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 2dw6_1_C DATA FIRST_RESID 2 DATA SEQUENCE SVRIVDVREI TKPISSPIRN AYIDFTKMTT SLVAVVTDVV REGKRVVGYG DATA SEQUENCE FNSNGRYGQG GLIRERFASR ILEADPKKLL NEAGDNLDPD KVWAAMMINE DATA SEQUENCE KPGGHGERSV AVGTIDMAVW DAVAKIAGKP LFRLLAERHG VKANPRVFVY DATA SEQUENCE AAGGYYYPGK GLSMLRGEMR GYLDRGYNVV KMAIGGAPIE EDRMRIEAVL DATA SEQUENCE EEIGKDAQLA VDANGRFNLE TGIAYAKMLR DYPLFWYEEV GDPLDYALQA DATA SEQUENCE ALAEFYPGPM ATGENLFSHQ DARNLLRYGG MRPDRDWLQF DCALSYGLCE DATA SEQUENCE YQRTLEVLKT HGWSPSRCIP HGGHQMSLNI AAGLGLGGNE SYPDLFQPYG DATA SEQUENCE GFPDGVRVEN GHITMPDLPG IGFEGKSDLY KEMKALAE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.597 174.600 -0.004 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 3 V N 6.161 126.071 119.914 -0.007 0.000 2.447 3 V HA 0.774 4.894 4.120 -0.000 0.000 0.292 3 V C -0.219 175.868 176.094 -0.012 0.000 1.021 3 V CA -0.607 61.687 62.300 -0.010 0.000 0.850 3 V CB 1.343 33.157 31.823 -0.015 0.000 1.005 3 V HN 0.955 nan 8.190 nan 0.000 0.426 4 R N 4.035 124.529 120.500 -0.010 0.000 2.680 4 R HA 0.718 5.058 4.340 -0.000 0.000 0.269 4 R C -1.640 174.654 176.300 -0.010 0.000 1.026 4 R CA -0.959 55.135 56.100 -0.010 0.000 0.889 4 R CB 1.908 32.205 30.300 -0.006 0.000 1.241 4 R HN 0.461 nan 8.270 nan 0.000 0.463 5 I N 3.334 123.898 120.570 -0.011 0.000 2.363 5 I HA 0.077 4.247 4.170 -0.000 0.000 0.292 5 I C 0.718 176.832 176.117 -0.004 0.000 1.075 5 I CA -0.457 60.838 61.300 -0.010 0.000 1.333 5 I CB 1.711 39.705 38.000 -0.009 0.000 1.415 5 I HN 0.535 nan 8.210 nan 0.000 0.502 6 V N 4.375 124.287 119.914 -0.003 0.000 3.174 6 V HA 0.068 4.188 4.120 -0.000 0.000 0.254 6 V C 0.189 176.285 176.094 0.003 0.000 1.120 6 V CA 1.092 63.392 62.300 0.000 0.000 1.114 6 V CB -0.394 31.430 31.823 0.002 0.000 0.756 6 V HN 0.810 nan 8.190 nan 0.000 0.467 7 D N -1.967 118.435 120.400 0.003 0.000 2.685 7 D HA 0.355 4.995 4.640 -0.000 0.000 0.236 7 D C -1.596 174.710 176.300 0.010 0.000 1.233 7 D CA -0.148 53.857 54.000 0.008 0.000 0.760 7 D CB 2.430 43.236 40.800 0.011 0.000 1.410 7 D HN -0.208 nan 8.370 nan 0.000 0.439 8 V N 3.119 123.043 119.914 0.017 0.000 2.419 8 V HA 0.542 4.662 4.120 -0.000 0.000 0.287 8 V C -0.100 176.013 176.094 0.033 0.000 1.017 8 V CA -0.640 61.675 62.300 0.025 0.000 0.844 8 V CB 1.446 33.288 31.823 0.032 0.000 1.011 8 V HN 0.401 nan 8.190 nan 0.000 0.429 9 R N 2.928 123.453 120.500 0.042 0.000 2.668 9 R HA 0.771 5.111 4.340 -0.000 0.000 0.279 9 R C -0.706 175.628 176.300 0.057 0.000 0.976 9 R CA -0.734 55.395 56.100 0.047 0.000 0.978 9 R CB 2.476 32.808 30.300 0.053 0.000 1.133 9 R HN 0.646 nan 8.270 nan 0.000 0.484 10 E N 2.693 122.920 120.200 0.045 0.000 2.383 10 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 10 E C -1.624 174.993 176.600 0.028 0.000 0.918 10 E CA -0.771 55.654 56.400 0.042 0.000 0.764 10 E CB 2.483 32.205 29.700 0.036 0.000 1.252 10 E HN 0.571 nan 8.360 nan 0.000 0.449 11 I N 1.964 122.545 120.570 0.019 0.000 2.649 11 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 11 I C -1.075 175.030 176.117 -0.021 0.000 1.222 11 I CA -0.297 61.005 61.300 0.003 0.000 1.046 11 I CB 2.114 40.119 38.000 0.008 0.000 1.272 11 I HN 0.364 nan 8.210 nan 0.000 0.425 12 T N 6.790 121.329 114.554 -0.024 0.000 2.794 12 T HA 0.346 4.696 4.350 -0.000 0.000 0.296 12 T C -0.295 174.372 174.700 -0.056 0.000 0.949 12 T CA -0.502 61.573 62.100 -0.043 0.000 1.101 12 T CB 0.465 69.319 68.868 -0.023 0.000 0.905 12 T HN 0.311 nan 8.240 nan 0.000 0.516 13 K N 4.350 124.681 120.400 -0.114 0.000 2.203 13 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 13 K C -2.623 173.921 176.600 -0.093 0.000 0.944 13 K CA -2.528 53.692 56.287 -0.112 0.000 0.829 13 K CB 1.910 34.269 32.500 -0.236 0.000 1.125 13 K HN 0.318 nan 8.250 nan 0.000 0.430 14 P HA 0.369 nan 4.420 nan 0.000 0.290 14 P C -0.058 177.274 177.300 0.053 0.000 1.276 14 P CA -0.482 62.629 63.100 0.018 0.000 0.808 14 P CB 0.528 32.250 31.700 0.037 0.000 0.966 15 I N -0.582 120.029 120.570 0.068 0.000 3.171 15 I HA 0.245 4.415 4.170 -0.000 0.000 0.329 15 I C 0.031 176.272 176.117 0.208 0.000 1.522 15 I CA -0.632 60.764 61.300 0.160 0.000 0.948 15 I CB 0.360 38.453 38.000 0.156 0.000 1.527 15 I HN 0.056 nan 8.210 nan 0.000 0.547 16 S N 1.196 116.983 115.700 0.145 0.000 2.646 16 S HA 0.877 5.347 4.470 -0.000 0.000 0.276 16 S C 0.156 174.834 174.600 0.130 0.000 1.222 16 S CA 0.036 58.331 58.200 0.158 0.000 1.014 16 S CB 1.763 65.034 63.200 0.118 0.000 0.991 16 S HN 0.713 nan 8.310 nan 0.000 0.533 17 S N -0.587 115.200 115.700 0.145 0.000 2.633 17 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 17 S C -3.112 171.561 174.600 0.123 0.000 1.112 17 S CA -1.001 57.268 58.200 0.114 0.000 0.828 17 S CB 0.858 64.104 63.200 0.078 0.000 1.086 17 S HN 0.493 nan 8.310 nan 0.000 0.461 18 P HA 0.208 nan 4.420 nan 0.000 0.253 18 P C 0.740 178.055 177.300 0.025 0.000 1.281 18 P CA -0.129 62.958 63.100 -0.023 0.000 0.792 18 P CB -0.863 30.692 31.700 -0.242 0.000 1.193 19 I N -1.848 118.799 120.570 0.128 0.000 2.813 19 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 19 I C 0.301 176.538 176.117 0.200 0.000 1.196 19 I CA -0.241 61.129 61.300 0.116 0.000 1.421 19 I CB 0.284 38.069 38.000 -0.359 0.000 1.365 19 I HN -0.156 nan 8.210 nan 0.000 0.591 20 R N 3.677 124.391 120.500 0.357 0.000 2.698 20 R HA 0.469 4.809 4.340 -0.000 0.000 0.275 20 R C -1.390 175.312 176.300 0.670 0.000 1.001 20 R CA -0.670 55.709 56.100 0.466 0.000 0.896 20 R CB 1.680 32.174 30.300 0.322 0.000 1.218 20 R HN 1.007 nan 8.270 nan 0.000 0.462 21 N N 1.837 120.905 118.700 0.614 0.000 2.890 21 N HA 0.357 5.097 4.740 -0.000 0.000 0.317 21 N C 0.353 176.093 175.510 0.383 0.000 1.355 21 N CA -0.281 53.108 53.050 0.565 0.000 0.803 21 N CB 0.768 39.569 38.487 0.524 0.000 1.465 21 N HN 0.497 nan 8.380 nan 0.000 0.591 22 A N -1.351 121.647 122.820 0.296 0.000 2.024 22 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 22 A C 1.400 179.057 177.584 0.121 0.000 1.164 22 A CA 1.267 53.391 52.037 0.144 0.000 0.643 22 A CB -1.091 17.934 19.000 0.042 0.000 0.806 22 A HN 0.703 nan 8.150 nan 0.000 0.451 23 Y N -2.644 117.709 120.300 0.089 0.000 2.559 23 Y HA 0.479 5.029 4.550 -0.000 0.000 0.279 23 Y C 0.253 176.200 175.900 0.078 0.000 1.117 23 Y CA -0.071 58.067 58.100 0.063 0.000 1.263 23 Y CB 0.645 39.131 38.460 0.043 0.000 1.230 23 Y HN 0.198 nan 8.280 nan 0.000 0.528 24 I N -0.232 120.539 120.570 0.334 0.000 3.095 24 I HA 0.216 4.385 4.170 -0.000 0.000 0.310 24 I C -1.478 174.796 176.117 0.260 0.000 1.196 24 I CA -0.881 60.554 61.300 0.224 0.000 0.985 24 I CB 1.983 40.038 38.000 0.092 0.000 1.250 24 I HN 0.086 nan 8.210 nan 0.000 0.446 25 D N 1.393 121.902 120.400 0.181 0.000 2.433 25 D HA 0.365 5.005 4.640 -0.000 0.000 0.236 25 D C -0.673 175.747 176.300 0.200 0.000 1.026 25 D CA -0.302 53.866 54.000 0.280 0.000 0.884 25 D CB 0.918 41.827 40.800 0.182 0.000 1.384 25 D HN 0.203 nan 8.370 nan 0.000 0.477 26 F N 0.709 120.686 119.950 0.044 0.000 2.713 26 F HA 0.223 4.750 4.527 -0.000 0.000 0.294 26 F C 2.085 177.906 175.800 0.036 0.000 1.152 26 F CA -0.373 57.636 58.000 0.016 0.000 1.385 26 F CB -0.229 38.771 39.000 -0.001 0.000 0.981 26 F HN 0.397 nan 8.300 nan 0.000 0.514 27 T N -0.196 114.458 114.554 0.168 0.000 2.803 27 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 27 T C 1.788 176.554 174.700 0.111 0.000 1.052 27 T CA 1.505 63.675 62.100 0.118 0.000 1.136 27 T CB -0.020 68.898 68.868 0.083 0.000 0.864 27 T HN 0.056 nan 8.240 nan 0.000 0.467 28 K N -0.061 120.420 120.400 0.136 0.000 2.506 28 K HA 0.311 4.631 4.320 -0.000 0.000 0.204 28 K C -0.083 176.660 176.600 0.239 0.000 1.045 28 K CA -0.325 56.060 56.287 0.164 0.000 1.074 28 K CB 0.348 32.938 32.500 0.150 0.000 0.842 28 K HN 0.265 nan 8.250 nan 0.000 0.514 29 M N 2.398 122.062 119.600 0.107 0.000 2.248 29 M HA -0.004 4.476 4.480 -0.000 0.000 0.345 29 M C 0.248 176.554 176.300 0.009 0.000 1.243 29 M CA 0.628 55.877 55.300 -0.085 0.000 1.090 29 M CB 0.269 32.794 32.600 -0.125 0.000 1.683 29 M HN 0.310 nan 8.290 nan 0.000 0.450 30 T N 0.783 115.327 114.554 -0.016 0.000 2.838 30 T HA 0.857 5.207 4.350 -0.000 0.000 0.292 30 T C -0.495 174.145 174.700 -0.099 0.000 1.113 30 T CA -0.839 61.252 62.100 -0.014 0.000 1.008 30 T CB 1.818 70.721 68.868 0.059 0.000 1.259 30 T HN 0.723 nan 8.240 nan 0.000 0.520 31 T N -0.279 114.192 114.554 -0.139 0.000 2.889 31 T HA 0.578 4.928 4.350 -0.000 0.000 0.315 31 T C -1.343 173.260 174.700 -0.162 0.000 1.291 31 T CA -0.545 61.451 62.100 -0.173 0.000 1.028 31 T CB 1.690 70.390 68.868 -0.279 0.000 1.235 31 T HN 0.730 nan 8.240 nan 0.000 0.491 32 S N 2.625 118.269 115.700 -0.093 0.000 2.457 32 S HA 0.597 5.067 4.470 -0.000 0.000 0.289 32 S C -0.662 173.921 174.600 -0.027 0.000 1.163 32 S CA -0.581 57.586 58.200 -0.055 0.000 1.078 32 S CB 0.773 63.963 63.200 -0.017 0.000 0.987 32 S HN 0.612 nan 8.310 nan 0.000 0.482 33 L N 5.918 127.122 121.223 -0.031 0.000 2.272 33 L HA 0.620 4.960 4.340 -0.000 0.000 0.289 33 L C -0.863 176.059 176.870 0.087 0.000 1.032 33 L CA -0.124 54.740 54.840 0.040 0.000 0.810 33 L CB 0.939 43.001 42.059 0.005 0.000 1.205 33 L HN 0.413 nan 8.230 nan 0.000 0.422 34 V N 4.294 124.290 119.914 0.137 0.000 2.715 34 V HA 0.902 5.022 4.120 -0.000 0.000 0.310 34 V C -0.171 176.044 176.094 0.202 0.000 1.054 34 V CA -0.469 61.911 62.300 0.134 0.000 0.928 34 V CB 1.681 33.560 31.823 0.093 0.000 1.007 34 V HN 0.936 nan 8.190 nan 0.000 0.437 35 A N 3.424 126.333 122.820 0.147 0.000 2.343 35 A HA 0.803 5.123 4.320 -0.000 0.000 0.308 35 A C -1.118 176.462 177.584 -0.006 0.000 1.092 35 A CA -0.492 51.593 52.037 0.080 0.000 0.751 35 A CB 1.735 20.831 19.000 0.160 0.000 1.203 35 A HN 0.633 nan 8.150 nan 0.000 0.452 36 V N 3.932 123.799 119.914 -0.078 0.000 2.294 36 V HA 0.269 4.389 4.120 -0.000 0.000 0.272 36 V C -0.165 175.879 176.094 -0.084 0.000 1.027 36 V CA -0.388 61.883 62.300 -0.049 0.000 0.823 36 V CB 1.157 32.965 31.823 -0.025 0.000 1.030 36 V HN 0.647 nan 8.190 nan 0.000 0.457 37 V N 5.117 125.002 119.914 -0.049 0.000 2.461 37 V HA 0.479 4.599 4.120 -0.000 0.000 0.275 37 V C 0.747 176.826 176.094 -0.025 0.000 1.047 37 V CA -0.120 62.156 62.300 -0.040 0.000 0.955 37 V CB 1.435 33.251 31.823 -0.012 0.000 0.988 37 V HN 0.960 nan 8.190 nan 0.000 0.471 38 T N 0.161 114.701 114.554 -0.024 0.000 2.919 38 T HA 0.429 4.779 4.350 -0.000 0.000 0.282 38 T C 0.282 174.979 174.700 -0.004 0.000 1.020 38 T CA -0.291 61.801 62.100 -0.014 0.000 0.994 38 T CB 1.801 70.659 68.868 -0.017 0.000 1.180 38 T HN 0.684 nan 8.240 nan 0.000 0.566 39 D N -0.342 120.056 120.400 -0.002 0.000 2.402 39 D HA 0.171 4.811 4.640 -0.000 0.000 0.216 39 D C 0.104 176.406 176.300 0.005 0.000 1.128 39 D CA -0.336 53.666 54.000 0.003 0.000 0.833 39 D CB -0.459 40.342 40.800 0.002 0.000 0.971 39 D HN 0.335 nan 8.370 nan 0.000 0.503 40 V N 1.058 120.974 119.914 0.003 0.000 2.498 40 V HA 0.252 4.372 4.120 -0.000 0.000 0.279 40 V C 0.311 176.412 176.094 0.012 0.000 1.048 40 V CA -0.968 61.335 62.300 0.005 0.000 0.967 40 V CB 1.752 33.576 31.823 0.001 0.000 0.988 40 V HN 0.134 nan 8.190 nan 0.000 0.473 41 V N 7.098 127.020 119.914 0.014 0.000 2.435 41 V HA 0.673 4.793 4.120 -0.000 0.000 0.290 41 V C -0.381 175.725 176.094 0.020 0.000 1.030 41 V CA -0.482 61.830 62.300 0.020 0.000 0.881 41 V CB 1.393 33.227 31.823 0.019 0.000 0.983 41 V HN 0.874 nan 8.190 nan 0.000 0.445 42 R N 4.817 125.333 120.500 0.026 0.000 2.502 42 R HA 0.409 4.749 4.340 -0.000 0.000 0.298 42 R C -0.274 176.044 176.300 0.030 0.000 1.018 42 R CA -0.369 55.745 56.100 0.025 0.000 0.899 42 R CB 1.325 31.640 30.300 0.025 0.000 1.181 42 R HN 0.999 nan 8.270 nan 0.000 0.444 43 E N 1.074 121.290 120.200 0.026 0.000 2.416 43 E HA -0.266 4.084 4.350 -0.000 0.000 0.249 43 E C 0.716 177.335 176.600 0.032 0.000 1.124 43 E CA 0.723 57.139 56.400 0.027 0.000 0.732 43 E CB -1.138 28.580 29.700 0.029 0.000 1.286 43 E HN 1.164 nan 8.360 nan 0.000 0.394 44 G N -0.096 108.722 108.800 0.030 0.000 2.347 44 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.247 44 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.247 44 G C 0.355 175.278 174.900 0.038 0.000 1.037 44 G CA 0.870 45.989 45.100 0.032 0.000 0.622 44 G HN 0.317 nan 8.290 nan 0.000 0.521 45 K N 1.318 121.746 120.400 0.047 0.000 2.123 45 K HA 0.521 4.841 4.320 -0.000 0.000 0.259 45 K C 0.867 177.500 176.600 0.054 0.000 0.960 45 K CA -0.780 55.543 56.287 0.059 0.000 0.872 45 K CB 0.829 33.379 32.500 0.083 0.000 1.079 45 K HN 0.550 nan 8.250 nan 0.000 0.440 46 R N 1.164 121.696 120.500 0.054 0.000 2.490 46 R HA 0.246 4.586 4.340 -0.000 0.000 0.278 46 R C -0.215 176.114 176.300 0.049 0.000 1.069 46 R CA -0.781 55.344 56.100 0.042 0.000 1.080 46 R CB 1.008 31.328 30.300 0.033 0.000 1.030 46 R HN 0.259 nan 8.270 nan 0.000 0.491 47 V N 3.378 123.311 119.914 0.031 0.000 2.488 47 V HA 0.321 4.441 4.120 -0.000 0.000 0.277 47 V C -0.667 175.418 176.094 -0.016 0.000 1.046 47 V CA -0.205 62.109 62.300 0.023 0.000 0.986 47 V CB 1.116 32.948 31.823 0.015 0.000 0.989 47 V HN 0.599 nan 8.190 nan 0.000 0.475 48 V N 6.610 126.492 119.914 -0.054 0.000 2.531 48 V HA 0.686 4.806 4.120 -0.000 0.000 0.301 48 V C 0.676 176.523 176.094 -0.412 0.000 1.034 48 V CA -0.026 62.136 62.300 -0.229 0.000 0.865 48 V CB 1.487 33.150 31.823 -0.267 0.000 0.995 48 V HN 1.087 nan 8.190 nan 0.000 0.424 49 G N 2.996 111.598 108.800 -0.330 0.000 2.400 49 G HA2 0.609 4.569 3.960 -0.000 0.000 0.301 49 G HA3 0.609 4.569 3.960 -0.000 0.000 0.301 49 G C -1.494 173.210 174.900 -0.327 0.000 1.154 49 G CA -0.120 44.862 45.100 -0.196 0.000 0.852 49 G HN 0.475 nan 8.290 nan 0.000 0.511 50 Y N -0.451 120.023 120.300 0.289 0.000 2.570 50 Y HA 0.756 5.306 4.550 -0.000 0.000 0.345 50 Y C 0.658 176.732 175.900 0.290 0.000 1.014 50 Y CA -0.448 57.803 58.100 0.252 0.000 1.063 50 Y CB 2.835 41.425 38.460 0.216 0.000 1.272 50 Y HN 0.898 nan 8.280 nan 0.000 0.477 51 G N 0.770 109.761 108.800 0.318 0.000 2.601 51 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 51 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 51 G C -2.134 172.839 174.900 0.122 0.000 1.456 51 G CA -0.862 44.322 45.100 0.141 0.000 0.804 51 G HN 0.616 nan 8.290 nan 0.000 0.499 52 F N -0.648 119.289 119.950 -0.022 0.000 2.668 52 F HA 0.665 5.192 4.527 -0.000 0.000 0.309 52 F C -0.565 175.164 175.800 -0.119 0.000 1.117 52 F CA -1.635 56.308 58.000 -0.096 0.000 0.951 52 F CB 1.316 40.231 39.000 -0.143 0.000 1.323 52 F HN 0.616 nan 8.300 nan 0.000 0.451 53 N N 0.900 119.648 118.700 0.079 0.000 2.495 53 N HA 0.386 5.126 4.740 -0.000 0.000 0.280 53 N C -0.754 174.815 175.510 0.097 0.000 1.168 53 N CA -0.489 52.554 53.050 -0.011 0.000 0.978 53 N CB 1.701 40.158 38.487 -0.051 0.000 1.191 53 N HN 0.691 nan 8.380 nan 0.000 0.497 54 S N 0.538 116.296 115.700 0.097 0.000 2.589 54 S HA 0.026 4.496 4.470 -0.000 0.000 0.265 54 S C 0.641 175.234 174.600 -0.011 0.000 1.342 54 S CA -0.880 57.425 58.200 0.174 0.000 1.005 54 S CB 0.086 63.505 63.200 0.365 0.000 0.909 54 S HN 0.774 nan 8.310 nan 0.000 0.555 55 N N 0.210 118.782 118.700 -0.213 0.000 2.381 55 N HA 0.200 4.940 4.740 -0.000 0.000 0.241 55 N C 0.983 176.400 175.510 -0.155 0.000 1.279 55 N CA 0.543 53.315 53.050 -0.464 0.000 0.896 55 N CB 0.257 37.963 38.487 -1.302 0.000 1.118 55 N HN 0.873 nan 8.380 nan 0.000 0.438 56 G N 1.116 109.739 108.800 -0.295 0.000 2.345 56 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 56 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 56 G C 0.853 175.499 174.900 -0.423 0.000 1.058 56 G CA -0.072 44.816 45.100 -0.354 0.000 0.632 56 G HN 0.586 nan 8.290 nan 0.000 0.508 57 R N 0.076 120.401 120.500 -0.291 0.000 2.362 57 R HA 0.484 4.824 4.340 -0.000 0.000 0.227 57 R C 0.337 176.616 176.300 -0.036 0.000 0.905 57 R CA -0.103 55.894 56.100 -0.172 0.000 1.067 57 R CB -0.527 29.661 30.300 -0.187 0.000 1.078 57 R HN 0.789 nan 8.270 nan 0.000 0.516 58 Y N -0.910 119.305 120.300 -0.142 0.000 2.506 58 Y HA -0.209 4.341 4.550 -0.000 0.000 0.020 58 Y C 1.145 176.978 175.900 -0.111 0.000 1.702 58 Y CA 0.490 58.516 58.100 -0.123 0.000 1.419 58 Y CB -1.201 37.193 38.460 -0.110 0.000 2.065 58 Y HN 0.241 nan 8.280 nan 0.000 0.254 59 G N 0.861 109.715 108.800 0.090 0.000 2.569 59 G HA2 0.426 4.386 3.960 -0.000 0.000 0.249 59 G HA3 0.426 4.386 3.960 -0.000 0.000 0.249 59 G C -0.173 174.735 174.900 0.014 0.000 1.216 59 G CA -0.538 44.569 45.100 0.013 0.000 0.845 59 G HN 0.431 nan 8.290 nan 0.000 0.568 60 Q N 0.989 120.787 119.800 -0.003 0.000 2.217 60 Q HA 0.188 4.528 4.340 -0.000 0.000 0.340 60 Q C 1.697 177.707 176.000 0.017 0.000 0.893 60 Q CA 0.034 55.839 55.803 0.004 0.000 1.142 60 Q CB 0.748 29.483 28.738 -0.004 0.000 1.288 60 Q HN 0.718 nan 8.270 nan 0.000 0.426 61 G N 0.776 109.581 108.800 0.007 0.000 2.476 61 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 61 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 61 G C 1.251 176.159 174.900 0.013 0.000 1.164 61 G CA 1.130 46.237 45.100 0.011 0.000 0.768 61 G HN 0.512 nan 8.290 nan 0.000 0.560 62 G N 0.743 109.544 108.800 0.003 0.000 2.459 62 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 62 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 62 G C 1.832 176.733 174.900 0.001 0.000 1.183 62 G CA 0.810 45.906 45.100 -0.006 0.000 0.776 62 G HN 0.419 nan 8.290 nan 0.000 0.552 63 L N 0.059 121.300 121.223 0.030 0.000 2.046 63 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 63 L C 2.915 179.861 176.870 0.127 0.000 1.077 63 L CA 0.743 55.623 54.840 0.068 0.000 0.747 63 L CB -0.319 41.850 42.059 0.184 0.000 0.896 63 L HN 0.225 nan 8.230 nan 0.000 0.432 64 I N -0.679 119.986 120.570 0.159 0.000 2.163 64 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 64 I C 2.755 178.925 176.117 0.089 0.000 1.085 64 I CA 1.413 62.818 61.300 0.175 0.000 1.347 64 I CB -0.275 37.786 38.000 0.101 0.000 1.044 64 I HN 0.214 nan 8.210 nan 0.000 0.408 65 R N 0.478 120.999 120.500 0.035 0.000 2.055 65 R HA -0.102 4.238 4.340 -0.000 0.000 0.226 65 R C 2.200 178.480 176.300 -0.033 0.000 1.135 65 R CA 1.284 57.386 56.100 0.004 0.000 0.959 65 R CB -0.243 30.056 30.300 -0.002 0.000 0.854 65 R HN 0.361 nan 8.270 nan 0.000 0.431 66 E N -0.403 119.764 120.200 -0.057 0.000 2.208 66 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 66 E C 1.907 178.404 176.600 -0.171 0.000 0.988 66 E CA 0.829 57.172 56.400 -0.095 0.000 0.828 66 E CB 0.251 29.898 29.700 -0.088 0.000 0.763 66 E HN 0.163 nan 8.360 nan 0.000 0.478 67 R N -1.475 118.860 120.500 -0.275 0.000 2.437 67 R HA 0.119 4.459 4.340 -0.000 0.000 0.184 67 R C 1.530 177.495 176.300 -0.558 0.000 0.850 67 R CA 0.074 55.864 56.100 -0.516 0.000 1.073 67 R CB 0.281 30.063 30.300 -0.864 0.000 1.336 67 R HN 0.057 nan 8.270 nan 0.000 0.640 68 F N 0.594 120.521 119.950 -0.038 0.000 2.220 68 F HA 0.237 4.764 4.527 -0.000 0.000 0.290 68 F C 2.386 178.164 175.800 -0.037 0.000 1.080 68 F CA 0.925 58.897 58.000 -0.046 0.000 1.318 68 F CB -0.758 38.210 39.000 -0.053 0.000 1.063 68 F HN 0.047 nan 8.300 nan 0.000 0.498 69 A N 0.623 123.522 122.820 0.132 0.000 1.883 69 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 69 A C 2.397 179.999 177.584 0.031 0.000 1.186 69 A CA 2.528 54.608 52.037 0.071 0.000 0.624 69 A CB -1.369 17.663 19.000 0.053 0.000 0.822 69 A HN 0.416 nan 8.150 nan 0.000 0.444 70 S N 0.159 115.859 115.700 0.001 0.000 2.374 70 S HA -0.266 4.204 4.470 -0.000 0.000 0.227 70 S C 1.965 176.557 174.600 -0.013 0.000 1.037 70 S CA 1.498 59.688 58.200 -0.016 0.000 1.024 70 S CB -0.517 62.658 63.200 -0.041 0.000 0.861 70 S HN 0.627 nan 8.310 nan 0.000 0.456 71 R N 0.813 121.304 120.500 -0.013 0.000 2.081 71 R HA 0.131 4.471 4.340 -0.000 0.000 0.235 71 R C 2.366 178.672 176.300 0.010 0.000 1.131 71 R CA 1.656 57.753 56.100 -0.005 0.000 0.960 71 R CB -0.580 29.721 30.300 0.001 0.000 0.856 71 R HN 0.463 nan 8.270 nan 0.000 0.436 72 I N 0.686 121.271 120.570 0.024 0.000 2.202 72 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 72 I C 2.051 178.175 176.117 0.011 0.000 1.091 72 I CA 1.331 62.644 61.300 0.021 0.000 1.368 72 I CB -0.209 37.808 38.000 0.029 0.000 1.058 72 I HN 0.145 nan 8.210 nan 0.000 0.410 73 L N 0.101 121.329 121.223 0.009 0.000 2.201 73 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 73 L C 2.089 178.959 176.870 0.000 0.000 1.105 73 L CA 1.210 56.053 54.840 0.004 0.000 0.775 73 L CB -0.470 41.591 42.059 0.004 0.000 0.913 73 L HN 0.259 nan 8.230 nan 0.000 0.440 74 E N 0.267 120.466 120.200 -0.002 0.000 2.442 74 E HA 0.116 4.466 4.350 -0.000 0.000 0.195 74 E C 0.869 177.467 176.600 -0.002 0.000 1.030 74 E CA -0.011 56.386 56.400 -0.004 0.000 0.869 74 E CB 0.224 29.919 29.700 -0.009 0.000 0.857 74 E HN 0.409 nan 8.360 nan 0.000 0.505 75 A N 1.738 124.558 122.820 0.001 0.000 2.386 75 A HA 0.010 4.330 4.320 -0.000 0.000 0.248 75 A C 0.075 177.660 177.584 0.001 0.000 1.082 75 A CA -0.444 51.594 52.037 0.002 0.000 0.789 75 A CB 0.366 19.369 19.000 0.006 0.000 1.025 75 A HN -0.002 nan 8.150 nan 0.000 0.490 76 D N 2.025 122.425 120.400 0.001 0.000 2.382 76 D HA 0.131 4.771 4.640 -0.000 0.000 0.259 76 D C -1.512 174.787 176.300 -0.001 0.000 1.224 76 D CA -1.459 52.541 54.000 0.000 0.000 0.894 76 D CB 0.923 41.724 40.800 0.001 0.000 1.127 76 D HN 0.123 nan 8.370 nan 0.000 0.487 77 P HA -0.170 nan 4.420 nan 0.000 0.217 77 P C 0.910 178.207 177.300 -0.006 0.000 1.151 77 P CA 1.511 64.609 63.100 -0.004 0.000 0.849 77 P CB 0.229 31.927 31.700 -0.004 0.000 0.787 78 K N -0.391 120.007 120.400 -0.004 0.000 2.283 78 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 78 K C 1.488 178.085 176.600 -0.004 0.000 1.048 78 K CA 0.926 57.210 56.287 -0.005 0.000 0.948 78 K CB -0.148 32.350 32.500 -0.003 0.000 0.742 78 K HN 0.234 nan 8.250 nan 0.000 0.458 79 K N 0.567 120.966 120.400 -0.002 0.000 2.417 79 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 79 K C 0.903 177.503 176.600 -0.000 0.000 1.023 79 K CA 0.207 56.494 56.287 0.000 0.000 1.122 79 K CB 0.408 32.911 32.500 0.005 0.000 0.850 79 K HN 0.111 nan 8.250 nan 0.000 0.521 80 L N 0.939 122.159 121.223 -0.006 0.000 2.808 80 L HA 0.260 4.600 4.340 -0.000 0.000 0.246 80 L C 0.161 177.015 176.870 -0.026 0.000 1.153 80 L CA -0.115 54.718 54.840 -0.012 0.000 0.956 80 L CB 0.195 42.246 42.059 -0.013 0.000 1.270 80 L HN 0.038 nan 8.230 nan 0.000 0.528 81 L N 0.264 121.473 121.223 -0.023 0.000 2.416 81 L HA 0.326 4.666 4.340 -0.000 0.000 0.262 81 L C 0.298 177.150 176.870 -0.030 0.000 1.093 81 L CA -0.833 53.990 54.840 -0.029 0.000 0.801 81 L CB 0.692 42.738 42.059 -0.020 0.000 1.191 81 L HN 0.174 nan 8.230 nan 0.000 0.459 82 N N -0.093 118.587 118.700 -0.034 0.000 2.322 82 N HA 0.020 4.760 4.740 -0.000 0.000 0.270 82 N C 0.573 176.071 175.510 -0.019 0.000 1.286 82 N CA -0.419 52.612 53.050 -0.031 0.000 0.948 82 N CB 0.213 38.680 38.487 -0.035 0.000 1.164 82 N HN 0.469 nan 8.380 nan 0.000 0.551 83 E N -0.549 119.642 120.200 -0.016 0.000 2.065 83 E HA -0.241 4.109 4.350 -0.000 0.000 0.201 83 E C 1.613 178.207 176.600 -0.009 0.000 1.016 83 E CA 2.204 58.597 56.400 -0.011 0.000 0.818 83 E CB -0.735 28.959 29.700 -0.009 0.000 0.749 83 E HN 0.747 nan 8.360 nan 0.000 0.453 84 A N -0.008 122.807 122.820 -0.010 0.000 2.167 84 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 84 A C 1.798 179.377 177.584 -0.009 0.000 1.151 84 A CA 1.241 53.273 52.037 -0.008 0.000 0.735 84 A CB -0.351 18.645 19.000 -0.007 0.000 0.802 84 A HN 0.350 nan 8.150 nan 0.000 0.467 85 G N 0.379 109.172 108.800 -0.012 0.000 2.179 85 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 85 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 85 G C 0.141 175.034 174.900 -0.012 0.000 1.010 85 G CA 0.960 46.052 45.100 -0.012 0.000 0.736 85 G HN 0.871 nan 8.290 nan 0.000 0.513 86 D N -1.121 119.271 120.400 -0.013 0.000 2.431 86 D HA 0.315 4.955 4.640 -0.000 0.000 0.213 86 D C 0.611 176.901 176.300 -0.016 0.000 1.130 86 D CA -0.113 53.880 54.000 -0.012 0.000 0.834 86 D CB 0.423 41.218 40.800 -0.008 0.000 0.985 86 D HN 0.284 nan 8.370 nan 0.000 0.504 87 N N -0.365 118.321 118.700 -0.024 0.000 3.046 87 N HA 0.281 5.021 4.740 -0.000 0.000 0.243 87 N C -1.648 173.833 175.510 -0.049 0.000 1.452 87 N CA -0.601 52.428 53.050 -0.034 0.000 0.882 87 N CB 1.209 39.675 38.487 -0.035 0.000 1.425 87 N HN -0.074 nan 8.380 nan 0.000 0.517 88 L N 0.774 121.957 121.223 -0.067 0.000 2.417 88 L HA 0.277 4.617 4.340 -0.000 0.000 0.268 88 L C 0.323 177.115 176.870 -0.130 0.000 1.158 88 L CA -0.282 54.505 54.840 -0.087 0.000 0.819 88 L CB 0.472 42.473 42.059 -0.097 0.000 1.112 88 L HN 0.461 nan 8.230 nan 0.000 0.458 89 D N 3.680 124.008 120.400 -0.120 0.000 2.412 89 D HA 0.207 4.847 4.640 -0.000 0.000 0.224 89 D C -1.853 174.328 176.300 -0.198 0.000 1.093 89 D CA -1.948 51.965 54.000 -0.145 0.000 0.850 89 D CB 1.990 42.743 40.800 -0.077 0.000 1.046 89 D HN 0.166 nan 8.370 nan 0.000 0.507 90 P HA -0.143 nan 4.420 nan 0.000 0.216 90 P C 0.795 178.012 177.300 -0.137 0.000 1.157 90 P CA 1.028 63.827 63.100 -0.502 0.000 0.880 90 P CB 0.399 31.292 31.700 -1.345 0.000 0.791 91 D N -0.702 119.654 120.400 -0.073 0.000 2.178 91 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 91 D C 1.735 178.111 176.300 0.125 0.000 0.974 91 D CA 1.045 55.081 54.000 0.060 0.000 0.841 91 D CB -0.175 40.631 40.800 0.011 0.000 0.953 91 D HN 0.312 nan 8.370 nan 0.000 0.478 92 K N 0.461 120.891 120.400 0.050 0.000 2.103 92 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 92 K C 2.219 178.866 176.600 0.078 0.000 1.052 92 K CA 0.355 56.678 56.287 0.060 0.000 0.945 92 K CB 0.162 32.671 32.500 0.015 0.000 0.722 92 K HN -0.031 nan 8.250 nan 0.000 0.443 93 V N 0.177 120.125 119.914 0.057 0.000 2.427 93 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 93 V C 1.871 178.035 176.094 0.118 0.000 1.051 93 V CA 1.458 63.791 62.300 0.054 0.000 1.048 93 V CB -0.446 31.381 31.823 0.006 0.000 0.666 93 V HN 0.445 nan 8.190 nan 0.000 0.456 94 W N 0.955 122.253 121.300 -0.003 0.000 2.354 94 W HA -0.217 4.443 4.660 -0.000 0.000 0.315 94 W C 2.522 179.068 176.519 0.045 0.000 1.206 94 W CA 2.373 59.740 57.345 0.036 0.000 1.290 94 W CB -0.365 29.128 29.460 0.055 0.000 1.152 94 W HN 0.187 nan 8.180 nan 0.000 0.489 95 A N 0.381 123.429 122.820 0.380 0.000 1.908 95 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 95 A C 2.032 179.657 177.584 0.068 0.000 1.181 95 A CA 2.571 54.753 52.037 0.242 0.000 0.627 95 A CB -1.542 17.588 19.000 0.217 0.000 0.818 95 A HN 0.400 nan 8.150 nan 0.000 0.445 96 A N 0.436 123.291 122.820 0.059 0.000 1.902 96 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 96 A C 2.268 179.859 177.584 0.011 0.000 1.181 96 A CA 2.001 54.056 52.037 0.029 0.000 0.623 96 A CB -0.659 18.359 19.000 0.030 0.000 0.818 96 A HN 0.864 nan 8.150 nan 0.000 0.443 97 M N -3.252 116.339 119.600 -0.014 0.000 2.558 97 M HA 0.237 4.717 4.480 -0.000 0.000 0.255 97 M C 1.118 177.455 176.300 0.061 0.000 1.113 97 M CA 1.003 56.331 55.300 0.047 0.000 1.097 97 M CB 0.053 32.688 32.600 0.057 0.000 1.426 97 M HN 0.099 nan 8.290 nan 0.000 0.488 98 M N 2.184 121.701 119.600 -0.138 0.000 2.428 98 M HA 0.368 4.848 4.480 -0.000 0.000 0.239 98 M C 0.610 176.892 176.300 -0.029 0.000 1.121 98 M CA -0.396 54.805 55.300 -0.165 0.000 1.019 98 M CB -0.753 31.514 32.600 -0.555 0.000 1.485 98 M HN 0.438 nan 8.290 nan 0.000 0.484 99 I N -0.457 120.113 120.570 -0.001 0.000 2.754 99 I HA 0.093 4.263 4.170 -0.000 0.000 0.285 99 I C 0.288 176.408 176.117 0.005 0.000 1.166 99 I CA -0.066 61.240 61.300 0.010 0.000 1.417 99 I CB 0.177 38.181 38.000 0.007 0.000 1.382 99 I HN 0.274 nan 8.210 nan 0.000 0.588 100 N N 1.873 120.578 118.700 0.008 0.000 2.725 100 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 100 N C -0.849 174.665 175.510 0.006 0.000 1.103 100 N CA 0.984 54.034 53.050 -0.000 0.000 0.707 100 N CB -1.081 37.394 38.487 -0.020 0.000 1.043 100 N HN 0.705 nan 8.380 nan 0.000 0.553 101 E N 0.779 120.999 120.200 0.033 0.000 2.145 101 E HA 0.282 4.632 4.350 -0.000 0.000 0.270 101 E C 0.358 176.992 176.600 0.057 0.000 0.906 101 E CA -0.393 56.044 56.400 0.061 0.000 0.761 101 E CB 1.476 31.244 29.700 0.114 0.000 1.116 101 E HN 0.132 nan 8.360 nan 0.000 0.408 102 K N 3.114 123.541 120.400 0.045 0.000 2.258 102 K HA 0.248 4.568 4.320 -0.000 0.000 0.264 102 K C -1.859 174.764 176.600 0.040 0.000 1.007 102 K CA -1.307 55.001 56.287 0.035 0.000 0.941 102 K CB 0.217 32.727 32.500 0.017 0.000 0.966 102 K HN 0.303 nan 8.250 nan 0.000 0.480 103 P HA 0.042 nan 4.420 nan 0.000 0.271 103 P C 0.258 177.520 177.300 -0.063 0.000 1.233 103 P CA 0.041 63.163 63.100 0.037 0.000 0.789 103 P CB 0.456 32.187 31.700 0.052 0.000 0.951 104 G N 0.028 108.708 108.800 -0.200 0.000 2.796 104 G HA2 0.196 4.156 3.960 -0.000 0.000 0.226 104 G HA3 0.196 4.156 3.960 -0.000 0.000 0.226 104 G C 0.387 174.957 174.900 -0.550 0.000 1.381 104 G CA 0.318 45.176 45.100 -0.403 0.000 0.867 104 G HN 1.249 nan 8.290 nan 0.000 0.552 105 G N -1.400 107.199 108.800 -0.335 0.000 2.333 105 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.296 105 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.296 105 G C 0.207 175.052 174.900 -0.092 0.000 1.059 105 G CA 0.992 46.001 45.100 -0.152 0.000 1.050 105 G HN 1.661 nan 8.290 nan 0.000 0.508 106 H N 0.261 119.454 119.070 0.205 0.000 3.014 106 H HA 0.540 5.096 4.556 -0.000 0.000 0.266 106 H C 0.898 176.369 175.328 0.237 0.000 1.455 106 H CA 0.578 56.803 56.048 0.296 0.000 1.402 106 H CB 0.530 30.524 29.762 0.387 0.000 1.626 106 H HN 0.874 nan 8.280 nan 0.000 0.520 107 G N 0.620 109.517 108.800 0.161 0.000 2.702 107 G HA2 0.307 4.267 3.960 -0.000 0.000 0.296 107 G HA3 0.307 4.267 3.960 -0.000 0.000 0.296 107 G C -0.250 174.586 174.900 -0.106 0.000 1.463 107 G CA -0.497 44.593 45.100 -0.016 0.000 0.890 107 G HN 0.230 nan 8.290 nan 0.000 0.534 108 E N -0.826 119.239 120.200 -0.225 0.000 4.234 108 E HA -0.347 4.003 4.350 -0.000 0.000 0.187 108 E C 2.202 178.719 176.600 -0.139 0.000 1.237 108 E CA 3.017 59.329 56.400 -0.146 0.000 2.362 108 E CB -0.920 28.748 29.700 -0.053 0.000 1.813 108 E HN 0.848 nan 8.360 nan 0.000 0.402 109 R N 0.923 121.388 120.500 -0.060 0.000 2.148 109 R HA -0.002 4.338 4.340 -0.000 0.000 0.227 109 R C 2.054 178.131 176.300 -0.371 0.000 1.103 109 R CA 2.037 58.127 56.100 -0.016 0.000 0.983 109 R CB -0.501 29.948 30.300 0.250 0.000 0.874 109 R HN 0.363 nan 8.270 nan 0.000 0.451 110 S N 0.670 116.018 115.700 -0.587 0.000 2.402 110 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 110 S C 2.002 176.214 174.600 -0.648 0.000 1.021 110 S CA 0.976 58.465 58.200 -1.187 0.000 0.974 110 S CB -0.262 62.326 63.200 -1.021 0.000 0.800 110 S HN 0.167 nan 8.310 nan 0.000 0.484 111 V N 2.205 121.843 119.914 -0.459 0.000 2.407 111 V HA 0.031 4.151 4.120 -0.000 0.000 0.245 111 V C 3.105 179.063 176.094 -0.226 0.000 1.041 111 V CA 1.351 63.465 62.300 -0.310 0.000 1.040 111 V CB -1.396 30.263 31.823 -0.274 0.000 0.671 111 V HN 0.631 nan 8.190 nan 0.000 0.455 112 A N 0.054 122.739 122.820 -0.225 0.000 1.877 112 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 112 A C 2.385 179.801 177.584 -0.280 0.000 1.186 112 A CA 2.171 54.107 52.037 -0.169 0.000 0.620 112 A CB -0.716 18.259 19.000 -0.042 0.000 0.822 112 A HN 0.317 nan 8.150 nan 0.000 0.443 113 V N -0.131 119.486 119.914 -0.495 0.000 2.358 113 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 113 V C 2.795 178.822 176.094 -0.112 0.000 1.047 113 V CA 1.859 63.898 62.300 -0.434 0.000 1.035 113 V CB -1.367 30.173 31.823 -0.471 0.000 0.658 113 V HN 0.621 nan 8.190 nan 0.000 0.452 114 G N -1.245 107.501 108.800 -0.090 0.000 2.432 114 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 114 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 114 G C 1.765 176.666 174.900 0.002 0.000 1.135 114 G CA 1.517 46.634 45.100 0.028 0.000 0.767 114 G HN 0.443 nan 8.290 nan 0.000 0.550 115 T N 0.245 114.767 114.554 -0.052 0.000 2.896 115 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 115 T C 2.436 177.146 174.700 0.016 0.000 1.050 115 T CA 0.734 62.809 62.100 -0.041 0.000 1.140 115 T CB -0.185 68.656 68.868 -0.045 0.000 0.877 115 T HN 0.259 nan 8.240 nan 0.000 0.457 116 I N 1.281 121.859 120.570 0.014 0.000 2.252 116 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 116 I C 2.551 178.728 176.117 0.100 0.000 1.102 116 I CA 1.518 62.845 61.300 0.046 0.000 1.385 116 I CB -0.400 37.609 38.000 0.016 0.000 1.064 116 I HN 0.388 nan 8.210 nan 0.000 0.414 117 D N 1.248 121.736 120.400 0.145 0.000 2.123 117 D HA -0.280 4.360 4.640 -0.000 0.000 0.196 117 D C 2.266 178.771 176.300 0.341 0.000 0.992 117 D CA 1.619 55.793 54.000 0.290 0.000 0.833 117 D CB -0.010 41.036 40.800 0.409 0.000 0.954 117 D HN 0.299 nan 8.370 nan 0.000 0.455 118 M N 0.563 120.294 119.600 0.217 0.000 2.080 118 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 118 M C 2.262 178.704 176.300 0.236 0.000 1.068 118 M CA 2.150 57.563 55.300 0.187 0.000 1.109 118 M CB -0.111 32.512 32.600 0.038 0.000 1.342 118 M HN 0.086 nan 8.290 nan 0.000 0.405 119 A N -0.649 122.284 122.820 0.189 0.000 1.972 119 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 119 A C 2.010 179.669 177.584 0.125 0.000 1.169 119 A CA 1.661 53.800 52.037 0.170 0.000 0.635 119 A CB -0.965 18.105 19.000 0.116 0.000 0.810 119 A HN 0.447 nan 8.150 nan 0.000 0.446 120 V N -2.293 117.692 119.914 0.119 0.000 2.307 120 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 120 V C 2.221 178.323 176.094 0.014 0.000 1.045 120 V CA 1.757 64.073 62.300 0.027 0.000 1.024 120 V CB -0.995 30.811 31.823 -0.027 0.000 0.651 120 V HN 0.804 nan 8.190 nan 0.000 0.449 121 W N 0.344 121.678 121.300 0.057 0.000 2.402 121 W HA -0.121 4.539 4.660 -0.000 0.000 0.286 121 W C 2.312 178.850 176.519 0.032 0.000 1.221 121 W CA 1.465 58.836 57.345 0.045 0.000 1.257 121 W CB -0.349 29.138 29.460 0.045 0.000 1.120 121 W HN 0.315 nan 8.180 nan 0.000 0.551 122 D N -0.111 120.446 120.400 0.261 0.000 2.097 122 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 122 D C 2.209 178.577 176.300 0.112 0.000 0.989 122 D CA 2.079 56.182 54.000 0.173 0.000 0.827 122 D CB -0.438 40.490 40.800 0.215 0.000 0.966 122 D HN -0.012 nan 8.370 nan 0.000 0.456 123 A N -0.109 122.753 122.820 0.071 0.000 1.898 123 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 123 A C 2.566 180.158 177.584 0.014 0.000 1.181 123 A CA 1.559 53.608 52.037 0.020 0.000 0.620 123 A CB -0.869 18.122 19.000 -0.016 0.000 0.819 123 A HN 0.203 nan 8.150 nan 0.000 0.442 124 V N -0.049 119.865 119.914 0.001 0.000 2.287 124 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 124 V C 3.067 179.177 176.094 0.027 0.000 1.053 124 V CA 2.094 64.379 62.300 -0.025 0.000 1.027 124 V CB -1.223 30.529 31.823 -0.119 0.000 0.646 124 V HN 0.623 nan 8.190 nan 0.000 0.447 125 A N -0.499 122.370 122.820 0.081 0.000 1.902 125 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 125 A C 2.285 179.891 177.584 0.037 0.000 1.181 125 A CA 1.956 54.037 52.037 0.074 0.000 0.623 125 A CB -0.430 18.628 19.000 0.096 0.000 0.818 125 A HN 0.550 nan 8.150 nan 0.000 0.443 126 K N -0.427 119.997 120.400 0.040 0.000 2.057 126 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 126 K C 1.759 178.371 176.600 0.019 0.000 1.049 126 K CA 1.529 57.834 56.287 0.030 0.000 0.931 126 K CB -0.357 32.168 32.500 0.041 0.000 0.714 126 K HN 0.526 nan 8.250 nan 0.000 0.440 127 I N 0.825 121.402 120.570 0.013 0.000 2.286 127 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 127 I C 2.213 178.332 176.117 0.003 0.000 1.115 127 I CA 0.978 62.281 61.300 0.005 0.000 1.392 127 I CB -0.239 37.758 38.000 -0.006 0.000 1.065 127 I HN 0.146 nan 8.210 nan 0.000 0.418 128 A N 0.315 123.138 122.820 0.005 0.000 2.208 128 A HA 0.235 4.555 4.320 -0.000 0.000 0.209 128 A C 1.813 179.396 177.584 -0.001 0.000 1.161 128 A CA 0.765 52.804 52.037 0.003 0.000 0.782 128 A CB -0.648 18.358 19.000 0.009 0.000 0.816 128 A HN 0.551 nan 8.150 nan 0.000 0.477 129 G N -0.395 108.405 108.800 0.000 0.000 2.246 129 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 129 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 129 G C -0.027 174.861 174.900 -0.020 0.000 1.055 129 G CA 0.795 45.892 45.100 -0.005 0.000 0.851 129 G HN 0.626 nan 8.290 nan 0.000 0.500 130 K N -0.611 119.772 120.400 -0.028 0.000 2.482 130 K HA 0.525 4.845 4.320 -0.000 0.000 0.257 130 K C -3.031 173.516 176.600 -0.089 0.000 0.969 130 K CA -2.334 53.911 56.287 -0.070 0.000 0.842 130 K CB 2.620 35.072 32.500 -0.080 0.000 1.359 130 K HN -0.089 nan 8.250 nan 0.000 0.441 131 P HA 0.023 nan 4.420 nan 0.000 0.275 131 P C 0.458 177.640 177.300 -0.196 0.000 1.227 131 P CA -0.402 62.588 63.100 -0.183 0.000 0.781 131 P CB 0.553 32.028 31.700 -0.376 0.000 0.906 132 L N 4.846 126.051 121.223 -0.030 0.000 2.013 132 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 132 L C 1.899 178.773 176.870 0.005 0.000 1.073 132 L CA 2.037 56.892 54.840 0.024 0.000 0.753 132 L CB -1.620 40.475 42.059 0.060 0.000 0.890 132 L HN 0.449 nan 8.230 nan 0.000 0.432 133 F N -0.837 119.096 119.950 -0.028 0.000 2.250 133 F HA -0.121 4.406 4.527 -0.000 0.000 0.301 133 F C 2.279 178.072 175.800 -0.012 0.000 1.077 133 F CA 1.239 59.217 58.000 -0.037 0.000 1.348 133 F CB -0.834 38.145 39.000 -0.036 0.000 1.040 133 F HN -0.037 nan 8.300 nan 0.000 0.509 134 R N 0.196 120.273 120.500 -0.705 0.000 2.127 134 R HA 0.029 4.369 4.340 -0.000 0.000 0.217 134 R C 2.122 178.324 176.300 -0.164 0.000 1.074 134 R CA 1.001 56.827 56.100 -0.456 0.000 0.991 134 R CB -0.535 29.402 30.300 -0.606 0.000 0.895 134 R HN 0.354 nan 8.270 nan 0.000 0.450 135 L N 1.150 122.304 121.223 -0.116 0.000 2.093 135 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 135 L C 1.880 178.796 176.870 0.076 0.000 1.085 135 L CA 1.553 56.398 54.840 0.008 0.000 0.755 135 L CB -0.281 41.817 42.059 0.065 0.000 0.904 135 L HN 0.116 nan 8.230 nan 0.000 0.435 136 L N -0.812 120.446 121.223 0.057 0.000 2.017 136 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 136 L C 2.673 179.598 176.870 0.092 0.000 1.073 136 L CA 1.234 56.114 54.840 0.067 0.000 0.745 136 L CB -0.864 41.157 42.059 -0.062 0.000 0.894 136 L HN 0.369 nan 8.230 nan 0.000 0.432 137 A N -0.263 122.588 122.820 0.053 0.000 1.908 137 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 137 A C 2.143 179.787 177.584 0.100 0.000 1.181 137 A CA 1.889 53.969 52.037 0.072 0.000 0.627 137 A CB -0.495 18.547 19.000 0.070 0.000 0.818 137 A HN 0.455 nan 8.150 nan 0.000 0.445 138 E N -0.672 119.573 120.200 0.075 0.000 2.031 138 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 138 E C 2.341 179.000 176.600 0.099 0.000 0.994 138 E CA 1.269 57.711 56.400 0.069 0.000 0.800 138 E CB -0.156 29.570 29.700 0.042 0.000 0.752 138 E HN 0.555 nan 8.360 nan 0.000 0.447 139 R N -0.328 120.258 120.500 0.144 0.000 2.120 139 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 139 R C 1.656 178.015 176.300 0.097 0.000 1.123 139 R CA 1.190 57.374 56.100 0.140 0.000 0.975 139 R CB -0.184 30.244 30.300 0.213 0.000 0.866 139 R HN 0.250 nan 8.270 nan 0.000 0.446 140 H N -1.243 117.854 119.070 0.044 0.000 2.539 140 H HA 0.215 4.771 4.556 -0.000 0.000 0.269 140 H C 0.881 176.228 175.328 0.032 0.000 0.980 140 H CA 0.539 56.609 56.048 0.037 0.000 1.152 140 H CB 0.705 30.489 29.762 0.038 0.000 1.407 140 H HN 0.385 nan 8.280 nan 0.000 0.564 141 G N 0.943 109.818 108.800 0.125 0.000 2.273 141 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 141 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 141 G C 0.247 175.198 174.900 0.084 0.000 1.047 141 G CA 0.580 45.728 45.100 0.080 0.000 0.869 141 G HN 0.520 nan 8.290 nan 0.000 0.502 142 V N -4.867 115.107 119.914 0.099 0.000 3.126 142 V HA 0.927 5.047 4.120 -0.000 0.000 0.314 142 V C -0.157 175.979 176.094 0.070 0.000 1.138 142 V CA -1.976 60.373 62.300 0.081 0.000 1.034 142 V CB 2.086 33.962 31.823 0.087 0.000 1.075 142 V HN 0.068 nan 8.190 nan 0.000 0.442 143 K N 1.871 122.309 120.400 0.064 0.000 2.211 143 K HA 0.732 5.052 4.320 -0.000 0.000 0.275 143 K C 0.149 176.799 176.600 0.083 0.000 1.024 143 K CA 0.062 56.388 56.287 0.066 0.000 0.887 143 K CB 1.416 33.949 32.500 0.055 0.000 1.084 143 K HN 1.114 nan 8.250 nan 0.000 0.463 144 A N 3.209 126.096 122.820 0.112 0.000 2.366 144 A HA 0.186 4.506 4.320 -0.000 0.000 0.249 144 A C 0.190 177.862 177.584 0.147 0.000 1.084 144 A CA -0.183 51.958 52.037 0.173 0.000 0.794 144 A CB 0.124 19.312 19.000 0.314 0.000 1.034 144 A HN 0.691 nan 8.150 nan 0.000 0.491 145 N N 1.284 120.050 118.700 0.111 0.000 2.577 145 N HA 0.296 5.036 4.740 -0.000 0.000 0.275 145 N C -2.223 173.259 175.510 -0.047 0.000 1.091 145 N CA -1.899 51.180 53.050 0.048 0.000 0.843 145 N CB 1.882 40.395 38.487 0.042 0.000 1.295 145 N HN 0.260 nan 8.380 nan 0.000 0.530 146 P HA -0.080 nan 4.420 nan 0.000 0.228 146 P C 0.062 177.244 177.300 -0.197 0.000 1.151 146 P CA 0.455 63.380 63.100 -0.291 0.000 0.770 146 P CB 0.526 32.130 31.700 -0.159 0.000 0.786 147 R N 0.949 121.399 120.500 -0.082 0.000 2.210 147 R HA 0.377 4.717 4.340 -0.000 0.000 0.338 147 R C -1.063 175.266 176.300 0.049 0.000 1.062 147 R CA -0.224 55.863 56.100 -0.021 0.000 0.902 147 R CB 0.332 30.630 30.300 -0.004 0.000 1.050 147 R HN -0.152 nan 8.270 nan 0.000 0.461 148 V N 6.312 126.242 119.914 0.027 0.000 2.555 148 V HA 0.295 4.415 4.120 -0.000 0.000 0.302 148 V C -0.313 175.793 176.094 0.019 0.000 1.038 148 V CA -0.897 61.429 62.300 0.044 0.000 0.887 148 V CB 1.465 33.254 31.823 -0.056 0.000 0.991 148 V HN 0.640 nan 8.190 nan 0.000 0.434 149 F N 6.464 126.330 119.950 -0.141 0.000 2.443 149 F HA 0.624 5.151 4.527 -0.000 0.000 0.353 149 F C -0.029 175.648 175.800 -0.205 0.000 1.101 149 F CA -0.111 57.621 58.000 -0.446 0.000 1.226 149 F CB 1.002 39.798 39.000 -0.339 0.000 1.140 149 F HN 0.394 nan 8.300 nan 0.000 0.557 150 V N 4.459 123.684 119.914 -1.149 0.000 2.925 150 V HA 0.629 4.748 4.120 -0.000 0.000 0.311 150 V C -1.552 174.035 176.094 -0.846 0.000 1.104 150 V CA -1.033 60.788 62.300 -0.798 0.000 0.954 150 V CB 1.108 32.787 31.823 -0.240 0.000 1.022 150 V HN 0.906 nan 8.190 nan 0.000 0.427 151 Y N 1.607 121.501 120.300 -0.676 0.000 2.536 151 Y HA 0.969 5.519 4.550 -0.000 0.000 0.347 151 Y C -0.106 175.407 175.900 -0.644 0.000 1.000 151 Y CA -1.062 56.715 58.100 -0.539 0.000 1.051 151 Y CB 1.775 39.914 38.460 -0.535 0.000 1.259 151 Y HN 1.051 nan 8.280 nan 0.000 0.468 152 A N 2.157 124.454 122.820 -0.872 0.000 2.289 152 A HA 0.801 5.121 4.320 -0.000 0.000 0.298 152 A C -0.459 176.647 177.584 -0.798 0.000 1.208 152 A CA -0.186 51.075 52.037 -1.295 0.000 0.845 152 A CB -0.358 17.525 19.000 -1.863 0.000 1.125 152 A HN 1.284 nan 8.150 nan 0.000 0.517 153 A N 2.179 124.562 122.820 -0.728 0.000 2.304 153 A HA 0.891 5.211 4.320 -0.000 0.000 0.323 153 A C 0.572 178.074 177.584 -0.135 0.000 1.195 153 A CA 0.248 52.107 52.037 -0.297 0.000 0.826 153 A CB 1.013 19.898 19.000 -0.193 0.000 1.184 153 A HN 2.120 nan 8.150 nan 0.000 0.496 154 G N 0.195 108.968 108.800 -0.045 0.000 2.725 154 G HA2 0.530 4.490 3.960 -0.000 0.000 0.098 154 G HA3 0.530 4.490 3.960 -0.000 0.000 0.098 154 G C 0.666 175.514 174.900 -0.085 0.000 1.188 154 G CA 0.706 45.875 45.100 0.114 0.000 1.237 154 G HN 2.217 nan 8.290 nan 0.000 0.596 155 G N -0.404 108.408 108.800 0.020 0.000 2.323 155 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.292 155 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.292 155 G C 0.119 174.869 174.900 -0.250 0.000 1.040 155 G CA 0.968 46.003 45.100 -0.108 0.000 0.942 155 G HN 0.788 nan 8.290 nan 0.000 0.506 156 Y N -1.437 118.794 120.300 -0.116 0.000 2.298 156 Y HA 0.551 5.101 4.550 -0.000 0.000 0.329 156 Y C 1.062 176.892 175.900 -0.116 0.000 1.293 156 Y CA -0.644 57.389 58.100 -0.111 0.000 1.388 156 Y CB 0.588 39.036 38.460 -0.020 0.000 1.309 156 Y HN 0.230 nan 8.280 nan 0.000 0.544 157 Y N 0.867 121.344 120.300 0.294 0.000 2.319 157 Y HA 0.266 4.816 4.550 -0.000 0.000 0.328 157 Y C -0.568 175.500 175.900 0.280 0.000 1.133 157 Y CA -0.246 57.989 58.100 0.225 0.000 1.265 157 Y CB 0.302 38.868 38.460 0.176 0.000 1.218 157 Y HN 0.446 nan 8.280 nan 0.000 0.508 158 Y N 3.640 124.070 120.300 0.216 0.000 2.479 158 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 158 Y C -2.732 173.232 175.900 0.105 0.000 1.055 158 Y CA -3.113 55.065 58.100 0.130 0.000 1.023 158 Y CB 1.951 40.453 38.460 0.071 0.000 1.287 158 Y HN 0.423 nan 8.280 nan 0.000 0.447 159 P HA 0.162 nan 4.420 nan 0.000 0.258 159 P C 0.420 177.766 177.300 0.077 0.000 1.187 159 P CA 2.195 65.237 63.100 -0.096 0.000 0.767 159 P CB 0.338 31.891 31.700 -0.245 0.000 0.770 160 G N 2.459 111.319 108.800 0.101 0.000 2.179 160 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 160 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 160 G C 0.255 175.242 174.900 0.144 0.000 0.977 160 G CA -0.016 45.153 45.100 0.115 0.000 0.641 160 G HN 0.655 nan 8.290 nan 0.000 0.533 161 K N 0.962 121.480 120.400 0.198 0.000 2.284 161 K HA 0.543 4.863 4.320 -0.000 0.000 0.287 161 K C 1.047 177.711 176.600 0.107 0.000 1.081 161 K CA 0.196 56.575 56.287 0.153 0.000 0.910 161 K CB 0.074 32.694 32.500 0.200 0.000 1.088 161 K HN 0.276 nan 8.250 nan 0.000 0.478 162 G N 2.771 111.609 108.800 0.065 0.000 2.642 162 G HA2 0.203 4.163 3.960 -0.000 0.000 0.291 162 G HA3 0.203 4.163 3.960 -0.000 0.000 0.291 162 G C 0.812 175.729 174.900 0.029 0.000 1.345 162 G CA -0.748 44.383 45.100 0.052 0.000 1.043 162 G HN 0.630 nan 8.290 nan 0.000 0.528 163 L N 0.196 121.433 121.223 0.024 0.000 2.042 163 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 163 L C 3.307 180.172 176.870 -0.009 0.000 1.076 163 L CA 1.930 56.774 54.840 0.007 0.000 0.749 163 L CB -0.495 41.570 42.059 0.009 0.000 0.893 163 L HN 0.651 nan 8.230 nan 0.000 0.432 164 S N -0.339 115.357 115.700 -0.007 0.000 2.370 164 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 164 S C 1.953 176.534 174.600 -0.032 0.000 1.033 164 S CA 1.351 59.540 58.200 -0.017 0.000 1.011 164 S CB -0.490 62.703 63.200 -0.012 0.000 0.852 164 S HN 0.337 nan 8.310 nan 0.000 0.457 165 M N 0.781 120.364 119.600 -0.028 0.000 2.229 165 M HA 0.111 4.591 4.480 -0.000 0.000 0.264 165 M C 2.347 178.606 176.300 -0.069 0.000 1.063 165 M CA 1.099 56.369 55.300 -0.050 0.000 1.114 165 M CB -0.415 32.163 32.600 -0.036 0.000 1.387 165 M HN 0.325 nan 8.290 nan 0.000 0.420 166 L N -0.107 121.086 121.223 -0.050 0.000 2.017 166 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 166 L C 2.564 179.388 176.870 -0.077 0.000 1.073 166 L CA 1.615 56.419 54.840 -0.061 0.000 0.745 166 L CB -0.272 41.761 42.059 -0.044 0.000 0.894 166 L HN 0.256 nan 8.230 nan 0.000 0.432 167 R N -0.635 119.828 120.500 -0.062 0.000 2.091 167 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 167 R C 2.193 178.440 176.300 -0.090 0.000 1.136 167 R CA 1.408 57.471 56.100 -0.063 0.000 0.959 167 R CB -0.673 29.601 30.300 -0.044 0.000 0.856 167 R HN 0.521 nan 8.270 nan 0.000 0.437 168 G N 0.361 109.102 108.800 -0.098 0.000 2.418 168 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 168 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 168 G C 1.218 175.997 174.900 -0.202 0.000 1.158 168 G CA 0.686 45.712 45.100 -0.124 0.000 0.771 168 G HN 0.405 nan 8.290 nan 0.000 0.545 169 E N -0.336 119.722 120.200 -0.237 0.000 2.058 169 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 169 E C 2.540 178.766 176.600 -0.624 0.000 0.997 169 E CA 1.086 57.240 56.400 -0.411 0.000 0.801 169 E CB -0.121 29.405 29.700 -0.291 0.000 0.746 169 E HN 0.257 nan 8.360 nan 0.000 0.450 170 M N 0.436 119.851 119.600 -0.309 0.000 2.117 170 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 170 M C 2.371 178.591 176.300 -0.133 0.000 1.065 170 M CA 1.270 56.479 55.300 -0.151 0.000 1.114 170 M CB -1.143 31.438 32.600 -0.032 0.000 1.361 170 M HN 0.026 nan 8.290 nan 0.000 0.408 171 R N 0.842 121.262 120.500 -0.134 0.000 2.096 171 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 171 R C 2.163 178.403 176.300 -0.100 0.000 1.127 171 R CA 1.953 58.004 56.100 -0.082 0.000 0.968 171 R CB -1.384 28.872 30.300 -0.073 0.000 0.861 171 R HN 0.407 nan 8.270 nan 0.000 0.440 172 G N -0.901 107.767 108.800 -0.219 0.000 2.442 172 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 172 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 172 G C 0.912 175.753 174.900 -0.098 0.000 1.141 172 G CA 0.980 45.950 45.100 -0.217 0.000 0.763 172 G HN 0.370 nan 8.290 nan 0.000 0.554 173 Y N -0.065 120.240 120.300 0.008 0.000 2.220 173 Y HA 0.130 4.680 4.550 -0.000 0.000 0.291 173 Y C 2.644 178.644 175.900 0.166 0.000 1.129 173 Y CA -0.040 58.105 58.100 0.074 0.000 1.161 173 Y CB -0.803 37.610 38.460 -0.078 0.000 0.997 173 Y HN 0.043 nan 8.280 nan 0.000 0.522 174 L N 0.166 121.517 121.223 0.213 0.000 2.083 174 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 174 L C 1.825 178.749 176.870 0.090 0.000 1.083 174 L CA 1.630 56.552 54.840 0.138 0.000 0.752 174 L CB -0.855 41.246 42.059 0.069 0.000 0.899 174 L HN 0.142 nan 8.230 nan 0.000 0.433 175 D N -0.484 119.955 120.400 0.065 0.000 2.218 175 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 175 D C 1.943 178.269 176.300 0.042 0.000 0.976 175 D CA 0.914 54.934 54.000 0.034 0.000 0.853 175 D CB -0.047 40.759 40.800 0.009 0.000 0.939 175 D HN 0.305 nan 8.370 nan 0.000 0.481 176 R N -0.714 119.845 120.500 0.098 0.000 2.356 176 R HA 0.229 4.569 4.340 -0.000 0.000 0.234 176 R C 1.092 177.344 176.300 -0.079 0.000 0.929 176 R CA 0.415 56.553 56.100 0.064 0.000 1.084 176 R CB 0.585 31.000 30.300 0.191 0.000 1.105 176 R HN 0.154 nan 8.270 nan 0.000 0.515 177 G N -0.281 108.483 108.800 -0.060 0.000 2.176 177 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.232 177 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.232 177 G C -0.222 174.563 174.900 -0.192 0.000 0.986 177 G CA -0.475 44.533 45.100 -0.153 0.000 0.643 177 G HN 0.244 nan 8.290 nan 0.000 0.522 178 Y N 1.391 121.679 120.300 -0.020 0.000 2.346 178 Y HA 0.382 4.932 4.550 -0.000 0.000 0.330 178 Y C 1.585 177.464 175.900 -0.036 0.000 1.178 178 Y CA 0.516 58.582 58.100 -0.056 0.000 1.331 178 Y CB 0.639 39.055 38.460 -0.074 0.000 1.253 178 Y HN 0.362 nan 8.280 nan 0.000 0.529 179 N N -0.462 118.305 118.700 0.111 0.000 2.197 179 N HA 0.296 5.036 4.740 -0.000 0.000 0.228 179 N C -1.418 174.068 175.510 -0.041 0.000 1.212 179 N CA -0.008 53.070 53.050 0.046 0.000 0.883 179 N CB 0.706 39.225 38.487 0.054 0.000 1.107 179 N HN 0.246 nan 8.380 nan 0.000 0.519 180 V N 1.552 121.426 119.914 -0.067 0.000 2.655 180 V HA 0.375 4.495 4.120 -0.000 0.000 0.301 180 V C -0.495 175.475 176.094 -0.206 0.000 1.082 180 V CA -0.866 61.273 62.300 -0.268 0.000 0.899 180 V CB 1.769 33.306 31.823 -0.475 0.000 1.014 180 V HN 0.162 nan 8.190 nan 0.000 0.429 181 V N 1.834 121.617 119.914 -0.219 0.000 2.914 181 V HA 0.820 4.940 4.120 -0.000 0.000 0.314 181 V C -0.721 175.249 176.094 -0.205 0.000 1.084 181 V CA -0.957 61.236 62.300 -0.179 0.000 0.963 181 V CB 2.096 33.883 31.823 -0.060 0.000 1.025 181 V HN 0.858 nan 8.190 nan 0.000 0.432 182 K N 3.321 123.630 120.400 -0.151 0.000 2.371 182 K HA 0.851 5.171 4.320 -0.000 0.000 0.251 182 K C -0.877 175.662 176.600 -0.102 0.000 0.934 182 K CA -0.892 55.316 56.287 -0.132 0.000 0.798 182 K CB 2.151 34.635 32.500 -0.027 0.000 1.204 182 K HN 1.056 nan 8.250 nan 0.000 0.427 183 M N 1.178 120.715 119.600 -0.105 0.000 2.593 183 M HA 0.671 5.151 4.480 -0.000 0.000 0.290 183 M C -1.171 175.026 176.300 -0.171 0.000 1.244 183 M CA -0.989 54.216 55.300 -0.159 0.000 0.857 183 M CB 2.051 34.573 32.600 -0.130 0.000 1.738 183 M HN 0.517 nan 8.290 nan 0.000 0.461 184 A N 2.617 125.255 122.820 -0.303 0.000 2.316 184 A HA 0.862 5.182 4.320 -0.000 0.000 0.284 184 A C -0.337 177.188 177.584 -0.097 0.000 1.115 184 A CA -0.726 51.184 52.037 -0.213 0.000 0.812 184 A CB 0.272 19.092 19.000 -0.299 0.000 1.064 184 A HN 0.989 nan 8.150 nan 0.000 0.489 185 I N -3.061 117.572 120.570 0.106 0.000 3.191 185 I HA 0.850 5.020 4.170 -0.000 0.000 0.313 185 I C 0.664 176.948 176.117 0.277 0.000 1.193 185 I CA -0.454 61.008 61.300 0.269 0.000 0.968 185 I CB 1.896 40.053 38.000 0.262 0.000 1.262 185 I HN 1.407 nan 8.210 nan 0.000 0.456 186 G N 1.264 110.281 108.800 0.362 0.000 2.176 186 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 186 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 186 G C 0.736 175.761 174.900 0.207 0.000 0.979 186 G CA 0.210 45.488 45.100 0.296 0.000 0.641 186 G HN 1.460 nan 8.290 nan 0.000 0.530 187 G N -0.608 108.277 108.800 0.142 0.000 3.337 187 G HA2 0.764 4.724 3.960 -0.000 0.000 0.246 187 G HA3 0.764 4.724 3.960 -0.000 0.000 0.246 187 G C 0.373 174.940 174.900 -0.555 0.000 1.131 187 G CA 1.562 46.408 45.100 -0.423 0.000 0.773 187 G HN 1.750 nan 8.290 nan 0.000 0.544 188 A N -0.438 122.321 122.820 -0.102 0.000 2.588 188 A HA 0.818 5.138 4.320 -0.000 0.000 0.290 188 A C -3.080 174.589 177.584 0.142 0.000 1.136 188 A CA -1.185 50.851 52.037 -0.001 0.000 0.681 188 A CB 0.556 19.605 19.000 0.081 0.000 1.282 188 A HN -0.013 nan 8.150 nan 0.000 0.421 189 P HA 0.167 nan 4.420 nan 0.000 0.267 189 P C 1.035 178.404 177.300 0.114 0.000 1.200 189 P CA -0.159 63.000 63.100 0.098 0.000 0.772 189 P CB 0.448 32.178 31.700 0.050 0.000 0.855 190 I N 1.866 122.458 120.570 0.037 0.000 2.248 190 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 190 I C 1.542 177.583 176.117 -0.127 0.000 1.107 190 I CA 1.747 62.926 61.300 -0.202 0.000 1.373 190 I CB 0.131 37.809 38.000 -0.537 0.000 1.055 190 I HN 0.340 nan 8.210 nan 0.000 0.418 191 E N 0.270 120.435 120.200 -0.058 0.000 2.274 191 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 191 E C 1.852 178.462 176.600 0.017 0.000 0.996 191 E CA 0.782 57.167 56.400 -0.025 0.000 0.840 191 E CB -0.073 29.618 29.700 -0.015 0.000 0.772 191 E HN 0.643 nan 8.360 nan 0.000 0.491 192 E N 0.653 120.882 120.200 0.048 0.000 2.112 192 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 192 E C 1.215 177.878 176.600 0.106 0.000 0.979 192 E CA 0.675 57.122 56.400 0.078 0.000 0.814 192 E CB 0.248 30.007 29.700 0.099 0.000 0.762 192 E HN 0.052 nan 8.360 nan 0.000 0.460 193 D N 0.351 120.837 120.400 0.145 0.000 2.144 193 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 193 D C 1.939 178.281 176.300 0.069 0.000 0.984 193 D CA 0.636 54.744 54.000 0.181 0.000 0.834 193 D CB -0.208 40.796 40.800 0.339 0.000 0.955 193 D HN 0.146 nan 8.370 nan 0.000 0.465 194 R N 0.160 120.672 120.500 0.020 0.000 2.091 194 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 194 R C 2.017 178.289 176.300 -0.046 0.000 1.136 194 R CA 1.081 57.161 56.100 -0.033 0.000 0.959 194 R CB -0.039 30.265 30.300 0.008 0.000 0.856 194 R HN 0.062 nan 8.270 nan 0.000 0.437 195 M N 0.361 119.961 119.600 -0.000 0.000 2.117 195 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 195 M C 2.170 178.463 176.300 -0.012 0.000 1.065 195 M CA 1.623 56.925 55.300 0.002 0.000 1.114 195 M CB -0.930 31.685 32.600 0.025 0.000 1.361 195 M HN 0.162 nan 8.290 nan 0.000 0.408 196 R N -0.019 120.484 120.500 0.004 0.000 2.081 196 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 196 R C 2.241 178.508 176.300 -0.055 0.000 1.131 196 R CA 1.184 57.279 56.100 -0.009 0.000 0.960 196 R CB -0.428 29.883 30.300 0.019 0.000 0.856 196 R HN 0.344 nan 8.270 nan 0.000 0.436 197 I N 0.856 121.371 120.570 -0.091 0.000 2.202 197 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 197 I C 2.058 178.054 176.117 -0.202 0.000 1.091 197 I CA 1.416 62.613 61.300 -0.170 0.000 1.368 197 I CB -0.292 37.540 38.000 -0.279 0.000 1.058 197 I HN 0.217 nan 8.210 nan 0.000 0.410 198 E N 1.086 121.166 120.200 -0.200 0.000 2.110 198 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 198 E C 2.352 178.919 176.600 -0.056 0.000 0.988 198 E CA 1.221 57.546 56.400 -0.125 0.000 0.804 198 E CB -0.182 29.489 29.700 -0.047 0.000 0.745 198 E HN 0.513 nan 8.360 nan 0.000 0.458 199 A N 1.221 124.014 122.820 -0.047 0.000 1.865 199 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 199 A C 2.559 180.123 177.584 -0.034 0.000 1.191 199 A CA 1.443 53.463 52.037 -0.028 0.000 0.623 199 A CB -0.811 18.175 19.000 -0.023 0.000 0.826 199 A HN 0.118 nan 8.150 nan 0.000 0.444 200 V N -0.388 119.497 119.914 -0.048 0.000 2.295 200 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 200 V C 2.496 178.569 176.094 -0.035 0.000 1.049 200 V CA 1.820 64.094 62.300 -0.044 0.000 1.024 200 V CB -0.818 30.973 31.823 -0.054 0.000 0.648 200 V HN 0.476 nan 8.190 nan 0.000 0.447 201 L N 0.119 121.316 121.223 -0.044 0.000 2.042 201 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 201 L C 2.490 179.361 176.870 0.002 0.000 1.076 201 L CA 2.195 57.024 54.840 -0.019 0.000 0.749 201 L CB -0.913 41.132 42.059 -0.022 0.000 0.893 201 L HN 0.499 nan 8.230 nan 0.000 0.432 202 E N -0.935 119.264 120.200 -0.000 0.000 2.072 202 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 202 E C 2.054 178.655 176.600 0.001 0.000 0.985 202 E CA 1.096 57.501 56.400 0.008 0.000 0.801 202 E CB 0.061 29.766 29.700 0.007 0.000 0.750 202 E HN 0.431 nan 8.360 nan 0.000 0.452 203 E N 1.088 121.283 120.200 -0.008 0.000 2.058 203 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 203 E C 2.098 178.694 176.600 -0.007 0.000 0.997 203 E CA 1.997 58.390 56.400 -0.012 0.000 0.801 203 E CB -0.460 29.227 29.700 -0.023 0.000 0.746 203 E HN 0.598 nan 8.360 nan 0.000 0.450 204 I N -2.954 117.613 120.570 -0.004 0.000 2.928 204 I HA 0.189 4.359 4.170 -0.000 0.000 0.266 204 I C 1.642 177.764 176.117 0.008 0.000 1.234 204 I CA 0.653 61.954 61.300 0.003 0.000 1.483 204 I CB -0.868 37.133 38.000 0.001 0.000 1.097 204 I HN 0.217 nan 8.210 nan 0.000 0.455 205 G N 2.872 111.678 108.800 0.011 0.000 2.672 205 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.324 205 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.324 205 G C 0.744 175.657 174.900 0.022 0.000 1.286 205 G CA 0.969 46.079 45.100 0.017 0.000 1.004 205 G HN 0.548 nan 8.290 nan 0.000 0.548 206 K N 1.013 121.425 120.400 0.020 0.000 2.387 206 K HA 0.160 4.480 4.320 -0.000 0.000 0.198 206 K C 0.978 177.590 176.600 0.020 0.000 1.022 206 K CA 0.463 56.764 56.287 0.023 0.000 1.128 206 K CB 0.347 32.860 32.500 0.022 0.000 0.853 206 K HN 0.398 nan 8.250 nan 0.000 0.523 207 D N 0.737 121.147 120.400 0.017 0.000 2.348 207 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 207 D C 0.287 176.596 176.300 0.015 0.000 0.998 207 D CA 0.376 54.386 54.000 0.017 0.000 0.873 207 D CB 0.648 41.458 40.800 0.016 0.000 0.925 207 D HN 0.168 nan 8.370 nan 0.000 0.524 208 A N 0.035 122.860 122.820 0.008 0.000 2.601 208 A HA 0.503 4.823 4.320 -0.000 0.000 0.291 208 A C -1.309 176.259 177.584 -0.027 0.000 1.075 208 A CA -0.728 51.301 52.037 -0.013 0.000 0.671 208 A CB 1.537 20.534 19.000 -0.006 0.000 1.277 208 A HN -0.104 nan 8.150 nan 0.000 0.417 209 Q N -0.305 119.445 119.800 -0.083 0.000 2.257 209 Q HA 0.633 4.973 4.340 -0.000 0.000 0.262 209 Q C -1.343 174.588 176.000 -0.114 0.000 0.997 209 Q CA -0.869 54.897 55.803 -0.062 0.000 0.873 209 Q CB 2.512 31.225 28.738 -0.041 0.000 1.312 209 Q HN 0.639 nan 8.270 nan 0.000 0.450 210 L N 1.251 122.450 121.223 -0.040 0.000 2.307 210 L HA 0.759 5.099 4.340 -0.000 0.000 0.284 210 L C -1.414 175.409 176.870 -0.079 0.000 1.023 210 L CA -0.194 54.600 54.840 -0.077 0.000 0.810 210 L CB 1.476 43.510 42.059 -0.042 0.000 1.231 210 L HN 0.704 nan 8.230 nan 0.000 0.423 211 A N 4.681 127.369 122.820 -0.221 0.000 2.355 211 A HA 0.809 5.129 4.320 -0.000 0.000 0.324 211 A C -1.000 176.510 177.584 -0.123 0.000 1.117 211 A CA -0.253 51.587 52.037 -0.329 0.000 0.785 211 A CB 1.573 19.928 19.000 -1.075 0.000 1.254 211 A HN 1.086 nan 8.150 nan 0.000 0.453 212 V N -0.695 119.260 119.914 0.067 0.000 2.769 212 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 212 V C -1.124 175.132 176.094 0.270 0.000 1.061 212 V CA -0.761 61.620 62.300 0.135 0.000 0.931 212 V CB 1.969 33.871 31.823 0.133 0.000 1.010 212 V HN 0.789 nan 8.190 nan 0.000 0.433 213 D N 2.484 122.992 120.400 0.179 0.000 2.593 213 D HA 0.700 5.340 4.640 -0.000 0.000 0.251 213 D C 0.392 176.729 176.300 0.063 0.000 1.140 213 D CA 0.026 54.127 54.000 0.169 0.000 0.855 213 D CB 2.281 43.173 40.800 0.153 0.000 1.267 213 D HN 0.855 nan 8.370 nan 0.000 0.532 214 A N 3.601 126.402 122.820 -0.033 0.000 2.238 214 A HA 0.097 4.417 4.320 -0.000 0.000 0.210 214 A C 0.934 178.352 177.584 -0.277 0.000 1.179 214 A CA -0.051 51.783 52.037 -0.338 0.000 0.827 214 A CB -0.227 18.288 19.000 -0.809 0.000 0.856 214 A HN 0.747 nan 8.150 nan 0.000 0.488 215 N N -0.995 117.651 118.700 -0.088 0.000 2.721 215 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 215 N C 0.851 176.345 175.510 -0.028 0.000 1.072 215 N CA 1.249 54.295 53.050 -0.006 0.000 0.710 215 N CB -1.533 37.025 38.487 0.118 0.000 0.993 215 N HN 1.317 nan 8.380 nan 0.000 0.547 216 G N -0.208 108.521 108.800 -0.118 0.000 2.203 216 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.263 216 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.263 216 G C 0.918 175.863 174.900 0.076 0.000 1.012 216 G CA 1.143 46.200 45.100 -0.071 0.000 0.749 216 G HN 0.571 nan 8.290 nan 0.000 0.512 217 R N -0.707 119.768 120.500 -0.041 0.000 2.161 217 R HA 0.275 4.615 4.340 -0.000 0.000 0.213 217 R C 1.010 177.361 176.300 0.084 0.000 1.055 217 R CA 0.288 56.395 56.100 0.012 0.000 0.996 217 R CB -0.214 30.027 30.300 -0.098 0.000 0.901 217 R HN 0.260 nan 8.270 nan 0.000 0.456 218 F N 1.839 121.791 119.950 0.004 0.000 2.471 218 F HA 0.186 4.712 4.527 -0.000 0.000 0.353 218 F C 0.793 176.594 175.800 0.002 0.000 1.113 218 F CA -1.570 56.422 58.000 -0.013 0.000 1.262 218 F CB -0.166 38.817 39.000 -0.029 0.000 1.146 218 F HN 0.124 nan 8.300 nan 0.000 0.578 219 N N 1.755 120.580 118.700 0.208 0.000 2.405 219 N HA 0.188 4.928 4.740 -0.000 0.000 0.269 219 N C 0.830 176.394 175.510 0.090 0.000 1.249 219 N CA -0.674 52.441 53.050 0.108 0.000 0.974 219 N CB 0.062 38.588 38.487 0.064 0.000 1.204 219 N HN 0.461 nan 8.380 nan 0.000 0.565 220 L N -0.178 121.077 121.223 0.052 0.000 1.989 220 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 220 L C 1.893 178.756 176.870 -0.011 0.000 1.071 220 L CA 1.920 56.779 54.840 0.032 0.000 0.749 220 L CB -0.934 41.141 42.059 0.026 0.000 0.890 220 L HN 0.674 nan 8.230 nan 0.000 0.431 221 E N -1.324 118.861 120.200 -0.024 0.000 2.077 221 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 221 E C 1.943 178.500 176.600 -0.071 0.000 0.989 221 E CA 1.767 58.130 56.400 -0.062 0.000 0.800 221 E CB -0.219 29.456 29.700 -0.043 0.000 0.746 221 E HN 0.566 nan 8.360 nan 0.000 0.452 222 T N 0.145 114.664 114.554 -0.059 0.000 2.821 222 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 222 T C 1.885 176.470 174.700 -0.192 0.000 1.046 222 T CA 1.102 63.114 62.100 -0.147 0.000 1.139 222 T CB -0.453 68.294 68.868 -0.202 0.000 0.871 222 T HN 0.351 nan 8.240 nan 0.000 0.454 223 G N 1.401 110.187 108.800 -0.022 0.000 2.440 223 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 223 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 223 G C 1.513 176.506 174.900 0.155 0.000 1.154 223 G CA 0.501 45.702 45.100 0.168 0.000 0.767 223 G HN 0.488 nan 8.290 nan 0.000 0.552 224 I N 1.215 121.779 120.570 -0.009 0.000 2.315 224 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 224 I C 3.285 179.368 176.117 -0.057 0.000 1.117 224 I CA 0.799 62.018 61.300 -0.135 0.000 1.404 224 I CB -0.223 37.484 38.000 -0.489 0.000 1.071 224 I HN 0.247 nan 8.210 nan 0.000 0.419 225 A N 0.384 123.168 122.820 -0.060 0.000 1.883 225 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 225 A C 2.185 179.744 177.584 -0.043 0.000 1.186 225 A CA 1.621 53.619 52.037 -0.064 0.000 0.624 225 A CB -1.109 17.835 19.000 -0.094 0.000 0.822 225 A HN 0.400 nan 8.150 nan 0.000 0.444 226 Y N -0.187 120.040 120.300 -0.121 0.000 2.242 226 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 226 Y C 2.877 178.757 175.900 -0.032 0.000 1.137 226 Y CA 0.980 59.032 58.100 -0.080 0.000 1.181 226 Y CB -0.236 38.177 38.460 -0.078 0.000 0.989 226 Y HN 0.361 nan 8.280 nan 0.000 0.527 227 A N 0.304 123.258 122.820 0.224 0.000 1.883 227 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 227 A C 2.131 179.896 177.584 0.302 0.000 1.186 227 A CA 1.959 54.170 52.037 0.290 0.000 0.624 227 A CB -0.497 18.776 19.000 0.454 0.000 0.822 227 A HN 0.403 nan 8.150 nan 0.000 0.444 228 K N -1.148 119.368 120.400 0.192 0.000 2.097 228 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 228 K C 2.161 178.819 176.600 0.096 0.000 1.049 228 K CA 1.411 57.785 56.287 0.146 0.000 0.933 228 K CB -0.232 32.321 32.500 0.088 0.000 0.717 228 K HN 0.535 nan 8.250 nan 0.000 0.442 229 M N 0.660 120.296 119.600 0.060 0.000 2.123 229 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 229 M C 1.772 178.183 176.300 0.185 0.000 1.069 229 M CA 1.491 56.828 55.300 0.062 0.000 1.133 229 M CB -0.185 32.388 32.600 -0.046 0.000 1.356 229 M HN 0.053 nan 8.290 nan 0.000 0.415 230 L N 1.289 122.627 121.223 0.193 0.000 2.046 230 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 230 L C 2.651 179.742 176.870 0.368 0.000 1.077 230 L CA 1.891 56.906 54.840 0.292 0.000 0.747 230 L CB -1.192 40.896 42.059 0.048 0.000 0.896 230 L HN 0.441 nan 8.230 nan 0.000 0.432 231 R N -0.959 119.738 120.500 0.329 0.000 2.303 231 R HA -0.137 4.203 4.340 -0.000 0.000 0.225 231 R C 0.882 177.185 176.300 0.004 0.000 1.114 231 R CA 1.380 57.551 56.100 0.118 0.000 1.007 231 R CB -0.663 29.659 30.300 0.037 0.000 0.861 231 R HN 0.306 nan 8.270 nan 0.000 0.471 232 D N -0.153 120.211 120.400 -0.061 0.000 2.355 232 D HA 0.001 4.641 4.640 -0.000 0.000 0.218 232 D C -0.333 175.717 176.300 -0.415 0.000 1.004 232 D CA 0.753 54.587 54.000 -0.276 0.000 0.880 232 D CB 0.070 40.614 40.800 -0.427 0.000 0.911 232 D HN 0.225 nan 8.370 nan 0.000 0.528 233 Y N 0.112 120.440 120.300 0.046 0.000 2.487 233 Y HA 0.312 4.862 4.550 -0.000 0.000 0.337 233 Y C -1.678 174.258 175.900 0.059 0.000 1.076 233 Y CA -2.568 55.562 58.100 0.049 0.000 1.115 233 Y CB 1.058 39.552 38.460 0.056 0.000 1.235 233 Y HN -0.225 nan 8.280 nan 0.000 0.468 234 P HA 0.077 nan 4.420 nan 0.000 0.218 234 P C -0.789 176.620 177.300 0.181 0.000 1.793 234 P CA 0.053 63.245 63.100 0.153 0.000 0.941 234 P CB -0.283 31.489 31.700 0.120 0.000 1.919 235 L N 0.363 121.716 121.223 0.216 0.000 2.461 235 L HA 0.114 4.454 4.340 -0.000 0.000 0.272 235 L C 1.788 178.816 176.870 0.263 0.000 1.197 235 L CA 0.017 54.993 54.840 0.227 0.000 0.836 235 L CB -0.844 41.376 42.059 0.269 0.000 1.105 235 L HN 0.048 nan 8.230 nan 0.000 0.477 236 F N 2.179 122.156 119.950 0.045 0.000 2.163 236 F HA -0.000 4.527 4.527 -0.000 0.000 0.297 236 F C 0.257 176.231 175.800 0.290 0.000 1.094 236 F CA 0.809 58.833 58.000 0.041 0.000 1.290 236 F CB 0.252 39.106 39.000 -0.242 0.000 1.017 236 F HN 0.567 nan 8.300 nan 0.000 0.483 237 W N -1.840 119.609 121.300 0.247 0.000 3.057 237 W HA 0.365 5.025 4.660 -0.000 0.000 0.328 237 W C -2.450 174.254 176.519 0.309 0.000 1.232 237 W CA -2.213 55.286 57.345 0.257 0.000 1.187 237 W CB -0.415 29.174 29.460 0.215 0.000 1.417 237 W HN -0.137 nan 8.180 nan 0.000 0.569 238 Y N 3.093 123.722 120.300 0.549 0.000 2.356 238 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 238 Y C -0.438 175.585 175.900 0.205 0.000 0.958 238 Y CA -2.052 56.200 58.100 0.254 0.000 1.196 238 Y CB 0.958 39.300 38.460 -0.196 0.000 1.137 238 Y HN 0.671 nan 8.280 nan 0.000 0.485 239 E N 4.198 124.633 120.200 0.393 0.000 2.231 239 E HA 0.203 4.553 4.350 -0.000 0.000 0.277 239 E C -0.537 176.020 176.600 -0.071 0.000 0.999 239 E CA -0.555 55.892 56.400 0.078 0.000 0.827 239 E CB 0.779 30.613 29.700 0.224 0.000 1.101 239 E HN 0.744 nan 8.360 nan 0.000 0.393 240 E N 2.629 122.740 120.200 -0.149 0.000 2.173 240 E HA -0.238 4.112 4.350 -0.000 0.000 0.160 240 E C 0.294 176.757 176.600 -0.228 0.000 1.581 240 E CA 0.096 56.397 56.400 -0.165 0.000 0.618 240 E CB -0.593 29.040 29.700 -0.111 0.000 1.049 240 E HN 0.489 nan 8.360 nan 0.000 0.311 241 V N 1.497 121.218 119.914 -0.321 0.000 2.261 241 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 241 V C 1.487 177.489 176.094 -0.153 0.000 1.047 241 V CA 2.170 64.276 62.300 -0.324 0.000 1.015 241 V CB -0.381 31.198 31.823 -0.407 0.000 0.642 241 V HN 0.596 nan 8.190 nan 0.000 0.446 242 G N -1.518 107.228 108.800 -0.090 0.000 3.013 242 G HA2 0.344 4.304 3.960 -0.000 0.000 0.278 242 G HA3 0.344 4.304 3.960 -0.000 0.000 0.278 242 G C -1.239 173.634 174.900 -0.044 0.000 1.353 242 G CA -0.363 44.725 45.100 -0.020 0.000 1.043 242 G HN 0.173 nan 8.290 nan 0.000 0.523 243 D N 0.685 121.077 120.400 -0.014 0.000 2.583 243 D HA -0.029 4.611 4.640 -0.000 0.000 0.232 243 D C -0.733 175.499 176.300 -0.114 0.000 1.128 243 D CA -0.809 53.166 54.000 -0.042 0.000 0.859 243 D CB 1.584 42.369 40.800 -0.026 0.000 1.169 243 D HN 0.023 nan 8.370 nan 0.000 0.481 244 P HA -0.140 nan 4.420 nan 0.000 0.220 244 P C 1.358 178.518 177.300 -0.233 0.000 1.144 244 P CA 0.910 63.917 63.100 -0.154 0.000 0.800 244 P CB 0.255 31.854 31.700 -0.168 0.000 0.772 245 L N -1.085 119.946 121.223 -0.319 0.000 2.640 245 L HA 0.208 4.548 4.340 -0.000 0.000 0.230 245 L C 1.074 177.469 176.870 -0.791 0.000 1.123 245 L CA 0.030 54.504 54.840 -0.611 0.000 0.900 245 L CB -0.245 41.617 42.059 -0.327 0.000 1.146 245 L HN -0.169 nan 8.230 nan 0.000 0.484 246 D N -0.412 119.731 120.400 -0.429 0.000 2.558 246 D HA -0.004 4.636 4.640 -0.000 0.000 0.221 246 D C 0.905 177.110 176.300 -0.158 0.000 1.143 246 D CA -0.208 53.639 54.000 -0.255 0.000 1.010 246 D CB 0.333 41.070 40.800 -0.104 0.000 1.068 246 D HN 0.081 nan 8.370 nan 0.000 0.511 247 Y N 1.420 121.741 120.300 0.035 0.000 2.224 247 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 247 Y C 2.466 178.408 175.900 0.069 0.000 1.146 247 Y CA 0.984 59.123 58.100 0.064 0.000 1.182 247 Y CB -0.838 37.701 38.460 0.131 0.000 0.983 247 Y HN 0.429 nan 8.280 nan 0.000 0.524 248 A N 0.088 123.019 122.820 0.185 0.000 1.933 248 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 248 A C 2.338 179.989 177.584 0.112 0.000 1.175 248 A CA 1.522 53.639 52.037 0.134 0.000 0.628 248 A CB -1.077 17.973 19.000 0.084 0.000 0.814 248 A HN 0.535 nan 8.150 nan 0.000 0.444 249 L N -0.930 120.342 121.223 0.082 0.000 2.017 249 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 249 L C 2.702 179.626 176.870 0.090 0.000 1.073 249 L CA 2.361 57.245 54.840 0.074 0.000 0.745 249 L CB -0.313 41.772 42.059 0.043 0.000 0.894 249 L HN 0.497 nan 8.230 nan 0.000 0.432 250 Q N 0.258 120.112 119.800 0.089 0.000 2.061 250 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 250 Q C 2.083 178.154 176.000 0.118 0.000 0.984 250 Q CA 2.373 58.227 55.803 0.086 0.000 0.846 250 Q CB -0.461 28.334 28.738 0.096 0.000 0.902 250 Q HN 0.601 nan 8.270 nan 0.000 0.421 251 A N 0.340 123.243 122.820 0.138 0.000 1.908 251 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 251 A C 2.296 179.966 177.584 0.143 0.000 1.181 251 A CA 2.035 54.154 52.037 0.136 0.000 0.627 251 A CB -1.234 17.851 19.000 0.142 0.000 0.818 251 A HN 0.555 nan 8.150 nan 0.000 0.445 252 A N -1.128 121.786 122.820 0.157 0.000 2.067 252 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 252 A C 1.892 179.656 177.584 0.299 0.000 1.158 252 A CA 1.435 53.595 52.037 0.205 0.000 0.661 252 A CB -0.408 18.710 19.000 0.197 0.000 0.801 252 A HN 0.387 nan 8.150 nan 0.000 0.452 253 L N -0.640 120.739 121.223 0.259 0.000 2.201 253 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 253 L C 2.843 179.918 176.870 0.341 0.000 1.105 253 L CA 1.425 56.465 54.840 0.335 0.000 0.775 253 L CB -0.888 41.295 42.059 0.208 0.000 0.913 253 L HN 0.395 nan 8.230 nan 0.000 0.440 254 A N -0.884 122.069 122.820 0.221 0.000 1.986 254 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 254 A C 2.341 179.980 177.584 0.092 0.000 1.171 254 A CA 1.864 53.998 52.037 0.161 0.000 0.640 254 A CB -0.539 18.521 19.000 0.101 0.000 0.811 254 A HN 0.530 nan 8.150 nan 0.000 0.451 255 E N -1.609 118.605 120.200 0.023 0.000 2.204 255 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 255 E C 0.944 177.269 176.600 -0.459 0.000 0.989 255 E CA 1.032 57.266 56.400 -0.277 0.000 0.824 255 E CB -0.072 29.328 29.700 -0.501 0.000 0.756 255 E HN 0.714 nan 8.360 nan 0.000 0.477 256 F N -1.632 118.407 119.950 0.148 0.000 2.724 256 F HA 0.187 4.714 4.527 -0.000 0.000 0.306 256 F C 0.099 176.051 175.800 0.254 0.000 1.100 256 F CA -0.277 57.828 58.000 0.174 0.000 1.255 256 F CB 0.642 39.754 39.000 0.186 0.000 1.072 256 F HN -0.090 nan 8.300 nan 0.000 0.589 257 Y N 3.216 123.675 120.300 0.266 0.000 2.594 257 Y HA 0.361 4.911 4.550 -0.000 0.000 0.338 257 Y C -1.979 174.016 175.900 0.158 0.000 1.019 257 Y CA -2.881 55.362 58.100 0.240 0.000 1.306 257 Y CB 1.129 39.800 38.460 0.352 0.000 1.094 257 Y HN -0.204 nan 8.280 nan 0.000 0.534 258 P HA 0.018 nan 4.420 nan 0.000 0.222 258 P C 0.820 178.046 177.300 -0.124 0.000 1.153 258 P CA 0.685 63.734 63.100 -0.085 0.000 0.798 258 P CB 0.419 32.060 31.700 -0.099 0.000 0.796 259 G N 2.345 110.925 108.800 -0.367 0.000 2.664 259 G HA2 0.225 4.185 3.960 -0.000 0.000 0.242 259 G HA3 0.225 4.185 3.960 -0.000 0.000 0.242 259 G C -2.321 172.671 174.900 0.152 0.000 1.225 259 G CA -0.824 44.154 45.100 -0.204 0.000 0.849 259 G HN 0.121 nan 8.290 nan 0.000 0.581 260 P HA 0.072 nan 4.420 nan 0.000 0.268 260 P C -0.404 177.150 177.300 0.423 0.000 1.205 260 P CA 0.533 63.768 63.100 0.225 0.000 0.771 260 P CB 0.821 32.607 31.700 0.142 0.000 0.858 261 M N 1.470 121.231 119.600 0.268 0.000 2.690 261 M HA 0.722 5.202 4.480 -0.000 0.000 0.302 261 M C -0.454 175.860 176.300 0.022 0.000 1.234 261 M CA -0.839 54.578 55.300 0.195 0.000 0.853 261 M CB 2.788 35.459 32.600 0.118 0.000 1.748 261 M HN 0.364 nan 8.290 nan 0.000 0.469 262 A N 0.656 123.387 122.820 -0.149 0.000 2.572 262 A HA 0.925 5.245 4.320 -0.000 0.000 0.295 262 A C -0.880 176.539 177.584 -0.275 0.000 1.072 262 A CA -0.540 51.307 52.037 -0.318 0.000 0.691 262 A CB 2.303 20.778 19.000 -0.875 0.000 1.291 262 A HN 0.765 nan 8.150 nan 0.000 0.404 263 T N -1.302 113.087 114.554 -0.276 0.000 2.677 263 T HA 0.599 4.949 4.350 -0.000 0.000 0.305 263 T C 0.506 175.014 174.700 -0.321 0.000 1.569 263 T CA 0.932 62.891 62.100 -0.236 0.000 0.984 263 T CB 0.687 69.456 68.868 -0.165 0.000 1.629 263 T HN 2.610 nan 8.240 nan 0.000 0.494 264 G N 1.020 109.663 108.800 -0.262 0.000 2.284 264 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.201 264 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.201 264 G C 0.833 175.616 174.900 -0.196 0.000 0.998 264 G CA 1.266 46.177 45.100 -0.314 0.000 0.651 264 G HN 1.067 nan 8.290 nan 0.000 0.489 265 E N 0.520 120.608 120.200 -0.187 0.000 2.160 265 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 265 E C 1.264 177.687 176.600 -0.295 0.000 0.991 265 E CA 1.301 57.593 56.400 -0.180 0.000 0.810 265 E CB -0.267 29.268 29.700 -0.275 0.000 0.742 265 E HN 0.421 nan 8.360 nan 0.000 0.466 266 N N 0.615 119.084 118.700 -0.386 0.000 2.295 266 N HA 0.195 4.935 4.740 -0.000 0.000 0.221 266 N C -0.695 174.164 175.510 -1.086 0.000 1.129 266 N CA 0.199 52.844 53.050 -0.675 0.000 0.836 266 N CB 0.577 38.885 38.487 -0.298 0.000 1.040 266 N HN 0.217 nan 8.380 nan 0.000 0.494 267 L N 0.523 121.238 121.223 -0.847 0.000 2.305 267 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 267 L C -0.270 176.275 176.870 -0.542 0.000 1.013 267 L CA -0.577 53.959 54.840 -0.507 0.000 0.819 267 L CB 0.832 42.876 42.059 -0.024 0.000 1.227 267 L HN -0.071 nan 8.230 nan 0.000 0.417 268 F N 0.754 120.769 119.950 0.110 0.000 2.772 268 F HA 0.235 4.762 4.527 -0.000 0.000 0.302 268 F C 0.797 176.673 175.800 0.126 0.000 1.136 268 F CA -0.481 57.580 58.000 0.102 0.000 1.322 268 F CB 0.368 39.404 39.000 0.059 0.000 0.967 268 F HN 0.412 nan 8.300 nan 0.000 0.513 269 S N -2.534 113.221 115.700 0.092 0.000 2.596 269 S HA 0.270 4.740 4.470 -0.000 0.000 0.270 269 S C 0.333 174.801 174.600 -0.220 0.000 1.155 269 S CA -0.588 57.566 58.200 -0.077 0.000 0.827 269 S CB 0.928 63.829 63.200 -0.498 0.000 1.130 269 S HN 0.348 nan 8.310 nan 0.000 0.467 270 H N 0.359 119.278 119.070 -0.250 0.000 2.457 270 H HA 0.100 4.656 4.556 -0.000 0.000 0.294 270 H C 1.579 176.757 175.328 -0.249 0.000 1.064 270 H CA 1.703 57.563 56.048 -0.312 0.000 1.330 270 H CB -0.352 29.252 29.762 -0.263 0.000 1.395 270 H HN 0.556 nan 8.280 nan 0.000 0.541 271 Q N 0.857 120.182 119.800 -0.791 0.000 2.050 271 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 271 Q C 1.812 177.687 176.000 -0.208 0.000 0.980 271 Q CA 1.765 57.294 55.803 -0.457 0.000 0.840 271 Q CB 0.002 28.549 28.738 -0.318 0.000 0.898 271 Q HN 0.602 nan 8.270 nan 0.000 0.424 272 D N -0.173 120.140 120.400 -0.144 0.000 2.144 272 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 272 D C 1.711 177.940 176.300 -0.118 0.000 0.978 272 D CA 1.291 55.276 54.000 -0.026 0.000 0.833 272 D CB -0.039 40.785 40.800 0.039 0.000 0.961 272 D HN 0.288 nan 8.370 nan 0.000 0.470 273 A N 1.253 123.893 122.820 -0.300 0.000 1.898 273 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 273 A C 2.188 179.537 177.584 -0.391 0.000 1.181 273 A CA 1.364 53.133 52.037 -0.447 0.000 0.620 273 A CB -0.492 17.876 19.000 -1.054 0.000 0.819 273 A HN 0.099 nan 8.150 nan 0.000 0.442 274 R N -0.176 120.107 120.500 -0.362 0.000 2.091 274 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 274 R C 1.686 177.699 176.300 -0.479 0.000 1.136 274 R CA 1.800 57.660 56.100 -0.400 0.000 0.959 274 R CB -0.283 29.888 30.300 -0.215 0.000 0.856 274 R HN 0.512 nan 8.270 nan 0.000 0.437 275 N N 0.767 119.248 118.700 -0.365 0.000 2.244 275 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 275 N C 1.638 176.602 175.510 -0.910 0.000 1.016 275 N CA 0.893 53.669 53.050 -0.457 0.000 0.866 275 N CB -0.284 38.142 38.487 -0.101 0.000 0.980 275 N HN 0.198 nan 8.380 nan 0.000 0.430 276 L N 1.103 121.867 121.223 -0.766 0.000 2.046 276 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 276 L C 1.917 178.492 176.870 -0.493 0.000 1.077 276 L CA 1.369 55.825 54.840 -0.640 0.000 0.747 276 L CB -0.535 41.423 42.059 -0.168 0.000 0.896 276 L HN 0.091 nan 8.230 nan 0.000 0.432 277 L N -1.075 119.823 121.223 -0.541 0.000 2.141 277 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 277 L C 2.738 179.349 176.870 -0.432 0.000 1.094 277 L CA 1.021 55.548 54.840 -0.523 0.000 0.763 277 L CB -0.486 41.105 42.059 -0.778 0.000 0.908 277 L HN 0.259 nan 8.230 nan 0.000 0.437 278 R N -0.830 119.279 120.500 -0.652 0.000 2.073 278 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 278 R C 1.544 177.428 176.300 -0.693 0.000 1.120 278 R CA 1.425 57.086 56.100 -0.731 0.000 0.967 278 R CB -0.001 29.554 30.300 -1.241 0.000 0.862 278 R HN 0.314 nan 8.270 nan 0.000 0.436 279 Y N -2.331 117.846 120.300 -0.206 0.000 2.453 279 Y HA 0.343 4.893 4.550 -0.000 0.000 0.247 279 Y C 1.916 177.807 175.900 -0.016 0.000 1.124 279 Y CA -0.171 57.875 58.100 -0.090 0.000 1.243 279 Y CB -0.022 38.409 38.460 -0.048 0.000 1.213 279 Y HN 0.035 nan 8.280 nan 0.000 0.523 280 G N 0.210 109.015 108.800 0.007 0.000 2.484 280 G HA2 0.152 4.112 3.960 -0.000 0.000 0.218 280 G HA3 0.152 4.112 3.960 -0.000 0.000 0.218 280 G C 1.601 176.571 174.900 0.117 0.000 1.130 280 G CA 0.486 45.651 45.100 0.109 0.000 0.784 280 G HN 0.571 nan 8.290 nan 0.000 0.543 281 G N -0.107 108.753 108.800 0.100 0.000 2.273 281 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.280 281 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.280 281 G C 0.343 175.318 174.900 0.125 0.000 1.047 281 G CA 0.513 45.680 45.100 0.111 0.000 0.869 281 G HN 0.452 nan 8.290 nan 0.000 0.502 282 M N -0.942 118.762 119.600 0.174 0.000 2.288 282 M HA 0.483 4.963 4.480 -0.000 0.000 0.334 282 M C 0.744 177.169 176.300 0.207 0.000 1.150 282 M CA -0.474 54.958 55.300 0.221 0.000 1.118 282 M CB 0.855 33.628 32.600 0.289 0.000 1.501 282 M HN 0.056 nan 8.290 nan 0.000 0.462 283 R N 2.744 123.287 120.500 0.072 0.000 2.220 283 R HA 0.204 4.544 4.340 -0.000 0.000 0.340 283 R C -1.743 174.313 176.300 -0.408 0.000 1.076 283 R CA -1.625 54.400 56.100 -0.125 0.000 0.920 283 R CB -0.310 29.928 30.300 -0.104 0.000 1.062 283 R HN 0.365 nan 8.270 nan 0.000 0.469 284 P HA -0.176 nan 4.420 nan 0.000 0.229 284 P C -0.130 176.652 177.300 -0.864 0.000 1.150 284 P CA 1.078 63.166 63.100 -1.685 0.000 0.765 284 P CB 0.408 30.992 31.700 -1.860 0.000 0.783 285 D N 0.025 120.102 120.400 -0.538 0.000 2.366 285 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 285 D C 1.615 177.695 176.300 -0.366 0.000 1.022 285 D CA 0.441 54.213 54.000 -0.379 0.000 0.868 285 D CB -0.244 40.395 40.800 -0.268 0.000 0.953 285 D HN 0.339 nan 8.370 nan 0.000 0.514 286 R N -1.037 119.225 120.500 -0.397 0.000 2.591 286 R HA 0.238 4.578 4.340 -0.000 0.000 0.288 286 R C -0.445 175.501 176.300 -0.590 0.000 0.947 286 R CA -0.497 55.344 56.100 -0.431 0.000 1.085 286 R CB 0.117 30.272 30.300 -0.242 0.000 1.618 286 R HN -0.162 nan 8.270 nan 0.000 0.524 287 D N 0.858 120.996 120.400 -0.437 0.000 2.387 287 D HA 0.222 4.862 4.640 -0.000 0.000 0.251 287 D C -0.826 175.172 176.300 -0.503 0.000 1.141 287 D CA 0.182 53.982 54.000 -0.333 0.000 0.987 287 D CB 0.662 41.471 40.800 0.015 0.000 1.116 287 D HN 0.058 nan 8.370 nan 0.000 0.491 288 W N 0.091 121.336 121.300 -0.091 0.000 2.702 288 W HA 0.494 5.154 4.660 -0.000 0.000 0.331 288 W C -0.588 175.745 176.519 -0.309 0.000 1.049 288 W CA -0.766 56.464 57.345 -0.192 0.000 1.230 288 W CB 0.953 30.152 29.460 -0.435 0.000 1.408 288 W HN -0.082 nan 8.180 nan 0.000 0.492 289 L N 2.885 124.065 121.223 -0.072 0.000 2.287 289 L HA 0.365 4.705 4.340 -0.000 0.000 0.287 289 L C 0.440 177.040 176.870 -0.450 0.000 1.022 289 L CA -0.615 53.936 54.840 -0.482 0.000 0.814 289 L CB 1.260 42.974 42.059 -0.575 0.000 1.217 289 L HN 0.542 nan 8.230 nan 0.000 0.420 290 Q N 2.799 122.257 119.800 -0.570 0.000 2.225 290 Q HA 0.265 4.605 4.340 -0.000 0.000 0.259 290 Q C -0.798 175.126 176.000 -0.128 0.000 0.872 290 Q CA -0.469 55.184 55.803 -0.250 0.000 1.042 290 Q CB 0.243 28.899 28.738 -0.136 0.000 1.142 290 Q HN 0.420 nan 8.270 nan 0.000 0.463 291 F N 1.478 121.493 119.950 0.107 0.000 2.629 291 F HA -0.034 4.493 4.527 -0.000 0.000 0.369 291 F C 0.908 176.883 175.800 0.291 0.000 1.125 291 F CA -0.206 57.889 58.000 0.159 0.000 1.330 291 F CB 0.223 39.307 39.000 0.140 0.000 1.071 291 F HN 0.000 nan 8.300 nan 0.000 0.595 292 D N 2.302 122.983 120.400 0.469 0.000 2.440 292 D HA 0.169 4.809 4.640 -0.000 0.000 0.239 292 D C 0.813 177.347 176.300 0.391 0.000 1.084 292 D CA -0.616 53.630 54.000 0.409 0.000 0.843 292 D CB 1.141 42.222 40.800 0.468 0.000 1.097 292 D HN 0.673 nan 8.370 nan 0.000 0.531 293 C N 3.197 122.666 119.300 0.282 0.000 2.411 293 C HA 0.018 4.478 4.460 -0.000 0.000 0.279 293 C C 2.434 177.531 174.990 0.178 0.000 1.288 293 C CA 0.900 60.056 59.018 0.230 0.000 1.764 293 C CB -1.285 26.457 27.740 0.004 0.000 1.974 293 C HN 0.603 nan 8.230 nan 0.000 0.498 294 A N 0.815 123.723 122.820 0.147 0.000 2.070 294 A HA 0.159 4.479 4.320 -0.000 0.000 0.220 294 A C 2.143 179.733 177.584 0.010 0.000 1.159 294 A CA 1.583 53.614 52.037 -0.009 0.000 0.656 294 A CB -0.516 18.344 19.000 -0.233 0.000 0.800 294 A HN 0.760 nan 8.150 nan 0.000 0.453 295 L N -1.166 120.119 121.223 0.103 0.000 2.693 295 L HA 0.171 4.511 4.340 -0.000 0.000 0.235 295 L C 0.416 177.272 176.870 -0.023 0.000 1.127 295 L CA 0.101 54.922 54.840 -0.032 0.000 0.914 295 L CB 0.510 42.603 42.059 0.056 0.000 1.193 295 L HN 0.131 nan 8.230 nan 0.000 0.502 296 S N -0.767 115.030 115.700 0.161 0.000 2.499 296 S HA 0.270 4.740 4.470 -0.000 0.000 0.238 296 S C -0.391 174.404 174.600 0.325 0.000 1.205 296 S CA -0.461 57.885 58.200 0.244 0.000 1.203 296 S CB -0.046 63.391 63.200 0.394 0.000 0.954 296 S HN 0.361 nan 8.310 nan 0.000 0.484 297 Y N 0.164 120.580 120.300 0.195 0.000 4.798 297 Y HA -0.255 4.295 4.550 -0.000 0.000 0.237 297 Y C 1.144 177.296 175.900 0.419 0.000 1.017 297 Y CA 0.939 59.228 58.100 0.315 0.000 2.010 297 Y CB -2.007 36.750 38.460 0.494 0.000 1.582 297 Y HN 0.792 nan 8.280 nan 0.000 0.621 298 G N -0.420 108.594 108.800 0.357 0.000 2.741 298 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.222 298 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.222 298 G C 0.304 175.344 174.900 0.233 0.000 1.364 298 G CA -0.233 45.041 45.100 0.290 0.000 0.866 298 G HN 0.767 nan 8.290 nan 0.000 0.555 299 L N 0.084 121.376 121.223 0.115 0.000 2.083 299 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 299 L C 3.056 179.958 176.870 0.054 0.000 1.083 299 L CA 3.059 57.856 54.840 -0.072 0.000 0.752 299 L CB -0.954 40.708 42.059 -0.662 0.000 0.899 299 L HN 0.777 nan 8.230 nan 0.000 0.433 300 C N -0.356 119.065 119.300 0.201 0.000 2.413 300 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 300 C C 2.708 177.524 174.990 -0.291 0.000 1.265 300 C CA 1.101 60.103 59.018 -0.026 0.000 1.752 300 C CB -0.848 26.694 27.740 -0.329 0.000 1.998 300 C HN 0.677 nan 8.230 nan 0.000 0.489 301 E N -0.454 119.626 120.200 -0.200 0.000 2.122 301 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 301 E C 1.861 178.440 176.600 -0.035 0.000 0.977 301 E CA 0.911 57.219 56.400 -0.153 0.000 0.820 301 E CB -0.559 29.223 29.700 0.138 0.000 0.770 301 E HN 0.674 nan 8.360 nan 0.000 0.462 302 Y N 1.364 121.636 120.300 -0.046 0.000 2.256 302 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 302 Y C 1.998 177.858 175.900 -0.066 0.000 1.155 302 Y CA 2.106 60.184 58.100 -0.037 0.000 1.203 302 Y CB 0.070 38.524 38.460 -0.009 0.000 0.980 302 Y HN 0.157 nan 8.280 nan 0.000 0.530 303 Q N -0.543 119.285 119.800 0.046 0.000 2.119 303 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 303 Q C 2.270 178.205 176.000 -0.109 0.000 0.972 303 Q CA 1.449 57.262 55.803 0.017 0.000 0.847 303 Q CB -0.191 28.586 28.738 0.064 0.000 0.903 303 Q HN 0.493 nan 8.270 nan 0.000 0.433 304 R N -0.185 120.191 120.500 -0.206 0.000 2.115 304 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 304 R C 2.254 178.379 176.300 -0.291 0.000 1.111 304 R CA 1.469 57.378 56.100 -0.318 0.000 0.976 304 R CB -0.156 29.814 30.300 -0.550 0.000 0.870 304 R HN 0.196 nan 8.270 nan 0.000 0.445 305 T N 1.502 115.878 114.554 -0.296 0.000 2.821 305 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 305 T C 1.824 176.326 174.700 -0.330 0.000 1.046 305 T CA 0.884 62.760 62.100 -0.372 0.000 1.139 305 T CB -0.060 68.449 68.868 -0.599 0.000 0.871 305 T HN 0.134 nan 8.240 nan 0.000 0.454 306 L N 0.637 121.680 121.223 -0.299 0.000 2.131 306 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 306 L C 2.781 179.609 176.870 -0.071 0.000 1.092 306 L CA 1.088 55.836 54.840 -0.153 0.000 0.759 306 L CB -0.411 41.613 42.059 -0.059 0.000 0.903 306 L HN 0.180 nan 8.230 nan 0.000 0.435 307 E N 0.071 120.218 120.200 -0.088 0.000 2.110 307 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 307 E C 2.144 178.722 176.600 -0.037 0.000 0.988 307 E CA 1.003 57.368 56.400 -0.058 0.000 0.804 307 E CB -0.144 29.498 29.700 -0.097 0.000 0.745 307 E HN 0.174 nan 8.360 nan 0.000 0.458 308 V N 0.649 120.523 119.914 -0.067 0.000 2.343 308 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 308 V C 2.370 178.495 176.094 0.051 0.000 1.051 308 V CA 1.465 63.760 62.300 -0.008 0.000 1.036 308 V CB -0.448 31.314 31.823 -0.100 0.000 0.654 308 V HN 0.325 nan 8.190 nan 0.000 0.451 309 L N -0.470 120.741 121.223 -0.020 0.000 2.042 309 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 309 L C 2.576 179.552 176.870 0.176 0.000 1.076 309 L CA 1.915 56.788 54.840 0.055 0.000 0.749 309 L CB -0.785 41.312 42.059 0.063 0.000 0.893 309 L HN 0.345 nan 8.230 nan 0.000 0.432 310 K N -0.461 120.004 120.400 0.107 0.000 2.057 310 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 310 K C 2.008 178.653 176.600 0.075 0.000 1.049 310 K CA 1.744 58.086 56.287 0.092 0.000 0.931 310 K CB -0.298 32.232 32.500 0.050 0.000 0.714 310 K HN 0.218 nan 8.250 nan 0.000 0.440 311 T N 0.302 114.891 114.554 0.058 0.000 2.849 311 T HA -0.122 4.228 4.350 -0.000 0.000 0.270 311 T C 1.034 175.650 174.700 -0.140 0.000 1.066 311 T CA 1.047 63.128 62.100 -0.033 0.000 1.130 311 T CB -0.155 68.692 68.868 -0.036 0.000 0.864 311 T HN 0.315 nan 8.240 nan 0.000 0.481 312 H N -0.573 118.533 119.070 0.061 0.000 2.542 312 H HA 0.351 4.907 4.556 -0.000 0.000 0.283 312 H C 1.696 177.152 175.328 0.213 0.000 1.059 312 H CA 0.275 56.397 56.048 0.123 0.000 1.162 312 H CB 0.331 30.166 29.762 0.122 0.000 1.539 312 H HN 0.466 nan 8.280 nan 0.000 0.543 313 G N 1.022 109.940 108.800 0.198 0.000 2.160 313 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 313 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 313 G C -0.423 174.537 174.900 0.100 0.000 1.008 313 G CA 0.082 45.246 45.100 0.106 0.000 0.724 313 G HN 0.293 nan 8.290 nan 0.000 0.514 314 W N 0.088 121.398 121.300 0.016 0.000 2.448 314 W HA 0.704 5.364 4.660 -0.000 0.000 0.339 314 W C 0.684 177.205 176.519 0.003 0.000 1.124 314 W CA -0.218 57.127 57.345 -0.001 0.000 1.262 314 W CB 1.602 31.065 29.460 0.005 0.000 1.251 314 W HN 0.230 nan 8.180 nan 0.000 0.597 315 S N 2.208 118.040 115.700 0.220 0.000 2.508 315 S HA 0.339 4.809 4.470 -0.000 0.000 0.284 315 S C -1.649 173.070 174.600 0.198 0.000 1.192 315 S CA -1.557 56.733 58.200 0.149 0.000 1.070 315 S CB 1.155 64.395 63.200 0.066 0.000 1.004 315 S HN 0.192 nan 8.310 nan 0.000 0.493 316 P HA -0.075 nan 4.420 nan 0.000 0.223 316 P C 1.226 178.649 177.300 0.205 0.000 1.144 316 P CA 0.880 64.086 63.100 0.176 0.000 0.783 316 P CB -0.031 31.753 31.700 0.141 0.000 0.771 317 S N -1.466 114.344 115.700 0.184 0.000 2.603 317 S HA -0.013 4.457 4.470 -0.000 0.000 0.229 317 S C 1.688 176.464 174.600 0.294 0.000 0.972 317 S CA 0.385 58.713 58.200 0.214 0.000 0.935 317 S CB -0.619 62.674 63.200 0.155 0.000 0.769 317 S HN 0.024 nan 8.310 nan 0.000 0.536 318 R N 0.106 120.767 120.500 0.268 0.000 2.300 318 R HA 0.277 4.617 4.340 -0.000 0.000 0.199 318 R C -0.052 176.511 176.300 0.438 0.000 0.920 318 R CA -0.003 56.264 56.100 0.279 0.000 1.046 318 R CB -0.719 29.762 30.300 0.301 0.000 0.984 318 R HN 0.418 nan 8.270 nan 0.000 0.493 319 C N 1.618 121.135 119.300 0.361 0.000 2.435 319 C HA 0.513 4.973 4.460 -0.000 0.000 0.375 319 C C 0.725 175.900 174.990 0.308 0.000 1.281 319 C CA -0.558 58.641 59.018 0.301 0.000 1.963 319 C CB -0.037 27.892 27.740 0.315 0.000 2.490 319 C HN 0.265 nan 8.230 nan 0.000 0.557 320 I N 4.511 125.215 120.570 0.223 0.000 2.649 320 I HA 0.219 4.389 4.170 -0.000 0.000 0.275 320 I C -2.427 173.774 176.117 0.141 0.000 1.153 320 I CA -1.444 59.968 61.300 0.186 0.000 1.069 320 I CB 1.121 39.213 38.000 0.153 0.000 1.227 320 I HN 0.337 nan 8.210 nan 0.000 0.505 321 P HA -0.107 nan 4.420 nan 0.000 0.264 321 P C -0.361 176.991 177.300 0.087 0.000 1.179 321 P CA 0.524 63.685 63.100 0.101 0.000 0.763 321 P CB 0.288 31.983 31.700 -0.007 0.000 0.806 322 H N 1.909 121.015 119.070 0.060 0.000 2.546 322 H HA 0.357 4.913 4.556 -0.000 0.000 0.365 322 H C 1.322 176.693 175.328 0.073 0.000 1.220 322 H CA 0.772 56.879 56.048 0.097 0.000 1.386 322 H CB 0.596 30.451 29.762 0.156 0.000 1.510 322 H HN 0.696 nan 8.280 nan 0.000 0.591 323 G N 0.738 109.131 108.800 -0.678 0.000 2.307 323 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.210 323 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.210 323 G C 1.087 176.039 174.900 0.086 0.000 1.005 323 G CA 0.455 45.479 45.100 -0.126 0.000 0.634 323 G HN 1.630 nan 8.290 nan 0.000 0.496 324 G N 0.148 108.784 108.800 -0.273 0.000 2.283 324 G HA2 0.067 4.027 3.960 -0.000 0.000 0.280 324 G HA3 0.067 4.027 3.960 -0.000 0.000 0.280 324 G C 0.124 175.018 174.900 -0.010 0.000 1.029 324 G CA 1.651 46.592 45.100 -0.265 0.000 0.840 324 G HN 2.432 nan 8.290 nan 0.000 0.505 325 H N -3.998 115.113 119.070 0.069 0.000 2.616 325 H HA 0.751 5.307 4.556 -0.000 0.000 0.353 325 H C 1.084 176.456 175.328 0.073 0.000 1.170 325 H CA -0.856 55.282 56.048 0.149 0.000 1.212 325 H CB 0.777 30.616 29.762 0.128 0.000 1.653 325 H HN 0.006 nan 8.280 nan 0.000 0.537 326 Q N 0.514 120.511 119.800 0.329 0.000 2.291 326 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 326 Q C 1.789 177.832 176.000 0.071 0.000 0.976 326 Q CA 1.571 57.465 55.803 0.151 0.000 0.875 326 Q CB -0.176 28.614 28.738 0.087 0.000 0.927 326 Q HN 0.738 nan 8.270 nan 0.000 0.450 327 M N -0.156 119.565 119.600 0.202 0.000 2.086 327 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 327 M C 1.794 178.116 176.300 0.037 0.000 1.067 327 M CA 1.768 57.121 55.300 0.089 0.000 1.116 327 M CB -0.483 32.154 32.600 0.060 0.000 1.348 327 M HN 0.036 nan 8.290 nan 0.000 0.407 328 S N 0.468 116.195 115.700 0.045 0.000 2.382 328 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 328 S C 1.898 176.430 174.600 -0.113 0.000 1.027 328 S CA 1.448 59.555 58.200 -0.155 0.000 0.991 328 S CB -0.607 62.389 63.200 -0.340 0.000 0.823 328 S HN 0.557 nan 8.310 nan 0.000 0.469 329 L N 1.723 122.905 121.223 -0.068 0.000 2.042 329 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 329 L C 2.343 179.168 176.870 -0.074 0.000 1.076 329 L CA 1.060 55.869 54.840 -0.052 0.000 0.749 329 L CB -0.639 41.421 42.059 0.002 0.000 0.893 329 L HN 0.361 nan 8.230 nan 0.000 0.432 330 N N 0.219 118.893 118.700 -0.044 0.000 2.188 330 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 330 N C 1.918 177.424 175.510 -0.007 0.000 1.018 330 N CA 1.373 54.434 53.050 0.018 0.000 0.858 330 N CB -0.018 38.494 38.487 0.043 0.000 0.989 330 N HN 0.365 nan 8.380 nan 0.000 0.426 331 I N 1.237 121.752 120.570 -0.093 0.000 2.252 331 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 331 I C 2.499 178.575 176.117 -0.068 0.000 1.102 331 I CA 0.661 61.880 61.300 -0.134 0.000 1.385 331 I CB -0.331 37.513 38.000 -0.259 0.000 1.064 331 I HN 0.031 nan 8.210 nan 0.000 0.414 332 A N 0.996 123.784 122.820 -0.054 0.000 1.877 332 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 332 A C 2.546 180.128 177.584 -0.004 0.000 1.186 332 A CA 2.022 54.057 52.037 -0.004 0.000 0.620 332 A CB -0.861 18.140 19.000 0.001 0.000 0.822 332 A HN 0.427 nan 8.150 nan 0.000 0.443 333 A N -0.865 121.922 122.820 -0.055 0.000 1.930 333 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 333 A C 2.324 179.943 177.584 0.057 0.000 1.175 333 A CA 1.835 53.817 52.037 -0.091 0.000 0.627 333 A CB -1.097 17.656 19.000 -0.411 0.000 0.815 333 A HN 0.688 nan 8.150 nan 0.000 0.443 334 G N -0.713 108.148 108.800 0.102 0.000 2.411 334 G HA2 0.104 4.064 3.960 -0.000 0.000 0.213 334 G HA3 0.104 4.064 3.960 -0.000 0.000 0.213 334 G C 1.238 176.142 174.900 0.007 0.000 1.166 334 G CA 0.760 45.928 45.100 0.114 0.000 0.802 334 G HN 0.409 nan 8.290 nan 0.000 0.533 335 L N 0.227 121.426 121.223 -0.040 0.000 2.728 335 L HA 0.359 4.699 4.340 -0.000 0.000 0.238 335 L C 1.438 178.319 176.870 0.019 0.000 1.143 335 L CA 0.207 55.006 54.840 -0.069 0.000 0.937 335 L CB 0.281 42.243 42.059 -0.162 0.000 1.225 335 L HN 0.292 nan 8.230 nan 0.000 0.507 336 G N 1.480 110.309 108.800 0.047 0.000 2.248 336 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 336 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 336 G C 0.030 175.000 174.900 0.116 0.000 1.082 336 G CA -0.149 44.999 45.100 0.080 0.000 0.863 336 G HN 0.205 nan 8.290 nan 0.000 0.495 337 L N -0.803 120.495 121.223 0.125 0.000 2.479 337 L HA 0.537 4.877 4.340 -0.000 0.000 0.248 337 L C 2.075 179.071 176.870 0.210 0.000 1.205 337 L CA -0.023 54.925 54.840 0.180 0.000 0.817 337 L CB 0.337 42.499 42.059 0.171 0.000 1.162 337 L HN 0.211 nan 8.230 nan 0.000 0.486 338 G N -0.822 108.149 108.800 0.285 0.000 2.534 338 G HA2 0.358 4.318 3.960 -0.000 0.000 0.217 338 G HA3 0.358 4.318 3.960 -0.000 0.000 0.217 338 G C 0.541 175.638 174.900 0.328 0.000 1.128 338 G CA 0.739 46.047 45.100 0.346 0.000 0.784 338 G HN 0.954 nan 8.290 nan 0.000 0.542 339 G N -1.140 107.828 108.800 0.279 0.000 2.350 339 G HA2 0.235 4.195 3.960 -0.000 0.000 0.276 339 G HA3 0.235 4.195 3.960 -0.000 0.000 0.276 339 G C -1.785 173.199 174.900 0.140 0.000 1.313 339 G CA -0.322 44.940 45.100 0.270 0.000 0.903 339 G HN 0.417 nan 8.290 nan 0.000 0.490 340 N N -0.654 118.063 118.700 0.029 0.000 2.416 340 N HA 0.441 5.181 4.740 -0.000 0.000 0.276 340 N C -0.919 174.454 175.510 -0.228 0.000 1.261 340 N CA -0.542 52.468 53.050 -0.066 0.000 0.790 340 N CB 2.637 41.059 38.487 -0.109 0.000 1.554 340 N HN 0.661 nan 8.380 nan 0.000 0.481 341 E N 0.498 120.482 120.200 -0.359 0.000 2.349 341 E HA 0.317 4.667 4.350 -0.000 0.000 0.262 341 E C -1.352 174.743 176.600 -0.842 0.000 1.088 341 E CA -0.311 55.539 56.400 -0.917 0.000 0.899 341 E CB 1.167 30.449 29.700 -0.697 0.000 1.044 341 E HN 0.367 nan 8.360 nan 0.000 0.420 342 S N 2.166 117.214 115.700 -1.086 0.000 2.546 342 S HA 0.393 4.863 4.470 -0.000 0.000 0.272 342 S C -1.959 172.112 174.600 -0.882 0.000 1.140 342 S CA -0.637 57.103 58.200 -0.766 0.000 0.920 342 S CB 0.509 63.491 63.200 -0.363 0.000 1.083 342 S HN 0.466 nan 8.310 nan 0.000 0.476 343 Y N 4.096 124.201 120.300 -0.326 0.000 2.842 343 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 343 Y C -2.025 173.711 175.900 -0.272 0.000 1.019 343 Y CA -1.963 55.955 58.100 -0.303 0.000 1.258 343 Y CB 1.021 39.390 38.460 -0.152 0.000 1.106 343 Y HN 0.495 nan 8.280 nan 0.000 0.545 344 P HA -0.131 nan 4.420 nan 0.000 0.218 344 P C 0.417 177.734 177.300 0.028 0.000 1.148 344 P CA 1.660 64.749 63.100 -0.019 0.000 0.822 344 P CB 0.452 32.199 31.700 0.078 0.000 0.784 345 D N -2.296 118.119 120.400 0.026 0.000 2.431 345 D HA 0.164 4.804 4.640 -0.000 0.000 0.213 345 D C 0.016 176.183 176.300 -0.221 0.000 1.130 345 D CA 0.214 54.182 54.000 -0.053 0.000 0.834 345 D CB 0.428 41.222 40.800 -0.011 0.000 0.985 345 D HN 0.066 nan 8.370 nan 0.000 0.504 346 L N -0.457 120.557 121.223 -0.348 0.000 2.341 346 L HA 0.389 4.729 4.340 -0.000 0.000 0.267 346 L C 0.393 176.846 176.870 -0.694 0.000 1.009 346 L CA -0.986 53.358 54.840 -0.826 0.000 0.819 346 L CB 0.933 42.032 42.059 -1.600 0.000 1.323 346 L HN 0.024 nan 8.230 nan 0.000 0.425 347 F N -0.935 118.932 119.950 -0.139 0.000 3.048 347 F HA -0.277 4.250 4.527 -0.000 0.000 0.287 347 F C 0.876 176.666 175.800 -0.018 0.000 0.796 347 F CA 0.080 58.043 58.000 -0.062 0.000 1.111 347 F CB -1.339 37.604 39.000 -0.096 0.000 1.320 347 F HN 0.513 nan 8.300 nan 0.000 0.430 348 Q N 2.273 122.067 119.800 -0.010 0.000 2.421 348 Q HA 0.086 4.426 4.340 -0.000 0.000 0.255 348 Q C -0.938 174.924 176.000 -0.229 0.000 1.013 348 Q CA -0.907 54.824 55.803 -0.120 0.000 0.895 348 Q CB 0.293 28.957 28.738 -0.124 0.000 1.271 348 Q HN 0.086 nan 8.270 nan 0.000 0.460 349 P HA -0.015 nan 4.420 nan 0.000 0.253 349 P C -0.623 176.281 177.300 -0.661 0.000 1.260 349 P CA 0.253 63.034 63.100 -0.533 0.000 0.800 349 P CB 0.151 31.539 31.700 -0.521 0.000 1.162 350 Y N 1.268 121.392 120.300 -0.293 0.000 2.465 350 Y HA 0.417 4.967 4.550 -0.000 0.000 0.331 350 Y C 1.824 177.629 175.900 -0.159 0.000 1.102 350 Y CA 1.166 58.913 58.100 -0.588 0.000 1.358 350 Y CB 0.085 38.025 38.460 -0.867 0.000 1.213 350 Y HN 0.205 nan 8.280 nan 0.000 0.525 351 G N 0.826 109.752 108.800 0.209 0.000 2.548 351 G HA2 0.356 4.316 3.960 -0.000 0.000 0.208 351 G HA3 0.356 4.316 3.960 -0.000 0.000 0.208 351 G C -0.013 174.915 174.900 0.047 0.000 1.308 351 G CA -0.407 44.891 45.100 0.329 0.000 0.924 351 G HN 1.771 nan 8.290 nan 0.000 0.540 352 G N -2.249 106.415 108.800 -0.227 0.000 2.632 352 G HA2 0.408 4.368 3.960 -0.000 0.000 0.224 352 G HA3 0.408 4.368 3.960 -0.000 0.000 0.224 352 G C -0.262 174.208 174.900 -0.717 0.000 1.341 352 G CA 0.521 45.258 45.100 -0.606 0.000 0.880 352 G HN 1.929 nan 8.290 nan 0.000 0.566 353 F N -0.097 119.895 119.950 0.071 0.000 2.640 353 F HA 0.708 5.235 4.527 -0.000 0.000 0.324 353 F C -2.102 173.731 175.800 0.056 0.000 1.077 353 F CA -2.084 55.946 58.000 0.050 0.000 0.965 353 F CB 1.071 40.073 39.000 0.003 0.000 1.351 353 F HN 0.357 nan 8.300 nan 0.000 0.487 354 P HA 0.070 nan 4.420 nan 0.000 0.269 354 P C -0.995 176.382 177.300 0.129 0.000 1.215 354 P CA -0.132 63.060 63.100 0.153 0.000 0.780 354 P CB 0.414 32.181 31.700 0.113 0.000 0.898 355 D N 1.436 121.891 120.400 0.092 0.000 2.487 355 D HA 0.219 4.859 4.640 -0.000 0.000 0.243 355 D C 1.596 177.929 176.300 0.054 0.000 1.154 355 D CA 1.707 55.748 54.000 0.069 0.000 0.876 355 D CB 0.084 40.915 40.800 0.052 0.000 1.161 355 D HN 0.661 nan 8.370 nan 0.000 0.478 356 G N 1.126 109.954 108.800 0.046 0.000 2.313 356 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 356 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 356 G C 0.412 175.313 174.900 0.003 0.000 1.023 356 G CA 0.012 45.125 45.100 0.022 0.000 0.626 356 G HN 0.820 nan 8.290 nan 0.000 0.503 357 V N 2.657 122.575 119.914 0.007 0.000 2.508 357 V HA 0.716 4.836 4.120 -0.000 0.000 0.281 357 V C 0.434 176.463 176.094 -0.108 0.000 1.041 357 V CA -0.663 61.600 62.300 -0.062 0.000 1.016 357 V CB 0.718 32.491 31.823 -0.084 0.000 0.984 357 V HN 0.448 nan 8.190 nan 0.000 0.478 358 R N 4.232 124.644 120.500 -0.147 0.000 2.598 358 R HA 0.612 4.952 4.340 -0.000 0.000 0.279 358 R C -0.932 175.193 176.300 -0.292 0.000 0.984 358 R CA -0.830 55.169 56.100 -0.169 0.000 0.999 358 R CB 1.838 32.070 30.300 -0.113 0.000 1.114 358 R HN 0.637 nan 8.270 nan 0.000 0.493 359 V N 2.625 122.330 119.914 -0.348 0.000 2.385 359 V HA 0.166 4.286 4.120 -0.000 0.000 0.269 359 V C 0.162 176.069 176.094 -0.313 0.000 1.043 359 V CA -0.174 61.841 62.300 -0.476 0.000 0.906 359 V CB 0.710 32.049 31.823 -0.807 0.000 0.995 359 V HN 0.630 nan 8.190 nan 0.000 0.467 360 E N 5.060 125.131 120.200 -0.214 0.000 2.216 360 E HA 0.390 4.740 4.350 -0.000 0.000 0.260 360 E C -0.464 176.111 176.600 -0.042 0.000 0.880 360 E CA -0.724 55.605 56.400 -0.119 0.000 0.765 360 E CB 1.020 30.664 29.700 -0.093 0.000 1.174 360 E HN 0.657 nan 8.360 nan 0.000 0.417 361 N N 2.293 120.978 118.700 -0.024 0.000 2.727 361 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 361 N C 0.645 176.277 175.510 0.202 0.000 1.040 361 N CA 1.193 54.281 53.050 0.063 0.000 0.712 361 N CB -1.089 37.432 38.487 0.055 0.000 0.912 361 N HN 1.086 nan 8.380 nan 0.000 0.545 362 G N -0.966 107.853 108.800 0.033 0.000 2.166 362 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 362 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 362 G C -0.176 174.577 174.900 -0.245 0.000 0.986 362 G CA 1.197 46.269 45.100 -0.047 0.000 0.683 362 G HN 0.824 nan 8.290 nan 0.000 0.527 363 H N -0.991 117.994 119.070 -0.142 0.000 2.895 363 H HA 0.698 5.254 4.556 -0.000 0.000 0.373 363 H C 0.218 175.382 175.328 -0.274 0.000 1.174 363 H CA -0.289 55.670 56.048 -0.149 0.000 1.144 363 H CB 1.595 31.329 29.762 -0.046 0.000 1.793 363 H HN 0.568 nan 8.280 nan 0.000 0.551 364 I N -1.766 118.683 120.570 -0.201 0.000 2.957 364 I HA 0.756 4.926 4.170 -0.000 0.000 0.310 364 I C -0.624 175.373 176.117 -0.200 0.000 1.063 364 I CA -0.523 60.578 61.300 -0.332 0.000 1.033 364 I CB 2.302 39.900 38.000 -0.671 0.000 1.230 364 I HN 0.439 nan 8.210 nan 0.000 0.447 365 T N 4.688 119.126 114.554 -0.194 0.000 2.809 365 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 365 T C -0.184 174.422 174.700 -0.156 0.000 0.992 365 T CA -0.453 61.560 62.100 -0.146 0.000 0.957 365 T CB 0.924 69.733 68.868 -0.098 0.000 0.942 365 T HN 0.460 nan 8.240 nan 0.000 0.439 366 M N 5.980 125.448 119.600 -0.220 0.000 2.356 366 M HA 0.181 4.661 4.480 -0.000 0.000 0.348 366 M C -1.938 174.325 176.300 -0.062 0.000 1.595 366 M CA -2.217 52.944 55.300 -0.233 0.000 1.095 366 M CB -0.483 31.727 32.600 -0.650 0.000 1.963 366 M HN 0.321 nan 8.290 nan 0.000 0.459 367 P HA 0.144 nan 4.420 nan 0.000 0.276 367 P C -0.685 176.724 177.300 0.182 0.000 1.252 367 P CA -0.319 62.828 63.100 0.078 0.000 0.802 367 P CB 0.936 32.666 31.700 0.050 0.000 1.035 368 D N 1.601 122.095 120.400 0.156 0.000 2.688 368 D HA 0.211 4.851 4.640 -0.000 0.000 0.228 368 D C 0.142 176.490 176.300 0.080 0.000 1.116 368 D CA 0.263 54.351 54.000 0.147 0.000 1.023 368 D CB -0.368 40.481 40.800 0.082 0.000 1.100 368 D HN 0.220 nan 8.370 nan 0.000 0.487 369 L N 2.390 123.672 121.223 0.098 0.000 2.334 369 L HA 0.327 4.667 4.340 -0.000 0.000 0.277 369 L C -1.852 175.036 176.870 0.030 0.000 1.075 369 L CA -1.830 53.040 54.840 0.051 0.000 0.804 369 L CB 1.195 43.283 42.059 0.048 0.000 1.174 369 L HN -0.057 nan 8.230 nan 0.000 0.438 370 P HA 0.118 nan 4.420 nan 0.000 0.269 370 P C 0.377 177.685 177.300 0.013 0.000 1.209 370 P CA 0.499 63.600 63.100 0.002 0.000 0.776 370 P CB 1.044 32.748 31.700 0.007 0.000 0.876 371 G N 2.341 111.150 108.800 0.014 0.000 2.552 371 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 371 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 371 G C 0.894 175.786 174.900 -0.012 0.000 1.234 371 G CA 0.144 45.260 45.100 0.027 0.000 0.944 371 G HN 0.439 nan 8.290 nan 0.000 0.568 372 I N 1.635 122.145 120.570 -0.101 0.000 2.439 372 I HA 0.220 4.390 4.170 -0.000 0.000 0.251 372 I C 2.345 178.303 176.117 -0.265 0.000 1.139 372 I CA 1.698 62.831 61.300 -0.277 0.000 1.438 372 I CB -0.345 37.227 38.000 -0.714 0.000 1.085 372 I HN 1.908 nan 8.210 nan 0.000 0.427 373 G N -0.164 108.525 108.800 -0.184 0.000 2.154 373 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.186 373 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.186 373 G C 0.639 175.551 174.900 0.021 0.000 1.000 373 G CA -0.241 44.825 45.100 -0.055 0.000 0.664 373 G HN 0.315 nan 8.290 nan 0.000 0.513 374 F N 0.729 120.748 119.950 0.115 0.000 2.161 374 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 374 F C 2.547 178.352 175.800 0.008 0.000 1.089 374 F CA 1.445 59.519 58.000 0.122 0.000 1.282 374 F CB -0.011 39.115 39.000 0.211 0.000 1.010 374 F HN 0.233 nan 8.300 nan 0.000 0.485 375 E N 0.212 120.428 120.200 0.027 0.000 2.219 375 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 375 E C 2.300 178.816 176.600 -0.141 0.000 0.998 375 E CA 1.045 57.210 56.400 -0.392 0.000 0.818 375 E CB -0.688 28.729 29.700 -0.473 0.000 0.741 375 E HN 0.385 nan 8.360 nan 0.000 0.477 376 G N 0.084 108.883 108.800 -0.002 0.000 2.650 376 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 376 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 376 G C 0.546 175.491 174.900 0.076 0.000 1.136 376 G CA -0.111 45.010 45.100 0.036 0.000 0.789 376 G HN 0.080 nan 8.290 nan 0.000 0.536 377 K N 1.324 121.791 120.400 0.113 0.000 2.419 377 K HA 0.290 4.610 4.320 -0.000 0.000 0.244 377 K C 1.753 178.416 176.600 0.104 0.000 1.045 377 K CA 0.134 56.486 56.287 0.109 0.000 1.004 377 K CB 0.708 33.288 32.500 0.133 0.000 1.376 377 K HN 0.125 nan 8.250 nan 0.000 0.460 378 S N 2.794 118.546 115.700 0.086 0.000 2.368 378 S HA -0.264 4.206 4.470 -0.000 0.000 0.226 378 S C 1.481 176.107 174.600 0.044 0.000 1.044 378 S CA 1.967 60.224 58.200 0.094 0.000 1.062 378 S CB -0.413 62.824 63.200 0.063 0.000 0.931 378 S HN 0.836 nan 8.310 nan 0.000 0.440 379 D N 1.295 121.688 120.400 -0.012 0.000 2.218 379 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 379 D C 1.953 178.169 176.300 -0.141 0.000 0.976 379 D CA 0.791 54.745 54.000 -0.077 0.000 0.853 379 D CB -0.569 40.172 40.800 -0.098 0.000 0.939 379 D HN 0.520 nan 8.370 nan 0.000 0.481 380 L N -1.146 120.007 121.223 -0.117 0.000 2.084 380 L HA -0.087 4.253 4.340 -0.000 0.000 0.202 380 L C 2.418 179.217 176.870 -0.118 0.000 1.074 380 L CA 0.678 55.399 54.840 -0.197 0.000 0.757 380 L CB -0.362 41.617 42.059 -0.134 0.000 0.918 380 L HN -0.069 nan 8.230 nan 0.000 0.444 381 Y N 1.400 121.617 120.300 -0.138 0.000 2.256 381 Y HA -0.331 4.219 4.550 -0.000 0.000 0.288 381 Y C 2.632 178.436 175.900 -0.161 0.000 1.155 381 Y CA 1.955 59.965 58.100 -0.151 0.000 1.203 381 Y CB -0.318 38.118 38.460 -0.040 0.000 0.980 381 Y HN 0.133 nan 8.280 nan 0.000 0.530 382 K N -0.026 120.261 120.400 -0.189 0.000 2.063 382 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 382 K C 1.992 178.437 176.600 -0.258 0.000 1.048 382 K CA 2.008 58.151 56.287 -0.241 0.000 0.928 382 K CB -0.182 32.241 32.500 -0.127 0.000 0.713 382 K HN 0.206 nan 8.250 nan 0.000 0.442 383 E N 0.451 120.520 120.200 -0.218 0.000 2.072 383 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 383 E C 1.953 178.429 176.600 -0.206 0.000 0.985 383 E CA 1.521 57.819 56.400 -0.169 0.000 0.801 383 E CB -0.016 29.602 29.700 -0.135 0.000 0.750 383 E HN 0.350 nan 8.360 nan 0.000 0.452 384 M N 0.289 119.680 119.600 -0.349 0.000 2.099 384 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 384 M C 2.092 178.126 176.300 -0.444 0.000 1.067 384 M CA 1.768 56.743 55.300 -0.542 0.000 1.124 384 M CB -0.376 31.562 32.600 -1.103 0.000 1.353 384 M HN 0.008 nan 8.290 nan 0.000 0.410 385 K N 0.582 120.641 120.400 -0.569 0.000 2.283 385 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 385 K C 1.795 178.303 176.600 -0.152 0.000 1.048 385 K CA 1.309 57.400 56.287 -0.326 0.000 0.948 385 K CB -0.386 31.790 32.500 -0.542 0.000 0.742 385 K HN 0.227 nan 8.250 nan 0.000 0.458 386 A N 1.581 124.300 122.820 -0.168 0.000 2.014 386 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 386 A C 2.083 179.650 177.584 -0.030 0.000 1.163 386 A CA 0.873 52.858 52.037 -0.087 0.000 0.652 386 A CB -0.342 18.605 19.000 -0.089 0.000 0.808 386 A HN 0.337 nan 8.150 nan 0.000 0.449 387 L N -1.481 119.737 121.223 -0.009 0.000 2.068 387 L HA 0.418 4.758 4.340 -0.000 0.000 0.204 387 L C 0.762 177.686 176.870 0.090 0.000 1.076 387 L CA 1.715 56.586 54.840 0.051 0.000 0.753 387 L CB -0.246 41.867 42.059 0.090 0.000 0.910 387 L HN 0.435 nan 8.230 nan 0.000 0.439 388 A N -1.077 121.832 122.820 0.150 0.000 2.577 388 A HA 0.629 4.949 4.320 -0.000 0.000 0.297 388 A C -0.868 176.837 177.584 0.202 0.000 1.060 388 A CA -0.515 51.612 52.037 0.150 0.000 0.697 388 A CB 0.902 19.988 19.000 0.143 0.000 1.281 388 A HN 0.221 nan 8.150 nan 0.000 0.402 389 E N 0.000 120.279 120.200 0.131 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.487 56.400 0.146 0.000 0.976 389 E CB 0.000 29.751 29.700 0.085 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440