61.300 0.111 0.000 1.098 182 I CB 1.674 39.700 38.000 0.042 0.000 1.266 182 I HN 0.932 nan 8.210 nan 0.000 0.434 183 A N 8.180 131.109 122.820 0.183 0.000 2.425 183 A HA 0.369 4.689 4.320 -0.000 0.000 0.242 183 A C -2.082 175.561 177.584 0.098 0.000 1.077 183 A CA -0.922 51.230 52.037 0.192 0.000 0.781 183 A CB -0.388 18.756 19.000 0.241 0.000 1.020 183 A HN 0.539 nan 8.150 nan 0.000 0.494 184 P HA 0.158 nan 4.420 nan 0.000 0.230 184 P C 0.667 177.998 177.300 0.053 0.000 1.791 184 P CA -0.075 63.057 63.100 0.053 0.000 1.020 184 P CB -0.015 31.710 31.700 0.042 0.000 1.977 185 L N 1.305 122.559 121.223 0.051 0.000 2.013 185 L HA -0.270 4.069 4.340 -0.000 0.000 0.212 185 L C 2.651 179.539 176.870 0.029 0.000 1.073 185 L CA 2.099 56.966 54.840 0.044 0.000 0.753 185 L CB -1.198 40.881 42.059 0.032 0.000 0.890 185 L HN 0.160 nan 8.230 nan 0.000 0.432 186 A N -0.299 122.531 122.820 0.018 0.000 1.873 186 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 186 A C 2.268 179.858 177.584 0.010 0.000 1.193 186 A CA 2.155 54.196 52.037 0.008 0.000 0.629 186 A CB -0.662 18.340 19.000 0.003 0.000 0.826 186 A HN 0.474 nan 8.150 nan 0.000 0.447 187 E N -0.555 119.654 120.200 0.014 0.000 2.110 187 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 187 E C 1.938 178.545 176.600 0.012 0.000 0.988 187 E CA 1.028 57.435 56.400 0.012 0.000 0.804 187 E CB -0.190 29.517 29.700 0.012 0.000 0.745 187 E HN 0.649 nan 8.360 nan 0.000 0.458 188 L N -0.145 121.089 121.223 0.019 0.000 2.093 188 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 188 L C 2.363 179.253 176.870 0.032 0.000 1.085 188 L CA 0.445 55.296 54.840 0.018 0.000 0.755 188 L CB -0.190 41.897 42.059 0.047 0.000 0.904 188 L HN 0.075 nan 8.230 nan 0.000 0.435 189 V N 0.260 120.194 119.914 0.033 0.000 2.343 189 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 189 V C 2.238 178.349 176.094 0.028 0.000 1.051 189 V CA 1.753 64.071 62.300 0.031 0.000 1.036 189 V CB -0.717 31.110 31.823 0.006 0.000 0.654 189 V HN 0.514 nan 8.190 nan 0.000 0.451 190 N N 0.689 119.399 118.700 0.018 0.000 2.025 190 N HA -0.164 4.576 4.740 -0.000 0.000 0.194 190 N C 1.817 177.353 175.510 0.042 0.000 1.044 190 N CA 2.004 55.063 53.050 0.015 0.000 0.851 190 N CB -0.500 37.992 38.487 0.009 0.000 1.036 190 N HN 0.437 nan 8.380 nan 0.000 0.422 191 I N 0.824 121.431 120.570 0.063 0.000 2.163 191 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 191 I C 2.608 178.828 176.117 0.172 0.000 1.085 191 I CA 1.012 62.398 61.300 0.143 0.000 1.347 191 I CB -0.504 37.526 38.000 0.049 0.000 1.044 191 I HN 0.122 nan 8.210 nan 0.000 0.408 192 S N 1.087 116.845 115.700 0.097 0.000 2.381 192 S HA -0.288 4.182 4.470 -0.000 0.000 0.230 192 S C 2.052 176.723 174.600 0.118 0.000 1.052 192 S CA 1.894 60.162 58.200 0.113 0.000 1.068 192 S CB -0.199 63.077 63.200 0.126 0.000 0.918 192 S HN 0.400 nan 8.310 nan 0.000 0.448 193 K N 0.263 120.710 120.400 0.077 0.000 2.167 193 K HA 0.036 4.356 4.320 -0.000 0.000 0.203 193 K C 2.285 178.879 176.600 -0.009 0.000 1.052 193 K CA 1.048 57.357 56.287 0.035 0.000 0.956 193 K CB -0.212 32.291 32.500 0.004 0.000 0.735 193 K HN 0.545 nan 8.250 nan 0.000 0.451 194 E N -0.311 119.873 120.200 -0.028 0.000 2.338 194 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 194 E C 0.250 176.542 176.600 -0.513 0.000 1.007 194 E CA 0.869 57.120 56.400 -0.249 0.000 0.849 194 E CB 0.257 29.807 29.700 -0.249 0.000 0.774 194 E HN 0.236 nan 8.360 nan 0.000 0.506 195 F N -1.604 118.324 119.950 -0.037 0.000 2.899 195 F HA 0.289 4.816 4.527 -0.000 0.000 0.337 195 F C 0.903 176.692 175.800 -0.017 0.000 1.129 195 F CA 0.162 58.139 58.000 -0.039 0.000 1.128 195 F CB 1.619 40.575 39.000 -0.075 0.000 1.154 195 F HN 0.023 nan 8.300 nan 0.000 0.531 196 G N 1.289 110.165 108.800 0.127 0.000 2.273 196 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.280 196 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.280 196 G C 0.110 175.061 174.900 0.084 0.000 1.047 196 G CA 0.226 45.379 45.100 0.088 0.000 0.869 196 G HN 0.369 nan 8.290 nan 0.000 0.502 197 C N -0.487 118.868 119.300 0.092 0.000 2.365 197 C HA 0.953 5.413 4.460 -0.000 0.000 0.374 197 C C 1.109 176.054 174.990 -0.075 0.000 1.318 197 C CA 0.157 59.206 59.018 0.050 0.000 2.239 197 C CB 1.284 29.072 27.740 0.081 0.000 2.144 197 C HN 1.230 nan 8.230 nan 0.000 0.581 198 A N 0.331 123.059 122.820 -0.153 0.000 2.330 198 A HA 0.826 5.146 4.320 -0.000 0.000 0.329 198 A C -1.305 176.232 177.584 -0.078 0.000 1.135 198 A CA -0.316 51.432 52.037 -0.481 0.000 0.817 198 A CB 0.909 19.660 19.000 -0.416 0.000 1.269 198 A HN 0.733 nan 8.150 nan 0.000 0.469 199 L N 1.318 122.598 121.223 0.094 0.000 2.362 199 L HA 0.692 5.031 4.340 -0.000 0.000 0.275 199 L C -1.178 175.872 176.870 0.300 0.000 0.998 199 L CA -0.514 54.467 54.840 0.234 0.000 0.820 199 L CB 1.490 43.706 42.059 0.261 0.000 1.270 199 L HN 0.693 nan 8.230 nan 0.000 0.415 200 L N 6.039 127.417 121.223 0.258 0.000 2.372 200 L HA 0.722 5.062 4.340 -0.000 0.000 0.274 200 L C -1.583 175.381 176.870 0.158 0.000 0.988 200 L CA -0.551 54.449 54.840 0.266 0.000 0.833 200 L CB 1.822 44.006 42.059 0.209 0.000 1.236 200 L HN 0.443 nan 8.230 nan 0.000 0.410 201 V N 3.555 123.552 119.914 0.137 0.000 2.448 201 V HA 0.319 4.438 4.120 -0.000 0.000 0.295 201 V C -0.502 175.609 176.094 0.028 0.000 1.025 201 V CA -0.664 61.678 62.300 0.071 0.000 0.859 201 V CB 1.775 33.637 31.823 0.065 0.000 0.988 201 V HN 0.641 nan 8.190 nan 0.000 0.431 202 D N 3.598 123.998 120.400 -0.001 0.000 2.347 202 D HA 0.187 4.827 4.640 -0.000 0.000 0.235 202 D C 0.570 176.851 176.300 -0.032 0.000 1.149 202 D CA -0.128 53.865 54.000 -0.012 0.000 0.850 202 D CB 1.270 42.061 40.800 -0.015 0.000 1.061 202 D HN 0.632 nan 8.370 nan 0.000 0.487 203 E N 1.935 122.116 120.200 -0.032 0.000 2.394 203 E HA 0.037 4.386 4.350 -0.000 0.000 0.191 203 E C 1.233 177.831 176.600 -0.002 0.000 1.044 203 E CA -0.108 56.267 56.400 -0.041 0.000 0.939 203 E CB 0.372 30.018 29.700 -0.090 0.000 1.089 203 E HN 0.365 nan 8.360 nan 0.000 0.456 204 S N 0.391 116.089 115.700 -0.003 0.000 2.423 204 S HA -0.183 4.287 4.470 -0.000 0.000 0.238 204 S C 1.057 175.565 174.600 -0.153 0.000 1.028 204 S CA 1.395 59.545 58.200 -0.083 0.000 1.000 204 S CB -0.148 62.952 63.200 -0.167 0.000 0.797 204 S HN 0.484 nan 8.310 nan 0.000 0.487 205 H N -0.897 118.227 119.070 0.090 0.000 2.672 205 H HA 0.288 4.844 4.556 -0.000 0.000 0.277 205 H C 1.722 177.055 175.328 0.009 0.000 1.074 205 H CA 0.537 56.675 56.048 0.151 0.000 1.173 205 H CB 0.524 30.343 29.762 0.095 0.000 1.558 205 H HN 0.384 nan 8.280 nan 0.000 0.539 206 S N -0.502 115.224 115.700 0.043 0.000 2.554 206 S HA 0.086 4.556 4.470 -0.000 0.000 0.227 206 S C 0.572 175.245 174.600 0.122 0.000 1.050 206 S CA -0.476 57.670 58.200 -0.090 0.000 0.927 206 S CB 0.116 63.170 63.200 -0.242 0.000 0.859 206 S HN 0.125 nan 8.310 nan 0.000 0.494 207 L N 3.164 124.470 121.223 0.139 0.000 2.418 207 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 207 L C 1.168 178.263 176.870 0.375 0.000 1.135 207 L CA 1.602 56.569 54.840 0.211 0.000 0.870 207 L CB 0.100 42.255 42.059 0.161 0.000 1.154 207 L HN 0.550 nan 8.230 nan 0.000 0.462 208 G N 2.246 111.278 108.800 0.386 0.000 2.336 208 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.233 208 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.233 208 G C 0.852 175.884 174.900 0.220 0.000 1.053 208 G CA 0.660 45.944 45.100 0.307 0.000 0.625 208 G HN 0.887 nan 8.290 nan 0.000 0.511 209 T N -2.113 112.605 114.554 0.274 0.000 3.065 209 T HA 0.463 4.813 4.350 -0.000 0.000 0.252 209 T C 0.745 175.494 174.700 0.080 0.000 1.099 209 T CA 1.316 63.543 62.100 0.212 0.000 1.063 209 T CB 0.251 69.280 68.868 0.269 0.000 0.948 209 T HN 0.637 nan 8.240 nan 0.000 0.506 210 H N -0.179 118.925 119.070 0.057 0.000 2.865 210 H HA 0.662 5.218 4.556 -0.000 0.000 0.372 210 H C 0.621 175.955 175.328 0.009 0.000 1.173 210 H CA -0.031 56.031 56.048 0.024 0.000 1.147 210 H CB 1.481 31.248 29.762 0.009 0.000 1.805 210 H HN 0.481 nan 8.280 nan 0.000 0.553 211 G N 0.948 109.803 108.800 0.093 0.000 2.795 211 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.664 211 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.664 211 G C -2.676 172.229 174.900 0.007 0.000 1.381 211 G CA -0.966 44.148 45.100 0.024 0.000 0.853 211 G HN 0.629 nan 8.290 nan 0.000 0.545 212 P HA 0.168 nan 4.420 nan 0.000 0.267 212 P C 0.394 177.714 177.300 0.034 0.000 1.209 212 P CA 0.462 63.562 63.100 0.001 0.000 0.763 212 P CB 0.238 31.928 31.700 -0.017 0.000 0.816 213 N N 2.592 121.344 118.700 0.086 0.000 2.713 213 N HA -0.223 4.516 4.740 -0.000 0.000 0.251 213 N C 0.964 176.644 175.510 0.284 0.000 1.117 213 N CA 1.807 54.964 53.050 0.179 0.000 0.770 213 N CB -1.972 36.670 38.487 0.258 0.000 1.137 213 N HN 0.883 nan 8.380 nan 0.000 0.566 214 G N -1.120 107.788 108.800 0.179 0.000 2.160 214 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 214 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 214 G C 0.910 175.944 174.900 0.223 0.000 1.022 214 G CA 0.820 46.060 45.100 0.234 0.000 0.741 214 G HN 1.088 nan 8.290 nan 0.000 0.508 215 A N -0.541 122.169 122.820 -0.183 0.000 2.248 215 A HA 0.573 4.893 4.320 -0.000 0.000 0.210 215 A C 2.192 179.563 177.584 -0.354 0.000 1.174 215 A CA 1.893 53.468 52.037 -0.770 0.000 0.750 215 A CB -0.359 18.174 19.000 -0.777 0.000 0.780 215 A HN 2.713 nan 8.150 nan 0.000 0.478 216 G N -2.459 106.283 108.800 -0.097 0.000 2.603 216 G HA2 0.007 3.967 3.960 -0.000 0.000 0.686 216 G HA3 0.007 3.967 3.960 -0.000 0.000 0.686 216 G C 0.125 175.012 174.900 -0.021 0.000 1.286 216 G CA -0.249 44.831 45.100 -0.033 0.000 0.871 216 G HN 0.615 nan 8.290 nan 0.000 0.568 217 L N 0.210 121.420 121.223 -0.020 0.000 2.093 217 L HA 0.228 4.568 4.340 -0.000 0.000 0.208 217 L C 2.921 179.777 176.870 -0.022 0.000 1.085 217 L CA 2.037 56.869 54.840 -0.013 0.000 0.755 217 L CB -0.864 41.155 42.059 -0.066 0.000 0.904 217 L HN 0.608 nan 8.230 nan 0.000 0.435 218 L N -1.251 119.952 121.223 -0.033 0.000 2.046 218 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 218 L C 2.593 179.433 176.870 -0.050 0.000 1.077 218 L CA 1.194 56.020 54.840 -0.023 0.000 0.747 218 L CB -0.769 41.305 42.059 0.024 0.000 0.896 218 L HN 0.308 nan 8.230 nan 0.000 0.432 219 A N -0.377 122.397 122.820 -0.076 0.000 1.902 219 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 219 A C 2.231 179.774 177.584 -0.067 0.000 1.181 219 A CA 1.816 53.793 52.037 -0.100 0.000 0.623 219 A CB -0.532 18.373 19.000 -0.160 0.000 0.818 219 A HN 0.454 nan 8.150 nan 0.000 0.443 220 E N -0.219 119.956 120.200 -0.040 0.000 2.070 220 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 220 E C 1.440 178.030 176.600 -0.017 0.000 1.004 220 E CA 1.382 57.773 56.400 -0.015 0.000 0.805 220 E CB -0.182 29.531 29.700 0.021 0.000 0.744 220 E HN 0.644 nan 8.360 nan 0.000 0.451 221 L N -0.526 120.686 121.223 -0.018 0.000 2.591 221 L HA 0.228 4.568 4.340 -0.000 0.000 0.228 221 L C 1.196 178.046 176.870 -0.033 0.000 1.133 221 L CA 0.226 55.055 54.840 -0.019 0.000 0.880 221 L CB 0.140 42.193 42.059 -0.010 0.000 1.033 221 L HN 0.300 nan 8.230 nan 0.000 0.450 222 G N 0.964 109.735 108.800 -0.048 0.000 2.273 222 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 222 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 222 G C 0.551 175.406 174.900 -0.075 0.000 1.047 222 G CA 0.381 45.443 45.100 -0.063 0.000 0.869 222 G HN 0.414 nan 8.290 nan 0.000 0.502 223 L N -0.494 120.683 121.223 -0.076 0.000 2.616 223 L HA 0.103 4.443 4.340 -0.000 0.000 0.229 223 L C 2.724 179.512 176.870 -0.136 0.000 1.110 223 L CA 0.769 55.559 54.840 -0.083 0.000 0.884 223 L CB -0.259 41.772 42.059 -0.046 0.000 1.115 223 L HN 0.254 nan 8.230 nan 0.000 0.481 224 T N 0.165 114.617 114.554 -0.169 0.000 2.624 224 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 224 T C 1.803 176.220 174.700 -0.472 0.000 1.050 224 T CA 1.483 63.392 62.100 -0.319 0.000 1.163 224 T CB -0.212 68.474 68.868 -0.304 0.000 0.861 224 T HN 0.221 nan 8.240 nan 0.000 0.443 225 R N 1.132 121.433 120.500 -0.332 0.000 2.313 225 R HA 0.182 4.522 4.340 -0.000 0.000 0.199 225 R C 1.373 177.492 176.300 -0.303 0.000 0.958 225 R CA 0.438 56.342 56.100 -0.326 0.000 1.047 225 R CB -0.206 29.962 30.300 -0.220 0.000 0.955 225 R HN 0.592 nan 8.270 nan 0.000 0.481 226 E N -0.233 119.801 120.200 -0.277 0.000 2.630 226 E HA 0.150 4.500 4.350 -0.000 0.000 0.218 226 E C -0.607 175.820 176.600 -0.288 0.000 0.977 226 E CA -0.090 56.158 56.400 -0.254 0.000 1.038 226 E CB 1.242 30.848 29.700 -0.156 0.000 1.051 226 E HN -0.141 nan 8.360 nan 0.000 0.487 227 V N 0.913 120.663 119.914 -0.273 0.000 2.547 227 V HA 0.119 4.239 4.120 -0.000 0.000 0.299 227 V C 0.307 176.279 176.094 -0.203 0.000 1.040 227 V CA -0.372 61.851 62.300 -0.129 0.000 0.913 227 V CB 1.433 33.309 31.823 0.089 0.000 0.992 227 V HN 0.225 nan 8.190 nan 0.000 0.449 228 H N 3.185 122.187 119.070 -0.113 0.000 2.431 228 H HA 0.302 4.858 4.556 -0.000 0.000 0.295 228 H C -0.544 174.489 175.328 -0.491 0.000 1.038 228 H CA 1.003 56.776 56.048 -0.459 0.000 1.360 228 H CB 0.111 29.382 29.762 -0.819 0.000 1.433 228 H HN 0.474 nan 8.280 nan 0.000 0.536 229 F N 0.353 120.535 119.950 0.386 0.000 2.581 229 F HA 0.388 4.914 4.527 -0.000 0.000 0.311 229 F C -0.388 175.456 175.800 0.073 0.000 1.113 229 F CA -1.376 56.755 58.000 0.219 0.000 0.935 229 F CB 1.679 40.754 39.000 0.125 0.000 1.232 229 F HN -0.107 nan 8.300 nan 0.000 0.445 230 M N 1.327 120.917 119.600 -0.016 0.000 2.572 230 M HA 0.943 5.423 4.480 -0.000 0.000 0.299 230 M C -0.964 175.389 176.300 0.090 0.000 1.205 230 M CA -0.379 54.867 55.300 -0.089 0.000 0.876 230 M CB 2.729 35.096 32.600 -0.388 0.000 1.728 230 M HN 0.591 nan 8.290 nan 0.000 0.458 231 T N -0.253 114.366 114.554 0.109 0.000 2.896 231 T HA 0.995 5.345 4.350 -0.000 0.000 0.297 231 T C -0.939 173.863 174.700 0.170 0.000 1.108 231 T CA -0.442 61.752 62.100 0.158 0.000 1.004 231 T CB 1.866 70.753 68.868 0.032 0.000 1.159 231 T HN 1.459 nan 8.240 nan 0.000 0.499 232 A N 0.871 123.809 122.820 0.197 0.000 2.589 232 A HA 0.767 5.087 4.320 -0.000 0.000 0.296 232 A C -0.183 177.426 177.584 0.042 0.000 1.062 232 A CA -0.709 51.399 52.037 0.118 0.000 0.686 232 A CB 1.439 20.542 19.000 0.171 0.000 1.282 232 A HN 1.245 nan 8.150 nan 0.000 0.404 233 S N 0.580 116.277 115.700 -0.004 0.000 2.549 233 S HA 0.369 4.839 4.470 -0.000 0.000 0.279 233 S C 0.649 175.250 174.600 0.001 0.000 1.321 233 S CA -0.396 57.797 58.200 -0.012 0.000 1.054 233 S CB -0.175 63.002 63.200 -0.038 0.000 0.899 233 S HN 0.595 nan 8.310 nan 0.000 0.497 234 L N 4.128 125.353 121.223 0.003 0.000 2.611 234 L HA 0.231 4.571 4.340 -0.000 0.000 0.229 234 L C 1.994 178.956 176.870 0.154 0.000 1.137 234 L CA 0.189 55.059 54.840 0.049 0.000 0.901 234 L CB -0.463 41.594 42.059 -0.005 0.000 1.098 234 L HN 0.802 nan 8.230 nan 0.000 0.456 235 A N -0.663 122.198 122.820 0.068 0.000 2.251 235 A HA 0.075 4.395 4.320 -0.000 0.000 0.209 235 A C 1.615 179.197 177.584 -0.003 0.000 1.187 235 A CA 0.313 52.373 52.037 0.037 0.000 0.823 235 A CB -0.031 18.966 19.000 -0.004 0.000 0.846 235 A HN 0.077 nan 8.150 nan 0.000 0.486 236 K N -0.745 119.650 120.400 -0.008 0.000 3.860 236 K HA 0.172 4.491 4.320 -0.000 0.000 0.165 236 K C 1.672 178.240 176.600 -0.053 0.000 1.146 236 K CA 1.037 57.244 56.287 -0.134 0.000 1.673 236 K CB -1.448 30.949 32.500 -0.171 0.000 2.306 236 K HN 0.111 nan 8.250 nan 0.000 0.504 237 T N 1.821 116.423 114.554 0.080 0.000 2.737 237 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 237 T C 1.717 176.465 174.700 0.079 0.000 1.040 237 T CA 1.472 63.653 62.100 0.135 0.000 1.142 237 T CB -0.313 68.703 68.868 0.246 0.000 0.861 237 T HN 0.131 nan 8.240 nan 0.000 0.456 238 F N 1.065 121.047 119.950 0.053 0.000 2.748 238 F HA 0.412 4.939 4.527 -0.000 0.000 0.299 238 F C 1.646 177.492 175.800 0.076 0.000 1.154 238 F CA -0.134 57.902 58.000 0.060 0.000 1.446 238 F CB -0.563 38.485 39.000 0.080 0.000 1.112 238 F HN 0.178 nan 8.300 nan 0.000 0.584 239 A N -0.258 122.676 122.820 0.190 0.000 2.687 239 A HA -0.289 4.030 4.320 -0.000 0.000 0.299 239 A C -0.410 177.320 177.584 0.243 0.000 1.497 239 A CA 0.967 53.088 52.037 0.139 0.000 0.751 239 A CB -2.628 16.425 19.000 0.090 0.000 1.048 239 A HN 0.465 nan 8.150 nan 0.000 0.464 240 Y N -2.007 118.340 120.300 0.079 0.000 2.519 240 Y HA 0.540 5.090 4.550 -0.000 0.000 0.336 240 Y C 0.129 176.048 175.900 0.032 0.000 1.089 240 Y CA -0.879 57.254 58.100 0.056 0.000 1.025 240 Y CB 1.137 39.638 38.460 0.067 0.000 1.318 240 Y HN 0.374 nan 8.280 nan 0.000 0.452 241 R N 3.815 123.876 120.500 -0.731 0.000 2.878 241 R HA 0.643 4.983 4.340 -0.000 0.000 0.239 241 R C -1.168 174.990 176.300 -0.236 0.000 1.515 241 R CA 0.643 56.499 56.100 -0.406 0.000 1.210 241 R CB -0.743 29.312 30.300 -0.409 0.000 1.209 241 R HN 0.704 nan 8.270 nan 0.000 0.610 242 A N 1.534 124.332 122.820 -0.037 0.000 2.511 242 A HA 0.740 5.059 4.320 -0.000 0.000 0.293 242 A C -1.142 176.441 177.584 -0.002 0.000 1.098 242 A CA -0.382 51.669 52.037 0.023 0.000 0.643 242 A CB 1.255 20.334 19.000 0.130 0.000 1.302 242 A HN 0.607 nan 8.150 nan 0.000 0.446 243 G N -1.708 107.067 108.800 -0.042 0.000 2.695 243 G HA2 0.916 4.876 3.960 -0.000 0.000 0.290 243 G HA3 0.916 4.876 3.960 -0.000 0.000 0.290 243 G C -0.848 173.944 174.900 -0.181 0.000 1.410 243 G CA 0.200 45.254 45.100 -0.077 0.000 0.844 243 G HN 2.142 nan 8.290 nan 0.000 0.478 244 A N -0.351 122.319 122.820 -0.250 0.000 2.572 244 A HA 0.810 5.129 4.320 -0.000 0.000 0.295 244 A C -1.372 175.916 177.584 -0.493 0.000 1.072 244 A CA -0.552 51.170 52.037 -0.524 0.000 0.691 244 A CB 1.344 19.779 19.000 -0.943 0.000 1.291 244 A HN 0.744 nan 8.150 nan 0.000 0.404 245 I N 1.890 122.126 120.570 -0.556 0.000 2.439 245 I HA 0.313 4.482 4.170 -0.000 0.000 0.285 245 I C -0.882 175.018 176.117 -0.362 0.000 1.021 245 I CA -0.227 60.890 61.300 -0.304 0.000 1.091 245 I CB 1.243 39.124 38.000 -0.197 0.000 1.242 245 I HN 0.604 nan 8.210 nan 0.000 0.439 246 W N 5.101 126.281 121.300 -0.199 0.000 2.417 246 W HA 0.508 5.168 4.660 -0.000 0.000 0.317 246 W C -0.651 175.828 176.519 -0.068 0.000 1.121 246 W CA -0.496 56.702 57.345 -0.245 0.000 1.208 246 W CB 1.992 31.032 29.460 -0.700 0.000 1.253 246 W HN 0.359 nan 8.180 nan 0.000 0.533 247 C N 2.438 121.978 119.300 0.401 0.000 2.547 247 C HA 0.209 4.669 4.460 -0.000 0.000 0.313 247 C C 0.694 175.977 174.990 0.489 0.000 1.191 247 C CA -0.826 58.495 59.018 0.504 0.000 1.474 247 C CB 1.306 29.295 27.740 0.414 0.000 2.081 247 C HN 0.520 nan 8.230 nan 0.000 0.476 248 N N 3.269 122.182 118.700 0.355 0.000 2.802 248 N HA 0.171 4.911 4.740 -0.000 0.000 0.288 248 N C -0.127 175.411 175.510 0.045 0.000 1.268 248 N CA 0.208 53.320 53.050 0.103 0.000 1.035 248 N CB -0.369 38.039 38.487 -0.132 0.000 1.353 248 N HN 0.967 nan 8.380 nan 0.000 0.522 249 N N -2.022 116.750 118.700 0.119 0.000 3.411 249 N HA 0.042 4.782 4.740 -0.000 0.000 0.312 249 N C -0.488 175.107 175.510 0.141 0.000 1.454 249 N CA -0.570 52.545 53.050 0.108 0.000 0.863 249 N CB 0.339 38.891 38.487 0.107 0.000 1.747 249 N HN -0.238 nan 8.380 nan 0.000 0.474 250 E N -0.391 119.886 120.200 0.129 0.000 2.479 250 E HA 0.221 4.571 4.350 -0.000 0.000 0.193 250 E C 1.019 177.692 176.600 0.122 0.000 1.049 250 E CA -0.071 56.394 56.400 0.108 0.000 0.870 250 E CB 0.014 29.762 29.700 0.079 0.000 0.944 250 E HN 0.361 nan 8.360 nan 0.000 0.492 251 V N 1.827 121.846 119.914 0.177 0.000 2.278 251 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 251 V C 1.592 177.733 176.094 0.077 0.000 1.062 251 V CA 1.943 64.331 62.300 0.146 0.000 1.038 251 V CB -0.490 31.465 31.823 0.220 0.000 0.646 251 V HN 0.401 nan 8.190 nan 0.000 0.447 252 N N -0.266 118.479 118.700 0.075 0.000 2.651 252 N HA -0.130 4.609 4.740 -0.000 0.000 0.193 252 N C 1.764 177.286 175.510 0.020 0.000 1.149 252 N CA 0.836 53.893 53.050 0.012 0.000 0.933 252 N CB -0.362 38.120 38.487 -0.008 0.000 0.974 252 N HN 0.503 nan 8.380 nan 0.000 0.448 253 R N -0.967 119.572 120.500 0.064 0.000 2.193 253 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 253 R C 1.295 177.708 176.300 0.189 0.000 1.055 253 R CA 0.638 56.800 56.100 0.104 0.000 0.995 253 R CB 0.197 30.549 30.300 0.086 0.000 0.893 253 R HN 0.286 nan 8.270 nan 0.000 0.459 254 C N -1.620 117.762 119.300 0.138 0.000 2.800 254 C HA 0.157 4.617 4.460 -0.000 0.000 0.379 254 C C 2.381 177.443 174.990 0.121 0.000 1.304 254 C CA -0.376 58.751 59.018 0.182 0.000 1.960 254 C CB -0.110 27.685 27.740 0.091 0.000 2.599 254 C HN 0.148 nan 8.230 nan 0.000 0.578 255 V N 2.904 122.821 119.914 0.005 0.000 2.317 255 V HA -0.192 3.928 4.120 -0.000 0.000 0.251 255 V C -0.474 175.537 176.094 -0.138 0.000 1.065 255 V CA 2.511 64.769 62.300 -0.070 0.000 1.049 255 V CB -1.871 29.888 31.823 -0.108 0.000 0.651 255 V HN 0.390 nan 8.190 nan 0.000 0.450 256 P HA -0.056 nan 4.420 nan 0.000 0.230 256 P C 1.007 177.908 177.300 -0.664 0.000 1.158 256 P CA 1.365 64.137 63.100 -0.546 0.000 0.769 256 P CB -0.138 31.050 31.700 -0.854 0.000 0.807 257 F N -2.686 117.190 119.950 -0.123 0.000 2.724 257 F HA 0.304 4.831 4.527 -0.000 0.000 0.306 257 F C 1.945 177.701 175.800 -0.073 0.000 1.100 257 F CA 0.035 57.956 58.000 -0.132 0.000 1.255 257 F CB -0.017 38.914 39.000 -0.116 0.000 1.072 257 F HN -0.221 nan 8.300 nan 0.000 0.589 258 I N -1.710 118.920 120.570 0.100 0.000 3.194 258 I HA 0.014 4.184 4.170 -0.000 0.000 0.271 258 I C 1.240 177.393 176.117 0.060 0.000 1.150 258 I CA 0.165 61.512 61.300 0.077 0.000 1.440 258 I CB -0.032 37.986 38.000 0.029 0.000 1.276 258 I HN -0.114 nan 8.210 nan 0.000 0.457 259 S N 0.603 116.307 115.700 0.007 0.000 2.525 259 S HA -0.011 4.459 4.470 -0.000 0.000 0.285 259 S C 1.059 175.773 174.600 0.189 0.000 1.283 259 S CA -0.170 58.041 58.200 0.017 0.000 1.072 259 S CB 0.271 63.454 63.200 -0.027 0.000 0.867 259 S HN 0.135 nan 8.310 nan 0.000 0.492 260 Y N 5.331 125.691 120.300 0.099 0.000 2.114 260 Y HA 0.064 4.614 4.550 -0.000 0.000 0.284 260 Y C -0.417 175.603 175.900 0.201 0.000 1.143 260 Y CA 0.702 58.944 58.100 0.237 0.000 1.135 260 Y CB -2.334 36.274 38.460 0.246 0.000 0.980 260 Y HN 0.568 nan 8.280 nan 0.000 0.499 261 P HA -0.210 nan 4.420 nan 0.000 0.217 261 P C 1.409 178.762 177.300 0.087 0.000 1.151 261 P CA 2.637 65.852 63.100 0.190 0.000 0.849 261 P CB -0.145 31.660 31.700 0.174 0.000 0.787 262 A N -1.650 121.184 122.820 0.024 0.000 2.016 262 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 262 A C 2.062 179.536 177.584 -0.182 0.000 1.162 262 A CA 1.074 53.057 52.037 -0.090 0.000 0.662 262 A CB -1.252 17.662 19.000 -0.144 0.000 0.812 262 A HN 0.156 nan 8.150 nan 0.000 0.450 263 I N -2.697 117.738 120.570 -0.225 0.000 2.585 263 I HA -0.006 4.164 4.170 -0.000 0.000 0.254 263 I C 1.335 177.084 176.117 -0.613 0.000 1.129 263 I CA 0.921 61.884 61.300 -0.560 0.000 1.455 263 I CB -0.028 37.419 38.000 -0.921 0.000 1.111 263 I HN 0.268 nan 8.210 nan 0.000 0.433 264 F N -0.542 119.402 119.950 -0.010 0.000 2.678 264 F HA 0.276 4.803 4.527 -0.000 0.000 0.305 264 F C 1.008 176.817 175.800 0.014 0.000 1.090 264 F CA -0.137 57.858 58.000 -0.009 0.000 1.272 264 F CB 0.458 39.423 39.000 -0.059 0.000 1.060 264 F HN -0.199 nan 8.300 nan 0.000 0.576 265 S N -0.230 115.546 115.700 0.127 0.000 2.482 265 S HA 0.453 4.923 4.470 -0.000 0.000 0.303 265 S C 0.128 174.760 174.600 0.053 0.000 1.091 265 S CA -0.538 57.718 58.200 0.094 0.000 1.057 265 S CB 0.924 64.175 63.200 0.086 0.000 1.031 265 S HN 0.017 nan 8.310 nan 0.000 0.485 266 S N 2.403 118.144 115.700 0.070 0.000 2.559 266 S HA 0.084 4.554 4.470 -0.000 0.000 0.282 266 S C 0.602 175.201 174.600 -0.001 0.000 1.336 266 S CA 0.156 58.390 58.200 0.057 0.000 1.037 266 S CB 0.565 63.831 63.200 0.110 0.000 0.853 266 S HN 0.795 nan 8.310 nan 0.000 0.523 267 T N 1.612 116.141 114.554 -0.042 0.000 2.788 267 T HA 0.329 4.679 4.350 -0.000 0.000 0.287 267 T C 0.112 174.748 174.700 -0.106 0.000 1.007 267 T CA -0.767 61.283 62.100 -0.084 0.000 1.005 267 T CB 0.064 68.869 68.868 -0.104 0.000 1.012 267 T HN 0.280 nan 8.240 nan 0.000 0.530 268 L N 3.110 124.267 121.223 -0.110 0.000 2.485 268 L HA 0.194 4.534 4.340 -0.000 0.000 0.275 268 L C 0.081 176.832 176.870 -0.200 0.000 1.207 268 L CA 0.100 54.861 54.840 -0.131 0.000 0.855 268 L CB 0.163 42.157 42.059 -0.108 0.000 1.114 268 L HN 0.472 nan 8.230 nan 0.000 0.485 269 L N 5.962 127.022 121.223 -0.271 0.000 2.417 269 L HA 0.201 4.541 4.340 -0.000 0.000 0.268 269 L C -1.160 175.546 176.870 -0.274 0.000 1.158 269 L CA -1.573 53.086 54.840 -0.301 0.000 0.819 269 L CB -0.035 41.862 42.059 -0.269 0.000 1.112 269 L HN 0.454 nan 8.230 nan 0.000 0.458 270 P HA -0.218 nan 4.420 nan 0.000 0.217 270 P C 1.533 178.797 177.300 -0.060 0.000 1.151 270 P CA 1.652 64.706 63.100 -0.076 0.000 0.849 270 P CB -0.067 31.631 31.700 -0.003 0.000 0.787 271 Y N -0.079 120.200 120.300 -0.035 0.000 2.293 271 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 271 Y C 1.844 177.713 175.900 -0.051 0.000 1.137 271 Y CA 0.852 58.935 58.100 -0.029 0.000 1.202 271 Y CB -1.565 36.892 38.460 -0.004 0.000 0.990 271 Y HN 0.008 nan 8.280 nan 0.000 0.537 272 E N 1.364 121.121 120.200 -0.738 0.000 2.051 272 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 272 E C 2.537 178.929 176.600 -0.347 0.000 0.991 272 E CA 1.143 57.229 56.400 -0.524 0.000 0.799 272 E CB -0.359 29.103 29.700 -0.396 0.000 0.748 272 E HN 0.620 nan 8.360 nan 0.000 0.449 273 A N 1.830 124.506 122.820 -0.239 0.000 1.892 273 A HA -0.240 4.079 4.320 -0.000 0.000 0.218 273 A C 2.462 179.963 177.584 -0.139 0.000 1.188 273 A CA 2.117 54.053 52.037 -0.168 0.000 0.631 273 A CB -0.878 18.049 19.000 -0.121 0.000 0.822 273 A HN 0.316 nan 8.150 nan 0.000 0.447 274 A N -0.606 122.154 122.820 -0.099 0.000 1.883 274 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 274 A C 2.503 180.037 177.584 -0.082 0.000 1.186 274 A CA 2.174 54.177 52.037 -0.057 0.000 0.624 274 A CB -1.584 17.414 19.000 -0.003 0.000 0.822 274 A HN 0.924 nan 8.150 nan 0.000 0.444 275 G N -0.437 108.290 108.800 -0.122 0.000 2.475 275 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 275 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 275 G C 1.525 176.309 174.900 -0.194 0.000 1.125 275 G CA 1.106 46.110 45.100 -0.161 0.000 0.755 275 G HN 0.454 nan 8.290 nan 0.000 0.565 276 L N -0.089 121.000 121.223 -0.224 0.000 2.109 276 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 276 L C 2.887 179.737 176.870 -0.033 0.000 1.086 276 L CA 0.938 55.709 54.840 -0.115 0.000 0.760 276 L CB -0.340 41.651 42.059 -0.113 0.000 0.910 276 L HN 0.296 nan 8.230 nan 0.000 0.437 277 E N -0.419 119.748 120.200 -0.055 0.000 2.058 277 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 277 E C 2.091 178.655 176.600 -0.059 0.000 0.997 277 E CA 1.875 58.251 56.400 -0.039 0.000 0.801 277 E CB -0.245 29.434 29.700 -0.036 0.000 0.746 277 E HN 0.423 nan 8.360 nan 0.000 0.450 278 T N 0.680 115.191 114.554 -0.072 0.000 2.746 278 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 278 T C 2.031 176.644 174.700 -0.145 0.000 1.039 278 T CA 1.745 63.789 62.100 -0.093 0.000 1.142 278 T CB -0.408 68.414 68.868 -0.077 0.000 0.866 278 T HN 0.202 nan 8.240 nan 0.000 0.444 279 T N 2.590 117.060 114.554 -0.140 0.000 2.665 279 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 279 T C 1.868 176.397 174.700 -0.285 0.000 1.035 279 T CA 1.147 63.125 62.100 -0.204 0.000 1.151 279 T CB -0.572 68.232 68.868 -0.107 0.000 0.862 279 T HN 0.138 nan 8.240 nan 0.000 0.438 280 L N 1.327 122.452 121.223 -0.163 0.000 2.042 280 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 280 L C 2.264 178.968 176.870 -0.276 0.000 1.076 280 L CA 1.823 56.527 54.840 -0.228 0.000 0.749 280 L CB -0.735 41.268 42.059 -0.093 0.000 0.893 280 L HN 0.280 nan 8.230 nan 0.000 0.432 281 E N -0.547 119.544 120.200 -0.181 0.000 2.051 281 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 281 E C 2.226 178.735 176.600 -0.152 0.000 0.991 281 E CA 1.704 58.021 56.400 -0.139 0.000 0.799 281 E CB -0.222 29.423 29.700 -0.093 0.000 0.748 281 E HN 0.543 nan 8.360 nan 0.000 0.449 282 I N 0.808 121.257 120.570 -0.202 0.000 2.163 282 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 282 I C 2.239 178.250 176.117 -0.178 0.000 1.085 282 I CA 1.168 62.340 61.300 -0.213 0.000 1.347 282 I CB -0.161 37.618 38.000 -0.369 0.000 1.044 282 I HN 0.113 nan 8.210 nan 0.000 0.408 283 I N 0.256 120.676 120.570 -0.250 0.000 2.208 283 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 283 I C 2.364 178.423 176.117 -0.096 0.000 1.097 283 I CA 1.512 62.680 61.300 -0.220 0.000 1.363 283 I CB -0.433 37.312 38.000 -0.425 0.000 1.051 283 I HN 0.244 nan 8.210 nan 0.000 0.413 284 E N 0.233 120.363 120.200 -0.115 0.000 2.267 284 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 284 E C 1.983 178.602 176.600 0.032 0.000 0.998 284 E CA 1.597 58.005 56.400 0.013 0.000 0.830 284 E CB -0.017 29.675 29.700 -0.013 0.000 0.751 284 E HN 0.568 nan 8.360 nan 0.000 0.491 285 S N -0.773 114.922 115.700 -0.007 0.000 2.512 285 S HA 0.260 4.730 4.470 -0.000 0.000 0.216 285 S C 1.428 176.035 174.600 0.012 0.000 1.006 285 S CA 0.029 58.233 58.200 0.008 0.000 0.915 285 S CB 0.865 64.064 63.200 -0.001 0.000 0.824 285 S HN 0.159 nan 8.310 nan 0.000 0.497 286 A N 2.004 124.826 122.820 0.003 0.000 2.478 286 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 286 A C 1.157 178.758 177.584 0.028 0.000 1.480 286 A CA 0.084 52.129 52.037 0.014 0.000 1.308 286 A CB -0.721 18.279 19.000 0.001 0.000 0.899 286 A HN 0.387 nan 8.150 nan 0.000 0.600 287 D N 1.727 122.145 120.400 0.029 0.000 2.133 287 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 287 D C 1.941 178.260 176.300 0.031 0.000 0.997 287 D CA 1.725 55.742 54.000 0.028 0.000 0.840 287 D CB -0.170 40.645 40.800 0.025 0.000 0.947 287 D HN 0.744 nan 8.370 nan 0.000 0.452 288 N N 1.789 120.508 118.700 0.032 0.000 2.036 288 N HA -0.242 4.498 4.740 -0.000 0.000 0.195 288 N C 1.713 177.262 175.510 0.066 0.000 1.037 288 N CA 1.302 54.374 53.050 0.037 0.000 0.855 288 N CB -0.825 37.675 38.487 0.022 0.000 1.033 288 N HN 0.213 nan 8.380 nan 0.000 0.423 289 R N 0.023 120.564 120.500 0.069 0.000 2.115 289 R HA 0.159 4.498 4.340 -0.000 0.000 0.226 289 R C 2.669 179.025 176.300 0.094 0.000 1.100 289 R CA 0.851 57.014 56.100 0.105 0.000 0.980 289 R CB -0.145 30.209 30.300 0.090 0.000 0.875 289 R HN 0.293 nan 8.270 nan 0.000 0.445 290 R N 0.430 120.961 120.500 0.051 0.000 2.073 290 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 290 R C 2.382 178.675 176.300 -0.012 0.000 1.134 290 R CA 1.701 57.805 56.100 0.007 0.000 0.952 290 R CB -0.187 30.108 30.300 -0.009 0.000 0.850 290 R HN 0.251 nan 8.270 nan 0.000 0.433 291 Q N -0.372 119.438 119.800 0.017 0.000 2.050 291 Q HA -0.254 4.085 4.340 -0.000 0.000 0.202 291 Q C 2.022 178.051 176.000 0.049 0.000 0.980 291 Q CA 1.995 57.810 55.803 0.019 0.000 0.840 291 Q CB -0.130 28.628 28.738 0.033 0.000 0.898 291 Q HN 0.386 nan 8.270 nan 0.000 0.424 292 H N -0.145 118.922 119.070 -0.006 0.000 2.321 292 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 292 H C 1.787 177.116 175.328 0.001 0.000 1.087 292 H CA 1.871 57.920 56.048 0.002 0.000 1.319 292 H CB -0.359 29.410 29.762 0.012 0.000 1.379 292 H HN 0.339 nan 8.280 nan 0.000 0.501 293 L N 0.400 121.555 121.223 -0.112 0.000 2.046 293 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 293 L C 2.036 178.821 176.870 -0.141 0.000 1.077 293 L CA 2.350 57.096 54.840 -0.156 0.000 0.747 293 L CB -0.881 41.156 42.059 -0.037 0.000 0.896 293 L HN 0.387 nan 8.230 nan 0.000 0.432 294 D N -0.430 119.902 120.400 -0.114 0.000 2.106 294 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 294 D C 2.286 178.531 176.300 -0.091 0.000 0.997 294 D CA 1.803 55.738 54.000 -0.108 0.000 0.834 294 D CB -0.032 40.702 40.800 -0.109 0.000 0.956 294 D HN 0.309 nan 8.370 nan 0.000 0.448 295 R N -0.928 119.518 120.500 -0.090 0.000 2.073 295 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 295 R C 2.465 178.708 176.300 -0.094 0.000 1.134 295 R CA 1.493 57.550 56.100 -0.071 0.000 0.952 295 R CB -0.199 30.081 30.300 -0.033 0.000 0.850 295 R HN 0.304 nan 8.270 nan 0.000 0.433 296 M N 0.077 119.571 119.600 -0.176 0.000 2.108 296 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 296 M C 2.465 178.712 176.300 -0.088 0.000 1.066 296 M CA 1.701 56.908 55.300 -0.155 0.000 1.107 296 M CB -1.087 31.356 32.600 -0.262 0.000 1.356 296 M HN 0.217 nan 8.290 nan 0.000 0.406 297 A N 0.281 123.049 122.820 -0.087 0.000 1.865 297 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 297 A C 2.383 179.943 177.584 -0.040 0.000 1.191 297 A CA 2.198 54.203 52.037 -0.054 0.000 0.623 297 A CB -0.879 18.088 19.000 -0.055 0.000 0.826 297 A HN 0.493 nan 8.150 nan 0.000 0.444 298 R N -0.136 120.340 120.500 -0.041 0.000 2.096 298 R HA -0.211 4.129 4.340 -0.000 0.000 0.240 298 R C 2.195 178.480 176.300 -0.025 0.000 1.139 298 R CA 2.120 58.203 56.100 -0.029 0.000 0.952 298 R CB -0.292 29.992 30.300 -0.027 0.000 0.854 298 R HN 0.564 nan 8.270 nan 0.000 0.436 299 K N 0.089 120.473 120.400 -0.027 0.000 2.032 299 K HA -0.189 4.130 4.320 -0.000 0.000 0.209 299 K C 2.122 178.711 176.600 -0.017 0.000 1.048 299 K CA 1.542 57.818 56.287 -0.018 0.000 0.927 299 K CB -0.289 32.202 32.500 -0.015 0.000 0.712 299 K HN 0.110 nan 8.250 nan 0.000 0.441 300 L N 1.638 122.849 121.223 -0.020 0.000 2.046 300 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 300 L C 2.236 179.092 176.870 -0.024 0.000 1.077 300 L CA 1.591 56.420 54.840 -0.018 0.000 0.747 300 L CB -0.244 41.807 42.059 -0.014 0.000 0.896 300 L HN 0.087 nan 8.230 nan 0.000 0.432 301 R N -0.539 119.947 120.500 -0.025 0.000 2.082 301 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 301 R C 2.280 178.564 176.300 -0.027 0.000 1.136 301 R CA 2.092 58.176 56.100 -0.027 0.000 0.935 301 R CB -0.776 29.510 30.300 -0.022 0.000 0.842 301 R HN 0.366 nan 8.270 nan 0.000 0.430 302 I N 0.393 120.950 120.570 -0.022 0.000 2.118 302 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 302 I C 2.652 178.756 176.117 -0.022 0.000 1.070 302 I CA 1.718 63.007 61.300 -0.019 0.000 1.327 302 I CB -0.916 37.075 38.000 -0.014 0.000 1.034 302 I HN 0.376 nan 8.210 nan 0.000 0.405 303 G N 1.034 109.822 108.800 -0.021 0.000 2.491 303 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 303 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 303 G C 1.667 176.547 174.900 -0.034 0.000 1.180 303 G CA 0.926 46.014 45.100 -0.021 0.000 0.774 303 G HN 0.315 nan 8.290 nan 0.000 0.562 304 L N 0.490 121.686 121.223 -0.045 0.000 2.131 304 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 304 L C 3.169 179.994 176.870 -0.076 0.000 1.087 304 L CA 0.917 55.715 54.840 -0.071 0.000 0.767 304 L CB -0.300 41.709 42.059 -0.083 0.000 0.917 304 L HN 0.159 nan 8.230 nan 0.000 0.441 305 S N -0.345 115.322 115.700 -0.055 0.000 2.382 305 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 305 S C 1.919 176.493 174.600 -0.042 0.000 1.027 305 S CA 1.161 59.333 58.200 -0.048 0.000 0.991 305 S CB -0.239 62.941 63.200 -0.033 0.000 0.823 305 S HN 0.448 nan 8.310 nan 0.000 0.469 306 Q N 0.562 120.340 119.800 -0.037 0.000 2.181 306 Q HA -0.049 4.291 4.340 -0.000 0.000 0.205 306 Q C 1.764 177.741 176.000 -0.038 0.000 0.980 306 Q CA 0.917 56.702 55.803 -0.031 0.000 0.862 306 Q CB -0.466 28.258 28.738 -0.024 0.000 0.905 306 Q HN 0.527 nan 8.270 nan 0.000 0.429 307 L N -0.763 120.427 121.223 -0.054 0.000 2.622 307 L HA 0.010 4.349 4.340 -0.000 0.000 0.233 307 L C 1.268 178.099 176.870 -0.065 0.000 1.156 307 L CA 0.596 55.395 54.840 -0.067 0.000 0.866 307 L CB -0.368 41.633 42.059 -0.097 0.000 0.980 307 L HN 0.432 nan 8.230 nan 0.000 0.448 308 G N 0.171 108.940 108.800 -0.053 0.000 2.157 308 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 308 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 308 G C 0.143 175.019 174.900 -0.040 0.000 0.979 308 G CA -0.327 44.752 45.100 -0.036 0.000 0.650 308 G HN 0.210 nan 8.290 nan 0.000 0.529 309 L N 1.741 122.916 121.223 -0.081 0.000 2.397 309 L HA 0.395 4.735 4.340 -0.000 0.000 0.271 309 L C 1.009 177.846 176.870 -0.055 0.000 1.148 309 L CA -0.199 54.579 54.840 -0.103 0.000 0.825 309 L CB 0.860 42.790 42.059 -0.215 0.000 1.117 309 L HN 0.160 nan 8.230 nan 0.000 0.456 310 T N 4.492 119.033 114.554 -0.022 0.000 2.769 310 T HA 0.279 4.629 4.350 -0.000 0.000 0.293 310 T C 0.094 174.776 174.700 -0.032 0.000 0.931 310 T CA -0.052 62.041 62.100 -0.012 0.000 1.139 310 T CB -0.005 68.873 68.868 0.015 0.000 0.881 310 T HN 0.188 nan 8.240 nan 0.000 0.532 311 I N 4.063 124.611 120.570 -0.036 0.000 2.537 311 I HA 0.298 4.468 4.170 -0.000 0.000 0.276 311 I C 1.088 177.184 176.117 -0.034 0.000 1.063 311 I CA -0.534 60.742 61.300 -0.040 0.000 1.144 311 I CB 1.107 39.081 38.000 -0.044 0.000 1.252 311 I HN 0.572 nan 8.210 nan 0.000 0.480 312 R N 1.497 121.972 120.500 -0.042 0.000 2.189 312 R HA -0.039 4.301 4.340 -0.000 0.000 0.223 312 R C 1.270 177.554 176.300 -0.026 0.000 1.092 312 R CA 0.400 56.476 56.100 -0.040 0.000 0.989 312 R CB 0.091 30.349 30.300 -0.069 0.000 0.876 312 R HN 0.563 nan 8.270 nan 0.000 0.457 313 S N 0.742 116.423 115.700 -0.030 0.000 2.558 313 S HA -0.093 4.377 4.470 -0.000 0.000 0.287 313 S C 0.348 174.945 174.600 -0.006 0.000 1.321 313 S CA 0.311 58.499 58.200 -0.019 0.000 1.048 313 S CB 0.437 63.620 63.200 -0.029 0.000 0.844 313 S HN 0.317 nan 8.310 nan 0.000 0.512 314 E N 1.263 121.467 120.200 0.007 0.000 3.029 314 E HA 0.214 4.563 4.350 -0.000 0.000 0.196 314 E C -0.471 176.148 176.600 0.031 0.000 0.973 314 E CA -0.265 56.145 56.400 0.016 0.000 1.242 314 E CB 0.806 30.521 29.700 0.025 0.000 1.056 314 E HN 0.654 nan 8.360 nan 0.000 0.469 315 S N -0.511 115.198 115.700 0.015 0.000 2.880 315 S HA 0.068 4.538 4.470 -0.000 0.000 0.308 315 S C 0.770 175.356 174.600 -0.024 0.000 1.195 315 S CA -0.766 57.451 58.200 0.028 0.000 0.866 315 S CB 0.836 64.048 63.200 0.020 0.000 1.254 315 S HN 0.020 nan 8.310 nan 0.000 0.571 316 Q N 0.297 120.059 119.800 -0.063 0.000 2.500 316 Q HA 0.132 4.471 4.340 -0.000 0.000 0.213 316 Q C 0.103 176.044 176.000 -0.099 0.000 0.974 316 Q CA 0.834 56.571 55.803 -0.111 0.000 0.918 316 Q CB -0.658 27.954 28.738 -0.209 0.000 0.980 316 Q HN 0.735 nan 8.270 nan 0.000 0.505 317 I N 2.779 123.292 120.570 -0.096 0.000 2.307 317 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 317 I C -0.491 175.601 176.117 -0.042 0.000 1.021 317 I CA -0.786 60.481 61.300 -0.054 0.000 1.224 317 I CB 0.988 38.934 38.000 -0.089 0.000 1.376 317 I HN -0.044 nan 8.210 nan 0.000 0.470 318 I N 5.439 125.996 120.570 -0.020 0.000 2.354 318 I HA 0.430 4.600 4.170 -0.000 0.000 0.292 318 I C 0.651 176.750 176.117 -0.029 0.000 0.989 318 I CA -0.641 60.644 61.300 -0.026 0.000 1.188 318 I CB 1.194 39.184 38.000 -0.018 0.000 1.342 318 I HN 0.534 nan 8.210 nan 0.000 0.457 319 G N 6.936 115.709 108.800 -0.046 0.000 2.384 319 G HA2 0.607 4.566 3.960 -0.000 0.000 0.316 319 G HA3 0.607 4.566 3.960 -0.000 0.000 0.316 319 G C -0.520 174.370 174.900 -0.017 0.000 1.160 319 G CA -0.491 44.582 45.100 -0.045 0.000 0.936 319 G HN 0.494 nan 8.290 nan 0.000 0.455 320 L N 2.565 123.799 121.223 0.018 0.000 2.281 320 L HA 0.289 4.629 4.340 -0.000 0.000 0.285 320 L C 0.230 177.166 176.870 0.109 0.000 1.074 320 L CA -0.410 54.468 54.840 0.063 0.000 0.817 320 L CB 1.117 43.236 42.059 0.100 0.000 1.168 320 L HN 0.510 nan 8.230 nan 0.000 0.434 321 E N 2.251 122.534 120.200 0.138 0.000 2.046 321 E HA 0.135 4.485 4.350 -0.000 0.000 0.279 321 E C 0.295 176.974 176.600 0.131 0.000 0.989 321 E CA -0.176 56.293 56.400 0.115 0.000 0.798 321 E CB 0.980 30.736 29.700 0.094 0.000 1.086 321 E HN 0.623 nan 8.360 nan 0.000 0.399 322 T N -0.061 114.499 114.554 0.010 0.000 3.134 322 T HA 0.309 4.659 4.350 -0.000 0.000 0.260 322 T C 1.123 175.677 174.700 -0.244 0.000 1.027 322 T CA 0.058 62.036 62.100 -0.203 0.000 0.913 322 T CB 0.370 69.082 68.868 -0.261 0.000 1.046 322 T HN 0.623 nan 8.240 nan 0.000 0.553 323 G N 3.009 111.793 108.800 -0.028 0.000 2.629 323 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.313 323 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.313 323 G C -0.185 174.729 174.900 0.024 0.000 1.217 323 G CA 0.449 45.599 45.100 0.083 0.000 0.994 323 G HN 1.020 nan 8.290 nan 0.000 0.549 324 D N 0.487 120.926 120.400 0.065 0.000 2.358 324 D HA 0.496 5.136 4.640 -0.000 0.000 0.244 324 D C 1.274 177.544 176.300 -0.051 0.000 1.163 324 D CA 0.395 54.408 54.000 0.023 0.000 0.945 324 D CB 0.619 41.459 40.800 0.066 0.000 1.152 324 D HN 0.629 nan 8.370 nan 0.000 0.451 325 E N -0.682 119.483 120.200 -0.058 0.000 2.051 325 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 325 E C 1.942 178.482 176.600 -0.099 0.000 0.991 325 E CA 0.501 56.848 56.400 -0.088 0.000 0.799 325 E CB -0.011 29.622 29.700 -0.112 0.000 0.748 325 E HN 0.317 nan 8.360 nan 0.000 0.449 326 R N 1.216 121.669 120.500 -0.078 0.000 2.096 326 R HA -0.160 4.179 4.340 -0.000 0.000 0.240 326 R C 1.889 178.134 176.300 -0.092 0.000 1.139 326 R CA 1.468 57.528 56.100 -0.067 0.000 0.952 326 R CB -0.911 29.371 30.300 -0.031 0.000 0.854 326 R HN 0.301 nan 8.270 nan 0.000 0.436 327 N N -0.833 117.793 118.700 -0.123 0.000 2.120 327 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 327 N C 1.195 176.502 175.510 -0.338 0.000 1.024 327 N CA 1.860 54.758 53.050 -0.254 0.000 0.852 327 N CB 0.083 38.278 38.487 -0.486 0.000 1.003 327 N HN 0.172 nan 8.380 nan 0.000 0.424 328 T N 0.812 115.202 114.554 -0.274 0.000 2.684 328 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 328 T C 1.622 176.194 174.700 -0.213 0.000 1.036 328 T CA 1.277 63.230 62.100 -0.245 0.000 1.148 328 T CB -0.446 68.336 68.868 -0.143 0.000 0.863 328 T HN 0.394 nan 8.240 nan 0.000 0.436 329 E N 0.932 121.039 120.200 -0.156 0.000 2.130 329 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 329 E C 2.122 178.643 176.600 -0.133 0.000 0.998 329 E CA 1.245 57.572 56.400 -0.120 0.000 0.806 329 E CB 0.011 29.658 29.700 -0.088 0.000 0.738 329 E HN 0.460 nan 8.360 nan 0.000 0.459 330 K N -0.220 120.080 120.400 -0.166 0.000 2.001 330 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 330 K C 2.193 178.573 176.600 -0.367 0.000 1.048 330 K CA 1.419 57.622 56.287 -0.140 0.000 0.932 330 K CB -0.104 32.384 32.500 -0.021 0.000 0.715 330 K HN 0.022 nan 8.250 nan 0.000 0.437 331 V N 1.763 121.239 119.914 -0.731 0.000 2.332 331 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 331 V C 2.466 178.345 176.094 -0.358 0.000 1.055 331 V CA 1.735 63.477 62.300 -0.931 0.000 1.038 331 V CB -0.554 30.758 31.823 -0.852 0.000 0.651 331 V HN 0.338 nan 8.190 nan 0.000 0.450 332 R N 0.022 120.374 120.500 -0.246 0.000 2.073 332 R HA -0.188 4.151 4.340 -0.000 0.000 0.234 332 R C 2.076 178.288 176.300 -0.146 0.000 1.134 332 R CA 2.110 58.114 56.100 -0.160 0.000 0.952 332 R CB -0.430 29.797 30.300 -0.122 0.000 0.850 332 R HN 0.481 nan 8.270 nan 0.000 0.433 333 D N -0.522 119.817 120.400 -0.101 0.000 2.144 333 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 333 D C 1.580 177.872 176.300 -0.013 0.000 0.984 333 D CA 1.056 55.024 54.000 -0.054 0.000 0.834 333 D CB -0.319 40.478 40.800 -0.006 0.000 0.955 333 D HN 0.298 nan 8.370 nan 0.000 0.465 334 Y N 1.122 121.379 120.300 -0.073 0.000 2.133 334 Y HA -0.100 4.450 4.550 -0.000 0.000 0.287 334 Y C 2.256 178.145 175.900 -0.018 0.000 1.134 334 Y CA 1.262 59.378 58.100 0.028 0.000 1.133 334 Y CB -0.285 38.286 38.460 0.184 0.000 0.987 334 Y HN -0.111 nan 8.280 nan 0.000 0.502 335 L N -0.103 121.155 121.223 0.058 0.000 2.131 335 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 335 L C 2.270 179.003 176.870 -0.229 0.000 1.092 335 L CA 1.601 56.421 54.840 -0.033 0.000 0.759 335 L CB -0.460 41.589 42.059 -0.016 0.000 0.903 335 L HN 0.329 nan 8.230 nan 0.000 0.435 336 E N -0.497 119.482 120.200 -0.369 0.000 2.046 336 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 336 E C 2.314 178.758 176.600 -0.260 0.000 0.982 336 E CA 1.207 57.220 56.400 -0.645 0.000 0.800 336 E CB -0.001 29.267 29.700 -0.721 0.000 0.756 336 E HN 0.293 nan 8.360 nan 0.000 0.449 337 S N 1.114 116.704 115.700 -0.183 0.000 2.392 337 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 337 S C 1.195 175.723 174.600 -0.120 0.000 1.041 337 S CA 1.441 59.564 58.200 -0.128 0.000 1.026 337 S CB -0.250 62.843 63.200 -0.177 0.000 0.845 337 S HN 0.257 nan 8.310 nan 0.000 0.465 338 N N -0.336 118.260 118.700 -0.172 0.000 2.279 338 N HA 0.366 5.106 4.740 -0.000 0.000 0.226 338 N C 0.762 176.268 175.510 -0.007 0.000 1.126 338 N CA 0.418 53.403 53.050 -0.109 0.000 0.846 338 N CB 0.934 39.314 38.487 -0.178 0.000 1.050 338 N HN 0.373 nan 8.380 nan 0.000 0.502 339 G N -0.553 108.278 108.800 0.051 0.000 2.157 339 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.239 339 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.239 339 G C -0.233 174.810 174.900 0.237 0.000 0.982 339 G CA -0.110 45.093 45.100 0.172 0.000 0.650 339 G HN 0.170 nan 8.290 nan 0.000 0.527 340 V N 0.885 120.863 119.914 0.107 0.000 2.357 340 V HA 0.693 4.813 4.120 -0.000 0.000 0.284 340 V C -0.482 175.612 176.094 0.001 0.000 1.018 340 V CA -0.638 61.731 62.300 0.115 0.000 0.841 340 V CB 1.166 33.025 31.823 0.060 0.000 0.991 340 V HN 0.198 nan 8.190 nan 0.000 0.437 341 F N 3.581 123.561 119.950 0.050 0.000 2.359 341 F HA 0.709 5.236 4.527 -0.000 0.000 0.369 341 F C 0.922 176.766 175.800 0.073 0.000 1.084 341 F CA -0.341 57.692 58.000 0.055 0.000 1.096 341 F CB 1.526 40.553 39.000 0.046 0.000 1.335 341 F HN 0.593 nan 8.300 nan 0.000 0.457 342 G N 0.667 109.557 108.800 0.150 0.000 2.583 342 G HA2 0.518 4.478 3.960 -0.000 0.000 0.280 342 G HA3 0.518 4.478 3.960 -0.000 0.000 0.280 342 G C -0.908 174.106 174.900 0.189 0.000 1.376 342 G CA -0.706 44.492 45.100 0.164 0.000 1.043 342 G HN 0.386 nan 8.290 nan 0.000 0.538 343 S N -0.548 115.294 115.700 0.236 0.000 2.474 343 S HA 0.399 4.869 4.470 -0.000 0.000 0.321 343 S C -0.006 174.786 174.600 0.320 0.000 1.080 343 S CA -0.436 57.931 58.200 0.278 0.000 1.106 343 S CB 1.522 64.973 63.200 0.419 0.000 0.984 343 S HN 0.471 nan 8.310 nan 0.000 0.464 344 V N 4.340 124.361 119.914 0.177 0.000 2.540 344 V HA 0.132 4.251 4.120 -0.000 0.000 0.297 344 V C -0.574 175.610 176.094 0.151 0.000 1.024 344 V CA 0.463 62.859 62.300 0.159 0.000 1.105 344 V CB -0.529 31.341 31.823 0.079 0.000 0.938 344 V HN 0.718 nan 8.190 nan 0.000 0.482 345 F N 4.684 124.684 119.950 0.084 0.000 2.366 345 F HA 0.513 5.040 4.527 -0.000 0.000 0.366 345 F C 0.649 176.501 175.800 0.087 0.000 1.096 345 F CA -0.551 57.509 58.000 0.100 0.000 1.060 345 F CB 0.994 40.055 39.000 0.102 0.000 1.282 345 F HN 0.669 nan 8.300 nan 0.000 0.450 346 C N 1.347 120.743 119.300 0.160 0.000 2.711 346 C HA 0.810 5.270 4.460 -0.000 0.000 0.410 346 C C 0.370 175.447 174.990 0.144 0.000 1.553 346 C CA -1.554 57.547 59.018 0.137 0.000 1.759 346 C CB 1.111 28.916 27.740 0.108 0.000 2.077 346 C HN 0.861 nan 8.230 nan 0.000 0.483 347 R N 0.504 121.081 120.500 0.128 0.000 2.756 347 R HA 0.266 4.606 4.340 -0.000 0.000 0.264 347 R C -2.051 174.356 176.300 0.178 0.000 1.026 347 R CA -0.157 56.022 56.100 0.132 0.000 1.121 347 R CB -0.631 29.744 30.300 0.124 0.000 0.999 347 R HN 0.541 nan 8.270 nan 0.000 0.449 348 P HA 0.079 nan 4.420 nan 0.000 0.245 348 P C 0.395 177.725 177.300 0.050 0.000 1.212 348 P CA 0.615 63.761 63.100 0.078 0.000 0.774 348 P CB 0.343 32.080 31.700 0.063 0.000 0.999 349 A N -0.229 122.646 122.820 0.093 0.000 2.014 349 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 349 A C 1.244 178.907 177.584 0.131 0.000 1.163 349 A CA 1.425 53.545 52.037 0.139 0.000 0.652 349 A CB -0.826 18.322 19.000 0.247 0.000 0.808 349 A HN 0.363 nan 8.150 nan 0.000 0.449 350 T N -3.001 111.616 114.554 0.105 0.000 2.887 350 T HA 0.553 4.902 4.350 -0.000 0.000 0.292 350 T C 0.016 174.719 174.700 0.006 0.000 1.087 350 T CA 0.008 62.143 62.100 0.059 0.000 1.009 350 T CB 1.286 70.222 68.868 0.112 0.000 1.203 350 T HN 0.538 nan 8.240 nan 0.000 0.518 351 S N 0.108 115.787 115.700 -0.036 0.000 2.593 351 S HA 0.272 4.741 4.470 -0.000 0.000 0.269 351 S C 1.229 175.824 174.600 -0.007 0.000 1.334 351 S CA -0.686 57.489 58.200 -0.042 0.000 1.015 351 S CB 0.875 64.025 63.200 -0.083 0.000 0.912 351 S HN 0.916 nan 8.310 nan 0.000 0.541 352 K N 0.919 121.314 120.400 -0.009 0.000 2.103 352 K HA -0.124 4.195 4.320 -0.000 0.000 0.207 352 K C 0.664 177.261 176.600 -0.006 0.000 1.048 352 K CA 1.514 57.796 56.287 -0.008 0.000 0.930 352 K CB -0.257 32.231 32.500 -0.019 0.000 0.716 352 K HN 0.619 nan 8.250 nan 0.000 0.444 353 N N 0.631 119.330 118.700 -0.002 0.000 2.270 353 N HA 0.026 4.766 4.740 -0.000 0.000 0.198 353 N C -0.580 174.950 175.510 0.033 0.000 1.117 353 N CA 0.475 53.534 53.050 0.014 0.000 0.845 353 N CB 0.825 39.319 38.487 0.011 0.000 0.980 353 N HN 0.078 nan 8.380 nan 0.000 0.486 354 K N 0.744 121.162 120.400 0.030 0.000 3.084 354 K HA 0.253 4.573 4.320 -0.000 0.000 0.172 354 K C -0.637 176.002 176.600 0.065 0.000 1.078 354 K CA -0.446 55.871 56.287 0.050 0.000 0.875 354 K CB 0.679 33.208 32.500 0.048 0.000 1.064 354 K HN 0.020 nan 8.250 nan 0.000 0.597 355 N N 1.433 120.165 118.700 0.053 0.000 2.444 355 N HA 0.267 5.007 4.740 -0.000 0.000 0.255 355 N C -0.251 175.307 175.510 0.079 0.000 1.255 355 N CA 0.197 53.290 53.050 0.071 0.000 0.933 355 N CB 1.053 39.560 38.487 0.034 0.000 1.143 355 N HN 0.150 nan 8.380 nan 0.000 0.453 356 I N 1.777 122.422 120.570 0.126 0.000 2.582 356 I HA 0.403 4.572 4.170 -0.000 0.000 0.292 356 I C 0.058 176.265 176.117 0.149 0.000 1.066 356 I CA -0.467 60.898 61.300 0.107 0.000 1.053 356 I CB 1.743 39.780 38.000 0.062 0.000 1.241 356 I HN 0.277 nan 8.210 nan 0.000 0.421 357 I N 5.225 125.858 120.570 0.106 0.000 2.336 357 I HA 0.386 4.555 4.170 -0.000 0.000 0.292 357 I C 0.382 176.563 176.117 0.105 0.000 0.991 357 I CA -0.603 60.772 61.300 0.126 0.000 1.227 357 I CB 1.252 39.298 38.000 0.077 0.000 1.366 357 I HN 0.446 nan 8.210 nan 0.000 0.466 358 R N 7.424 128.013 120.500 0.147 0.000 2.265 358 R HA 0.519 4.858 4.340 -0.000 0.000 0.328 358 R C -1.290 175.078 176.300 0.113 0.000 0.969 358 R CA -0.665 55.475 56.100 0.068 0.000 0.832 358 R CB 0.842 31.111 30.300 -0.052 0.000 1.139 358 R HN 0.621 nan 8.270 nan 0.000 0.457 359 L N 3.858 125.128 121.223 0.078 0.000 2.261 359 L HA 0.302 4.642 4.340 -0.000 0.000 0.289 359 L C -0.223 176.712 176.870 0.110 0.000 1.059 359 L CA -0.380 54.519 54.840 0.098 0.000 0.816 359 L CB 1.625 43.726 42.059 0.070 0.000 1.191 359 L HN 0.574 nan 8.230 nan 0.000 0.431 360 S N 5.025 120.826 115.700 0.169 0.000 2.404 360 S HA 0.488 4.958 4.470 -0.000 0.000 0.309 360 S C 0.082 174.821 174.600 0.230 0.000 1.076 360 S CA -0.642 57.705 58.200 0.246 0.000 1.095 360 S CB 0.609 64.016 63.200 0.344 0.000 0.972 360 S HN 0.382 nan 8.310 nan 0.000 0.484 361 L N 3.754 125.083 121.223 0.177 0.000 2.436 361 L HA 0.391 4.731 4.340 -0.000 0.000 0.265 361 L C 0.481 177.487 176.870 0.227 0.000 1.168 361 L CA -0.396 54.529 54.840 0.142 0.000 0.815 361 L CB 0.471 42.562 42.059 0.053 0.000 1.109 361 L HN 0.717 nan 8.230 nan 0.000 0.462 362 N N -2.166 116.638 118.700 0.174 0.000 2.571 362 N HA 0.226 4.965 4.740 -0.000 0.000 0.273 362 N C 0.074 175.666 175.510 0.137 0.000 1.340 362 N CA -0.447 52.718 53.050 0.192 0.000 0.789 362 N CB 1.218 39.812 38.487 0.179 0.000 1.514 362 N HN 0.400 nan 8.380 nan 0.000 0.499 363 S N -1.879 113.914 115.700 0.155 0.000 2.595 363 S HA -0.046 4.423 4.470 -0.000 0.000 0.235 363 S C -0.003 174.747 174.600 0.249 0.000 0.974 363 S CA 0.589 58.910 58.200 0.202 0.000 0.942 363 S CB -0.428 62.883 63.200 0.185 0.000 0.766 363 S HN 0.576 nan 8.310 nan 0.000 0.536 364 D N 1.052 121.553 120.400 0.167 0.000 2.369 364 D HA 0.246 4.886 4.640 -0.000 0.000 0.211 364 D C -0.032 176.353 176.300 0.141 0.000 1.077 364 D CA -0.010 54.070 54.000 0.134 0.000 0.842 364 D CB 0.560 41.412 40.800 0.086 0.000 0.947 364 D HN 0.259 nan 8.370 nan 0.000 0.509 365 V N 2.291 122.298 119.914 0.155 0.000 2.686 365 V HA 0.184 4.304 4.120 -0.000 0.000 0.295 365 V C 0.441 176.659 176.094 0.205 0.000 1.055 365 V CA -0.582 61.796 62.300 0.131 0.000 1.050 365 V CB 1.034 32.907 31.823 0.083 0.000 0.984 365 V HN 0.202 nan 8.190 nan 0.000 0.482 366 N N 1.869 120.661 118.700 0.154 0.000 2.531 366 N HA 0.337 5.077 4.740 -0.000 0.000 0.290 366 N C 0.401 175.977 175.510 0.110 0.000 1.257 366 N CA -0.916 52.237 53.050 0.172 0.000 0.863 366 N CB 0.643 39.199 38.487 0.114 0.000 1.320 366 N HN 0.385 nan 8.380 nan 0.000 0.538 367 D N -0.191 120.274 120.400 0.109 0.000 2.133 367 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 367 D C 1.071 177.403 176.300 0.052 0.000 0.997 367 D CA 1.421 55.464 54.000 0.070 0.000 0.840 367 D CB 0.098 40.937 40.800 0.065 0.000 0.947 367 D HN 0.763 nan 8.370 nan 0.000 0.452 368 E N 0.494 120.726 120.200 0.053 0.000 2.038 368 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 368 E C 2.146 178.774 176.600 0.046 0.000 1.000 368 E CA 1.156 57.583 56.400 0.045 0.000 0.803 368 E CB 0.104 29.829 29.700 0.042 0.000 0.750 368 E HN 0.310 nan 8.360 nan 0.000 0.448 369 Q N -0.063 119.769 119.800 0.053 0.000 2.084 369 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 369 Q C 2.291 178.321 176.000 0.050 0.000 0.978 369 Q CA 1.303 57.140 55.803 0.055 0.000 0.844 369 Q CB -0.056 28.720 28.738 0.063 0.000 0.898 369 Q HN 0.359 nan 8.270 nan 0.000 0.426 370 I N 0.946 121.542 120.570 0.043 0.000 2.127 370 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 370 I C 2.425 178.560 176.117 0.030 0.000 1.075 370 I CA 1.595 62.913 61.300 0.031 0.000 1.334 370 I CB -1.670 36.341 38.000 0.018 0.000 1.040 370 I HN 0.171 nan 8.210 nan 0.000 0.405 371 A N 0.603 123.442 122.820 0.032 0.000 1.927 371 A HA -0.302 4.017 4.320 -0.000 0.000 0.220 371 A C 2.468 180.075 177.584 0.037 0.000 1.185 371 A CA 2.422 54.478 52.037 0.031 0.000 0.639 371 A CB -0.693 18.326 19.000 0.032 0.000 0.820 371 A HN 0.453 nan 8.150 nan 0.000 0.451 372 K N -0.573 119.853 120.400 0.043 0.000 2.062 372 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 372 K C 1.799 178.432 176.600 0.054 0.000 1.051 372 K CA 1.299 57.615 56.287 0.050 0.000 0.941 372 K CB -0.288 32.243 32.500 0.052 0.000 0.719 372 K HN 0.506 nan 8.250 nan 0.000 0.440 373 I N 0.964 121.565 120.570 0.051 0.000 2.179 373 I HA -0.305 3.864 4.170 -0.000 0.000 0.242 373 I C 2.136 178.277 176.117 0.040 0.000 1.088 373 I CA 1.258 62.589 61.300 0.051 0.000 1.357 373 I CB -0.238 37.789 38.000 0.046 0.000 1.051 373 I HN 0.166 nan 8.210 nan 0.000 0.409 374 I N 0.419 121.006 120.570 0.028 0.000 2.163 374 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 374 I C 2.696 178.829 176.117 0.027 0.000 1.085 374 I CA 1.599 62.908 61.300 0.014 0.000 1.347 374 I CB -0.469 37.536 38.000 0.007 0.000 1.044 374 I HN 0.320 nan 8.210 nan 0.000 0.408 375 E N 0.984 121.210 120.200 0.043 0.000 2.051 375 E HA -0.201 4.148 4.350 -0.000 0.000 0.192 375 E C 2.326 178.981 176.600 0.092 0.000 0.991 375 E CA 1.654 58.090 56.400 0.060 0.000 0.799 375 E CB 0.113 29.850 29.700 0.061 0.000 0.748 375 E HN 0.289 nan 8.360 nan 0.000 0.449 376 V N 0.622 120.597 119.914 0.103 0.000 2.407 376 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 376 V C 2.518 178.740 176.094 0.213 0.000 1.055 376 V CA 1.592 63.989 62.300 0.161 0.000 1.049 376 V CB -0.440 31.458 31.823 0.125 0.000 0.662 376 V HN 0.512 nan 8.190 nan 0.000 0.455 377 C N -0.839 118.533 119.300 0.119 0.000 2.450 377 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 377 C C 3.223 178.225 174.990 0.021 0.000 1.335 377 C CA 1.257 60.314 59.018 0.065 0.000 1.749 377 C CB -0.844 26.872 27.740 -0.040 0.000 1.963 377 C HN 0.653 nan 8.230 nan 0.000 0.501 378 S N 0.979 116.690 115.700 0.019 0.000 2.348 378 S HA -0.188 4.282 4.470 -0.000 0.000 0.221 378 S C 1.601 176.170 174.600 -0.050 0.000 1.033 378 S CA 1.920 60.106 58.200 -0.024 0.000 1.010 378 S CB -0.451 62.746 63.200 -0.006 0.000 0.891 378 S HN 0.559 nan 8.310 nan 0.000 0.442 379 D N 1.496 121.929 120.400 0.055 0.000 2.116 379 D HA -0.126 4.513 4.640 -0.000 0.000 0.193 379 D C 2.261 178.556 176.300 -0.007 0.000 0.998 379 D CA 1.484 55.542 54.000 0.097 0.000 0.836 379 D CB -0.681 40.352 40.800 0.388 0.000 0.951 379 D HN 0.529 nan 8.370 nan 0.000 0.449 380 A N 0.838 123.719 122.820 0.102 0.000 1.908 380 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 380 A C 2.621 180.223 177.584 0.030 0.000 1.181 380 A CA 1.426 53.445 52.037 -0.031 0.000 0.627 380 A CB -0.817 18.377 19.000 0.324 0.000 0.818 380 A HN 0.162 nan 8.150 nan 0.000 0.445 381 V N 0.407 120.345 119.914 0.041 0.000 2.343 381 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 381 V C 2.172 178.183 176.094 -0.139 0.000 1.051 381 V CA 2.436 64.749 62.300 0.021 0.000 1.036 381 V CB -1.089 30.699 31.823 -0.058 0.000 0.654 381 V HN 0.658 nan 8.190 nan 0.000 0.451 382 N N -0.657 117.851 118.700 -0.319 0.000 2.202 382 N HA -0.046 4.694 4.740 -0.000 0.000 0.191 382 N C 1.567 176.799 175.510 -0.463 0.000 1.054 382 N CA 1.400 54.151 53.050 -0.498 0.000 0.877 382 N CB -0.451 37.516 38.487 -0.865 0.000 1.057 382 N HN 0.493 nan 8.380 nan 0.000 0.456 383 Y N 0.566 120.797 120.300 -0.114 0.000 2.578 383 Y HA 0.321 4.871 4.550 -0.000 0.000 0.297 383 Y C 1.339 177.058 175.900 -0.302 0.000 1.176 383 Y CA -0.538 57.481 58.100 -0.136 0.000 1.315 383 Y CB -0.859 37.580 38.460 -0.036 0.000 1.031 383 Y HN -0.043 nan 8.280 nan 0.000 0.524 384 G N 0.418 108.906 108.800 -0.520 0.000 2.380 384 G HA2 0.061 4.021 3.960 -0.000 0.000 0.262 384 G HA3 0.061 4.021 3.960 -0.000 0.000 0.262 384 G C -0.612 173.567 174.900 -1.201 0.000 1.243 384 G CA -0.394 43.977 45.100 -1.214 0.000 0.865 384 G HN 0.133 nan 8.290 nan 0.000 0.513 385 D N 1.912 121.773 120.400 -0.899 0.000 2.885 385 D HA 0.280 4.920 4.640 -0.000 0.000 0.234 385 D C -0.157 175.961 176.300 -0.304 0.000 1.129 385 D CA 0.059 53.804 54.000 -0.425 0.000 0.991 385 D CB -0.826 39.894 40.800 -0.133 0.000 1.137 385 D HN 0.308 nan 8.370 nan 0.000 0.459 386 F N -1.542 118.333 119.950 -0.124 0.000 2.807 386 F HA 0.423 4.950 4.527 -0.000 0.000 0.316 386 F C -1.135 174.552 175.800 -0.189 0.000 1.162 386 F CA -1.702 56.179 58.000 -0.198 0.000 0.910 386 F CB 0.527 39.295 39.000 -0.387 0.000 1.314 386 F HN -0.135 nan 8.300 nan 0.000 0.454 387 Y N -0.446 119.846 120.300 -0.013 0.000 2.730 387 Y HA 0.901 5.451 4.550 -0.000 0.000 0.325 387 Y C -1.820 173.884 175.900 -0.326 0.000 1.132 387 Y CA -2.637 55.421 58.100 -0.070 0.000 1.206 387 Y CB 1.325 39.771 38.460 -0.024 0.000 1.390 387 Y HN 0.506 nan 8.280 nan 0.000 0.555 388 F N 0.886 120.988 119.950 0.253 0.000 2.915 388 F HA 0.458 4.985 4.527 -0.000 0.000 0.350 388 F C 0.093 175.998 175.800 0.176 0.000 1.248 388 F CA -1.153 56.915 58.000 0.114 0.000 1.084 388 F CB 1.615 40.654 39.000 0.065 0.000 1.391 388 F HN 0.478 nan 8.300 nan 0.000 0.548 389 R N 0.000 120.701 120.500 0.335 0.000 2.786 389 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 389 R CA 0.000 56.239 56.100 0.233 0.000 0.921 389 R CB 0.000 30.408 30.300 0.180 0.000 0.687 389 R HN 0.000 nan 8.270 nan 0.000 0.535