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 1hjx_1_C DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAXXXKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.887 175.900 -0.022 0.000 1.272 22 Y CA 0.000 58.091 58.100 -0.014 0.000 1.940 22 Y CB 0.000 38.456 38.460 -0.006 0.000 1.050 23 K N 2.280 122.744 120.400 0.106 0.000 2.144 23 K HA 0.660 4.980 4.320 -0.000 0.000 0.270 23 K C -1.284 175.312 176.600 -0.008 0.000 1.005 23 K CA -0.950 55.326 56.287 -0.020 0.000 0.932 23 K CB 1.419 33.743 32.500 -0.293 0.000 1.021 23 K HN 0.429 nan 8.250 nan 0.000 0.462 24 L N 3.464 124.692 121.223 0.009 0.000 2.442 24 L HA 0.264 4.604 4.340 -0.000 0.000 0.261 24 L C -1.437 175.433 176.870 0.000 0.000 1.000 24 L CA -0.589 54.259 54.840 0.013 0.000 0.882 24 L CB 1.423 43.503 42.059 0.036 0.000 1.207 24 L HN 0.278 nan 8.230 nan 0.000 0.443 25 V N 4.074 123.960 119.914 -0.048 0.000 2.406 25 V HA 0.415 4.535 4.120 -0.000 0.000 0.272 25 V C -0.145 175.963 176.094 0.025 0.000 1.043 25 V CA -0.278 61.990 62.300 -0.053 0.000 0.915 25 V CB 0.998 32.744 31.823 -0.129 0.000 0.988 25 V HN 0.841 nan 8.190 nan 0.000 0.466 26 c N 5.186 123.773 118.600 -0.022 0.000 2.369 26 c HA 0.590 5.159 4.570 -0.000 0.000 0.322 26 c C -0.280 173.742 174.090 -0.112 0.000 1.258 26 c CA -1.289 55.034 56.329 -0.011 0.000 1.487 26 c CB 0.453 42.940 42.510 -0.039 0.000 2.165 26 c HN 0.754 nan 8.230 nan 0.000 0.483 27 Y N 1.340 121.591 120.300 -0.083 0.000 2.299 27 Y HA 0.431 4.981 4.550 -0.000 0.000 0.326 27 Y C 0.008 175.664 175.900 -0.406 0.000 1.164 27 Y CA 0.138 58.080 58.100 -0.264 0.000 1.234 27 Y CB 0.620 38.781 38.460 -0.498 0.000 1.219 27 Y HN 0.718 nan 8.280 nan 0.000 0.497 28 Y N 2.719 122.792 120.300 -0.378 0.000 2.350 28 Y HA 0.478 5.028 4.550 -0.000 0.000 0.338 28 Y C -0.620 174.829 175.900 -0.752 0.000 0.961 28 Y CA -1.228 56.572 58.100 -0.500 0.000 1.100 28 Y CB 1.264 39.510 38.460 -0.358 0.000 1.179 28 Y HN 0.623 nan 8.280 nan 0.000 0.454 29 T N 1.514 114.930 114.554 -1.898 0.000 2.771 29 T HA 0.278 4.628 4.350 -0.000 0.000 0.281 29 T C 0.945 174.401 174.700 -2.073 0.000 0.982 29 T CA -0.111 60.786 62.100 -2.003 0.000 0.978 29 T CB 1.321 68.767 68.868 -2.370 0.000 0.930 29 T HN 0.760 nan 8.240 nan 0.000 0.447 30 S N 2.207 117.060 115.700 -1.412 0.000 2.399 30 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 30 S C 1.655 175.979 174.600 -0.460 0.000 1.022 30 S CA 0.827 58.581 58.200 -0.742 0.000 0.983 30 S CB -1.048 61.994 63.200 -0.263 0.000 0.803 30 S HN 1.010 nan 8.310 nan 0.000 0.480 31 W N 2.973 124.120 121.300 -0.255 0.000 2.611 31 W HA 0.184 4.844 4.660 -0.000 0.000 0.251 31 W C 1.889 178.341 176.519 -0.111 0.000 1.265 31 W CA 0.466 57.802 57.345 -0.014 0.000 1.295 31 W CB -1.005 28.534 29.460 0.131 0.000 1.129 31 W HN 0.365 nan 8.180 nan 0.000 0.630 32 S N 1.069 116.397 115.700 -0.620 0.000 2.555 32 S HA -0.250 4.220 4.470 -0.000 0.000 0.230 32 S C 1.768 176.160 174.600 -0.346 0.000 0.978 32 S CA 1.008 58.944 58.200 -0.439 0.000 0.934 32 S CB -0.825 61.992 63.200 -0.640 0.000 0.766 32 S HN 0.732 nan 8.310 nan 0.000 0.533 33 Q N -0.127 119.337 119.800 -0.560 0.000 2.230 33 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 33 Q C 1.129 176.917 176.000 -0.353 0.000 0.963 33 Q CA 1.103 56.446 55.803 -0.766 0.000 0.866 33 Q CB -0.768 27.222 28.738 -1.248 0.000 0.931 33 Q HN 0.664 nan 8.270 nan 0.000 0.452 34 Y N 1.278 121.608 120.300 0.050 0.000 2.561 34 Y HA 0.171 4.720 4.550 -0.000 0.000 0.291 34 Y C 0.619 176.622 175.900 0.172 0.000 1.141 34 Y CA -0.205 57.987 58.100 0.155 0.000 1.303 34 Y CB -0.049 38.525 38.460 0.189 0.000 1.015 34 Y HN -0.017 nan 8.280 nan 0.000 0.547 35 R N 1.743 122.414 120.500 0.284 0.000 2.623 35 R HA 0.047 4.387 4.340 -0.000 0.000 0.271 35 R C 0.163 176.657 176.300 0.323 0.000 1.043 35 R CA -0.049 56.235 56.100 0.306 0.000 1.083 35 R CB 0.321 30.808 30.300 0.313 0.000 0.974 35 R HN 0.321 nan 8.270 nan 0.000 0.436 36 E N 0.789 121.189 120.200 0.333 0.000 2.404 36 E HA 0.116 4.466 4.350 -0.000 0.000 0.261 36 E C 0.976 177.824 176.600 0.413 0.000 1.074 36 E CA 0.383 56.965 56.400 0.303 0.000 0.917 36 E CB 0.585 30.398 29.700 0.188 0.000 0.965 36 E HN 0.736 nan 8.360 nan 0.000 0.433 37 G N 3.085 112.072 108.800 0.312 0.000 2.614 37 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.303 37 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.303 37 G C 0.368 175.440 174.900 0.286 0.000 1.270 37 G CA 0.409 45.700 45.100 0.319 0.000 0.988 37 G HN 0.706 nan 8.290 nan 0.000 0.551 38 D N 1.531 122.077 120.400 0.244 0.000 2.392 38 D HA 0.094 4.733 4.640 -0.000 0.000 0.228 38 D C 2.253 178.478 176.300 -0.124 0.000 1.003 38 D CA 1.383 55.394 54.000 0.019 0.000 0.917 38 D CB -0.726 40.026 40.800 -0.080 0.000 0.890 38 D HN 0.642 nan 8.370 nan 0.000 0.532 39 G N -0.047 108.748 108.800 -0.007 0.000 2.623 39 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.214 39 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.214 39 G C 0.819 175.903 174.900 0.306 0.000 1.138 39 G CA -0.090 45.034 45.100 0.039 0.000 0.794 39 G HN 0.216 nan 8.290 nan 0.000 0.535 40 S N -0.362 115.514 115.700 0.293 0.000 2.537 40 S HA 0.258 4.728 4.470 -0.000 0.000 0.286 40 S C -0.263 174.470 174.600 0.223 0.000 1.299 40 S CA -0.346 57.992 58.200 0.230 0.000 1.067 40 S CB 0.155 63.526 63.200 0.285 0.000 0.864 40 S HN 0.306 nan 8.310 nan 0.000 0.494 41 C N 6.945 126.193 119.300 -0.086 0.000 2.431 41 C HA 0.768 5.228 4.460 -0.000 0.000 0.321 41 C C -1.189 173.640 174.990 -0.267 0.000 1.202 41 C CA -0.815 58.037 59.018 -0.276 0.000 1.398 41 C CB -0.491 26.776 27.740 -0.789 0.000 2.047 41 C HN 0.866 nan 8.230 nan 0.000 0.465 42 F N 5.341 125.243 119.950 -0.080 0.000 2.561 42 F HA 0.493 5.019 4.527 -0.000 0.000 0.321 42 F C -1.520 174.082 175.800 -0.331 0.000 1.065 42 F CA -1.854 56.068 58.000 -0.131 0.000 0.934 42 F CB 1.732 40.690 39.000 -0.071 0.000 1.215 42 F HN 0.362 nan 8.300 nan 0.000 0.471 43 P HA -0.198 nan 4.420 nan 0.000 0.217 43 P C 0.963 178.160 177.300 -0.171 0.000 1.148 43 P CA 1.612 64.431 63.100 -0.468 0.000 0.828 43 P CB 0.034 31.520 31.700 -0.357 0.000 0.783 44 D N -0.720 119.654 120.400 -0.043 0.000 2.392 44 D HA -0.062 4.577 4.640 -0.000 0.000 0.228 44 D C 1.352 177.671 176.300 0.032 0.000 1.003 44 D CA 0.779 54.768 54.000 -0.018 0.000 0.917 44 D CB -0.588 40.200 40.800 -0.022 0.000 0.890 44 D HN 0.134 nan 8.370 nan 0.000 0.532 45 A N 0.181 123.042 122.820 0.068 0.000 2.195 45 A HA 0.240 4.560 4.320 -0.000 0.000 0.210 45 A C 1.248 178.978 177.584 0.243 0.000 1.165 45 A CA -0.305 51.833 52.037 0.168 0.000 0.806 45 A CB -0.160 18.979 19.000 0.231 0.000 0.847 45 A HN 0.229 nan 8.150 nan 0.000 0.482 46 L N 0.964 122.258 121.223 0.118 0.000 2.349 46 L HA 0.209 4.549 4.340 -0.000 0.000 0.275 46 L C -0.163 176.724 176.870 0.028 0.000 1.115 46 L CA -0.688 54.212 54.840 0.100 0.000 0.820 46 L CB 0.568 42.572 42.059 -0.093 0.000 1.135 46 L HN 0.159 nan 8.230 nan 0.000 0.445 47 D N 2.629 123.016 120.400 -0.021 0.000 2.339 47 D HA 0.016 4.656 4.640 -0.000 0.000 0.256 47 D C 1.279 177.490 176.300 -0.148 0.000 1.214 47 D CA -0.342 53.645 54.000 -0.021 0.000 0.877 47 D CB 0.914 41.735 40.800 0.036 0.000 1.111 47 D HN 0.523 nan 8.370 nan 0.000 0.478 48 R N 2.825 123.194 120.500 -0.218 0.000 2.237 48 R HA -0.082 4.258 4.340 -0.000 0.000 0.219 48 R C 0.566 176.593 176.300 -0.455 0.000 1.080 48 R CA 1.036 56.904 56.100 -0.387 0.000 0.995 48 R CB -0.288 29.678 30.300 -0.556 0.000 0.875 48 R HN 0.299 nan 8.270 nan 0.000 0.462 49 F N -0.176 119.744 119.950 -0.051 0.000 2.695 49 F HA 0.200 4.727 4.527 -0.000 0.000 0.303 49 F C 1.509 177.278 175.800 -0.051 0.000 1.091 49 F CA -0.595 57.380 58.000 -0.041 0.000 1.300 49 F CB 0.194 39.182 39.000 -0.020 0.000 1.071 49 F HN -0.031 nan 8.300 nan 0.000 0.578 50 L N -0.346 120.900 121.223 0.038 0.000 2.005 50 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 50 L C 0.814 177.666 176.870 -0.030 0.000 1.072 50 L CA 1.376 56.197 54.840 -0.032 0.000 0.744 50 L CB -0.234 41.699 42.059 -0.209 0.000 0.895 50 L HN 0.056 nan 8.230 nan 0.000 0.433 51 c N -1.444 117.120 118.600 -0.060 0.000 2.399 51 c HA 0.480 5.050 4.570 -0.000 0.000 0.348 51 c C 1.965 176.057 174.090 0.004 0.000 1.183 51 c CA -0.000 56.314 56.329 -0.025 0.000 2.023 51 c CB 1.294 43.773 42.510 -0.050 0.000 2.361 51 c HN 0.606 nan 8.230 nan 0.000 0.521 52 T N -1.924 112.667 114.554 0.061 0.000 3.009 52 T HA 0.079 4.429 4.350 -0.000 0.000 0.258 52 T C 0.171 174.861 174.700 -0.017 0.000 1.063 52 T CA 1.012 63.151 62.100 0.064 0.000 1.139 52 T CB -0.184 68.794 68.868 0.184 0.000 0.890 52 T HN 0.792 nan 8.240 nan 0.000 0.471 53 H N -0.427 118.608 119.070 -0.059 0.000 2.806 53 H HA 0.698 5.254 4.556 -0.000 0.000 0.367 53 H C -1.123 174.173 175.328 -0.053 0.000 1.136 53 H CA -1.181 54.846 56.048 -0.036 0.000 1.178 53 H CB 1.538 31.285 29.762 -0.026 0.000 1.718 53 H HN 0.169 nan 8.280 nan 0.000 0.540 54 I N 3.661 124.278 120.570 0.078 0.000 2.447 54 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 54 I C -0.547 175.586 176.117 0.027 0.000 1.023 54 I CA -0.491 60.814 61.300 0.007 0.000 1.083 54 I CB 1.617 39.611 38.000 -0.009 0.000 1.245 54 I HN 0.367 nan 8.210 nan 0.000 0.434 55 I N 5.981 126.477 120.570 -0.123 0.000 2.354 55 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 55 I C -0.804 175.303 176.117 -0.015 0.000 0.989 55 I CA -0.790 60.428 61.300 -0.137 0.000 1.188 55 I CB 1.438 39.111 38.000 -0.546 0.000 1.342 55 I HN 0.479 nan 8.210 nan 0.000 0.457 56 Y N 5.579 125.892 120.300 0.021 0.000 2.336 56 Y HA 0.314 4.864 4.550 -0.000 0.000 0.335 56 Y C -0.103 175.783 175.900 -0.023 0.000 1.046 56 Y CA 0.066 58.221 58.100 0.092 0.000 1.198 56 Y CB 0.996 39.610 38.460 0.256 0.000 1.182 56 Y HN 0.524 nan 8.280 nan 0.000 0.502 57 S N 6.490 121.938 115.700 -0.419 0.000 2.502 57 S HA 0.646 5.116 4.470 -0.000 0.000 0.304 57 S C -1.386 172.872 174.600 -0.571 0.000 1.097 57 S CA -0.566 57.221 58.200 -0.689 0.000 1.045 57 S CB 0.879 63.229 63.200 -1.417 0.000 1.019 57 S HN 0.513 nan 8.310 nan 0.000 0.481 58 F N 0.739 120.761 119.950 0.120 0.000 2.640 58 F HA 0.806 5.333 4.527 -0.000 0.000 0.324 58 F C 0.344 176.334 175.800 0.316 0.000 1.077 58 F CA -1.001 57.100 58.000 0.168 0.000 0.965 58 F CB 1.317 40.307 39.000 -0.017 0.000 1.351 58 F HN 0.652 nan 8.300 nan 0.000 0.487 59 A N 1.124 124.288 122.820 0.573 0.000 2.281 59 A HA 0.677 4.997 4.320 -0.000 0.000 0.329 59 A C -0.788 177.174 177.584 0.630 0.000 1.122 59 A CA -0.501 51.862 52.037 0.544 0.000 0.850 59 A CB 1.070 20.263 19.000 0.322 0.000 1.207 59 A HN 0.708 nan 8.150 nan 0.000 0.495 60 N N -0.712 118.335 118.700 0.580 0.000 2.563 60 N HA 0.655 5.395 4.740 -0.000 0.000 0.288 60 N C -1.201 174.459 175.510 0.249 0.000 1.246 60 N CA -0.566 52.795 53.050 0.518 0.000 0.946 60 N CB 0.889 39.522 38.487 0.243 0.000 1.213 60 N HN 0.482 nan 8.380 nan 0.000 0.578 61 I N 0.646 121.304 120.570 0.146 0.000 2.468 61 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 61 I C -0.742 175.322 176.117 -0.089 0.000 1.038 61 I CA -0.467 60.817 61.300 -0.027 0.000 1.083 61 I CB 1.686 39.533 38.000 -0.255 0.000 1.223 61 I HN 0.232 nan 8.210 nan 0.000 0.443 62 S N 4.084 119.767 115.700 -0.029 0.000 2.502 62 S HA 0.316 4.786 4.470 -0.000 0.000 0.304 62 S C 0.358 174.982 174.600 0.039 0.000 1.097 62 S CA -0.405 57.771 58.200 -0.040 0.000 1.045 62 S CB 1.227 64.403 63.200 -0.041 0.000 1.019 62 S HN 0.770 nan 8.310 nan 0.000 0.481 63 N N 2.703 121.412 118.700 0.016 0.000 2.721 63 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 63 N C -0.531 175.111 175.510 0.221 0.000 1.072 63 N CA 1.299 54.398 53.050 0.080 0.000 0.710 63 N CB -1.190 37.330 38.487 0.055 0.000 0.993 63 N HN 0.746 nan 8.380 nan 0.000 0.547 64 D N -3.527 116.929 120.400 0.094 0.000 3.079 64 D HA -0.230 4.410 4.640 -0.000 0.000 0.214 64 D C -0.628 175.695 176.300 0.037 0.000 1.145 64 D CA 1.491 55.510 54.000 0.031 0.000 0.958 64 D CB -1.537 39.261 40.800 -0.003 0.000 1.117 64 D HN 0.735 nan 8.370 nan 0.000 0.416 65 H N -0.333 118.779 119.070 0.070 0.000 2.524 65 H HA 0.582 5.137 4.556 -0.000 0.000 0.353 65 H C 0.438 175.829 175.328 0.105 0.000 1.136 65 H CA -0.776 55.349 56.048 0.130 0.000 1.193 65 H CB 1.469 31.289 29.762 0.096 0.000 1.558 65 H HN 0.073 nan 8.280 nan 0.000 0.515 66 I N 1.590 122.304 120.570 0.239 0.000 2.813 66 I HA 0.072 4.242 4.170 -0.000 0.000 0.287 66 I C -0.352 175.630 176.117 -0.226 0.000 1.196 66 I CA 0.886 62.200 61.300 0.023 0.000 1.421 66 I CB 0.238 38.164 38.000 -0.124 0.000 1.365 66 I HN 0.684 nan 8.210 nan 0.000 0.591 67 D N 3.295 123.566 120.400 -0.215 0.000 2.671 67 D HA 0.265 4.905 4.640 -0.000 0.000 0.273 67 D C -1.038 175.362 176.300 0.165 0.000 1.264 67 D CA -0.136 53.846 54.000 -0.030 0.000 0.788 67 D CB 1.589 42.450 40.800 0.102 0.000 1.324 67 D HN 0.635 nan 8.370 nan 0.000 0.424 68 T N -1.391 113.377 114.554 0.357 0.000 2.856 68 T HA 0.117 4.467 4.350 -0.000 0.000 0.306 68 T C 0.499 175.402 174.700 0.338 0.000 1.062 68 T CA -0.321 62.010 62.100 0.384 0.000 1.083 68 T CB 0.959 69.971 68.868 0.240 0.000 0.984 68 T HN 0.515 nan 8.240 nan 0.000 0.542 69 W N 0.668 122.110 121.300 0.237 0.000 3.330 69 W HA 0.234 4.894 4.660 -0.000 0.000 0.243 69 W C 0.211 176.864 176.519 0.225 0.000 0.954 69 W CA 0.113 57.599 57.345 0.236 0.000 2.074 69 W CB 0.056 29.710 29.460 0.323 0.000 1.096 69 W HN 0.575 nan 8.180 nan 0.000 0.643 70 E N 1.895 122.429 120.200 0.556 0.000 2.366 70 E HA -0.041 4.309 4.350 -0.000 0.000 0.266 70 E C 1.411 178.124 176.600 0.189 0.000 1.051 70 E CA -0.019 56.625 56.400 0.406 0.000 0.884 70 E CB 0.037 29.929 29.700 0.320 0.000 1.006 70 E HN 0.355 nan 8.360 nan 0.000 0.417 71 W N 4.121 125.548 121.300 0.212 0.000 2.350 71 W HA -0.171 4.489 4.660 -0.000 0.000 0.289 71 W C 0.555 177.141 176.519 0.112 0.000 1.215 71 W CA 1.214 58.641 57.345 0.138 0.000 1.236 71 W CB -0.547 28.996 29.460 0.138 0.000 1.130 71 W HN 0.384 nan 8.180 nan 0.000 0.541 72 N N 0.569 118.598 118.700 -1.119 0.000 2.273 72 N HA -0.045 4.695 4.740 -0.000 0.000 0.231 72 N C 0.540 175.717 175.510 -0.555 0.000 1.134 72 N CA 0.124 52.518 53.050 -1.092 0.000 0.856 72 N CB -0.669 36.687 38.487 -1.885 0.000 1.068 72 N HN -0.105 nan 8.380 nan 0.000 0.510 73 D N 1.117 121.275 120.400 -0.403 0.000 2.106 73 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 73 D C 1.867 177.602 176.300 -0.940 0.000 0.997 73 D CA 1.156 54.833 54.000 -0.538 0.000 0.834 73 D CB 0.013 40.500 40.800 -0.523 0.000 0.956 73 D HN 0.086 nan 8.370 nan 0.000 0.448 74 V N 0.893 120.359 119.914 -0.747 0.000 2.282 74 V HA -0.294 3.825 4.120 -0.000 0.000 0.249 74 V C 2.548 178.465 176.094 -0.294 0.000 1.057 74 V CA 2.180 64.159 62.300 -0.535 0.000 1.032 74 V CB -0.978 30.723 31.823 -0.203 0.000 0.645 74 V HN 0.235 nan 8.190 nan 0.000 0.447 75 T N 0.127 114.533 114.554 -0.247 0.000 2.746 75 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 75 T C 1.847 176.485 174.700 -0.104 0.000 1.039 75 T CA 1.467 63.480 62.100 -0.144 0.000 1.142 75 T CB -0.314 68.468 68.868 -0.143 0.000 0.866 75 T HN 0.196 nan 8.240 nan 0.000 0.444 76 L N 0.082 121.233 121.223 -0.120 0.000 2.083 76 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 76 L C 2.216 179.109 176.870 0.039 0.000 1.083 76 L CA 1.473 56.332 54.840 0.031 0.000 0.752 76 L CB -1.016 41.157 42.059 0.190 0.000 0.899 76 L HN 0.272 nan 8.230 nan 0.000 0.433 77 Y N -0.079 120.078 120.300 -0.239 0.000 2.165 77 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 77 Y C 2.525 178.255 175.900 -0.283 0.000 1.155 77 Y CA 0.840 58.725 58.100 -0.357 0.000 1.164 77 Y CB -1.584 36.655 38.460 -0.369 0.000 0.978 77 Y HN 0.182 nan 8.280 nan 0.000 0.513 78 G N -0.443 108.346 108.800 -0.018 0.000 2.440 78 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 78 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 78 G C 1.723 176.577 174.900 -0.077 0.000 1.154 78 G CA 1.199 46.262 45.100 -0.062 0.000 0.767 78 G HN 0.335 nan 8.290 nan 0.000 0.552 79 M N -0.438 119.128 119.600 -0.057 0.000 2.175 79 M HA 0.067 4.547 4.480 -0.000 0.000 0.264 79 M C 2.424 178.669 176.300 -0.092 0.000 1.063 79 M CA 0.764 56.026 55.300 -0.064 0.000 1.119 79 M CB -0.390 32.188 32.600 -0.037 0.000 1.377 79 M HN 0.261 nan 8.290 nan 0.000 0.415 80 L N 1.497 122.666 121.223 -0.090 0.000 1.955 80 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 80 L C 1.972 178.758 176.870 -0.140 0.000 1.072 80 L CA 1.993 56.770 54.840 -0.106 0.000 0.755 80 L CB -0.969 41.071 42.059 -0.031 0.000 0.888 80 L HN 0.276 nan 8.230 nan 0.000 0.432 81 N N -0.907 117.680 118.700 -0.190 0.000 2.430 81 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 81 N C 1.574 176.991 175.510 -0.154 0.000 1.032 81 N CA 1.554 54.481 53.050 -0.205 0.000 0.893 81 N CB -0.464 37.852 38.487 -0.285 0.000 0.957 81 N HN 0.490 nan 8.380 nan 0.000 0.442 82 T N 1.395 115.871 114.554 -0.131 0.000 2.962 82 T HA 0.059 4.409 4.350 -0.000 0.000 0.270 82 T C 1.998 176.625 174.700 -0.122 0.000 1.088 82 T CA 0.287 62.321 62.100 -0.111 0.000 1.127 82 T CB 0.013 68.826 68.868 -0.092 0.000 0.883 82 T HN 0.211 nan 8.240 nan 0.000 0.493 83 L N 0.436 121.575 121.223 -0.140 0.000 2.275 83 L HA 0.001 4.341 4.340 -0.000 0.000 0.215 83 L C 2.319 179.072 176.870 -0.194 0.000 1.119 83 L CA 1.039 55.775 54.840 -0.174 0.000 0.790 83 L CB -0.385 41.566 42.059 -0.180 0.000 0.919 83 L HN 0.188 nan 8.230 nan 0.000 0.443 84 K N -0.062 120.242 120.400 -0.158 0.000 2.504 84 K HA -0.048 4.272 4.320 -0.000 0.000 0.195 84 K C 1.365 177.893 176.600 -0.120 0.000 1.036 84 K CA 0.445 56.646 56.287 -0.143 0.000 0.984 84 K CB -0.132 32.293 32.500 -0.125 0.000 0.788 84 K HN 0.502 nan 8.250 nan 0.000 0.488 85 N N 0.744 119.375 118.700 -0.115 0.000 2.092 85 N HA -0.135 4.604 4.740 -0.000 0.000 0.189 85 N C 1.852 177.320 175.510 -0.069 0.000 1.040 85 N CA 0.718 53.719 53.050 -0.082 0.000 0.845 85 N CB -0.001 38.443 38.487 -0.071 0.000 1.017 85 N HN -0.040 nan 8.380 nan 0.000 0.426 86 R N 1.116 121.558 120.500 -0.097 0.000 2.189 86 R HA 0.087 4.427 4.340 -0.000 0.000 0.218 86 R C -0.352 175.920 176.300 -0.047 0.000 1.074 86 R CA 0.661 56.733 56.100 -0.047 0.000 0.991 86 R CB -0.087 30.177 30.300 -0.059 0.000 0.883 86 R HN 0.114 nan 8.270 nan 0.000 0.457 87 N N -0.563 118.028 118.700 -0.182 0.000 2.682 87 N HA 0.242 4.982 4.740 -0.000 0.000 0.252 87 N C -2.411 173.049 175.510 -0.082 0.000 1.081 87 N CA -2.273 50.699 53.050 -0.131 0.000 0.844 87 N CB 1.675 39.918 38.487 -0.406 0.000 1.167 87 N HN -0.181 nan 8.380 nan 0.000 0.523 88 P HA -0.081 nan 4.420 nan 0.000 0.217 88 P C 0.435 177.709 177.300 -0.044 0.000 1.150 88 P CA 1.135 64.214 63.100 -0.035 0.000 0.832 88 P CB 0.156 31.849 31.700 -0.012 0.000 0.787 89 N N -0.940 117.744 118.700 -0.026 0.000 2.521 89 N HA -0.033 4.706 4.740 -0.000 0.000 0.188 89 N C 0.346 175.802 175.510 -0.089 0.000 1.146 89 N CA 0.090 53.115 53.050 -0.042 0.000 0.893 89 N CB -1.050 37.430 38.487 -0.011 0.000 0.975 89 N HN 0.090 nan 8.380 nan 0.000 0.451 90 L N 0.480 121.642 121.223 -0.102 0.000 2.410 90 L HA 0.308 4.647 4.340 -0.000 0.000 0.273 90 L C -0.378 176.393 176.870 -0.164 0.000 1.152 90 L CA -0.039 54.716 54.840 -0.142 0.000 0.855 90 L CB 0.465 42.436 42.059 -0.147 0.000 1.129 90 L HN -0.042 nan 8.230 nan 0.000 0.463 91 K N 2.362 122.618 120.400 -0.241 0.000 2.156 91 K HA 0.738 5.058 4.320 -0.000 0.000 0.250 91 K C -0.610 175.957 176.600 -0.055 0.000 0.955 91 K CA -0.382 55.791 56.287 -0.189 0.000 0.855 91 K CB 1.906 34.196 32.500 -0.350 0.000 1.101 91 K HN 0.769 nan 8.250 nan 0.000 0.434 92 T N -0.600 113.983 114.554 0.049 0.000 2.893 92 T HA 0.786 5.136 4.350 -0.000 0.000 0.293 92 T C -0.917 173.960 174.700 0.296 0.000 1.027 92 T CA -0.900 61.298 62.100 0.164 0.000 0.988 92 T CB 0.733 69.682 68.868 0.135 0.000 1.043 92 T HN 0.170 nan 8.240 nan 0.000 0.461 93 L N 1.625 123.017 121.223 0.281 0.000 2.327 93 L HA 0.774 5.113 4.340 -0.000 0.000 0.258 93 L C -1.150 175.663 176.870 -0.096 0.000 1.024 93 L CA -1.053 53.877 54.840 0.151 0.000 0.825 93 L CB 2.037 44.178 42.059 0.137 0.000 1.386 93 L HN 0.743 nan 8.230 nan 0.000 0.417 94 L N 0.453 121.427 121.223 -0.416 0.000 2.305 94 L HA 0.674 5.014 4.340 -0.000 0.000 0.284 94 L C -0.243 176.586 176.870 -0.069 0.000 1.013 94 L CA 0.188 54.696 54.840 -0.554 0.000 0.819 94 L CB 1.654 43.043 42.059 -1.116 0.000 1.227 94 L HN 0.562 nan 8.230 nan 0.000 0.417 95 S N 3.840 119.622 115.700 0.137 0.000 2.499 95 S HA 0.612 5.082 4.470 -0.000 0.000 0.279 95 S C -0.827 174.033 174.600 0.433 0.000 1.219 95 S CA -0.485 57.916 58.200 0.335 0.000 1.062 95 S CB 1.067 64.590 63.200 0.538 0.000 0.978 95 S HN 0.639 nan 8.310 nan 0.000 0.489 96 V N 5.939 126.070 119.914 0.361 0.000 2.459 96 V HA 0.854 4.974 4.120 -0.000 0.000 0.295 96 V C 0.672 176.897 176.094 0.217 0.000 1.029 96 V CA 1.102 63.598 62.300 0.327 0.000 0.874 96 V CB 0.589 32.596 31.823 0.308 0.000 0.985 96 V HN 1.300 nan 8.190 nan 0.000 0.438 97 G N 4.321 113.178 108.800 0.096 0.000 2.436 97 G HA2 0.491 4.450 3.960 -0.000 0.000 0.205 97 G HA3 0.491 4.450 3.960 -0.000 0.000 0.205 97 G C 0.736 175.254 174.900 -0.637 0.000 1.188 97 G CA 0.236 45.214 45.100 -0.204 0.000 1.267 97 G HN 2.616 nan 8.290 nan 0.000 0.536 98 G N -2.265 105.757 108.800 -1.297 0.000 2.655 98 G HA2 0.049 4.009 3.960 -0.000 0.000 0.680 98 G HA3 0.049 4.009 3.960 -0.000 0.000 0.680 98 G C 0.601 174.904 174.900 -0.995 0.000 1.302 98 G CA 0.513 44.387 45.100 -2.045 0.000 0.872 98 G HN 1.279 nan 8.290 nan 0.000 0.540 99 W N -0.116 120.907 121.300 -0.461 0.000 2.584 99 W HA 0.016 4.676 4.660 -0.000 0.000 0.264 99 W C 1.854 178.298 176.519 -0.126 0.000 1.264 99 W CA 0.996 58.193 57.345 -0.247 0.000 1.306 99 W CB -0.253 29.082 29.460 -0.207 0.000 1.110 99 W HN 0.478 nan 8.180 nan 0.000 0.606 100 N N -0.101 118.639 118.700 0.067 0.000 2.336 100 N HA -0.034 4.705 4.740 -0.000 0.000 0.189 100 N C 1.150 176.842 175.510 0.305 0.000 1.113 100 N CA 0.216 53.365 53.050 0.164 0.000 0.858 100 N CB -0.637 37.972 38.487 0.202 0.000 0.970 100 N HN 0.040 nan 8.380 nan 0.000 0.471 101 F N 1.390 121.392 119.950 0.087 0.000 2.037 101 F HA 0.204 4.731 4.527 -0.000 0.000 0.291 101 F C 1.053 176.913 175.800 0.101 0.000 1.137 101 F CA 1.474 59.583 58.000 0.180 0.000 1.178 101 F CB -0.084 38.956 39.000 0.067 0.000 0.995 101 F HN 0.079 nan 8.300 nan 0.000 0.472 102 G N -0.021 109.046 108.800 0.445 0.000 2.951 102 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.508 102 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.508 102 G C 0.330 175.435 174.900 0.341 0.000 1.203 102 G CA 0.023 45.292 45.100 0.282 0.000 1.209 102 G HN 0.459 nan 8.290 nan 0.000 0.552 103 S N 0.830 116.679 115.700 0.248 0.000 2.365 103 S HA -0.201 4.268 4.470 -0.000 0.000 0.225 103 S C 2.279 177.049 174.600 0.283 0.000 1.039 103 S CA 2.539 60.922 58.200 0.306 0.000 1.033 103 S CB -0.108 63.245 63.200 0.256 0.000 0.887 103 S HN 0.728 nan 8.310 nan 0.000 0.447 104 Q N -0.131 119.784 119.800 0.191 0.000 2.119 104 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 104 Q C 2.630 178.688 176.000 0.097 0.000 0.972 104 Q CA 1.028 56.915 55.803 0.140 0.000 0.847 104 Q CB -0.135 28.659 28.738 0.092 0.000 0.903 104 Q HN 0.452 nan 8.270 nan 0.000 0.433 105 R N -0.222 120.341 120.500 0.106 0.000 2.070 105 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 105 R C 2.123 178.447 176.300 0.040 0.000 1.138 105 R CA 1.290 57.431 56.100 0.068 0.000 0.936 105 R CB -0.419 29.911 30.300 0.050 0.000 0.839 105 R HN 0.211 nan 8.270 nan 0.000 0.429 106 F N 1.043 120.929 119.950 -0.107 0.000 2.154 106 F HA -0.262 4.264 4.527 -0.000 0.000 0.301 106 F C 2.777 178.045 175.800 -0.888 0.000 1.087 106 F CA 1.690 59.239 58.000 -0.751 0.000 1.274 106 F CB -0.494 37.576 39.000 -1.550 0.000 1.009 106 F HN -0.003 nan 8.300 nan 0.000 0.485 107 S N -0.382 115.164 115.700 -0.256 0.000 2.356 107 S HA -0.201 4.269 4.470 -0.000 0.000 0.223 107 S C 2.143 176.717 174.600 -0.044 0.000 1.032 107 S CA 1.461 59.658 58.200 -0.004 0.000 1.005 107 S CB -0.216 63.139 63.200 0.259 0.000 0.867 107 S HN 0.390 nan 8.310 nan 0.000 0.449 108 K N 0.453 120.823 120.400 -0.049 0.000 2.063 108 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 108 K C 2.013 178.551 176.600 -0.103 0.000 1.048 108 K CA 1.794 58.046 56.287 -0.059 0.000 0.928 108 K CB -0.386 32.085 32.500 -0.049 0.000 0.713 108 K HN 0.448 nan 8.250 nan 0.000 0.442 109 I N 0.761 121.233 120.570 -0.163 0.000 2.202 109 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 109 I C 2.446 178.484 176.117 -0.131 0.000 1.091 109 I CA 1.164 62.352 61.300 -0.187 0.000 1.368 109 I CB -0.308 37.480 38.000 -0.354 0.000 1.058 109 I HN 0.132 nan 8.210 nan 0.000 0.410 110 A N 0.314 123.054 122.820 -0.132 0.000 2.067 110 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 110 A C 2.305 179.849 177.584 -0.066 0.000 1.156 110 A CA 1.502 53.536 52.037 -0.005 0.000 0.683 110 A CB -0.512 18.564 19.000 0.128 0.000 0.808 110 A HN 0.503 nan 8.150 nan 0.000 0.455 111 S N -0.497 115.082 115.700 -0.201 0.000 2.575 111 S HA 0.060 4.530 4.470 -0.000 0.000 0.215 111 S C 0.484 174.939 174.600 -0.242 0.000 0.966 111 S CA -0.132 57.771 58.200 -0.494 0.000 0.911 111 S CB -0.268 62.608 63.200 -0.539 0.000 0.780 111 S HN 0.509 nan 8.310 nan 0.000 0.514 112 N N 1.404 120.031 118.700 -0.122 0.000 2.476 112 N HA 0.186 4.926 4.740 -0.000 0.000 0.257 112 N C 0.355 175.845 175.510 -0.034 0.000 0.970 112 N CA 0.037 53.049 53.050 -0.063 0.000 0.938 112 N CB 1.564 40.021 38.487 -0.049 0.000 1.144 112 N HN 0.024 nan 8.380 nan 0.000 0.500 113 T N 3.053 117.597 114.554 -0.017 0.000 2.680 113 T HA -0.232 4.117 4.350 -0.000 0.000 0.268 113 T C 1.396 176.095 174.700 -0.002 0.000 1.033 113 T CA 1.799 63.898 62.100 -0.001 0.000 1.152 113 T CB 0.076 68.948 68.868 0.007 0.000 0.859 113 T HN 0.561 nan 8.240 nan 0.000 0.452 114 Q N 0.734 120.531 119.800 -0.005 0.000 2.046 114 Q HA 0.045 4.384 4.340 -0.000 0.000 0.200 114 Q C 2.790 178.785 176.000 -0.008 0.000 0.975 114 Q CA 1.419 57.220 55.803 -0.005 0.000 0.836 114 Q CB -0.547 28.190 28.738 -0.002 0.000 0.896 114 Q HN 0.424 nan 8.270 nan 0.000 0.428 115 S N 0.442 116.133 115.700 -0.014 0.000 2.368 115 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 115 S C 1.827 176.433 174.600 0.009 0.000 1.030 115 S CA 1.381 59.570 58.200 -0.018 0.000 0.999 115 S CB -0.266 62.909 63.200 -0.042 0.000 0.844 115 S HN 0.335 nan 8.310 nan 0.000 0.459 116 R N 1.304 121.815 120.500 0.017 0.000 2.083 116 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 116 R C 2.440 178.771 176.300 0.051 0.000 1.137 116 R CA 1.694 57.834 56.100 0.067 0.000 0.951 116 R CB -0.203 30.126 30.300 0.048 0.000 0.851 116 R HN 0.151 nan 8.270 nan 0.000 0.434 117 R N 0.286 120.790 120.500 0.007 0.000 2.083 117 R HA -0.075 4.264 4.340 -0.000 0.000 0.237 117 R C 1.978 178.251 176.300 -0.045 0.000 1.137 117 R CA 2.574 58.662 56.100 -0.020 0.000 0.951 117 R CB -1.025 29.265 30.300 -0.017 0.000 0.851 117 R HN 0.279 nan 8.270 nan 0.000 0.434 118 T N 0.945 115.468 114.554 -0.051 0.000 2.684 118 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 118 T C 1.392 175.996 174.700 -0.160 0.000 1.036 118 T CA 1.577 63.593 62.100 -0.139 0.000 1.148 118 T CB -0.527 68.241 68.868 -0.166 0.000 0.863 118 T HN 0.290 nan 8.240 nan 0.000 0.436 119 F N 1.724 121.552 119.950 -0.203 0.000 2.102 119 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 119 F C 1.972 177.713 175.800 -0.097 0.000 1.105 119 F CA 0.728 58.627 58.000 -0.170 0.000 1.239 119 F CB -0.747 38.166 39.000 -0.146 0.000 0.991 119 F HN 0.107 nan 8.300 nan 0.000 0.474 120 I N 0.315 120.671 120.570 -0.356 0.000 2.226 120 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 120 I C 2.594 178.579 176.117 -0.221 0.000 1.100 120 I CA 1.622 62.676 61.300 -0.410 0.000 1.374 120 I CB -0.549 37.314 38.000 -0.229 0.000 1.057 120 I HN 0.130 nan 8.210 nan 0.000 0.413 121 K N 0.840 121.159 120.400 -0.135 0.000 2.057 121 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 121 K C 2.316 178.896 176.600 -0.033 0.000 1.049 121 K CA 1.825 58.075 56.287 -0.061 0.000 0.931 121 K CB -0.074 32.399 32.500 -0.046 0.000 0.714 121 K HN 0.371 nan 8.250 nan 0.000 0.440 122 S N -0.164 115.493 115.700 -0.070 0.000 2.419 122 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 122 S C 1.945 176.588 174.600 0.072 0.000 1.016 122 S CA 1.166 59.389 58.200 0.038 0.000 0.974 122 S CB -0.389 62.834 63.200 0.039 0.000 0.786 122 S HN 0.114 nan 8.310 nan 0.000 0.492 123 V N 3.225 123.111 119.914 -0.046 0.000 2.237 123 V HA -0.062 4.058 4.120 -0.000 0.000 0.245 123 V C -0.146 176.021 176.094 0.123 0.000 1.046 123 V CA 2.008 64.322 62.300 0.024 0.000 1.007 123 V CB -1.784 30.001 31.823 -0.064 0.000 0.638 123 V HN 0.382 nan 8.190 nan 0.000 0.445 124 P HA -0.128 nan 4.420 nan 0.000 0.214 124 P C -1.241 176.083 177.300 0.041 0.000 1.163 124 P CA 2.155 65.249 63.100 -0.011 0.000 0.889 124 P CB -1.363 30.324 31.700 -0.021 0.000 0.790 125 P HA -0.216 nan 4.420 nan 0.000 0.215 125 P C 1.635 179.004 177.300 0.115 0.000 1.153 125 P CA 1.393 64.537 63.100 0.074 0.000 0.853 125 P CB -0.513 31.239 31.700 0.086 0.000 0.788 126 F N 0.817 120.815 119.950 0.080 0.000 2.095 126 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 126 F C 2.362 178.286 175.800 0.207 0.000 1.104 126 F CA 1.477 59.580 58.000 0.172 0.000 1.232 126 F CB -0.925 38.212 39.000 0.229 0.000 0.987 126 F HN -0.289 nan 8.300 nan 0.000 0.475 127 L N -0.376 121.076 121.223 0.382 0.000 2.056 127 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 127 L C 2.722 179.669 176.870 0.128 0.000 1.078 127 L CA 0.899 55.923 54.840 0.307 0.000 0.749 127 L CB -0.668 41.491 42.059 0.166 0.000 0.901 127 L HN 0.030 nan 8.230 nan 0.000 0.433 128 R N -0.246 120.267 120.500 0.022 0.000 2.070 128 R HA -0.109 4.231 4.340 -0.000 0.000 0.233 128 R C 2.226 178.458 176.300 -0.113 0.000 1.137 128 R CA 1.826 57.897 56.100 -0.049 0.000 0.945 128 R CB -1.451 28.816 30.300 -0.056 0.000 0.845 128 R HN 0.291 nan 8.270 nan 0.000 0.430 129 T N 0.916 115.360 114.554 -0.183 0.000 2.778 129 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 129 T C 1.201 175.616 174.700 -0.476 0.000 1.050 129 T CA 1.299 63.186 62.100 -0.355 0.000 1.137 129 T CB -0.191 68.368 68.868 -0.515 0.000 0.860 129 T HN 0.343 nan 8.240 nan 0.000 0.468 130 H N -0.725 118.232 119.070 -0.187 0.000 2.549 130 H HA 0.374 4.930 4.556 -0.000 0.000 0.279 130 H C 1.780 176.859 175.328 -0.415 0.000 1.018 130 H CA 0.440 56.343 56.048 -0.242 0.000 1.175 130 H CB 0.290 29.922 29.762 -0.217 0.000 1.485 130 H HN 0.491 nan 8.280 nan 0.000 0.543 131 G N 0.956 109.621 108.800 -0.225 0.000 2.136 131 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.242 131 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.242 131 G C -0.241 174.456 174.900 -0.339 0.000 0.989 131 G CA -0.245 44.682 45.100 -0.288 0.000 0.682 131 G HN 0.160 nan 8.290 nan 0.000 0.522 132 F N 0.854 120.751 119.950 -0.088 0.000 2.385 132 F HA 0.461 4.988 4.527 -0.000 0.000 0.336 132 F C 1.230 176.990 175.800 -0.066 0.000 1.100 132 F CA -0.815 57.138 58.000 -0.078 0.000 1.116 132 F CB 1.074 40.031 39.000 -0.072 0.000 1.166 132 F HN -0.038 nan 8.300 nan 0.000 0.511 133 D N 1.175 121.678 120.400 0.173 0.000 2.350 133 D HA 0.235 4.875 4.640 -0.000 0.000 0.213 133 D C 0.820 177.156 176.300 0.060 0.000 1.031 133 D CA 0.492 54.535 54.000 0.072 0.000 0.861 133 D CB 0.707 41.539 40.800 0.054 0.000 0.926 133 D HN 0.650 nan 8.370 nan 0.000 0.520 134 G N 0.308 109.166 108.800 0.097 0.000 2.451 134 G HA2 0.412 4.371 3.960 -0.000 0.000 0.292 134 G HA3 0.412 4.371 3.960 -0.000 0.000 0.292 134 G C -2.252 172.698 174.900 0.083 0.000 1.427 134 G CA -0.768 44.376 45.100 0.073 0.000 0.792 134 G HN 0.048 nan 8.290 nan 0.000 0.498 135 L N 0.314 121.638 121.223 0.168 0.000 2.346 135 L HA 0.829 5.168 4.340 -0.000 0.000 0.276 135 L C -1.171 175.765 176.870 0.109 0.000 1.006 135 L CA -0.649 54.284 54.840 0.155 0.000 0.817 135 L CB 2.124 44.358 42.059 0.291 0.000 1.272 135 L HN 0.587 nan 8.230 nan 0.000 0.421 136 D N 3.817 124.280 120.400 0.105 0.000 2.344 136 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 136 D C -1.202 175.198 176.300 0.167 0.000 1.064 136 D CA -0.135 53.927 54.000 0.103 0.000 0.829 136 D CB 0.979 41.877 40.800 0.164 0.000 1.129 136 D HN 0.532 nan 8.370 nan 0.000 0.506 137 L N 3.079 124.378 121.223 0.127 0.000 2.281 137 L HA 0.600 4.940 4.340 -0.000 0.000 0.285 137 L C 0.353 177.293 176.870 0.116 0.000 1.074 137 L CA -0.630 54.310 54.840 0.167 0.000 0.817 137 L CB 1.495 43.658 42.059 0.172 0.000 1.168 137 L HN 0.604 nan 8.230 nan 0.000 0.434 138 A N 3.971 126.811 122.820 0.034 0.000 3.248 138 A HA 0.177 4.496 4.320 -0.000 0.000 0.315 138 A C -0.973 176.367 177.584 -0.406 0.000 0.974 138 A CA -0.447 51.497 52.037 -0.154 0.000 0.939 138 A CB -0.045 18.889 19.000 -0.111 0.000 1.061 138 A HN 0.703 nan 8.150 nan 0.000 0.481 139 W N 3.023 123.889 121.300 -0.722 0.000 2.433 139 W HA 0.521 5.181 4.660 -0.000 0.000 0.331 139 W C -1.347 174.694 176.519 -0.797 0.000 1.110 139 W CA -1.085 55.610 57.345 -1.084 0.000 1.450 139 W CB 0.218 28.872 29.460 -1.342 0.000 1.348 139 W HN 0.341 nan 8.180 nan 0.000 0.415 140 L N 9.007 129.896 121.223 -0.556 0.000 2.335 140 L HA 0.342 4.682 4.340 -0.000 0.000 0.268 140 L C -1.090 175.444 176.870 -0.560 0.000 1.037 140 L CA -0.601 53.542 54.840 -1.161 0.000 0.895 140 L CB -0.286 40.867 42.059 -1.509 0.000 1.266 140 L HN 0.230 nan 8.230 nan 0.000 0.439 141 Y N 1.223 121.445 120.300 -0.130 0.000 2.615 141 Y HA 0.497 5.047 4.550 -0.000 0.000 0.341 141 Y C -2.429 173.073 175.900 -0.662 0.000 1.089 141 Y CA -2.691 55.154 58.100 -0.426 0.000 1.049 141 Y CB 1.684 39.929 38.460 -0.358 0.000 1.296 141 Y HN 0.282 nan 8.280 nan 0.000 0.470 142 P HA 0.136 nan 4.420 nan 0.000 0.268 142 P C 0.010 177.005 177.300 -0.508 0.000 1.205 142 P CA 0.128 62.509 63.100 -1.199 0.000 0.771 142 P CB 0.664 31.373 31.700 -1.653 0.000 0.858 143 G N 2.052 110.717 108.800 -0.225 0.000 2.543 143 G HA2 0.111 4.071 3.960 -0.000 0.000 0.290 143 G HA3 0.111 4.071 3.960 -0.000 0.000 0.290 143 G C 0.889 175.689 174.900 -0.166 0.000 1.310 143 G CA -0.529 44.485 45.100 -0.143 0.000 1.025 143 G HN 0.349 nan 8.290 nan 0.000 0.502 144 R N -0.255 120.170 120.500 -0.125 0.000 2.105 144 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 144 R C 2.536 178.786 176.300 -0.084 0.000 1.135 144 R CA 1.375 57.404 56.100 -0.118 0.000 0.967 144 R CB -0.082 30.165 30.300 -0.089 0.000 0.861 144 R HN 0.503 nan 8.270 nan 0.000 0.442 145 R N 0.593 121.073 120.500 -0.034 0.000 2.339 145 R HA -0.038 4.302 4.340 -0.000 0.000 0.199 145 R C -0.209 176.108 176.300 0.028 0.000 1.018 145 R CA 1.005 57.105 56.100 0.001 0.000 1.036 145 R CB -0.081 30.252 30.300 0.056 0.000 0.899 145 R HN 0.190 nan 8.270 nan 0.000 0.473 146 D N 0.807 121.212 120.400 0.009 0.000 2.431 146 D HA 0.033 4.673 4.640 -0.000 0.000 0.213 146 D C 1.222 177.501 176.300 -0.035 0.000 1.130 146 D CA -0.094 53.958 54.000 0.086 0.000 0.834 146 D CB 0.538 41.400 40.800 0.103 0.000 0.985 146 D HN 0.301 nan 8.370 nan 0.000 0.504 147 K N 0.981 121.320 120.400 -0.102 0.000 2.009 147 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 147 K C 1.771 178.390 176.600 0.032 0.000 1.049 147 K CA 1.230 57.486 56.287 -0.052 0.000 0.929 147 K CB 0.329 32.785 32.500 -0.074 0.000 0.714 147 K HN -0.164 nan 8.250 nan 0.000 0.440 148 Q N 0.257 120.021 119.800 -0.059 0.000 2.084 148 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 148 Q C 1.978 178.023 176.000 0.074 0.000 0.978 148 Q CA 1.795 57.575 55.803 -0.037 0.000 0.844 148 Q CB -0.698 27.961 28.738 -0.131 0.000 0.898 148 Q HN 0.631 nan 8.270 nan 0.000 0.426 149 H N -1.254 117.912 119.070 0.159 0.000 2.352 149 H HA -0.144 4.411 4.556 -0.000 0.000 0.299 149 H C 1.680 177.206 175.328 0.329 0.000 1.097 149 H CA 1.084 57.270 56.048 0.231 0.000 1.311 149 H CB -0.116 29.820 29.762 0.290 0.000 1.377 149 H HN 0.156 nan 8.280 nan 0.000 0.504 150 F N 1.384 121.477 119.950 0.239 0.000 2.146 150 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 150 F C 2.255 178.133 175.800 0.130 0.000 1.096 150 F CA 1.442 59.548 58.000 0.176 0.000 1.275 150 F CB -0.546 38.402 39.000 -0.086 0.000 1.008 150 F HN -0.036 nan 8.300 nan 0.000 0.480 151 T N -0.682 113.946 114.554 0.122 0.000 2.708 151 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 151 T C 1.921 176.613 174.700 -0.014 0.000 1.037 151 T CA 2.095 64.195 62.100 -0.001 0.000 1.146 151 T CB -0.681 68.220 68.868 0.055 0.000 0.865 151 T HN 0.266 nan 8.240 nan 0.000 0.435 152 T N 2.420 117.009 114.554 0.058 0.000 2.708 152 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 152 T C 1.917 176.621 174.700 0.006 0.000 1.037 152 T CA 0.977 63.103 62.100 0.043 0.000 1.146 152 T CB -0.511 68.423 68.868 0.109 0.000 0.865 152 T HN 0.148 nan 8.240 nan 0.000 0.435 153 L N 0.953 122.213 121.223 0.062 0.000 2.042 153 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 153 L C 2.120 178.931 176.870 -0.098 0.000 1.076 153 L CA 1.636 56.506 54.840 0.050 0.000 0.749 153 L CB -0.566 41.622 42.059 0.216 0.000 0.893 153 L HN 0.282 nan 8.230 nan 0.000 0.432 154 I N -0.744 119.700 120.570 -0.211 0.000 2.353 154 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 154 I C 2.562 178.515 176.117 -0.273 0.000 1.119 154 I CA 1.308 62.437 61.300 -0.285 0.000 1.417 154 I CB -0.351 37.419 38.000 -0.384 0.000 1.078 154 I HN 0.326 nan 8.210 nan 0.000 0.421 155 K N 1.268 121.514 120.400 -0.256 0.000 2.025 155 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 155 K C 1.902 178.282 176.600 -0.366 0.000 1.049 155 K CA 1.570 57.584 56.287 -0.455 0.000 0.933 155 K CB 0.018 32.315 32.500 -0.339 0.000 0.714 155 K HN 0.328 nan 8.250 nan 0.000 0.438 156 E N 0.168 120.229 120.200 -0.231 0.000 2.150 156 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 156 E C 1.937 178.395 176.600 -0.238 0.000 0.985 156 E CA 1.072 57.361 56.400 -0.186 0.000 0.814 156 E CB -0.092 29.542 29.700 -0.109 0.000 0.752 156 E HN 0.254 nan 8.360 nan 0.000 0.466 157 M N 1.380 120.797 119.600 -0.306 0.000 2.175 157 M HA -0.127 4.352 4.480 -0.000 0.000 0.264 157 M C 1.990 177.864 176.300 -0.711 0.000 1.063 157 M CA 1.520 56.527 55.300 -0.489 0.000 1.119 157 M CB 0.107 32.406 32.600 -0.502 0.000 1.377 157 M HN -0.207 nan 8.290 nan 0.000 0.415 158 K N 0.265 120.354 120.400 -0.517 0.000 2.103 158 K HA 0.137 4.456 4.320 -0.000 0.000 0.204 158 K C 1.796 178.283 176.600 -0.189 0.000 1.052 158 K CA 1.670 57.727 56.287 -0.383 0.000 0.945 158 K CB -0.782 31.573 32.500 -0.241 0.000 0.722 158 K HN 0.341 nan 8.250 nan 0.000 0.443 159 A N 0.741 123.441 122.820 -0.201 0.000 1.883 159 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 159 A C 2.145 179.708 177.584 -0.035 0.000 1.186 159 A CA 2.065 54.038 52.037 -0.106 0.000 0.624 159 A CB -0.784 18.142 19.000 -0.124 0.000 0.822 159 A HN 0.490 nan 8.150 nan 0.000 0.444 160 E N -0.558 119.609 120.200 -0.054 0.000 2.085 160 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 160 E C 1.582 178.307 176.600 0.209 0.000 0.994 160 E CA 1.425 57.850 56.400 0.042 0.000 0.801 160 E CB -0.460 29.247 29.700 0.013 0.000 0.743 160 E HN 0.503 nan 8.360 nan 0.000 0.453 161 F N 0.376 120.293 119.950 -0.055 0.000 2.134 161 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 161 F C 2.280 178.067 175.800 -0.021 0.000 1.097 161 F CA 0.741 58.720 58.000 -0.035 0.000 1.264 161 F CB -0.810 38.170 39.000 -0.033 0.000 1.001 161 F HN 0.097 nan 8.300 nan 0.000 0.479 162 I N -0.073 120.605 120.570 0.180 0.000 2.179 162 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 162 I C 2.588 178.742 176.117 0.063 0.000 1.088 162 I CA 1.480 62.836 61.300 0.094 0.000 1.357 162 I CB -0.492 37.543 38.000 0.058 0.000 1.051 162 I HN 0.068 nan 8.210 nan 0.000 0.409 163 K N 1.063 121.497 120.400 0.056 0.000 2.009 163 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 163 K C 2.185 178.805 176.600 0.034 0.000 1.049 163 K CA 1.802 58.111 56.287 0.036 0.000 0.929 163 K CB -0.240 32.276 32.500 0.028 0.000 0.714 163 K HN 0.167 nan 8.250 nan 0.000 0.440 164 E N 0.982 121.211 120.200 0.047 0.000 2.204 164 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 164 E C 0.460 177.060 176.600 0.000 0.000 0.990 164 E CA 0.758 57.171 56.400 0.022 0.000 0.821 164 E CB -0.161 29.552 29.700 0.021 0.000 0.750 164 E HN 0.430 nan 8.360 nan 0.000 0.477 170 K N 2.171 122.555 120.400 -0.026 0.000 2.401 170 K HA 0.001 4.321 4.320 -0.000 0.000 0.278 170 K C -0.229 176.354 176.600 -0.029 0.000 1.018 170 K CA -0.022 56.254 56.287 -0.019 0.000 0.981 170 K CB 0.889 33.380 32.500 -0.015 0.000 0.933 170 K HN 0.596 nan 8.250 nan 0.000 0.477 171 Q N 3.323 123.117 119.800 -0.011 0.000 2.349 171 Q HA -0.005 4.335 4.340 -0.000 0.000 0.287 171 Q C -0.608 175.366 176.000 -0.044 0.000 1.044 171 Q CA -0.003 55.792 55.803 -0.014 0.000 0.918 171 Q CB 0.544 29.304 28.738 0.037 0.000 1.242 171 Q HN 0.495 nan 8.270 nan 0.000 0.405 172 L N 4.043 125.169 121.223 -0.162 0.000 2.439 172 L HA 0.156 4.496 4.340 -0.000 0.000 0.269 172 L C -0.029 176.825 176.870 -0.028 0.000 1.179 172 L CA -0.265 54.412 54.840 -0.272 0.000 0.828 172 L CB 0.332 41.874 42.059 -0.861 0.000 1.106 172 L HN 0.593 nan 8.230 nan 0.000 0.467 173 L N 3.191 124.452 121.223 0.063 0.000 2.375 173 L HA 0.405 4.745 4.340 -0.000 0.000 0.271 173 L C -0.498 176.538 176.870 0.276 0.000 1.107 173 L CA -0.466 54.487 54.840 0.188 0.000 0.806 173 L CB 1.366 43.553 42.059 0.213 0.000 1.146 173 L HN 0.372 nan 8.230 nan 0.000 0.447 174 L N 2.778 124.110 121.223 0.182 0.000 2.404 174 L HA 0.539 4.879 4.340 -0.000 0.000 0.272 174 L C -0.206 176.554 176.870 -0.184 0.000 0.980 174 L CA 0.190 55.075 54.840 0.075 0.000 0.836 174 L CB 1.651 43.695 42.059 -0.025 0.000 1.238 174 L HN 0.730 nan 8.230 nan 0.000 0.408 175 S N 3.496 119.013 115.700 -0.305 0.000 2.745 175 S HA 1.051 5.521 4.470 -0.000 0.000 0.306 175 S C -0.624 173.823 174.600 -0.255 0.000 1.137 175 S CA -0.269 57.584 58.200 -0.578 0.000 0.900 175 S CB 1.920 64.305 63.200 -1.359 0.000 1.176 175 S HN 1.226 nan 8.310 nan 0.000 0.520 176 A N -0.215 122.490 122.820 -0.191 0.000 2.547 176 A HA 0.847 5.167 4.320 -0.000 0.000 0.297 176 A C -0.728 176.882 177.584 0.043 0.000 1.056 176 A CA -0.476 51.546 52.037 -0.025 0.000 0.688 176 A CB 1.130 20.115 19.000 -0.024 0.000 1.282 176 A HN 1.774 nan 8.150 nan 0.000 0.400 177 A N 2.115 124.995 122.820 0.101 0.000 2.249 177 A HA 0.695 5.015 4.320 -0.000 0.000 0.314 177 A C -0.538 177.067 177.584 0.035 0.000 1.290 177 A CA -0.241 51.871 52.037 0.125 0.000 0.893 177 A CB -0.103 18.991 19.000 0.156 0.000 1.165 177 A HN 0.814 nan 8.150 nan 0.000 0.530 178 L N 1.888 123.111 121.223 -0.001 0.000 2.334 178 L HA 0.508 4.848 4.340 -0.000 0.000 0.273 178 L C 0.880 177.805 176.870 0.091 0.000 1.013 178 L CA -0.757 54.038 54.840 -0.075 0.000 0.816 178 L CB 1.937 43.744 42.059 -0.420 0.000 1.278 178 L HN 0.706 nan 8.230 nan 0.000 0.431 179 S N 0.907 116.753 115.700 0.244 0.000 2.573 179 S HA 0.276 4.746 4.470 -0.000 0.000 0.277 179 S C 0.788 175.396 174.600 0.014 0.000 1.346 179 S CA 0.236 58.432 58.200 -0.006 0.000 1.034 179 S CB 1.193 64.100 63.200 -0.489 0.000 0.879 179 S HN 0.731 nan 8.310 nan 0.000 0.528 180 A N 3.387 126.152 122.820 -0.092 0.000 2.387 180 A HA 0.462 4.781 4.320 -0.000 0.000 0.234 180 A C 0.929 178.611 177.584 0.163 0.000 1.253 180 A CA 0.178 52.237 52.037 0.037 0.000 0.894 180 A CB -0.428 18.527 19.000 -0.075 0.000 0.963 180 A HN 0.941 nan 8.150 nan 0.000 0.508 181 G N -0.176 108.634 108.800 0.016 0.000 2.339 181 G HA2 0.346 4.306 3.960 -0.000 0.000 0.287 181 G HA3 0.346 4.306 3.960 -0.000 0.000 0.287 181 G C 0.647 175.527 174.900 -0.033 0.000 1.163 181 G CA -0.153 44.963 45.100 0.025 0.000 0.872 181 G HN 0.363 nan 8.290 nan 0.000 0.464 182 K N 2.239 122.596 120.400 -0.072 0.000 2.044 182 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 182 K C 2.333 178.796 176.600 -0.228 0.000 1.049 182 K CA 1.683 57.831 56.287 -0.232 0.000 0.927 182 K CB -0.132 31.958 32.500 -0.683 0.000 0.713 182 K HN 0.347 nan 8.250 nan 0.000 0.443 183 V N 0.820 120.575 119.914 -0.266 0.000 2.287 183 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 183 V C 2.232 178.180 176.094 -0.242 0.000 1.053 183 V CA 2.375 64.531 62.300 -0.239 0.000 1.027 183 V CB -0.657 31.034 31.823 -0.220 0.000 0.646 183 V HN 0.502 nan 8.190 nan 0.000 0.447 184 T N 0.053 114.435 114.554 -0.287 0.000 2.777 184 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 184 T C 1.821 176.220 174.700 -0.501 0.000 1.040 184 T CA 1.615 63.462 62.100 -0.421 0.000 1.141 184 T CB -0.262 68.276 68.868 -0.549 0.000 0.868 184 T HN 0.333 nan 8.240 nan 0.000 0.444 185 I N 1.292 121.700 120.570 -0.270 0.000 2.179 185 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 185 I C 2.296 178.341 176.117 -0.120 0.000 1.088 185 I CA 1.237 62.474 61.300 -0.105 0.000 1.357 185 I CB -0.311 37.834 38.000 0.241 0.000 1.051 185 I HN 0.136 nan 8.210 nan 0.000 0.409 186 D N 0.228 120.589 120.400 -0.065 0.000 2.144 186 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 186 D C 2.393 178.612 176.300 -0.135 0.000 0.978 186 D CA 1.836 55.806 54.000 -0.051 0.000 0.833 186 D CB -0.167 40.607 40.800 -0.043 0.000 0.961 186 D HN 0.377 nan 8.370 nan 0.000 0.470 187 S N -0.639 114.932 115.700 -0.215 0.000 2.406 187 S HA 0.017 4.486 4.470 -0.000 0.000 0.224 187 S C 1.993 176.414 174.600 -0.298 0.000 1.030 187 S CA 0.735 58.800 58.200 -0.226 0.000 0.958 187 S CB 0.113 63.178 63.200 -0.225 0.000 0.811 187 S HN 0.016 nan 8.310 nan 0.000 0.489 188 S N -0.087 115.316 115.700 -0.496 0.000 2.497 188 S HA 0.369 4.838 4.470 -0.000 0.000 0.221 188 S C -0.622 173.691 174.600 -0.478 0.000 1.037 188 S CA -0.225 57.574 58.200 -0.669 0.000 0.920 188 S CB -0.073 62.444 63.200 -1.139 0.000 0.800 188 S HN 0.596 nan 8.310 nan 0.000 0.505 189 Y N 1.507 121.739 120.300 -0.113 0.000 2.393 189 Y HA 0.537 5.086 4.550 -0.000 0.000 0.341 189 Y C -0.321 175.576 175.900 -0.006 0.000 0.988 189 Y CA -2.484 55.609 58.100 -0.011 0.000 1.078 189 Y CB 0.545 39.009 38.460 0.006 0.000 1.203 189 Y HN -0.097 nan 8.280 nan 0.000 0.453 190 D N 3.726 124.245 120.400 0.197 0.000 2.524 190 D HA 0.160 4.800 4.640 -0.000 0.000 0.222 190 D C 0.956 177.294 176.300 0.064 0.000 1.142 190 D CA 0.005 54.054 54.000 0.083 0.000 0.973 190 D CB 0.351 41.185 40.800 0.057 0.000 1.025 190 D HN 0.445 nan 8.370 nan 0.000 0.519 191 I N 2.179 122.776 120.570 0.046 0.000 2.194 191 I HA -0.278 3.892 4.170 -0.000 0.000 0.246 191 I C 2.316 178.407 176.117 -0.043 0.000 1.093 191 I CA 0.943 62.240 61.300 -0.005 0.000 1.355 191 I CB -1.303 36.672 38.000 -0.041 0.000 1.046 191 I HN 0.354 nan 8.210 nan 0.000 0.413 192 A N 0.870 123.660 122.820 -0.050 0.000 1.883 192 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 192 A C 2.401 179.937 177.584 -0.080 0.000 1.186 192 A CA 1.667 53.666 52.037 -0.064 0.000 0.624 192 A CB -0.452 18.513 19.000 -0.058 0.000 0.822 192 A HN 0.380 nan 8.150 nan 0.000 0.444 193 K N -0.164 120.200 120.400 -0.060 0.000 2.001 193 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 193 K C 2.021 178.555 176.600 -0.110 0.000 1.048 193 K CA 1.581 57.822 56.287 -0.078 0.000 0.932 193 K CB -0.570 31.922 32.500 -0.014 0.000 0.715 193 K HN 0.758 nan 8.250 nan 0.000 0.437 194 I N 0.080 120.617 120.570 -0.056 0.000 2.454 194 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 194 I C 2.146 178.198 176.117 -0.108 0.000 1.156 194 I CA 1.753 63.011 61.300 -0.071 0.000 1.433 194 I CB -0.598 37.340 38.000 -0.103 0.000 1.082 194 I HN 0.005 nan 8.210 nan 0.000 0.432 195 S N 0.579 116.213 115.700 -0.110 0.000 2.515 195 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 195 S C 1.809 176.330 174.600 -0.131 0.000 0.987 195 S CA 0.608 58.749 58.200 -0.099 0.000 0.936 195 S CB -0.429 62.728 63.200 -0.072 0.000 0.766 195 S HN 0.676 nan 8.310 nan 0.000 0.528 196 Q N 0.088 119.740 119.800 -0.246 0.000 2.187 196 Q HA -0.002 4.337 4.340 -0.000 0.000 0.199 196 Q C 1.629 177.445 176.000 -0.306 0.000 0.957 196 Q CA 1.131 56.742 55.803 -0.320 0.000 0.857 196 Q CB -0.181 28.255 28.738 -0.503 0.000 0.929 196 Q HN 0.721 nan 8.270 nan 0.000 0.453 197 H N -0.359 118.674 119.070 -0.062 0.000 2.547 197 H HA 0.184 4.740 4.556 -0.000 0.000 0.272 197 H C 0.615 175.893 175.328 -0.083 0.000 0.971 197 H CA 0.223 56.226 56.048 -0.075 0.000 1.245 197 H CB 0.330 30.027 29.762 -0.108 0.000 1.440 197 H HN 0.109 nan 8.280 nan 0.000 0.540 198 L N 1.584 122.804 121.223 -0.004 0.000 2.395 198 L HA 0.045 4.385 4.340 -0.000 0.000 0.269 198 L C 1.216 178.081 176.870 -0.009 0.000 1.133 198 L CA -0.244 54.565 54.840 -0.051 0.000 0.812 198 L CB 0.995 42.995 42.059 -0.099 0.000 1.125 198 L HN 0.020 nan 8.230 nan 0.000 0.452 199 D N 1.732 122.126 120.400 -0.011 0.000 2.234 199 D HA 0.033 4.673 4.640 -0.000 0.000 0.205 199 D C -0.182 176.261 176.300 0.239 0.000 0.962 199 D CA 1.255 55.321 54.000 0.111 0.000 0.855 199 D CB 0.361 41.262 40.800 0.167 0.000 0.951 199 D HN 0.353 nan 8.370 nan 0.000 0.500 200 F N -1.273 118.686 119.950 0.015 0.000 2.725 200 F HA 0.487 5.014 4.527 -0.000 0.000 0.309 200 F C -1.794 174.012 175.800 0.009 0.000 1.132 200 F CA -1.326 56.675 58.000 0.001 0.000 0.957 200 F CB 0.844 39.831 39.000 -0.023 0.000 1.286 200 F HN -0.388 nan 8.300 nan 0.000 0.440 201 I N 2.133 122.841 120.570 0.231 0.000 2.433 201 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 201 I C -0.576 175.691 176.117 0.250 0.000 1.001 201 I CA -0.762 60.612 61.300 0.122 0.000 1.119 201 I CB 2.166 40.190 38.000 0.040 0.000 1.289 201 I HN 0.653 nan 8.210 nan 0.000 0.438 202 S N 6.876 122.728 115.700 0.253 0.000 2.420 202 S HA 0.459 4.929 4.470 -0.000 0.000 0.313 202 S C -0.298 174.410 174.600 0.180 0.000 1.079 202 S CA -0.427 57.951 58.200 0.297 0.000 1.104 202 S CB 0.747 64.212 63.200 0.442 0.000 0.969 202 S HN 0.447 nan 8.310 nan 0.000 0.471 203 I N 4.136 124.788 120.570 0.137 0.000 2.342 203 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 203 I C -0.088 176.027 176.117 -0.004 0.000 1.010 203 I CA -0.806 60.532 61.300 0.063 0.000 1.308 203 I CB 0.722 38.765 38.000 0.072 0.000 1.400 203 I HN 0.625 nan 8.210 nan 0.000 0.488 204 M N 7.239 126.755 119.600 -0.139 0.000 3.596 204 M HA 0.094 4.574 4.480 -0.000 0.000 0.219 204 M C 0.458 176.248 176.300 -0.849 0.000 1.471 204 M CA -0.116 54.861 55.300 -0.539 0.000 1.644 204 M CB -0.633 31.703 32.600 -0.440 0.000 1.083 204 M HN 0.574 nan 8.290 nan 0.000 0.579 205 T N 0.095 114.346 114.554 -0.504 0.000 4.508 205 T HA 0.276 4.626 4.350 -0.000 0.000 0.232 205 T C -0.556 173.997 174.700 -0.246 0.000 1.027 205 T CA -0.256 61.661 62.100 -0.305 0.000 0.999 205 T CB -1.181 67.747 68.868 0.099 0.000 1.402 205 T HN 0.528 nan 8.240 nan 0.000 1.003 206 Y N -3.023 117.059 120.300 -0.364 0.000 2.779 206 Y HA 0.516 5.065 4.550 -0.000 0.000 0.340 206 Y C -0.373 175.472 175.900 -0.092 0.000 1.252 206 Y CA -1.916 56.100 58.100 -0.139 0.000 1.072 206 Y CB 0.077 38.559 38.460 0.037 0.000 1.343 206 Y HN 0.134 nan 8.280 nan 0.000 0.450 207 D N -0.199 120.575 120.400 0.623 0.000 2.870 207 D HA -0.197 4.442 4.640 -0.000 0.000 0.228 207 D C -0.822 175.594 176.300 0.194 0.000 1.147 207 D CA 1.010 55.245 54.000 0.391 0.000 0.757 207 D CB -1.094 39.889 40.800 0.304 0.000 1.091 207 D HN 0.409 nan 8.370 nan 0.000 0.429 208 F N 0.280 120.380 119.950 0.251 0.000 2.406 208 F HA 0.147 4.674 4.527 -0.000 0.000 0.327 208 F C 1.923 177.844 175.800 0.201 0.000 1.153 208 F CA 0.159 58.279 58.000 0.200 0.000 1.218 208 F CB 0.462 39.531 39.000 0.115 0.000 1.215 208 F HN -0.026 nan 8.300 nan 0.000 0.570 209 H N 1.726 120.960 119.070 0.273 0.000 3.014 209 H HA 0.140 4.696 4.556 -0.000 0.000 0.266 209 H C 0.877 176.251 175.328 0.076 0.000 1.455 209 H CA 0.066 56.202 56.048 0.146 0.000 1.402 209 H CB 0.273 30.082 29.762 0.078 0.000 1.626 209 H HN 0.879 nan 8.280 nan 0.000 0.520 210 G N 1.970 110.862 108.800 0.155 0.000 3.314 210 G HA2 0.331 4.291 3.960 -0.000 0.000 0.238 210 G HA3 0.331 4.291 3.960 -0.000 0.000 0.238 210 G C 0.346 175.191 174.900 -0.090 0.000 1.184 210 G CA 0.066 45.187 45.100 0.035 0.000 0.806 210 G HN 0.555 nan 8.290 nan 0.000 0.536 211 A N -0.636 122.112 122.820 -0.120 0.000 2.498 211 A HA 0.679 4.999 4.320 -0.000 0.000 0.298 211 A C -1.039 176.441 177.584 -0.174 0.000 1.075 211 A CA -1.001 50.909 52.037 -0.210 0.000 0.714 211 A CB 1.102 19.945 19.000 -0.262 0.000 1.299 211 A HN 0.240 nan 8.150 nan 0.000 0.407 212 W N 1.094 122.319 121.300 -0.125 0.000 2.148 212 W HA 0.375 5.035 4.660 -0.000 0.000 0.347 212 W C 1.293 177.745 176.519 -0.113 0.000 1.288 212 W CA 0.164 57.448 57.345 -0.101 0.000 1.252 212 W CB 0.491 29.885 29.460 -0.111 0.000 1.156 212 W HN 0.768 nan 8.180 nan 0.000 0.580 213 R N 1.792 122.414 120.500 0.203 0.000 2.537 213 R HA 0.180 4.520 4.340 -0.000 0.000 0.281 213 R C 1.165 177.477 176.300 0.020 0.000 0.988 213 R CA 1.265 57.414 56.100 0.083 0.000 1.077 213 R CB -0.174 30.175 30.300 0.081 0.000 0.932 213 R HN 0.903 nan 8.270 nan 0.000 0.409 214 G N 2.542 111.323 108.800 -0.032 0.000 2.153 214 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.252 214 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.252 214 G C -0.046 174.767 174.900 -0.145 0.000 0.994 214 G CA 0.645 45.702 45.100 -0.071 0.000 0.698 214 G HN 0.926 nan 8.290 nan 0.000 0.521 215 T N -3.026 111.395 114.554 -0.221 0.000 2.838 215 T HA 0.779 5.128 4.350 -0.000 0.000 0.292 215 T C 0.213 174.492 174.700 -0.701 0.000 1.113 215 T CA 0.424 62.318 62.100 -0.345 0.000 1.008 215 T CB 1.805 70.565 68.868 -0.180 0.000 1.259 215 T HN 1.274 nan 8.240 nan 0.000 0.520 216 T N -1.430 112.582 114.554 -0.904 0.000 2.904 216 T HA 0.690 5.040 4.350 -0.000 0.000 0.290 216 T C 0.457 174.559 174.700 -0.996 0.000 1.018 216 T CA -0.224 60.958 62.100 -1.530 0.000 1.075 216 T CB 0.656 68.265 68.868 -2.099 0.000 0.986 216 T HN 1.498 nan 8.240 nan 0.000 0.523 217 G N 0.387 108.700 108.800 -0.812 0.000 2.655 217 G HA2 0.366 4.326 3.960 -0.000 0.000 0.296 217 G HA3 0.366 4.326 3.960 -0.000 0.000 0.296 217 G C -1.521 173.562 174.900 0.305 0.000 1.485 217 G CA -0.841 44.164 45.100 -0.158 0.000 0.869 217 G HN 0.984 nan 8.290 nan 0.000 0.540 218 H N 0.601 119.879 119.070 0.345 0.000 2.722 218 H HA 0.130 4.685 4.556 -0.000 0.000 0.328 218 H C 1.441 176.957 175.328 0.314 0.000 1.067 218 H CA 0.615 56.911 56.048 0.414 0.000 1.447 218 H CB 1.153 31.083 29.762 0.279 0.000 1.469 218 H HN 0.834 nan 8.280 nan 0.000 0.544 219 H N 1.284 120.501 119.070 0.245 0.000 2.551 219 H HA 0.134 4.689 4.556 -0.000 0.000 0.266 219 H C 0.255 175.860 175.328 0.461 0.000 0.977 219 H CA 0.412 56.640 56.048 0.300 0.000 1.163 219 H CB 0.600 30.458 29.762 0.159 0.000 1.381 219 H HN 0.248 nan 8.280 nan 0.000 0.581 220 S N 1.708 117.435 115.700 0.044 0.000 2.539 220 S HA 0.249 4.718 4.470 -0.000 0.000 0.185 220 S C -2.926 171.678 174.600 0.006 0.000 1.181 220 S CA -1.206 57.001 58.200 0.012 0.000 1.216 220 S CB 0.173 63.123 63.200 -0.417 0.000 1.476 220 S HN 0.259 nan 8.310 nan 0.000 0.395 221 P HA 0.192 nan 4.420 nan 0.000 0.277 221 P C 0.800 177.939 177.300 -0.268 0.000 1.240 221 P CA -0.593 62.364 63.100 -0.237 0.000 0.798 221 P CB 1.112 32.712 31.700 -0.166 0.000 0.979 222 L N 1.865 122.883 121.223 -0.341 0.000 2.102 222 L HA 0.240 4.579 4.340 -0.000 0.000 0.202 222 L C 0.466 176.831 176.870 -0.841 0.000 1.076 222 L CA 1.703 56.177 54.840 -0.610 0.000 0.761 222 L CB -0.634 41.038 42.059 -0.646 0.000 0.921 222 L HN 0.221 nan 8.230 nan 0.000 0.444 223 F N -1.877 117.944 119.950 -0.215 0.000 2.594 223 F HA 0.458 4.985 4.527 -0.000 0.000 0.335 223 F C 1.604 177.307 175.800 -0.162 0.000 1.058 223 F CA -0.829 57.069 58.000 -0.169 0.000 0.981 223 F CB 0.421 39.353 39.000 -0.115 0.000 1.289 223 F HN -0.332 nan 8.300 nan 0.000 0.490 224 R N 0.856 121.403 120.500 0.077 0.000 2.081 224 R HA 0.078 4.417 4.340 -0.000 0.000 0.235 224 R C 0.916 177.199 176.300 -0.028 0.000 1.131 224 R CA 1.394 57.464 56.100 -0.049 0.000 0.960 224 R CB -0.691 29.563 30.300 -0.076 0.000 0.856 224 R HN 1.042 nan 8.270 nan 0.000 0.436 225 G N 0.240 109.051 108.800 0.019 0.000 2.553 225 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.242 225 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.242 225 G C -0.722 174.170 174.900 -0.013 0.000 1.277 225 G CA 0.277 45.381 45.100 0.007 0.000 0.910 225 G HN 0.564 nan 8.290 nan 0.000 0.576 226 Q N 0.894 120.696 119.800 0.003 0.000 2.339 226 Q HA 0.196 4.536 4.340 -0.000 0.000 0.308 226 Q C 1.894 177.892 176.000 -0.003 0.000 1.097 226 Q CA 1.277 57.085 55.803 0.009 0.000 1.007 226 Q CB 0.308 29.066 28.738 0.033 0.000 1.051 226 Q HN 0.691 nan 8.270 nan 0.000 0.381 227 E N 2.570 122.766 120.200 -0.007 0.000 2.153 227 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 227 E C 0.447 177.063 176.600 0.026 0.000 0.988 227 E CA 1.900 58.288 56.400 -0.021 0.000 0.811 227 E CB 0.001 29.685 29.700 -0.027 0.000 0.746 227 E HN 0.815 nan 8.360 nan 0.000 0.466 228 D N 0.086 120.538 120.400 0.087 0.000 2.328 228 D HA 0.184 4.823 4.640 -0.000 0.000 0.221 228 D C 1.229 177.745 176.300 0.359 0.000 1.072 228 D CA 0.526 54.656 54.000 0.216 0.000 0.850 228 D CB 0.283 41.168 40.800 0.142 0.000 0.922 228 D HN 0.294 nan 8.370 nan 0.000 0.516 229 A N -0.014 122.922 122.820 0.193 0.000 2.308 229 A HA 0.392 4.712 4.320 -0.000 0.000 0.217 229 A C 0.695 178.245 177.584 -0.057 0.000 1.216 229 A CA -0.016 52.139 52.037 0.196 0.000 0.864 229 A CB -0.037 19.020 19.000 0.094 0.000 0.902 229 A HN 0.246 nan 8.150 nan 0.000 0.499 230 S N -1.861 113.654 115.700 -0.309 0.000 2.549 230 S HA 0.573 5.042 4.470 -0.000 0.000 0.280 230 S C -2.524 171.401 174.600 -1.126 0.000 1.109 230 S CA -1.288 56.512 58.200 -0.667 0.000 0.905 230 S CB 1.856 64.831 63.200 -0.375 0.000 1.081 230 S HN -0.068 nan 8.310 nan 0.000 0.477 231 P HA 0.020 nan 4.420 nan 0.000 0.218 231 P C -0.231 176.674 177.300 -0.659 0.000 1.148 231 P CA 1.600 63.892 63.100 -1.345 0.000 0.822 231 P CB -0.226 31.023 31.700 -0.752 0.000 0.784 232 D N -4.183 115.900 120.400 -0.528 0.000 2.692 232 D HA 0.125 4.765 4.640 -0.000 0.000 0.290 232 D C 0.326 176.263 176.300 -0.605 0.000 1.281 232 D CA -0.988 52.706 54.000 -0.509 0.000 0.804 232 D CB 0.312 40.857 40.800 -0.426 0.000 1.331 232 D HN -0.129 nan 8.370 nan 0.000 0.432 233 R N -0.357 119.605 120.500 -0.897 0.000 2.310 233 R HA 0.259 4.599 4.340 -0.000 0.000 0.202 233 R C 0.188 175.971 176.300 -0.861 0.000 0.933 233 R CA 0.187 55.830 56.100 -0.762 0.000 1.054 233 R CB -0.502 29.401 30.300 -0.661 0.000 0.985 233 R HN 0.379 nan 8.270 nan 0.000 0.489 234 F N 0.428 119.996 119.950 -0.637 0.000 2.698 234 F HA 0.244 4.771 4.527 -0.000 0.000 0.295 234 F C 0.909 176.421 175.800 -0.480 0.000 1.124 234 F CA -0.407 57.079 58.000 -0.856 0.000 1.426 234 F CB 0.505 39.051 39.000 -0.756 0.000 1.120 234 F HN -0.098 nan 8.300 nan 0.000 0.583 235 S N 1.566 117.065 115.700 -0.336 0.000 3.456 235 S HA 0.135 4.605 4.470 -0.000 0.000 0.229 235 S C -0.484 173.396 174.600 -1.201 0.000 1.416 235 S CA -0.381 57.477 58.200 -0.570 0.000 1.197 235 S CB -1.507 61.561 63.200 -0.221 0.000 1.201 235 S HN 0.532 nan 8.310 nan 0.000 0.479 236 N N -2.511 115.401 118.700 -1.313 0.000 2.591 236 N HA 0.295 5.035 4.740 -0.000 0.000 0.263 236 N C 0.415 175.572 175.510 -0.587 0.000 1.308 236 N CA -0.863 51.583 53.050 -1.007 0.000 0.837 236 N CB 0.231 38.450 38.487 -0.446 0.000 1.548 236 N HN -0.207 nan 8.380 nan 0.000 0.493 237 T N -0.580 113.812 114.554 -0.270 0.000 2.635 237 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 237 T C 0.998 175.611 174.700 -0.145 0.000 1.040 237 T CA 2.174 64.240 62.100 -0.056 0.000 1.156 237 T CB -0.647 68.114 68.868 -0.177 0.000 0.863 237 T HN 0.801 nan 8.240 nan 0.000 0.430 238 D N -0.229 119.941 120.400 -0.382 0.000 2.104 238 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 238 D C 1.902 178.226 176.300 0.041 0.000 0.994 238 D CA 1.160 55.013 54.000 -0.245 0.000 0.830 238 D CB -0.372 40.250 40.800 -0.297 0.000 0.959 238 D HN 0.484 nan 8.370 nan 0.000 0.452 239 Y N 0.628 120.909 120.300 -0.031 0.000 2.128 239 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 239 Y C 2.260 178.244 175.900 0.139 0.000 1.154 239 Y CA 2.222 60.355 58.100 0.056 0.000 1.149 239 Y CB -0.641 37.823 38.460 0.006 0.000 0.976 239 Y HN 0.080 nan 8.280 nan 0.000 0.505 240 A N -0.936 122.034 122.820 0.249 0.000 1.933 240 A HA -0.141 4.178 4.320 -0.000 0.000 0.218 240 A C 2.325 180.015 177.584 0.176 0.000 1.175 240 A CA 1.885 54.090 52.037 0.280 0.000 0.628 240 A CB -1.252 17.979 19.000 0.385 0.000 0.814 240 A HN 0.349 nan 8.150 nan 0.000 0.444 241 V N -0.214 119.788 119.914 0.146 0.000 2.307 241 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 241 V C 2.821 178.965 176.094 0.083 0.000 1.045 241 V CA 1.925 64.309 62.300 0.140 0.000 1.024 241 V CB -1.348 30.613 31.823 0.231 0.000 0.651 241 V HN 0.601 nan 8.190 nan 0.000 0.449 242 G N -1.676 107.156 108.800 0.053 0.000 2.422 242 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 242 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 242 G C 1.552 176.431 174.900 -0.035 0.000 1.146 242 G CA 1.028 46.127 45.100 -0.002 0.000 0.769 242 G HN 0.509 nan 8.290 nan 0.000 0.547 243 Y N 0.951 121.095 120.300 -0.259 0.000 2.163 243 Y HA 0.003 4.553 4.550 -0.000 0.000 0.288 243 Y C 2.916 178.770 175.900 -0.077 0.000 1.136 243 Y CA 1.287 59.251 58.100 -0.226 0.000 1.147 243 Y CB -0.157 38.141 38.460 -0.270 0.000 0.987 243 Y HN 0.082 nan 8.280 nan 0.000 0.509 244 M N -0.860 118.712 119.600 -0.046 0.000 2.159 244 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 244 M C 2.174 178.414 176.300 -0.100 0.000 1.063 244 M CA 1.480 56.725 55.300 -0.090 0.000 1.110 244 M CB -0.693 31.911 32.600 0.006 0.000 1.374 244 M HN 0.322 nan 8.290 nan 0.000 0.411 245 L N -0.719 120.469 121.223 -0.059 0.000 2.056 245 L HA -0.198 4.141 4.340 -0.000 0.000 0.207 245 L C 2.705 179.529 176.870 -0.077 0.000 1.078 245 L CA 1.181 55.991 54.840 -0.050 0.000 0.749 245 L CB -0.620 41.426 42.059 -0.022 0.000 0.901 245 L HN 0.305 nan 8.230 nan 0.000 0.433 246 R N 0.604 121.041 120.500 -0.105 0.000 2.092 246 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 246 R C 2.085 178.292 176.300 -0.154 0.000 1.119 246 R CA 1.056 57.091 56.100 -0.108 0.000 0.970 246 R CB -0.092 30.153 30.300 -0.092 0.000 0.864 246 R HN 0.329 nan 8.270 nan 0.000 0.440 247 L N -0.536 120.540 121.223 -0.247 0.000 2.622 247 L HA 0.097 4.437 4.340 -0.000 0.000 0.233 247 L C 1.228 178.016 176.870 -0.136 0.000 1.156 247 L CA 0.842 55.541 54.840 -0.235 0.000 0.866 247 L CB 0.191 42.047 42.059 -0.340 0.000 0.980 247 L HN 0.688 nan 8.230 nan 0.000 0.448 248 G N -0.704 108.033 108.800 -0.105 0.000 2.231 248 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.206 248 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.206 248 G C 0.415 175.277 174.900 -0.064 0.000 0.996 248 G CA -0.190 44.865 45.100 -0.075 0.000 0.645 248 G HN 0.411 nan 8.290 nan 0.000 0.498 249 A N 1.576 124.358 122.820 -0.064 0.000 2.492 249 A HA 0.610 4.930 4.320 -0.000 0.000 0.254 249 A C -1.719 175.848 177.584 -0.028 0.000 1.091 249 A CA -0.414 51.597 52.037 -0.043 0.000 0.768 249 A CB -0.034 18.946 19.000 -0.034 0.000 1.028 249 A HN 0.174 nan 8.150 nan 0.000 0.498 250 P HA 0.231 nan 4.420 nan 0.000 0.271 250 P C 0.837 178.139 177.300 0.004 0.000 1.216 250 P CA 0.378 63.471 63.100 -0.012 0.000 0.771 250 P CB 1.121 32.815 31.700 -0.010 0.000 0.864 251 A N 3.183 126.005 122.820 0.004 0.000 1.978 251 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 251 A C 2.009 179.611 177.584 0.030 0.000 1.170 251 A CA 2.236 54.282 52.037 0.016 0.000 0.636 251 A CB -1.593 17.411 19.000 0.007 0.000 0.810 251 A HN 0.600 nan 8.150 nan 0.000 0.448 252 S N -0.976 114.736 115.700 0.021 0.000 2.547 252 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 252 S C 1.321 175.946 174.600 0.043 0.000 0.980 252 S CA 1.244 59.459 58.200 0.025 0.000 0.941 252 S CB -0.141 63.064 63.200 0.010 0.000 0.763 252 S HN 0.626 nan 8.310 nan 0.000 0.532 253 K N -0.247 120.184 120.400 0.052 0.000 2.374 253 K HA 0.340 4.659 4.320 -0.000 0.000 0.202 253 K C -0.616 176.053 176.600 0.114 0.000 1.040 253 K CA -0.271 56.069 56.287 0.088 0.000 1.085 253 K CB 0.367 32.907 32.500 0.066 0.000 0.873 253 K HN 0.261 nan 8.250 nan 0.000 0.539 254 L N 1.888 123.162 121.223 0.084 0.000 2.264 254 L HA 0.252 4.592 4.340 -0.000 0.000 0.289 254 L C -0.862 176.069 176.870 0.100 0.000 1.044 254 L CA -0.473 54.423 54.840 0.094 0.000 0.807 254 L CB 1.425 43.525 42.059 0.068 0.000 1.192 254 L HN -0.268 nan 8.230 nan 0.000 0.425 255 V N 6.342 126.333 119.914 0.129 0.000 2.417 255 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 255 V C 0.225 176.403 176.094 0.139 0.000 1.024 255 V CA -0.555 61.808 62.300 0.104 0.000 0.861 255 V CB 1.556 33.421 31.823 0.069 0.000 0.985 255 V HN 0.797 nan 8.190 nan 0.000 0.436 256 M N 3.994 123.669 119.600 0.125 0.000 2.120 256 M HA 0.487 4.967 4.480 -0.000 0.000 0.354 256 M C 0.724 177.131 176.300 0.180 0.000 1.287 256 M CA -0.187 55.199 55.300 0.144 0.000 1.103 256 M CB 0.620 33.302 32.600 0.137 0.000 1.623 256 M HN 0.833 nan 8.290 nan 0.000 0.471 257 G N 6.306 115.234 108.800 0.213 0.000 2.365 257 G HA2 0.463 4.423 3.960 -0.000 0.000 0.249 257 G HA3 0.463 4.423 3.960 -0.000 0.000 0.249 257 G C -0.677 174.434 174.900 0.351 0.000 1.288 257 G CA -0.450 44.859 45.100 0.349 0.000 0.887 257 G HN 0.795 nan 8.290 nan 0.000 0.524 258 I N 4.572 125.352 120.570 0.350 0.000 2.466 258 I HA 0.313 4.482 4.170 -0.000 0.000 0.289 258 I C -2.225 174.000 176.117 0.180 0.000 1.026 258 I CA -2.269 59.163 61.300 0.220 0.000 1.078 258 I CB 3.249 41.322 38.000 0.122 0.000 1.249 258 I HN 0.339 nan 8.210 nan 0.000 0.429 259 P HA 0.208 nan 4.420 nan 0.000 0.286 259 P C 0.178 177.434 177.300 -0.073 0.000 1.261 259 P CA -0.299 62.693 63.100 -0.179 0.000 0.821 259 P CB 1.573 32.855 31.700 -0.695 0.000 1.013 260 T N -1.252 113.360 114.554 0.097 0.000 3.092 260 T HA 0.283 4.633 4.350 -0.000 0.000 0.258 260 T C 0.527 175.359 174.700 0.220 0.000 1.031 260 T CA -0.249 61.922 62.100 0.118 0.000 0.925 260 T CB -0.826 68.145 68.868 0.172 0.000 1.036 260 T HN 0.371 nan 8.240 nan 0.000 0.544 261 F N 0.193 120.214 119.950 0.119 0.000 2.557 261 F HA 0.922 5.449 4.527 -0.000 0.000 0.336 261 F C 0.172 176.040 175.800 0.114 0.000 1.058 261 F CA -1.835 56.210 58.000 0.075 0.000 0.988 261 F CB 0.787 39.793 39.000 0.010 0.000 1.275 261 F HN 0.054 nan 8.300 nan 0.000 0.488 262 G N 0.498 109.392 108.800 0.158 0.000 2.498 262 G HA2 0.623 4.582 3.960 -0.000 0.000 0.312 262 G HA3 0.623 4.582 3.960 -0.000 0.000 0.312 262 G C -1.427 173.402 174.900 -0.119 0.000 1.230 262 G CA -1.229 43.884 45.100 0.022 0.000 0.968 262 G HN 0.525 nan 8.290 nan 0.000 0.481 263 R N 0.516 120.829 120.500 -0.312 0.000 2.343 263 R HA 0.549 4.889 4.340 -0.000 0.000 0.320 263 R C -0.031 175.977 176.300 -0.486 0.000 0.956 263 R CA -0.582 55.274 56.100 -0.407 0.000 0.836 263 R CB 1.306 31.315 30.300 -0.484 0.000 1.151 263 R HN 0.721 nan 8.270 nan 0.000 0.450 264 S N 2.026 117.376 115.700 -0.584 0.000 2.664 264 S HA 0.838 5.308 4.470 -0.000 0.000 0.304 264 S C -0.518 173.551 174.600 -0.885 0.000 1.099 264 S CA -0.591 57.263 58.200 -0.577 0.000 1.003 264 S CB 1.401 64.416 63.200 -0.307 0.000 1.092 264 S HN 0.323 nan 8.310 nan 0.000 0.525 265 F N -0.700 119.302 119.950 0.088 0.000 2.626 265 F HA 0.526 5.053 4.527 -0.000 0.000 0.311 265 F C 0.139 175.977 175.800 0.064 0.000 1.088 265 F CA -0.829 57.189 58.000 0.031 0.000 0.949 265 F CB 2.000 40.970 39.000 -0.050 0.000 1.322 265 F HN 0.493 nan 8.300 nan 0.000 0.461 266 T N 3.411 118.103 114.554 0.230 0.000 2.744 266 T HA 0.518 4.867 4.350 -0.000 0.000 0.291 266 T C -0.013 174.767 174.700 0.133 0.000 0.957 266 T CA -0.521 61.676 62.100 0.163 0.000 1.002 266 T CB 0.274 69.205 68.868 0.105 0.000 0.919 266 T HN 0.298 nan 8.240 nan 0.000 0.468 267 L N 2.225 123.531 121.223 0.138 0.000 2.461 267 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 267 L C 1.341 178.241 176.870 0.050 0.000 1.197 267 L CA -0.411 54.476 54.840 0.078 0.000 0.836 267 L CB 0.368 42.501 42.059 0.123 0.000 1.105 267 L HN 0.754 nan 8.230 nan 0.000 0.477 268 A N 1.358 124.186 122.820 0.013 0.000 2.390 268 A HA 0.309 4.629 4.320 -0.000 0.000 0.232 268 A C 0.641 178.232 177.584 0.011 0.000 1.233 268 A CA 0.556 52.599 52.037 0.010 0.000 0.907 268 A CB 0.094 19.087 19.000 -0.012 0.000 0.967 268 A HN 0.764 nan 8.150 nan 0.000 0.512 269 S N -1.910 113.801 115.700 0.018 0.000 2.757 269 S HA 0.352 4.822 4.470 -0.000 0.000 0.285 269 S C 0.771 175.396 174.600 0.042 0.000 1.196 269 S CA 0.498 58.710 58.200 0.021 0.000 0.856 269 S CB 0.391 63.593 63.200 0.003 0.000 1.212 269 S HN 0.718 nan 8.310 nan 0.000 0.516 270 S N -0.209 115.515 115.700 0.040 0.000 2.561 270 S HA 0.153 4.623 4.470 -0.000 0.000 0.225 270 S C 0.257 174.897 174.600 0.067 0.000 0.977 270 S CA 0.074 58.309 58.200 0.057 0.000 0.926 270 S CB -0.549 62.679 63.200 0.047 0.000 0.769 270 S HN 0.620 nan 8.310 nan 0.000 0.533 271 E N 2.378 122.606 120.200 0.047 0.000 2.338 271 E HA 0.222 4.572 4.350 -0.000 0.000 0.272 271 E C 0.646 177.295 176.600 0.082 0.000 1.029 271 E CA 0.429 56.857 56.400 0.047 0.000 0.872 271 E CB 1.438 31.142 29.700 0.006 0.000 1.015 271 E HN 0.543 nan 8.360 nan 0.000 0.417 272 T N -1.196 113.439 114.554 0.135 0.000 3.144 272 T HA 0.283 4.633 4.350 -0.000 0.000 0.290 272 T C 0.761 175.666 174.700 0.343 0.000 0.966 272 T CA -0.119 62.148 62.100 0.278 0.000 0.907 272 T CB 0.407 69.482 68.868 0.346 0.000 1.152 272 T HN 0.323 nan 8.240 nan 0.000 0.532 273 G N 1.231 110.124 108.800 0.154 0.000 2.535 273 G HA2 0.523 4.483 3.960 -0.000 0.000 0.282 273 G HA3 0.523 4.483 3.960 -0.000 0.000 0.282 273 G C -0.348 174.546 174.900 -0.010 0.000 1.350 273 G CA -0.584 44.592 45.100 0.126 0.000 1.039 273 G HN 0.313 nan 8.290 nan 0.000 0.509 274 V N 0.458 120.365 119.914 -0.012 0.000 2.655 274 V HA 0.425 4.545 4.120 -0.000 0.000 0.300 274 V C 1.555 177.579 176.094 -0.116 0.000 1.044 274 V CA 1.727 63.980 62.300 -0.079 0.000 1.095 274 V CB 0.557 32.418 31.823 0.064 0.000 0.952 274 V HN 1.814 nan 8.190 nan 0.000 0.485 275 G N 3.497 112.163 108.800 -0.223 0.000 2.157 275 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.248 275 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.248 275 G C 0.354 175.153 174.900 -0.168 0.000 0.979 275 G CA 0.130 45.167 45.100 -0.105 0.000 0.650 275 G HN 1.485 nan 8.290 nan 0.000 0.529 276 A N 1.157 123.816 122.820 -0.269 0.000 2.371 276 A HA 0.710 5.029 4.320 -0.000 0.000 0.257 276 A C -1.260 176.177 177.584 -0.245 0.000 1.089 276 A CA -0.765 51.144 52.037 -0.213 0.000 0.794 276 A CB 0.487 19.374 19.000 -0.189 0.000 1.029 276 A HN 0.248 nan 8.150 nan 0.000 0.488 277 P HA 0.298 nan 4.420 nan 0.000 0.271 277 P C -0.555 176.655 177.300 -0.149 0.000 1.216 277 P CA 0.372 63.384 63.100 -0.147 0.000 0.776 277 P CB 0.521 32.167 31.700 -0.091 0.000 0.881 278 I N -1.020 119.459 120.570 -0.151 0.000 2.957 278 I HA 0.522 4.692 4.170 -0.000 0.000 0.310 278 I C 0.682 176.776 176.117 -0.039 0.000 1.063 278 I CA -0.932 60.309 61.300 -0.098 0.000 1.033 278 I CB 2.300 40.215 38.000 -0.142 0.000 1.230 278 I HN 0.225 nan 8.210 nan 0.000 0.447 279 S N 0.954 116.658 115.700 0.007 0.000 2.540 279 S HA 0.707 5.177 4.470 -0.000 0.000 0.222 279 S C 0.588 175.206 174.600 0.030 0.000 1.008 279 S CA 0.149 58.357 58.200 0.014 0.000 0.939 279 S CB 0.270 63.482 63.200 0.021 0.000 0.865 279 S HN 1.459 nan 8.310 nan 0.000 0.499 280 G N 1.470 110.304 108.800 0.057 0.000 2.317 280 G HA2 0.402 4.361 3.960 -0.000 0.000 0.293 280 G HA3 0.402 4.361 3.960 -0.000 0.000 0.293 280 G C -3.525 171.450 174.900 0.125 0.000 1.287 280 G CA -0.687 44.458 45.100 0.074 0.000 0.850 280 G HN 0.074 nan 8.290 nan 0.000 0.515 281 P HA 0.384 nan 4.420 nan 0.000 0.272 281 P C 0.724 178.027 177.300 0.005 0.000 1.240 281 P CA 0.445 63.560 63.100 0.026 0.000 0.791 281 P CB 0.666 32.347 31.700 -0.032 0.000 0.978 282 G N 0.657 109.411 108.800 -0.076 0.000 2.606 282 G HA2 0.311 4.271 3.960 -0.000 0.000 0.252 282 G HA3 0.311 4.271 3.960 -0.000 0.000 0.252 282 G C 0.165 175.046 174.900 -0.032 0.000 1.206 282 G CA -0.831 44.244 45.100 -0.041 0.000 0.861 282 G HN 0.439 nan 8.290 nan 0.000 0.561 283 I N 2.494 123.065 120.570 0.001 0.000 2.683 283 I HA 0.058 4.228 4.170 -0.000 0.000 0.286 283 I C -1.340 174.765 176.117 -0.019 0.000 1.175 283 I CA -1.122 60.182 61.300 0.007 0.000 1.429 283 I CB 0.904 38.929 38.000 0.041 0.000 1.371 283 I HN 0.296 nan 8.210 nan 0.000 0.569 284 P HA 0.028 nan 4.420 nan 0.000 0.268 284 P C -0.031 177.261 177.300 -0.014 0.000 1.208 284 P CA -0.216 62.868 63.100 -0.027 0.000 0.777 284 P CB 0.358 32.047 31.700 -0.018 0.000 0.875 285 G N 2.256 111.046 108.800 -0.015 0.000 2.503 285 G HA2 0.069 4.029 3.960 -0.000 0.000 0.257 285 G HA3 0.069 4.029 3.960 -0.000 0.000 0.257 285 G C 1.093 176.008 174.900 0.025 0.000 1.214 285 G CA -0.534 44.574 45.100 0.012 0.000 0.839 285 G HN 0.295 nan 8.290 nan 0.000 0.559 286 R N 1.186 121.691 120.500 0.009 0.000 2.105 286 R HA -0.081 4.258 4.340 -0.000 0.000 0.239 286 R C 1.853 178.016 176.300 -0.229 0.000 1.135 286 R CA 1.300 57.298 56.100 -0.170 0.000 0.967 286 R CB -0.753 29.335 30.300 -0.354 0.000 0.861 286 R HN 0.630 nan 8.270 nan 0.000 0.442 287 F N 0.070 120.084 119.950 0.107 0.000 2.383 287 F HA 0.029 4.556 4.527 -0.000 0.000 0.287 287 F C 2.478 178.351 175.800 0.121 0.000 1.069 287 F CA 1.197 59.289 58.000 0.153 0.000 1.402 287 F CB -0.827 38.336 39.000 0.273 0.000 1.116 287 F HN 0.032 nan 8.300 nan 0.000 0.549 288 T N -2.298 112.408 114.554 0.253 0.000 3.023 288 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 288 T C 0.838 175.596 174.700 0.097 0.000 1.093 288 T CA 0.173 62.363 62.100 0.151 0.000 1.129 288 T CB -0.575 68.325 68.868 0.052 0.000 0.899 288 T HN 0.177 nan 8.240 nan 0.000 0.491 289 K N 1.573 122.013 120.400 0.067 0.000 3.311 289 K HA -0.196 4.124 4.320 -0.000 0.000 0.270 289 K C -0.254 176.350 176.600 0.006 0.000 0.927 289 K CA 0.734 57.040 56.287 0.032 0.000 0.706 289 K CB -1.445 31.082 32.500 0.046 0.000 1.418 289 K HN 0.769 nan 8.250 nan 0.000 0.459 290 E N 0.300 120.488 120.200 -0.020 0.000 2.343 290 E HA 0.435 4.784 4.350 -0.000 0.000 0.260 290 E C -0.700 175.857 176.600 -0.073 0.000 0.908 290 E CA -0.415 55.955 56.400 -0.051 0.000 0.814 290 E CB 1.247 30.904 29.700 -0.072 0.000 1.302 290 E HN 0.336 nan 8.360 nan 0.000 0.408 291 A N 2.750 125.531 122.820 -0.065 0.000 2.567 291 A HA 0.400 4.719 4.320 -0.000 0.000 0.240 291 A C 1.328 178.846 177.584 -0.110 0.000 1.053 291 A CA 1.187 53.182 52.037 -0.070 0.000 0.755 291 A CB -0.349 18.622 19.000 -0.048 0.000 0.978 291 A HN 1.264 nan 8.150 nan 0.000 0.507 292 G N 1.774 110.488 108.800 -0.143 0.000 2.195 292 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.246 292 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.246 292 G C 0.380 175.130 174.900 -0.249 0.000 0.984 292 G CA 0.594 45.557 45.100 -0.227 0.000 0.633 292 G HN 1.360 nan 8.290 nan 0.000 0.525 293 T N 0.501 114.945 114.554 -0.184 0.000 2.893 293 T HA 0.741 5.091 4.350 -0.000 0.000 0.291 293 T C -0.555 174.072 174.700 -0.122 0.000 1.028 293 T CA -0.401 61.610 62.100 -0.149 0.000 0.995 293 T CB 2.124 70.889 68.868 -0.171 0.000 1.051 293 T HN 0.455 nan 8.240 nan 0.000 0.470 294 L N 1.609 122.780 121.223 -0.087 0.000 2.455 294 L HA 0.732 5.071 4.340 -0.000 0.000 0.264 294 L C 0.004 176.820 176.870 -0.090 0.000 0.968 294 L CA -1.258 53.507 54.840 -0.124 0.000 0.827 294 L CB 1.911 43.854 42.059 -0.193 0.000 1.317 294 L HN 0.760 nan 8.230 nan 0.000 0.407 295 A N 0.970 123.644 122.820 -0.243 0.000 2.332 295 A HA 0.191 4.511 4.320 -0.000 0.000 0.258 295 A C 0.364 177.779 177.584 -0.282 0.000 1.087 295 A CA 0.071 51.919 52.037 -0.316 0.000 0.802 295 A CB 0.155 18.631 19.000 -0.874 0.000 1.042 295 A HN 0.761 nan 8.150 nan 0.000 0.489 296 Y N 1.255 121.438 120.300 -0.196 0.000 2.256 296 Y HA -0.301 4.249 4.550 -0.000 0.000 0.288 296 Y C 1.972 177.780 175.900 -0.153 0.000 1.155 296 Y CA 2.651 60.691 58.100 -0.100 0.000 1.203 296 Y CB -0.651 37.839 38.460 0.049 0.000 0.980 296 Y HN 0.819 nan 8.280 nan 0.000 0.530 297 Y N -1.405 118.732 120.300 -0.272 0.000 2.352 297 Y HA 0.001 4.550 4.550 -0.000 0.000 0.292 297 Y C 1.882 177.488 175.900 -0.491 0.000 1.136 297 Y CA 1.097 58.872 58.100 -0.542 0.000 1.227 297 Y CB -1.123 36.760 38.460 -0.962 0.000 0.991 297 Y HN 0.117 nan 8.280 nan 0.000 0.545 298 E N 0.904 120.746 120.200 -0.596 0.000 2.107 298 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 298 E C 2.058 178.570 176.600 -0.148 0.000 0.982 298 E CA 1.240 57.492 56.400 -0.247 0.000 0.809 298 E CB -0.174 29.376 29.700 -0.249 0.000 0.756 298 E HN 0.546 nan 8.360 nan 0.000 0.459 299 I N 0.730 121.138 120.570 -0.271 0.000 2.286 299 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 299 I C 2.267 178.251 176.117 -0.222 0.000 1.115 299 I CA 0.554 61.691 61.300 -0.272 0.000 1.392 299 I CB -0.195 37.536 38.000 -0.449 0.000 1.065 299 I HN 0.240 nan 8.210 nan 0.000 0.418 300 c N 0.478 118.874 118.600 -0.341 0.000 2.411 300 c HA -0.212 4.358 4.570 -0.000 0.000 0.279 300 c C 2.518 176.583 174.090 -0.041 0.000 1.288 300 c CA 1.474 57.663 56.329 -0.232 0.000 1.764 300 c CB -1.084 41.277 42.510 -0.249 0.000 1.974 300 c HN 0.580 nan 8.230 nan 0.000 0.498 301 D N -0.472 119.953 120.400 0.041 0.000 2.103 301 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 301 D C 1.880 178.222 176.300 0.071 0.000 0.978 301 D CA 0.847 54.908 54.000 0.102 0.000 0.829 301 D CB -0.306 40.613 40.800 0.198 0.000 0.981 301 D HN 0.429 nan 8.370 nan 0.000 0.464 302 F N 0.934 120.849 119.950 -0.059 0.000 2.161 302 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 302 F C 1.755 177.514 175.800 -0.068 0.000 1.089 302 F CA 1.196 59.158 58.000 -0.063 0.000 1.282 302 F CB -0.146 38.792 39.000 -0.103 0.000 1.010 302 F HN 0.019 nan 8.300 nan 0.000 0.485 303 L N 0.234 121.449 121.223 -0.014 0.000 2.265 303 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 303 L C 0.952 177.744 176.870 -0.131 0.000 1.117 303 L CA 0.614 55.408 54.840 -0.077 0.000 0.782 303 L CB -0.642 41.401 42.059 -0.026 0.000 0.914 303 L HN -0.075 nan 8.230 nan 0.000 0.441 304 R N 0.803 121.232 120.500 -0.117 0.000 2.399 304 R HA 0.155 4.495 4.340 -0.000 0.000 0.324 304 R C 1.056 177.269 176.300 -0.146 0.000 1.030 304 R CA 0.734 56.775 56.100 -0.098 0.000 0.984 304 R CB 0.035 30.299 30.300 -0.060 0.000 0.961 304 R HN 0.346 nan 8.270 nan 0.000 0.433 305 G N 1.435 110.162 108.800 -0.121 0.000 2.176 305 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 305 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 305 G C 0.230 175.037 174.900 -0.156 0.000 0.979 305 G CA 0.067 45.095 45.100 -0.121 0.000 0.641 305 G HN 0.816 nan 8.290 nan 0.000 0.530 306 A N -0.574 122.122 122.820 -0.206 0.000 2.252 306 A HA 0.857 5.177 4.320 -0.000 0.000 0.305 306 A C 0.371 177.896 177.584 -0.098 0.000 1.097 306 A CA 0.673 52.587 52.037 -0.205 0.000 0.849 306 A CB 0.923 19.727 19.000 -0.325 0.000 1.142 306 A HN 0.693 nan 8.150 nan 0.000 0.499 307 T N 0.576 115.096 114.554 -0.055 0.000 2.807 307 T HA 0.517 4.867 4.350 -0.000 0.000 0.279 307 T C -0.625 173.954 174.700 -0.202 0.000 0.993 307 T CA -0.232 61.791 62.100 -0.128 0.000 0.970 307 T CB 1.148 69.965 68.868 -0.085 0.000 0.950 307 T HN 0.424 nan 8.240 nan 0.000 0.441 308 V N 4.829 124.559 119.914 -0.307 0.000 2.472 308 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 308 V C -0.372 175.353 176.094 -0.614 0.000 1.037 308 V CA -0.784 61.340 62.300 -0.293 0.000 0.908 308 V CB 1.252 33.023 31.823 -0.087 0.000 0.985 308 V HN 0.833 nan 8.190 nan 0.000 0.454 309 H N 4.475 123.251 119.070 -0.490 0.000 2.609 309 H HA 0.477 5.033 4.556 -0.000 0.000 0.344 309 H C -0.642 174.450 175.328 -0.395 0.000 1.040 309 H CA -0.890 54.852 56.048 -0.510 0.000 1.216 309 H CB 1.963 31.195 29.762 -0.883 0.000 1.529 309 H HN 0.471 nan 8.280 nan 0.000 0.519 310 R N 3.182 123.633 120.500 -0.082 0.000 2.234 310 R HA 0.291 4.631 4.340 -0.000 0.000 0.324 310 R C 0.267 176.590 176.300 0.038 0.000 1.054 310 R CA -0.621 55.452 56.100 -0.044 0.000 0.912 310 R CB 0.815 31.098 30.300 -0.028 0.000 1.030 310 R HN 0.527 nan 8.270 nan 0.000 0.455 311 I N 4.580 125.197 120.570 0.079 0.000 2.436 311 I HA -0.094 4.076 4.170 -0.000 0.000 0.289 311 I C 2.076 178.236 176.117 0.072 0.000 1.083 311 I CA -0.012 61.374 61.300 0.144 0.000 1.372 311 I CB 0.499 38.609 38.000 0.184 0.000 1.408 311 I HN 0.503 nan 8.210 nan 0.000 0.516 312 L N 5.360 126.628 121.223 0.075 0.000 1.978 312 L HA -0.226 4.114 4.340 -0.000 0.000 0.218 312 L C 2.255 179.144 176.870 0.031 0.000 1.075 312 L CA 2.150 57.016 54.840 0.044 0.000 0.767 312 L CB -0.405 41.679 42.059 0.042 0.000 0.890 312 L HN 0.871 nan 8.230 nan 0.000 0.434 313 G N -2.243 106.576 108.800 0.033 0.000 2.880 313 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.209 313 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.209 313 G C 1.278 176.220 174.900 0.070 0.000 1.157 313 G CA -0.093 45.020 45.100 0.022 0.000 0.779 313 G HN 0.441 nan 8.290 nan 0.000 0.539 314 Q N -0.842 118.988 119.800 0.050 0.000 2.352 314 Q HA 0.077 4.417 4.340 -0.000 0.000 0.212 314 Q C 0.531 176.518 176.000 -0.021 0.000 0.888 314 Q CA -0.118 55.695 55.803 0.017 0.000 0.934 314 Q CB 0.493 29.198 28.738 -0.056 0.000 1.093 314 Q HN 0.196 nan 8.270 nan 0.000 0.523 315 Q N -0.585 119.218 119.800 0.006 0.000 2.494 315 Q HA -0.142 4.198 4.340 -0.000 0.000 0.266 315 Q C -0.542 175.393 176.000 -0.109 0.000 1.053 315 Q CA 1.099 56.895 55.803 -0.012 0.000 1.029 315 Q CB -2.505 26.270 28.738 0.063 0.000 1.423 315 Q HN 0.370 nan 8.270 nan 0.000 0.516 316 V N -4.157 115.649 119.914 -0.181 0.000 3.078 316 V HA 0.953 5.072 4.120 -0.000 0.000 0.311 316 V C -2.660 173.307 176.094 -0.211 0.000 1.138 316 V CA -2.162 59.965 62.300 -0.289 0.000 1.007 316 V CB 2.940 34.367 31.823 -0.661 0.000 1.045 316 V HN -0.073 nan 8.190 nan 0.000 0.432 317 P HA 0.579 nan 4.420 nan 0.000 0.287 317 P C -2.031 175.209 177.300 -0.100 0.000 1.290 317 P CA -0.418 62.549 63.100 -0.222 0.000 0.889 317 P CB 1.904 33.369 31.700 -0.392 0.000 1.190 318 Y N -1.444 118.787 120.300 -0.114 0.000 2.576 318 Y HA 0.859 5.409 4.550 -0.000 0.000 0.346 318 Y C -1.539 174.337 175.900 -0.040 0.000 1.018 318 Y CA -1.576 56.383 58.100 -0.236 0.000 1.050 318 Y CB 1.106 39.054 38.460 -0.854 0.000 1.280 318 Y HN 0.589 nan 8.280 nan 0.000 0.474 319 A N 1.435 124.357 122.820 0.169 0.000 2.435 319 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 319 A C -0.993 176.771 177.584 0.301 0.000 1.064 319 A CA -0.610 51.569 52.037 0.236 0.000 0.727 319 A CB 1.847 21.086 19.000 0.398 0.000 1.284 319 A HN 0.959 nan 8.150 nan 0.000 0.415 320 T N 0.410 115.176 114.554 0.354 0.000 2.916 320 T HA 0.684 5.034 4.350 -0.000 0.000 0.305 320 T C -1.428 173.449 174.700 0.294 0.000 1.119 320 T CA -0.523 61.834 62.100 0.428 0.000 1.008 320 T CB 1.078 70.207 68.868 0.434 0.000 1.129 320 T HN 0.814 nan 8.240 nan 0.000 0.480 321 K N 2.514 123.097 120.400 0.306 0.000 2.575 321 K HA 0.504 4.824 4.320 -0.000 0.000 0.255 321 K C 0.416 177.100 176.600 0.141 0.000 0.953 321 K CA 0.209 56.531 56.287 0.058 0.000 0.840 321 K CB 0.890 33.186 32.500 -0.340 0.000 1.303 321 K HN 1.100 nan 8.250 nan 0.000 0.438 322 G N 3.479 112.344 108.800 0.108 0.000 2.596 322 G HA2 -0.397 3.562 3.960 -0.000 0.000 0.295 322 G HA3 -0.397 3.562 3.960 -0.000 0.000 0.295 322 G C 0.130 175.131 174.900 0.169 0.000 1.240 322 G CA 0.623 45.791 45.100 0.115 0.000 0.985 322 G HN 0.894 nan 8.290 nan 0.000 0.555 323 N N 1.246 120.045 118.700 0.164 0.000 2.313 323 N HA 0.129 4.869 4.740 -0.000 0.000 0.207 323 N C 0.286 175.935 175.510 0.232 0.000 1.141 323 N CA 0.670 53.825 53.050 0.175 0.000 0.830 323 N CB 0.356 38.918 38.487 0.125 0.000 1.008 323 N HN 0.604 nan 8.380 nan 0.000 0.481 324 Q N -0.044 119.944 119.800 0.314 0.000 2.306 324 Q HA 0.350 4.690 4.340 -0.000 0.000 0.265 324 Q C -1.495 174.806 176.000 0.503 0.000 1.022 324 Q CA -0.342 55.681 55.803 0.367 0.000 0.853 324 Q CB 2.109 31.088 28.738 0.402 0.000 1.327 324 Q HN 0.440 nan 8.270 nan 0.000 0.449 325 W N 1.946 123.359 121.300 0.188 0.000 3.042 325 W HA 0.553 5.213 4.660 -0.000 0.000 0.337 325 W C -1.690 174.894 176.519 0.108 0.000 1.086 325 W CA -0.695 56.797 57.345 0.245 0.000 1.236 325 W CB 1.284 30.917 29.460 0.288 0.000 1.381 325 W HN 0.366 nan 8.180 nan 0.000 0.472 326 V N 6.074 126.065 119.914 0.129 0.000 2.686 326 V HA 0.860 4.980 4.120 -0.000 0.000 0.306 326 V C -0.403 175.738 176.094 0.079 0.000 1.065 326 V CA -0.441 61.892 62.300 0.055 0.000 0.894 326 V CB 1.624 33.275 31.823 -0.288 0.000 1.004 326 V HN 0.706 nan 8.190 nan 0.000 0.424 327 G N 5.911 114.814 108.800 0.173 0.000 2.322 327 G HA2 0.640 4.600 3.960 -0.000 0.000 0.309 327 G HA3 0.640 4.600 3.960 -0.000 0.000 0.309 327 G C -1.162 173.695 174.900 -0.072 0.000 1.121 327 G CA -0.108 44.959 45.100 -0.056 0.000 0.886 327 G HN 1.239 nan 8.290 nan 0.000 0.447 328 Y N -0.398 119.909 120.300 0.013 0.000 2.896 328 Y HA 0.765 5.314 4.550 -0.000 0.000 0.317 328 Y C -1.319 174.738 175.900 0.261 0.000 1.444 328 Y CA -1.897 56.277 58.100 0.123 0.000 1.084 328 Y CB 0.825 39.345 38.460 0.101 0.000 1.382 328 Y HN 0.391 nan 8.280 nan 0.000 0.471 329 D N 0.568 121.040 120.400 0.121 0.000 2.481 329 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 329 D C -1.374 174.934 176.300 0.013 0.000 1.057 329 D CA -0.333 53.645 54.000 -0.037 0.000 0.848 329 D CB 1.702 42.481 40.800 -0.036 0.000 1.388 329 D HN 0.662 nan 8.370 nan 0.000 0.475 330 D N 0.273 120.642 120.400 -0.052 0.000 2.727 330 D HA 0.180 4.819 4.640 -0.000 0.000 0.264 330 D C 0.622 176.893 176.300 -0.048 0.000 1.101 330 D CA -0.485 53.525 54.000 0.017 0.000 1.122 330 D CB 0.421 41.357 40.800 0.226 0.000 1.390 330 D HN 0.119 nan 8.370 nan 0.000 0.606 331 Q N -0.410 119.393 119.800 0.003 0.000 2.135 331 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 331 Q C 1.755 177.758 176.000 0.005 0.000 0.981 331 Q CA 1.829 57.635 55.803 0.005 0.000 0.856 331 Q CB -0.078 28.689 28.738 0.049 0.000 0.902 331 Q HN 0.664 nan 8.270 nan 0.000 0.425 332 E N -0.265 119.943 120.200 0.013 0.000 2.072 332 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 332 E C 1.918 178.509 176.600 -0.016 0.000 0.985 332 E CA 1.344 57.746 56.400 0.004 0.000 0.801 332 E CB 0.040 29.744 29.700 0.006 0.000 0.750 332 E HN 0.421 nan 8.360 nan 0.000 0.452 333 S N 0.150 115.826 115.700 -0.040 0.000 2.406 333 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 333 S C 2.229 176.798 174.600 -0.051 0.000 1.020 333 S CA 1.106 59.269 58.200 -0.062 0.000 0.965 333 S CB -0.486 62.648 63.200 -0.110 0.000 0.798 333 S HN 0.269 nan 8.310 nan 0.000 0.488 334 V N -0.009 119.878 119.914 -0.045 0.000 2.626 334 V HA 0.048 4.167 4.120 -0.000 0.000 0.252 334 V C 2.246 178.330 176.094 -0.015 0.000 1.067 334 V CA 1.525 63.806 62.300 -0.031 0.000 1.081 334 V CB -0.960 30.843 31.823 -0.032 0.000 0.686 334 V HN 0.371 nan 8.190 nan 0.000 0.468 335 K N 0.858 121.252 120.400 -0.010 0.000 2.097 335 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 335 K C 2.467 179.072 176.600 0.009 0.000 1.050 335 K CA 1.548 57.835 56.287 -0.000 0.000 0.938 335 K CB -0.269 32.235 32.500 0.007 0.000 0.718 335 K HN 0.530 nan 8.250 nan 0.000 0.442 336 S N 1.224 116.931 115.700 0.011 0.000 2.383 336 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 336 S C 1.663 176.291 174.600 0.047 0.000 1.026 336 S CA 1.161 59.383 58.200 0.036 0.000 0.981 336 S CB -0.002 63.216 63.200 0.031 0.000 0.818 336 S HN 0.269 nan 8.310 nan 0.000 0.472 337 K N 0.671 121.074 120.400 0.005 0.000 2.097 337 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 337 K C 1.957 178.595 176.600 0.063 0.000 1.050 337 K CA 0.976 57.268 56.287 0.009 0.000 0.938 337 K CB -0.253 32.230 32.500 -0.029 0.000 0.718 337 K HN 0.162 nan 8.250 nan 0.000 0.442 338 V N 1.216 121.140 119.914 0.017 0.000 2.379 338 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 338 V C 2.394 178.472 176.094 -0.027 0.000 1.044 338 V CA 1.658 63.939 62.300 -0.032 0.000 1.036 338 V CB -0.366 31.416 31.823 -0.069 0.000 0.664 338 V HN 0.291 nan 8.190 nan 0.000 0.453 339 Q N -0.215 119.595 119.800 0.017 0.000 2.096 339 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 339 Q C 2.041 178.075 176.000 0.057 0.000 0.982 339 Q CA 2.341 58.163 55.803 0.031 0.000 0.850 339 Q CB -0.707 28.067 28.738 0.061 0.000 0.901 339 Q HN 0.737 nan 8.270 nan 0.000 0.422 340 Y N 0.514 120.811 120.300 -0.006 0.000 2.145 340 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 340 Y C 1.816 177.710 175.900 -0.009 0.000 1.145 340 Y CA 2.003 60.108 58.100 0.009 0.000 1.148 340 Y CB -0.431 38.005 38.460 -0.040 0.000 0.981 340 Y HN 0.307 nan 8.280 nan 0.000 0.507 341 L N -0.208 121.031 121.223 0.027 0.000 2.141 341 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 341 L C 1.903 178.706 176.870 -0.111 0.000 1.094 341 L CA 1.750 56.554 54.840 -0.061 0.000 0.763 341 L CB -0.898 41.175 42.059 0.024 0.000 0.908 341 L HN -0.032 nan 8.230 nan 0.000 0.437 342 K N 0.113 120.441 120.400 -0.120 0.000 2.103 342 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 342 K C 1.692 178.282 176.600 -0.018 0.000 1.052 342 K CA 1.382 57.634 56.287 -0.058 0.000 0.945 342 K CB -0.268 32.177 32.500 -0.091 0.000 0.722 342 K HN 0.361 nan 8.250 nan 0.000 0.443 343 D N 0.395 120.746 120.400 -0.082 0.000 2.178 343 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 343 D C 1.640 177.862 176.300 -0.129 0.000 0.974 343 D CA 0.880 54.828 54.000 -0.087 0.000 0.841 343 D CB 0.072 40.818 40.800 -0.090 0.000 0.953 343 D HN 0.012 nan 8.370 nan 0.000 0.478 344 R N 0.363 120.729 120.500 -0.222 0.000 2.310 344 R HA 0.099 4.438 4.340 -0.000 0.000 0.202 344 R C 0.237 176.493 176.300 -0.072 0.000 0.933 344 R CA 0.048 56.028 56.100 -0.200 0.000 1.054 344 R CB 0.016 30.113 30.300 -0.338 0.000 0.985 344 R HN 0.322 nan 8.270 nan 0.000 0.489 345 Q N 0.589 120.382 119.800 -0.012 0.000 2.475 345 Q HA -0.174 4.166 4.340 -0.000 0.000 0.280 345 Q C -0.501 175.545 176.000 0.077 0.000 1.234 345 Q CA 0.451 56.289 55.803 0.059 0.000 0.873 345 Q CB -1.738 27.013 28.738 0.022 0.000 1.256 345 Q HN 0.324 nan 8.270 nan 0.000 0.475 346 L N -1.113 120.162 121.223 0.087 0.000 2.475 346 L HA 0.285 4.625 4.340 -0.000 0.000 0.253 346 L C 1.668 178.638 176.870 0.166 0.000 1.198 346 L CA 0.547 55.442 54.840 0.091 0.000 0.814 346 L CB 0.156 42.254 42.059 0.064 0.000 1.134 346 L HN 0.285 nan 8.230 nan 0.000 0.478 347 A N 0.491 123.381 122.820 0.118 0.000 2.066 347 A HA 0.352 4.672 4.320 -0.000 0.000 0.218 347 A C 0.918 178.606 177.584 0.173 0.000 1.157 347 A CA 1.267 53.370 52.037 0.110 0.000 0.670 347 A CB -0.306 18.716 19.000 0.036 0.000 0.804 347 A HN 0.986 nan 8.150 nan 0.000 0.453 348 G N -2.804 106.076 108.800 0.134 0.000 2.368 348 G HA2 0.566 4.526 3.960 -0.000 0.000 0.269 348 G HA3 0.566 4.526 3.960 -0.000 0.000 0.269 348 G C -0.974 173.940 174.900 0.024 0.000 1.291 348 G CA -0.098 45.053 45.100 0.085 0.000 0.903 348 G HN 1.222 nan 8.290 nan 0.000 0.483 349 A N -0.355 122.471 122.820 0.011 0.000 2.374 349 A HA 0.850 5.169 4.320 -0.000 0.000 0.317 349 A C -0.241 177.389 177.584 0.075 0.000 1.094 349 A CA -0.468 51.598 52.037 0.048 0.000 0.765 349 A CB 1.840 20.859 19.000 0.032 0.000 1.268 349 A HN 1.374 nan 8.150 nan 0.000 0.438 350 M N 2.561 122.258 119.600 0.161 0.000 2.456 350 M HA 0.624 5.104 4.480 -0.000 0.000 0.324 350 M C -1.970 174.514 176.300 0.306 0.000 1.124 350 M CA -0.530 54.922 55.300 0.252 0.000 0.959 350 M CB 1.511 34.337 32.600 0.376 0.000 1.692 350 M HN 0.403 nan 8.290 nan 0.000 0.444 351 V N 5.237 125.340 119.914 0.315 0.000 2.487 351 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 351 V C -1.227 175.092 176.094 0.375 0.000 1.028 351 V CA -0.648 61.822 62.300 0.285 0.000 0.860 351 V CB 2.035 33.952 31.823 0.157 0.000 0.991 351 V HN 0.873 nan 8.190 nan 0.000 0.427 352 W N 6.015 127.427 121.300 0.187 0.000 2.391 352 W HA 0.803 5.463 4.660 -0.000 0.000 0.312 352 W C -0.616 175.990 176.519 0.145 0.000 1.003 352 W CA -0.502 56.923 57.345 0.133 0.000 1.375 352 W CB 1.565 31.015 29.460 -0.018 0.000 1.253 352 W HN 0.729 nan 8.180 nan 0.000 0.416 353 A N 4.750 127.552 122.820 -0.029 0.000 2.609 353 A HA 0.443 4.763 4.320 -0.000 0.000 0.291 353 A C 0.221 177.744 177.584 -0.102 0.000 1.096 353 A CA -0.647 51.194 52.037 -0.328 0.000 0.684 353 A CB 1.234 19.608 19.000 -1.042 0.000 1.282 353 A HN 0.537 nan 8.150 nan 0.000 0.412 354 L N -0.036 121.138 121.223 -0.081 0.000 2.043 354 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 354 L C 2.013 178.967 176.870 0.141 0.000 1.075 354 L CA 2.501 57.403 54.840 0.102 0.000 0.752 354 L CB -0.514 41.572 42.059 0.045 0.000 0.891 354 L HN 1.019 nan 8.230 nan 0.000 0.432 355 D N -0.764 119.558 120.400 -0.131 0.000 2.371 355 D HA -0.140 4.500 4.640 -0.000 0.000 0.221 355 D C 1.796 178.127 176.300 0.052 0.000 0.986 355 D CA 0.720 54.563 54.000 -0.262 0.000 0.899 355 D CB -0.099 40.412 40.800 -0.480 0.000 0.902 355 D HN 0.343 nan 8.370 nan 0.000 0.530 356 L N -0.695 120.591 121.223 0.106 0.000 2.638 356 L HA 0.213 4.553 4.340 -0.000 0.000 0.232 356 L C 0.873 177.925 176.870 0.304 0.000 1.099 356 L CA -0.310 54.641 54.840 0.185 0.000 0.883 356 L CB 0.072 42.205 42.059 0.123 0.000 1.136 356 L HN 0.041 nan 8.230 nan 0.000 0.492 357 D N 0.395 121.013 120.400 0.363 0.000 2.411 357 D HA -0.028 4.612 4.640 -0.000 0.000 0.251 357 D C -0.272 176.293 176.300 0.443 0.000 1.201 357 D CA -0.192 54.050 54.000 0.403 0.000 0.996 357 D CB 1.003 42.065 40.800 0.438 0.000 1.101 357 D HN -0.149 nan 8.370 nan 0.000 0.504 358 D N 0.764 121.363 120.400 0.331 0.000 2.551 358 D HA 0.002 4.642 4.640 -0.000 0.000 0.223 358 D C 0.946 177.093 176.300 -0.255 0.000 1.144 358 D CA -0.377 53.669 54.000 0.076 0.000 1.025 358 D CB -0.951 39.924 40.800 0.124 0.000 1.085 358 D HN 0.337 nan 8.370 nan 0.000 0.506 359 F N 0.856 120.501 119.950 -0.509 0.000 2.365 359 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 359 F C 1.646 177.031 175.800 -0.691 0.000 1.090 359 F CA 0.559 57.870 58.000 -1.148 0.000 1.408 359 F CB -0.383 38.184 39.000 -0.721 0.000 1.060 359 F HN 0.153 nan 8.300 nan 0.000 0.534 360 Q N 1.082 120.317 119.800 -0.941 0.000 2.212 360 Q HA 0.140 4.480 4.340 -0.000 0.000 0.199 360 Q C 2.089 177.901 176.000 -0.313 0.000 0.950 360 Q CA 1.119 56.563 55.803 -0.598 0.000 0.863 360 Q CB -0.462 27.895 28.738 -0.636 0.000 0.944 360 Q HN 0.707 nan 8.270 nan 0.000 0.465 361 G N 1.099 109.748 108.800 -0.251 0.000 2.159 361 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.256 361 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.256 361 G C 0.931 175.779 174.900 -0.088 0.000 0.977 361 G CA 0.863 45.895 45.100 -0.114 0.000 0.652 361 G HN 0.465 nan 8.290 nan 0.000 0.531 362 S N -1.272 114.351 115.700 -0.128 0.000 2.511 362 S HA 0.437 4.907 4.470 -0.000 0.000 0.214 362 S C 1.548 176.001 174.600 -0.245 0.000 0.997 362 S CA 0.696 58.765 58.200 -0.218 0.000 0.908 362 S CB -0.098 62.877 63.200 -0.374 0.000 0.803 362 S HN 0.243 nan 8.310 nan 0.000 0.504 363 F N 1.017 120.873 119.950 -0.158 0.000 2.619 363 F HA 0.315 4.842 4.527 -0.000 0.000 0.293 363 F C 1.719 177.467 175.800 -0.088 0.000 1.119 363 F CA -0.428 57.508 58.000 -0.107 0.000 1.445 363 F CB -0.154 38.796 39.000 -0.084 0.000 1.119 363 F HN 0.266 nan 8.300 nan 0.000 0.573 364 c N 0.200 118.862 118.600 0.103 0.000 2.693 364 c HA 0.538 5.108 4.570 -0.000 0.000 0.286 364 c C 1.795 175.906 174.090 0.035 0.000 1.277 364 c CA 0.071 56.425 56.329 0.042 0.000 1.705 364 c CB -1.116 41.427 42.510 0.055 0.000 1.879 364 c HN 0.749 nan 8.230 nan 0.000 0.607 365 G N 1.330 110.139 108.800 0.015 0.000 2.176 365 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 365 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 365 G C 0.185 175.092 174.900 0.011 0.000 1.024 365 G CA 0.709 45.812 45.100 0.004 0.000 0.755 365 G HN 0.634 nan 8.290 nan 0.000 0.507 366 Q N -0.243 119.567 119.800 0.016 0.000 1.906 366 Q HA 0.177 4.517 4.340 -0.000 0.000 0.199 366 Q C 0.294 176.303 176.000 0.016 0.000 0.816 366 Q CA 0.073 55.889 55.803 0.020 0.000 0.951 366 Q CB 0.288 29.050 28.738 0.039 0.000 1.246 366 Q HN 0.310 nan 8.270 nan 0.000 0.407 367 D N 1.329 121.728 120.400 -0.003 0.000 2.713 367 D HA -0.202 4.438 4.640 -0.000 0.000 0.231 367 D C -0.601 175.703 176.300 0.007 0.000 1.173 367 D CA 1.450 55.443 54.000 -0.012 0.000 0.628 367 D CB -0.932 39.859 40.800 -0.016 0.000 1.033 367 D HN 0.454 nan 8.370 nan 0.000 0.419 368 L N -2.626 118.612 121.223 0.024 0.000 2.381 368 L HA 0.562 4.902 4.340 -0.000 0.000 0.274 368 L C 0.177 177.078 176.870 0.051 0.000 0.988 368 L CA -1.058 53.812 54.840 0.050 0.000 0.824 368 L CB 1.829 43.931 42.059 0.073 0.000 1.263 368 L HN -0.276 nan 8.230 nan 0.000 0.410 369 R N 2.622 123.154 120.500 0.053 0.000 2.543 369 R HA 0.368 4.707 4.340 -0.000 0.000 0.277 369 R C -0.804 175.597 176.300 0.169 0.000 1.074 369 R CA -0.410 55.684 56.100 -0.011 0.000 1.076 369 R CB 0.131 30.449 30.300 0.030 0.000 0.993 369 R HN 0.733 nan 8.270 nan 0.000 0.459 370 F N 0.741 120.780 119.950 0.149 0.000 2.667 370 F HA -0.156 4.370 4.527 -0.000 0.000 0.250 370 F C -1.692 174.186 175.800 0.130 0.000 1.029 370 F CA -0.306 57.786 58.000 0.155 0.000 0.944 370 F CB -1.093 37.986 39.000 0.131 0.000 0.994 370 F HN 0.547 nan 8.300 nan 0.000 0.842 371 P HA -0.162 nan 4.420 nan 0.000 0.216 371 P C 1.909 179.293 177.300 0.140 0.000 1.153 371 P CA 1.469 64.693 63.100 0.206 0.000 0.848 371 P CB 0.226 32.086 31.700 0.268 0.000 0.787 372 L N -1.328 119.949 121.223 0.090 0.000 2.044 372 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 372 L C 2.318 179.221 176.870 0.056 0.000 1.075 372 L CA 1.856 56.686 54.840 -0.017 0.000 0.747 372 L CB -1.732 40.231 42.059 -0.160 0.000 0.903 372 L HN 0.010 nan 8.230 nan 0.000 0.435 373 T N -0.642 113.988 114.554 0.127 0.000 2.788 373 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 373 T C 1.742 176.490 174.700 0.080 0.000 1.044 373 T CA 1.094 63.252 62.100 0.097 0.000 1.139 373 T CB -0.234 68.689 68.868 0.091 0.000 0.867 373 T HN 0.264 nan 8.240 nan 0.000 0.454 374 N N 1.074 119.847 118.700 0.122 0.000 2.270 374 N HA 0.059 4.799 4.740 -0.000 0.000 0.181 374 N C 2.118 177.670 175.510 0.070 0.000 1.016 374 N CA 1.056 54.167 53.050 0.101 0.000 0.870 374 N CB -0.259 38.310 38.487 0.137 0.000 0.979 374 N HN 0.426 nan 8.380 nan 0.000 0.431 375 A N 1.105 123.963 122.820 0.064 0.000 1.930 375 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 375 A C 2.281 179.880 177.584 0.025 0.000 1.175 375 A CA 0.719 52.780 52.037 0.040 0.000 0.627 375 A CB -0.476 18.541 19.000 0.028 0.000 0.815 375 A HN 0.178 nan 8.150 nan 0.000 0.443 376 I N -0.443 120.141 120.570 0.023 0.000 2.179 376 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 376 I C 2.524 178.645 176.117 0.006 0.000 1.088 376 I CA 1.848 63.154 61.300 0.009 0.000 1.357 376 I CB -0.250 37.761 38.000 0.017 0.000 1.051 376 I HN 0.378 nan 8.210 nan 0.000 0.409 377 K N 1.001 121.414 120.400 0.023 0.000 2.063 377 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 377 K C 1.620 178.237 176.600 0.029 0.000 1.048 377 K CA 2.089 58.394 56.287 0.029 0.000 0.928 377 K CB -0.060 32.463 32.500 0.039 0.000 0.713 377 K HN 0.233 nan 8.250 nan 0.000 0.442 378 D N 0.275 120.693 120.400 0.030 0.000 2.144 378 D HA -0.110 4.529 4.640 -0.000 0.000 0.200 378 D C 1.775 178.086 176.300 0.018 0.000 0.978 378 D CA 1.291 55.308 54.000 0.028 0.000 0.833 378 D CB -0.189 40.630 40.800 0.032 0.000 0.961 378 D HN 0.386 nan 8.370 nan 0.000 0.470 379 A N 0.631 123.453 122.820 0.004 0.000 1.898 379 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 379 A C 2.353 179.912 177.584 -0.041 0.000 1.181 379 A CA 0.707 52.736 52.037 -0.014 0.000 0.620 379 A CB -0.719 18.267 19.000 -0.024 0.000 0.819 379 A HN 0.180 nan 8.150 nan 0.000 0.442 380 L N -0.823 120.365 121.223 -0.059 0.000 2.046 380 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 380 L C 2.991 179.900 176.870 0.066 0.000 1.077 380 L CA 1.193 55.971 54.840 -0.103 0.000 0.747 380 L CB -0.415 41.604 42.059 -0.066 0.000 0.896 380 L HN 0.445 nan 8.230 nan 0.000 0.432 381 A N -0.478 122.386 122.820 0.073 0.000 2.067 381 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 381 A C 2.409 180.037 177.584 0.072 0.000 1.156 381 A CA 1.047 53.138 52.037 0.091 0.000 0.683 381 A CB -0.439 18.598 19.000 0.063 0.000 0.808 381 A HN 0.359 nan 8.150 nan 0.000 0.455 382 A N -1.668 121.182 122.820 0.050 0.000 2.172 382 A HA 0.412 4.731 4.320 -0.000 0.000 0.216 382 A C 1.246 178.861 177.584 0.052 0.000 1.154 382 A CA 2.265 54.327 52.037 0.041 0.000 0.701 382 A CB -0.869 18.147 19.000 0.027 0.000 0.789 382 A HN 1.307 nan 8.150 nan 0.000 0.465 383 T N 0.000 114.600 114.554 0.077 0.000 3.816 383 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 383 T CA 0.000 nan 62.100 nan 0.000 1.349 383 T CB 0.000 nan 68.868 nan 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658