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 2j7w_1_A DATA FIRST_RESID 273 DATA SEQUENCE MDVIGERIKR IKEEHNSTWH YDDENPYKTW AYHGSYEXXX XXXXSSMING DATA SEQUENCE VVKLLTKPWD VVPMVTQMAM TDTTPFGQQR VFKEKVDTRT PRPLPGTRKV DATA SEQUENCE MEITAEWLWR TLGRNKRPRL CTREEFTKKV RTNAAXXXXX XXXXXXXSAK DATA SEQUENCE AAVEDEEFWK LVDRERELHK LGKCGSCVXX XXXXXXXXXX XXXXXXXXXA DATA SEQUENCE IWYMWLGARY LEFEALGFLN EDHWFSRENS YSGVEGEGLH KLGYILRDIS DATA SEQUENCE KIPGGAMYAD DTAGWDTRIT EDDLHNEEKI IQQMDPEHRQ LANAIFKLTY DATA SEQUENCE QNKVVKVQRP TPTGTVMDII SRKDQRGSGQ VGTYGLNTFT NMEAQLVRQM DATA SEQUENCE EGEGVLTKAD LENPHLLEKK ITQWLETKGV ERLKRMAISG DDCVVKPIDD DATA SEQUENCE RFANALLALN DMGKVRKDIP QWQPSKGWHD WQQVPFCSHH FHELIMKDGR DATA SEQUENCE KLVVPCRPQD ELIGRARISQ GAGWSLRETA CLGKAYAQMW SLMYFHRRDL DATA SEQUENCE RLASNAICSA VPVHWVPTSR TTWSIHAHHQ WMTTEDMLTV WNRVWIEENP DATA SEQUENCE WMEDKTPVTT WENVPYLGKR EDQWCGSLIG LTSRATWAQN IPTAIQQVRS DATA SEQUENCE LIGNEEFLDY M 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 273 M HA 0.000 nan 4.480 nan 0.000 0.227 273 M C 0.000 176.302 176.300 0.003 0.000 1.140 273 M CA 0.000 55.318 55.300 0.030 0.000 0.988 273 M CB 0.000 32.623 32.600 0.039 0.000 1.302 274 D N 1.457 121.856 120.400 -0.001 0.000 2.106 274 D HA 0.118 4.760 4.640 0.002 0.000 0.203 274 D C 0.866 177.153 176.300 -0.021 0.000 0.977 274 D CA 1.221 55.213 54.000 -0.013 0.000 0.844 274 D CB 0.112 40.907 40.800 -0.009 0.000 1.002 274 D HN 0.467 nan 8.370 nan 0.000 0.461 275 V N 0.530 120.435 119.914 -0.015 0.000 1.909 275 V HA 0.346 4.468 4.120 0.002 0.000 0.253 275 V C 0.549 176.631 176.094 -0.021 0.000 1.734 275 V CA 0.661 62.950 62.300 -0.019 0.000 1.661 275 V CB -0.349 31.464 31.823 -0.017 0.000 1.552 275 V HN 0.509 nan 8.190 nan 0.000 0.506 276 I N 0.404 120.955 120.570 -0.032 0.000 5.143 276 I HA 0.235 4.406 4.170 0.002 0.000 0.390 276 I C 2.063 178.138 176.117 -0.070 0.000 1.080 276 I CA 1.126 62.403 61.300 -0.038 0.000 1.551 276 I CB 0.020 38.003 38.000 -0.028 0.000 2.242 276 I HN 0.314 nan 8.210 nan 0.000 0.724 277 G N 0.496 109.248 108.800 -0.079 0.000 2.469 277 G HA2 -0.335 3.626 3.960 0.002 0.000 0.219 277 G HA3 -0.335 3.626 3.960 0.002 0.000 0.219 277 G C 1.325 176.176 174.900 -0.082 0.000 1.150 277 G CA 1.477 46.519 45.100 -0.097 0.000 0.763 277 G HN 0.424 nan 8.290 nan 0.000 0.561 278 E N 0.286 120.452 120.200 -0.058 0.000 2.070 278 E HA -0.141 4.210 4.350 0.002 0.000 0.197 278 E C 2.640 179.211 176.600 -0.048 0.000 1.004 278 E CA 1.278 57.649 56.400 -0.049 0.000 0.805 278 E CB -0.142 29.540 29.700 -0.030 0.000 0.744 278 E HN 0.440 nan 8.360 nan 0.000 0.451 279 R N -0.526 119.955 120.500 -0.033 0.000 2.148 279 R HA -0.002 4.339 4.340 0.002 0.000 0.223 279 R C 2.073 178.358 176.300 -0.025 0.000 1.088 279 R CA 0.790 56.882 56.100 -0.013 0.000 0.985 279 R CB -0.054 30.257 30.300 0.018 0.000 0.880 279 R HN 0.235 nan 8.270 nan 0.000 0.451 280 I N 1.205 121.740 120.570 -0.057 0.000 2.252 280 I HA -0.211 3.960 4.170 0.002 0.000 0.245 280 I C 1.666 177.696 176.117 -0.144 0.000 1.102 280 I CA 1.588 62.841 61.300 -0.077 0.000 1.385 280 I CB -0.607 37.300 38.000 -0.157 0.000 1.064 280 I HN 0.103 nan 8.210 nan 0.000 0.414 281 K N -0.066 120.248 120.400 -0.145 0.000 2.366 281 K HA -0.020 4.301 4.320 0.002 0.000 0.198 281 K C 2.170 178.653 176.600 -0.194 0.000 1.044 281 K CA 0.452 56.630 56.287 -0.181 0.000 0.973 281 K CB 0.148 32.569 32.500 -0.131 0.000 0.767 281 K HN 0.256 nan 8.250 nan 0.000 0.475 282 R N 0.384 120.799 120.500 -0.141 0.000 2.080 282 R HA 0.073 4.415 4.340 0.002 0.000 0.222 282 R C 2.064 178.287 176.300 -0.128 0.000 1.107 282 R CA 0.725 56.755 56.100 -0.116 0.000 0.980 282 R CB 0.029 30.292 30.300 -0.061 0.000 0.879 282 R HN 0.087 nan 8.270 nan 0.000 0.439 283 I N 1.330 121.838 120.570 -0.103 0.000 2.439 283 I HA -0.195 3.976 4.170 0.002 0.000 0.251 283 I C 2.321 178.269 176.117 -0.281 0.000 1.139 283 I CA 1.113 62.395 61.300 -0.031 0.000 1.438 283 I CB -0.944 37.119 38.000 0.105 0.000 1.085 283 I HN 0.160 nan 8.210 nan 0.000 0.427 284 K N 1.290 121.271 120.400 -0.700 0.000 2.063 284 K HA -0.266 4.055 4.320 0.002 0.000 0.208 284 K C 2.045 178.268 176.600 -0.628 0.000 1.048 284 K CA 1.923 57.458 56.287 -1.253 0.000 0.928 284 K CB 0.096 31.924 32.500 -1.120 0.000 0.713 284 K HN 0.179 nan 8.250 nan 0.000 0.442 285 E N 0.887 120.858 120.200 -0.382 0.000 2.031 285 E HA -0.195 4.156 4.350 0.002 0.000 0.193 285 E C 1.900 178.364 176.600 -0.226 0.000 0.994 285 E CA 1.639 57.888 56.400 -0.251 0.000 0.800 285 E CB -0.003 29.585 29.700 -0.186 0.000 0.752 285 E HN 0.332 nan 8.360 nan 0.000 0.447 286 E N -0.902 119.144 120.200 -0.258 0.000 2.107 286 E HA -0.131 4.220 4.350 0.002 0.000 0.191 286 E C 0.633 176.956 176.600 -0.461 0.000 0.982 286 E CA 0.643 56.824 56.400 -0.365 0.000 0.809 286 E CB 0.043 29.462 29.700 -0.468 0.000 0.756 286 E HN 0.468 nan 8.360 nan 0.000 0.459 287 H N 0.037 118.967 119.070 -0.232 0.000 2.550 287 H HA 0.095 4.652 4.556 0.002 0.000 0.304 287 H C 0.696 176.053 175.328 0.049 0.000 1.086 287 H CA -0.108 55.829 56.048 -0.184 0.000 1.089 287 H CB 0.098 29.509 29.762 -0.584 0.000 1.528 287 H HN 0.120 nan 8.280 nan 0.000 0.539 288 N N 0.482 119.204 118.700 0.037 0.000 2.396 288 N HA -0.097 4.644 4.740 0.002 0.000 0.180 288 N C 1.506 177.117 175.510 0.169 0.000 1.028 288 N CA 0.490 53.597 53.050 0.095 0.000 0.893 288 N CB 0.273 38.743 38.487 -0.028 0.000 0.967 288 N HN 0.045 nan 8.380 nan 0.000 0.440 289 S N -1.477 114.299 115.700 0.127 0.000 2.507 289 S HA -0.050 4.421 4.470 0.002 0.000 0.235 289 S C 0.988 175.702 174.600 0.190 0.000 0.988 289 S CA 1.414 59.690 58.200 0.127 0.000 0.944 289 S CB -0.112 63.137 63.200 0.081 0.000 0.762 289 S HN 0.671 nan 8.310 nan 0.000 0.526 290 T N -3.563 111.163 114.554 0.287 0.000 3.328 290 T HA 0.160 4.512 4.350 0.002 0.000 0.305 290 T C -0.313 174.651 174.700 0.440 0.000 0.939 290 T CA -0.555 61.744 62.100 0.332 0.000 0.950 290 T CB -0.136 68.941 68.868 0.349 0.000 1.182 290 T HN 0.380 nan 8.240 nan 0.000 0.545 291 W N 4.877 126.315 121.300 0.230 0.000 2.261 291 W HA 0.475 5.136 4.660 0.002 0.000 0.323 291 W C -0.351 176.312 176.519 0.240 0.000 1.243 291 W CA 0.322 57.781 57.345 0.189 0.000 1.210 291 W CB 0.610 30.147 29.460 0.128 0.000 1.149 291 W HN 0.541 nan 8.180 nan 0.000 0.562 292 H N 2.701 121.550 119.070 -0.368 0.000 2.883 292 H HA 0.256 4.813 4.556 0.002 0.000 0.277 292 H C -2.085 173.100 175.328 -0.240 0.000 1.451 292 H CA -0.819 55.138 56.048 -0.153 0.000 1.157 292 H CB 1.266 30.976 29.762 -0.087 0.000 1.851 292 H HN 0.455 nan 8.280 nan 0.000 0.566 293 Y N 0.212 120.520 120.300 0.013 0.000 2.338 293 Y HA 0.459 5.010 4.550 0.002 0.000 0.333 293 Y C -1.061 175.007 175.900 0.280 0.000 0.968 293 Y CA -1.050 57.086 58.100 0.060 0.000 1.123 293 Y CB 1.645 40.145 38.460 0.065 0.000 1.165 293 Y HN 0.495 nan 8.280 nan 0.000 0.452 294 D N 3.158 123.768 120.400 0.350 0.000 2.264 294 D HA 0.093 4.734 4.640 0.002 0.000 0.250 294 D C -0.025 176.331 176.300 0.092 0.000 1.113 294 D CA 0.105 54.198 54.000 0.156 0.000 0.871 294 D CB 1.385 42.267 40.800 0.137 0.000 1.167 294 D HN 0.812 nan 8.370 nan 0.000 0.447 295 D N 2.082 122.479 120.400 -0.005 0.000 2.347 295 D HA -0.041 4.600 4.640 0.002 0.000 0.213 295 D C 0.275 176.559 176.300 -0.026 0.000 0.985 295 D CA 0.576 54.588 54.000 0.019 0.000 0.879 295 D CB 0.412 41.211 40.800 -0.003 0.000 0.919 295 D HN 0.562 nan 8.370 nan 0.000 0.526 296 E N 1.314 121.475 120.200 -0.065 0.000 2.411 296 E HA 0.033 4.384 4.350 0.002 0.000 0.204 296 E C -0.056 176.448 176.600 -0.161 0.000 1.059 296 E CA -0.367 55.977 56.400 -0.093 0.000 1.112 296 E CB 0.006 29.659 29.700 -0.079 0.000 1.168 296 E HN 0.275 nan 8.360 nan 0.000 0.445 297 N N 1.084 119.651 118.700 -0.222 0.000 2.497 297 N HA 0.070 4.812 4.740 0.002 0.000 0.271 297 N C -2.237 173.035 175.510 -0.396 0.000 1.142 297 N CA -1.252 51.573 53.050 -0.375 0.000 0.965 297 N CB 1.091 39.211 38.487 -0.612 0.000 1.077 297 N HN -0.161 nan 8.380 nan 0.000 0.462 298 P HA 0.163 nan 4.420 nan 0.000 0.249 298 P C -1.115 175.836 177.300 -0.582 0.000 1.593 298 P CA -0.038 62.734 63.100 -0.547 0.000 0.896 298 P CB -0.669 30.718 31.700 -0.523 0.000 1.581 299 Y N -0.397 119.861 120.300 -0.070 0.000 2.402 299 Y HA 0.513 5.064 4.550 0.002 0.000 0.332 299 Y C 1.544 177.480 175.900 0.060 0.000 0.960 299 Y CA -0.744 57.372 58.100 0.027 0.000 1.228 299 Y CB 1.160 39.649 38.460 0.048 0.000 1.120 299 Y HN -0.169 nan 8.280 nan 0.000 0.491 300 K N 0.292 120.813 120.400 0.202 0.000 2.360 300 K HA 0.121 4.443 4.320 0.002 0.000 0.196 300 K C 1.180 177.858 176.600 0.129 0.000 1.049 300 K CA 1.228 57.591 56.287 0.128 0.000 1.049 300 K CB 0.753 33.298 32.500 0.075 0.000 0.881 300 K HN 0.652 nan 8.250 nan 0.000 0.542 301 T N -2.050 112.612 114.554 0.180 0.000 3.029 301 T HA 0.172 4.523 4.350 0.002 0.000 0.256 301 T C -1.049 173.698 174.700 0.078 0.000 0.914 301 T CA -0.395 61.762 62.100 0.096 0.000 0.880 301 T CB -0.054 68.832 68.868 0.031 0.000 1.246 301 T HN 0.510 nan 8.240 nan 0.000 0.523 302 W N 3.527 124.886 121.300 0.098 0.000 2.581 302 W HA 0.661 5.322 4.660 0.002 0.000 0.359 302 W C 0.661 177.204 176.519 0.040 0.000 1.167 302 W CA -0.691 56.690 57.345 0.059 0.000 1.517 302 W CB -0.141 29.342 29.460 0.039 0.000 1.519 302 W HN 0.279 nan 8.180 nan 0.000 0.431 303 A N 4.488 127.406 122.820 0.164 0.000 2.567 303 A HA 0.036 4.357 4.320 0.002 0.000 0.240 303 A C -1.162 176.439 177.584 0.029 0.000 1.053 303 A CA 0.420 52.497 52.037 0.067 0.000 0.755 303 A CB -0.102 18.895 19.000 -0.005 0.000 0.978 303 A HN 0.608 nan 8.150 nan 0.000 0.507 304 Y N 2.340 122.512 120.300 -0.214 0.000 2.409 304 Y HA 0.528 5.079 4.550 0.002 0.000 0.343 304 Y C 0.610 176.312 175.900 -0.329 0.000 0.973 304 Y CA -0.634 57.350 58.100 -0.194 0.000 1.064 304 Y CB 1.420 39.880 38.460 0.001 0.000 1.207 304 Y HN 0.781 nan 8.280 nan 0.000 0.452 305 H N 3.134 121.835 119.070 -0.614 0.000 3.017 305 H HA 0.469 5.026 4.556 0.002 0.000 0.255 305 H C 0.509 175.472 175.328 -0.608 0.000 0.990 305 H CA 0.564 56.353 56.048 -0.432 0.000 1.205 305 H CB 1.625 31.311 29.762 -0.126 0.000 1.460 305 H HN 0.780 nan 8.280 nan 0.000 0.478 306 G N 0.093 108.278 108.800 -1.025 0.000 2.316 306 G HA2 0.316 4.277 3.960 0.002 0.000 0.296 306 G HA3 0.316 4.277 3.960 0.002 0.000 0.296 306 G C -1.571 172.908 174.900 -0.700 0.000 1.399 306 G CA -0.043 44.584 45.100 -0.789 0.000 0.833 306 G HN 0.186 nan 8.290 nan 0.000 0.565 307 S N -1.395 113.741 115.700 -0.940 0.000 2.579 307 S HA 0.825 5.296 4.470 0.002 0.000 0.272 307 S C -1.489 172.530 174.600 -0.968 0.000 1.141 307 S CA -0.618 57.153 58.200 -0.714 0.000 0.843 307 S CB 1.390 64.428 63.200 -0.271 0.000 1.122 307 S HN 1.742 nan 8.310 nan 0.000 0.468 308 Y N 0.694 120.719 120.300 -0.457 0.000 2.485 308 Y HA 0.914 5.465 4.550 0.002 0.000 0.345 308 Y C -0.189 175.727 175.900 0.027 0.000 0.998 308 Y CA -0.623 57.393 58.100 -0.140 0.000 1.059 308 Y CB 0.919 39.500 38.460 0.201 0.000 1.234 308 Y HN 0.965 nan 8.280 nan 0.000 0.461 318 S N 1.030 116.729 115.700 -0.002 0.000 2.288 318 S HA 0.547 5.018 4.470 0.002 0.000 0.258 318 S C -0.354 174.275 174.600 0.048 0.000 0.919 318 S CA -0.555 57.662 58.200 0.029 0.000 1.010 318 S CB -0.762 62.472 63.200 0.056 0.000 1.231 318 S HN 1.625 nan 8.310 nan 0.000 0.403 319 M N 2.306 121.940 119.600 0.057 0.000 2.159 319 M HA 0.666 5.147 4.480 0.002 0.000 0.293 319 M C -0.332 176.023 176.300 0.093 0.000 1.186 319 M CA -0.780 54.560 55.300 0.068 0.000 1.073 319 M CB 0.171 32.811 32.600 0.066 0.000 1.419 319 M HN 0.432 nan 8.290 nan 0.000 0.490 320 I N 1.735 122.352 120.570 0.077 0.000 2.581 320 I HA 0.110 4.281 4.170 0.002 0.000 0.288 320 I C 0.166 176.336 176.117 0.090 0.000 1.047 320 I CA -0.119 61.223 61.300 0.071 0.000 1.374 320 I CB 0.136 38.169 38.000 0.054 0.000 1.423 320 I HN 0.786 nan 8.210 nan 0.000 0.549 321 N N 4.124 122.868 118.700 0.074 0.000 2.415 321 N HA 0.075 4.816 4.740 0.002 0.000 0.250 321 N C 1.123 176.671 175.510 0.063 0.000 1.127 321 N CA 0.154 53.249 53.050 0.075 0.000 0.945 321 N CB 1.188 39.702 38.487 0.045 0.000 1.196 321 N HN 0.807 nan 8.380 nan 0.000 0.499 322 G N 2.778 111.624 108.800 0.078 0.000 2.442 322 G HA2 -0.200 3.761 3.960 0.002 0.000 0.219 322 G HA3 -0.200 3.761 3.960 0.002 0.000 0.219 322 G C 1.483 176.425 174.900 0.071 0.000 1.141 322 G CA 0.727 45.871 45.100 0.072 0.000 0.763 322 G HN 0.465 nan 8.290 nan 0.000 0.554 323 V N 0.570 120.528 119.914 0.074 0.000 2.237 323 V HA -0.192 3.929 4.120 0.002 0.000 0.245 323 V C 3.038 179.172 176.094 0.066 0.000 1.046 323 V CA 1.701 64.045 62.300 0.073 0.000 1.007 323 V CB -0.670 31.201 31.823 0.080 0.000 0.638 323 V HN 0.254 nan 8.190 nan 0.000 0.445 324 V N 0.136 120.077 119.914 0.045 0.000 2.343 324 V HA -0.311 3.810 4.120 0.002 0.000 0.247 324 V C 2.421 178.551 176.094 0.059 0.000 1.051 324 V CA 2.418 64.736 62.300 0.030 0.000 1.036 324 V CB -0.785 31.013 31.823 -0.041 0.000 0.654 324 V HN 0.592 nan 8.190 nan 0.000 0.451 325 K N 0.105 120.537 120.400 0.054 0.000 1.991 325 K HA -0.198 4.124 4.320 0.002 0.000 0.212 325 K C 2.257 178.913 176.600 0.093 0.000 1.049 325 K CA 1.814 58.140 56.287 0.065 0.000 0.932 325 K CB -0.352 32.181 32.500 0.055 0.000 0.717 325 K HN 0.367 nan 8.250 nan 0.000 0.441 326 L N 0.939 122.218 121.223 0.093 0.000 2.089 326 L HA -0.208 4.133 4.340 0.002 0.000 0.213 326 L C 1.963 178.935 176.870 0.170 0.000 1.079 326 L CA 1.262 56.167 54.840 0.109 0.000 0.758 326 L CB -0.159 41.953 42.059 0.087 0.000 0.891 326 L HN 0.338 nan 8.230 nan 0.000 0.433 327 L N -1.238 120.102 121.223 0.195 0.000 2.611 327 L HA 0.045 4.386 4.340 0.002 0.000 0.229 327 L C 0.886 178.046 176.870 0.484 0.000 1.137 327 L CA 0.273 55.309 54.840 0.327 0.000 0.901 327 L CB -0.208 41.995 42.059 0.240 0.000 1.098 327 L HN 0.256 nan 8.230 nan 0.000 0.456 328 T N -5.444 109.267 114.554 0.261 0.000 3.487 328 T HA 0.123 4.474 4.350 0.002 0.000 0.287 328 T C 1.060 175.820 174.700 0.101 0.000 1.004 328 T CA -0.530 61.656 62.100 0.144 0.000 0.977 328 T CB 0.391 69.297 68.868 0.063 0.000 1.180 328 T HN 0.004 nan 8.240 nan 0.000 0.490 329 K N 1.663 122.067 120.400 0.006 0.000 2.059 329 K HA -0.086 4.235 4.320 0.002 0.000 0.212 329 K C -1.039 175.463 176.600 -0.164 0.000 1.050 329 K CA 1.715 57.986 56.287 -0.027 0.000 0.927 329 K CB -0.815 31.713 32.500 0.047 0.000 0.714 329 K HN 0.308 nan 8.250 nan 0.000 0.447 330 P HA -0.165 nan 4.420 nan 0.000 0.221 330 P C 0.207 177.115 177.300 -0.653 0.000 1.145 330 P CA 0.993 63.705 63.100 -0.647 0.000 0.795 330 P CB -0.050 30.961 31.700 -1.148 0.000 0.775 331 W N -0.611 120.520 121.300 -0.282 0.000 3.345 331 W HA 0.062 4.724 4.660 0.002 0.000 0.282 331 W C 0.618 177.059 176.519 -0.129 0.000 1.302 331 W CA 0.056 57.283 57.345 -0.197 0.000 1.724 331 W CB -0.383 28.951 29.460 -0.209 0.000 1.104 331 W HN 0.077 nan 8.180 nan 0.000 0.694 332 D N 0.587 120.997 120.400 0.017 0.000 2.218 332 D HA -0.147 4.494 4.640 0.002 0.000 0.204 332 D C 2.285 178.578 176.300 -0.012 0.000 0.976 332 D CA 1.500 55.506 54.000 0.009 0.000 0.853 332 D CB -0.220 40.573 40.800 -0.011 0.000 0.939 332 D HN 0.139 nan 8.370 nan 0.000 0.481 333 V N -1.618 118.264 119.914 -0.054 0.000 2.341 333 V HA 0.018 4.139 4.120 0.002 0.000 0.240 333 V C 1.367 177.441 176.094 -0.034 0.000 1.035 333 V CA -0.179 62.087 62.300 -0.056 0.000 1.033 333 V CB -1.093 30.676 31.823 -0.089 0.000 0.678 333 V HN -0.130 nan 8.190 nan 0.000 0.464 334 V N 2.917 122.806 119.914 -0.043 0.000 2.971 334 V HA -0.109 4.012 4.120 0.002 0.000 0.289 334 V C -0.719 175.386 176.094 0.018 0.000 1.298 334 V CA 0.686 62.986 62.300 -0.001 0.000 1.374 334 V CB -0.437 31.435 31.823 0.082 0.000 0.823 334 V HN 0.453 nan 8.190 nan 0.000 0.473 335 P HA -0.178 nan 4.420 nan 0.000 0.215 335 P C 1.733 179.043 177.300 0.017 0.000 1.157 335 P CA 1.065 64.171 63.100 0.009 0.000 0.868 335 P CB 0.008 31.710 31.700 0.003 0.000 0.788 336 M N -0.403 119.210 119.600 0.021 0.000 2.149 336 M HA -0.117 4.364 4.480 0.002 0.000 0.261 336 M C 1.708 178.020 176.300 0.020 0.000 1.064 336 M CA 1.772 57.083 55.300 0.019 0.000 1.102 336 M CB -1.259 31.349 32.600 0.014 0.000 1.369 336 M HN -0.291 nan 8.290 nan 0.000 0.408 337 V N -0.341 119.594 119.914 0.035 0.000 2.261 337 V HA -0.291 3.830 4.120 0.002 0.000 0.246 337 V C 2.220 178.329 176.094 0.026 0.000 1.047 337 V CA 2.372 64.692 62.300 0.033 0.000 1.015 337 V CB -1.476 30.391 31.823 0.074 0.000 0.642 337 V HN 0.544 nan 8.190 nan 0.000 0.446 338 T N -0.573 113.997 114.554 0.026 0.000 2.759 338 T HA -0.296 4.056 4.350 0.002 0.000 0.269 338 T C 1.936 176.649 174.700 0.021 0.000 1.042 338 T CA 1.924 64.037 62.100 0.021 0.000 1.140 338 T CB -0.271 68.606 68.868 0.015 0.000 0.864 338 T HN 0.460 nan 8.240 nan 0.000 0.455 339 Q N 0.781 120.593 119.800 0.020 0.000 2.124 339 Q HA 0.055 4.396 4.340 0.002 0.000 0.202 339 Q C 2.055 178.071 176.000 0.027 0.000 0.977 339 Q CA 1.539 57.356 55.803 0.022 0.000 0.850 339 Q CB -0.384 28.367 28.738 0.021 0.000 0.901 339 Q HN 0.536 nan 8.270 nan 0.000 0.429 340 M N -0.928 118.687 119.600 0.025 0.000 2.349 340 M HA 0.081 4.562 4.480 0.002 0.000 0.266 340 M C 1.549 177.869 176.300 0.033 0.000 1.076 340 M CA 0.944 56.262 55.300 0.030 0.000 1.126 340 M CB 0.039 32.651 32.600 0.020 0.000 1.392 340 M HN 0.249 nan 8.290 nan 0.000 0.440 341 A N 0.331 123.167 122.820 0.028 0.000 2.265 341 A HA 0.220 4.542 4.320 0.002 0.000 0.213 341 A C 0.488 178.092 177.584 0.033 0.000 1.255 341 A CA 0.330 52.386 52.037 0.031 0.000 0.862 341 A CB -0.666 18.350 19.000 0.027 0.000 0.852 341 A HN 0.392 nan 8.150 nan 0.000 0.484 342 M N 0.331 119.952 119.600 0.035 0.000 2.190 342 M HA 0.497 4.978 4.480 0.002 0.000 0.312 342 M C -0.125 176.200 176.300 0.041 0.000 0.990 342 M CA 0.227 55.548 55.300 0.034 0.000 0.927 342 M CB 2.177 34.796 32.600 0.031 0.000 1.571 342 M HN 0.227 nan 8.290 nan 0.000 0.427 343 T N 0.175 114.753 114.554 0.039 0.000 2.786 343 T HA 0.621 4.973 4.350 0.002 0.000 0.283 343 T C -0.457 174.267 174.700 0.039 0.000 0.992 343 T CA -0.620 61.505 62.100 0.042 0.000 0.954 343 T CB 0.457 69.348 68.868 0.039 0.000 0.934 343 T HN 0.748 nan 8.240 nan 0.000 0.440 344 D N 2.524 122.953 120.400 0.048 0.000 2.458 344 D HA 0.538 5.179 4.640 0.002 0.000 0.258 344 D C 0.959 177.288 176.300 0.048 0.000 1.134 344 D CA 0.056 54.090 54.000 0.056 0.000 0.915 344 D CB 0.419 41.264 40.800 0.076 0.000 1.028 344 D HN 0.512 nan 8.370 nan 0.000 0.508 345 T N -1.151 113.417 114.554 0.023 0.000 3.071 345 T HA 0.041 4.392 4.350 0.002 0.000 0.239 345 T C 2.236 176.917 174.700 -0.032 0.000 0.997 345 T CA 1.139 63.235 62.100 -0.007 0.000 1.134 345 T CB 0.233 69.088 68.868 -0.022 0.000 0.928 345 T HN 0.410 nan 8.240 nan 0.000 0.453 346 T N 2.779 117.316 114.554 -0.027 0.000 2.764 346 T HA 0.062 4.413 4.350 0.002 0.000 0.243 346 T C -0.506 174.158 174.700 -0.059 0.000 1.065 346 T CA 0.673 62.744 62.100 -0.049 0.000 1.219 346 T CB -1.296 67.547 68.868 -0.041 0.000 0.918 346 T HN 0.259 nan 8.240 nan 0.000 0.409 347 P HA 0.114 nan 4.420 nan 0.000 0.214 347 P C -0.150 177.110 177.300 -0.066 0.000 1.162 347 P CA 0.901 63.996 63.100 -0.008 0.000 0.874 347 P CB 0.107 31.859 31.700 0.086 0.000 0.784 348 F N -1.982 117.965 119.950 -0.005 0.000 2.562 348 F HA 0.570 5.098 4.527 0.002 0.000 0.319 348 F C 0.781 176.589 175.800 0.013 0.000 1.154 348 F CA 0.041 58.042 58.000 0.002 0.000 0.931 348 F CB 2.372 41.372 39.000 0.000 0.000 1.198 348 F HN 0.078 nan 8.300 nan 0.000 0.444 349 G N 2.616 111.499 108.800 0.138 0.000 3.288 349 G HA2 -0.099 3.862 3.960 0.002 0.000 0.219 349 G HA3 -0.099 3.862 3.960 0.002 0.000 0.219 349 G C 0.070 175.025 174.900 0.092 0.000 0.944 349 G CA 0.220 45.393 45.100 0.121 0.000 0.854 349 G HN 0.596 nan 8.290 nan 0.000 0.632 350 Q N -1.873 117.942 119.800 0.025 0.000 1.891 350 Q HA 0.287 4.628 4.340 0.002 0.000 0.206 350 Q C 2.141 178.130 176.000 -0.018 0.000 0.710 350 Q CA 1.484 57.307 55.803 0.033 0.000 0.840 350 Q CB 0.197 28.887 28.738 -0.081 0.000 1.211 350 Q HN 0.521 nan 8.270 nan 0.000 0.424 351 Q N -0.156 119.554 119.800 -0.151 0.000 2.269 351 Q HA 0.067 4.409 4.340 0.002 0.000 0.201 351 Q C 1.809 177.713 176.000 -0.161 0.000 0.946 351 Q CA 1.486 57.147 55.803 -0.237 0.000 0.877 351 Q CB -0.462 27.980 28.738 -0.493 0.000 0.963 351 Q HN 0.420 nan 8.270 nan 0.000 0.472 352 R N -0.706 119.752 120.500 -0.070 0.000 2.221 352 R HA 0.470 4.811 4.340 0.002 0.000 0.195 352 R C 2.464 178.821 176.300 0.096 0.000 0.956 352 R CA 0.992 57.141 56.100 0.081 0.000 1.064 352 R CB -0.775 29.703 30.300 0.297 0.000 1.049 352 R HN 0.377 nan 8.270 nan 0.000 0.534 353 V N 0.060 120.048 119.914 0.122 0.000 2.221 353 V HA 0.046 4.168 4.120 0.002 0.000 0.242 353 V C 1.215 177.374 176.094 0.109 0.000 1.041 353 V CA 1.038 63.417 62.300 0.132 0.000 0.995 353 V CB -0.534 31.407 31.823 0.198 0.000 0.635 353 V HN 0.472 nan 8.190 nan 0.000 0.448 354 F N 1.132 121.084 119.950 0.002 0.000 2.668 354 F HA 0.217 4.745 4.527 0.002 0.000 0.365 354 F C 1.404 177.191 175.800 -0.021 0.000 1.165 354 F CA 0.604 58.603 58.000 -0.001 0.000 1.344 354 F CB -0.293 38.700 39.000 -0.011 0.000 1.658 354 F HN 0.047 nan 8.300 nan 0.000 0.620 355 K N -0.516 119.919 120.400 0.059 0.000 2.400 355 K HA 0.006 4.327 4.320 0.002 0.000 0.155 355 K C 1.870 178.483 176.600 0.020 0.000 1.954 355 K CA 1.005 57.310 56.287 0.030 0.000 1.203 355 K CB -0.148 32.359 32.500 0.011 0.000 2.000 355 K HN 0.279 nan 8.250 nan 0.000 0.532 356 E N 1.379 121.589 120.200 0.016 0.000 1.997 356 E HA -0.135 4.216 4.350 0.002 0.000 0.201 356 E C 1.318 177.931 176.600 0.022 0.000 1.011 356 E CA 2.231 58.642 56.400 0.017 0.000 0.847 356 E CB -0.699 29.012 29.700 0.018 0.000 0.787 356 E HN 0.330 nan 8.360 nan 0.000 0.472 357 K N 0.346 120.754 120.400 0.014 0.000 2.598 357 K HA 0.618 4.939 4.320 0.002 0.000 0.226 357 K C 0.614 177.240 176.600 0.042 0.000 1.156 357 K CA 0.303 56.605 56.287 0.026 0.000 1.122 357 K CB 0.254 32.761 32.500 0.011 0.000 1.739 357 K HN 0.315 nan 8.250 nan 0.000 0.472 358 V N -0.958 119.012 119.914 0.093 0.000 3.229 358 V HA 0.067 4.188 4.120 0.002 0.000 0.239 358 V C 0.894 177.188 176.094 0.333 0.000 1.390 358 V CA 0.243 62.650 62.300 0.178 0.000 1.231 358 V CB 1.088 33.004 31.823 0.155 0.000 1.025 358 V HN 0.707 nan 8.190 nan 0.000 0.461 359 D N 2.631 123.223 120.400 0.319 0.000 2.841 359 D HA 0.075 4.716 4.640 0.002 0.000 0.244 359 D C 0.547 176.980 176.300 0.222 0.000 1.228 359 D CA 0.429 54.686 54.000 0.429 0.000 0.872 359 D CB -0.359 40.658 40.800 0.362 0.000 1.082 359 D HN 0.628 nan 8.370 nan 0.000 0.457 360 T N -2.914 111.729 114.554 0.147 0.000 2.908 360 T HA 0.571 4.922 4.350 0.002 0.000 0.290 360 T C 0.291 175.004 174.700 0.021 0.000 1.034 360 T CA -1.076 61.064 62.100 0.067 0.000 1.010 360 T CB 2.032 70.927 68.868 0.044 0.000 1.068 360 T HN -0.056 nan 8.240 nan 0.000 0.481 361 R N 0.479 120.978 120.500 -0.001 0.000 2.549 361 R HA 0.634 4.975 4.340 0.002 0.000 0.267 361 R C -0.369 175.910 176.300 -0.035 0.000 1.045 361 R CA -0.750 55.332 56.100 -0.030 0.000 1.115 361 R CB 1.222 31.506 30.300 -0.027 0.000 1.121 361 R HN 0.698 nan 8.270 nan 0.000 0.543 362 T N 3.045 117.568 114.554 -0.051 0.000 2.807 362 T HA 0.329 4.680 4.350 0.002 0.000 0.279 362 T C -2.290 172.382 174.700 -0.046 0.000 0.993 362 T CA -1.469 60.598 62.100 -0.055 0.000 0.970 362 T CB 1.631 70.453 68.868 -0.077 0.000 0.950 362 T HN 0.356 nan 8.240 nan 0.000 0.441 363 P HA 0.245 nan 4.420 nan 0.000 0.271 363 P C 0.021 177.304 177.300 -0.029 0.000 1.216 363 P CA -0.670 62.414 63.100 -0.027 0.000 0.776 363 P CB 0.584 32.272 31.700 -0.019 0.000 0.881 364 R N 3.421 123.907 120.500 -0.024 0.000 2.570 364 R HA 0.125 4.467 4.340 0.002 0.000 0.277 364 R C -2.041 174.247 176.300 -0.020 0.000 1.039 364 R CA -1.172 54.915 56.100 -0.022 0.000 1.065 364 R CB -0.289 30.000 30.300 -0.018 0.000 0.964 364 R HN 0.374 nan 8.270 nan 0.000 0.428 365 P HA -0.017 nan 4.420 nan 0.000 0.269 365 P C -0.205 177.084 177.300 -0.018 0.000 1.209 365 P CA -0.058 63.031 63.100 -0.019 0.000 0.776 365 P CB 0.449 32.137 31.700 -0.019 0.000 0.876 366 L N 4.584 125.797 121.223 -0.016 0.000 2.503 366 L HA -0.068 4.273 4.340 0.002 0.000 0.287 366 L C -1.072 175.779 176.870 -0.031 0.000 1.252 366 L CA -0.839 53.988 54.840 -0.022 0.000 0.835 366 L CB -0.233 41.815 42.059 -0.018 0.000 1.099 366 L HN 0.368 nan 8.230 nan 0.000 0.516 367 P HA -0.077 nan 4.420 nan 0.000 0.217 367 P C 1.354 178.622 177.300 -0.055 0.000 1.151 367 P CA 1.133 64.198 63.100 -0.057 0.000 0.828 367 P CB 0.157 31.804 31.700 -0.089 0.000 0.788 368 G N -0.507 108.260 108.800 -0.055 0.000 2.421 368 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 368 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 368 G C 1.453 176.332 174.900 -0.034 0.000 1.171 368 G CA 1.507 46.579 45.100 -0.046 0.000 0.775 368 G HN 0.158 nan 8.290 nan 0.000 0.543 369 T N 0.799 115.335 114.554 -0.031 0.000 2.665 369 T HA -0.147 4.204 4.350 0.002 0.000 0.268 369 T C 2.443 177.135 174.700 -0.014 0.000 1.035 369 T CA 1.342 63.427 62.100 -0.025 0.000 1.151 369 T CB -0.184 68.671 68.868 -0.021 0.000 0.862 369 T HN 0.256 nan 8.240 nan 0.000 0.438 370 R N 0.636 121.128 120.500 -0.013 0.000 2.096 370 R HA -0.039 4.302 4.340 0.002 0.000 0.235 370 R C 2.571 178.878 176.300 0.011 0.000 1.127 370 R CA 1.309 57.409 56.100 0.001 0.000 0.968 370 R CB -0.216 30.079 30.300 -0.008 0.000 0.861 370 R HN 0.293 nan 8.270 nan 0.000 0.440 371 K N 0.776 121.176 120.400 -0.000 0.000 2.002 371 K HA -0.120 4.201 4.320 0.002 0.000 0.209 371 K C 2.001 178.615 176.600 0.022 0.000 1.048 371 K CA 1.244 57.537 56.287 0.011 0.000 0.930 371 K CB -0.462 32.036 32.500 -0.002 0.000 0.714 371 K HN 0.031 nan 8.250 nan 0.000 0.438 372 V N 0.725 120.641 119.914 0.004 0.000 2.332 372 V HA -0.276 3.845 4.120 0.002 0.000 0.248 372 V C 2.010 178.120 176.094 0.026 0.000 1.055 372 V CA 2.069 64.369 62.300 -0.000 0.000 1.038 372 V CB -0.279 31.519 31.823 -0.041 0.000 0.651 372 V HN 0.451 nan 8.190 nan 0.000 0.450 373 M N -0.444 119.174 119.600 0.030 0.000 2.080 373 M HA -0.244 4.237 4.480 0.002 0.000 0.260 373 M C 2.268 178.631 176.300 0.105 0.000 1.068 373 M CA 2.672 58.006 55.300 0.056 0.000 1.109 373 M CB -0.559 32.072 32.600 0.052 0.000 1.342 373 M HN 0.520 nan 8.290 nan 0.000 0.405 374 E N 0.667 120.929 120.200 0.104 0.000 2.110 374 E HA -0.195 4.157 4.350 0.002 0.000 0.193 374 E C 1.784 178.483 176.600 0.165 0.000 0.988 374 E CA 1.200 57.682 56.400 0.137 0.000 0.804 374 E CB -0.039 29.721 29.700 0.099 0.000 0.745 374 E HN 0.506 nan 8.360 nan 0.000 0.458 375 I N 0.294 120.946 120.570 0.136 0.000 2.286 375 I HA -0.214 3.957 4.170 0.002 0.000 0.245 375 I C 2.372 178.626 176.117 0.228 0.000 1.104 375 I CA 1.176 62.573 61.300 0.162 0.000 1.397 375 I CB -0.257 37.808 38.000 0.108 0.000 1.072 375 I HN 0.085 nan 8.210 nan 0.000 0.417 376 T N 0.780 115.447 114.554 0.188 0.000 2.788 376 T HA -0.122 4.229 4.350 0.002 0.000 0.268 376 T C 2.043 176.925 174.700 0.303 0.000 1.044 376 T CA 1.387 63.629 62.100 0.236 0.000 1.139 376 T CB -0.273 68.671 68.868 0.126 0.000 0.867 376 T HN 0.460 nan 8.240 nan 0.000 0.454 377 A N 1.502 124.480 122.820 0.264 0.000 1.897 377 A HA -0.063 4.258 4.320 0.002 0.000 0.215 377 A C 2.349 180.216 177.584 0.472 0.000 1.181 377 A CA 1.008 53.265 52.037 0.366 0.000 0.620 377 A CB -0.353 18.909 19.000 0.435 0.000 0.821 377 A HN 0.261 nan 8.150 nan 0.000 0.443 378 E N -1.002 119.444 120.200 0.409 0.000 2.058 378 E HA -0.236 4.115 4.350 0.002 0.000 0.194 378 E C 1.745 178.584 176.600 0.398 0.000 0.997 378 E CA 1.466 58.102 56.400 0.392 0.000 0.801 378 E CB -0.399 29.477 29.700 0.293 0.000 0.746 378 E HN 0.871 nan 8.360 nan 0.000 0.450 379 W N 0.844 122.274 121.300 0.217 0.000 2.388 379 W HA -0.154 4.507 4.660 0.002 0.000 0.294 379 W C 2.036 178.681 176.519 0.211 0.000 1.212 379 W CA 0.848 58.305 57.345 0.186 0.000 1.271 379 W CB -0.332 29.216 29.460 0.147 0.000 1.126 379 W HN 0.080 nan 8.180 nan 0.000 0.535 380 L N -0.333 121.021 121.223 0.217 0.000 2.056 380 L HA -0.042 4.299 4.340 0.002 0.000 0.207 380 L C 1.989 178.935 176.870 0.126 0.000 1.078 380 L CA 1.949 56.787 54.840 -0.002 0.000 0.749 380 L CB -1.356 40.733 42.059 0.051 0.000 0.901 380 L HN 0.151 nan 8.230 nan 0.000 0.433 381 W N -0.060 121.447 121.300 0.345 0.000 2.355 381 W HA -0.183 4.479 4.660 0.002 0.000 0.309 381 W C 2.725 179.322 176.519 0.131 0.000 1.206 381 W CA 0.909 58.414 57.345 0.267 0.000 1.284 381 W CB -0.150 29.420 29.460 0.183 0.000 1.145 381 W HN 0.026 nan 8.180 nan 0.000 0.502 382 R N -0.445 120.222 120.500 0.279 0.000 2.096 382 R HA -0.158 4.183 4.340 0.002 0.000 0.240 382 R C 2.013 178.287 176.300 -0.044 0.000 1.139 382 R CA 2.160 58.317 56.100 0.095 0.000 0.952 382 R CB -1.258 29.067 30.300 0.042 0.000 0.854 382 R HN 0.135 nan 8.270 nan 0.000 0.436 383 T N 1.792 116.192 114.554 -0.257 0.000 2.684 383 T HA -0.108 4.243 4.350 0.002 0.000 0.267 383 T C 1.905 176.521 174.700 -0.139 0.000 1.036 383 T CA 1.161 63.074 62.100 -0.311 0.000 1.148 383 T CB -0.183 68.282 68.868 -0.671 0.000 0.863 383 T HN 0.147 nan 8.240 nan 0.000 0.436 384 L N 0.372 121.578 121.223 -0.028 0.000 2.191 384 L HA 0.045 4.386 4.340 0.002 0.000 0.212 384 L C 2.449 179.155 176.870 -0.273 0.000 1.103 384 L CA 1.012 55.836 54.840 -0.027 0.000 0.769 384 L CB -0.369 41.850 42.059 0.267 0.000 0.908 384 L HN 0.331 nan 8.230 nan 0.000 0.438 385 G N -0.474 108.282 108.800 -0.073 0.000 3.434 385 G HA2 0.027 3.988 3.960 0.002 0.000 0.258 385 G HA3 0.027 3.988 3.960 0.002 0.000 0.258 385 G C 1.490 176.291 174.900 -0.165 0.000 1.128 385 G CA -0.243 44.735 45.100 -0.202 0.000 0.792 385 G HN 0.340 nan 8.290 nan 0.000 0.539 386 R N 0.322 120.721 120.500 -0.168 0.000 2.083 386 R HA -0.064 4.278 4.340 0.002 0.000 0.237 386 R C 1.386 177.613 176.300 -0.121 0.000 1.137 386 R CA 1.848 57.882 56.100 -0.111 0.000 0.951 386 R CB -0.508 29.739 30.300 -0.088 0.000 0.851 386 R HN 0.307 nan 8.270 nan 0.000 0.434 387 N N -0.440 118.148 118.700 -0.187 0.000 2.322 387 N HA 0.086 4.827 4.740 0.002 0.000 0.181 387 N C -0.486 174.919 175.510 -0.174 0.000 1.088 387 N CA 0.041 52.996 53.050 -0.158 0.000 0.885 387 N CB 0.597 38.989 38.487 -0.158 0.000 1.013 387 N HN 0.143 nan 8.380 nan 0.000 0.472 388 K N 0.799 121.031 120.400 -0.281 0.000 2.203 388 K HA 0.431 4.752 4.320 0.002 0.000 0.251 388 K C -0.646 175.946 176.600 -0.014 0.000 0.944 388 K CA -0.876 55.268 56.287 -0.238 0.000 0.829 388 K CB 2.103 34.227 32.500 -0.626 0.000 1.125 388 K HN -0.091 nan 8.250 nan 0.000 0.430 389 R N 2.253 122.829 120.500 0.127 0.000 2.494 389 R HA 0.398 4.739 4.340 0.002 0.000 0.305 389 R C -2.795 173.618 176.300 0.188 0.000 0.959 389 R CA -1.674 54.518 56.100 0.153 0.000 0.864 389 R CB 0.889 31.217 30.300 0.046 0.000 1.159 389 R HN 0.265 nan 8.270 nan 0.000 0.446 390 P HA 0.276 nan 4.420 nan 0.000 0.271 390 P C -1.378 175.723 177.300 -0.332 0.000 1.218 390 P CA -0.348 62.387 63.100 -0.609 0.000 0.780 390 P CB 0.743 31.802 31.700 -1.067 0.000 0.901 391 R N 1.281 121.535 120.500 -0.410 0.000 2.764 391 R HA 0.638 4.979 4.340 0.002 0.000 0.270 391 R C -1.166 174.800 176.300 -0.557 0.000 1.014 391 R CA -1.025 54.897 56.100 -0.297 0.000 0.904 391 R CB 0.320 30.539 30.300 -0.135 0.000 1.236 391 R HN 0.135 nan 8.270 nan 0.000 0.466 392 L N 1.020 121.865 121.223 -0.630 0.000 2.439 392 L HA 0.347 4.688 4.340 0.002 0.000 0.269 392 L C -0.057 176.638 176.870 -0.291 0.000 1.179 392 L CA -0.518 53.987 54.840 -0.558 0.000 0.828 392 L CB 0.806 42.613 42.059 -0.420 0.000 1.106 392 L HN 0.640 nan 8.230 nan 0.000 0.467 393 C N 0.780 119.897 119.300 -0.305 0.000 2.347 393 C HA 0.690 5.151 4.460 0.002 0.000 0.366 393 C C 0.754 175.727 174.990 -0.029 0.000 1.241 393 C CA -0.469 58.402 59.018 -0.245 0.000 2.360 393 C CB 1.207 28.513 27.740 -0.724 0.000 2.290 393 C HN 0.884 nan 8.230 nan 0.000 0.587 394 T N -1.518 113.160 114.554 0.207 0.000 2.926 394 T HA 0.398 4.749 4.350 0.002 0.000 0.289 394 T C 0.755 175.711 174.700 0.428 0.000 1.054 394 T CA -0.713 61.537 62.100 0.250 0.000 1.015 394 T CB 1.142 70.074 68.868 0.106 0.000 1.167 394 T HN 0.732 nan 8.240 nan 0.000 0.526 395 R N 0.394 120.974 120.500 0.134 0.000 2.091 395 R HA -0.157 4.184 4.340 0.002 0.000 0.238 395 R C 1.734 177.978 176.300 -0.094 0.000 1.136 395 R CA 2.114 58.050 56.100 -0.275 0.000 0.959 395 R CB -0.407 29.371 30.300 -0.869 0.000 0.856 395 R HN 0.792 nan 8.270 nan 0.000 0.437 396 E N 0.452 120.626 120.200 -0.043 0.000 2.072 396 E HA -0.163 4.188 4.350 0.002 0.000 0.191 396 E C 1.889 178.554 176.600 0.108 0.000 0.985 396 E CA 1.667 58.066 56.400 -0.002 0.000 0.801 396 E CB -0.028 29.662 29.700 -0.017 0.000 0.750 396 E HN 0.470 nan 8.360 nan 0.000 0.452 397 E N -0.443 119.883 120.200 0.210 0.000 2.110 397 E HA -0.185 4.166 4.350 0.002 0.000 0.193 397 E C 1.717 178.499 176.600 0.303 0.000 0.988 397 E CA 0.862 57.439 56.400 0.294 0.000 0.804 397 E CB -0.156 29.804 29.700 0.434 0.000 0.745 397 E HN 0.216 nan 8.360 nan 0.000 0.458 398 F N 1.066 121.152 119.950 0.226 0.000 2.206 398 F HA -0.131 4.397 4.527 0.002 0.000 0.298 398 F C 2.256 178.073 175.800 0.028 0.000 1.090 398 F CA 1.282 59.274 58.000 -0.013 0.000 1.323 398 F CB -0.128 39.041 39.000 0.280 0.000 1.028 398 F HN -0.109 nan 8.300 nan 0.000 0.492 399 T N 0.522 115.210 114.554 0.223 0.000 2.674 399 T HA -0.209 4.143 4.350 0.002 0.000 0.265 399 T C 2.086 176.778 174.700 -0.013 0.000 1.039 399 T CA 1.468 63.639 62.100 0.118 0.000 1.150 399 T CB -0.338 68.599 68.868 0.115 0.000 0.864 399 T HN 0.146 nan 8.240 nan 0.000 0.427 400 K N 1.189 121.589 120.400 0.001 0.000 2.044 400 K HA -0.194 4.127 4.320 0.002 0.000 0.210 400 K C 2.252 178.809 176.600 -0.072 0.000 1.049 400 K CA 1.571 57.845 56.287 -0.020 0.000 0.927 400 K CB -0.134 32.374 32.500 0.013 0.000 0.713 400 K HN 0.263 nan 8.250 nan 0.000 0.443 401 K N 0.035 120.361 120.400 -0.125 0.000 2.097 401 K HA -0.075 4.246 4.320 0.002 0.000 0.205 401 K C 2.033 178.496 176.600 -0.228 0.000 1.050 401 K CA 1.042 57.220 56.287 -0.182 0.000 0.938 401 K CB 0.049 32.396 32.500 -0.256 0.000 0.718 401 K HN -0.015 nan 8.250 nan 0.000 0.442 402 V N 1.156 120.882 119.914 -0.313 0.000 2.427 402 V HA -0.204 3.918 4.120 0.002 0.000 0.248 402 V C 2.124 178.142 176.094 -0.126 0.000 1.051 402 V CA 1.560 63.705 62.300 -0.260 0.000 1.048 402 V CB -0.379 31.243 31.823 -0.335 0.000 0.666 402 V HN 0.245 nan 8.190 nan 0.000 0.456 403 R N 0.502 120.942 120.500 -0.099 0.000 2.075 403 R HA -0.123 4.218 4.340 0.002 0.000 0.232 403 R C 2.371 178.630 176.300 -0.069 0.000 1.126 403 R CA 1.907 57.970 56.100 -0.063 0.000 0.963 403 R CB -0.660 29.614 30.300 -0.044 0.000 0.858 403 R HN 0.706 nan 8.270 nan 0.000 0.435 404 T N -1.898 112.606 114.554 -0.082 0.000 3.085 404 T HA 0.037 4.388 4.350 0.002 0.000 0.263 404 T C -0.219 174.414 174.700 -0.112 0.000 1.127 404 T CA 0.031 62.076 62.100 -0.092 0.000 1.103 404 T CB -0.347 68.468 68.868 -0.089 0.000 0.921 404 T HN 0.232 nan 8.240 nan 0.000 0.510 405 N N 0.993 119.636 118.700 -0.095 0.000 2.695 405 N HA 0.103 4.844 4.740 0.002 0.000 0.281 405 N C -0.363 175.092 175.510 -0.091 0.000 1.648 405 N CA 0.720 53.723 53.050 -0.079 0.000 1.250 405 N CB -1.189 37.232 38.487 -0.110 0.000 0.876 405 N HN 0.850 nan 8.380 nan 0.000 0.473 406 A N 0.116 122.915 122.820 -0.034 0.000 4.431 406 A HA 1.052 5.374 4.320 0.002 0.000 0.247 406 A C -1.028 176.594 177.584 0.063 0.000 0.974 406 A CA 0.281 52.308 52.037 -0.016 0.000 0.633 406 A CB 0.685 19.656 19.000 -0.049 0.000 1.698 406 A HN 1.683 nan 8.150 nan 0.000 0.843 421 A N 1.714 124.574 122.820 0.067 0.000 2.337 421 A HA 0.368 4.689 4.320 0.002 0.000 0.227 421 A C 1.519 179.141 177.584 0.063 0.000 1.259 421 A CA 0.138 52.324 52.037 0.249 0.000 0.870 421 A CB -0.139 19.113 19.000 0.421 0.000 0.927 421 A HN 0.297 nan 8.150 nan 0.000 0.497 422 K N 0.436 120.846 120.400 0.016 0.000 2.025 422 K HA 0.006 4.327 4.320 0.002 0.000 0.207 422 K C 2.197 178.785 176.600 -0.020 0.000 1.049 422 K CA 1.373 57.653 56.287 -0.012 0.000 0.933 422 K CB -1.009 31.489 32.500 -0.004 0.000 0.714 422 K HN 0.403 nan 8.250 nan 0.000 0.438 423 A N 1.696 124.522 122.820 0.010 0.000 1.927 423 A HA -0.215 4.106 4.320 0.002 0.000 0.220 423 A C 2.430 180.025 177.584 0.018 0.000 1.185 423 A CA 2.650 54.716 52.037 0.049 0.000 0.639 423 A CB -0.785 18.272 19.000 0.096 0.000 0.820 423 A HN 0.331 nan 8.150 nan 0.000 0.451 424 A N -1.197 121.533 122.820 -0.149 0.000 1.898 424 A HA 0.062 4.383 4.320 0.002 0.000 0.216 424 A C 2.229 179.393 177.584 -0.701 0.000 1.181 424 A CA 1.629 53.238 52.037 -0.713 0.000 0.620 424 A CB -0.797 17.456 19.000 -1.246 0.000 0.819 424 A HN 0.428 nan 8.150 nan 0.000 0.442 425 V N -0.203 119.451 119.914 -0.433 0.000 2.548 425 V HA -0.116 4.006 4.120 0.002 0.000 0.249 425 V C 1.712 177.925 176.094 0.199 0.000 1.055 425 V CA 1.988 64.206 62.300 -0.138 0.000 1.065 425 V CB -0.431 31.371 31.823 -0.034 0.000 0.681 425 V HN 0.562 nan 8.190 nan 0.000 0.462 426 E N -0.147 120.114 120.200 0.100 0.000 2.394 426 E HA 0.101 4.452 4.350 0.002 0.000 0.191 426 E C -0.085 176.616 176.600 0.167 0.000 1.044 426 E CA -0.036 56.452 56.400 0.146 0.000 0.939 426 E CB 0.020 29.771 29.700 0.085 0.000 1.089 426 E HN 0.371 nan 8.360 nan 0.000 0.456 427 D N 0.090 120.603 120.400 0.189 0.000 2.408 427 D HA 0.079 4.720 4.640 0.002 0.000 0.243 427 D C 0.649 177.145 176.300 0.327 0.000 1.075 427 D CA -0.221 53.912 54.000 0.220 0.000 0.832 427 D CB 1.226 42.168 40.800 0.236 0.000 1.162 427 D HN -0.150 nan 8.370 nan 0.000 0.515 428 E N 2.689 123.066 120.200 0.295 0.000 2.110 428 E HA -0.191 4.160 4.350 0.002 0.000 0.193 428 E C 1.727 178.487 176.600 0.267 0.000 0.988 428 E CA 1.408 57.995 56.400 0.311 0.000 0.804 428 E CB 0.006 29.819 29.700 0.188 0.000 0.745 428 E HN 0.790 nan 8.360 nan 0.000 0.458 429 E N 0.722 121.059 120.200 0.228 0.000 2.130 429 E HA -0.221 4.131 4.350 0.002 0.000 0.196 429 E C 1.772 178.493 176.600 0.201 0.000 0.998 429 E CA 1.422 57.942 56.400 0.200 0.000 0.806 429 E CB -1.237 28.587 29.700 0.205 0.000 0.738 429 E HN 0.384 nan 8.360 nan 0.000 0.459 430 F N -0.591 119.385 119.950 0.043 0.000 2.095 430 F HA -0.102 4.426 4.527 0.002 0.000 0.298 430 F C 2.124 177.687 175.800 -0.395 0.000 1.104 430 F CA 2.088 59.906 58.000 -0.303 0.000 1.232 430 F CB -0.290 38.189 39.000 -0.868 0.000 0.987 430 F HN 0.333 nan 8.300 nan 0.000 0.475 431 W N 0.964 122.200 121.300 -0.108 0.000 2.519 431 W HA -0.011 4.650 4.660 0.002 0.000 0.266 431 W C 2.272 178.669 176.519 -0.203 0.000 1.253 431 W CA 0.636 57.839 57.345 -0.238 0.000 1.274 431 W CB -0.266 29.146 29.460 -0.079 0.000 1.114 431 W HN -0.098 nan 8.180 nan 0.000 0.596 432 K N 0.434 120.861 120.400 0.045 0.000 2.025 432 K HA -0.116 4.205 4.320 0.002 0.000 0.207 432 K C 1.834 178.388 176.600 -0.076 0.000 1.049 432 K CA 1.316 57.607 56.287 0.007 0.000 0.933 432 K CB -0.643 31.879 32.500 0.036 0.000 0.714 432 K HN 0.203 nan 8.250 nan 0.000 0.438 433 L N 0.667 121.805 121.223 -0.142 0.000 2.046 433 L HA -0.180 4.161 4.340 0.002 0.000 0.208 433 L C 2.398 179.103 176.870 -0.275 0.000 1.077 433 L CA 0.815 55.546 54.840 -0.183 0.000 0.747 433 L CB -0.709 41.252 42.059 -0.162 0.000 0.896 433 L HN -0.026 nan 8.230 nan 0.000 0.432 434 V N 0.204 119.850 119.914 -0.447 0.000 2.282 434 V HA -0.334 3.787 4.120 0.002 0.000 0.249 434 V C 2.216 178.208 176.094 -0.170 0.000 1.057 434 V CA 2.155 64.226 62.300 -0.381 0.000 1.032 434 V CB -0.509 31.041 31.823 -0.456 0.000 0.645 434 V HN 0.454 nan 8.190 nan 0.000 0.447 435 D N -0.832 119.509 120.400 -0.098 0.000 2.144 435 D HA -0.149 4.492 4.640 0.002 0.000 0.199 435 D C 2.338 178.592 176.300 -0.076 0.000 0.984 435 D CA 1.133 55.103 54.000 -0.049 0.000 0.834 435 D CB -0.240 40.552 40.800 -0.014 0.000 0.955 435 D HN 0.323 nan 8.370 nan 0.000 0.465 436 R N 0.344 120.788 120.500 -0.094 0.000 2.062 436 R HA -0.120 4.222 4.340 0.002 0.000 0.229 436 R C 2.022 178.253 176.300 -0.115 0.000 1.128 436 R CA 1.162 57.211 56.100 -0.085 0.000 0.960 436 R CB 0.019 30.274 30.300 -0.075 0.000 0.855 436 R HN -0.012 nan 8.270 nan 0.000 0.432 437 E N 0.374 120.471 120.200 -0.171 0.000 2.204 437 E HA -0.172 4.179 4.350 0.002 0.000 0.194 437 E C 1.934 178.315 176.600 -0.365 0.000 0.989 437 E CA 1.065 57.313 56.400 -0.253 0.000 0.824 437 E CB -0.013 29.501 29.700 -0.310 0.000 0.756 437 E HN 0.138 nan 8.360 nan 0.000 0.477 438 R N 0.176 120.513 120.500 -0.271 0.000 2.075 438 R HA -0.128 4.213 4.340 0.002 0.000 0.232 438 R C 1.618 177.869 176.300 -0.082 0.000 1.126 438 R CA 1.469 57.451 56.100 -0.197 0.000 0.963 438 R CB -0.032 30.207 30.300 -0.102 0.000 0.858 438 R HN 0.138 nan 8.270 nan 0.000 0.435 439 E N 0.720 120.881 120.200 -0.066 0.000 2.204 439 E HA -0.183 4.168 4.350 0.002 0.000 0.195 439 E C 2.024 178.617 176.600 -0.011 0.000 0.990 439 E CA 0.795 57.176 56.400 -0.030 0.000 0.821 439 E CB -0.150 29.531 29.700 -0.032 0.000 0.750 439 E HN 0.381 nan 8.360 nan 0.000 0.477 440 L N -0.165 121.047 121.223 -0.018 0.000 2.044 440 L HA -0.137 4.204 4.340 0.002 0.000 0.205 440 L C 2.466 179.402 176.870 0.109 0.000 1.075 440 L CA 1.135 55.991 54.840 0.027 0.000 0.747 440 L CB -0.361 41.708 42.059 0.017 0.000 0.903 440 L HN 0.242 nan 8.230 nan 0.000 0.435 441 H N -0.181 118.858 119.070 -0.050 0.000 2.319 441 H HA -0.223 4.334 4.556 0.002 0.000 0.297 441 H C 2.208 177.510 175.328 -0.044 0.000 1.097 441 H CA 1.410 57.425 56.048 -0.055 0.000 1.285 441 H CB 0.080 29.800 29.762 -0.071 0.000 1.368 441 H HN 0.243 nan 8.280 nan 0.000 0.495 442 K N 0.300 120.758 120.400 0.097 0.000 2.160 442 K HA -0.166 4.156 4.320 0.002 0.000 0.206 442 K C 1.530 178.141 176.600 0.018 0.000 1.047 442 K CA 0.922 57.231 56.287 0.037 0.000 0.930 442 K CB 0.031 32.541 32.500 0.017 0.000 0.720 442 K HN 0.073 nan 8.250 nan 0.000 0.450 443 L N -0.640 120.595 121.223 0.019 0.000 2.591 443 L HA 0.119 4.460 4.340 0.002 0.000 0.228 443 L C 1.084 177.954 176.870 0.000 0.000 1.133 443 L CA 1.005 55.848 54.840 0.006 0.000 0.880 443 L CB 0.098 42.160 42.059 0.004 0.000 1.033 443 L HN 0.424 nan 8.230 nan 0.000 0.450 444 G N -0.680 108.120 108.800 -0.001 0.000 2.132 444 G HA2 -0.251 3.710 3.960 0.002 0.000 0.234 444 G HA3 -0.251 3.710 3.960 0.002 0.000 0.234 444 G C 0.410 175.295 174.900 -0.025 0.000 0.989 444 G CA -0.001 45.086 45.100 -0.022 0.000 0.676 444 G HN 0.358 nan 8.290 nan 0.000 0.522 445 K N -1.026 119.373 120.400 -0.001 0.000 2.340 445 K HA 0.722 5.043 4.320 0.002 0.000 0.244 445 K C -0.843 175.789 176.600 0.053 0.000 0.973 445 K CA -0.664 55.627 56.287 0.007 0.000 0.828 445 K CB 2.553 35.058 32.500 0.009 0.000 1.226 445 K HN 0.256 nan 8.250 nan 0.000 0.437 446 C N 0.848 120.170 119.300 0.036 0.000 2.482 446 C HA 0.658 5.119 4.460 0.002 0.000 0.317 446 C C 1.099 176.120 174.990 0.051 0.000 1.197 446 C CA -0.182 58.888 59.018 0.086 0.000 1.432 446 C CB 0.462 28.210 27.740 0.014 0.000 2.062 446 C HN 1.044 nan 8.230 nan 0.000 0.471 447 G N 1.666 110.499 108.800 0.055 0.000 2.763 447 G HA2 0.167 4.128 3.960 0.002 0.000 0.205 447 G HA3 0.167 4.128 3.960 0.002 0.000 0.205 447 G C 1.012 175.920 174.900 0.013 0.000 1.137 447 G CA 0.854 45.962 45.100 0.012 0.000 0.839 447 G HN 1.169 nan 8.290 nan 0.000 0.596 448 S N -1.178 114.532 115.700 0.017 0.000 2.847 448 S HA 0.127 4.599 4.470 0.002 0.000 0.254 448 S C 0.370 174.992 174.600 0.037 0.000 1.039 448 S CA -0.352 57.862 58.200 0.024 0.000 1.113 448 S CB -0.444 62.760 63.200 0.006 0.000 1.092 448 S HN 0.139 nan 8.310 nan 0.000 0.620 449 C N 4.023 123.349 119.300 0.043 0.000 2.896 449 C HA 0.585 5.046 4.460 0.002 0.000 0.499 449 C C 1.048 176.069 174.990 0.052 0.000 1.022 449 C CA -0.931 58.107 59.018 0.032 0.000 1.127 449 C CB -2.295 25.477 27.740 0.054 0.000 1.452 449 C HN 0.570 nan 8.230 nan 0.000 0.580 473 I N -1.957 118.651 120.570 0.064 0.000 3.680 473 I HA 0.088 4.259 4.170 0.002 0.000 0.306 473 I C 1.255 177.537 176.117 0.275 0.000 1.260 473 I CA 0.334 61.706 61.300 0.120 0.000 1.201 473 I CB -0.059 37.992 38.000 0.085 0.000 1.009 473 I HN 0.731 nan 8.210 nan 0.000 0.467 474 W N 1.472 122.871 121.300 0.165 0.000 2.825 474 W HA -0.097 4.564 4.660 0.002 0.000 0.243 474 W C 0.897 177.651 176.519 0.392 0.000 1.293 474 W CA 0.396 57.876 57.345 0.224 0.000 1.403 474 W CB -0.557 28.989 29.460 0.143 0.000 1.134 474 W HN 0.292 nan 8.180 nan 0.000 0.666 475 Y N 0.825 121.202 120.300 0.130 0.000 2.352 475 Y HA -0.257 4.295 4.550 0.002 0.000 0.292 475 Y C 2.497 178.445 175.900 0.081 0.000 1.136 475 Y CA 1.285 59.468 58.100 0.137 0.000 1.227 475 Y CB -0.172 38.416 38.460 0.214 0.000 0.991 475 Y HN -0.111 nan 8.280 nan 0.000 0.545 476 M N -1.995 117.723 119.600 0.198 0.000 2.236 476 M HA -0.149 4.332 4.480 0.002 0.000 0.266 476 M C 1.792 178.136 176.300 0.073 0.000 1.070 476 M CA 1.494 56.853 55.300 0.098 0.000 1.137 476 M CB -0.649 32.014 32.600 0.104 0.000 1.378 476 M HN 0.372 nan 8.290 nan 0.000 0.426 477 W N 0.753 121.978 121.300 -0.125 0.000 2.353 477 W HA -0.193 4.468 4.660 0.002 0.000 0.319 477 W C 2.065 178.448 176.519 -0.227 0.000 1.207 477 W CA 1.407 58.644 57.345 -0.180 0.000 1.291 477 W CB -0.489 28.815 29.460 -0.259 0.000 1.159 477 W HN 0.140 nan 8.180 nan 0.000 0.478 478 L N 1.364 122.514 121.223 -0.122 0.000 2.042 478 L HA -0.035 4.306 4.340 0.002 0.000 0.210 478 L C 2.446 179.315 176.870 -0.001 0.000 1.076 478 L CA 2.665 57.418 54.840 -0.144 0.000 0.749 478 L CB -1.520 40.372 42.059 -0.277 0.000 0.893 478 L HN 0.144 nan 8.230 nan 0.000 0.432 479 G N -1.185 107.630 108.800 0.025 0.000 2.459 479 G HA2 -0.312 3.649 3.960 0.002 0.000 0.217 479 G HA3 -0.312 3.649 3.960 0.002 0.000 0.217 479 G C 1.628 176.425 174.900 -0.172 0.000 1.183 479 G CA 1.014 46.001 45.100 -0.189 0.000 0.776 479 G HN 0.646 nan 8.290 nan 0.000 0.552 480 A N 0.487 123.204 122.820 -0.172 0.000 1.908 480 A HA -0.069 4.252 4.320 0.002 0.000 0.218 480 A C 2.426 179.887 177.584 -0.204 0.000 1.181 480 A CA 2.174 54.105 52.037 -0.176 0.000 0.627 480 A CB -0.403 18.493 19.000 -0.173 0.000 0.818 480 A HN 0.296 nan 8.150 nan 0.000 0.445 481 R N -1.819 118.519 120.500 -0.271 0.000 2.092 481 R HA -0.098 4.243 4.340 0.002 0.000 0.231 481 R C 1.975 178.231 176.300 -0.074 0.000 1.119 481 R CA 1.654 57.624 56.100 -0.215 0.000 0.970 481 R CB -0.790 29.314 30.300 -0.326 0.000 0.864 481 R HN 0.724 nan 8.270 nan 0.000 0.440 482 Y N 0.516 120.634 120.300 -0.303 0.000 2.114 482 Y HA -0.148 4.403 4.550 0.002 0.000 0.284 482 Y C 1.601 177.391 175.900 -0.183 0.000 1.143 482 Y CA 1.638 59.379 58.100 -0.599 0.000 1.135 482 Y CB -0.427 37.423 38.460 -1.017 0.000 0.980 482 Y HN -0.021 nan 8.280 nan 0.000 0.499 483 L N 0.432 121.358 121.223 -0.495 0.000 2.043 483 L HA -0.262 4.080 4.340 0.002 0.000 0.212 483 L C 2.626 179.298 176.870 -0.331 0.000 1.075 483 L CA 2.060 56.627 54.840 -0.456 0.000 0.752 483 L CB -0.763 41.159 42.059 -0.229 0.000 0.891 483 L HN 0.371 nan 8.230 nan 0.000 0.432 484 E N 0.315 120.385 120.200 -0.216 0.000 2.049 484 E HA -0.309 4.042 4.350 0.002 0.000 0.198 484 E C 2.162 178.708 176.600 -0.089 0.000 1.007 484 E CA 1.819 58.128 56.400 -0.153 0.000 0.809 484 E CB -0.218 29.426 29.700 -0.094 0.000 0.749 484 E HN 0.407 nan 8.360 nan 0.000 0.450 485 F N 1.701 121.536 119.950 -0.192 0.000 2.216 485 F HA -0.148 4.381 4.527 0.002 0.000 0.300 485 F C 2.162 177.860 175.800 -0.170 0.000 1.085 485 F CA 1.910 59.858 58.000 -0.087 0.000 1.326 485 F CB -0.124 38.944 39.000 0.114 0.000 1.027 485 F HN 0.083 nan 8.300 nan 0.000 0.497 486 E N 0.143 120.071 120.200 -0.454 0.000 2.072 486 E HA -0.164 4.187 4.350 0.002 0.000 0.191 486 E C 2.133 178.536 176.600 -0.329 0.000 0.985 486 E CA 1.051 57.147 56.400 -0.507 0.000 0.801 486 E CB -0.261 29.048 29.700 -0.652 0.000 0.750 486 E HN 0.463 nan 8.360 nan 0.000 0.452 487 A N 0.056 122.753 122.820 -0.205 0.000 2.030 487 A HA 0.119 4.440 4.320 0.002 0.000 0.215 487 A C 1.749 179.442 177.584 0.182 0.000 1.164 487 A CA 0.463 52.494 52.037 -0.010 0.000 0.697 487 A CB 0.185 19.174 19.000 -0.018 0.000 0.827 487 A HN 0.294 nan 8.150 nan 0.000 0.457 488 L N -2.058 119.177 121.223 0.022 0.000 3.086 488 L HA 0.230 4.571 4.340 0.002 0.000 0.274 488 L C 2.146 178.898 176.870 -0.195 0.000 1.184 488 L CA 0.377 55.216 54.840 -0.002 0.000 1.002 488 L CB 0.255 42.276 42.059 -0.063 0.000 1.383 488 L HN 0.351 nan 8.230 nan 0.000 0.582 489 G N 1.356 110.016 108.800 -0.234 0.000 2.479 489 G HA2 -0.318 3.643 3.960 0.002 0.000 0.220 489 G HA3 -0.318 3.643 3.960 0.002 0.000 0.220 489 G C 1.390 176.135 174.900 -0.258 0.000 1.115 489 G CA 0.976 45.873 45.100 -0.339 0.000 0.757 489 G HN 0.518 nan 8.290 nan 0.000 0.560 490 F N 0.429 120.230 119.950 -0.247 0.000 2.250 490 F HA 0.079 4.607 4.527 0.002 0.000 0.301 490 F C 2.081 177.800 175.800 -0.136 0.000 1.077 490 F CA 0.518 58.417 58.000 -0.169 0.000 1.348 490 F CB -0.429 38.474 39.000 -0.160 0.000 1.040 490 F HN 0.067 nan 8.300 nan 0.000 0.509 491 L N 0.724 121.295 121.223 -1.086 0.000 2.046 491 L HA -0.212 4.129 4.340 0.002 0.000 0.208 491 L C 2.233 179.105 176.870 0.002 0.000 1.077 491 L CA 1.459 55.881 54.840 -0.697 0.000 0.747 491 L CB -0.738 41.023 42.059 -0.497 0.000 0.896 491 L HN 0.274 nan 8.230 nan 0.000 0.432 492 N N -0.811 117.910 118.700 0.036 0.000 2.258 492 N HA -0.100 4.641 4.740 0.002 0.000 0.183 492 N C 1.760 177.286 175.510 0.028 0.000 1.029 492 N CA 0.794 53.935 53.050 0.153 0.000 0.857 492 N CB -0.180 38.411 38.487 0.173 0.000 1.008 492 N HN 0.214 nan 8.380 nan 0.000 0.433 493 E N 1.311 121.509 120.200 -0.004 0.000 2.110 493 E HA -0.100 4.251 4.350 0.002 0.000 0.193 493 E C 0.483 176.932 176.600 -0.252 0.000 0.988 493 E CA 0.960 57.312 56.400 -0.080 0.000 0.804 493 E CB -0.234 29.488 29.700 0.037 0.000 0.745 493 E HN 0.342 nan 8.360 nan 0.000 0.458 494 D N -0.300 120.088 120.400 -0.020 0.000 2.328 494 D HA -0.016 4.625 4.640 0.002 0.000 0.221 494 D C -0.268 176.156 176.300 0.207 0.000 1.072 494 D CA 0.056 54.127 54.000 0.118 0.000 0.850 494 D CB 0.030 41.088 40.800 0.430 0.000 0.922 494 D HN 0.203 nan 8.370 nan 0.000 0.516 495 H N -1.862 117.390 119.070 0.304 0.000 2.886 495 H HA -0.159 4.398 4.556 0.002 0.000 0.294 495 H C 0.613 176.070 175.328 0.216 0.000 1.246 495 H CA 0.350 56.540 56.048 0.238 0.000 1.142 495 H CB -1.996 27.847 29.762 0.136 0.000 1.358 495 H HN 0.349 nan 8.280 nan 0.000 0.406 496 W N -0.326 120.999 121.300 0.042 0.000 2.364 496 W HA -0.062 4.599 4.660 0.002 0.000 0.281 496 W C 1.780 178.056 176.519 -0.406 0.000 1.219 496 W CA 1.336 58.556 57.345 -0.208 0.000 1.220 496 W CB -0.472 28.773 29.460 -0.359 0.000 1.127 496 W HN 0.312 nan 8.180 nan 0.000 0.556 497 F N 0.054 120.226 119.950 0.370 0.000 2.708 497 F HA 0.197 4.726 4.527 0.002 0.000 0.300 497 F C 1.258 177.195 175.800 0.228 0.000 1.118 497 F CA -0.478 57.685 58.000 0.272 0.000 1.307 497 F CB -0.736 38.433 39.000 0.282 0.000 0.986 497 F HN -0.368 nan 8.300 nan 0.000 0.522 498 S N -0.286 115.583 115.700 0.281 0.000 2.579 498 S HA 0.107 4.578 4.470 0.002 0.000 0.275 498 S C 1.501 176.163 174.600 0.103 0.000 1.345 498 S CA -0.622 57.681 58.200 0.173 0.000 1.031 498 S CB 1.194 64.436 63.200 0.070 0.000 0.892 498 S HN 0.485 nan 8.310 nan 0.000 0.529 499 R N 0.752 121.306 120.500 0.089 0.000 2.091 499 R HA -0.138 4.203 4.340 0.002 0.000 0.238 499 R C 2.364 178.638 176.300 -0.044 0.000 1.136 499 R CA 1.722 57.858 56.100 0.061 0.000 0.959 499 R CB -0.358 29.993 30.300 0.085 0.000 0.856 499 R HN 0.895 nan 8.270 nan 0.000 0.437 500 E N 0.272 120.427 120.200 -0.076 0.000 2.077 500 E HA -0.239 4.112 4.350 0.002 0.000 0.193 500 E C 1.250 177.662 176.600 -0.313 0.000 0.989 500 E CA 1.756 58.065 56.400 -0.152 0.000 0.800 500 E CB -0.156 29.475 29.700 -0.114 0.000 0.746 500 E HN 0.337 nan 8.360 nan 0.000 0.452 501 N N -0.328 118.209 118.700 -0.271 0.000 2.290 501 N HA -0.072 4.669 4.740 0.002 0.000 0.179 501 N C 1.732 176.958 175.510 -0.473 0.000 1.016 501 N CA 1.571 54.396 53.050 -0.374 0.000 0.871 501 N CB 0.112 38.424 38.487 -0.292 0.000 0.987 501 N HN 0.129 nan 8.380 nan 0.000 0.431 502 S N -1.906 113.632 115.700 -0.271 0.000 2.503 502 S HA 0.097 4.569 4.470 0.002 0.000 0.215 502 S C 0.542 175.164 174.600 0.037 0.000 1.003 502 S CA 0.077 58.231 58.200 -0.076 0.000 0.910 502 S CB -0.242 63.078 63.200 0.199 0.000 0.790 502 S HN 0.400 nan 8.310 nan 0.000 0.514 503 Y N 0.898 121.241 120.300 0.073 0.000 2.818 503 Y HA -0.344 4.207 4.550 0.002 0.000 0.487 503 Y C 2.113 178.063 175.900 0.084 0.000 1.146 503 Y CA 1.058 59.198 58.100 0.067 0.000 2.839 503 Y CB -2.003 36.494 38.460 0.061 0.000 0.893 503 Y HN 0.396 nan 8.280 nan 0.000 0.545 504 S N -0.042 115.819 115.700 0.267 0.000 2.503 504 S HA 0.339 4.810 4.470 0.002 0.000 0.215 504 S C 1.335 176.048 174.600 0.187 0.000 1.003 504 S CA 0.295 58.610 58.200 0.191 0.000 0.910 504 S CB 0.117 63.422 63.200 0.176 0.000 0.790 504 S HN 0.707 nan 8.310 nan 0.000 0.514 505 G N 1.076 110.017 108.800 0.236 0.000 2.599 505 G HA2 0.423 4.384 3.960 0.002 0.000 0.264 505 G HA3 0.423 4.384 3.960 0.002 0.000 0.264 505 G C 0.318 175.373 174.900 0.259 0.000 1.200 505 G CA -0.051 45.221 45.100 0.285 0.000 0.896 505 G HN 0.512 nan 8.290 nan 0.000 0.536 506 V N -2.475 117.633 119.914 0.322 0.000 3.261 506 V HA 0.388 4.509 4.120 0.002 0.000 0.330 506 V C 0.279 176.581 176.094 0.346 0.000 1.461 506 V CA -0.443 62.032 62.300 0.292 0.000 1.127 506 V CB -0.092 31.911 31.823 0.300 0.000 1.044 506 V HN 0.630 nan 8.190 nan 0.000 0.499 507 E N 1.698 122.135 120.200 0.396 0.000 2.351 507 E HA 0.417 4.768 4.350 0.002 0.000 0.266 507 E C 1.361 178.142 176.600 0.301 0.000 1.031 507 E CA 1.114 57.755 56.400 0.402 0.000 0.911 507 E CB 0.809 30.823 29.700 0.524 0.000 0.986 507 E HN 0.914 nan 8.360 nan 0.000 0.446 508 G N 4.511 113.484 108.800 0.289 0.000 2.176 508 G HA2 -0.266 3.696 3.960 0.002 0.000 0.253 508 G HA3 -0.266 3.696 3.960 0.002 0.000 0.253 508 G C 0.787 175.857 174.900 0.283 0.000 0.979 508 G CA 0.395 45.651 45.100 0.260 0.000 0.641 508 G HN 0.596 nan 8.290 nan 0.000 0.530 509 E N 0.454 120.785 120.200 0.218 0.000 2.046 509 E HA 0.317 4.669 4.350 0.002 0.000 0.190 509 E C 1.629 178.163 176.600 -0.110 0.000 0.982 509 E CA 1.592 58.045 56.400 0.089 0.000 0.800 509 E CB -0.412 29.331 29.700 0.072 0.000 0.756 509 E HN 1.900 nan 8.360 nan 0.000 0.449 510 G N 0.532 109.262 108.800 -0.116 0.000 2.697 510 G HA2 -0.184 3.777 3.960 0.002 0.000 0.686 510 G HA3 -0.184 3.777 3.960 0.002 0.000 0.686 510 G C 0.210 174.929 174.900 -0.303 0.000 1.179 510 G CA -0.145 44.672 45.100 -0.472 0.000 0.765 510 G HN 0.171 nan 8.290 nan 0.000 0.649 511 L N 1.365 122.550 121.223 -0.063 0.000 2.051 511 L HA -0.133 4.208 4.340 0.002 0.000 0.214 511 L C 2.863 179.736 176.870 0.006 0.000 1.076 511 L CA 3.164 58.003 54.840 -0.001 0.000 0.758 511 L CB -0.510 41.578 42.059 0.049 0.000 0.890 511 L HN 0.964 nan 8.230 nan 0.000 0.433 512 H N -1.290 117.723 119.070 -0.094 0.000 2.561 512 H HA -0.051 4.506 4.556 0.002 0.000 0.278 512 H C 1.408 176.700 175.328 -0.061 0.000 1.014 512 H CA 1.049 57.019 56.048 -0.130 0.000 1.211 512 H CB -0.370 29.071 29.762 -0.534 0.000 1.365 512 H HN 0.490 nan 8.280 nan 0.000 0.594 513 K N 0.221 120.360 120.400 -0.435 0.000 2.391 513 K HA 0.222 4.543 4.320 0.002 0.000 0.197 513 K C 2.227 178.634 176.600 -0.321 0.000 1.087 513 K CA -0.118 55.998 56.287 -0.285 0.000 1.012 513 K CB 0.685 33.034 32.500 -0.252 0.000 0.925 513 K HN 0.143 nan 8.250 nan 0.000 0.547 514 L N 0.506 121.543 121.223 -0.310 0.000 2.079 514 L HA -0.154 4.187 4.340 0.002 0.000 0.210 514 L C 2.400 178.719 176.870 -0.917 0.000 1.081 514 L CA 1.713 56.293 54.840 -0.432 0.000 0.752 514 L CB -0.895 41.043 42.059 -0.201 0.000 0.896 514 L HN 0.310 nan 8.230 nan 0.000 0.433 515 G N -0.958 107.117 108.800 -1.209 0.000 2.421 515 G HA2 -0.280 3.681 3.960 0.002 0.000 0.216 515 G HA3 -0.280 3.681 3.960 0.002 0.000 0.216 515 G C 1.362 175.760 174.900 -0.837 0.000 1.171 515 G CA 0.555 44.955 45.100 -1.167 0.000 0.775 515 G HN 0.299 nan 8.290 nan 0.000 0.543 516 Y N 0.438 120.255 120.300 -0.805 0.000 2.256 516 Y HA -0.039 4.512 4.550 0.002 0.000 0.288 516 Y C 2.698 177.998 175.900 -1.001 0.000 1.155 516 Y CA 0.708 58.099 58.100 -1.183 0.000 1.203 516 Y CB -0.095 37.058 38.460 -2.178 0.000 0.980 516 Y HN 0.143 nan 8.280 nan 0.000 0.530 517 I N -0.666 119.540 120.570 -0.607 0.000 2.353 517 I HA -0.288 3.883 4.170 0.002 0.000 0.248 517 I C 2.044 177.927 176.117 -0.390 0.000 1.119 517 I CA 1.023 62.119 61.300 -0.340 0.000 1.417 517 I CB -0.304 37.571 38.000 -0.209 0.000 1.078 517 I HN 0.234 nan 8.210 nan 0.000 0.421 518 L N 0.221 121.130 121.223 -0.524 0.000 2.046 518 L HA -0.210 4.131 4.340 0.002 0.000 0.208 518 L C 2.756 179.283 176.870 -0.572 0.000 1.077 518 L CA 1.333 55.898 54.840 -0.459 0.000 0.747 518 L CB -0.625 41.217 42.059 -0.363 0.000 0.896 518 L HN 0.247 nan 8.230 nan 0.000 0.432 519 R N 0.170 120.089 120.500 -0.967 0.000 2.096 519 R HA -0.180 4.161 4.340 0.002 0.000 0.235 519 R C 1.801 177.715 176.300 -0.644 0.000 1.127 519 R CA 1.673 56.962 56.100 -1.352 0.000 0.968 519 R CB -0.065 29.288 30.300 -1.578 0.000 0.861 519 R HN 0.314 nan 8.270 nan 0.000 0.440 520 D N 0.433 120.595 120.400 -0.396 0.000 2.117 520 D HA -0.118 4.524 4.640 0.002 0.000 0.198 520 D C 1.894 178.111 176.300 -0.139 0.000 0.982 520 D CA 1.132 55.037 54.000 -0.159 0.000 0.828 520 D CB -0.086 40.716 40.800 0.004 0.000 0.967 520 D HN 0.306 nan 8.370 nan 0.000 0.464 521 I N 1.176 121.643 120.570 -0.173 0.000 2.264 521 I HA -0.276 3.895 4.170 0.002 0.000 0.248 521 I C 2.426 178.482 176.117 -0.101 0.000 1.111 521 I CA 1.205 62.432 61.300 -0.122 0.000 1.382 521 I CB -0.296 37.623 38.000 -0.133 0.000 1.060 521 I HN -0.002 nan 8.210 nan 0.000 0.418 522 S N 0.726 116.333 115.700 -0.155 0.000 2.442 522 S HA -0.192 4.280 4.470 0.002 0.000 0.236 522 S C 1.844 176.430 174.600 -0.023 0.000 1.007 522 S CA 0.987 59.151 58.200 -0.060 0.000 0.965 522 S CB -0.389 62.765 63.200 -0.078 0.000 0.773 522 S HN 0.436 nan 8.310 nan 0.000 0.504 523 K N 0.404 120.767 120.400 -0.062 0.000 2.432 523 K HA 0.285 4.606 4.320 0.002 0.000 0.196 523 K C 0.078 176.677 176.600 -0.001 0.000 1.038 523 K CA 0.191 56.467 56.287 -0.019 0.000 0.986 523 K CB -0.121 32.363 32.500 -0.027 0.000 0.782 523 K HN 0.480 nan 8.250 nan 0.000 0.485 524 I N 3.966 124.531 120.570 -0.009 0.000 2.471 524 I HA 0.058 4.229 4.170 0.002 0.000 0.286 524 I C -2.062 174.064 176.117 0.014 0.000 1.079 524 I CA -2.292 59.007 61.300 -0.001 0.000 1.398 524 I CB 0.503 38.496 38.000 -0.011 0.000 1.403 524 I HN -0.119 nan 8.210 nan 0.000 0.530 525 P HA 0.217 nan 4.420 nan 0.000 0.267 525 P C -0.002 177.319 177.300 0.034 0.000 1.205 525 P CA 0.292 63.409 63.100 0.029 0.000 0.765 525 P CB 1.175 32.889 31.700 0.024 0.000 0.828 526 G N 1.488 110.318 108.800 0.051 0.000 2.393 526 G HA2 0.486 4.447 3.960 0.002 0.000 0.264 526 G HA3 0.486 4.447 3.960 0.002 0.000 0.264 526 G C -0.353 174.601 174.900 0.089 0.000 1.221 526 G CA -0.081 45.056 45.100 0.061 0.000 0.912 526 G HN 0.618 nan 8.290 nan 0.000 0.483 527 G N -0.433 108.432 108.800 0.109 0.000 2.494 527 G HA2 0.700 4.661 3.960 0.002 0.000 0.270 527 G HA3 0.700 4.661 3.960 0.002 0.000 0.270 527 G C 0.741 175.713 174.900 0.121 0.000 1.423 527 G CA 0.876 46.069 45.100 0.154 0.000 1.055 527 G HN 1.642 nan 8.290 nan 0.000 0.536 528 A N -1.089 121.767 122.820 0.061 0.000 2.292 528 A HA 0.617 4.939 4.320 0.002 0.000 0.265 528 A C 0.286 177.742 177.584 -0.214 0.000 1.133 528 A CA -0.194 51.726 52.037 -0.195 0.000 0.807 528 A CB 0.186 18.810 19.000 -0.628 0.000 1.102 528 A HN 0.517 nan 8.150 nan 0.000 0.502 529 M N 0.613 120.088 119.600 -0.208 0.000 2.113 529 M HA 0.367 4.848 4.480 0.002 0.000 0.352 529 M C -1.626 174.634 176.300 -0.066 0.000 1.170 529 M CA 0.287 55.558 55.300 -0.049 0.000 1.053 529 M CB 0.747 33.386 32.600 0.065 0.000 1.601 529 M HN 0.614 nan 8.290 nan 0.000 0.459 530 Y N 1.201 121.582 120.300 0.135 0.000 2.387 530 Y HA 0.653 5.205 4.550 0.002 0.000 0.336 530 Y C 0.195 176.288 175.900 0.321 0.000 1.067 530 Y CA -0.886 57.370 58.100 0.261 0.000 1.114 530 Y CB 1.727 40.352 38.460 0.276 0.000 1.208 530 Y HN 0.705 nan 8.280 nan 0.000 0.458 531 A N 2.135 125.324 122.820 0.616 0.000 3.422 531 A HA 0.302 4.623 4.320 0.002 0.000 0.271 531 A C -1.470 176.373 177.584 0.431 0.000 1.104 531 A CA -0.825 51.489 52.037 0.463 0.000 0.899 531 A CB -0.301 18.905 19.000 0.343 0.000 1.309 531 A HN 0.652 nan 8.150 nan 0.000 0.580 532 D N 1.678 122.295 120.400 0.362 0.000 2.383 532 D HA 0.207 4.848 4.640 0.002 0.000 0.252 532 D C -0.295 176.136 176.300 0.219 0.000 1.166 532 D CA 0.466 54.626 54.000 0.267 0.000 0.879 532 D CB 0.983 41.910 40.800 0.212 0.000 1.164 532 D HN 0.367 nan 8.370 nan 0.000 0.462 533 D N 0.876 121.391 120.400 0.192 0.000 2.382 533 D HA 0.114 4.756 4.640 0.002 0.000 0.240 533 D C 0.162 176.562 176.300 0.167 0.000 1.146 533 D CA 0.335 54.433 54.000 0.163 0.000 0.897 533 D CB 0.764 41.649 40.800 0.142 0.000 1.197 533 D HN 0.103 nan 8.370 nan 0.000 0.432 534 T N 0.715 115.392 114.554 0.206 0.000 2.837 534 T HA 0.506 4.857 4.350 0.002 0.000 0.285 534 T C -0.011 174.798 174.700 0.182 0.000 0.984 534 T CA -0.670 61.574 62.100 0.240 0.000 1.049 534 T CB 1.333 70.489 68.868 0.481 0.000 0.947 534 T HN 0.339 nan 8.240 nan 0.000 0.472 535 A N 2.284 125.172 122.820 0.114 0.000 2.444 535 A HA 0.540 4.861 4.320 0.002 0.000 0.287 535 A C 1.327 178.961 177.584 0.084 0.000 1.195 535 A CA 0.072 52.157 52.037 0.080 0.000 0.858 535 A CB -1.094 17.928 19.000 0.036 0.000 1.117 535 A HN 1.492 nan 8.150 nan 0.000 0.521 536 G N 2.605 111.468 108.800 0.105 0.000 2.359 536 G HA2 -0.267 3.694 3.960 0.002 0.000 0.298 536 G HA3 -0.267 3.694 3.960 0.002 0.000 0.298 536 G C 0.796 175.776 174.900 0.135 0.000 1.030 536 G CA 0.415 45.574 45.100 0.097 0.000 1.149 536 G HN 1.263 nan 8.290 nan 0.000 0.512 537 W N 0.451 121.765 121.300 0.023 0.000 2.280 537 W HA -0.284 4.377 4.660 0.002 0.000 0.332 537 W C 1.547 178.083 176.519 0.028 0.000 1.300 537 W CA 2.415 59.776 57.345 0.027 0.000 1.274 537 W CB -0.306 29.176 29.460 0.037 0.000 1.141 537 W HN 0.524 nan 8.180 nan 0.000 0.474 538 D N -0.391 120.134 120.400 0.208 0.000 2.158 538 D HA -0.207 4.435 4.640 0.002 0.000 0.197 538 D C 2.170 178.460 176.300 -0.016 0.000 0.995 538 D CA 2.991 57.050 54.000 0.098 0.000 0.846 538 D CB -0.964 39.944 40.800 0.181 0.000 0.941 538 D HN 0.353 nan 8.370 nan 0.000 0.456 539 T N -1.302 113.252 114.554 -0.000 0.000 3.007 539 T HA -0.056 4.295 4.350 0.002 0.000 0.270 539 T C 1.498 176.142 174.700 -0.094 0.000 1.107 539 T CA 0.441 62.535 62.100 -0.009 0.000 1.118 539 T CB 0.089 68.972 68.868 0.025 0.000 0.889 539 T HN -0.033 nan 8.240 nan 0.000 0.506 540 R N 0.679 121.060 120.500 -0.198 0.000 2.334 540 R HA 0.352 4.693 4.340 0.002 0.000 0.216 540 R C 0.335 176.427 176.300 -0.348 0.000 0.905 540 R CA -0.247 55.690 56.100 -0.272 0.000 1.064 540 R CB -0.213 29.892 30.300 -0.326 0.000 1.046 540 R HN 0.420 nan 8.270 nan 0.000 0.508 541 I N 3.419 123.789 120.570 -0.333 0.000 2.436 541 I HA -0.016 4.156 4.170 0.002 0.000 0.289 541 I C 1.111 177.141 176.117 -0.144 0.000 1.083 541 I CA 0.309 61.450 61.300 -0.265 0.000 1.372 541 I CB 0.464 38.351 38.000 -0.189 0.000 1.408 541 I HN 0.034 nan 8.210 nan 0.000 0.516 542 T N 2.177 116.664 114.554 -0.112 0.000 2.847 542 T HA 0.261 4.612 4.350 0.002 0.000 0.279 542 T C 1.117 175.811 174.700 -0.009 0.000 0.984 542 T CA -0.675 61.388 62.100 -0.061 0.000 0.988 542 T CB 1.710 70.550 68.868 -0.048 0.000 1.040 542 T HN 0.561 nan 8.240 nan 0.000 0.528 543 E N 0.379 120.587 120.200 0.014 0.000 2.118 543 E HA -0.194 4.157 4.350 0.002 0.000 0.195 543 E C 1.586 178.284 176.600 0.164 0.000 0.992 543 E CA 1.544 57.993 56.400 0.082 0.000 0.804 543 E CB -0.055 29.702 29.700 0.094 0.000 0.741 543 E HN 0.639 nan 8.360 nan 0.000 0.458 544 D N 0.828 121.294 120.400 0.110 0.000 2.117 544 D HA -0.144 4.497 4.640 0.002 0.000 0.197 544 D C 1.550 177.932 176.300 0.137 0.000 0.987 544 D CA 0.876 54.950 54.000 0.123 0.000 0.829 544 D CB -0.245 40.590 40.800 0.059 0.000 0.961 544 D HN 0.157 nan 8.370 nan 0.000 0.460 545 D N 0.809 121.263 120.400 0.090 0.000 2.104 545 D HA -0.121 4.520 4.640 0.002 0.000 0.194 545 D C 2.456 178.851 176.300 0.158 0.000 0.994 545 D CA 0.520 54.588 54.000 0.114 0.000 0.830 545 D CB -0.286 40.541 40.800 0.045 0.000 0.959 545 D HN 0.247 nan 8.370 nan 0.000 0.452 546 L N 0.394 121.682 121.223 0.109 0.000 2.046 546 L HA -0.175 4.166 4.340 0.002 0.000 0.208 546 L C 2.524 179.406 176.870 0.019 0.000 1.077 546 L CA 1.070 55.962 54.840 0.087 0.000 0.747 546 L CB -0.552 41.523 42.059 0.026 0.000 0.896 546 L HN 0.163 nan 8.230 nan 0.000 0.432 547 H N -0.018 119.095 119.070 0.071 0.000 2.457 547 H HA -0.070 4.487 4.556 0.002 0.000 0.294 547 H C 1.887 177.244 175.328 0.049 0.000 1.064 547 H CA 1.514 57.575 56.048 0.022 0.000 1.330 547 H CB -0.110 29.666 29.762 0.022 0.000 1.395 547 H HN 0.518 nan 8.280 nan 0.000 0.541 548 N N 0.477 119.324 118.700 0.243 0.000 2.300 548 N HA -0.085 4.656 4.740 0.002 0.000 0.179 548 N C 1.610 177.372 175.510 0.421 0.000 1.016 548 N CA 0.476 53.718 53.050 0.320 0.000 0.876 548 N CB 0.120 38.814 38.487 0.345 0.000 0.979 548 N HN 0.418 nan 8.380 nan 0.000 0.432 549 E N 0.896 121.297 120.200 0.335 0.000 2.204 549 E HA -0.156 4.196 4.350 0.002 0.000 0.194 549 E C 1.438 178.039 176.600 0.003 0.000 0.989 549 E CA 0.576 57.184 56.400 0.346 0.000 0.824 549 E CB 0.056 29.989 29.700 0.388 0.000 0.756 549 E HN 0.401 nan 8.360 nan 0.000 0.477 550 E N 1.154 121.113 120.200 -0.401 0.000 2.208 550 E HA -0.142 4.209 4.350 0.002 0.000 0.193 550 E C 1.449 177.686 176.600 -0.606 0.000 0.988 550 E CA 0.523 56.312 56.400 -1.018 0.000 0.828 550 E CB 0.183 29.429 29.700 -0.757 0.000 0.763 550 E HN 0.128 nan 8.360 nan 0.000 0.478 551 K N 0.489 120.713 120.400 -0.294 0.000 2.362 551 K HA -0.183 4.138 4.320 0.002 0.000 0.202 551 K C 1.966 178.204 176.600 -0.605 0.000 1.045 551 K CA 0.572 56.714 56.287 -0.243 0.000 0.936 551 K CB -0.169 32.410 32.500 0.132 0.000 0.747 551 K HN 0.166 nan 8.250 nan 0.000 0.467 552 I N 2.404 122.242 120.570 -1.219 0.000 2.423 552 I HA -0.225 3.946 4.170 0.002 0.000 0.254 552 I C 1.855 177.583 176.117 -0.649 0.000 1.151 552 I CA 0.837 61.348 61.300 -1.316 0.000 1.421 552 I CB -0.282 36.600 38.000 -1.863 0.000 1.079 552 I HN 0.167 nan 8.210 nan 0.000 0.431 553 I N -1.473 118.797 120.570 -0.501 0.000 2.361 553 I HA -0.294 3.877 4.170 0.002 0.000 0.251 553 I C 2.028 177.969 176.117 -0.294 0.000 1.133 553 I CA 1.347 62.430 61.300 -0.362 0.000 1.413 553 I CB -1.033 36.804 38.000 -0.272 0.000 1.073 553 I HN 0.257 nan 8.210 nan 0.000 0.424 554 Q N 1.060 120.710 119.800 -0.250 0.000 2.297 554 Q HA -0.217 4.124 4.340 0.002 0.000 0.208 554 Q C 1.796 177.710 176.000 -0.142 0.000 0.981 554 Q CA 1.538 57.246 55.803 -0.159 0.000 0.876 554 Q CB -0.263 28.411 28.738 -0.106 0.000 0.921 554 Q HN 0.724 nan 8.270 nan 0.000 0.446 555 Q N -0.563 119.125 119.800 -0.187 0.000 2.360 555 Q HA 0.160 4.501 4.340 0.002 0.000 0.202 555 Q C -0.009 175.885 176.000 -0.177 0.000 0.915 555 Q CA -0.069 55.655 55.803 -0.132 0.000 0.943 555 Q CB 0.409 29.107 28.738 -0.066 0.000 1.064 555 Q HN 0.349 nan 8.270 nan 0.000 0.511 556 M N 0.821 120.268 119.600 -0.255 0.000 2.409 556 M HA 0.185 4.666 4.480 0.002 0.000 0.329 556 M C -0.435 175.778 176.300 -0.145 0.000 1.180 556 M CA -0.779 54.345 55.300 -0.292 0.000 1.053 556 M CB 1.086 33.340 32.600 -0.577 0.000 1.586 556 M HN -0.084 nan 8.290 nan 0.000 0.461 557 D N 2.419 122.776 120.400 -0.071 0.000 2.400 557 D HA 0.044 4.685 4.640 0.002 0.000 0.238 557 D C -1.621 174.661 176.300 -0.030 0.000 1.157 557 D CA -1.205 52.774 54.000 -0.034 0.000 0.889 557 D CB 0.078 40.872 40.800 -0.010 0.000 1.199 557 D HN 0.280 nan 8.370 nan 0.000 0.436 558 P HA -0.219 nan 4.420 nan 0.000 0.216 558 P C 1.326 178.619 177.300 -0.012 0.000 1.157 558 P CA 1.581 64.665 63.100 -0.027 0.000 0.880 558 P CB 0.138 31.825 31.700 -0.023 0.000 0.791 559 E N -0.890 119.309 120.200 -0.002 0.000 2.110 559 E HA -0.253 4.098 4.350 0.002 0.000 0.193 559 E C 2.049 178.672 176.600 0.039 0.000 0.988 559 E CA 1.471 57.873 56.400 0.005 0.000 0.804 559 E CB -1.436 28.257 29.700 -0.011 0.000 0.745 559 E HN 0.480 nan 8.360 nan 0.000 0.458 560 H N 0.908 119.925 119.070 -0.089 0.000 2.333 560 H HA 0.079 4.636 4.556 0.002 0.000 0.302 560 H C 2.526 177.795 175.328 -0.099 0.000 1.075 560 H CA 1.022 57.002 56.048 -0.113 0.000 1.348 560 H CB 0.209 29.871 29.762 -0.166 0.000 1.393 560 H HN 0.016 nan 8.280 nan 0.000 0.509 561 R N 0.528 121.002 120.500 -0.044 0.000 2.113 561 R HA -0.222 4.120 4.340 0.002 0.000 0.244 561 R C 2.475 178.747 176.300 -0.047 0.000 1.142 561 R CA 2.163 58.197 56.100 -0.110 0.000 0.953 561 R CB -0.102 30.136 30.300 -0.103 0.000 0.860 561 R HN 0.538 nan 8.270 nan 0.000 0.438 562 Q N 0.064 119.854 119.800 -0.016 0.000 1.985 562 Q HA -0.203 4.138 4.340 0.002 0.000 0.207 562 Q C 2.283 178.284 176.000 0.003 0.000 0.996 562 Q CA 2.035 57.833 55.803 -0.008 0.000 0.851 562 Q CB -0.214 28.523 28.738 -0.001 0.000 0.921 562 Q HN 0.374 nan 8.270 nan 0.000 0.418 563 L N -0.080 121.158 121.223 0.026 0.000 2.127 563 L HA -0.232 4.109 4.340 0.002 0.000 0.211 563 L C 2.413 179.291 176.870 0.013 0.000 1.089 563 L CA 0.986 55.846 54.840 0.032 0.000 0.757 563 L CB -0.545 41.531 42.059 0.029 0.000 0.899 563 L HN 0.270 nan 8.230 nan 0.000 0.434 564 A N 0.154 122.998 122.820 0.040 0.000 1.872 564 A HA -0.215 4.106 4.320 0.002 0.000 0.214 564 A C 2.063 179.700 177.584 0.087 0.000 1.187 564 A CA 1.752 53.816 52.037 0.045 0.000 0.614 564 A CB -0.681 18.343 19.000 0.040 0.000 0.826 564 A HN 0.423 nan 8.150 nan 0.000 0.442 565 N N 0.362 119.093 118.700 0.051 0.000 2.192 565 N HA -0.124 4.618 4.740 0.002 0.000 0.188 565 N C 1.625 177.127 175.510 -0.014 0.000 1.013 565 N CA 1.743 54.817 53.050 0.041 0.000 0.863 565 N CB -0.291 38.186 38.487 -0.018 0.000 0.990 565 N HN 0.400 nan 8.380 nan 0.000 0.430 566 A N 0.684 123.454 122.820 -0.084 0.000 1.855 566 A HA -0.077 4.244 4.320 0.002 0.000 0.215 566 A C 2.087 179.467 177.584 -0.341 0.000 1.191 566 A CA 1.122 53.026 52.037 -0.223 0.000 0.613 566 A CB -0.629 18.223 19.000 -0.246 0.000 0.829 566 A HN 0.264 nan 8.150 nan 0.000 0.442 567 I N -0.982 119.383 120.570 -0.342 0.000 2.091 567 I HA -0.265 3.907 4.170 0.002 0.000 0.239 567 I C 2.451 178.139 176.117 -0.714 0.000 1.061 567 I CA 1.609 62.574 61.300 -0.559 0.000 1.317 567 I CB -1.848 35.788 38.000 -0.607 0.000 1.031 567 I HN 0.351 nan 8.210 nan 0.000 0.401 568 F N 1.048 120.737 119.950 -0.436 0.000 2.065 568 F HA -0.287 4.241 4.527 0.002 0.000 0.298 568 F C 2.586 178.296 175.800 -0.149 0.000 1.112 568 F CA 1.798 59.673 58.000 -0.208 0.000 1.212 568 F CB -0.538 38.418 39.000 -0.072 0.000 0.975 568 F HN -0.020 nan 8.300 nan 0.000 0.476 569 K N 0.140 120.562 120.400 0.036 0.000 2.097 569 K HA -0.047 4.274 4.320 0.002 0.000 0.205 569 K C 1.790 178.357 176.600 -0.056 0.000 1.050 569 K CA 1.201 57.480 56.287 -0.012 0.000 0.938 569 K CB -0.389 32.092 32.500 -0.031 0.000 0.718 569 K HN 0.254 nan 8.250 nan 0.000 0.442 570 L N -1.135 120.002 121.223 -0.145 0.000 2.470 570 L HA 0.112 4.454 4.340 0.002 0.000 0.219 570 L C 1.658 178.460 176.870 -0.112 0.000 1.071 570 L CA 1.082 55.832 54.840 -0.149 0.000 0.850 570 L CB 0.051 41.955 42.059 -0.259 0.000 1.040 570 L HN 0.198 nan 8.230 nan 0.000 0.475 571 T N -5.644 108.811 114.554 -0.166 0.000 2.975 571 T HA 0.112 4.463 4.350 0.002 0.000 0.261 571 T C 1.311 176.093 174.700 0.138 0.000 0.984 571 T CA -0.016 62.035 62.100 -0.082 0.000 0.911 571 T CB 0.116 68.868 68.868 -0.195 0.000 1.127 571 T HN 0.009 nan 8.240 nan 0.000 0.514 572 Y N 1.542 121.817 120.300 -0.042 0.000 2.539 572 Y HA 0.475 5.026 4.550 0.002 0.000 0.284 572 Y C 2.360 178.268 175.900 0.013 0.000 1.134 572 Y CA -0.241 57.854 58.100 -0.009 0.000 1.251 572 Y CB -0.151 38.303 38.460 -0.009 0.000 1.260 572 Y HN 0.287 nan 8.280 nan 0.000 0.528 573 Q N -0.317 119.583 119.800 0.168 0.000 2.319 573 Q HA 0.138 4.479 4.340 0.002 0.000 0.202 573 Q C -0.234 175.791 176.000 0.042 0.000 0.896 573 Q CA 0.284 56.128 55.803 0.067 0.000 0.942 573 Q CB 0.558 29.298 28.738 0.003 0.000 1.083 573 Q HN 0.151 nan 8.270 nan 0.000 0.510 574 N N 1.402 120.133 118.700 0.051 0.000 2.700 574 N HA 0.060 4.801 4.740 0.002 0.000 0.242 574 N C -1.485 174.064 175.510 0.065 0.000 1.541 574 N CA -0.054 53.021 53.050 0.042 0.000 0.764 574 N CB 0.871 39.373 38.487 0.025 0.000 1.319 574 N HN 0.192 nan 8.380 nan 0.000 0.518 575 K N -0.759 119.700 120.400 0.099 0.000 2.154 575 K HA 0.530 4.851 4.320 0.002 0.000 0.264 575 K C -0.206 176.504 176.600 0.184 0.000 1.008 575 K CA -0.498 55.878 56.287 0.148 0.000 0.937 575 K CB 1.531 34.154 32.500 0.205 0.000 1.002 575 K HN -0.218 nan 8.250 nan 0.000 0.469 576 V N 2.648 122.664 119.914 0.171 0.000 2.350 576 V HA 0.201 4.322 4.120 0.002 0.000 0.285 576 V C -0.517 175.684 176.094 0.178 0.000 1.014 576 V CA -0.905 61.502 62.300 0.178 0.000 0.831 576 V CB 1.395 33.295 31.823 0.128 0.000 1.000 576 V HN 0.596 nan 8.190 nan 0.000 0.433 577 V N 5.491 125.514 119.914 0.182 0.000 2.630 577 V HA 0.565 4.686 4.120 0.002 0.000 0.305 577 V C 0.038 176.163 176.094 0.052 0.000 1.046 577 V CA -0.951 61.414 62.300 0.110 0.000 0.934 577 V CB 2.042 33.884 31.823 0.031 0.000 1.003 577 V HN 0.924 nan 8.190 nan 0.000 0.451 578 K N 2.803 123.236 120.400 0.055 0.000 2.221 578 K HA 0.878 5.199 4.320 0.002 0.000 0.258 578 K C -1.437 175.145 176.600 -0.030 0.000 0.944 578 K CA -0.671 55.632 56.287 0.027 0.000 0.823 578 K CB 2.465 35.016 32.500 0.084 0.000 1.113 578 K HN 0.432 nan 8.250 nan 0.000 0.431 579 V N 1.834 121.705 119.914 -0.072 0.000 3.048 579 V HA 0.185 4.306 4.120 0.002 0.000 0.303 579 V C -1.479 174.562 176.094 -0.088 0.000 1.214 579 V CA -0.683 61.568 62.300 -0.082 0.000 0.984 579 V CB 2.567 34.332 31.823 -0.097 0.000 1.054 579 V HN 0.968 nan 8.190 nan 0.000 0.430 580 Q N 3.506 123.249 119.800 -0.096 0.000 2.260 580 Q HA 0.632 4.974 4.340 0.002 0.000 0.238 580 Q C -0.527 175.418 176.000 -0.092 0.000 0.948 580 Q CA -0.646 55.089 55.803 -0.114 0.000 0.895 580 Q CB 1.574 30.233 28.738 -0.131 0.000 1.218 580 Q HN 0.737 nan 8.270 nan 0.000 0.470 581 R N 0.323 120.762 120.500 -0.101 0.000 2.725 581 R HA 0.482 4.823 4.340 0.002 0.000 0.277 581 R C -2.736 173.491 176.300 -0.121 0.000 0.987 581 R CA -1.949 54.086 56.100 -0.109 0.000 0.901 581 R CB 1.190 31.439 30.300 -0.086 0.000 1.207 581 R HN 0.288 nan 8.270 nan 0.000 0.463 582 P HA 0.157 nan 4.420 nan 0.000 0.225 582 P C -0.450 176.819 177.300 -0.051 0.000 1.813 582 P CA 0.046 63.084 63.100 -0.104 0.000 1.013 582 P CB 0.276 31.908 31.700 -0.114 0.000 1.961 583 T N 1.870 116.391 114.554 -0.055 0.000 2.769 583 T HA 0.265 4.616 4.350 0.002 0.000 0.293 583 T C -1.818 172.865 174.700 -0.028 0.000 0.931 583 T CA -1.805 60.270 62.100 -0.042 0.000 1.139 583 T CB -0.446 68.398 68.868 -0.040 0.000 0.881 583 T HN 0.006 nan 8.240 nan 0.000 0.532 584 P HA 0.306 nan 4.420 nan 0.000 0.238 584 P C 0.809 178.098 177.300 -0.018 0.000 1.649 584 P CA 0.925 64.019 63.100 -0.011 0.000 0.960 584 P CB -0.213 31.481 31.700 -0.011 0.000 1.911 585 T N -2.220 112.322 114.554 -0.019 0.000 3.608 585 T HA 0.488 4.839 4.350 0.002 0.000 0.293 585 T C 0.655 175.348 174.700 -0.012 0.000 0.933 585 T CA 0.603 62.691 62.100 -0.020 0.000 1.081 585 T CB 0.327 69.175 68.868 -0.034 0.000 1.166 585 T HN 0.265 nan 8.240 nan 0.000 0.500 586 G N 0.145 108.937 108.800 -0.014 0.000 2.548 586 G HA2 0.501 4.462 3.960 0.002 0.000 0.301 586 G HA3 0.501 4.462 3.960 0.002 0.000 0.301 586 G C -1.339 173.549 174.900 -0.020 0.000 1.349 586 G CA 0.201 45.296 45.100 -0.009 0.000 0.792 586 G HN 0.261 nan 8.290 nan 0.000 0.481 587 T N 1.118 115.660 114.554 -0.020 0.000 2.775 587 T HA 0.441 4.792 4.350 0.002 0.000 0.287 587 T C 0.598 175.264 174.700 -0.056 0.000 0.909 587 T CA 0.101 62.176 62.100 -0.041 0.000 1.081 587 T CB 0.078 68.926 68.868 -0.034 0.000 0.891 587 T HN 1.293 nan 8.240 nan 0.000 0.544 588 V N 1.811 121.674 119.914 -0.086 0.000 2.769 588 V HA 0.821 4.942 4.120 0.002 0.000 0.312 588 V C -0.441 175.518 176.094 -0.224 0.000 1.058 588 V CA -1.415 60.803 62.300 -0.137 0.000 0.952 588 V CB 2.054 33.834 31.823 -0.071 0.000 1.019 588 V HN 0.808 nan 8.190 nan 0.000 0.445 589 M N 2.551 121.896 119.600 -0.424 0.000 2.259 589 M HA 0.580 5.061 4.480 0.002 0.000 0.304 589 M C -1.381 174.663 176.300 -0.427 0.000 1.019 589 M CA -0.156 54.878 55.300 -0.443 0.000 0.922 589 M CB 1.505 33.777 32.600 -0.547 0.000 1.600 589 M HN 0.941 nan 8.290 nan 0.000 0.433 590 D N 3.579 123.873 120.400 -0.178 0.000 2.277 590 D HA 0.606 5.248 4.640 0.002 0.000 0.250 590 D C -1.043 175.239 176.300 -0.030 0.000 1.032 590 D CA 0.126 54.101 54.000 -0.042 0.000 0.947 590 D CB 1.519 42.392 40.800 0.123 0.000 1.159 590 D HN 0.471 nan 8.370 nan 0.000 0.460 591 I N 2.231 122.821 120.570 0.034 0.000 2.439 591 I HA 0.391 4.562 4.170 0.002 0.000 0.285 591 I C -0.950 175.200 176.117 0.055 0.000 1.021 591 I CA -0.625 60.717 61.300 0.070 0.000 1.091 591 I CB 0.942 39.061 38.000 0.198 0.000 1.242 591 I HN 0.234 nan 8.210 nan 0.000 0.439 592 I N 3.234 123.830 120.570 0.043 0.000 3.074 592 I HA 0.851 5.022 4.170 0.002 0.000 0.310 592 I C -0.241 176.062 176.117 0.311 0.000 1.153 592 I CA -0.730 60.636 61.300 0.110 0.000 0.993 592 I CB 2.139 40.060 38.000 -0.132 0.000 1.237 592 I HN 0.444 nan 8.210 nan 0.000 0.443 593 S N 1.811 117.758 115.700 0.413 0.000 2.595 593 S HA 0.899 5.370 4.470 0.002 0.000 0.281 593 S C -0.876 173.830 174.600 0.178 0.000 1.117 593 S CA -0.801 57.609 58.200 0.351 0.000 0.873 593 S CB 2.394 65.752 63.200 0.264 0.000 1.108 593 S HN 0.989 nan 8.310 nan 0.000 0.477 594 R N 0.274 120.751 120.500 -0.038 0.000 2.629 594 R HA 0.395 4.736 4.340 0.002 0.000 0.266 594 R C -0.139 176.054 176.300 -0.179 0.000 1.051 594 R CA -0.679 55.215 56.100 -0.342 0.000 0.895 594 R CB 1.416 31.059 30.300 -1.095 0.000 1.246 594 R HN 0.691 nan 8.270 nan 0.000 0.459 595 K N 0.711 121.017 120.400 -0.157 0.000 2.305 595 K HA -0.008 4.314 4.320 0.002 0.000 0.199 595 K C 0.207 176.764 176.600 -0.071 0.000 1.047 595 K CA 1.095 57.339 56.287 -0.071 0.000 0.976 595 K CB 0.192 32.668 32.500 -0.040 0.000 0.765 595 K HN 0.603 nan 8.250 nan 0.000 0.474 596 D N -1.234 119.083 120.400 -0.138 0.000 2.837 596 D HA 0.180 4.822 4.640 0.002 0.000 0.294 596 D C -0.553 175.672 176.300 -0.126 0.000 1.158 596 D CA -0.459 53.479 54.000 -0.103 0.000 1.073 596 D CB 0.876 41.623 40.800 -0.089 0.000 1.419 596 D HN -0.067 nan 8.370 nan 0.000 0.584 597 Q N -2.310 117.437 119.800 -0.089 0.000 0.288 597 Q HA -0.201 4.141 4.340 0.002 0.000 0.276 597 Q C -1.009 174.992 176.000 0.000 0.000 1.091 597 Q CA 0.359 56.133 55.803 -0.048 0.000 0.225 597 Q CB -0.532 28.198 28.738 -0.014 0.000 5.637 597 Q HN 0.686 nan 8.270 nan 0.000 0.293 598 R N -0.390 120.133 120.500 0.039 0.000 2.670 598 R HA 0.642 4.983 4.340 0.002 0.000 0.289 598 R C -0.728 175.652 176.300 0.134 0.000 0.965 598 R CA 0.360 56.493 56.100 0.054 0.000 0.899 598 R CB 1.979 32.312 30.300 0.055 0.000 1.173 598 R HN 0.642 nan 8.270 nan 0.000 0.456 599 G N 1.292 110.175 108.800 0.137 0.000 2.347 599 G HA2 0.228 4.189 3.960 0.002 0.000 0.314 599 G HA3 0.228 4.189 3.960 0.002 0.000 0.314 599 G C 0.149 175.150 174.900 0.167 0.000 1.126 599 G CA -0.526 44.688 45.100 0.189 0.000 0.929 599 G HN 0.739 nan 8.290 nan 0.000 0.441 600 S N 2.492 118.313 115.700 0.202 0.000 2.380 600 S HA -0.167 4.304 4.470 0.002 0.000 0.229 600 S C 2.476 177.178 174.600 0.170 0.000 1.043 600 S CA 1.538 59.853 58.200 0.192 0.000 1.038 600 S CB -0.191 63.147 63.200 0.229 0.000 0.872 600 S HN 0.805 nan 8.310 nan 0.000 0.456 601 G N 0.863 109.774 108.800 0.184 0.000 2.807 601 G HA2 -0.022 3.939 3.960 0.002 0.000 0.207 601 G HA3 -0.022 3.939 3.960 0.002 0.000 0.207 601 G C 0.246 175.202 174.900 0.092 0.000 1.151 601 G CA 0.029 45.238 45.100 0.182 0.000 0.800 601 G HN 0.446 nan 8.290 nan 0.000 0.523 602 Q N -0.273 119.583 119.800 0.094 0.000 2.241 602 Q HA 0.415 4.756 4.340 0.002 0.000 0.254 602 Q C -0.406 175.652 176.000 0.096 0.000 0.917 602 Q CA -0.658 55.191 55.803 0.076 0.000 0.919 602 Q CB 2.601 31.421 28.738 0.136 0.000 1.237 602 Q HN -0.003 nan 8.270 nan 0.000 0.434 603 V N 2.667 122.639 119.914 0.097 0.000 2.450 603 V HA 0.247 4.368 4.120 0.002 0.000 0.281 603 V C 1.175 177.359 176.094 0.149 0.000 1.019 603 V CA 1.455 63.843 62.300 0.147 0.000 1.062 603 V CB 0.112 32.060 31.823 0.208 0.000 0.979 603 V HN 1.127 nan 8.190 nan 0.000 0.477 604 G N 3.856 112.745 108.800 0.148 0.000 2.179 604 G HA2 -0.259 3.702 3.960 0.002 0.000 0.220 604 G HA3 -0.259 3.702 3.960 0.002 0.000 0.220 604 G C 0.749 175.697 174.900 0.080 0.000 0.990 604 G CA 0.281 45.452 45.100 0.118 0.000 0.646 604 G HN 0.615 nan 8.290 nan 0.000 0.517 605 T N -0.381 114.221 114.554 0.080 0.000 2.746 605 T HA -0.104 4.247 4.350 0.002 0.000 0.267 605 T C 1.780 176.540 174.700 0.100 0.000 1.039 605 T CA 1.943 64.074 62.100 0.052 0.000 1.142 605 T CB -0.217 68.703 68.868 0.086 0.000 0.866 605 T HN 0.541 nan 8.240 nan 0.000 0.444 606 Y N 1.591 121.906 120.300 0.024 0.000 2.145 606 Y HA -0.068 4.483 4.550 0.002 0.000 0.286 606 Y C 2.509 178.357 175.900 -0.087 0.000 1.145 606 Y CA 1.466 59.559 58.100 -0.011 0.000 1.148 606 Y CB -0.803 37.664 38.460 0.012 0.000 0.981 606 Y HN 0.192 nan 8.280 nan 0.000 0.507 607 G N 0.521 109.329 108.800 0.014 0.000 2.491 607 G HA2 -0.280 3.681 3.960 0.002 0.000 0.218 607 G HA3 -0.280 3.681 3.960 0.002 0.000 0.218 607 G C 1.593 176.356 174.900 -0.229 0.000 1.180 607 G CA 1.492 46.512 45.100 -0.133 0.000 0.774 607 G HN 0.460 nan 8.290 nan 0.000 0.562 608 L N 0.318 121.554 121.223 0.022 0.000 2.156 608 L HA -0.000 4.341 4.340 0.002 0.000 0.208 608 L C 2.627 179.586 176.870 0.150 0.000 1.095 608 L CA 0.564 55.496 54.840 0.154 0.000 0.770 608 L CB -0.363 41.789 42.059 0.156 0.000 0.914 608 L HN 0.103 nan 8.230 nan 0.000 0.439 609 N N -0.414 118.305 118.700 0.032 0.000 2.171 609 N HA -0.116 4.625 4.740 0.002 0.000 0.184 609 N C 1.877 177.281 175.510 -0.175 0.000 1.021 609 N CA 1.684 54.784 53.050 0.083 0.000 0.854 609 N CB -0.461 38.030 38.487 0.006 0.000 0.994 609 N HN 0.216 nan 8.380 nan 0.000 0.426 610 T N 0.887 115.148 114.554 -0.488 0.000 2.746 610 T HA -0.112 4.239 4.350 0.002 0.000 0.267 610 T C 1.662 176.169 174.700 -0.322 0.000 1.039 610 T CA 0.784 62.535 62.100 -0.581 0.000 1.142 610 T CB -0.419 67.835 68.868 -1.024 0.000 0.866 610 T HN 0.225 nan 8.240 nan 0.000 0.444 611 F N 2.040 121.753 119.950 -0.394 0.000 2.051 611 F HA -0.143 4.385 4.527 0.002 0.000 0.296 611 F C 2.510 178.295 175.800 -0.025 0.000 1.122 611 F CA 1.504 59.424 58.000 -0.133 0.000 1.201 611 F CB -0.843 38.094 39.000 -0.106 0.000 0.978 611 F HN 0.015 nan 8.300 nan 0.000 0.472 612 T N 0.553 115.188 114.554 0.135 0.000 2.746 612 T HA -0.200 4.151 4.350 0.002 0.000 0.267 612 T C 1.761 176.558 174.700 0.161 0.000 1.039 612 T CA 1.490 63.676 62.100 0.143 0.000 1.142 612 T CB -0.500 68.575 68.868 0.345 0.000 0.866 612 T HN 0.232 nan 8.240 nan 0.000 0.444 613 N N 0.979 119.802 118.700 0.205 0.000 2.069 613 N HA -0.010 4.731 4.740 0.002 0.000 0.191 613 N C 1.843 177.370 175.510 0.030 0.000 1.031 613 N CA 1.339 54.455 53.050 0.111 0.000 0.852 613 N CB -0.358 37.979 38.487 -0.250 0.000 1.018 613 N HN 0.388 nan 8.380 nan 0.000 0.423 614 M N 0.598 120.166 119.600 -0.054 0.000 2.073 614 M HA -0.210 4.271 4.480 0.002 0.000 0.258 614 M C 2.121 178.402 176.300 -0.032 0.000 1.070 614 M CA 1.720 57.003 55.300 -0.029 0.000 1.103 614 M CB -0.424 32.152 32.600 -0.039 0.000 1.321 614 M HN 0.278 nan 8.290 nan 0.000 0.405 615 E N 0.468 120.561 120.200 -0.179 0.000 2.033 615 E HA -0.256 4.095 4.350 0.002 0.000 0.199 615 E C 1.941 178.540 176.600 -0.001 0.000 1.011 615 E CA 1.676 57.998 56.400 -0.130 0.000 0.815 615 E CB -0.120 29.411 29.700 -0.281 0.000 0.755 615 E HN 0.472 nan 8.360 nan 0.000 0.451 616 A N 1.046 123.890 122.820 0.040 0.000 1.884 616 A HA -0.279 4.042 4.320 0.002 0.000 0.219 616 A C 2.193 179.833 177.584 0.093 0.000 1.197 616 A CA 2.109 54.198 52.037 0.086 0.000 0.637 616 A CB -0.736 18.375 19.000 0.185 0.000 0.827 616 A HN 0.368 nan 8.150 nan 0.000 0.450 617 Q N -0.356 119.520 119.800 0.127 0.000 2.124 617 Q HA -0.046 4.296 4.340 0.002 0.000 0.202 617 Q C 2.174 178.278 176.000 0.175 0.000 0.977 617 Q CA 1.070 56.980 55.803 0.178 0.000 0.850 617 Q CB -0.619 28.231 28.738 0.188 0.000 0.901 617 Q HN 0.734 nan 8.270 nan 0.000 0.429 618 L N -0.106 121.202 121.223 0.143 0.000 2.083 618 L HA -0.162 4.179 4.340 0.002 0.000 0.209 618 L C 2.300 179.181 176.870 0.018 0.000 1.083 618 L CA 0.779 55.720 54.840 0.169 0.000 0.752 618 L CB -0.331 41.851 42.059 0.205 0.000 0.899 618 L HN 0.058 nan 8.230 nan 0.000 0.433 619 V N -0.437 119.467 119.914 -0.017 0.000 2.379 619 V HA -0.263 3.858 4.120 0.002 0.000 0.245 619 V C 2.588 178.615 176.094 -0.112 0.000 1.044 619 V CA 1.709 63.947 62.300 -0.104 0.000 1.036 619 V CB -0.606 31.179 31.823 -0.063 0.000 0.664 619 V HN 0.443 nan 8.190 nan 0.000 0.453 620 R N -0.157 120.320 120.500 -0.039 0.000 2.091 620 R HA -0.203 4.138 4.340 0.002 0.000 0.238 620 R C 2.394 178.688 176.300 -0.011 0.000 1.136 620 R CA 1.804 57.855 56.100 -0.082 0.000 0.959 620 R CB -0.222 30.002 30.300 -0.127 0.000 0.856 620 R HN 0.578 nan 8.270 nan 0.000 0.437 621 Q N -0.270 119.621 119.800 0.152 0.000 2.124 621 Q HA -0.200 4.141 4.340 0.002 0.000 0.202 621 Q C 2.203 178.182 176.000 -0.034 0.000 0.977 621 Q CA 1.809 57.744 55.803 0.219 0.000 0.850 621 Q CB -0.068 28.855 28.738 0.307 0.000 0.901 621 Q HN 0.456 nan 8.270 nan 0.000 0.429 622 M N 0.154 119.533 119.600 -0.368 0.000 2.159 622 M HA -0.204 4.277 4.480 0.002 0.000 0.263 622 M C 2.122 178.188 176.300 -0.390 0.000 1.063 622 M CA 1.382 56.234 55.300 -0.746 0.000 1.110 622 M CB -0.135 31.907 32.600 -0.929 0.000 1.374 622 M HN 0.214 nan 8.290 nan 0.000 0.411 623 E N -0.263 119.793 120.200 -0.241 0.000 2.107 623 E HA -0.126 4.225 4.350 0.002 0.000 0.191 623 E C 1.967 178.503 176.600 -0.107 0.000 0.982 623 E CA 1.172 57.475 56.400 -0.162 0.000 0.809 623 E CB -0.130 29.488 29.700 -0.136 0.000 0.756 623 E HN 0.523 nan 8.360 nan 0.000 0.459 624 G N 0.927 109.685 108.800 -0.070 0.000 2.440 624 G HA2 -0.277 3.684 3.960 0.002 0.000 0.218 624 G HA3 -0.277 3.684 3.960 0.002 0.000 0.218 624 G C 1.223 176.138 174.900 0.026 0.000 1.154 624 G CA 0.820 45.923 45.100 0.006 0.000 0.767 624 G HN 0.323 nan 8.290 nan 0.000 0.552 625 E N -0.146 120.063 120.200 0.016 0.000 2.502 625 E HA 0.261 4.612 4.350 0.002 0.000 0.194 625 E C 1.758 178.356 176.600 -0.005 0.000 1.062 625 E CA 0.188 56.615 56.400 0.046 0.000 0.867 625 E CB 0.037 29.819 29.700 0.137 0.000 0.888 625 E HN 0.444 nan 8.360 nan 0.000 0.510 626 G N 0.630 109.397 108.800 -0.055 0.000 2.157 626 G HA2 -0.301 3.660 3.960 0.002 0.000 0.248 626 G HA3 -0.301 3.660 3.960 0.002 0.000 0.248 626 G C 1.053 175.902 174.900 -0.085 0.000 0.979 626 G CA 0.368 45.434 45.100 -0.056 0.000 0.650 626 G HN 0.237 nan 8.290 nan 0.000 0.529 627 V N 0.162 119.983 119.914 -0.155 0.000 2.515 627 V HA 0.164 4.286 4.120 0.002 0.000 0.250 627 V C 1.541 177.531 176.094 -0.173 0.000 1.058 627 V CA 1.688 63.870 62.300 -0.196 0.000 1.064 627 V CB -0.165 31.410 31.823 -0.413 0.000 0.675 627 V HN 0.427 nan 8.190 nan 0.000 0.461 628 L N 0.928 122.044 121.223 -0.177 0.000 2.313 628 L HA 0.479 4.821 4.340 0.002 0.000 0.283 628 L C 0.173 176.985 176.870 -0.097 0.000 1.013 628 L CA -0.220 54.538 54.840 -0.136 0.000 0.816 628 L CB 1.858 43.825 42.059 -0.154 0.000 1.236 628 L HN 0.221 nan 8.230 nan 0.000 0.419 629 T N -1.909 112.600 114.554 -0.075 0.000 2.952 629 T HA 0.273 4.624 4.350 0.002 0.000 0.286 629 T C 0.851 175.518 174.700 -0.056 0.000 1.024 629 T CA -0.851 61.212 62.100 -0.062 0.000 1.029 629 T CB 2.211 71.049 68.868 -0.051 0.000 1.094 629 T HN 0.588 nan 8.240 nan 0.000 0.515 630 K N 0.448 120.814 120.400 -0.057 0.000 2.089 630 K HA -0.181 4.141 4.320 0.002 0.000 0.210 630 K C 2.363 178.938 176.600 -0.043 0.000 1.048 630 K CA 1.665 57.921 56.287 -0.052 0.000 0.926 630 K CB -0.852 31.607 32.500 -0.069 0.000 0.714 630 K HN 0.734 nan 8.250 nan 0.000 0.448 631 A N 1.337 124.132 122.820 -0.041 0.000 1.933 631 A HA -0.198 4.123 4.320 0.002 0.000 0.218 631 A C 1.682 179.248 177.584 -0.030 0.000 1.175 631 A CA 1.959 53.977 52.037 -0.032 0.000 0.628 631 A CB -0.486 18.498 19.000 -0.027 0.000 0.814 631 A HN 0.395 nan 8.150 nan 0.000 0.444 632 D N 0.168 120.546 120.400 -0.036 0.000 2.144 632 D HA -0.105 4.536 4.640 0.002 0.000 0.199 632 D C 1.888 178.164 176.300 -0.040 0.000 0.984 632 D CA 1.071 55.049 54.000 -0.038 0.000 0.834 632 D CB -0.264 40.506 40.800 -0.050 0.000 0.955 632 D HN 0.474 nan 8.370 nan 0.000 0.465 633 L N 0.649 121.848 121.223 -0.040 0.000 2.291 633 L HA -0.080 4.261 4.340 0.002 0.000 0.214 633 L C 1.902 178.751 176.870 -0.035 0.000 1.120 633 L CA 0.915 55.733 54.840 -0.036 0.000 0.799 633 L CB -0.247 41.795 42.059 -0.027 0.000 0.925 633 L HN -0.020 nan 8.230 nan 0.000 0.446 634 E N -0.791 119.388 120.200 -0.035 0.000 2.400 634 E HA -0.021 4.330 4.350 0.002 0.000 0.195 634 E C 0.451 177.019 176.600 -0.053 0.000 1.012 634 E CA -0.260 56.118 56.400 -0.037 0.000 0.875 634 E CB 0.138 29.820 29.700 -0.029 0.000 0.859 634 E HN 0.214 nan 8.360 nan 0.000 0.498 635 N N 2.106 120.775 118.700 -0.052 0.000 2.416 635 N HA 0.015 4.756 4.740 0.002 0.000 0.265 635 N C -2.040 173.381 175.510 -0.147 0.000 1.195 635 N CA -1.827 51.183 53.050 -0.066 0.000 0.943 635 N CB 1.040 39.514 38.487 -0.021 0.000 1.115 635 N HN -0.146 nan 8.380 nan 0.000 0.481 636 P HA 0.020 nan 4.420 nan 0.000 0.242 636 P C -0.435 176.483 177.300 -0.636 0.000 1.197 636 P CA 1.034 63.843 63.100 -0.485 0.000 0.765 636 P CB 0.165 31.491 31.700 -0.624 0.000 0.936 637 H N -1.556 117.512 119.070 -0.004 0.000 2.637 637 H HA 0.219 4.776 4.556 0.002 0.000 0.245 637 H C 0.253 175.580 175.328 -0.002 0.000 1.190 637 H CA -1.057 54.990 56.048 -0.002 0.000 0.934 637 H CB -0.127 29.634 29.762 -0.002 0.000 1.950 637 H HN 0.060 nan 8.280 nan 0.000 0.614 638 L N 1.962 123.206 121.223 0.036 0.000 2.540 638 L HA 0.036 4.377 4.340 0.002 0.000 0.276 638 L C -0.200 176.691 176.870 0.035 0.000 1.212 638 L CA 0.136 54.990 54.840 0.024 0.000 0.893 638 L CB 0.412 42.466 42.059 -0.008 0.000 1.138 638 L HN 0.162 nan 8.230 nan 0.000 0.491 639 L N 5.759 127.001 121.223 0.032 0.000 2.380 639 L HA 0.167 4.508 4.340 0.002 0.000 0.273 639 L C 1.292 178.177 176.870 0.025 0.000 1.138 639 L CA -0.134 54.725 54.840 0.032 0.000 0.832 639 L CB 0.675 42.751 42.059 0.028 0.000 1.124 639 L HN 0.745 nan 8.230 nan 0.000 0.454 640 E N 1.737 121.956 120.200 0.032 0.000 2.268 640 E HA -0.178 4.173 4.350 0.002 0.000 0.195 640 E C 1.688 178.309 176.600 0.035 0.000 0.995 640 E CA 0.630 57.052 56.400 0.036 0.000 0.836 640 E CB 0.162 29.891 29.700 0.048 0.000 0.763 640 E HN 0.468 nan 8.360 nan 0.000 0.491 641 K N 1.705 122.124 120.400 0.032 0.000 2.057 641 K HA -0.212 4.109 4.320 0.002 0.000 0.207 641 K C 2.164 178.786 176.600 0.036 0.000 1.049 641 K CA 1.612 57.920 56.287 0.035 0.000 0.931 641 K CB -0.005 32.514 32.500 0.031 0.000 0.714 641 K HN 0.039 nan 8.250 nan 0.000 0.440 642 K N 0.106 120.523 120.400 0.029 0.000 2.217 642 K HA -0.081 4.240 4.320 0.002 0.000 0.202 642 K C 1.897 178.530 176.600 0.055 0.000 1.051 642 K CA 1.111 57.420 56.287 0.038 0.000 0.952 642 K CB -0.105 32.406 32.500 0.018 0.000 0.736 642 K HN 0.086 nan 8.250 nan 0.000 0.453 643 I N 2.012 122.598 120.570 0.026 0.000 2.193 643 I HA -0.188 3.983 4.170 0.002 0.000 0.240 643 I C 2.121 178.270 176.117 0.055 0.000 1.084 643 I CA 1.301 62.615 61.300 0.024 0.000 1.365 643 I CB -0.465 37.528 38.000 -0.013 0.000 1.064 643 I HN 0.173 nan 8.210 nan 0.000 0.410 644 T N -0.106 114.471 114.554 0.039 0.000 2.665 644 T HA -0.321 4.030 4.350 0.002 0.000 0.268 644 T C 1.851 176.558 174.700 0.011 0.000 1.035 644 T CA 1.927 64.044 62.100 0.028 0.000 1.151 644 T CB -0.323 68.579 68.868 0.056 0.000 0.862 644 T HN 0.276 nan 8.240 nan 0.000 0.438 645 Q N -0.485 119.340 119.800 0.042 0.000 2.119 645 Q HA -0.067 4.275 4.340 0.002 0.000 0.201 645 Q C 1.884 177.898 176.000 0.024 0.000 0.972 645 Q CA 1.443 57.264 55.803 0.031 0.000 0.847 645 Q CB -0.475 28.289 28.738 0.043 0.000 0.903 645 Q HN 0.714 nan 8.270 nan 0.000 0.433 646 W N 0.174 121.399 121.300 -0.124 0.000 2.354 646 W HA -0.180 4.482 4.660 0.002 0.000 0.315 646 W C 1.491 177.850 176.519 -0.266 0.000 1.206 646 W CA 1.788 59.039 57.345 -0.156 0.000 1.290 646 W CB -0.330 29.046 29.460 -0.139 0.000 1.152 646 W HN 0.194 nan 8.180 nan 0.000 0.489 647 L N 0.274 121.422 121.223 -0.125 0.000 1.989 647 L HA -0.272 4.069 4.340 0.002 0.000 0.211 647 L C 2.405 178.875 176.870 -0.667 0.000 1.071 647 L CA 2.057 56.458 54.840 -0.732 0.000 0.749 647 L CB -1.091 40.340 42.059 -1.047 0.000 0.890 647 L HN 0.019 nan 8.230 nan 0.000 0.431 648 E N -0.795 119.228 120.200 -0.295 0.000 2.204 648 E HA -0.204 4.147 4.350 0.002 0.000 0.195 648 E C 2.019 178.575 176.600 -0.073 0.000 0.990 648 E CA 1.781 58.160 56.400 -0.035 0.000 0.821 648 E CB -0.028 29.696 29.700 0.039 0.000 0.750 648 E HN 0.653 nan 8.360 nan 0.000 0.477 649 T N -2.269 112.174 114.554 -0.186 0.000 3.034 649 T HA 0.130 4.482 4.350 0.002 0.000 0.248 649 T C 1.614 176.134 174.700 -0.300 0.000 1.040 649 T CA 0.128 62.114 62.100 -0.190 0.000 1.107 649 T CB 0.252 69.025 68.868 -0.158 0.000 0.932 649 T HN -0.064 nan 8.240 nan 0.000 0.474 650 K N 0.250 120.327 120.400 -0.538 0.000 2.481 650 K HA 0.372 4.693 4.320 0.002 0.000 0.210 650 K C 2.229 178.376 176.600 -0.755 0.000 1.161 650 K CA 0.232 56.097 56.287 -0.702 0.000 1.023 650 K CB 0.456 32.307 32.500 -1.081 0.000 0.971 650 K HN 0.285 nan 8.250 nan 0.000 0.577 651 G N 1.644 110.016 108.800 -0.713 0.000 2.586 651 G HA2 -0.269 3.692 3.960 0.002 0.000 0.218 651 G HA3 -0.269 3.692 3.960 0.002 0.000 0.218 651 G C 1.471 176.343 174.900 -0.046 0.000 1.216 651 G CA 1.266 46.018 45.100 -0.580 0.000 0.786 651 G HN 0.048 nan 8.290 nan 0.000 0.583 652 V N 0.877 120.834 119.914 0.071 0.000 2.287 652 V HA -0.187 3.934 4.120 0.002 0.000 0.248 652 V C 2.747 178.685 176.094 -0.260 0.000 1.053 652 V CA 2.226 64.418 62.300 -0.179 0.000 1.027 652 V CB -0.433 31.144 31.823 -0.409 0.000 0.646 652 V HN 0.452 nan 8.190 nan 0.000 0.447 653 E N 0.441 120.506 120.200 -0.226 0.000 2.097 653 E HA -0.255 4.096 4.350 0.002 0.000 0.196 653 E C 2.391 178.913 176.600 -0.130 0.000 1.000 653 E CA 1.381 57.672 56.400 -0.181 0.000 0.804 653 E CB -0.105 29.490 29.700 -0.176 0.000 0.740 653 E HN 0.430 nan 8.360 nan 0.000 0.454 654 R N 0.110 120.524 120.500 -0.143 0.000 2.148 654 R HA -0.018 4.323 4.340 0.002 0.000 0.227 654 R C 2.579 178.899 176.300 0.032 0.000 1.103 654 R CA 0.398 56.472 56.100 -0.044 0.000 0.983 654 R CB -0.696 29.594 30.300 -0.017 0.000 0.874 654 R HN 0.315 nan 8.270 nan 0.000 0.451 655 L N 0.631 121.881 121.223 0.045 0.000 2.201 655 L HA -0.086 4.255 4.340 0.002 0.000 0.212 655 L C 2.096 179.023 176.870 0.094 0.000 1.105 655 L CA 1.183 56.093 54.840 0.116 0.000 0.775 655 L CB -0.301 41.877 42.059 0.199 0.000 0.913 655 L HN 0.094 nan 8.230 nan 0.000 0.440 656 K N 0.200 120.614 120.400 0.023 0.000 2.439 656 K HA -0.055 4.266 4.320 0.002 0.000 0.197 656 K C 1.591 178.202 176.600 0.018 0.000 1.041 656 K CA 0.577 56.887 56.287 0.037 0.000 0.970 656 K CB 0.054 32.549 32.500 -0.010 0.000 0.773 656 K HN 0.293 nan 8.250 nan 0.000 0.479 657 R N 0.063 120.566 120.500 0.005 0.000 2.335 657 R HA 0.202 4.543 4.340 0.002 0.000 0.223 657 R C 0.220 176.506 176.300 -0.023 0.000 0.940 657 R CA 0.213 56.304 56.100 -0.015 0.000 1.086 657 R CB 0.168 30.457 30.300 -0.019 0.000 1.073 657 R HN 0.078 nan 8.270 nan 0.000 0.504 658 M N -0.300 119.298 119.600 -0.002 0.000 2.518 658 M HA 0.496 4.977 4.480 0.002 0.000 0.300 658 M C -1.251 175.029 176.300 -0.032 0.000 1.175 658 M CA -0.883 54.411 55.300 -0.010 0.000 0.890 658 M CB 2.578 35.204 32.600 0.044 0.000 1.710 658 M HN -0.116 nan 8.290 nan 0.000 0.453 659 A N 3.438 126.192 122.820 -0.111 0.000 2.319 659 A HA 0.894 5.215 4.320 0.002 0.000 0.310 659 A C -1.108 176.492 177.584 0.027 0.000 1.152 659 A CA -0.511 51.438 52.037 -0.147 0.000 0.783 659 A CB 0.735 19.397 19.000 -0.563 0.000 1.184 659 A HN 0.842 nan 8.150 nan 0.000 0.474 660 I N 1.356 122.044 120.570 0.197 0.000 2.534 660 I HA 0.438 4.609 4.170 0.002 0.000 0.288 660 I C -0.177 176.071 176.117 0.218 0.000 1.077 660 I CA -0.255 61.168 61.300 0.204 0.000 1.051 660 I CB 2.518 40.559 38.000 0.069 0.000 1.234 660 I HN 0.508 nan 8.210 nan 0.000 0.425 661 S N 3.930 119.738 115.700 0.181 0.000 2.746 661 S HA 0.639 5.110 4.470 0.002 0.000 0.273 661 S C 0.387 174.939 174.600 -0.080 0.000 1.172 661 S CA 0.279 58.575 58.200 0.160 0.000 1.116 661 S CB 0.857 64.252 63.200 0.326 0.000 1.057 661 S HN 1.107 nan 8.310 nan 0.000 0.483 662 G N 4.865 113.344 108.800 -0.536 0.000 2.685 662 G HA2 -0.380 3.581 3.960 0.002 0.000 0.329 662 G HA3 -0.380 3.581 3.960 0.002 0.000 0.329 662 G C 0.502 175.054 174.900 -0.580 0.000 1.271 662 G CA 1.106 45.889 45.100 -0.529 0.000 1.003 662 G HN 0.816 nan 8.290 nan 0.000 0.549 663 D N 1.010 121.024 120.400 -0.643 0.000 2.355 663 D HA 0.109 4.750 4.640 0.002 0.000 0.218 663 D C 0.461 176.531 176.300 -0.384 0.000 1.004 663 D CA 0.667 54.106 54.000 -0.935 0.000 0.880 663 D CB -0.219 40.034 40.800 -0.912 0.000 0.911 663 D HN 0.373 nan 8.370 nan 0.000 0.528 664 D N 0.698 121.002 120.400 -0.160 0.000 2.348 664 D HA 0.148 4.790 4.640 0.002 0.000 0.253 664 D C -0.078 176.329 176.300 0.177 0.000 1.161 664 D CA -0.034 53.991 54.000 0.041 0.000 0.876 664 D CB 1.278 42.075 40.800 -0.005 0.000 1.160 664 D HN 0.336 nan 8.370 nan 0.000 0.459 665 C N 1.094 120.528 119.300 0.223 0.000 2.797 665 C HA 0.800 5.261 4.460 0.002 0.000 0.306 665 C C -0.655 174.454 174.990 0.199 0.000 1.207 665 C CA -0.749 58.396 59.018 0.211 0.000 1.507 665 C CB 0.969 28.780 27.740 0.118 0.000 2.028 665 C HN 0.295 nan 8.230 nan 0.000 0.475 666 V N 2.810 122.752 119.914 0.047 0.000 2.588 666 V HA 0.764 4.885 4.120 0.002 0.000 0.304 666 V C -0.469 175.618 176.094 -0.011 0.000 1.042 666 V CA -0.302 61.993 62.300 -0.009 0.000 0.877 666 V CB 1.654 33.338 31.823 -0.231 0.000 0.996 666 V HN 0.912 nan 8.190 nan 0.000 0.425 667 V N 4.079 124.012 119.914 0.032 0.000 2.638 667 V HA 0.529 4.651 4.120 0.002 0.000 0.306 667 V C -0.347 175.690 176.094 -0.094 0.000 1.052 667 V CA -0.930 61.331 62.300 -0.065 0.000 0.885 667 V CB 2.111 33.840 31.823 -0.156 0.000 0.999 667 V HN 0.851 nan 8.190 nan 0.000 0.424 668 K N 6.213 126.553 120.400 -0.101 0.000 2.478 668 K HA 0.462 4.783 4.320 0.002 0.000 0.236 668 K C -2.626 173.920 176.600 -0.091 0.000 1.021 668 K CA -1.765 54.484 56.287 -0.062 0.000 1.010 668 K CB 1.644 34.130 32.500 -0.023 0.000 1.331 668 K HN 0.430 nan 8.250 nan 0.000 0.470 669 P HA 0.033 nan 4.420 nan 0.000 0.274 669 P C 0.965 178.275 177.300 0.017 0.000 1.256 669 P CA -0.301 62.732 63.100 -0.111 0.000 0.795 669 P CB 0.554 32.129 31.700 -0.208 0.000 1.038 670 I N -1.961 118.642 120.570 0.056 0.000 2.614 670 I HA -0.093 4.078 4.170 0.002 0.000 0.258 670 I C 0.269 176.435 176.117 0.082 0.000 1.189 670 I CA 1.145 62.484 61.300 0.065 0.000 1.462 670 I CB -0.679 37.365 38.000 0.073 0.000 1.092 670 I HN 0.279 nan 8.210 nan 0.000 0.442 671 D N -1.435 119.028 120.400 0.105 0.000 2.921 671 D HA 0.202 4.843 4.640 0.002 0.000 0.329 671 D C -0.450 175.955 176.300 0.174 0.000 1.293 671 D CA -0.588 53.487 54.000 0.125 0.000 0.964 671 D CB 0.210 41.072 40.800 0.103 0.000 1.435 671 D HN -0.131 nan 8.370 nan 0.000 0.548 672 D N -1.217 119.295 120.400 0.185 0.000 2.368 672 D HA 0.141 4.782 4.640 0.002 0.000 0.218 672 D C 1.240 177.645 176.300 0.175 0.000 1.112 672 D CA 0.024 54.173 54.000 0.249 0.000 0.834 672 D CB 0.312 41.274 40.800 0.270 0.000 0.953 672 D HN 0.275 nan 8.370 nan 0.000 0.505 673 R N 0.055 120.632 120.500 0.129 0.000 2.105 673 R HA -0.145 4.196 4.340 0.002 0.000 0.239 673 R C 1.992 178.322 176.300 0.051 0.000 1.135 673 R CA 0.781 56.927 56.100 0.077 0.000 0.967 673 R CB -0.448 29.888 30.300 0.060 0.000 0.861 673 R HN 0.149 nan 8.270 nan 0.000 0.442 674 F N 1.828 121.719 119.950 -0.098 0.000 2.111 674 F HA -0.360 4.168 4.527 0.002 0.000 0.300 674 F C 2.310 177.907 175.800 -0.339 0.000 1.088 674 F CA 1.709 59.576 58.000 -0.222 0.000 1.243 674 F CB -0.356 38.464 39.000 -0.300 0.000 0.996 674 F HN 0.057 nan 8.300 nan 0.000 0.483 675 A N -0.189 122.524 122.820 -0.177 0.000 1.986 675 A HA -0.268 4.053 4.320 0.002 0.000 0.220 675 A C 1.735 179.237 177.584 -0.136 0.000 1.171 675 A CA 2.247 54.185 52.037 -0.166 0.000 0.640 675 A CB -0.709 18.381 19.000 0.151 0.000 0.811 675 A HN 0.573 nan 8.150 nan 0.000 0.451 676 N N -1.094 117.542 118.700 -0.106 0.000 2.205 676 N HA 0.268 5.009 4.740 0.002 0.000 0.201 676 N C 0.249 175.709 175.510 -0.083 0.000 1.128 676 N CA 0.651 53.666 53.050 -0.058 0.000 0.867 676 N CB 0.170 38.649 38.487 -0.014 0.000 0.996 676 N HN 0.346 nan 8.380 nan 0.000 0.503 677 A N 0.881 123.587 122.820 -0.190 0.000 2.666 677 A HA 0.272 4.593 4.320 0.002 0.000 0.301 677 A C 0.703 178.178 177.584 -0.181 0.000 1.470 677 A CA 0.085 52.012 52.037 -0.183 0.000 1.159 677 A CB -0.745 18.106 19.000 -0.249 0.000 1.116 677 A HN 0.270 nan 8.150 nan 0.000 0.548 678 L N 2.014 123.234 121.223 -0.005 0.000 2.817 678 L HA 0.143 4.484 4.340 0.002 0.000 0.248 678 L C 1.731 178.729 176.870 0.214 0.000 1.133 678 L CA 0.054 54.934 54.840 0.068 0.000 0.935 678 L CB -0.105 42.061 42.059 0.178 0.000 1.266 678 L HN 0.673 nan 8.230 nan 0.000 0.535 679 L N 0.514 121.877 121.223 0.233 0.000 1.970 679 L HA -0.203 4.139 4.340 0.002 0.000 0.212 679 L C 2.872 179.812 176.870 0.117 0.000 1.071 679 L CA 1.829 56.819 54.840 0.249 0.000 0.751 679 L CB -0.741 41.367 42.059 0.082 0.000 0.889 679 L HN 0.303 nan 8.230 nan 0.000 0.432 680 A N -0.351 122.481 122.820 0.019 0.000 1.930 680 A HA -0.177 4.144 4.320 0.002 0.000 0.217 680 A C 2.210 179.774 177.584 -0.035 0.000 1.175 680 A CA 1.441 53.467 52.037 -0.019 0.000 0.627 680 A CB -0.676 18.293 19.000 -0.052 0.000 0.815 680 A HN 0.330 nan 8.150 nan 0.000 0.443 681 L N 0.581 121.770 121.223 -0.058 0.000 2.042 681 L HA -0.193 4.148 4.340 0.002 0.000 0.210 681 L C 1.847 178.663 176.870 -0.089 0.000 1.076 681 L CA 2.485 57.283 54.840 -0.071 0.000 0.749 681 L CB -0.769 41.228 42.059 -0.103 0.000 0.893 681 L HN 0.491 nan 8.230 nan 0.000 0.432 682 N N -0.958 117.668 118.700 -0.124 0.000 2.188 682 N HA -0.199 4.542 4.740 0.002 0.000 0.184 682 N C 1.409 176.859 175.510 -0.100 0.000 1.018 682 N CA 1.228 54.165 53.050 -0.188 0.000 0.858 682 N CB -0.115 38.123 38.487 -0.416 0.000 0.989 682 N HN 0.445 nan 8.380 nan 0.000 0.426 683 D N 0.287 120.666 120.400 -0.035 0.000 2.183 683 D HA 0.012 4.653 4.640 0.002 0.000 0.203 683 D C 1.686 177.964 176.300 -0.037 0.000 0.969 683 D CA 0.746 54.738 54.000 -0.014 0.000 0.842 683 D CB 0.162 40.971 40.800 0.015 0.000 0.957 683 D HN 0.160 nan 8.370 nan 0.000 0.484 684 M N -1.010 118.562 119.600 -0.047 0.000 2.549 684 M HA 0.083 4.565 4.480 0.002 0.000 0.260 684 M C 1.442 177.687 176.300 -0.091 0.000 1.076 684 M CA 1.194 56.459 55.300 -0.058 0.000 1.090 684 M CB 0.257 32.828 32.600 -0.048 0.000 1.418 684 M HN 0.300 nan 8.290 nan 0.000 0.486 685 G N 0.264 109.005 108.800 -0.098 0.000 2.175 685 G HA2 -0.186 3.775 3.960 0.002 0.000 0.244 685 G HA3 -0.186 3.775 3.960 0.002 0.000 0.244 685 G C 0.063 174.877 174.900 -0.143 0.000 0.982 685 G CA -0.269 44.759 45.100 -0.121 0.000 0.641 685 G HN 0.316 nan 8.290 nan 0.000 0.527 686 K N 1.462 121.788 120.400 -0.123 0.000 2.518 686 K HA 0.474 4.795 4.320 0.002 0.000 0.244 686 K C 0.496 177.075 176.600 -0.036 0.000 1.232 686 K CA -0.284 55.956 56.287 -0.079 0.000 1.189 686 K CB 1.018 33.517 32.500 -0.002 0.000 1.737 686 K HN 0.248 nan 8.250 nan 0.000 0.333 687 V N 2.274 122.149 119.914 -0.065 0.000 2.555 687 V HA 0.117 4.238 4.120 0.002 0.000 0.286 687 V C 0.959 177.037 176.094 -0.026 0.000 1.044 687 V CA -0.428 61.820 62.300 -0.087 0.000 1.026 687 V CB 0.431 32.184 31.823 -0.117 0.000 0.981 687 V HN 0.462 nan 8.190 nan 0.000 0.480 688 R N 3.130 123.609 120.500 -0.035 0.000 2.694 688 R HA 0.254 4.595 4.340 0.002 0.000 0.268 688 R C 0.135 176.444 176.300 0.015 0.000 1.061 688 R CA -0.398 55.712 56.100 0.017 0.000 1.133 688 R CB 0.612 30.918 30.300 0.010 0.000 1.020 688 R HN 0.573 nan 8.270 nan 0.000 0.475 689 K N 1.771 122.201 120.400 0.051 0.000 2.270 689 K HA -0.051 4.270 4.320 0.002 0.000 0.276 689 K C -0.607 176.015 176.600 0.036 0.000 1.023 689 K CA -0.102 56.213 56.287 0.046 0.000 0.955 689 K CB 0.585 33.128 32.500 0.072 0.000 0.975 689 K HN 0.571 nan 8.250 nan 0.000 0.471 690 D N 1.823 122.236 120.400 0.022 0.000 2.697 690 D HA -0.249 4.392 4.640 0.002 0.000 0.238 690 D C -0.622 175.686 176.300 0.013 0.000 1.152 690 D CA 1.129 55.141 54.000 0.020 0.000 0.666 690 D CB -0.983 39.836 40.800 0.033 0.000 1.037 690 D HN 0.500 nan 8.370 nan 0.000 0.423 691 I N -0.611 119.956 120.570 -0.004 0.000 2.731 691 I HA 0.205 4.376 4.170 0.002 0.000 0.289 691 I C -2.360 173.735 176.117 -0.037 0.000 1.399 691 I CA -1.762 59.531 61.300 -0.012 0.000 1.048 691 I CB 1.967 39.964 38.000 -0.005 0.000 1.345 691 I HN -0.327 nan 8.210 nan 0.000 0.425 692 P HA 0.047 nan 4.420 nan 0.000 0.263 692 P C 0.257 177.494 177.300 -0.106 0.000 1.175 692 P CA 0.148 63.224 63.100 -0.040 0.000 0.761 692 P CB 0.567 32.273 31.700 0.009 0.000 0.794 693 Q N 0.865 120.530 119.800 -0.225 0.000 2.197 693 Q HA -0.214 4.127 4.340 0.002 0.000 0.211 693 Q C 0.731 176.383 176.000 -0.580 0.000 0.993 693 Q CA 1.957 57.446 55.803 -0.523 0.000 0.883 693 Q CB -0.110 28.131 28.738 -0.828 0.000 0.916 693 Q HN 0.660 nan 8.270 nan 0.000 0.418 694 W N -0.163 121.122 121.300 -0.025 0.000 3.008 694 W HA 0.196 4.857 4.660 0.002 0.000 0.355 694 W C 0.533 177.033 176.519 -0.032 0.000 1.095 694 W CA -0.848 56.477 57.345 -0.033 0.000 1.738 694 W CB 0.664 30.106 29.460 -0.031 0.000 1.091 694 W HN 0.018 nan 8.180 nan 0.000 0.574 695 Q N 3.378 123.259 119.800 0.135 0.000 2.313 695 Q HA 0.104 4.445 4.340 0.002 0.000 0.266 695 Q C -1.956 174.076 176.000 0.054 0.000 0.989 695 Q CA -2.019 53.832 55.803 0.080 0.000 0.890 695 Q CB 1.007 29.770 28.738 0.041 0.000 1.200 695 Q HN -0.199 nan 8.270 nan 0.000 0.396 696 P HA -0.030 nan 4.420 nan 0.000 0.268 696 P C -0.900 176.424 177.300 0.040 0.000 1.205 696 P CA 0.092 63.214 63.100 0.037 0.000 0.771 696 P CB 0.789 32.517 31.700 0.047 0.000 0.858 697 S N 1.844 117.577 115.700 0.055 0.000 2.560 697 S HA 0.050 4.521 4.470 0.002 0.000 0.284 697 S C 0.480 175.156 174.600 0.127 0.000 1.327 697 S CA -0.413 57.855 58.200 0.113 0.000 1.055 697 S CB 0.121 63.450 63.200 0.215 0.000 0.868 697 S HN 0.431 nan 8.310 nan 0.000 0.506 698 K N 1.876 122.246 120.400 -0.049 0.000 2.349 698 K HA 0.373 4.694 4.320 0.002 0.000 0.288 698 K C 0.337 176.620 176.600 -0.528 0.000 1.058 698 K CA -0.365 55.750 56.287 -0.286 0.000 0.953 698 K CB 0.073 32.315 32.500 -0.431 0.000 0.997 698 K HN 0.654 nan 8.250 nan 0.000 0.477 699 G N 3.731 112.155 108.800 -0.627 0.000 2.410 699 G HA2 0.349 4.310 3.960 0.002 0.000 0.330 699 G HA3 0.349 4.310 3.960 0.002 0.000 0.330 699 G C -1.278 173.089 174.900 -0.887 0.000 1.142 699 G CA -0.864 43.621 45.100 -1.025 0.000 0.902 699 G HN 0.606 nan 8.290 nan 0.000 0.491 700 W N 0.878 121.881 121.300 -0.495 0.000 2.478 700 W HA 0.323 4.984 4.660 0.002 0.000 0.318 700 W C 0.329 176.628 176.519 -0.368 0.000 1.062 700 W CA -0.551 56.591 57.345 -0.338 0.000 1.210 700 W CB 1.350 30.711 29.460 -0.165 0.000 1.325 700 W HN 0.648 nan 8.180 nan 0.000 0.496 701 H N 0.642 119.782 119.070 0.117 0.000 2.551 701 H HA -0.007 4.550 4.556 0.002 0.000 0.266 701 H C -0.136 175.249 175.328 0.095 0.000 0.964 701 H CA 0.818 56.911 56.048 0.076 0.000 1.180 701 H CB 0.513 30.297 29.762 0.035 0.000 1.408 701 H HN 0.193 nan 8.280 nan 0.000 0.563 702 D N 0.733 121.242 120.400 0.181 0.000 2.344 702 D HA -0.019 4.622 4.640 0.002 0.000 0.239 702 D C 1.292 177.588 176.300 -0.006 0.000 1.064 702 D CA -0.797 53.223 54.000 0.034 0.000 0.829 702 D CB 0.740 41.508 40.800 -0.053 0.000 1.129 702 D HN 0.254 nan 8.370 nan 0.000 0.506 703 W N 3.394 124.703 121.300 0.014 0.000 2.421 703 W HA -0.111 4.550 4.660 0.002 0.000 0.270 703 W C 0.754 177.241 176.519 -0.053 0.000 1.233 703 W CA 0.195 57.517 57.345 -0.039 0.000 1.226 703 W CB -0.604 28.824 29.460 -0.054 0.000 1.121 703 W HN 0.441 nan 8.180 nan 0.000 0.579 704 Q N 0.634 120.018 119.800 -0.694 0.000 2.291 704 Q HA -0.156 4.185 4.340 0.002 0.000 0.205 704 Q C 2.371 178.182 176.000 -0.316 0.000 0.970 704 Q CA 1.298 56.742 55.803 -0.599 0.000 0.876 704 Q CB -0.144 28.132 28.738 -0.770 0.000 0.935 704 Q HN 0.298 nan 8.270 nan 0.000 0.455 705 Q N -0.213 119.408 119.800 -0.297 0.000 2.331 705 Q HA 0.021 4.362 4.340 0.002 0.000 0.203 705 Q C 0.189 175.773 176.000 -0.692 0.000 0.944 705 Q CA 0.349 55.915 55.803 -0.395 0.000 0.892 705 Q CB 0.360 28.945 28.738 -0.256 0.000 0.983 705 Q HN 0.174 nan 8.270 nan 0.000 0.482 706 V N 5.266 124.861 119.914 -0.532 0.000 2.446 706 V HA 0.068 4.189 4.120 0.002 0.000 0.276 706 V C -1.979 173.938 176.094 -0.295 0.000 1.030 706 V CA -0.965 60.957 62.300 -0.630 0.000 1.033 706 V CB 0.386 32.073 31.823 -0.226 0.000 0.993 706 V HN 0.108 nan 8.190 nan 0.000 0.477 707 P HA 0.377 nan 4.420 nan 0.000 0.275 707 P C -0.997 176.430 177.300 0.211 0.000 1.227 707 P CA -0.199 62.877 63.100 -0.039 0.000 0.781 707 P CB 0.766 32.425 31.700 -0.069 0.000 0.906 708 F N 3.389 123.405 119.950 0.109 0.000 2.639 708 F HA 0.194 4.722 4.527 0.002 0.000 0.326 708 F C -0.746 175.182 175.800 0.213 0.000 1.150 708 F CA -0.677 57.420 58.000 0.161 0.000 1.057 708 F CB 0.487 39.602 39.000 0.191 0.000 1.300 708 F HN 0.569 nan 8.300 nan 0.000 0.486 709 C N 4.271 123.400 119.300 -0.286 0.000 4.167 709 C HA -0.114 4.347 4.460 0.002 0.000 0.302 709 C C 1.323 176.394 174.990 0.135 0.000 1.384 709 C CA 0.976 59.903 59.018 -0.152 0.000 2.041 709 C CB -3.274 24.238 27.740 -0.381 0.000 1.303 709 C HN 1.406 nan 8.230 nan 0.000 0.718 710 S N -3.077 112.665 115.700 0.069 0.000 3.011 710 S HA -0.251 4.220 4.470 0.002 0.000 0.278 710 S C 0.033 174.502 174.600 -0.219 0.000 1.300 710 S CA 2.028 60.212 58.200 -0.026 0.000 1.248 710 S CB -1.102 62.077 63.200 -0.035 0.000 1.517 710 S HN 0.998 nan 8.310 nan 0.000 0.685 711 H N 0.561 119.581 119.070 -0.084 0.000 2.737 711 H HA 0.764 5.322 4.556 0.002 0.000 0.358 711 H C 0.604 175.730 175.328 -0.336 0.000 1.187 711 H CA -0.359 55.498 56.048 -0.320 0.000 1.221 711 H CB 0.910 30.345 29.762 -0.546 0.000 1.799 711 H HN 0.486 nan 8.280 nan 0.000 0.568 712 H N -0.632 118.206 119.070 -0.387 0.000 2.896 712 H HA 0.516 5.073 4.556 0.002 0.000 0.318 712 H C -1.308 173.501 175.328 -0.866 0.000 1.409 712 H CA -0.949 54.844 56.048 -0.425 0.000 1.328 712 H CB 1.179 30.755 29.762 -0.309 0.000 1.940 712 H HN 0.387 nan 8.280 nan 0.000 0.665 713 F N -0.117 119.769 119.950 -0.107 0.000 2.578 713 F HA 0.369 4.898 4.527 0.002 0.000 0.311 713 F C -0.081 175.508 175.800 -0.351 0.000 1.094 713 F CA -0.731 57.179 58.000 -0.149 0.000 0.923 713 F CB 2.012 41.059 39.000 0.079 0.000 1.230 713 F HN 0.435 nan 8.300 nan 0.000 0.450 714 H N 0.722 119.845 119.070 0.088 0.000 2.622 714 H HA 0.303 4.860 4.556 0.002 0.000 0.363 714 H C -1.064 174.259 175.328 -0.009 0.000 1.151 714 H CA -0.784 55.231 56.048 -0.054 0.000 1.184 714 H CB 2.562 32.265 29.762 -0.099 0.000 1.643 714 H HN 0.639 nan 8.280 nan 0.000 0.531 715 E N 2.705 122.982 120.200 0.129 0.000 2.227 715 E HA 0.362 4.713 4.350 0.002 0.000 0.282 715 E C -0.899 175.751 176.600 0.083 0.000 1.015 715 E CA -0.532 55.963 56.400 0.159 0.000 0.823 715 E CB 0.751 30.603 29.700 0.254 0.000 1.081 715 E HN 0.365 nan 8.360 nan 0.000 0.396 716 L N 4.863 126.124 121.223 0.063 0.000 2.346 716 L HA 0.482 4.823 4.340 0.002 0.000 0.274 716 L C -0.359 176.564 176.870 0.088 0.000 1.007 716 L CA -1.150 53.723 54.840 0.055 0.000 0.818 716 L CB 1.627 43.708 42.059 0.037 0.000 1.284 716 L HN 0.503 nan 8.230 nan 0.000 0.424 717 I N 2.854 123.473 120.570 0.080 0.000 2.328 717 I HA 0.316 4.487 4.170 0.002 0.000 0.287 717 I C 0.268 176.435 176.117 0.083 0.000 1.012 717 I CA -0.268 61.083 61.300 0.086 0.000 1.195 717 I CB 1.273 39.316 38.000 0.072 0.000 1.350 717 I HN 0.652 nan 8.210 nan 0.000 0.464 718 M N 4.851 124.508 119.600 0.095 0.000 2.232 718 M HA 0.123 4.604 4.480 0.002 0.000 0.321 718 M C 1.484 177.821 176.300 0.063 0.000 1.101 718 M CA 0.120 55.470 55.300 0.083 0.000 1.181 718 M CB 0.772 33.432 32.600 0.101 0.000 1.432 718 M HN 0.423 nan 8.290 nan 0.000 0.457 719 K N 0.942 121.370 120.400 0.047 0.000 2.152 719 K HA -0.208 4.113 4.320 0.002 0.000 0.206 719 K C 0.947 177.570 176.600 0.038 0.000 1.048 719 K CA 2.009 58.319 56.287 0.039 0.000 0.933 719 K CB -0.305 32.212 32.500 0.028 0.000 0.721 719 K HN 0.746 nan 8.250 nan 0.000 0.447 720 D N -1.812 118.613 120.400 0.042 0.000 2.340 720 D HA 0.048 4.689 4.640 0.002 0.000 0.220 720 D C 1.003 177.334 176.300 0.052 0.000 1.039 720 D CA 0.603 54.629 54.000 0.043 0.000 0.866 720 D CB 0.546 41.370 40.800 0.041 0.000 0.913 720 D HN 0.211 nan 8.370 nan 0.000 0.523 721 G N -0.129 108.707 108.800 0.061 0.000 2.213 721 G HA2 -0.292 3.669 3.960 0.002 0.000 0.226 721 G HA3 -0.292 3.669 3.960 0.002 0.000 0.226 721 G C 0.442 175.391 174.900 0.082 0.000 0.992 721 G CA -0.224 44.915 45.100 0.065 0.000 0.632 721 G HN 0.378 nan 8.290 nan 0.000 0.511 722 R N 0.421 120.977 120.500 0.094 0.000 2.707 722 R HA 0.593 4.934 4.340 0.002 0.000 0.270 722 R C 0.145 176.528 176.300 0.137 0.000 1.083 722 R CA 0.157 56.328 56.100 0.118 0.000 1.182 722 R CB 0.445 30.823 30.300 0.130 0.000 1.084 722 R HN 0.197 nan 8.270 nan 0.000 0.528 723 K N 1.306 121.806 120.400 0.167 0.000 2.259 723 K HA 0.443 4.765 4.320 0.002 0.000 0.252 723 K C -0.929 175.811 176.600 0.233 0.000 0.936 723 K CA -0.544 55.851 56.287 0.180 0.000 0.810 723 K CB 1.636 34.244 32.500 0.181 0.000 1.143 723 K HN 0.255 nan 8.250 nan 0.000 0.427 724 L N 2.148 123.479 121.223 0.179 0.000 2.346 724 L HA 0.544 4.885 4.340 0.002 0.000 0.274 724 L C -0.758 176.101 176.870 -0.018 0.000 1.007 724 L CA -1.316 53.618 54.840 0.156 0.000 0.818 724 L CB 2.016 44.102 42.059 0.046 0.000 1.284 724 L HN 0.251 nan 8.230 nan 0.000 0.424 725 V N 3.199 122.930 119.914 -0.305 0.000 2.384 725 V HA 0.502 4.624 4.120 0.002 0.000 0.287 725 V C -0.182 175.782 176.094 -0.216 0.000 1.020 725 V CA -0.652 61.404 62.300 -0.407 0.000 0.850 725 V CB 1.812 33.096 31.823 -0.898 0.000 0.987 725 V HN 0.512 nan 8.190 nan 0.000 0.436 726 V N 3.895 123.771 119.914 -0.064 0.000 2.735 726 V HA 0.778 4.899 4.120 0.002 0.000 0.310 726 V C -2.689 173.464 176.094 0.099 0.000 1.061 726 V CA -2.595 59.672 62.300 -0.056 0.000 0.913 726 V CB 2.200 33.680 31.823 -0.572 0.000 1.005 726 V HN 0.651 nan 8.190 nan 0.000 0.428 727 P HA 0.444 nan 4.420 nan 0.000 0.278 727 P C -0.737 176.601 177.300 0.064 0.000 1.238 727 P CA -0.141 62.906 63.100 -0.087 0.000 0.794 727 P CB 1.524 33.172 31.700 -0.087 0.000 0.955 728 C N 3.646 122.852 119.300 -0.157 0.000 3.171 728 C HA 0.776 5.237 4.460 0.002 0.000 0.336 728 C C -1.115 173.513 174.990 -0.603 0.000 1.198 728 C CA -0.356 58.598 59.018 -0.107 0.000 1.319 728 C CB 1.434 29.186 27.740 0.021 0.000 1.682 728 C HN 0.921 nan 8.230 nan 0.000 0.497 729 R N 3.046 123.348 120.500 -0.331 0.000 2.734 729 R HA 0.655 4.996 4.340 0.002 0.000 0.271 729 R C -3.267 172.977 176.300 -0.094 0.000 1.021 729 R CA -1.420 54.519 56.100 -0.268 0.000 0.893 729 R CB 0.722 30.756 30.300 -0.444 0.000 1.244 729 R HN 0.394 nan 8.270 nan 0.000 0.464 730 P HA -0.074 nan 4.420 nan 0.000 0.261 730 P C 0.009 177.231 177.300 -0.129 0.000 1.183 730 P CA 0.245 63.332 63.100 -0.022 0.000 0.761 730 P CB 0.749 32.443 31.700 -0.010 0.000 0.785 731 Q N 2.762 122.478 119.800 -0.141 0.000 2.135 731 Q HA -0.252 4.089 4.340 0.002 0.000 0.204 731 Q C 0.942 176.768 176.000 -0.291 0.000 0.981 731 Q CA 1.725 57.364 55.803 -0.274 0.000 0.856 731 Q CB -0.157 28.443 28.738 -0.229 0.000 0.902 731 Q HN 0.403 nan 8.270 nan 0.000 0.425 732 D N 0.458 120.771 120.400 -0.145 0.000 2.190 732 D HA -0.193 4.448 4.640 0.002 0.000 0.200 732 D C 1.498 177.719 176.300 -0.131 0.000 0.992 732 D CA 1.397 55.335 54.000 -0.103 0.000 0.854 732 D CB -0.081 40.722 40.800 0.005 0.000 0.936 732 D HN 0.499 nan 8.370 nan 0.000 0.462 733 E N -0.045 120.073 120.200 -0.136 0.000 2.107 733 E HA -0.061 4.290 4.350 0.002 0.000 0.191 733 E C 2.359 178.869 176.600 -0.149 0.000 0.982 733 E CA 0.307 56.636 56.400 -0.118 0.000 0.809 733 E CB 0.008 29.639 29.700 -0.115 0.000 0.756 733 E HN 0.264 nan 8.360 nan 0.000 0.459 734 L N 0.494 121.565 121.223 -0.253 0.000 2.005 734 L HA -0.167 4.174 4.340 0.002 0.000 0.207 734 L C 2.432 179.233 176.870 -0.116 0.000 1.072 734 L CA 1.013 55.706 54.840 -0.246 0.000 0.744 734 L CB -0.297 41.409 42.059 -0.589 0.000 0.895 734 L HN 0.113 nan 8.230 nan 0.000 0.433 735 I N -0.162 120.228 120.570 -0.301 0.000 2.315 735 I HA -0.191 3.980 4.170 0.002 0.000 0.248 735 I C 2.559 178.583 176.117 -0.156 0.000 1.117 735 I CA 1.418 62.561 61.300 -0.261 0.000 1.404 735 I CB -0.677 36.910 38.000 -0.687 0.000 1.071 735 I HN 0.260 nan 8.210 nan 0.000 0.419 736 G N 0.114 108.831 108.800 -0.138 0.000 2.422 736 G HA2 -0.254 3.707 3.960 0.002 0.000 0.218 736 G HA3 -0.254 3.707 3.960 0.002 0.000 0.218 736 G C 1.806 176.656 174.900 -0.082 0.000 1.146 736 G CA 0.516 45.569 45.100 -0.078 0.000 0.769 736 G HN 0.255 nan 8.290 nan 0.000 0.547 737 R N 0.197 120.638 120.500 -0.097 0.000 2.073 737 R HA 0.161 4.502 4.340 0.002 0.000 0.229 737 R C 2.873 178.943 176.300 -0.383 0.000 1.120 737 R CA 1.144 57.179 56.100 -0.108 0.000 0.967 737 R CB -0.259 30.042 30.300 0.002 0.000 0.862 737 R HN 0.271 nan 8.270 nan 0.000 0.436 738 A N 0.561 123.015 122.820 -0.611 0.000 2.015 738 A HA -0.110 4.211 4.320 0.002 0.000 0.219 738 A C 1.918 179.192 177.584 -0.518 0.000 1.163 738 A CA 1.056 52.398 52.037 -1.158 0.000 0.646 738 A CB -0.281 18.229 19.000 -0.817 0.000 0.806 738 A HN 0.264 nan 8.150 nan 0.000 0.448 739 R N -0.936 119.415 120.500 -0.248 0.000 2.323 739 R HA 0.231 4.572 4.340 0.002 0.000 0.198 739 R C -0.418 175.855 176.300 -0.046 0.000 0.988 739 R CA 0.121 56.158 56.100 -0.106 0.000 1.041 739 R CB -0.142 30.127 30.300 -0.052 0.000 0.926 739 R HN 0.478 nan 8.270 nan 0.000 0.476 740 I N -0.461 120.076 120.570 -0.054 0.000 2.498 740 I HA 0.129 4.300 4.170 0.002 0.000 0.301 740 I C 0.013 176.193 176.117 0.106 0.000 0.984 740 I CA -0.456 60.867 61.300 0.038 0.000 1.204 740 I CB 2.000 40.033 38.000 0.055 0.000 1.362 740 I HN -0.186 nan 8.210 nan 0.000 0.471 741 S N 4.372 120.170 115.700 0.164 0.000 2.552 741 S HA 0.335 4.806 4.470 0.002 0.000 0.314 741 S C -0.660 174.121 174.600 0.302 0.000 1.099 741 S CA -0.706 57.651 58.200 0.262 0.000 1.070 741 S CB 0.903 64.295 63.200 0.320 0.000 0.998 741 S HN 0.552 nan 8.310 nan 0.000 0.474 742 Q N 2.739 122.748 119.800 0.349 0.000 2.301 742 Q HA 0.469 4.811 4.340 0.002 0.000 0.262 742 Q C 0.619 176.815 176.000 0.326 0.000 1.168 742 Q CA 0.837 56.830 55.803 0.316 0.000 0.908 742 Q CB 0.329 29.272 28.738 0.341 0.000 1.348 742 Q HN 1.035 nan 8.270 nan 0.000 0.441 743 G N 1.156 110.022 108.800 0.110 0.000 2.712 743 G HA2 0.079 4.040 3.960 0.002 0.000 0.686 743 G HA3 0.079 4.040 3.960 0.002 0.000 0.686 743 G C -0.693 173.996 174.900 -0.352 0.000 1.181 743 G CA -0.686 44.335 45.100 -0.131 0.000 0.762 743 G HN 0.725 nan 8.290 nan 0.000 0.641 744 A N 0.177 122.773 122.820 -0.373 0.000 2.257 744 A HA 1.011 5.332 4.320 0.002 0.000 0.290 744 A C 1.776 179.020 177.584 -0.567 0.000 1.201 744 A CA 0.977 52.801 52.037 -0.355 0.000 0.863 744 A CB 0.238 19.124 19.000 -0.190 0.000 1.256 744 A HN 2.959 nan 8.150 nan 0.000 0.506 745 G N -1.654 106.951 108.800 -0.325 0.000 2.367 745 G HA2 -0.213 3.748 3.960 0.002 0.000 0.295 745 G HA3 -0.213 3.748 3.960 0.002 0.000 0.295 745 G C -0.367 174.390 174.900 -0.239 0.000 1.019 745 G CA 0.581 45.531 45.100 -0.250 0.000 1.224 745 G HN 0.643 nan 8.290 nan 0.000 0.510 746 W N 0.365 121.669 121.300 0.007 0.000 2.761 746 W HA 0.635 5.296 4.660 0.002 0.000 0.340 746 W C 0.939 177.462 176.519 0.008 0.000 1.072 746 W CA -0.726 56.623 57.345 0.006 0.000 1.215 746 W CB 1.833 31.303 29.460 0.016 0.000 1.420 746 W HN 0.577 nan 8.180 nan 0.000 0.519 747 S N 1.371 117.248 115.700 0.294 0.000 2.645 747 S HA 0.094 4.566 4.470 0.002 0.000 0.266 747 S C 0.573 175.246 174.600 0.122 0.000 1.258 747 S CA -0.603 57.686 58.200 0.149 0.000 0.990 747 S CB 1.109 64.356 63.200 0.079 0.000 0.967 747 S HN 0.597 nan 8.310 nan 0.000 0.556 748 L N 0.906 122.195 121.223 0.109 0.000 2.079 748 L HA -0.023 4.318 4.340 0.002 0.000 0.210 748 L C 2.751 179.692 176.870 0.118 0.000 1.081 748 L CA 1.755 56.671 54.840 0.127 0.000 0.752 748 L CB -0.843 41.308 42.059 0.153 0.000 0.896 748 L HN 0.889 nan 8.230 nan 0.000 0.433 749 R N -0.112 120.407 120.500 0.031 0.000 2.070 749 R HA -0.198 4.144 4.340 0.002 0.000 0.232 749 R C 2.106 178.289 176.300 -0.195 0.000 1.138 749 R CA 2.171 58.163 56.100 -0.180 0.000 0.936 749 R CB -0.329 29.669 30.300 -0.503 0.000 0.839 749 R HN 0.551 nan 8.270 nan 0.000 0.429 750 E N -0.786 119.282 120.200 -0.220 0.000 2.160 750 E HA -0.152 4.199 4.350 0.002 0.000 0.195 750 E C 1.830 178.251 176.600 -0.299 0.000 0.991 750 E CA 1.710 57.911 56.400 -0.330 0.000 0.810 750 E CB -0.069 29.350 29.700 -0.468 0.000 0.742 750 E HN 0.400 nan 8.360 nan 0.000 0.466 751 T N 0.743 115.218 114.554 -0.132 0.000 2.812 751 T HA -0.054 4.297 4.350 0.002 0.000 0.264 751 T C 2.061 176.777 174.700 0.027 0.000 1.042 751 T CA 1.039 63.116 62.100 -0.037 0.000 1.140 751 T CB -0.174 68.738 68.868 0.073 0.000 0.870 751 T HN 0.272 nan 8.240 nan 0.000 0.445 752 A N 0.531 123.411 122.820 0.100 0.000 1.972 752 A HA -0.122 4.199 4.320 0.002 0.000 0.219 752 A C 2.599 180.272 177.584 0.147 0.000 1.169 752 A CA 1.424 53.570 52.037 0.182 0.000 0.635 752 A CB -1.223 18.011 19.000 0.390 0.000 0.810 752 A HN 0.634 nan 8.150 nan 0.000 0.446 753 C N -1.510 117.838 119.300 0.081 0.000 2.467 753 C HA 0.057 4.518 4.460 0.002 0.000 0.279 753 C C 2.432 177.409 174.990 -0.022 0.000 1.347 753 C CA 0.844 59.884 59.018 0.038 0.000 1.748 753 C CB -1.176 26.533 27.740 -0.052 0.000 1.977 753 C HN 0.654 nan 8.230 nan 0.000 0.501 754 L N 2.003 123.192 121.223 -0.057 0.000 2.093 754 L HA 0.117 4.458 4.340 0.002 0.000 0.208 754 L C 2.342 179.246 176.870 0.058 0.000 1.085 754 L CA 2.259 57.076 54.840 -0.038 0.000 0.755 754 L CB -1.395 40.645 42.059 -0.032 0.000 0.904 754 L HN 0.311 nan 8.230 nan 0.000 0.435 755 G N -0.625 108.211 108.800 0.060 0.000 2.433 755 G HA2 -0.341 3.620 3.960 0.002 0.000 0.216 755 G HA3 -0.341 3.620 3.960 0.002 0.000 0.216 755 G C 1.710 176.592 174.900 -0.031 0.000 1.186 755 G CA 0.866 45.987 45.100 0.035 0.000 0.779 755 G HN 0.434 nan 8.290 nan 0.000 0.543 756 K N 0.609 121.004 120.400 -0.008 0.000 2.032 756 K HA -0.060 4.262 4.320 0.002 0.000 0.209 756 K C 2.815 179.388 176.600 -0.047 0.000 1.048 756 K CA 1.384 57.656 56.287 -0.024 0.000 0.927 756 K CB -0.400 32.121 32.500 0.035 0.000 0.712 756 K HN 0.200 nan 8.250 nan 0.000 0.441 757 A N 0.744 123.543 122.820 -0.036 0.000 1.869 757 A HA -0.241 4.080 4.320 0.002 0.000 0.218 757 A C 2.052 179.503 177.584 -0.222 0.000 1.203 757 A CA 1.949 53.964 52.037 -0.038 0.000 0.638 757 A CB -1.306 17.632 19.000 -0.104 0.000 0.831 757 A HN 0.516 nan 8.150 nan 0.000 0.450 758 Y N -0.316 119.800 120.300 -0.307 0.000 2.165 758 Y HA -0.164 4.387 4.550 0.002 0.000 0.286 758 Y C 2.979 178.311 175.900 -0.946 0.000 1.155 758 Y CA 1.265 58.963 58.100 -0.671 0.000 1.164 758 Y CB -0.423 37.582 38.460 -0.758 0.000 0.978 758 Y HN 0.371 nan 8.280 nan 0.000 0.513 759 A N 0.024 122.540 122.820 -0.507 0.000 1.902 759 A HA -0.262 4.060 4.320 0.002 0.000 0.217 759 A C 2.057 179.548 177.584 -0.155 0.000 1.181 759 A CA 1.932 53.745 52.037 -0.374 0.000 0.623 759 A CB -0.672 18.205 19.000 -0.206 0.000 0.818 759 A HN 0.555 nan 8.150 nan 0.000 0.443 760 Q N -1.356 118.384 119.800 -0.100 0.000 2.230 760 Q HA -0.048 4.293 4.340 0.002 0.000 0.202 760 Q C 2.096 178.142 176.000 0.076 0.000 0.963 760 Q CA 1.177 57.017 55.803 0.062 0.000 0.866 760 Q CB -0.239 28.595 28.738 0.159 0.000 0.931 760 Q HN 0.819 nan 8.270 nan 0.000 0.452 761 M N -0.284 119.130 119.600 -0.310 0.000 2.175 761 M HA -0.148 4.334 4.480 0.002 0.000 0.264 761 M C 1.066 177.335 176.300 -0.052 0.000 1.063 761 M CA 1.400 56.249 55.300 -0.750 0.000 1.119 761 M CB 0.049 31.704 32.600 -1.576 0.000 1.377 761 M HN 0.243 nan 8.290 nan 0.000 0.415 762 W N 0.643 121.927 121.300 -0.027 0.000 2.402 762 W HA -0.050 4.611 4.660 0.002 0.000 0.286 762 W C 2.801 179.434 176.519 0.190 0.000 1.221 762 W CA 1.433 58.870 57.345 0.153 0.000 1.257 762 W CB -1.472 28.030 29.460 0.070 0.000 1.120 762 W HN 0.442 nan 8.180 nan 0.000 0.551 763 S N -0.748 115.192 115.700 0.400 0.000 2.489 763 S HA 0.017 4.488 4.470 0.002 0.000 0.228 763 S C 1.775 176.818 174.600 0.739 0.000 0.995 763 S CA 0.632 59.075 58.200 0.406 0.000 0.934 763 S CB -0.583 62.707 63.200 0.151 0.000 0.771 763 S HN 0.205 nan 8.310 nan 0.000 0.522 764 L N -0.591 121.022 121.223 0.649 0.000 2.357 764 L HA 0.296 4.638 4.340 0.002 0.000 0.211 764 L C 2.254 179.653 176.870 0.882 0.000 1.075 764 L CA 0.437 55.743 54.840 0.776 0.000 0.830 764 L CB -0.215 42.178 42.059 0.556 0.000 0.996 764 L HN 0.293 nan 8.230 nan 0.000 0.467 765 M N -1.556 118.299 119.600 0.426 0.000 2.730 765 M HA 0.114 4.596 4.480 0.002 0.000 0.258 765 M C 0.518 176.563 176.300 -0.425 0.000 1.279 765 M CA 1.033 56.311 55.300 -0.038 0.000 1.183 765 M CB 0.061 32.274 32.600 -0.645 0.000 1.291 765 M HN 0.088 nan 8.290 nan 0.000 0.518 766 Y N -0.187 120.186 120.300 0.122 0.000 2.672 766 Y HA 0.180 4.732 4.550 0.002 0.000 0.272 766 Y C 1.145 176.743 175.900 -0.502 0.000 1.055 766 Y CA -0.948 56.910 58.100 -0.405 0.000 1.151 766 Y CB -0.906 37.332 38.460 -0.371 0.000 1.190 766 Y HN 0.082 nan 8.280 nan 0.000 0.574 767 F N -0.987 119.028 119.950 0.109 0.000 2.546 767 F HA -0.133 4.395 4.527 0.002 0.000 0.298 767 F C 2.005 177.806 175.800 0.001 0.000 1.120 767 F CA 0.971 59.034 58.000 0.104 0.000 1.456 767 F CB -0.716 38.468 39.000 0.308 0.000 1.088 767 F HN 0.301 nan 8.300 nan 0.000 0.572 768 H N -0.881 117.945 119.070 -0.406 0.000 2.539 768 H HA 0.315 4.872 4.556 0.002 0.000 0.269 768 H C -0.112 175.289 175.328 0.121 0.000 0.980 768 H CA -0.251 55.711 56.048 -0.145 0.000 1.152 768 H CB -0.277 29.268 29.762 -0.361 0.000 1.407 768 H HN 0.105 nan 8.280 nan 0.000 0.564 769 R N 2.083 122.427 120.500 -0.259 0.000 2.202 769 R HA 0.238 4.579 4.340 0.002 0.000 0.334 769 R C 0.937 177.251 176.300 0.023 0.000 1.036 769 R CA -0.316 55.700 56.100 -0.140 0.000 0.878 769 R CB 0.934 31.038 30.300 -0.327 0.000 1.067 769 R HN 0.299 nan 8.270 nan 0.000 0.457 770 R N 0.993 121.496 120.500 0.005 0.000 2.096 770 R HA -0.175 4.166 4.340 0.002 0.000 0.240 770 R C 0.772 177.095 176.300 0.039 0.000 1.139 770 R CA 1.894 57.950 56.100 -0.074 0.000 0.952 770 R CB 0.134 30.262 30.300 -0.287 0.000 0.854 770 R HN 0.530 nan 8.270 nan 0.000 0.436 771 D N 0.269 120.693 120.400 0.039 0.000 2.144 771 D HA -0.103 4.538 4.640 0.002 0.000 0.200 771 D C 1.889 178.212 176.300 0.039 0.000 0.978 771 D CA 1.017 55.113 54.000 0.161 0.000 0.833 771 D CB -0.083 40.828 40.800 0.185 0.000 0.961 771 D HN 0.219 nan 8.370 nan 0.000 0.470 772 L N 0.127 121.229 121.223 -0.201 0.000 2.217 772 L HA 0.017 4.358 4.340 0.002 0.000 0.211 772 L C 2.540 179.428 176.870 0.029 0.000 1.107 772 L CA 0.481 55.114 54.840 -0.346 0.000 0.783 772 L CB -0.211 41.367 42.059 -0.803 0.000 0.919 772 L HN -0.050 nan 8.230 nan 0.000 0.442 773 R N 0.604 121.140 120.500 0.060 0.000 2.090 773 R HA -0.125 4.216 4.340 0.002 0.000 0.228 773 R C 2.358 178.691 176.300 0.055 0.000 1.110 773 R CA 1.048 57.192 56.100 0.073 0.000 0.973 773 R CB -0.054 30.316 30.300 0.116 0.000 0.869 773 R HN 0.296 nan 8.270 nan 0.000 0.440 774 L N 0.261 121.537 121.223 0.089 0.000 2.005 774 L HA -0.109 4.232 4.340 0.002 0.000 0.207 774 L C 2.432 179.354 176.870 0.086 0.000 1.072 774 L CA 1.618 56.477 54.840 0.032 0.000 0.744 774 L CB -0.433 41.614 42.059 -0.021 0.000 0.895 774 L HN 0.249 nan 8.230 nan 0.000 0.433 775 A N -1.074 121.917 122.820 0.285 0.000 1.917 775 A HA -0.303 4.018 4.320 0.002 0.000 0.219 775 A C 2.459 180.205 177.584 0.270 0.000 1.182 775 A CA 2.249 54.520 52.037 0.389 0.000 0.633 775 A CB -1.092 18.192 19.000 0.473 0.000 0.819 775 A HN 0.553 nan 8.150 nan 0.000 0.448 776 S N 0.004 115.869 115.700 0.275 0.000 2.353 776 S HA -0.229 4.242 4.470 0.002 0.000 0.222 776 S C 2.012 176.593 174.600 -0.032 0.000 1.035 776 S CA 1.773 60.058 58.200 0.142 0.000 1.025 776 S CB -0.599 62.691 63.200 0.150 0.000 0.902 776 S HN 0.681 nan 8.310 nan 0.000 0.440 777 N N 1.862 120.525 118.700 -0.062 0.000 2.104 777 N HA -0.055 4.686 4.740 0.002 0.000 0.190 777 N C 1.915 177.412 175.510 -0.021 0.000 1.024 777 N CA 1.398 54.397 53.050 -0.084 0.000 0.853 777 N CB -1.021 37.440 38.487 -0.044 0.000 1.008 777 N HN 0.519 nan 8.380 nan 0.000 0.424 778 A N 1.370 124.191 122.820 0.002 0.000 1.883 778 A HA -0.119 4.202 4.320 0.002 0.000 0.217 778 A C 2.368 179.966 177.584 0.023 0.000 1.186 778 A CA 1.129 53.175 52.037 0.014 0.000 0.624 778 A CB -0.731 18.291 19.000 0.036 0.000 0.822 778 A HN 0.232 nan 8.150 nan 0.000 0.444 779 I N -0.653 119.930 120.570 0.021 0.000 2.163 779 I HA -0.312 3.860 4.170 0.002 0.000 0.240 779 I C 2.494 178.596 176.117 -0.025 0.000 1.081 779 I CA 1.282 62.583 61.300 0.003 0.000 1.353 779 I CB -0.579 37.406 38.000 -0.026 0.000 1.054 779 I HN 0.370 nan 8.210 nan 0.000 0.407 780 C N 0.119 119.352 119.300 -0.113 0.000 2.410 780 C HA -0.135 4.326 4.460 0.002 0.000 0.281 780 C C 3.133 178.134 174.990 0.017 0.000 1.318 780 C CA 1.060 59.950 59.018 -0.213 0.000 1.776 780 C CB -1.087 26.245 27.740 -0.679 0.000 1.942 780 C HN 0.483 nan 8.230 nan 0.000 0.508 781 S N 0.314 116.089 115.700 0.125 0.000 2.428 781 S HA 0.037 4.508 4.470 0.002 0.000 0.230 781 S C 1.966 176.628 174.600 0.103 0.000 1.014 781 S CA 1.083 59.421 58.200 0.230 0.000 0.957 781 S CB -0.147 63.141 63.200 0.147 0.000 0.784 781 S HN 0.732 nan 8.310 nan 0.000 0.499 782 A N 0.463 123.307 122.820 0.039 0.000 2.238 782 A HA 0.395 4.716 4.320 0.002 0.000 0.210 782 A C 0.556 178.194 177.584 0.091 0.000 1.179 782 A CA 0.075 52.080 52.037 -0.054 0.000 0.827 782 A CB 0.311 19.284 19.000 -0.045 0.000 0.856 782 A HN 0.245 nan 8.150 nan 0.000 0.488 783 V N 1.595 121.609 119.914 0.167 0.000 2.459 783 V HA 0.311 4.432 4.120 0.002 0.000 0.295 783 V C -2.611 173.468 176.094 -0.025 0.000 1.029 783 V CA -2.135 60.231 62.300 0.111 0.000 0.874 783 V CB 1.563 33.442 31.823 0.094 0.000 0.985 783 V HN 0.106 nan 8.190 nan 0.000 0.438 784 P HA -0.016 nan 4.420 nan 0.000 0.263 784 P C 1.077 178.110 177.300 -0.446 0.000 1.175 784 P CA 0.244 62.815 63.100 -0.882 0.000 0.761 784 P CB 0.477 31.181 31.700 -1.660 0.000 0.794 785 V N 2.770 122.444 119.914 -0.401 0.000 2.469 785 V HA -0.255 3.866 4.120 0.002 0.000 0.251 785 V C 1.695 177.644 176.094 -0.242 0.000 1.064 785 V CA 1.816 63.941 62.300 -0.290 0.000 1.066 785 V CB -1.432 30.130 31.823 -0.435 0.000 0.667 785 V HN 0.645 nan 8.190 nan 0.000 0.461 786 H N -3.188 115.873 119.070 -0.014 0.000 2.563 786 H HA 0.061 4.618 4.556 0.002 0.000 0.264 786 H C 0.408 175.872 175.328 0.226 0.000 0.957 786 H CA -0.618 55.481 56.048 0.084 0.000 1.173 786 H CB -0.097 29.703 29.762 0.063 0.000 1.420 786 H HN 0.419 nan 8.280 nan 0.000 0.551 787 W N 2.490 123.818 121.300 0.045 0.000 2.308 787 W HA 0.129 4.790 4.660 0.002 0.000 0.324 787 W C 0.163 176.689 176.519 0.011 0.000 1.387 787 W CA -0.581 56.774 57.345 0.017 0.000 1.250 787 W CB -0.050 29.408 29.460 -0.005 0.000 1.257 787 W HN -0.269 nan 8.180 nan 0.000 0.554 788 V N 7.236 127.254 119.914 0.172 0.000 2.488 788 V HA 0.120 4.241 4.120 0.002 0.000 0.277 788 V C -1.699 174.420 176.094 0.042 0.000 1.046 788 V CA -1.952 60.398 62.300 0.082 0.000 0.986 788 V CB 0.552 32.390 31.823 0.026 0.000 0.989 788 V HN 0.269 nan 8.190 nan 0.000 0.475 789 P HA 0.147 nan 4.420 nan 0.000 0.262 789 P C -0.044 177.225 177.300 -0.052 0.000 1.182 789 P CA 0.412 63.515 63.100 0.006 0.000 0.761 789 P CB 0.267 31.991 31.700 0.039 0.000 0.795 790 T N -0.627 113.868 114.554 -0.098 0.000 2.888 790 T HA 0.680 5.032 4.350 0.002 0.000 0.288 790 T C -0.300 174.297 174.700 -0.172 0.000 1.063 790 T CA -0.806 61.208 62.100 -0.143 0.000 1.010 790 T CB 1.283 70.047 68.868 -0.173 0.000 1.214 790 T HN 0.458 nan 8.240 nan 0.000 0.533 791 S N 0.689 116.277 115.700 -0.186 0.000 3.339 791 S HA -0.139 4.332 4.470 0.002 0.000 0.856 791 S C 0.157 174.641 174.600 -0.193 0.000 1.139 791 S CA 0.078 58.167 58.200 -0.185 0.000 1.044 791 S CB -0.623 62.455 63.200 -0.204 0.000 0.721 791 S HN 1.260 nan 8.310 nan 0.000 0.267 792 R N 2.593 122.945 120.500 -0.246 0.000 2.560 792 R HA 0.492 4.834 4.340 0.002 0.000 0.270 792 R C 1.537 177.714 176.300 -0.205 0.000 1.074 792 R CA -0.104 55.837 56.100 -0.265 0.000 1.140 792 R CB -0.042 29.938 30.300 -0.534 0.000 1.073 792 R HN 0.918 nan 8.270 nan 0.000 0.527 793 T N -3.013 111.459 114.554 -0.138 0.000 3.065 793 T HA 0.044 4.395 4.350 0.002 0.000 0.252 793 T C 0.623 175.330 174.700 0.012 0.000 1.099 793 T CA 0.475 62.333 62.100 -0.404 0.000 1.063 793 T CB 0.154 68.636 68.868 -0.643 0.000 0.948 793 T HN 0.722 nan 8.240 nan 0.000 0.506 794 T N -1.247 113.348 114.554 0.069 0.000 2.827 794 T HA 0.399 4.750 4.350 0.002 0.000 0.328 794 T C -1.846 172.878 174.700 0.039 0.000 1.598 794 T CA -0.761 61.445 62.100 0.176 0.000 1.043 794 T CB 0.617 69.646 68.868 0.269 0.000 1.447 794 T HN 0.211 nan 8.240 nan 0.000 0.491 795 W N 1.887 123.323 121.300 0.226 0.000 3.127 795 W HA 0.446 5.107 4.660 0.002 0.000 0.344 795 W C 1.376 177.988 176.519 0.155 0.000 1.151 795 W CA -0.329 57.128 57.345 0.186 0.000 1.765 795 W CB 0.297 29.842 29.460 0.142 0.000 1.085 795 W HN 0.657 nan 8.180 nan 0.000 0.596 796 S N 2.485 118.383 115.700 0.329 0.000 2.642 796 S HA -0.098 4.373 4.470 0.002 0.000 0.308 796 S C 1.409 176.081 174.600 0.121 0.000 1.255 796 S CA 0.064 58.392 58.200 0.213 0.000 1.057 796 S CB 0.279 63.634 63.200 0.258 0.000 0.785 796 S HN 0.338 nan 8.310 nan 0.000 0.500 797 I N 2.676 123.194 120.570 -0.086 0.000 3.001 797 I HA -0.001 4.170 4.170 0.002 0.000 0.268 797 I C 1.148 177.167 176.117 -0.163 0.000 1.267 797 I CA 0.818 62.005 61.300 -0.189 0.000 1.472 797 I CB -0.520 37.210 38.000 -0.451 0.000 1.089 797 I HN 0.643 nan 8.210 nan 0.000 0.468 798 H N 1.943 121.084 119.070 0.118 0.000 2.553 798 H HA 0.428 4.986 4.556 0.002 0.000 0.265 798 H C 1.024 176.428 175.328 0.128 0.000 0.964 798 H CA 0.305 56.420 56.048 0.113 0.000 1.156 798 H CB 0.093 29.894 29.762 0.065 0.000 1.411 798 H HN 0.425 nan 8.280 nan 0.000 0.558 799 A N 0.983 123.941 122.820 0.231 0.000 2.362 799 A HA 0.176 4.497 4.320 0.002 0.000 0.276 799 A C 0.216 177.868 177.584 0.114 0.000 1.153 799 A CA -0.242 51.857 52.037 0.104 0.000 0.813 799 A CB 0.003 18.948 19.000 -0.093 0.000 1.081 799 A HN 0.524 nan 8.150 nan 0.000 0.507 800 H N 1.137 120.086 119.070 -0.202 0.000 2.652 800 H HA 0.098 4.655 4.556 0.002 0.000 0.274 800 H C -0.301 174.764 175.328 -0.439 0.000 1.021 800 H CA -0.179 55.756 56.048 -0.188 0.000 1.187 800 H CB 0.134 29.852 29.762 -0.074 0.000 1.505 800 H HN 0.968 nan 8.280 nan 0.000 0.530 801 H N 0.534 119.063 119.070 -0.901 0.000 2.741 801 H HA -0.169 4.388 4.556 0.002 0.000 0.305 801 H C 0.864 175.484 175.328 -1.180 0.000 1.169 801 H CA 0.572 55.688 56.048 -1.554 0.000 1.144 801 H CB -1.483 27.809 29.762 -0.784 0.000 1.397 801 H HN 0.579 nan 8.280 nan 0.000 0.409 802 Q N -0.450 118.857 119.800 -0.822 0.000 2.364 802 Q HA -0.137 4.204 4.340 0.002 0.000 0.207 802 Q C 1.905 177.834 176.000 -0.118 0.000 0.970 802 Q CA 1.836 57.457 55.803 -0.303 0.000 0.888 802 Q CB -0.268 28.385 28.738 -0.143 0.000 0.951 802 Q HN 0.846 nan 8.270 nan 0.000 0.469 803 W N -1.759 119.560 121.300 0.031 0.000 2.937 803 W HA 0.183 4.844 4.660 0.002 0.000 0.245 803 W C 0.055 176.585 176.519 0.017 0.000 1.306 803 W CA -0.190 57.177 57.345 0.038 0.000 1.470 803 W CB -0.027 29.453 29.460 0.033 0.000 1.132 803 W HN -0.109 nan 8.180 nan 0.000 0.675 804 M N 2.920 122.407 119.600 -0.190 0.000 3.213 804 M HA 0.313 4.794 4.480 0.002 0.000 0.275 804 M C -0.218 176.051 176.300 -0.052 0.000 1.424 804 M CA 0.409 55.644 55.300 -0.109 0.000 1.561 804 M CB -0.960 31.508 32.600 -0.219 0.000 1.109 804 M HN 0.047 nan 8.290 nan 0.000 0.552 805 T N -0.508 114.059 114.554 0.021 0.000 2.827 805 T HA 0.342 4.693 4.350 0.002 0.000 0.328 805 T C 0.639 175.381 174.700 0.071 0.000 1.598 805 T CA -0.257 61.863 62.100 0.033 0.000 1.043 805 T CB 1.149 70.034 68.868 0.029 0.000 1.447 805 T HN 0.546 nan 8.240 nan 0.000 0.491 806 T N -0.566 114.033 114.554 0.075 0.000 3.069 806 T HA 0.320 4.671 4.350 0.002 0.000 0.252 806 T C 0.623 175.388 174.700 0.109 0.000 1.053 806 T CA -0.103 62.058 62.100 0.101 0.000 0.964 806 T CB -0.082 68.856 68.868 0.117 0.000 1.005 806 T HN 0.658 nan 8.240 nan 0.000 0.532 807 E N 2.607 122.864 120.200 0.095 0.000 2.452 807 E HA 0.053 4.404 4.350 0.002 0.000 0.261 807 E C -0.207 176.474 176.600 0.134 0.000 0.987 807 E CA -0.305 56.155 56.400 0.100 0.000 0.926 807 E CB 0.349 30.097 29.700 0.079 0.000 0.934 807 E HN 0.449 nan 8.360 nan 0.000 0.452 808 D N 4.175 124.662 120.400 0.145 0.000 2.493 808 D HA -0.129 4.512 4.640 0.002 0.000 0.240 808 D C 1.034 177.468 176.300 0.224 0.000 1.142 808 D CA -0.019 54.097 54.000 0.193 0.000 0.872 808 D CB 0.680 41.588 40.800 0.180 0.000 1.173 808 D HN 0.406 nan 8.370 nan 0.000 0.467 809 M N 3.323 123.106 119.600 0.306 0.000 2.229 809 M HA -0.058 4.423 4.480 0.002 0.000 0.264 809 M C 1.776 178.327 176.300 0.417 0.000 1.063 809 M CA 0.806 56.343 55.300 0.395 0.000 1.114 809 M CB -1.005 31.872 32.600 0.461 0.000 1.387 809 M HN 0.645 nan 8.290 nan 0.000 0.420 810 L N 0.150 121.556 121.223 0.304 0.000 2.141 810 L HA -0.093 4.249 4.340 0.002 0.000 0.209 810 L C 2.152 179.034 176.870 0.020 0.000 1.094 810 L CA 1.665 56.432 54.840 -0.121 0.000 0.763 810 L CB -0.799 41.019 42.059 -0.403 0.000 0.908 810 L HN 0.219 nan 8.230 nan 0.000 0.437 811 T N -1.155 113.452 114.554 0.089 0.000 2.708 811 T HA -0.151 4.200 4.350 0.002 0.000 0.266 811 T C 1.915 176.679 174.700 0.107 0.000 1.037 811 T CA 1.739 63.889 62.100 0.084 0.000 1.146 811 T CB -0.311 68.604 68.868 0.078 0.000 0.865 811 T HN 0.208 nan 8.240 nan 0.000 0.435 812 V N -0.202 119.798 119.914 0.145 0.000 2.358 812 V HA -0.136 3.985 4.120 0.002 0.000 0.246 812 V C 1.981 178.169 176.094 0.157 0.000 1.047 812 V CA 1.349 63.728 62.300 0.131 0.000 1.035 812 V CB -0.741 31.175 31.823 0.155 0.000 0.658 812 V HN 0.617 nan 8.190 nan 0.000 0.452 813 W N 1.245 122.581 121.300 0.059 0.000 2.338 813 W HA -0.198 4.463 4.660 0.002 0.000 0.304 813 W C 2.467 179.018 176.519 0.054 0.000 1.212 813 W CA 1.992 59.387 57.345 0.083 0.000 1.264 813 W CB -0.194 29.189 29.460 -0.129 0.000 1.142 813 W HN 0.180 nan 8.180 nan 0.000 0.512 814 N N 0.102 118.988 118.700 0.310 0.000 2.188 814 N HA -0.177 4.565 4.740 0.002 0.000 0.184 814 N C 1.897 177.421 175.510 0.023 0.000 1.018 814 N CA 1.350 54.522 53.050 0.204 0.000 0.858 814 N CB -0.419 38.163 38.487 0.159 0.000 0.989 814 N HN 0.287 nan 8.380 nan 0.000 0.426 815 R N 0.813 121.310 120.500 -0.005 0.000 2.066 815 R HA -0.046 4.295 4.340 0.002 0.000 0.232 815 R C 2.064 178.277 176.300 -0.145 0.000 1.131 815 R CA 1.069 57.136 56.100 -0.055 0.000 0.955 815 R CB -0.098 30.179 30.300 -0.040 0.000 0.851 815 R HN -0.035 nan 8.270 nan 0.000 0.432 816 V N -0.834 118.926 119.914 -0.257 0.000 2.379 816 V HA -0.204 3.917 4.120 0.002 0.000 0.245 816 V C 1.446 177.195 176.094 -0.576 0.000 1.044 816 V CA 1.696 63.701 62.300 -0.492 0.000 1.036 816 V CB -0.410 30.969 31.823 -0.740 0.000 0.664 816 V HN 0.474 nan 8.190 nan 0.000 0.453 817 W N -1.643 119.361 121.300 -0.495 0.000 2.996 817 W HA 0.278 4.939 4.660 0.002 0.000 0.270 817 W C 1.842 178.162 176.519 -0.331 0.000 1.280 817 W CA -0.166 56.841 57.345 -0.563 0.000 1.549 817 W CB 0.326 28.959 29.460 -1.379 0.000 1.079 817 W HN 0.094 nan 8.180 nan 0.000 0.629 818 I N -0.864 119.671 120.570 -0.058 0.000 3.744 818 I HA -0.005 4.166 4.170 0.002 0.000 0.240 818 I C 2.139 178.256 176.117 0.000 0.000 1.096 818 I CA 0.696 62.013 61.300 0.028 0.000 1.558 818 I CB -1.311 36.741 38.000 0.086 0.000 1.531 818 I HN -0.083 nan 8.210 nan 0.000 0.459 819 E N 1.650 121.842 120.200 -0.013 0.000 2.049 819 E HA -0.261 4.090 4.350 0.002 0.000 0.198 819 E C 1.590 178.166 176.600 -0.040 0.000 1.007 819 E CA 2.007 58.395 56.400 -0.020 0.000 0.809 819 E CB 0.067 29.756 29.700 -0.017 0.000 0.749 819 E HN 0.426 nan 8.360 nan 0.000 0.450 820 E N 0.178 120.342 120.200 -0.059 0.000 2.479 820 E HA 0.012 4.363 4.350 0.002 0.000 0.193 820 E C -0.183 176.379 176.600 -0.064 0.000 1.049 820 E CA -0.333 56.029 56.400 -0.063 0.000 0.870 820 E CB 0.216 29.880 29.700 -0.060 0.000 0.944 820 E HN 0.091 nan 8.360 nan 0.000 0.492 821 N N 1.951 120.618 118.700 -0.055 0.000 2.406 821 N HA -0.004 4.737 4.740 0.002 0.000 0.265 821 N C -1.825 173.632 175.510 -0.089 0.000 1.203 821 N CA -1.648 51.385 53.050 -0.030 0.000 0.945 821 N CB 0.949 39.454 38.487 0.030 0.000 1.165 821 N HN -0.060 nan 8.380 nan 0.000 0.485 822 P HA -0.041 nan 4.420 nan 0.000 0.230 822 P C 0.793 177.814 177.300 -0.465 0.000 1.158 822 P CA 0.932 63.800 63.100 -0.387 0.000 0.769 822 P CB 0.091 31.415 31.700 -0.626 0.000 0.807 823 W N -1.264 119.817 121.300 -0.366 0.000 3.290 823 W HA 0.295 4.956 4.660 0.002 0.000 0.287 823 W C 0.454 176.839 176.519 -0.222 0.000 1.288 823 W CA -0.352 56.759 57.345 -0.390 0.000 1.725 823 W CB -0.098 28.852 29.460 -0.849 0.000 1.103 823 W HN -0.012 nan 8.180 nan 0.000 0.670 824 M N 1.368 120.981 119.600 0.020 0.000 2.080 824 M HA 0.152 4.633 4.480 0.002 0.000 0.350 824 M C 1.123 177.437 176.300 0.023 0.000 1.143 824 M CA 0.357 55.695 55.300 0.064 0.000 1.064 824 M CB 0.461 33.113 32.600 0.087 0.000 1.429 824 M HN -0.090 nan 8.290 nan 0.000 0.418 825 E N 1.155 121.375 120.200 0.033 0.000 2.047 825 E HA -0.110 4.242 4.350 0.002 0.000 0.191 825 E C -0.081 176.530 176.600 0.018 0.000 0.987 825 E CA 0.850 57.257 56.400 0.012 0.000 0.799 825 E CB 0.061 29.774 29.700 0.020 0.000 0.752 825 E HN 0.624 nan 8.360 nan 0.000 0.449 826 D N 0.976 121.400 120.400 0.040 0.000 2.316 826 D HA 0.013 4.655 4.640 0.002 0.000 0.245 826 D C 0.189 176.516 176.300 0.044 0.000 1.171 826 D CA -0.090 53.934 54.000 0.040 0.000 0.856 826 D CB 0.741 41.571 40.800 0.050 0.000 1.090 826 D HN -0.238 nan 8.370 nan 0.000 0.476 827 K N 2.456 122.874 120.400 0.030 0.000 2.469 827 K HA 0.083 4.404 4.320 0.002 0.000 0.201 827 K C 0.091 176.713 176.600 0.038 0.000 1.028 827 K CA -0.072 56.233 56.287 0.029 0.000 1.170 827 K CB -0.145 32.363 32.500 0.012 0.000 0.874 827 K HN 0.348 nan 8.250 nan 0.000 0.507 828 T N 4.137 118.718 114.554 0.044 0.000 2.817 828 T HA 0.118 4.469 4.350 0.002 0.000 0.295 828 T C -2.370 172.362 174.700 0.054 0.000 0.958 828 T CA -1.015 61.109 62.100 0.041 0.000 1.157 828 T CB 0.597 69.487 68.868 0.038 0.000 0.898 828 T HN 0.021 nan 8.240 nan 0.000 0.536 829 P HA 0.069 nan 4.420 nan 0.000 0.266 829 P C -0.546 176.776 177.300 0.036 0.000 1.193 829 P CA -0.267 62.861 63.100 0.046 0.000 0.770 829 P CB 0.411 32.124 31.700 0.022 0.000 0.836 830 V N 3.286 123.223 119.914 0.039 0.000 2.385 830 V HA 0.078 4.200 4.120 0.002 0.000 0.269 830 V C 1.481 177.499 176.094 -0.127 0.000 1.043 830 V CA 0.370 62.635 62.300 -0.058 0.000 0.906 830 V CB 0.690 32.429 31.823 -0.140 0.000 0.995 830 V HN 0.746 nan 8.190 nan 0.000 0.467 831 T N 0.372 114.860 114.554 -0.110 0.000 3.100 831 T HA 0.110 4.462 4.350 0.002 0.000 0.253 831 T C 0.654 175.276 174.700 -0.130 0.000 1.118 831 T CA 0.480 62.523 62.100 -0.096 0.000 1.058 831 T CB 0.217 69.056 68.868 -0.049 0.000 0.953 831 T HN 0.629 nan 8.240 nan 0.000 0.515 832 T N -1.229 113.208 114.554 -0.194 0.000 2.942 832 T HA 0.335 4.686 4.350 0.002 0.000 0.327 832 T C -0.914 173.623 174.700 -0.271 0.000 1.360 832 T CA -0.824 61.172 62.100 -0.172 0.000 1.055 832 T CB 0.675 69.513 68.868 -0.050 0.000 1.261 832 T HN 0.213 nan 8.240 nan 0.000 0.485 833 W N 1.457 122.656 121.300 -0.167 0.000 2.387 833 W HA -0.010 4.652 4.660 0.002 0.000 0.272 833 W C 2.046 178.438 176.519 -0.211 0.000 1.224 833 W CA 0.407 57.608 57.345 -0.239 0.000 1.210 833 W CB 0.236 29.606 29.460 -0.149 0.000 1.125 833 W HN 0.692 nan 8.180 nan 0.000 0.572 834 E N -0.456 119.784 120.200 0.067 0.000 2.338 834 E HA -0.143 4.208 4.350 0.002 0.000 0.197 834 E C 0.844 177.425 176.600 -0.031 0.000 1.007 834 E CA 1.022 57.443 56.400 0.035 0.000 0.849 834 E CB -0.621 29.104 29.700 0.041 0.000 0.774 834 E HN 0.564 nan 8.360 nan 0.000 0.506 835 N N -0.326 118.307 118.700 -0.113 0.000 2.236 835 N HA 0.049 4.790 4.740 0.002 0.000 0.196 835 N C -0.614 174.754 175.510 -0.236 0.000 1.114 835 N CA -0.200 52.769 53.050 -0.135 0.000 0.859 835 N CB 1.127 39.544 38.487 -0.117 0.000 0.982 835 N HN -0.157 nan 8.380 nan 0.000 0.493 836 V N 3.361 123.064 119.914 -0.352 0.000 2.432 836 V HA 0.268 4.389 4.120 0.002 0.000 0.271 836 V C -1.930 174.032 176.094 -0.220 0.000 1.046 836 V CA -1.466 60.538 62.300 -0.494 0.000 0.945 836 V CB 0.839 32.168 31.823 -0.823 0.000 0.992 836 V HN 0.032 nan 8.190 nan 0.000 0.471 837 P HA 0.387 nan 4.420 nan 0.000 0.278 837 P C -1.270 176.027 177.300 -0.006 0.000 1.258 837 P CA -0.460 62.647 63.100 0.012 0.000 0.811 837 P CB 0.760 32.521 31.700 0.101 0.000 1.063 838 Y N -0.805 119.578 120.300 0.139 0.000 2.496 838 Y HA 0.321 4.872 4.550 0.002 0.000 0.331 838 Y C 1.127 177.053 175.900 0.044 0.000 1.140 838 Y CA -1.159 57.005 58.100 0.108 0.000 1.166 838 Y CB 0.963 39.453 38.460 0.051 0.000 1.249 838 Y HN 0.093 nan 8.280 nan 0.000 0.479 839 L N 1.918 123.263 121.223 0.202 0.000 2.529 839 L HA 0.014 4.355 4.340 0.002 0.000 0.287 839 L C 1.054 177.921 176.870 -0.006 0.000 1.241 839 L CA 0.114 54.960 54.840 0.010 0.000 0.857 839 L CB 0.020 42.035 42.059 -0.074 0.000 1.113 839 L HN 0.884 nan 8.230 nan 0.000 0.504 840 G N 1.949 110.702 108.800 -0.078 0.000 2.391 840 G HA2 -0.071 3.890 3.960 0.002 0.000 0.234 840 G HA3 -0.071 3.890 3.960 0.002 0.000 0.234 840 G C 0.868 175.664 174.900 -0.173 0.000 1.284 840 G CA -0.283 44.751 45.100 -0.110 0.000 0.873 840 G HN 0.858 nan 8.290 nan 0.000 0.549 841 K N 1.518 121.818 120.400 -0.167 0.000 2.071 841 K HA -0.251 4.070 4.320 0.002 0.000 0.217 841 K C 2.490 178.909 176.600 -0.301 0.000 1.054 841 K CA 1.978 58.145 56.287 -0.202 0.000 0.937 841 K CB -0.145 32.253 32.500 -0.169 0.000 0.719 841 K HN 0.610 nan 8.250 nan 0.000 0.454 842 R N 0.551 120.811 120.500 -0.400 0.000 2.094 842 R HA -0.207 4.134 4.340 0.002 0.000 0.239 842 R C 2.101 177.799 176.300 -1.004 0.000 1.137 842 R CA 2.309 57.966 56.100 -0.738 0.000 0.943 842 R CB -0.092 29.754 30.300 -0.757 0.000 0.850 842 R HN 0.214 nan 8.270 nan 0.000 0.433 843 E N 0.052 119.865 120.200 -0.646 0.000 2.107 843 E HA -0.142 4.209 4.350 0.002 0.000 0.191 843 E C 1.580 178.052 176.600 -0.214 0.000 0.982 843 E CA 1.121 57.294 56.400 -0.377 0.000 0.809 843 E CB -0.211 29.325 29.700 -0.273 0.000 0.756 843 E HN 0.292 nan 8.360 nan 0.000 0.459 844 D N 0.568 120.838 120.400 -0.216 0.000 2.116 844 D HA -0.202 4.439 4.640 0.002 0.000 0.193 844 D C 1.771 178.016 176.300 -0.093 0.000 0.998 844 D CA 1.252 55.177 54.000 -0.124 0.000 0.836 844 D CB 0.043 40.768 40.800 -0.124 0.000 0.951 844 D HN 0.219 nan 8.370 nan 0.000 0.449 845 Q N -1.009 118.692 119.800 -0.165 0.000 2.050 845 Q HA -0.140 4.201 4.340 0.002 0.000 0.202 845 Q C 2.220 178.252 176.000 0.053 0.000 0.980 845 Q CA 1.093 56.836 55.803 -0.098 0.000 0.840 845 Q CB -0.197 28.437 28.738 -0.172 0.000 0.898 845 Q HN 0.453 nan 8.270 nan 0.000 0.424 846 W N -0.652 120.633 121.300 -0.025 0.000 2.421 846 W HA -0.092 4.570 4.660 0.002 0.000 0.270 846 W C 1.462 177.973 176.519 -0.015 0.000 1.233 846 W CA -0.109 57.222 57.345 -0.023 0.000 1.226 846 W CB -0.717 28.726 29.460 -0.028 0.000 1.121 846 W HN 0.170 nan 8.180 nan 0.000 0.579 847 C N 0.180 119.601 119.300 0.201 0.000 2.693 847 C HA 0.491 4.952 4.460 0.002 0.000 0.286 847 C C 1.824 176.862 174.990 0.080 0.000 1.277 847 C CA 0.916 60.027 59.018 0.155 0.000 1.705 847 C CB -0.958 26.910 27.740 0.214 0.000 1.879 847 C HN 0.582 nan 8.230 nan 0.000 0.607 848 G N 0.237 109.080 108.800 0.072 0.000 2.231 848 G HA2 -0.202 3.759 3.960 0.002 0.000 0.206 848 G HA3 -0.202 3.759 3.960 0.002 0.000 0.206 848 G C 0.396 175.333 174.900 0.062 0.000 0.996 848 G CA 0.287 45.419 45.100 0.054 0.000 0.645 848 G HN 0.478 nan 8.290 nan 0.000 0.498 849 S N -0.265 115.456 115.700 0.034 0.000 2.554 849 S HA 0.290 4.761 4.470 0.002 0.000 0.290 849 S C 1.298 175.925 174.600 0.045 0.000 1.309 849 S CA 0.265 58.492 58.200 0.044 0.000 1.047 849 S CB 0.480 63.672 63.200 -0.013 0.000 0.828 849 S HN 0.490 nan 8.310 nan 0.000 0.509 850 L N 4.358 125.622 121.223 0.069 0.000 2.667 850 L HA 0.379 4.721 4.340 0.002 0.000 0.232 850 L C 0.156 177.007 176.870 -0.030 0.000 1.138 850 L CA 0.162 54.977 54.840 -0.043 0.000 0.921 850 L CB -0.832 41.090 42.059 -0.230 0.000 1.180 850 L HN 0.705 nan 8.230 nan 0.000 0.487 851 I N -1.815 118.755 120.570 -0.000 0.000 2.775 851 I HA 0.450 4.621 4.170 0.002 0.000 0.290 851 I C 1.427 177.519 176.117 -0.042 0.000 1.203 851 I CA 0.778 62.067 61.300 -0.018 0.000 1.433 851 I CB -0.306 37.663 38.000 -0.051 0.000 1.354 851 I HN 0.230 nan 8.210 nan 0.000 0.579 852 G N 3.743 112.520 108.800 -0.039 0.000 2.284 852 G HA2 -0.170 3.792 3.960 0.002 0.000 0.216 852 G HA3 -0.170 3.792 3.960 0.002 0.000 0.216 852 G C -0.055 174.820 174.900 -0.041 0.000 1.009 852 G CA -0.333 44.741 45.100 -0.043 0.000 0.625 852 G HN 0.565 nan 8.290 nan 0.000 0.501 853 L N 1.665 122.858 121.223 -0.050 0.000 2.395 853 L HA 0.580 4.922 4.340 0.002 0.000 0.269 853 L C 2.177 179.019 176.870 -0.046 0.000 1.133 853 L CA 1.069 55.872 54.840 -0.061 0.000 0.812 853 L CB 1.239 43.238 42.059 -0.101 0.000 1.125 853 L HN 0.411 nan 8.230 nan 0.000 0.452 854 T N -1.856 112.672 114.554 -0.044 0.000 2.904 854 T HA -0.121 4.230 4.350 0.002 0.000 0.267 854 T C 1.891 176.578 174.700 -0.022 0.000 1.059 854 T CA 1.254 63.338 62.100 -0.027 0.000 1.137 854 T CB -0.090 68.762 68.868 -0.026 0.000 0.879 854 T HN 0.655 nan 8.240 nan 0.000 0.467 855 S N 1.138 116.806 115.700 -0.052 0.000 2.400 855 S HA -0.108 4.363 4.470 0.002 0.000 0.232 855 S C 2.341 176.926 174.600 -0.024 0.000 1.025 855 S CA 0.704 58.868 58.200 -0.061 0.000 0.993 855 S CB -0.661 62.459 63.200 -0.134 0.000 0.808 855 S HN 0.441 nan 8.310 nan 0.000 0.478 856 R N 1.365 121.843 120.500 -0.036 0.000 2.093 856 R HA 0.199 4.540 4.340 0.002 0.000 0.224 856 R C 2.424 178.847 176.300 0.204 0.000 1.101 856 R CA 1.317 57.469 56.100 0.087 0.000 0.979 856 R CB -1.156 29.150 30.300 0.010 0.000 0.877 856 R HN 0.550 nan 8.270 nan 0.000 0.441 857 A N -0.222 122.648 122.820 0.083 0.000 1.898 857 A HA -0.088 4.233 4.320 0.002 0.000 0.216 857 A C 2.247 179.861 177.584 0.049 0.000 1.181 857 A CA 1.818 53.885 52.037 0.050 0.000 0.620 857 A CB -0.824 18.182 19.000 0.011 0.000 0.819 857 A HN 0.351 nan 8.150 nan 0.000 0.442 858 T N -1.359 113.233 114.554 0.062 0.000 2.652 858 T HA -0.213 4.139 4.350 0.002 0.000 0.267 858 T C 1.479 176.241 174.700 0.102 0.000 1.039 858 T CA 1.789 63.925 62.100 0.060 0.000 1.153 858 T CB -0.371 68.528 68.868 0.051 0.000 0.863 858 T HN 0.763 nan 8.240 nan 0.000 0.428 859 W N 2.175 123.456 121.300 -0.031 0.000 2.318 859 W HA -0.136 4.525 4.660 0.002 0.000 0.313 859 W C 2.472 178.998 176.519 0.012 0.000 1.221 859 W CA 1.356 58.698 57.345 -0.005 0.000 1.266 859 W CB -0.797 28.661 29.460 -0.004 0.000 1.150 859 W HN 0.251 nan 8.180 nan 0.000 0.496 860 A N 0.095 122.803 122.820 -0.186 0.000 1.883 860 A HA -0.304 4.018 4.320 0.002 0.000 0.217 860 A C 2.094 179.517 177.584 -0.268 0.000 1.186 860 A CA 2.070 53.863 52.037 -0.406 0.000 0.624 860 A CB -1.268 17.622 19.000 -0.183 0.000 0.822 860 A HN 0.571 nan 8.150 nan 0.000 0.444 861 Q N -0.700 119.021 119.800 -0.132 0.000 2.124 861 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 861 Q C 0.620 176.561 176.000 -0.098 0.000 0.977 861 Q CA 1.624 57.370 55.803 -0.094 0.000 0.850 861 Q CB -0.067 28.642 28.738 -0.049 0.000 0.901 861 Q HN 0.654 nan 8.270 nan 0.000 0.429 862 N N -0.027 118.619 118.700 -0.089 0.000 2.268 862 N HA 0.044 4.785 4.740 0.002 0.000 0.204 862 N C 0.929 176.384 175.510 -0.091 0.000 1.124 862 N CA 0.012 53.026 53.050 -0.060 0.000 0.838 862 N CB 0.358 38.843 38.487 -0.002 0.000 0.994 862 N HN 0.219 nan 8.380 nan 0.000 0.489 863 I N 1.562 122.010 120.570 -0.203 0.000 2.252 863 I HA -0.076 4.095 4.170 0.002 0.000 0.245 863 I C -0.807 175.233 176.117 -0.128 0.000 1.102 863 I CA 0.726 61.881 61.300 -0.241 0.000 1.385 863 I CB -1.399 36.312 38.000 -0.482 0.000 1.064 863 I HN -0.022 nan 8.210 nan 0.000 0.414 864 P HA -0.133 nan 4.420 nan 0.000 0.217 864 P C 1.655 178.915 177.300 -0.067 0.000 1.148 864 P CA 1.627 64.677 63.100 -0.084 0.000 0.834 864 P CB -0.106 31.549 31.700 -0.076 0.000 0.783 865 T N -0.900 113.623 114.554 -0.052 0.000 2.737 865 T HA -0.084 4.267 4.350 0.002 0.000 0.265 865 T C 1.912 176.595 174.700 -0.027 0.000 1.038 865 T CA 1.553 63.632 62.100 -0.035 0.000 1.144 865 T CB -0.907 67.950 68.868 -0.019 0.000 0.866 865 T HN 0.050 nan 8.240 nan 0.000 0.434 866 A N 1.080 123.896 122.820 -0.007 0.000 1.969 866 A HA 0.021 4.342 4.320 0.002 0.000 0.218 866 A C 2.273 179.850 177.584 -0.012 0.000 1.169 866 A CA 0.999 53.046 52.037 0.016 0.000 0.635 866 A CB -0.810 18.234 19.000 0.073 0.000 0.810 866 A HN 0.522 nan 8.150 nan 0.000 0.445 867 I N -0.700 119.847 120.570 -0.038 0.000 2.163 867 I HA -0.314 3.857 4.170 0.002 0.000 0.243 867 I C 2.760 178.795 176.117 -0.136 0.000 1.085 867 I CA 1.927 63.181 61.300 -0.077 0.000 1.347 867 I CB -0.321 37.628 38.000 -0.086 0.000 1.044 867 I HN 0.401 nan 8.210 nan 0.000 0.408 868 Q N 1.044 120.770 119.800 -0.123 0.000 2.124 868 Q HA -0.227 4.114 4.340 0.002 0.000 0.202 868 Q C 2.081 178.009 176.000 -0.120 0.000 0.977 868 Q CA 1.704 57.418 55.803 -0.147 0.000 0.850 868 Q CB -0.183 28.493 28.738 -0.103 0.000 0.901 868 Q HN 0.484 nan 8.270 nan 0.000 0.429 869 Q N -0.939 118.819 119.800 -0.069 0.000 2.020 869 Q HA -0.134 4.207 4.340 0.002 0.000 0.202 869 Q C 2.108 178.084 176.000 -0.040 0.000 0.982 869 Q CA 1.888 57.668 55.803 -0.038 0.000 0.838 869 Q CB -0.112 28.621 28.738 -0.008 0.000 0.899 869 Q HN 0.286 nan 8.270 nan 0.000 0.423 870 V N 0.943 120.830 119.914 -0.046 0.000 2.287 870 V HA -0.317 3.804 4.120 0.002 0.000 0.248 870 V C 2.230 178.273 176.094 -0.085 0.000 1.053 870 V CA 1.985 64.265 62.300 -0.033 0.000 1.027 870 V CB -0.628 31.185 31.823 -0.018 0.000 0.646 870 V HN 0.312 nan 8.190 nan 0.000 0.447 871 R N 0.904 121.258 120.500 -0.243 0.000 2.112 871 R HA -0.213 4.128 4.340 0.002 0.000 0.242 871 R C 2.542 178.750 176.300 -0.152 0.000 1.137 871 R CA 2.139 57.966 56.100 -0.456 0.000 0.944 871 R CB -0.717 29.108 30.300 -0.792 0.000 0.857 871 R HN 0.704 nan 8.270 nan 0.000 0.435 872 S N 0.095 115.738 115.700 -0.096 0.000 2.507 872 S HA -0.037 4.434 4.470 0.002 0.000 0.235 872 S C 1.811 176.430 174.600 0.032 0.000 0.988 872 S CA 0.748 58.940 58.200 -0.013 0.000 0.944 872 S CB -0.115 63.075 63.200 -0.018 0.000 0.762 872 S HN 0.223 nan 8.310 nan 0.000 0.526 873 L N -0.102 121.144 121.223 0.037 0.000 2.298 873 L HA 0.325 4.666 4.340 0.002 0.000 0.209 873 L C 2.334 179.273 176.870 0.114 0.000 1.084 873 L CA 0.445 55.326 54.840 0.069 0.000 0.816 873 L CB -0.268 41.829 42.059 0.062 0.000 0.967 873 L HN 0.260 nan 8.230 nan 0.000 0.460 874 I N -0.667 119.989 120.570 0.143 0.000 2.202 874 I HA -0.034 4.137 4.170 0.002 0.000 0.242 874 I C 1.253 177.497 176.117 0.212 0.000 1.091 874 I CA 1.082 62.514 61.300 0.220 0.000 1.368 874 I CB -0.225 37.918 38.000 0.239 0.000 1.058 874 I HN 0.382 nan 8.210 nan 0.000 0.410 875 G N -0.023 108.894 108.800 0.194 0.000 2.316 875 G HA2 -0.168 3.793 3.960 0.002 0.000 0.349 875 G HA3 -0.168 3.793 3.960 0.002 0.000 0.349 875 G C -0.668 174.344 174.900 0.186 0.000 1.274 875 G CA -0.650 44.546 45.100 0.161 0.000 1.018 875 G HN 0.038 nan 8.290 nan 0.000 0.486 876 N N 1.962 120.735 118.700 0.122 0.000 3.303 876 N HA 0.173 4.914 4.740 0.002 0.000 0.304 876 N C 0.216 175.737 175.510 0.018 0.000 1.302 876 N CA 0.260 53.370 53.050 0.101 0.000 1.213 876 N CB 0.131 38.660 38.487 0.071 0.000 1.481 876 N HN 0.463 nan 8.380 nan 0.000 0.546 877 E N 0.338 120.479 120.200 -0.098 0.000 2.961 877 E HA 0.243 4.594 4.350 0.002 0.000 0.254 877 E C -0.143 176.138 176.600 -0.532 0.000 1.192 877 E CA -0.371 55.809 56.400 -0.367 0.000 1.069 877 E CB 0.975 30.282 29.700 -0.656 0.000 1.338 877 E HN 0.235 nan 8.360 nan 0.000 0.596 878 E N 0.550 120.382 120.200 -0.613 0.000 2.115 878 E HA 0.332 4.683 4.350 0.002 0.000 0.282 878 E C -0.933 175.235 176.600 -0.720 0.000 0.987 878 E CA -0.143 55.981 56.400 -0.460 0.000 0.797 878 E CB 0.602 30.190 29.700 -0.186 0.000 1.086 878 E HN 0.165 nan 8.360 nan 0.000 0.397 879 F N 2.155 122.025 119.950 -0.133 0.000 2.538 879 F HA 0.498 5.026 4.527 0.002 0.000 0.325 879 F C -0.263 175.471 175.800 -0.111 0.000 1.066 879 F CA -1.138 56.786 58.000 -0.126 0.000 0.946 879 F CB 1.146 40.084 39.000 -0.103 0.000 1.199 879 F HN 0.238 nan 8.300 nan 0.000 0.473 880 L N 1.632 122.922 121.223 0.112 0.000 2.381 880 L HA 0.409 4.750 4.340 0.002 0.000 0.268 880 L C -0.970 175.836 176.870 -0.107 0.000 0.997 880 L CA -0.498 54.291 54.840 -0.084 0.000 0.818 880 L CB 1.711 43.620 42.059 -0.249 0.000 1.310 880 L HN 0.458 nan 8.230 nan 0.000 0.416 881 D N 2.111 122.399 120.400 -0.187 0.000 2.313 881 D HA 0.115 4.756 4.640 0.002 0.000 0.239 881 D C -0.337 175.822 176.300 -0.235 0.000 1.142 881 D CA 0.177 54.101 54.000 -0.126 0.000 0.847 881 D CB 0.676 41.426 40.800 -0.084 0.000 1.082 881 D HN 0.414 nan 8.370 nan 0.000 0.480 882 Y N 2.331 122.615 120.300 -0.026 0.000 2.485 882 Y HA 0.171 4.722 4.550 0.002 0.000 0.260 882 Y C 0.820 176.684 175.900 -0.060 0.000 1.173 882 Y CA -0.274 57.803 58.100 -0.038 0.000 1.252 882 Y CB 0.293 38.723 38.460 -0.049 0.000 1.123 882 Y HN 0.217 nan 8.280 nan 0.000 0.524 883 M N 0.000 119.629 119.600 0.048 0.000 2.572 883 M HA 0.000 4.481 4.480 0.002 0.000 0.227 883 M CA 0.000 55.300 55.300 -0.000 0.000 0.988 883 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 883 M HN 0.000 nan 8.290 nan 0.000 0.411