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 1hr7_1_D DATA FIRST_RESID 22 DATA SEQUENCE QIPGTRTSKL PNGLTIATEY IPNTSSATVG IFVDAGSRAE NVKNNGTAHF DATA SEQUENCE LQHLAFKGTQ NRPQQGIELE IENIGSHLNA YTSRENTVYY AKSLQEDIPK DATA SEQUENCE AVDILSDILT KSVLDNSAIE RERDVIIRES EEVDKMYDEV VFDHLHEITY DATA SEQUENCE KDQPLGRTIL GPIKNIKSIT RTDLKDYITK NYKGDRMVLA GAGAVDHEKL DATA SEQUENCE VQYAQKYFGH VPKSESPVPL GSPRGPLPVF CRGERFIKEN TLPTTHIAIA DATA SEQUENCE LEGVSWSAPD YFVALATQAI VGNWDRAIGT GTNSPSPLAV AASQNGSLAN DATA SEQUENCE SYMSFSTSYA DSGLWGMYIV TDSNEHNVRL IVNEILKEWK RIKSGKISDA DATA SEQUENCE EVNRAKAQLK AALLLSLDGS TAIVEDIGRQ VVTTGKRLSP EEVFEQVDKI DATA SEQUENCE TKDDIIMWAN YRLQNKPVSM VALGNTSTVP NVSYIEEKLN Q 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 22 Q C 0.000 176.007 176.000 0.012 0.000 1.003 22 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 22 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 23 I N -0.192 120.378 120.570 -0.000 0.000 2.529 23 I HA 0.536 4.706 4.170 -0.000 0.000 0.284 23 I C -1.776 174.346 176.117 0.010 0.000 1.082 23 I CA -1.720 59.580 61.300 -0.001 0.000 1.406 23 I CB 0.481 38.469 38.000 -0.020 0.000 1.405 23 I HN 0.237 nan 8.210 nan 0.000 0.548 24 P HA 0.237 nan 4.420 nan 0.000 0.267 24 P C 0.116 177.425 177.300 0.014 0.000 1.205 24 P CA -0.030 63.095 63.100 0.042 0.000 0.765 24 P CB 0.805 32.548 31.700 0.073 0.000 0.828 25 G N 1.366 110.169 108.800 0.006 0.000 2.613 25 G HA2 0.486 4.446 3.960 -0.000 0.000 0.303 25 G HA3 0.486 4.446 3.960 -0.000 0.000 0.303 25 G C -0.881 174.003 174.900 -0.026 0.000 1.312 25 G CA -0.537 44.554 45.100 -0.015 0.000 1.036 25 G HN 0.371 nan 8.290 nan 0.000 0.513 26 T N 1.801 116.327 114.554 -0.046 0.000 2.733 26 T HA 0.365 4.715 4.350 -0.000 0.000 0.294 26 T C 0.195 174.820 174.700 -0.125 0.000 0.956 26 T CA -0.433 61.625 62.100 -0.070 0.000 0.987 26 T CB 0.566 69.396 68.868 -0.062 0.000 0.920 26 T HN 0.332 nan 8.240 nan 0.000 0.470 27 R N 2.661 123.029 120.500 -0.221 0.000 2.441 27 R HA 0.549 4.889 4.340 -0.000 0.000 0.284 27 R C -0.175 175.867 176.300 -0.430 0.000 1.070 27 R CA -0.470 55.376 56.100 -0.424 0.000 1.047 27 R CB 0.565 30.384 30.300 -0.800 0.000 1.016 27 R HN 0.468 nan 8.270 nan 0.000 0.477 28 T N 0.431 114.837 114.554 -0.246 0.000 2.907 28 T HA 0.503 4.853 4.350 -0.000 0.000 0.292 28 T C -0.641 174.136 174.700 0.127 0.000 1.043 28 T CA -0.589 61.496 62.100 -0.026 0.000 1.003 28 T CB 1.974 70.826 68.868 -0.027 0.000 1.084 28 T HN 0.478 nan 8.240 nan 0.000 0.483 29 S N 1.223 117.029 115.700 0.176 0.000 2.535 29 S HA 0.473 4.943 4.470 -0.000 0.000 0.272 29 S C -1.262 173.370 174.600 0.054 0.000 1.149 29 S CA -0.889 57.390 58.200 0.132 0.000 0.888 29 S CB 1.975 65.268 63.200 0.154 0.000 1.110 29 S HN 0.555 nan 8.310 nan 0.000 0.463 30 K N 1.748 122.165 120.400 0.027 0.000 2.244 30 K HA 0.557 4.877 4.320 -0.000 0.000 0.260 30 K C -1.082 175.520 176.600 0.003 0.000 0.951 30 K CA -0.740 55.551 56.287 0.008 0.000 0.826 30 K CB 1.044 33.547 32.500 0.004 0.000 1.108 30 K HN 0.351 nan 8.250 nan 0.000 0.433 31 L N 5.240 126.462 121.223 -0.003 0.000 2.456 31 L HA 0.246 4.586 4.340 -0.000 0.000 0.257 31 L C -1.310 175.561 176.870 0.002 0.000 1.162 31 L CA -1.602 53.238 54.840 0.000 0.000 0.808 31 L CB 0.527 42.590 42.059 0.006 0.000 1.136 31 L HN 0.592 nan 8.230 nan 0.000 0.466 32 P HA -0.159 nan 4.420 nan 0.000 0.218 32 P C 0.411 177.714 177.300 0.005 0.000 1.148 32 P CA 1.305 64.407 63.100 0.004 0.000 0.822 32 P CB -0.120 31.582 31.700 0.004 0.000 0.784 33 N N -0.931 117.773 118.700 0.008 0.000 2.449 33 N HA 0.076 4.816 4.740 -0.000 0.000 0.191 33 N C 1.347 176.858 175.510 0.002 0.000 1.161 33 N CA 0.867 53.921 53.050 0.007 0.000 0.863 33 N CB -0.800 37.692 38.487 0.009 0.000 0.980 33 N HN 0.276 nan 8.380 nan 0.000 0.458 34 G N -0.499 108.300 108.800 -0.001 0.000 2.279 34 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.223 34 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.223 34 G C -0.135 174.756 174.900 -0.015 0.000 1.015 34 G CA 0.024 45.121 45.100 -0.005 0.000 0.621 34 G HN 0.503 nan 8.290 nan 0.000 0.506 35 L N 3.254 124.465 121.223 -0.021 0.000 2.601 35 L HA 0.504 4.844 4.340 -0.000 0.000 0.277 35 L C 0.493 177.338 176.870 -0.043 0.000 1.219 35 L CA 1.076 55.888 54.840 -0.046 0.000 0.915 35 L CB 0.411 42.433 42.059 -0.062 0.000 1.160 35 L HN 0.225 nan 8.230 nan 0.000 0.494 36 T N 6.659 121.182 114.554 -0.052 0.000 2.837 36 T HA 0.524 4.874 4.350 -0.000 0.000 0.285 36 T C -0.132 174.545 174.700 -0.038 0.000 0.984 36 T CA -0.343 61.736 62.100 -0.036 0.000 1.049 36 T CB 0.972 69.816 68.868 -0.040 0.000 0.947 36 T HN 0.339 nan 8.240 nan 0.000 0.472 37 I N 2.942 123.515 120.570 0.005 0.000 2.390 37 I HA 0.527 4.697 4.170 -0.000 0.000 0.283 37 I C 0.160 176.360 176.117 0.137 0.000 1.016 37 I CA -1.061 60.262 61.300 0.038 0.000 1.151 37 I CB 0.412 38.417 38.000 0.008 0.000 1.293 37 I HN 0.672 nan 8.210 nan 0.000 0.458 38 A N 4.519 127.380 122.820 0.068 0.000 2.318 38 A HA 0.821 5.141 4.320 -0.000 0.000 0.324 38 A C -0.139 177.484 177.584 0.064 0.000 1.170 38 A CA -0.468 51.593 52.037 0.040 0.000 0.810 38 A CB 1.508 20.474 19.000 -0.056 0.000 1.198 38 A HN 0.614 nan 8.150 nan 0.000 0.484 39 T N 0.840 115.431 114.554 0.062 0.000 2.903 39 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 39 T C -1.503 173.216 174.700 0.031 0.000 1.093 39 T CA -0.398 61.758 62.100 0.094 0.000 1.002 39 T CB 1.437 70.473 68.868 0.280 0.000 1.127 39 T HN 0.718 nan 8.240 nan 0.000 0.488 40 E N 2.501 122.735 120.200 0.058 0.000 2.302 40 E HA 0.262 4.612 4.350 -0.000 0.000 0.263 40 E C -1.723 174.931 176.600 0.091 0.000 0.897 40 E CA -0.646 55.785 56.400 0.051 0.000 0.809 40 E CB 1.052 30.758 29.700 0.009 0.000 1.270 40 E HN 0.646 nan 8.360 nan 0.000 0.410 41 Y N 5.622 125.929 120.300 0.012 0.000 2.425 41 Y HA 0.228 4.778 4.550 -0.000 0.000 0.331 41 Y C -0.673 175.237 175.900 0.015 0.000 1.157 41 Y CA -0.188 57.926 58.100 0.023 0.000 1.372 41 Y CB 0.495 38.969 38.460 0.024 0.000 1.253 41 Y HN 0.369 nan 8.280 nan 0.000 0.536 42 I N 9.080 129.206 120.570 -0.741 0.000 2.382 42 I HA 0.300 4.470 4.170 -0.000 0.000 0.285 42 I C -2.415 173.160 176.117 -0.904 0.000 1.007 42 I CA -2.987 57.967 61.300 -0.577 0.000 1.142 42 I CB 0.939 38.767 38.000 -0.286 0.000 1.289 42 I HN 0.538 nan 8.210 nan 0.000 0.453 43 P HA 0.102 nan 4.420 nan 0.000 0.267 43 P C -0.089 177.112 177.300 -0.164 0.000 1.200 43 P CA 0.181 63.102 63.100 -0.299 0.000 0.772 43 P CB 0.231 31.924 31.700 -0.013 0.000 0.855 44 N N -1.389 117.287 118.700 -0.040 0.000 2.738 44 N HA -0.125 4.615 4.740 -0.000 0.000 0.249 44 N C -0.623 174.865 175.510 -0.038 0.000 1.047 44 N CA 0.595 53.636 53.050 -0.015 0.000 0.707 44 N CB -1.312 37.167 38.487 -0.012 0.000 0.937 44 N HN 0.632 nan 8.380 nan 0.000 0.545 45 T N -4.464 110.062 114.554 -0.046 0.000 2.883 45 T HA 0.636 4.986 4.350 -0.000 0.000 0.301 45 T C 0.293 174.999 174.700 0.010 0.000 1.158 45 T CA -0.689 61.390 62.100 -0.035 0.000 1.007 45 T CB 2.246 71.067 68.868 -0.079 0.000 1.186 45 T HN -0.077 nan 8.240 nan 0.000 0.499 46 S N 0.474 116.186 115.700 0.020 0.000 2.900 46 S HA 0.419 4.889 4.470 -0.000 0.000 0.253 46 S C 0.160 174.784 174.600 0.040 0.000 1.029 46 S CA -0.427 57.797 58.200 0.039 0.000 1.096 46 S CB 0.095 63.316 63.200 0.035 0.000 1.067 46 S HN 1.050 nan 8.310 nan 0.000 0.610 47 S N 0.773 116.493 115.700 0.034 0.000 2.627 47 S HA 0.989 5.459 4.470 -0.000 0.000 0.283 47 S C -0.585 174.042 174.600 0.046 0.000 1.127 47 S CA -0.762 57.465 58.200 0.044 0.000 0.863 47 S CB 2.054 65.282 63.200 0.046 0.000 1.121 47 S HN 0.432 nan 8.310 nan 0.000 0.479 48 A N 0.357 123.214 122.820 0.062 0.000 2.568 48 A HA 0.899 5.219 4.320 -0.000 0.000 0.291 48 A C -1.008 176.633 177.584 0.095 0.000 1.159 48 A CA -0.842 51.237 52.037 0.070 0.000 0.679 48 A CB 1.233 20.280 19.000 0.078 0.000 1.285 48 A HN 0.832 nan 8.150 nan 0.000 0.428 49 T N 0.502 115.120 114.554 0.107 0.000 2.881 49 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 49 T C -1.177 173.618 174.700 0.159 0.000 1.000 49 T CA -0.291 61.898 62.100 0.150 0.000 0.978 49 T CB 1.334 70.289 68.868 0.146 0.000 0.997 49 T HN 0.814 nan 8.240 nan 0.000 0.443 50 V N 1.930 121.957 119.914 0.189 0.000 2.656 50 V HA 0.952 5.072 4.120 -0.000 0.000 0.307 50 V C 0.302 176.543 176.094 0.246 0.000 1.051 50 V CA -0.669 61.744 62.300 0.187 0.000 0.893 50 V CB 2.045 33.956 31.823 0.147 0.000 0.999 50 V HN 1.074 nan 8.190 nan 0.000 0.426 51 G N 2.745 111.708 108.800 0.272 0.000 2.706 51 G HA2 0.669 4.629 3.960 -0.000 0.000 0.297 51 G HA3 0.669 4.629 3.960 -0.000 0.000 0.297 51 G C -2.002 173.059 174.900 0.268 0.000 1.403 51 G CA -0.619 44.649 45.100 0.279 0.000 0.954 51 G HN 0.586 nan 8.290 nan 0.000 0.500 52 I N 1.081 121.705 120.570 0.089 0.000 2.339 52 I HA 0.728 4.898 4.170 -0.000 0.000 0.290 52 I C -1.533 174.556 176.117 -0.047 0.000 0.994 52 I CA -1.709 59.615 61.300 0.040 0.000 1.191 52 I CB 0.546 38.525 38.000 -0.035 0.000 1.343 52 I HN 0.215 nan 8.210 nan 0.000 0.458 53 F N 6.635 126.532 119.950 -0.089 0.000 2.444 53 F HA 0.622 5.149 4.527 0.000 0.000 0.342 53 F C -0.191 175.555 175.800 -0.090 0.000 1.121 53 F CA -0.846 57.106 58.000 -0.079 0.000 0.997 53 F CB 1.710 40.663 39.000 -0.079 0.000 1.130 53 F HN 0.060 nan 8.300 nan 0.000 0.454 54 V N 1.780 121.728 119.914 0.057 0.000 2.487 54 V HA 0.222 4.342 4.120 -0.000 0.000 0.298 54 V C -0.619 175.522 176.094 0.078 0.000 1.028 54 V CA -0.991 61.317 62.300 0.013 0.000 0.860 54 V CB 1.831 33.583 31.823 -0.117 0.000 0.991 54 V HN 0.630 nan 8.190 nan 0.000 0.427 55 D N 3.880 124.324 120.400 0.074 0.000 2.441 55 D HA 0.542 5.182 4.640 -0.000 0.000 0.243 55 D C 0.334 176.699 176.300 0.109 0.000 1.257 55 D CA 0.840 54.895 54.000 0.092 0.000 1.027 55 D CB 0.699 41.539 40.800 0.066 0.000 1.084 55 D HN 0.711 nan 8.370 nan 0.000 0.514 56 A N 2.498 125.412 122.820 0.156 0.000 1.681 56 A HA 0.768 5.088 4.320 -0.000 0.000 0.160 56 A C 1.192 178.932 177.584 0.260 0.000 1.621 56 A CA 0.397 52.560 52.037 0.211 0.000 1.937 56 A CB -0.376 18.822 19.000 0.331 0.000 1.902 56 A HN 1.125 nan 8.150 nan 0.000 1.132 57 G N -0.552 108.443 108.800 0.326 0.000 2.749 57 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.242 57 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.242 57 G C 0.962 176.015 174.900 0.255 0.000 1.364 57 G CA 1.015 46.268 45.100 0.255 0.000 0.888 57 G HN 2.028 nan 8.290 nan 0.000 0.566 58 S N -0.349 115.445 115.700 0.157 0.000 2.481 58 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 58 S C 2.066 176.728 174.600 0.104 0.000 0.996 58 S CA 1.456 59.728 58.200 0.120 0.000 0.942 58 S CB -0.190 63.046 63.200 0.059 0.000 0.768 58 S HN 1.262 nan 8.310 nan 0.000 0.520 59 R N 1.041 121.589 120.500 0.079 0.000 2.316 59 R HA 0.288 4.628 4.340 -0.000 0.000 0.202 59 R C 1.535 177.873 176.300 0.064 0.000 1.029 59 R CA 0.877 56.994 56.100 0.028 0.000 1.018 59 R CB -0.441 29.846 30.300 -0.023 0.000 0.888 59 R HN 0.410 nan 8.270 nan 0.000 0.471 60 A N 0.714 123.615 122.820 0.134 0.000 2.379 60 A HA 0.171 4.491 4.320 -0.000 0.000 0.236 60 A C -0.319 177.362 177.584 0.162 0.000 1.272 60 A CA -0.420 51.685 52.037 0.113 0.000 0.886 60 A CB 0.064 19.106 19.000 0.070 0.000 0.962 60 A HN 0.453 nan 8.150 nan 0.000 0.504 61 E N 0.132 120.439 120.200 0.178 0.000 2.259 61 E HA 0.441 4.791 4.350 -0.000 0.000 0.257 61 E C -0.658 175.995 176.600 0.088 0.000 0.998 61 E CA -0.874 55.626 56.400 0.166 0.000 0.866 61 E CB 0.800 30.591 29.700 0.152 0.000 1.220 61 E HN 0.581 nan 8.360 nan 0.000 0.415 62 N N -1.836 116.907 118.700 0.072 0.000 2.890 62 N HA 0.203 4.943 4.740 -0.000 0.000 0.317 62 N C 0.405 175.939 175.510 0.040 0.000 1.355 62 N CA -0.750 52.327 53.050 0.046 0.000 0.803 62 N CB 0.276 38.786 38.487 0.038 0.000 1.465 62 N HN 0.162 nan 8.380 nan 0.000 0.591 63 V N -0.362 119.570 119.914 0.031 0.000 2.332 63 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 63 V C 1.778 177.887 176.094 0.025 0.000 1.055 63 V CA 1.647 63.963 62.300 0.026 0.000 1.038 63 V CB -0.688 31.149 31.823 0.022 0.000 0.651 63 V HN 0.622 nan 8.190 nan 0.000 0.450 64 K N -0.236 120.178 120.400 0.024 0.000 2.361 64 K HA 0.050 4.370 4.320 -0.000 0.000 0.196 64 K C 1.826 178.440 176.600 0.022 0.000 1.039 64 K CA 0.523 56.822 56.287 0.020 0.000 1.001 64 K CB -0.393 32.116 32.500 0.015 0.000 0.795 64 K HN 0.403 nan 8.250 nan 0.000 0.495 65 N N 1.638 120.358 118.700 0.033 0.000 2.333 65 N HA -0.089 4.651 4.740 -0.000 0.000 0.178 65 N C 0.196 175.733 175.510 0.045 0.000 1.018 65 N CA 0.140 53.217 53.050 0.044 0.000 0.882 65 N CB -0.159 38.373 38.487 0.075 0.000 0.984 65 N HN 0.195 nan 8.380 nan 0.000 0.434 66 N N -0.308 118.420 118.700 0.046 0.000 2.142 66 N HA -0.072 4.668 4.740 -0.000 0.000 0.282 66 N C 0.530 176.070 175.510 0.050 0.000 1.342 66 N CA 0.923 53.999 53.050 0.045 0.000 0.831 66 N CB -0.073 38.434 38.487 0.034 0.000 1.083 66 N HN 0.496 nan 8.380 nan 0.000 0.492 67 G N 1.911 110.744 108.800 0.056 0.000 2.211 67 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.201 67 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.201 67 G C 0.937 175.908 174.900 0.119 0.000 0.997 67 G CA 0.300 45.460 45.100 0.100 0.000 0.652 67 G HN 0.585 nan 8.290 nan 0.000 0.500 68 T N 1.294 115.853 114.554 0.008 0.000 2.708 68 T HA 0.146 4.496 4.350 -0.000 0.000 0.266 68 T C 2.793 177.366 174.700 -0.211 0.000 1.037 68 T CA 2.527 64.569 62.100 -0.098 0.000 1.146 68 T CB -0.465 68.293 68.868 -0.184 0.000 0.865 68 T HN 1.159 nan 8.240 nan 0.000 0.435 69 A N 1.541 124.126 122.820 -0.392 0.000 1.873 69 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 69 A C 2.147 179.740 177.584 0.015 0.000 1.193 69 A CA 2.111 53.938 52.037 -0.350 0.000 0.629 69 A CB -1.159 17.733 19.000 -0.180 0.000 0.826 69 A HN 0.744 nan 8.150 nan 0.000 0.447 70 H N -2.297 116.778 119.070 0.008 0.000 2.319 70 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 70 H C 2.008 177.420 175.328 0.139 0.000 1.092 70 H CA 2.009 58.104 56.048 0.078 0.000 1.302 70 H CB -0.313 29.471 29.762 0.036 0.000 1.373 70 H HN 0.422 nan 8.280 nan 0.000 0.497 71 F N 1.384 121.222 119.950 -0.186 0.000 2.091 71 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 71 F C 2.734 178.472 175.800 -0.103 0.000 1.103 71 F CA 1.252 59.109 58.000 -0.238 0.000 1.228 71 F CB -0.720 38.196 39.000 -0.140 0.000 0.984 71 F HN 0.118 nan 8.300 nan 0.000 0.477 72 L N -0.277 121.071 121.223 0.207 0.000 2.079 72 L HA -0.298 4.042 4.340 -0.000 0.000 0.210 72 L C 2.617 179.634 176.870 0.246 0.000 1.081 72 L CA 1.856 56.804 54.840 0.179 0.000 0.752 72 L CB -0.671 41.453 42.059 0.107 0.000 0.896 72 L HN 0.294 nan 8.230 nan 0.000 0.433 73 Q N -0.758 119.184 119.800 0.237 0.000 2.084 73 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 73 Q C 2.103 178.301 176.000 0.330 0.000 0.978 73 Q CA 1.591 57.565 55.803 0.285 0.000 0.844 73 Q CB -0.100 28.723 28.738 0.141 0.000 0.898 73 Q HN 0.626 nan 8.270 nan 0.000 0.426 74 H N -0.514 118.585 119.070 0.048 0.000 2.357 74 H HA -0.117 4.439 4.556 -0.000 0.000 0.301 74 H C 2.055 177.500 175.328 0.195 0.000 1.082 74 H CA 1.110 57.198 56.048 0.066 0.000 1.342 74 H CB 0.361 30.025 29.762 -0.162 0.000 1.389 74 H HN 0.235 nan 8.280 nan 0.000 0.511 75 L N 0.723 122.128 121.223 0.304 0.000 2.141 75 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 75 L C 2.686 179.646 176.870 0.150 0.000 1.094 75 L CA 1.191 56.165 54.840 0.223 0.000 0.763 75 L CB -1.093 41.087 42.059 0.203 0.000 0.908 75 L HN 0.173 nan 8.230 nan 0.000 0.437 76 A N -1.711 121.180 122.820 0.118 0.000 2.186 76 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 76 A C 1.722 179.139 177.584 -0.278 0.000 1.159 76 A CA 1.244 53.221 52.037 -0.100 0.000 0.680 76 A CB -0.836 18.074 19.000 -0.151 0.000 0.787 76 A HN 0.397 nan 8.150 nan 0.000 0.467 77 F N -1.185 118.803 119.950 0.062 0.000 2.678 77 F HA 0.206 4.733 4.527 -0.000 0.000 0.305 77 F C 1.453 177.261 175.800 0.013 0.000 1.090 77 F CA 0.096 58.111 58.000 0.025 0.000 1.272 77 F CB 0.680 39.682 39.000 0.004 0.000 1.060 77 F HN -0.064 nan 8.300 nan 0.000 0.576 78 K N 0.664 121.156 120.400 0.153 0.000 2.404 78 K HA 0.423 4.743 4.320 -0.000 0.000 0.194 78 K C 0.631 177.262 176.600 0.052 0.000 1.023 78 K CA 0.429 56.777 56.287 0.102 0.000 1.094 78 K CB 0.139 32.700 32.500 0.102 0.000 0.841 78 K HN 0.242 nan 8.250 nan 0.000 0.523 79 G N 1.082 109.897 108.800 0.024 0.000 2.535 79 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.662 79 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.662 79 G C -0.501 174.384 174.900 -0.026 0.000 1.417 79 G CA -0.532 44.567 45.100 -0.002 0.000 0.866 79 G HN 0.075 nan 8.290 nan 0.000 0.647 80 T N -1.331 113.199 114.554 -0.041 0.000 2.910 80 T HA 0.624 4.974 4.350 -0.000 0.000 0.287 80 T C 1.077 175.751 174.700 -0.044 0.000 1.050 80 T CA -0.295 61.773 62.100 -0.054 0.000 1.011 80 T CB 1.898 70.717 68.868 -0.081 0.000 1.195 80 T HN 0.615 nan 8.240 nan 0.000 0.540 81 Q N 0.335 120.107 119.800 -0.047 0.000 2.541 81 Q HA 0.064 4.404 4.340 -0.000 0.000 0.215 81 Q C 0.835 176.809 176.000 -0.044 0.000 0.977 81 Q CA 0.585 56.363 55.803 -0.041 0.000 0.934 81 Q CB -0.169 28.543 28.738 -0.044 0.000 0.988 81 Q HN 0.498 nan 8.270 nan 0.000 0.521 82 N N -0.119 118.551 118.700 -0.050 0.000 2.272 82 N HA 0.128 4.868 4.740 -0.000 0.000 0.228 82 N C -0.344 175.141 175.510 -0.043 0.000 1.206 82 N CA 0.226 53.248 53.050 -0.048 0.000 0.855 82 N CB 1.034 39.485 38.487 -0.060 0.000 1.248 82 N HN 0.047 nan 8.380 nan 0.000 0.476 83 R N 1.313 121.786 120.500 -0.046 0.000 2.538 83 R HA 0.408 4.748 4.340 -0.000 0.000 0.292 83 R C -2.695 173.588 176.300 -0.027 0.000 1.008 83 R CA -1.374 54.703 56.100 -0.038 0.000 0.896 83 R CB 2.802 33.073 30.300 -0.049 0.000 1.187 83 R HN -0.017 nan 8.270 nan 0.000 0.440 84 P HA -0.018 nan 4.420 nan 0.000 0.274 84 P C -0.081 177.220 177.300 0.001 0.000 1.256 84 P CA -0.300 62.796 63.100 -0.007 0.000 0.795 84 P CB 1.048 32.745 31.700 -0.005 0.000 1.038 85 Q N 0.516 120.324 119.800 0.014 0.000 1.967 85 Q HA -0.272 4.068 4.340 -0.000 0.000 0.210 85 Q C 2.101 178.116 176.000 0.025 0.000 1.005 85 Q CA 1.922 57.744 55.803 0.032 0.000 0.862 85 Q CB -0.479 28.285 28.738 0.043 0.000 0.939 85 Q HN 0.439 nan 8.270 nan 0.000 0.417 86 Q N -0.686 119.123 119.800 0.015 0.000 2.376 86 Q HA -0.150 4.190 4.340 -0.000 0.000 0.211 86 Q C 1.674 177.674 176.000 -0.000 0.000 0.986 86 Q CA 1.317 57.124 55.803 0.006 0.000 0.886 86 Q CB -0.209 28.530 28.738 0.002 0.000 0.927 86 Q HN 0.580 nan 8.270 nan 0.000 0.457 87 G N 0.510 109.309 108.800 -0.003 0.000 2.408 87 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.215 87 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.215 87 G C 1.400 176.291 174.900 -0.014 0.000 1.156 87 G CA 0.347 45.440 45.100 -0.011 0.000 0.793 87 G HN 0.317 nan 8.290 nan 0.000 0.535 88 I N 0.660 121.226 120.570 -0.007 0.000 2.163 88 I HA -0.118 4.052 4.170 -0.000 0.000 0.240 88 I C 2.742 178.860 176.117 0.002 0.000 1.081 88 I CA 1.212 62.508 61.300 -0.005 0.000 1.353 88 I CB -0.335 37.674 38.000 0.015 0.000 1.054 88 I HN 0.220 nan 8.210 nan 0.000 0.407 89 E N 0.902 121.110 120.200 0.015 0.000 2.033 89 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 89 E C 2.281 178.870 176.600 -0.019 0.000 1.011 89 E CA 1.269 57.670 56.400 0.002 0.000 0.815 89 E CB -0.317 29.384 29.700 0.002 0.000 0.755 89 E HN 0.359 nan 8.360 nan 0.000 0.451 90 L N 1.414 122.627 121.223 -0.018 0.000 2.127 90 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 90 L C 2.216 179.067 176.870 -0.031 0.000 1.089 90 L CA 1.820 56.645 54.840 -0.024 0.000 0.757 90 L CB -0.456 41.592 42.059 -0.018 0.000 0.899 90 L HN 0.236 nan 8.230 nan 0.000 0.434 91 E N -0.412 119.769 120.200 -0.032 0.000 2.046 91 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 91 E C 2.273 178.843 176.600 -0.049 0.000 0.982 91 E CA 0.904 57.281 56.400 -0.039 0.000 0.800 91 E CB 0.161 29.836 29.700 -0.042 0.000 0.756 91 E HN 0.373 nan 8.360 nan 0.000 0.449 92 I N 1.819 122.357 120.570 -0.053 0.000 2.179 92 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 92 I C 2.191 178.247 176.117 -0.102 0.000 1.088 92 I CA 1.430 62.686 61.300 -0.074 0.000 1.357 92 I CB -1.172 36.788 38.000 -0.066 0.000 1.051 92 I HN 0.217 nan 8.210 nan 0.000 0.409 93 E N 0.663 120.810 120.200 -0.089 0.000 2.153 93 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 93 E C 1.796 178.352 176.600 -0.073 0.000 0.988 93 E CA 0.823 57.166 56.400 -0.095 0.000 0.811 93 E CB -0.283 29.378 29.700 -0.066 0.000 0.746 93 E HN 0.538 nan 8.360 nan 0.000 0.466 94 N N 1.177 119.844 118.700 -0.055 0.000 2.244 94 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 94 N C 2.054 177.539 175.510 -0.042 0.000 1.016 94 N CA 0.911 53.936 53.050 -0.042 0.000 0.866 94 N CB -0.057 38.410 38.487 -0.033 0.000 0.980 94 N HN 0.389 nan 8.380 nan 0.000 0.430 95 I N -3.840 116.699 120.570 -0.051 0.000 3.883 95 I HA 0.358 4.528 4.170 -0.000 0.000 0.326 95 I C 0.769 176.855 176.117 -0.052 0.000 1.283 95 I CA 0.128 61.402 61.300 -0.043 0.000 1.161 95 I CB -0.151 37.825 38.000 -0.041 0.000 1.012 95 I HN -0.053 nan 8.210 nan 0.000 0.421 96 G N 1.761 110.511 108.800 -0.083 0.000 2.212 96 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.255 96 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.255 96 G C 0.018 174.818 174.900 -0.166 0.000 1.062 96 G CA 0.366 45.399 45.100 -0.113 0.000 0.815 96 G HN 0.481 nan 8.290 nan 0.000 0.497 97 S N -0.532 115.042 115.700 -0.210 0.000 2.745 97 S HA 0.863 5.333 4.470 -0.000 0.000 0.292 97 S C -0.168 174.168 174.600 -0.440 0.000 1.127 97 S CA -0.707 57.383 58.200 -0.184 0.000 1.007 97 S CB 1.112 64.267 63.200 -0.075 0.000 1.165 97 S HN 0.433 nan 8.310 nan 0.000 0.544 98 H N 0.123 119.191 119.070 -0.004 0.000 2.771 98 H HA 0.507 5.063 4.556 -0.000 0.000 0.361 98 H C -1.511 173.783 175.328 -0.057 0.000 1.108 98 H CA -0.567 55.466 56.048 -0.024 0.000 1.201 98 H CB 1.676 31.432 29.762 -0.010 0.000 1.681 98 H HN 0.207 nan 8.280 nan 0.000 0.534 99 L N 3.018 124.259 121.223 0.030 0.000 2.365 99 L HA 0.455 4.795 4.340 -0.000 0.000 0.273 99 L C -0.531 176.282 176.870 -0.095 0.000 1.000 99 L CA -0.290 54.546 54.840 -0.007 0.000 0.819 99 L CB 1.310 43.439 42.059 0.117 0.000 1.284 99 L HN 0.638 nan 8.230 nan 0.000 0.418 100 N N 2.089 120.615 118.700 -0.290 0.000 3.020 100 N HA 0.900 5.640 4.740 -0.000 0.000 0.248 100 N C -1.783 173.571 175.510 -0.259 0.000 1.480 100 N CA -0.267 52.574 53.050 -0.349 0.000 0.874 100 N CB 2.445 40.595 38.487 -0.562 0.000 1.433 100 N HN 0.727 nan 8.380 nan 0.000 0.530 101 A N 0.074 122.854 122.820 -0.066 0.000 2.540 101 A HA 0.720 5.040 4.320 -0.000 0.000 0.291 101 A C -2.273 175.318 177.584 0.013 0.000 1.083 101 A CA -0.563 51.382 52.037 -0.153 0.000 0.650 101 A CB 1.168 19.866 19.000 -0.503 0.000 1.292 101 A HN 0.726 nan 8.150 nan 0.000 0.435 102 Y N -2.650 117.546 120.300 -0.172 0.000 2.662 102 Y HA 0.782 5.332 4.550 -0.000 0.000 0.334 102 Y C -0.757 175.099 175.900 -0.074 0.000 1.185 102 Y CA -0.750 57.306 58.100 -0.073 0.000 1.074 102 Y CB 0.846 39.301 38.460 -0.009 0.000 1.330 102 Y HN 0.638 nan 8.280 nan 0.000 0.458 103 T N 2.401 117.083 114.554 0.215 0.000 2.848 103 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 103 T C -0.528 174.306 174.700 0.223 0.000 0.995 103 T CA -0.517 61.684 62.100 0.170 0.000 0.970 103 T CB 1.374 70.346 68.868 0.172 0.000 0.976 103 T HN 0.942 nan 8.240 nan 0.000 0.441 104 S N 2.399 118.233 115.700 0.223 0.000 2.823 104 S HA 0.528 4.998 4.470 -0.000 0.000 0.316 104 S C 0.884 175.584 174.600 0.166 0.000 1.116 104 S CA -1.151 57.171 58.200 0.204 0.000 0.911 104 S CB 1.499 64.864 63.200 0.275 0.000 1.276 104 S HN 0.589 nan 8.310 nan 0.000 0.565 105 R N 0.241 120.837 120.500 0.160 0.000 2.235 105 R HA 0.115 4.455 4.340 -0.000 0.000 0.213 105 R C 1.395 177.769 176.300 0.122 0.000 1.059 105 R CA 1.134 57.289 56.100 0.092 0.000 0.997 105 R CB -0.114 30.186 30.300 -0.001 0.000 0.884 105 R HN 0.708 nan 8.270 nan 0.000 0.462 106 E N -0.607 119.724 120.200 0.219 0.000 2.399 106 E HA 0.076 4.426 4.350 -0.000 0.000 0.205 106 E C -0.346 176.377 176.600 0.205 0.000 0.906 106 E CA 0.189 56.724 56.400 0.225 0.000 0.998 106 E CB 0.570 30.475 29.700 0.340 0.000 1.002 106 E HN 0.270 nan 8.360 nan 0.000 0.501 107 N N -0.748 118.077 118.700 0.209 0.000 2.455 107 N HA 0.327 5.067 4.740 -0.000 0.000 0.278 107 N C -1.396 174.183 175.510 0.115 0.000 1.291 107 N CA -0.549 52.601 53.050 0.166 0.000 0.780 107 N CB 2.201 40.788 38.487 0.167 0.000 1.520 107 N HN -0.252 nan 8.380 nan 0.000 0.486 108 T N 0.542 115.133 114.554 0.062 0.000 2.824 108 T HA 0.657 5.007 4.350 -0.000 0.000 0.282 108 T C -1.148 173.439 174.700 -0.188 0.000 0.993 108 T CA -0.491 61.610 62.100 0.002 0.000 0.967 108 T CB 1.089 70.080 68.868 0.204 0.000 0.960 108 T HN 0.179 nan 8.240 nan 0.000 0.441 109 V N 3.843 123.450 119.914 -0.513 0.000 2.733 109 V HA 0.543 4.663 4.120 -0.000 0.000 0.306 109 V C -1.636 174.076 176.094 -0.637 0.000 1.084 109 V CA -0.976 60.886 62.300 -0.729 0.000 0.905 109 V CB 1.689 32.671 31.823 -1.402 0.000 1.010 109 V HN 0.838 nan 8.190 nan 0.000 0.424 110 Y N 4.593 124.701 120.300 -0.321 0.000 2.425 110 Y HA 0.809 5.359 4.550 -0.000 0.000 0.344 110 Y C -0.363 175.529 175.900 -0.014 0.000 0.969 110 Y CA -0.969 57.054 58.100 -0.128 0.000 1.052 110 Y CB 2.101 40.491 38.460 -0.117 0.000 1.215 110 Y HN 0.752 nan 8.280 nan 0.000 0.451 111 Y N -0.126 120.194 120.300 0.034 0.000 2.625 111 Y HA 0.974 5.524 4.550 0.000 0.000 0.338 111 Y C -1.505 174.456 175.900 0.101 0.000 1.123 111 Y CA -1.958 56.170 58.100 0.048 0.000 1.046 111 Y CB 1.047 39.514 38.460 0.012 0.000 1.299 111 Y HN 0.713 nan 8.280 nan 0.000 0.464 112 A N 1.867 124.799 122.820 0.185 0.000 2.469 112 A HA 0.866 5.186 4.320 -0.000 0.000 0.299 112 A C -1.575 176.130 177.584 0.201 0.000 1.098 112 A CA -1.292 50.808 52.037 0.104 0.000 0.737 112 A CB 1.857 20.898 19.000 0.067 0.000 1.312 112 A HN 0.710 nan 8.150 nan 0.000 0.414 113 K N 0.839 121.347 120.400 0.181 0.000 2.376 113 K HA 0.697 5.017 4.320 -0.000 0.000 0.257 113 K C -0.872 175.817 176.600 0.148 0.000 0.939 113 K CA -0.306 56.097 56.287 0.193 0.000 0.809 113 K CB 2.072 34.710 32.500 0.230 0.000 1.121 113 K HN 0.937 nan 8.250 nan 0.000 0.425 114 S N 1.463 117.227 115.700 0.107 0.000 2.615 114 S HA 0.468 4.938 4.470 -0.000 0.000 0.269 114 S C -0.643 173.991 174.600 0.056 0.000 1.161 114 S CA -1.122 57.118 58.200 0.067 0.000 0.817 114 S CB 0.462 63.679 63.200 0.030 0.000 1.131 114 S HN 0.382 nan 8.310 nan 0.000 0.467 115 L N 2.207 123.452 121.223 0.038 0.000 2.483 115 L HA 0.161 4.501 4.340 -0.000 0.000 0.275 115 L C 2.433 179.324 176.870 0.035 0.000 1.220 115 L CA -0.342 54.519 54.840 0.035 0.000 0.833 115 L CB 0.255 42.328 42.059 0.024 0.000 1.102 115 L HN 0.989 nan 8.230 nan 0.000 0.490 116 Q N 0.893 120.719 119.800 0.043 0.000 2.197 116 Q HA -0.255 4.085 4.340 -0.000 0.000 0.207 116 Q C 1.176 177.198 176.000 0.036 0.000 0.984 116 Q CA 2.017 57.850 55.803 0.050 0.000 0.869 116 Q CB -0.195 28.583 28.738 0.068 0.000 0.906 116 Q HN 0.740 nan 8.270 nan 0.000 0.426 117 E N 1.742 121.958 120.200 0.027 0.000 2.118 117 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 117 E C 1.097 177.691 176.600 -0.009 0.000 0.992 117 E CA 1.498 57.908 56.400 0.016 0.000 0.804 117 E CB -0.044 29.665 29.700 0.015 0.000 0.741 117 E HN 0.507 nan 8.360 nan 0.000 0.458 118 D N 0.137 120.529 120.400 -0.015 0.000 2.328 118 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 118 D C 1.328 177.592 176.300 -0.060 0.000 1.066 118 D CA 0.073 54.049 54.000 -0.040 0.000 0.861 118 D CB 0.194 40.976 40.800 -0.030 0.000 0.912 118 D HN 0.122 nan 8.370 nan 0.000 0.521 119 I N 2.268 122.807 120.570 -0.051 0.000 2.163 119 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 119 I C -0.353 175.672 176.117 -0.153 0.000 1.085 119 I CA 1.329 62.595 61.300 -0.056 0.000 1.347 119 I CB -2.405 35.589 38.000 -0.009 0.000 1.044 119 I HN 0.044 nan 8.210 nan 0.000 0.408 120 P HA -0.209 nan 4.420 nan 0.000 0.215 120 P C 1.621 178.726 177.300 -0.325 0.000 1.153 120 P CA 1.655 64.420 63.100 -0.558 0.000 0.853 120 P CB -0.067 31.035 31.700 -0.997 0.000 0.788 121 K N 0.861 121.125 120.400 -0.227 0.000 2.152 121 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 121 K C 2.058 178.535 176.600 -0.205 0.000 1.048 121 K CA 1.700 57.869 56.287 -0.197 0.000 0.933 121 K CB -1.216 31.212 32.500 -0.120 0.000 0.721 121 K HN 0.025 nan 8.250 nan 0.000 0.447 122 A N -0.177 122.554 122.820 -0.148 0.000 1.897 122 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 122 A C 2.273 179.806 177.584 -0.086 0.000 1.181 122 A CA 1.493 53.476 52.037 -0.090 0.000 0.620 122 A CB -0.549 18.437 19.000 -0.023 0.000 0.821 122 A HN 0.111 nan 8.150 nan 0.000 0.443 123 V N 0.840 120.701 119.914 -0.087 0.000 2.358 123 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 123 V C 2.389 178.343 176.094 -0.233 0.000 1.047 123 V CA 2.345 64.663 62.300 0.029 0.000 1.035 123 V CB -0.767 31.167 31.823 0.185 0.000 0.658 123 V HN 0.728 nan 8.190 nan 0.000 0.452 124 D N 0.678 120.663 120.400 -0.692 0.000 2.087 124 D HA -0.204 4.436 4.640 -0.000 0.000 0.192 124 D C 1.961 177.943 176.300 -0.530 0.000 0.993 124 D CA 1.921 55.229 54.000 -1.153 0.000 0.828 124 D CB -0.300 39.755 40.800 -1.243 0.000 0.968 124 D HN 0.403 nan 8.370 nan 0.000 0.448 125 I N -0.010 120.353 120.570 -0.346 0.000 2.264 125 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 125 I C 2.520 178.518 176.117 -0.198 0.000 1.111 125 I CA 0.561 61.726 61.300 -0.226 0.000 1.382 125 I CB -0.183 37.724 38.000 -0.155 0.000 1.060 125 I HN 0.151 nan 8.210 nan 0.000 0.418 126 L N 0.239 121.378 121.223 -0.140 0.000 2.017 126 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 126 L C 2.877 179.654 176.870 -0.155 0.000 1.073 126 L CA 1.839 56.639 54.840 -0.067 0.000 0.745 126 L CB -0.663 41.476 42.059 0.133 0.000 0.894 126 L HN 0.371 nan 8.230 nan 0.000 0.432 127 S N -0.936 114.554 115.700 -0.349 0.000 2.368 127 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 127 S C 1.687 176.077 174.600 -0.350 0.000 1.030 127 S CA 1.524 59.285 58.200 -0.731 0.000 0.999 127 S CB -0.509 61.960 63.200 -1.218 0.000 0.844 127 S HN 0.404 nan 8.310 nan 0.000 0.459 128 D N 1.549 121.776 120.400 -0.289 0.000 2.104 128 D HA -0.031 4.609 4.640 -0.000 0.000 0.194 128 D C 1.731 177.914 176.300 -0.194 0.000 0.994 128 D CA 1.413 55.288 54.000 -0.207 0.000 0.830 128 D CB -0.426 40.257 40.800 -0.195 0.000 0.959 128 D HN 0.526 nan 8.370 nan 0.000 0.452 129 I N -0.245 120.176 120.570 -0.247 0.000 2.439 129 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 129 I C 2.128 178.029 176.117 -0.361 0.000 1.139 129 I CA 0.320 61.434 61.300 -0.310 0.000 1.438 129 I CB 0.045 37.800 38.000 -0.407 0.000 1.085 129 I HN 0.115 nan 8.210 nan 0.000 0.427 130 L N 0.103 121.105 121.223 -0.369 0.000 2.131 130 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 130 L C 2.328 179.203 176.870 0.008 0.000 1.087 130 L CA 2.084 56.733 54.840 -0.319 0.000 0.767 130 L CB -0.382 41.489 42.059 -0.314 0.000 0.917 130 L HN 0.339 nan 8.230 nan 0.000 0.441 131 T N -5.481 109.077 114.554 0.008 0.000 2.971 131 T HA 0.151 4.501 4.350 -0.000 0.000 0.252 131 T C 1.125 175.861 174.700 0.060 0.000 1.022 131 T CA -0.126 62.045 62.100 0.120 0.000 0.980 131 T CB -0.023 68.982 68.868 0.229 0.000 1.044 131 T HN 0.192 nan 8.240 nan 0.000 0.501 132 K N 2.738 123.128 120.400 -0.017 0.000 2.896 132 K HA 0.300 4.620 4.320 -0.000 0.000 0.210 132 K C -0.305 176.264 176.600 -0.051 0.000 1.116 132 K CA -0.291 55.974 56.287 -0.038 0.000 1.050 132 K CB 0.907 33.363 32.500 -0.073 0.000 0.812 132 K HN 0.399 nan 8.250 nan 0.000 0.462 133 S N -0.304 115.369 115.700 -0.045 0.000 2.528 133 S HA 0.076 4.546 4.470 -0.000 0.000 0.277 133 S C 1.611 176.196 174.600 -0.026 0.000 1.297 133 S CA -0.828 57.344 58.200 -0.046 0.000 1.052 133 S CB 1.628 64.801 63.200 -0.046 0.000 0.917 133 S HN -0.050 nan 8.310 nan 0.000 0.492 134 V N 3.357 123.258 119.914 -0.022 0.000 2.282 134 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 134 V C 1.374 177.464 176.094 -0.008 0.000 1.057 134 V CA 1.594 63.886 62.300 -0.014 0.000 1.032 134 V CB -1.377 30.441 31.823 -0.008 0.000 0.645 134 V HN 0.960 nan 8.190 nan 0.000 0.447 135 L N 0.457 121.682 121.223 0.003 0.000 3.601 135 L HA -0.201 4.139 4.340 -0.000 0.000 0.469 135 L C 0.180 177.050 176.870 0.001 0.000 1.294 135 L CA 0.069 54.913 54.840 0.005 0.000 0.829 135 L CB -1.815 40.236 42.059 -0.013 0.000 1.628 135 L HN 0.492 nan 8.230 nan 0.000 0.868 136 D N 0.228 120.635 120.400 0.012 0.000 2.488 136 D HA 0.016 4.656 4.640 -0.000 0.000 0.238 136 D C 1.311 177.616 176.300 0.010 0.000 1.138 136 D CA 0.585 54.591 54.000 0.009 0.000 0.873 136 D CB 0.567 41.377 40.800 0.016 0.000 1.183 136 D HN 0.294 nan 8.370 nan 0.000 0.458 137 N N 1.436 120.136 118.700 0.000 0.000 2.166 137 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 137 N C 1.536 177.053 175.510 0.011 0.000 1.019 137 N CA 0.697 53.745 53.050 -0.003 0.000 0.856 137 N CB 0.024 38.506 38.487 -0.009 0.000 0.993 137 N HN 0.337 nan 8.380 nan 0.000 0.426 138 S N 0.696 116.406 115.700 0.016 0.000 2.368 138 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 138 S C 2.043 176.666 174.600 0.040 0.000 1.030 138 S CA 1.167 59.381 58.200 0.024 0.000 0.999 138 S CB -0.230 62.981 63.200 0.019 0.000 0.844 138 S HN 0.386 nan 8.310 nan 0.000 0.459 139 A N 1.722 124.570 122.820 0.046 0.000 1.883 139 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 139 A C 2.131 179.781 177.584 0.110 0.000 1.186 139 A CA 1.653 53.733 52.037 0.071 0.000 0.624 139 A CB -0.953 18.090 19.000 0.071 0.000 0.822 139 A HN 0.634 nan 8.150 nan 0.000 0.444 140 I N -0.246 120.383 120.570 0.098 0.000 2.248 140 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 140 I C 2.383 178.599 176.117 0.164 0.000 1.107 140 I CA 1.423 62.799 61.300 0.127 0.000 1.373 140 I CB -0.349 37.638 38.000 -0.022 0.000 1.055 140 I HN 0.348 nan 8.210 nan 0.000 0.418 141 E N 0.602 120.859 120.200 0.095 0.000 2.076 141 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 141 E C 2.258 178.912 176.600 0.090 0.000 0.979 141 E CA 0.785 57.237 56.400 0.087 0.000 0.807 141 E CB -0.246 29.482 29.700 0.047 0.000 0.761 141 E HN 0.459 nan 8.360 nan 0.000 0.454 142 R N 0.703 121.247 120.500 0.074 0.000 2.120 142 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 142 R C 2.069 178.397 176.300 0.047 0.000 1.123 142 R CA 1.095 57.227 56.100 0.053 0.000 0.975 142 R CB -0.017 30.310 30.300 0.045 0.000 0.866 142 R HN 0.020 nan 8.270 nan 0.000 0.446 143 E N 0.534 120.777 120.200 0.072 0.000 2.285 143 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 143 E C 1.612 178.138 176.600 -0.125 0.000 0.997 143 E CA 0.791 57.182 56.400 -0.015 0.000 0.845 143 E CB 0.158 29.866 29.700 0.014 0.000 0.782 143 E HN 0.194 nan 8.360 nan 0.000 0.491 144 R N 0.548 121.077 120.500 0.048 0.000 2.117 144 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 144 R C 1.913 178.187 176.300 -0.043 0.000 1.143 144 R CA 1.517 57.645 56.100 0.046 0.000 0.968 144 R CB -0.408 29.982 30.300 0.150 0.000 0.863 144 R HN 0.248 nan 8.270 nan 0.000 0.444 145 D N 0.550 120.935 120.400 -0.024 0.000 2.123 145 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 145 D C 1.918 178.190 176.300 -0.048 0.000 0.976 145 D CA 0.905 54.891 54.000 -0.024 0.000 0.831 145 D CB 0.254 41.052 40.800 -0.004 0.000 0.974 145 D HN 0.004 nan 8.370 nan 0.000 0.469 146 V N 1.835 121.709 119.914 -0.067 0.000 2.287 146 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 146 V C 2.612 178.650 176.094 -0.092 0.000 1.053 146 V CA 1.002 63.268 62.300 -0.057 0.000 1.027 146 V CB -0.390 31.416 31.823 -0.027 0.000 0.646 146 V HN 0.269 nan 8.190 nan 0.000 0.447 147 I N -0.199 120.238 120.570 -0.222 0.000 2.286 147 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 147 I C 2.414 178.470 176.117 -0.101 0.000 1.115 147 I CA 1.537 62.697 61.300 -0.234 0.000 1.392 147 I CB -1.074 36.667 38.000 -0.431 0.000 1.065 147 I HN 0.243 nan 8.210 nan 0.000 0.418 148 I N 0.672 121.197 120.570 -0.076 0.000 2.202 148 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 148 I C 2.704 178.806 176.117 -0.026 0.000 1.091 148 I CA 1.201 62.480 61.300 -0.036 0.000 1.368 148 I CB -1.326 36.663 38.000 -0.019 0.000 1.058 148 I HN 0.186 nan 8.210 nan 0.000 0.410 149 R N 0.973 121.458 120.500 -0.025 0.000 2.094 149 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 149 R C 2.315 178.607 176.300 -0.014 0.000 1.137 149 R CA 1.932 58.023 56.100 -0.015 0.000 0.943 149 R CB -0.367 29.926 30.300 -0.011 0.000 0.850 149 R HN 0.391 nan 8.270 nan 0.000 0.433 150 E N -0.821 119.372 120.200 -0.012 0.000 2.070 150 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 150 E C 1.849 178.434 176.600 -0.025 0.000 1.004 150 E CA 1.649 58.048 56.400 -0.003 0.000 0.805 150 E CB -0.187 29.534 29.700 0.036 0.000 0.744 150 E HN 0.290 nan 8.360 nan 0.000 0.451 151 S N -0.132 115.549 115.700 -0.032 0.000 2.382 151 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 151 S C 1.699 176.285 174.600 -0.024 0.000 1.027 151 S CA 1.489 59.667 58.200 -0.036 0.000 0.991 151 S CB -0.188 62.994 63.200 -0.031 0.000 0.823 151 S HN 0.289 nan 8.310 nan 0.000 0.469 152 E N 0.200 120.390 120.200 -0.017 0.000 2.110 152 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 152 E C 2.209 178.797 176.600 -0.020 0.000 0.988 152 E CA 1.170 57.564 56.400 -0.011 0.000 0.804 152 E CB -0.029 29.667 29.700 -0.007 0.000 0.745 152 E HN 0.467 nan 8.360 nan 0.000 0.458 153 E N 0.284 120.468 120.200 -0.028 0.000 2.106 153 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 153 E C 2.268 178.834 176.600 -0.056 0.000 0.984 153 E CA 0.572 56.948 56.400 -0.040 0.000 0.806 153 E CB -0.209 29.470 29.700 -0.036 0.000 0.750 153 E HN 0.126 nan 8.360 nan 0.000 0.458 154 V N 2.269 122.153 119.914 -0.049 0.000 2.490 154 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 154 V C 1.622 177.688 176.094 -0.047 0.000 1.061 154 V CA 1.669 63.937 62.300 -0.055 0.000 1.064 154 V CB -0.423 31.368 31.823 -0.054 0.000 0.670 154 V HN 0.140 nan 8.190 nan 0.000 0.461 155 D N 0.136 120.521 120.400 -0.025 0.000 2.351 155 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 155 D C 1.879 178.167 176.300 -0.019 0.000 0.968 155 D CA 0.944 54.949 54.000 0.010 0.000 0.899 155 D CB -0.041 40.776 40.800 0.030 0.000 0.907 155 D HN 0.476 nan 8.370 nan 0.000 0.514 156 K N -0.391 119.943 120.400 -0.110 0.000 2.374 156 K HA 0.210 4.530 4.320 -0.000 0.000 0.196 156 K C 0.518 176.817 176.600 -0.501 0.000 1.023 156 K CA 0.006 56.138 56.287 -0.258 0.000 1.103 156 K CB 0.522 32.920 32.500 -0.169 0.000 0.848 156 K HN 0.038 nan 8.250 nan 0.000 0.528 157 M N 1.425 120.829 119.600 -0.326 0.000 2.385 157 M HA 0.190 4.670 4.480 -0.000 0.000 0.346 157 M C -0.358 175.823 176.300 -0.197 0.000 1.180 157 M CA -0.532 54.595 55.300 -0.288 0.000 1.154 157 M CB 0.494 33.011 32.600 -0.137 0.000 1.251 157 M HN -0.010 nan 8.290 nan 0.000 0.430 158 Y N 0.981 121.198 120.300 -0.138 0.000 2.193 158 Y HA -0.290 4.260 4.550 -0.000 0.000 0.285 158 Y C 2.227 178.038 175.900 -0.148 0.000 1.166 158 Y CA 1.685 59.627 58.100 -0.263 0.000 1.181 158 Y CB -0.858 37.126 38.460 -0.793 0.000 0.976 158 Y HN 0.648 nan 8.280 nan 0.000 0.520 159 D N -0.146 120.301 120.400 0.078 0.000 2.117 159 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 159 D C 1.564 177.942 176.300 0.130 0.000 0.982 159 D CA 1.369 55.394 54.000 0.042 0.000 0.828 159 D CB -0.555 40.214 40.800 -0.051 0.000 0.967 159 D HN 0.282 nan 8.370 nan 0.000 0.464 160 E N 0.627 120.872 120.200 0.076 0.000 2.077 160 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 160 E C 2.563 179.230 176.600 0.113 0.000 0.989 160 E CA 0.631 57.081 56.400 0.082 0.000 0.800 160 E CB -0.339 29.362 29.700 0.001 0.000 0.746 160 E HN 0.270 nan 8.360 nan 0.000 0.452 161 V N 1.243 121.218 119.914 0.102 0.000 2.295 161 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 161 V C 2.642 178.848 176.094 0.187 0.000 1.049 161 V CA 1.418 63.808 62.300 0.149 0.000 1.024 161 V CB -0.657 31.275 31.823 0.181 0.000 0.648 161 V HN 0.053 nan 8.190 nan 0.000 0.447 162 V N -0.685 119.284 119.914 0.091 0.000 2.332 162 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 162 V C 2.210 178.238 176.094 -0.110 0.000 1.055 162 V CA 2.253 64.532 62.300 -0.036 0.000 1.038 162 V CB -0.766 30.968 31.823 -0.148 0.000 0.651 162 V HN 0.454 nan 8.190 nan 0.000 0.450 163 F N 0.114 120.078 119.950 0.023 0.000 2.259 163 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 163 F C 2.276 178.172 175.800 0.161 0.000 1.088 163 F CA 1.325 59.347 58.000 0.038 0.000 1.358 163 F CB -0.463 38.495 39.000 -0.069 0.000 1.040 163 F HN 0.198 nan 8.300 nan 0.000 0.505 164 D N -1.154 119.384 120.400 0.231 0.000 2.144 164 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 164 D C 2.235 178.591 176.300 0.092 0.000 0.978 164 D CA 1.188 55.257 54.000 0.116 0.000 0.833 164 D CB -0.381 40.412 40.800 -0.013 0.000 0.961 164 D HN 0.340 nan 8.370 nan 0.000 0.470 165 H N 0.109 119.225 119.070 0.076 0.000 2.389 165 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 165 H C 2.223 177.564 175.328 0.023 0.000 1.081 165 H CA 0.563 56.632 56.048 0.035 0.000 1.345 165 H CB -0.098 29.660 29.762 -0.007 0.000 1.393 165 H HN 0.104 nan 8.280 nan 0.000 0.520 166 L N 0.593 121.900 121.223 0.140 0.000 2.083 166 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 166 L C 2.103 178.977 176.870 0.007 0.000 1.083 166 L CA 1.670 56.525 54.840 0.026 0.000 0.752 166 L CB -0.485 41.562 42.059 -0.019 0.000 0.899 166 L HN 0.157 nan 8.230 nan 0.000 0.433 167 H N -0.910 118.216 119.070 0.093 0.000 2.389 167 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 167 H C 2.207 177.596 175.328 0.101 0.000 1.081 167 H CA 1.694 57.834 56.048 0.152 0.000 1.345 167 H CB 0.172 30.053 29.762 0.198 0.000 1.393 167 H HN 0.469 nan 8.280 nan 0.000 0.520 168 E N 0.413 120.711 120.200 0.163 0.000 2.051 168 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 168 E C 2.070 178.692 176.600 0.037 0.000 0.991 168 E CA 1.577 58.029 56.400 0.085 0.000 0.799 168 E CB -0.015 29.703 29.700 0.030 0.000 0.748 168 E HN 0.656 nan 8.360 nan 0.000 0.449 169 I N -2.047 118.521 120.570 -0.005 0.000 2.716 169 I HA -0.050 4.120 4.170 -0.000 0.000 0.259 169 I C 1.956 177.960 176.117 -0.189 0.000 1.172 169 I CA 0.971 62.230 61.300 -0.068 0.000 1.478 169 I CB -0.243 37.715 38.000 -0.070 0.000 1.104 169 I HN -0.090 nan 8.210 nan 0.000 0.439 170 T N 0.422 114.789 114.554 -0.312 0.000 2.812 170 T HA -0.057 4.293 4.350 -0.000 0.000 0.264 170 T C 0.406 174.736 174.700 -0.617 0.000 1.042 170 T CA 1.415 63.112 62.100 -0.671 0.000 1.140 170 T CB -0.297 68.031 68.868 -0.900 0.000 0.870 170 T HN 0.348 nan 8.240 nan 0.000 0.445 171 Y N 1.679 121.901 120.300 -0.130 0.000 2.696 171 Y HA 0.504 5.054 4.550 -0.000 0.000 0.378 171 Y C 0.286 176.165 175.900 -0.034 0.000 1.012 171 Y CA -1.744 56.320 58.100 -0.060 0.000 1.396 171 Y CB -0.215 38.238 38.460 -0.012 0.000 1.415 171 Y HN -0.143 nan 8.280 nan 0.000 0.569 172 K N 1.930 122.356 120.400 0.045 0.000 2.504 172 K HA -0.085 4.235 4.320 -0.000 0.000 0.278 172 K C 0.303 176.937 176.600 0.057 0.000 1.025 172 K CA 0.818 57.126 56.287 0.035 0.000 1.093 172 K CB -0.110 32.390 32.500 -0.001 0.000 0.873 172 K HN 0.457 nan 8.250 nan 0.000 0.483 173 D N 2.654 123.084 120.400 0.050 0.000 2.751 173 D HA -0.231 4.409 4.640 -0.000 0.000 0.233 173 D C -0.613 175.716 176.300 0.048 0.000 1.149 173 D CA 1.050 55.076 54.000 0.043 0.000 0.682 173 D CB -0.713 40.108 40.800 0.034 0.000 1.068 173 D HN 0.656 nan 8.370 nan 0.000 0.429 174 Q N -1.536 118.300 119.800 0.061 0.000 2.416 174 Q HA 0.358 4.698 4.340 -0.000 0.000 0.279 174 Q C -1.842 174.166 176.000 0.014 0.000 1.101 174 Q CA -1.834 53.994 55.803 0.042 0.000 0.830 174 Q CB 1.922 30.699 28.738 0.065 0.000 1.402 174 Q HN -0.191 nan 8.270 nan 0.000 0.445 175 P HA -0.179 nan 4.420 nan 0.000 0.215 175 P C 1.064 178.320 177.300 -0.073 0.000 1.157 175 P CA 0.927 64.009 63.100 -0.030 0.000 0.868 175 P CB 0.226 31.907 31.700 -0.031 0.000 0.788 176 L N -0.641 120.476 121.223 -0.178 0.000 2.353 176 L HA -0.008 4.332 4.340 -0.000 0.000 0.220 176 L C 2.115 178.942 176.870 -0.072 0.000 1.133 176 L CA 1.700 56.350 54.840 -0.316 0.000 0.798 176 L CB -1.656 39.928 42.059 -0.793 0.000 0.922 176 L HN -0.013 nan 8.230 nan 0.000 0.445 177 G N -1.357 107.478 108.800 0.058 0.000 2.813 177 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 177 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 177 G C 0.937 175.899 174.900 0.103 0.000 1.150 177 G CA -0.256 44.958 45.100 0.190 0.000 0.785 177 G HN 0.259 nan 8.290 nan 0.000 0.535 178 R N 0.430 120.951 120.500 0.035 0.000 2.532 178 R HA 0.448 4.788 4.340 -0.000 0.000 0.272 178 R C 0.717 177.003 176.300 -0.023 0.000 1.032 178 R CA -0.180 55.925 56.100 0.008 0.000 1.089 178 R CB 0.734 31.039 30.300 0.008 0.000 1.098 178 R HN 0.202 nan 8.270 nan 0.000 0.526 179 T N -1.981 112.552 114.554 -0.035 0.000 2.770 179 T HA 0.235 4.585 4.350 -0.000 0.000 0.281 179 T C 1.390 176.060 174.700 -0.049 0.000 0.981 179 T CA -0.542 61.521 62.100 -0.061 0.000 0.955 179 T CB 0.554 69.382 68.868 -0.067 0.000 1.060 179 T HN 0.486 nan 8.240 nan 0.000 0.531 180 I N -0.158 120.371 120.570 -0.069 0.000 2.867 180 I HA 0.058 4.228 4.170 -0.000 0.000 0.265 180 I C 2.004 178.076 176.117 -0.075 0.000 1.162 180 I CA 0.296 61.563 61.300 -0.055 0.000 1.471 180 I CB -0.172 37.784 38.000 -0.072 0.000 1.123 180 I HN 0.422 nan 8.210 nan 0.000 0.440 181 L N 0.630 121.771 121.223 -0.135 0.000 2.109 181 L HA 0.191 4.531 4.340 -0.000 0.000 0.207 181 L C 1.175 178.043 176.870 -0.005 0.000 1.086 181 L CA 1.242 56.005 54.840 -0.129 0.000 0.760 181 L CB -1.094 40.871 42.059 -0.157 0.000 0.910 181 L HN 0.370 nan 8.230 nan 0.000 0.437 182 G N -1.387 107.405 108.800 -0.013 0.000 2.756 182 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.678 182 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.678 182 G C -2.642 172.262 174.900 0.006 0.000 1.349 182 G CA -0.661 44.446 45.100 0.011 0.000 0.847 182 G HN 0.095 nan 8.290 nan 0.000 0.548 183 P HA 0.408 nan 4.420 nan 0.000 0.274 183 P C 1.428 178.741 177.300 0.022 0.000 1.237 183 P CA -0.810 62.296 63.100 0.010 0.000 0.793 183 P CB 0.492 32.199 31.700 0.011 0.000 0.977 184 I N 0.931 121.511 120.570 0.018 0.000 2.264 184 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 184 I C 2.136 178.273 176.117 0.033 0.000 1.111 184 I CA 1.707 63.021 61.300 0.024 0.000 1.382 184 I CB -1.073 36.938 38.000 0.018 0.000 1.060 184 I HN 0.592 nan 8.210 nan 0.000 0.418 185 K N 1.333 121.749 120.400 0.027 0.000 2.020 185 K HA -0.258 4.061 4.320 -0.000 0.000 0.212 185 K C 1.816 178.436 176.600 0.033 0.000 1.050 185 K CA 2.320 58.623 56.287 0.027 0.000 0.929 185 K CB -0.066 32.447 32.500 0.022 0.000 0.714 185 K HN 0.228 nan 8.250 nan 0.000 0.443 186 N N 0.655 119.378 118.700 0.038 0.000 2.270 186 N HA -0.049 4.691 4.740 -0.000 0.000 0.181 186 N C 1.711 177.269 175.510 0.079 0.000 1.016 186 N CA 1.068 54.145 53.050 0.045 0.000 0.870 186 N CB -0.084 38.429 38.487 0.044 0.000 0.979 186 N HN 0.260 nan 8.380 nan 0.000 0.431 187 I N 0.506 121.139 120.570 0.104 0.000 2.454 187 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 187 I C 1.547 177.774 176.117 0.184 0.000 1.156 187 I CA 1.164 62.573 61.300 0.181 0.000 1.433 187 I CB -0.043 38.019 38.000 0.102 0.000 1.082 187 I HN 0.126 nan 8.210 nan 0.000 0.432 188 K N -0.048 120.410 120.400 0.097 0.000 2.356 188 K HA 0.043 4.363 4.320 -0.000 0.000 0.195 188 K C 1.785 178.410 176.600 0.042 0.000 1.037 188 K CA 0.979 57.309 56.287 0.072 0.000 1.014 188 K CB 0.234 32.762 32.500 0.046 0.000 0.815 188 K HN 0.295 nan 8.250 nan 0.000 0.507 189 S N -0.127 115.588 115.700 0.026 0.000 2.559 189 S HA 0.191 4.661 4.470 -0.000 0.000 0.226 189 S C 0.615 175.187 174.600 -0.046 0.000 1.000 189 S CA -0.527 57.669 58.200 -0.006 0.000 0.948 189 S CB 0.175 63.375 63.200 -0.001 0.000 0.870 189 S HN -0.072 nan 8.310 nan 0.000 0.497 190 I N 4.654 125.177 120.570 -0.078 0.000 2.683 190 I HA 0.168 4.338 4.170 -0.000 0.000 0.286 190 I C 0.975 176.952 176.117 -0.233 0.000 1.175 190 I CA 0.645 61.837 61.300 -0.180 0.000 1.429 190 I CB 0.024 37.830 38.000 -0.323 0.000 1.371 190 I HN 0.418 nan 8.210 nan 0.000 0.569 191 T N 3.194 117.639 114.554 -0.183 0.000 2.942 191 T HA 0.403 4.753 4.350 -0.000 0.000 0.289 191 T C 1.062 175.663 174.700 -0.166 0.000 1.044 191 T CA -0.883 61.125 62.100 -0.155 0.000 1.023 191 T CB 1.981 70.795 68.868 -0.089 0.000 1.123 191 T HN 0.630 nan 8.240 nan 0.000 0.512 192 R N 0.251 120.670 120.500 -0.134 0.000 2.139 192 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 192 R C 1.873 178.122 176.300 -0.085 0.000 1.145 192 R CA 2.201 58.235 56.100 -0.111 0.000 0.976 192 R CB -1.025 29.231 30.300 -0.073 0.000 0.866 192 R HN 0.830 nan 8.270 nan 0.000 0.449 193 T N 0.840 115.351 114.554 -0.072 0.000 2.737 193 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 193 T C 1.120 175.790 174.700 -0.050 0.000 1.038 193 T CA 1.419 63.488 62.100 -0.051 0.000 1.144 193 T CB -0.332 68.511 68.868 -0.041 0.000 0.866 193 T HN 0.342 nan 8.240 nan 0.000 0.434 194 D N 1.398 121.760 120.400 -0.063 0.000 2.116 194 D HA -0.078 4.562 4.640 -0.000 0.000 0.193 194 D C 2.188 178.467 176.300 -0.036 0.000 0.998 194 D CA 0.933 54.904 54.000 -0.048 0.000 0.836 194 D CB -0.381 40.371 40.800 -0.079 0.000 0.951 194 D HN 0.332 nan 8.370 nan 0.000 0.449 195 L N 0.719 121.890 121.223 -0.085 0.000 1.976 195 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 195 L C 2.492 179.344 176.870 -0.031 0.000 1.071 195 L CA 1.282 56.078 54.840 -0.073 0.000 0.746 195 L CB -0.490 41.501 42.059 -0.114 0.000 0.890 195 L HN -0.049 nan 8.230 nan 0.000 0.432 196 K N -0.193 120.179 120.400 -0.046 0.000 2.152 196 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 196 K C 1.706 178.278 176.600 -0.046 0.000 1.048 196 K CA 1.242 57.500 56.287 -0.049 0.000 0.933 196 K CB -0.200 32.274 32.500 -0.042 0.000 0.721 196 K HN 0.360 nan 8.250 nan 0.000 0.447 197 D N 0.105 120.492 120.400 -0.022 0.000 2.097 197 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 197 D C 1.788 178.075 176.300 -0.022 0.000 0.984 197 D CA 1.021 55.009 54.000 -0.019 0.000 0.826 197 D CB -0.153 40.645 40.800 -0.003 0.000 0.973 197 D HN 0.172 nan 8.370 nan 0.000 0.460 198 Y N 1.751 121.985 120.300 -0.110 0.000 2.128 198 Y HA -0.196 4.354 4.550 0.000 0.000 0.284 198 Y C 2.294 178.049 175.900 -0.241 0.000 1.154 198 Y CA 1.344 59.373 58.100 -0.117 0.000 1.149 198 Y CB -0.353 38.056 38.460 -0.085 0.000 0.976 198 Y HN -0.096 nan 8.280 nan 0.000 0.505 199 I N -0.785 119.682 120.570 -0.172 0.000 2.127 199 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 199 I C 2.247 178.131 176.117 -0.388 0.000 1.075 199 I CA 1.988 62.929 61.300 -0.597 0.000 1.334 199 I CB -0.799 36.943 38.000 -0.430 0.000 1.040 199 I HN 0.222 nan 8.210 nan 0.000 0.405 200 T N 0.469 114.909 114.554 -0.190 0.000 2.720 200 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 200 T C 1.927 176.571 174.700 -0.094 0.000 1.037 200 T CA 1.653 63.692 62.100 -0.101 0.000 1.144 200 T CB -0.204 68.627 68.868 -0.062 0.000 0.864 200 T HN 0.330 nan 8.240 nan 0.000 0.444 201 K N 0.709 121.028 120.400 -0.136 0.000 2.057 201 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 201 K C 1.838 178.359 176.600 -0.132 0.000 1.050 201 K CA 1.205 57.415 56.287 -0.128 0.000 0.935 201 K CB 0.048 32.458 32.500 -0.150 0.000 0.715 201 K HN 0.225 nan 8.250 nan 0.000 0.439 202 N N -0.620 117.958 118.700 -0.204 0.000 2.414 202 N HA -0.044 4.696 4.740 -0.000 0.000 0.177 202 N C -0.253 175.376 175.510 0.197 0.000 1.062 202 N CA 0.305 53.306 53.050 -0.082 0.000 0.890 202 N CB 0.282 38.599 38.487 -0.284 0.000 1.070 202 N HN 0.098 nan 8.380 nan 0.000 0.454 203 Y N 2.652 122.916 120.300 -0.060 0.000 2.530 203 Y HA 0.186 4.736 4.550 -0.000 0.000 0.340 203 Y C 0.308 176.199 175.900 -0.014 0.000 1.247 203 Y CA -0.375 57.720 58.100 -0.008 0.000 1.727 203 Y CB -0.642 37.830 38.460 0.020 0.000 1.613 203 Y HN -0.326 nan 8.280 nan 0.000 0.464 204 K N 0.059 120.529 120.400 0.116 0.000 2.270 204 K HA 0.400 4.720 4.320 -0.000 0.000 0.255 204 K C 1.217 177.831 176.600 0.023 0.000 0.936 204 K CA -0.350 55.969 56.287 0.053 0.000 0.809 204 K CB 2.044 34.564 32.500 0.034 0.000 1.131 204 K HN 0.553 nan 8.250 nan 0.000 0.427 205 G N 2.179 110.985 108.800 0.010 0.000 2.503 205 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.221 205 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.221 205 G C 0.810 175.702 174.900 -0.013 0.000 1.131 205 G CA 1.215 46.311 45.100 -0.006 0.000 0.756 205 G HN 0.783 nan 8.290 nan 0.000 0.572 206 D N -0.155 120.243 120.400 -0.003 0.000 2.378 206 D HA -0.034 4.606 4.640 -0.000 0.000 0.227 206 D C 1.832 178.130 176.300 -0.002 0.000 1.012 206 D CA 0.275 54.273 54.000 -0.004 0.000 0.905 206 D CB -0.142 40.659 40.800 0.002 0.000 0.895 206 D HN 0.320 nan 8.370 nan 0.000 0.532 207 R N -0.251 120.250 120.500 0.000 0.000 2.577 207 R HA 0.314 4.654 4.340 -0.000 0.000 0.344 207 R C 0.141 176.440 176.300 -0.002 0.000 1.037 207 R CA -0.153 55.951 56.100 0.007 0.000 1.102 207 R CB 0.450 30.764 30.300 0.023 0.000 1.313 207 R HN 0.284 nan 8.270 nan 0.000 0.561 208 M N -1.920 117.664 119.600 -0.025 0.000 2.550 208 M HA 0.578 5.058 4.480 -0.000 0.000 0.292 208 M C -1.079 175.185 176.300 -0.060 0.000 1.221 208 M CA -1.245 54.029 55.300 -0.043 0.000 0.873 208 M CB 2.449 34.992 32.600 -0.094 0.000 1.727 208 M HN -0.348 nan 8.290 nan 0.000 0.459 209 V N 2.228 122.119 119.914 -0.039 0.000 2.588 209 V HA 0.558 4.678 4.120 -0.000 0.000 0.304 209 V C -1.218 174.849 176.094 -0.044 0.000 1.042 209 V CA -0.675 61.587 62.300 -0.064 0.000 0.877 209 V CB 2.001 33.755 31.823 -0.115 0.000 0.996 209 V HN 0.796 nan 8.190 nan 0.000 0.425 210 L N 4.505 125.666 121.223 -0.103 0.000 2.276 210 L HA 0.879 5.219 4.340 -0.000 0.000 0.286 210 L C 0.174 177.041 176.870 -0.005 0.000 1.024 210 L CA 0.026 54.813 54.840 -0.088 0.000 0.826 210 L CB 0.843 42.781 42.059 -0.201 0.000 1.211 210 L HN 0.828 nan 8.230 nan 0.000 0.422 211 A N 3.486 126.346 122.820 0.067 0.000 2.337 211 A HA 0.941 5.261 4.320 -0.000 0.000 0.329 211 A C -0.161 177.483 177.584 0.100 0.000 1.146 211 A CA 0.032 52.083 52.037 0.023 0.000 0.800 211 A CB 1.314 20.223 19.000 -0.151 0.000 1.220 211 A HN 0.858 nan 8.150 nan 0.000 0.472 212 G N -0.554 108.296 108.800 0.083 0.000 2.659 212 G HA2 0.841 4.801 3.960 -0.000 0.000 0.296 212 G HA3 0.841 4.801 3.960 -0.000 0.000 0.296 212 G C -0.880 174.071 174.900 0.086 0.000 1.369 212 G CA 0.057 45.220 45.100 0.105 0.000 0.937 212 G HN 1.815 nan 8.290 nan 0.000 0.485 213 A N -0.561 122.308 122.820 0.081 0.000 2.594 213 A HA 1.095 5.415 4.320 -0.000 0.000 0.295 213 A C 0.345 177.954 177.584 0.042 0.000 1.071 213 A CA 0.360 52.428 52.037 0.053 0.000 0.685 213 A CB 1.354 20.368 19.000 0.024 0.000 1.285 213 A HN 2.728 nan 8.150 nan 0.000 0.405 214 G N -0.345 108.452 108.800 -0.005 0.000 2.443 214 G HA2 0.441 4.401 3.960 -0.000 0.000 0.209 214 G HA3 0.441 4.401 3.960 -0.000 0.000 0.209 214 G C 0.445 175.322 174.900 -0.038 0.000 1.176 214 G CA 0.106 45.179 45.100 -0.045 0.000 1.074 214 G HN 2.336 nan 8.290 nan 0.000 0.577 215 A N 0.021 122.853 122.820 0.020 0.000 2.981 215 A HA 0.589 4.909 4.320 -0.000 0.000 0.280 215 A C 0.116 177.818 177.584 0.197 0.000 1.743 215 A CA 0.628 52.746 52.037 0.135 0.000 1.430 215 A CB -0.624 18.442 19.000 0.110 0.000 1.085 215 A HN 1.744 nan 8.150 nan 0.000 0.597 216 V N 2.263 122.347 119.914 0.284 0.000 2.638 216 V HA 0.265 4.385 4.120 -0.000 0.000 0.306 216 V C -0.636 175.602 176.094 0.239 0.000 1.052 216 V CA -0.922 61.515 62.300 0.228 0.000 0.885 216 V CB 2.079 34.014 31.823 0.186 0.000 0.999 216 V HN 0.730 nan 8.190 nan 0.000 0.424 217 D N 2.185 122.687 120.400 0.169 0.000 2.347 217 D HA 0.163 4.803 4.640 -0.000 0.000 0.235 217 D C 0.924 177.310 176.300 0.143 0.000 1.149 217 D CA -0.040 54.033 54.000 0.122 0.000 0.850 217 D CB 1.110 41.965 40.800 0.092 0.000 1.061 217 D HN 0.708 nan 8.370 nan 0.000 0.487 218 H N 3.568 122.671 119.070 0.056 0.000 2.319 218 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 218 H C 1.252 176.606 175.328 0.045 0.000 1.097 218 H CA 2.374 58.453 56.048 0.052 0.000 1.285 218 H CB 0.509 30.289 29.762 0.030 0.000 1.368 218 H HN 0.415 nan 8.280 nan 0.000 0.495 219 E N 0.421 120.615 120.200 -0.010 0.000 2.023 219 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 219 E C 2.263 178.808 176.600 -0.091 0.000 1.003 219 E CA 1.494 57.845 56.400 -0.081 0.000 0.809 219 E CB -0.048 29.642 29.700 -0.015 0.000 0.755 219 E HN 0.465 nan 8.360 nan 0.000 0.449 220 K N -0.139 120.249 120.400 -0.020 0.000 2.063 220 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 220 K C 2.135 178.793 176.600 0.097 0.000 1.048 220 K CA 1.202 57.489 56.287 0.000 0.000 0.928 220 K CB -0.318 32.264 32.500 0.137 0.000 0.713 220 K HN 0.087 nan 8.250 nan 0.000 0.442 221 L N 0.945 122.249 121.223 0.136 0.000 2.131 221 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 221 L C 1.923 178.837 176.870 0.074 0.000 1.092 221 L CA 1.300 56.251 54.840 0.184 0.000 0.759 221 L CB -0.063 42.063 42.059 0.111 0.000 0.903 221 L HN -0.091 nan 8.230 nan 0.000 0.435 222 V N -0.705 119.150 119.914 -0.099 0.000 2.453 222 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 222 V C 2.449 178.510 176.094 -0.056 0.000 1.048 222 V CA 1.795 64.024 62.300 -0.119 0.000 1.049 222 V CB -0.570 31.117 31.823 -0.225 0.000 0.672 222 V HN 0.536 nan 8.190 nan 0.000 0.457 223 Q N -0.924 118.808 119.800 -0.113 0.000 2.020 223 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 223 Q C 2.237 178.157 176.000 -0.135 0.000 0.982 223 Q CA 2.229 57.922 55.803 -0.183 0.000 0.838 223 Q CB -0.368 28.162 28.738 -0.347 0.000 0.899 223 Q HN 0.663 nan 8.270 nan 0.000 0.423 224 Y N 0.488 120.809 120.300 0.035 0.000 2.256 224 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 224 Y C 2.360 178.377 175.900 0.195 0.000 1.155 224 Y CA 0.928 59.093 58.100 0.108 0.000 1.203 224 Y CB -0.737 37.857 38.460 0.223 0.000 0.980 224 Y HN 0.173 nan 8.280 nan 0.000 0.530 225 A N -0.207 122.800 122.820 0.312 0.000 1.858 225 A HA -0.296 4.024 4.320 -0.000 0.000 0.216 225 A C 2.184 179.929 177.584 0.268 0.000 1.190 225 A CA 1.975 54.203 52.037 0.318 0.000 0.617 225 A CB -0.834 18.247 19.000 0.136 0.000 0.827 225 A HN 0.399 nan 8.150 nan 0.000 0.443 226 Q N 0.225 120.095 119.800 0.118 0.000 2.061 226 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 226 Q C 2.036 178.064 176.000 0.047 0.000 0.984 226 Q CA 2.555 58.399 55.803 0.068 0.000 0.846 226 Q CB -0.355 28.382 28.738 -0.000 0.000 0.902 226 Q HN 0.676 nan 8.270 nan 0.000 0.421 227 K N -1.385 118.988 120.400 -0.045 0.000 2.032 227 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 227 K C 1.394 177.850 176.600 -0.239 0.000 1.048 227 K CA 1.684 57.837 56.287 -0.224 0.000 0.927 227 K CB -0.207 32.025 32.500 -0.447 0.000 0.712 227 K HN 0.310 nan 8.250 nan 0.000 0.441 228 Y N -1.752 118.630 120.300 0.137 0.000 2.478 228 Y HA 0.148 4.698 4.550 -0.000 0.000 0.261 228 Y C 0.901 176.762 175.900 -0.066 0.000 1.127 228 Y CA 0.133 58.241 58.100 0.013 0.000 1.288 228 Y CB 0.484 38.909 38.460 -0.058 0.000 1.084 228 Y HN 0.012 nan 8.280 nan 0.000 0.530 229 F N -2.053 118.047 119.950 0.250 0.000 2.746 229 F HA 0.331 4.858 4.527 0.000 0.000 0.320 229 F C 2.116 177.909 175.800 -0.012 0.000 1.097 229 F CA -0.015 58.046 58.000 0.102 0.000 1.195 229 F CB 0.035 39.068 39.000 0.055 0.000 1.056 229 F HN -0.064 nan 8.300 nan 0.000 0.562 230 G N 0.454 109.382 108.800 0.213 0.000 2.450 230 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 230 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 230 G C 1.551 176.499 174.900 0.080 0.000 1.130 230 G CA 1.242 46.411 45.100 0.116 0.000 0.760 230 G HN 0.546 nan 8.290 nan 0.000 0.557 231 H N -0.172 118.928 119.070 0.051 0.000 2.567 231 H HA 0.111 4.667 4.556 0.000 0.000 0.276 231 H C 0.299 175.661 175.328 0.056 0.000 1.016 231 H CA 0.246 56.315 56.048 0.035 0.000 1.186 231 H CB -0.897 28.872 29.762 0.013 0.000 1.351 231 H HN 0.103 nan 8.280 nan 0.000 0.605 232 V N 4.026 123.718 119.914 -0.369 0.000 2.555 232 V HA 0.104 4.224 4.120 -0.000 0.000 0.286 232 V C -1.866 174.196 176.094 -0.053 0.000 1.044 232 V CA -1.342 60.824 62.300 -0.223 0.000 1.026 232 V CB 1.140 32.886 31.823 -0.128 0.000 0.981 232 V HN 0.264 nan 8.190 nan 0.000 0.480 233 P HA 0.095 nan 4.420 nan 0.000 0.264 233 P C -0.352 176.954 177.300 0.011 0.000 1.193 233 P CA -0.051 63.055 63.100 0.010 0.000 0.763 233 P CB 0.401 32.113 31.700 0.020 0.000 0.810 234 K N 2.454 122.860 120.400 0.010 0.000 2.168 234 K HA 0.275 4.595 4.320 -0.000 0.000 0.258 234 K C 0.144 176.750 176.600 0.009 0.000 1.010 234 K CA -0.370 55.922 56.287 0.009 0.000 0.929 234 K CB 0.421 32.925 32.500 0.007 0.000 0.998 234 K HN 0.339 nan 8.250 nan 0.000 0.479 235 S N 1.587 117.292 115.700 0.009 0.000 2.624 235 S HA 0.028 4.498 4.470 -0.000 0.000 0.263 235 S C 0.959 175.562 174.600 0.005 0.000 1.287 235 S CA -0.752 57.452 58.200 0.007 0.000 0.990 235 S CB 1.010 64.214 63.200 0.007 0.000 0.950 235 S HN 0.641 nan 8.310 nan 0.000 0.561 236 E N 1.075 121.277 120.200 0.004 0.000 2.046 236 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 236 E C 0.171 176.773 176.600 0.004 0.000 0.982 236 E CA 0.887 57.289 56.400 0.003 0.000 0.800 236 E CB -0.094 29.607 29.700 0.002 0.000 0.756 236 E HN 0.339 nan 8.360 nan 0.000 0.449 237 S N 2.578 118.281 115.700 0.004 0.000 2.217 237 S HA 0.293 4.763 4.470 -0.000 0.000 0.168 237 S C -2.425 172.178 174.600 0.006 0.000 1.526 237 S CA -1.056 57.147 58.200 0.005 0.000 1.150 237 S CB 0.969 64.172 63.200 0.005 0.000 1.158 237 S HN 0.004 nan 8.310 nan 0.000 0.473 238 P HA 0.136 nan 4.420 nan 0.000 0.266 238 P C -0.698 176.606 177.300 0.007 0.000 1.193 238 P CA -0.175 62.928 63.100 0.006 0.000 0.770 238 P CB 0.514 32.217 31.700 0.005 0.000 0.836 239 V N 0.418 120.336 119.914 0.008 0.000 2.808 239 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 239 V C -2.754 173.345 176.094 0.008 0.000 1.099 239 V CA -2.919 59.386 62.300 0.009 0.000 0.920 239 V CB 1.504 33.335 31.823 0.013 0.000 1.014 239 V HN 0.291 nan 8.190 nan 0.000 0.425 240 P HA 0.259 nan 4.420 nan 0.000 0.266 240 P C 1.211 178.514 177.300 0.005 0.000 1.195 240 P CA -0.062 63.040 63.100 0.004 0.000 0.768 240 P CB 0.632 32.335 31.700 0.005 0.000 0.838 241 L N 1.710 122.932 121.223 -0.002 0.000 2.197 241 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 241 L C 2.107 178.980 176.870 0.005 0.000 1.095 241 L CA 2.025 56.864 54.840 -0.003 0.000 0.764 241 L CB -0.772 41.275 42.059 -0.021 0.000 0.897 241 L HN 0.618 nan 8.230 nan 0.000 0.436 242 G N -1.455 107.349 108.800 0.007 0.000 2.887 242 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.211 242 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.211 242 G C 0.642 175.562 174.900 0.034 0.000 1.152 242 G CA 0.366 45.477 45.100 0.019 0.000 0.769 242 G HN 0.408 nan 8.290 nan 0.000 0.541 243 S N 2.047 117.763 115.700 0.028 0.000 2.568 243 S HA 0.364 4.834 4.470 -0.000 0.000 0.282 243 S C -2.175 172.449 174.600 0.039 0.000 1.338 243 S CA -1.146 57.072 58.200 0.031 0.000 1.045 243 S CB 0.833 64.047 63.200 0.023 0.000 0.873 243 S HN 0.163 nan 8.310 nan 0.000 0.516 244 P HA 0.023 nan 4.420 nan 0.000 0.258 244 P C 0.504 177.827 177.300 0.039 0.000 1.172 244 P CA -0.056 63.071 63.100 0.045 0.000 0.762 244 P CB 0.511 32.236 31.700 0.042 0.000 0.764 245 R N 3.462 123.988 120.500 0.043 0.000 2.083 245 R HA -0.031 4.309 4.340 -0.000 0.000 0.237 245 R C 1.306 177.622 176.300 0.028 0.000 1.137 245 R CA 2.354 58.475 56.100 0.035 0.000 0.951 245 R CB -0.628 29.695 30.300 0.037 0.000 0.851 245 R HN 0.775 nan 8.270 nan 0.000 0.434 246 G N -2.343 106.475 108.800 0.030 0.000 2.586 246 G HA2 0.203 4.163 3.960 -0.000 0.000 0.105 246 G HA3 0.203 4.163 3.960 -0.000 0.000 0.105 246 G C -2.406 172.513 174.900 0.031 0.000 1.129 246 G CA -0.598 44.517 45.100 0.026 0.000 1.127 246 G HN 0.162 nan 8.290 nan 0.000 0.532 247 P HA 0.540 nan 4.420 nan 0.000 0.271 247 P C -0.521 176.804 177.300 0.042 0.000 1.220 247 P CA -0.433 62.688 63.100 0.036 0.000 0.768 247 P CB 0.754 32.474 31.700 0.033 0.000 0.848 248 L N 6.495 127.749 121.223 0.053 0.000 2.490 248 L HA 0.170 4.510 4.340 -0.000 0.000 0.274 248 L C -1.670 175.248 176.870 0.080 0.000 1.201 248 L CA -0.921 53.959 54.840 0.067 0.000 0.869 248 L CB -1.047 41.058 42.059 0.077 0.000 1.123 248 L HN 0.385 nan 8.230 nan 0.000 0.484 249 P HA 0.127 nan 4.420 nan 0.000 0.269 249 P C -1.143 176.283 177.300 0.209 0.000 1.217 249 P CA -0.215 62.953 63.100 0.114 0.000 0.783 249 P CB 0.686 32.400 31.700 0.024 0.000 0.898 250 V N 3.609 123.674 119.914 0.251 0.000 2.588 250 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 250 V C -1.215 175.028 176.094 0.247 0.000 1.042 250 V CA -1.056 61.383 62.300 0.231 0.000 0.877 250 V CB 0.880 32.788 31.823 0.142 0.000 0.996 250 V HN 0.344 nan 8.190 nan 0.000 0.425 251 F N 7.401 127.390 119.950 0.065 0.000 2.471 251 F HA 0.537 5.064 4.527 0.000 0.000 0.365 251 F C 0.256 176.020 175.800 -0.060 0.000 1.095 251 F CA -0.217 57.743 58.000 -0.067 0.000 1.174 251 F CB 0.091 39.051 39.000 -0.066 0.000 1.105 251 F HN 0.598 nan 8.300 nan 0.000 0.535 252 C N 7.266 126.323 119.300 -0.405 0.000 2.303 252 C HA 0.508 4.968 4.460 -0.000 0.000 0.326 252 C C 0.016 174.816 174.990 -0.316 0.000 1.285 252 C CA -1.081 57.812 59.018 -0.209 0.000 1.675 252 C CB 0.537 28.181 27.740 -0.159 0.000 2.289 252 C HN 0.868 nan 8.230 nan 0.000 0.512 253 R N 2.442 122.920 120.500 -0.037 0.000 2.490 253 R HA 0.689 5.029 4.340 -0.000 0.000 0.280 253 R C 0.041 176.309 176.300 -0.053 0.000 1.077 253 R CA 0.059 56.166 56.100 0.012 0.000 1.065 253 R CB 0.529 30.902 30.300 0.122 0.000 1.003 253 R HN 0.933 nan 8.270 nan 0.000 0.470 254 G N 1.245 110.005 108.800 -0.067 0.000 2.523 254 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 254 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 254 G C -1.880 172.966 174.900 -0.089 0.000 1.450 254 G CA -0.991 44.068 45.100 -0.068 0.000 0.790 254 G HN 0.767 nan 8.290 nan 0.000 0.496 255 E N -0.587 119.546 120.200 -0.111 0.000 2.356 255 E HA 0.715 5.065 4.350 -0.000 0.000 0.275 255 E C -1.142 175.302 176.600 -0.260 0.000 0.904 255 E CA -1.169 55.087 56.400 -0.240 0.000 0.757 255 E CB 3.007 32.536 29.700 -0.285 0.000 1.232 255 E HN 0.473 nan 8.360 nan 0.000 0.442 256 R N 2.818 123.086 120.500 -0.387 0.000 2.500 256 R HA 0.336 4.676 4.340 -0.000 0.000 0.299 256 R C -1.778 174.294 176.300 -0.380 0.000 1.038 256 R CA -0.618 55.323 56.100 -0.265 0.000 0.903 256 R CB 0.938 31.140 30.300 -0.164 0.000 1.177 256 R HN 0.481 nan 8.270 nan 0.000 0.455 257 F N 5.453 125.366 119.950 -0.061 0.000 2.404 257 F HA 0.443 4.970 4.527 -0.000 0.000 0.354 257 F C 0.469 176.218 175.800 -0.085 0.000 1.122 257 F CA -0.561 57.400 58.000 -0.065 0.000 1.080 257 F CB 1.319 40.291 39.000 -0.046 0.000 1.131 257 F HN 0.293 nan 8.300 nan 0.000 0.471 258 I N 4.260 124.857 120.570 0.045 0.000 2.412 258 I HA 0.181 4.351 4.170 -0.000 0.000 0.279 258 I C 0.081 176.202 176.117 0.007 0.000 1.063 258 I CA -0.683 60.603 61.300 -0.023 0.000 1.193 258 I CB 0.719 38.639 38.000 -0.133 0.000 1.370 258 I HN 0.492 nan 8.210 nan 0.000 0.479 259 K N 4.692 125.106 120.400 0.024 0.000 2.451 259 K HA 0.060 4.380 4.320 -0.000 0.000 0.280 259 K C -0.123 176.471 176.600 -0.011 0.000 1.020 259 K CA 0.445 56.735 56.287 0.005 0.000 1.008 259 K CB 0.538 33.037 32.500 -0.003 0.000 0.917 259 K HN 0.382 nan 8.250 nan 0.000 0.478 260 E N 3.987 124.174 120.200 -0.022 0.000 2.829 260 E HA 0.133 4.483 4.350 -0.000 0.000 0.350 260 E C -0.874 175.706 176.600 -0.032 0.000 1.119 260 E CA -0.295 56.087 56.400 -0.030 0.000 0.764 260 E CB -0.026 29.642 29.700 -0.054 0.000 1.576 260 E HN 0.576 nan 8.360 nan 0.000 0.379 261 N N 1.213 119.900 118.700 -0.022 0.000 2.575 261 N HA -0.075 4.665 4.740 -0.000 0.000 0.192 261 N C 1.085 176.585 175.510 -0.016 0.000 1.200 261 N CA 1.147 54.184 53.050 -0.021 0.000 0.897 261 N CB 0.364 38.840 38.487 -0.018 0.000 0.990 261 N HN 0.583 nan 8.380 nan 0.000 0.449 262 T N -2.477 112.069 114.554 -0.013 0.000 3.044 262 T HA 0.180 4.530 4.350 -0.000 0.000 0.250 262 T C 0.797 175.498 174.700 0.001 0.000 1.081 262 T CA -0.188 61.911 62.100 -0.001 0.000 1.040 262 T CB 0.105 68.980 68.868 0.012 0.000 0.962 262 T HN -0.024 nan 8.240 nan 0.000 0.506 263 L N 2.323 123.530 121.223 -0.026 0.000 2.367 263 L HA 0.298 4.638 4.340 -0.000 0.000 0.275 263 L C -1.417 175.449 176.870 -0.008 0.000 1.129 263 L CA -1.981 52.837 54.840 -0.035 0.000 0.839 263 L CB 1.150 43.118 42.059 -0.152 0.000 1.133 263 L HN 0.016 nan 8.230 nan 0.000 0.453 264 P HA -0.061 nan 4.420 nan 0.000 0.217 264 P C 0.304 177.613 177.300 0.015 0.000 1.151 264 P CA 0.842 63.960 63.100 0.029 0.000 0.828 264 P CB 0.121 31.855 31.700 0.057 0.000 0.788 265 T N -4.095 110.477 114.554 0.029 0.000 2.918 265 T HA 0.579 4.929 4.350 -0.000 0.000 0.286 265 T C -0.294 174.334 174.700 -0.120 0.000 1.026 265 T CA -0.627 61.443 62.100 -0.051 0.000 1.031 265 T CB 1.413 70.243 68.868 -0.064 0.000 1.046 265 T HN -0.297 nan 8.240 nan 0.000 0.479 266 T N 2.198 116.622 114.554 -0.216 0.000 2.823 266 T HA 0.452 4.802 4.350 -0.000 0.000 0.279 266 T C -0.825 173.668 174.700 -0.344 0.000 0.998 266 T CA -0.673 61.335 62.100 -0.153 0.000 0.994 266 T CB 0.538 69.365 68.868 -0.068 0.000 0.960 266 T HN 0.652 nan 8.240 nan 0.000 0.448 267 H N 2.675 121.720 119.070 -0.042 0.000 2.589 267 H HA 0.511 5.067 4.556 -0.000 0.000 0.335 267 H C -0.898 174.424 175.328 -0.010 0.000 1.019 267 H CA -0.581 55.456 56.048 -0.018 0.000 1.213 267 H CB 1.503 31.352 29.762 0.144 0.000 1.472 267 H HN 0.333 nan 8.280 nan 0.000 0.508 268 I N 2.101 122.682 120.570 0.017 0.000 2.545 268 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 268 I C -0.205 175.973 176.117 0.102 0.000 1.040 268 I CA -0.525 60.794 61.300 0.032 0.000 1.068 268 I CB 2.098 40.095 38.000 -0.004 0.000 1.251 268 I HN 0.611 nan 8.210 nan 0.000 0.424 269 A N 7.006 129.871 122.820 0.075 0.000 2.343 269 A HA 0.906 5.226 4.320 -0.000 0.000 0.308 269 A C -0.836 176.848 177.584 0.166 0.000 1.092 269 A CA -0.404 51.707 52.037 0.124 0.000 0.751 269 A CB 0.717 19.560 19.000 -0.263 0.000 1.203 269 A HN 0.647 nan 8.150 nan 0.000 0.452 270 I N 1.977 122.741 120.570 0.324 0.000 2.436 270 I HA 0.647 4.817 4.170 -0.000 0.000 0.289 270 I C 0.269 176.660 176.117 0.456 0.000 1.010 270 I CA -0.243 61.246 61.300 0.316 0.000 1.098 270 I CB 2.019 40.181 38.000 0.270 0.000 1.266 270 I HN 0.777 nan 8.210 nan 0.000 0.434 271 A N 6.634 129.703 122.820 0.415 0.000 2.515 271 A HA 0.972 5.292 4.320 -0.000 0.000 0.296 271 A C -1.491 176.325 177.584 0.387 0.000 1.094 271 A CA -0.449 51.858 52.037 0.451 0.000 0.718 271 A CB 1.732 21.077 19.000 0.575 0.000 1.307 271 A HN 0.543 nan 8.150 nan 0.000 0.408 272 L N -0.078 121.278 121.223 0.222 0.000 2.359 272 L HA 0.511 4.851 4.340 -0.000 0.000 0.256 272 L C 0.161 176.796 176.870 -0.392 0.000 1.026 272 L CA -0.535 54.181 54.840 -0.208 0.000 0.828 272 L CB 1.917 43.805 42.059 -0.284 0.000 1.406 272 L HN 0.897 nan 8.230 nan 0.000 0.413 273 E N 0.033 119.583 120.200 -1.084 0.000 2.480 273 E HA 0.275 4.625 4.350 -0.000 0.000 0.258 273 E C 0.212 176.691 176.600 -0.201 0.000 0.984 273 E CA 0.577 56.640 56.400 -0.562 0.000 0.930 273 E CB 0.693 30.040 29.700 -0.587 0.000 0.936 273 E HN 0.654 nan 8.360 nan 0.000 0.466 274 G N 3.195 112.033 108.800 0.063 0.000 3.182 274 G HA2 0.366 4.326 3.960 -0.000 0.000 0.167 274 G HA3 0.366 4.326 3.960 -0.000 0.000 0.167 274 G C -0.734 174.259 174.900 0.155 0.000 1.537 274 G CA -0.260 44.932 45.100 0.154 0.000 1.046 274 G HN 0.520 nan 8.290 nan 0.000 0.580 275 V N -0.108 119.914 119.914 0.180 0.000 2.925 275 V HA 0.592 4.712 4.120 -0.000 0.000 0.311 275 V C 0.115 176.264 176.094 0.092 0.000 1.104 275 V CA -0.331 62.069 62.300 0.167 0.000 0.954 275 V CB 2.123 34.069 31.823 0.205 0.000 1.022 275 V HN 1.058 nan 8.190 nan 0.000 0.427 276 S N 3.106 118.860 115.700 0.090 0.000 2.669 276 S HA 0.306 4.776 4.470 -0.000 0.000 0.270 276 S C 0.555 175.140 174.600 -0.025 0.000 1.225 276 S CA -0.264 57.938 58.200 0.004 0.000 0.991 276 S CB 0.712 63.967 63.200 0.092 0.000 0.987 276 S HN 0.746 nan 8.310 nan 0.000 0.552 277 W N 0.789 122.056 121.300 -0.055 0.000 2.350 277 W HA -0.081 4.579 4.660 -0.000 0.000 0.289 277 W C 2.597 178.887 176.519 -0.382 0.000 1.215 277 W CA 1.063 58.201 57.345 -0.345 0.000 1.236 277 W CB -0.362 28.955 29.460 -0.238 0.000 1.130 277 W HN 0.865 nan 8.180 nan 0.000 0.541 278 S N -0.700 115.048 115.700 0.079 0.000 2.556 278 S HA 0.490 4.960 4.470 -0.000 0.000 0.216 278 S C 0.871 175.506 174.600 0.059 0.000 0.970 278 S CA -0.138 58.087 58.200 0.040 0.000 0.912 278 S CB -0.509 62.731 63.200 0.068 0.000 0.790 278 S HN 0.105 nan 8.310 nan 0.000 0.504 279 A N 3.065 125.934 122.820 0.082 0.000 2.561 279 A HA 0.388 4.708 4.320 -0.000 0.000 0.234 279 A C -1.003 176.658 177.584 0.127 0.000 1.055 279 A CA -0.931 51.175 52.037 0.115 0.000 0.756 279 A CB -0.109 18.984 19.000 0.154 0.000 0.986 279 A HN 0.313 nan 8.150 nan 0.000 0.505 280 P HA -0.089 nan 4.420 nan 0.000 0.221 280 P C 0.390 177.784 177.300 0.156 0.000 1.150 280 P CA 1.408 64.584 63.100 0.126 0.000 0.800 280 P CB 0.093 31.843 31.700 0.084 0.000 0.787 281 D N -2.358 118.132 120.400 0.151 0.000 2.342 281 D HA -0.090 4.550 4.640 -0.000 0.000 0.221 281 D C 1.563 177.892 176.300 0.050 0.000 1.101 281 D CA -0.504 53.579 54.000 0.139 0.000 0.837 281 D CB -1.141 39.816 40.800 0.260 0.000 0.938 281 D HN 0.133 nan 8.370 nan 0.000 0.508 282 Y N 1.420 121.670 120.300 -0.083 0.000 2.062 282 Y HA -0.324 4.226 4.550 -0.000 0.000 0.276 282 Y C 1.409 177.091 175.900 -0.363 0.000 1.189 282 Y CA 1.966 59.906 58.100 -0.266 0.000 1.130 282 Y CB -0.557 37.638 38.460 -0.441 0.000 0.959 282 Y HN -0.086 nan 8.280 nan 0.000 0.499 283 F N -1.240 118.640 119.950 -0.118 0.000 2.234 283 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 283 F C 2.394 178.010 175.800 -0.305 0.000 1.087 283 F CA 1.262 59.126 58.000 -0.227 0.000 1.340 283 F CB -1.056 37.921 39.000 -0.038 0.000 1.031 283 F HN -0.115 nan 8.300 nan 0.000 0.500 284 V N -0.037 119.782 119.914 -0.157 0.000 2.490 284 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 284 V C 2.532 178.174 176.094 -0.754 0.000 1.061 284 V CA 1.626 63.721 62.300 -0.341 0.000 1.064 284 V CB -1.269 30.384 31.823 -0.282 0.000 0.670 284 V HN 0.362 nan 8.190 nan 0.000 0.461 285 A N -0.190 122.061 122.820 -0.948 0.000 1.898 285 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 285 A C 2.184 179.463 177.584 -0.508 0.000 1.181 285 A CA 1.471 52.781 52.037 -1.212 0.000 0.620 285 A CB -0.422 18.166 19.000 -0.688 0.000 0.819 285 A HN 0.488 nan 8.150 nan 0.000 0.442 286 L N -0.878 120.092 121.223 -0.422 0.000 2.141 286 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 286 L C 3.053 179.831 176.870 -0.152 0.000 1.094 286 L CA 0.941 55.630 54.840 -0.252 0.000 0.763 286 L CB -0.603 41.278 42.059 -0.296 0.000 0.908 286 L HN 0.454 nan 8.230 nan 0.000 0.437 287 A N -0.162 122.549 122.820 -0.181 0.000 1.930 287 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 287 A C 2.335 179.870 177.584 -0.082 0.000 1.175 287 A CA 2.186 54.155 52.037 -0.113 0.000 0.627 287 A CB -0.754 18.176 19.000 -0.117 0.000 0.815 287 A HN 0.369 nan 8.150 nan 0.000 0.443 288 T N -0.494 113.974 114.554 -0.143 0.000 2.904 288 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 288 T C 2.022 176.839 174.700 0.195 0.000 1.059 288 T CA 1.358 63.458 62.100 -0.001 0.000 1.137 288 T CB -0.190 68.585 68.868 -0.155 0.000 0.879 288 T HN 0.661 nan 8.240 nan 0.000 0.467 289 Q N 0.878 120.777 119.800 0.164 0.000 2.084 289 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 289 Q C 2.443 178.443 176.000 -0.000 0.000 0.978 289 Q CA 1.485 57.282 55.803 -0.009 0.000 0.844 289 Q CB -0.272 28.354 28.738 -0.186 0.000 0.898 289 Q HN 0.539 nan 8.270 nan 0.000 0.426 290 A N 0.559 123.384 122.820 0.009 0.000 1.969 290 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 290 A C 1.943 179.560 177.584 0.055 0.000 1.169 290 A CA 0.815 52.867 52.037 0.024 0.000 0.635 290 A CB -0.451 18.552 19.000 0.005 0.000 0.810 290 A HN 0.481 nan 8.150 nan 0.000 0.445 291 I N -0.525 120.086 120.570 0.068 0.000 2.394 291 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 291 I C 2.116 178.304 176.117 0.119 0.000 1.136 291 I CA 0.823 62.174 61.300 0.085 0.000 1.425 291 I CB 0.064 38.116 38.000 0.086 0.000 1.079 291 I HN 0.172 nan 8.210 nan 0.000 0.425 292 V N 0.256 120.261 119.914 0.150 0.000 2.446 292 V HA 0.124 4.244 4.120 -0.000 0.000 0.244 292 V C 1.469 177.677 176.094 0.189 0.000 1.039 292 V CA 1.016 63.419 62.300 0.172 0.000 1.045 292 V CB -1.240 30.717 31.823 0.224 0.000 0.681 292 V HN 0.647 nan 8.190 nan 0.000 0.459 293 G N 1.078 109.973 108.800 0.158 0.000 2.601 293 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 293 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 293 G C -0.372 174.704 174.900 0.294 0.000 1.289 293 G CA 0.187 45.394 45.100 0.179 0.000 0.920 293 G HN 0.492 nan 8.290 nan 0.000 0.571 294 N N -1.250 117.587 118.700 0.227 0.000 2.545 294 N HA 0.736 5.476 4.740 -0.000 0.000 0.289 294 N C -1.184 174.295 175.510 -0.052 0.000 1.279 294 N CA -0.093 53.046 53.050 0.149 0.000 0.824 294 N CB 2.051 40.589 38.487 0.085 0.000 1.395 294 N HN 0.953 nan 8.380 nan 0.000 0.526 295 W N 0.334 121.256 121.300 -0.630 0.000 3.571 295 W HA 0.321 4.981 4.660 0.000 0.000 0.294 295 W C -2.135 174.115 176.519 -0.447 0.000 1.257 295 W CA -0.430 56.528 57.345 -0.645 0.000 1.206 295 W CB 1.225 30.010 29.460 -1.124 0.000 1.325 295 W HN 0.302 nan 8.180 nan 0.000 0.546 296 D N 4.848 124.535 120.400 -1.189 0.000 2.757 296 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 296 D C 0.868 176.178 176.300 -1.651 0.000 1.168 296 D CA -0.453 52.879 54.000 -1.113 0.000 0.870 296 D CB 2.167 42.646 40.800 -0.535 0.000 1.411 296 D HN 0.724 nan 8.370 nan 0.000 0.525 297 R N 2.740 122.286 120.500 -1.589 0.000 2.133 297 R HA -0.230 4.110 4.340 -0.000 0.000 0.247 297 R C 1.508 177.541 176.300 -0.446 0.000 1.151 297 R CA 2.329 57.850 56.100 -0.964 0.000 0.971 297 R CB 0.057 30.132 30.300 -0.374 0.000 0.866 297 R HN 0.467 nan 8.270 nan 0.000 0.447 298 A N 0.179 122.772 122.820 -0.378 0.000 1.887 298 A HA 0.046 4.366 4.320 -0.000 0.000 0.212 298 A C 1.891 179.356 177.584 -0.199 0.000 1.198 298 A CA 0.507 52.417 52.037 -0.212 0.000 0.628 298 A CB 0.075 18.983 19.000 -0.153 0.000 0.847 298 A HN 0.230 nan 8.150 nan 0.000 0.449 299 I N -0.980 119.434 120.570 -0.260 0.000 2.852 299 I HA 0.191 4.361 4.170 -0.000 0.000 0.264 299 I C 1.592 177.602 176.117 -0.179 0.000 1.179 299 I CA 1.307 62.492 61.300 -0.191 0.000 1.480 299 I CB -1.859 36.036 38.000 -0.175 0.000 1.111 299 I HN 0.499 nan 8.210 nan 0.000 0.441 300 G N 1.500 110.122 108.800 -0.296 0.000 2.466 300 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 300 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 300 G C 0.646 175.495 174.900 -0.085 0.000 1.237 300 G CA 0.423 45.450 45.100 -0.121 0.000 0.954 300 G HN 0.264 nan 8.290 nan 0.000 0.580 301 T N -2.329 112.271 114.554 0.076 0.000 3.022 301 T HA 0.476 4.826 4.350 -0.000 0.000 0.250 301 T C 2.399 177.121 174.700 0.035 0.000 1.060 301 T CA 1.721 63.876 62.100 0.091 0.000 1.013 301 T CB 0.489 69.451 68.868 0.157 0.000 0.982 301 T HN 2.832 nan 8.240 nan 0.000 0.508 302 G N 0.705 109.514 108.800 0.015 0.000 2.157 302 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 302 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 302 G C 0.118 175.033 174.900 0.025 0.000 0.979 302 G CA 0.246 45.352 45.100 0.010 0.000 0.650 302 G HN 0.788 nan 8.290 nan 0.000 0.529 303 T N -0.281 114.297 114.554 0.039 0.000 2.908 303 T HA 0.467 4.817 4.350 -0.000 0.000 0.290 303 T C 1.106 175.830 174.700 0.040 0.000 1.034 303 T CA -0.010 62.115 62.100 0.042 0.000 1.010 303 T CB 1.683 70.584 68.868 0.055 0.000 1.068 303 T HN 0.141 nan 8.240 nan 0.000 0.481 304 N N 0.779 119.500 118.700 0.034 0.000 2.270 304 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 304 N C -0.178 175.354 175.510 0.036 0.000 1.016 304 N CA 0.585 53.654 53.050 0.031 0.000 0.870 304 N CB 0.282 38.784 38.487 0.025 0.000 0.979 304 N HN 0.367 nan 8.380 nan 0.000 0.431 305 S N 1.622 117.346 115.700 0.040 0.000 2.707 305 S HA 0.461 4.931 4.470 -0.000 0.000 0.303 305 S C -2.605 172.027 174.600 0.053 0.000 1.132 305 S CA -0.950 57.276 58.200 0.042 0.000 1.046 305 S CB 2.210 65.430 63.200 0.034 0.000 1.004 305 S HN 0.152 nan 8.310 nan 0.000 0.483 306 P HA 0.254 nan 4.420 nan 0.000 0.275 306 P C -0.104 177.228 177.300 0.054 0.000 1.228 306 P CA -0.474 62.671 63.100 0.075 0.000 0.786 306 P CB 0.501 32.251 31.700 0.084 0.000 0.927 307 S N 2.262 118.000 115.700 0.064 0.000 2.624 307 S HA 0.242 4.712 4.470 -0.000 0.000 0.263 307 S C -1.706 172.899 174.600 0.008 0.000 1.287 307 S CA -0.865 57.362 58.200 0.045 0.000 0.990 307 S CB -0.027 63.213 63.200 0.066 0.000 0.950 307 S HN 0.223 nan 8.310 nan 0.000 0.561 308 P HA -0.077 nan 4.420 nan 0.000 0.218 308 P C 1.586 178.844 177.300 -0.071 0.000 1.148 308 P CA 0.468 63.549 63.100 -0.032 0.000 0.822 308 P CB -0.042 31.643 31.700 -0.025 0.000 0.784 309 L N -0.167 121.010 121.223 -0.077 0.000 2.027 309 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 309 L C 2.202 178.980 176.870 -0.155 0.000 1.074 309 L CA 2.168 56.923 54.840 -0.143 0.000 0.745 309 L CB -1.576 40.367 42.059 -0.194 0.000 0.898 309 L HN -0.113 nan 8.230 nan 0.000 0.433 310 A N -0.948 121.828 122.820 -0.075 0.000 1.933 310 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 310 A C 2.278 179.643 177.584 -0.364 0.000 1.175 310 A CA 2.024 53.897 52.037 -0.275 0.000 0.628 310 A CB -1.157 17.828 19.000 -0.024 0.000 0.814 310 A HN 0.341 nan 8.150 nan 0.000 0.444 311 V N -0.249 119.569 119.914 -0.160 0.000 2.295 311 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 311 V C 3.075 179.076 176.094 -0.155 0.000 1.049 311 V CA 1.978 64.213 62.300 -0.109 0.000 1.024 311 V CB -1.210 30.582 31.823 -0.050 0.000 0.648 311 V HN 0.626 nan 8.190 nan 0.000 0.447 312 A N 0.026 122.743 122.820 -0.172 0.000 1.877 312 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 312 A C 2.446 179.884 177.584 -0.243 0.000 1.186 312 A CA 2.214 54.151 52.037 -0.167 0.000 0.620 312 A CB -0.949 17.959 19.000 -0.152 0.000 0.822 312 A HN 0.594 nan 8.150 nan 0.000 0.443 313 A N 0.226 122.793 122.820 -0.421 0.000 1.948 313 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 313 A C 2.449 179.707 177.584 -0.543 0.000 1.177 313 A CA 2.553 54.205 52.037 -0.642 0.000 0.636 313 A CB -0.904 17.367 19.000 -1.215 0.000 0.815 313 A HN 1.117 nan 8.150 nan 0.000 0.449 314 S N -1.082 114.375 115.700 -0.406 0.000 2.527 314 S HA 0.081 4.551 4.470 -0.000 0.000 0.222 314 S C 0.875 175.506 174.600 0.050 0.000 0.985 314 S CA -0.083 58.151 58.200 0.058 0.000 0.921 314 S CB -0.208 63.136 63.200 0.239 0.000 0.772 314 S HN 0.664 nan 8.310 nan 0.000 0.529 315 Q N 2.326 122.109 119.800 -0.028 0.000 2.382 315 Q HA 0.208 4.548 4.340 -0.000 0.000 0.229 315 Q C -0.176 175.833 176.000 0.015 0.000 1.006 315 Q CA -0.291 55.511 55.803 -0.002 0.000 0.916 315 Q CB 0.205 28.928 28.738 -0.026 0.000 1.235 315 Q HN 0.673 nan 8.270 nan 0.000 0.512 316 N N 0.193 118.905 118.700 0.020 0.000 2.725 316 N HA -0.315 4.425 4.740 -0.000 0.000 0.280 316 N C 0.461 175.996 175.510 0.043 0.000 1.017 316 N CA 0.671 53.736 53.050 0.024 0.000 0.813 316 N CB -1.447 37.047 38.487 0.012 0.000 0.931 316 N HN 1.039 nan 8.380 nan 0.000 0.570 317 G N -0.505 108.330 108.800 0.059 0.000 2.299 317 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 317 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 317 G C 0.065 175.052 174.900 0.145 0.000 1.027 317 G CA 1.119 46.266 45.100 0.079 0.000 0.619 317 G HN 2.478 nan 8.290 nan 0.000 0.513 318 S N -2.319 113.474 115.700 0.154 0.000 2.996 318 S HA -0.021 4.449 4.470 -0.000 0.000 0.849 318 S C 0.304 175.018 174.600 0.190 0.000 0.950 318 S CA 0.437 58.763 58.200 0.209 0.000 1.370 318 S CB -1.085 62.324 63.200 0.348 0.000 0.976 318 S HN 1.345 nan 8.310 nan 0.000 0.237 319 L N 1.244 122.452 121.223 -0.025 0.000 2.616 319 L HA 0.689 5.029 4.340 -0.000 0.000 0.229 319 L C 1.122 177.592 176.870 -0.666 0.000 1.110 319 L CA 0.705 55.444 54.840 -0.169 0.000 0.884 319 L CB -0.116 41.851 42.059 -0.153 0.000 1.115 319 L HN 1.154 nan 8.230 nan 0.000 0.481 320 A N -0.915 121.433 122.820 -0.787 0.000 2.483 320 A HA 0.409 4.729 4.320 -0.000 0.000 0.294 320 A C -0.525 176.990 177.584 -0.116 0.000 1.077 320 A CA -0.524 51.070 52.037 -0.738 0.000 0.633 320 A CB 0.524 19.424 19.000 -0.167 0.000 1.318 320 A HN -0.099 nan 8.150 nan 0.000 0.455 321 N N -0.016 118.686 118.700 0.003 0.000 2.409 321 N HA 0.197 4.937 4.740 -0.000 0.000 0.174 321 N C 0.206 175.642 175.510 -0.124 0.000 1.037 321 N CA 1.386 54.443 53.050 0.012 0.000 0.898 321 N CB 0.328 38.816 38.487 0.002 0.000 1.010 321 N HN 1.184 nan 8.380 nan 0.000 0.445 322 S N -1.275 114.430 115.700 0.008 0.000 2.633 322 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 322 S C -1.864 172.825 174.600 0.148 0.000 1.112 322 S CA -1.093 57.096 58.200 -0.019 0.000 0.828 322 S CB 0.563 63.678 63.200 -0.143 0.000 1.086 322 S HN 0.185 nan 8.310 nan 0.000 0.461 323 Y N -0.367 120.063 120.300 0.217 0.000 2.562 323 Y HA 0.872 5.422 4.550 0.000 0.000 0.345 323 Y C -0.865 175.143 175.900 0.180 0.000 1.045 323 Y CA -1.516 56.665 58.100 0.135 0.000 1.028 323 Y CB 1.633 40.152 38.460 0.099 0.000 1.297 323 Y HN 1.036 nan 8.280 nan 0.000 0.463 324 M N 3.160 123.049 119.600 0.483 0.000 2.238 324 M HA 0.529 5.009 4.480 -0.000 0.000 0.278 324 M C -1.651 174.887 176.300 0.398 0.000 1.040 324 M CA -0.314 55.236 55.300 0.416 0.000 0.969 324 M CB 1.910 34.759 32.600 0.416 0.000 1.694 324 M HN 0.844 nan 8.290 nan 0.000 0.472 325 S N 4.385 120.227 115.700 0.237 0.000 2.580 325 S HA 0.672 5.142 4.470 -0.000 0.000 0.274 325 S C -0.821 173.773 174.600 -0.010 0.000 1.329 325 S CA -0.283 57.907 58.200 -0.017 0.000 1.036 325 S CB 0.377 63.499 63.200 -0.130 0.000 0.919 325 S HN 0.512 nan 8.310 nan 0.000 0.515 326 F N -0.650 119.194 119.950 -0.178 0.000 2.626 326 F HA 0.844 5.371 4.527 0.000 0.000 0.311 326 F C -0.484 175.134 175.800 -0.304 0.000 1.088 326 F CA -1.041 56.860 58.000 -0.164 0.000 0.949 326 F CB 1.520 40.499 39.000 -0.036 0.000 1.322 326 F HN 0.395 nan 8.300 nan 0.000 0.461 327 S N 0.745 116.469 115.700 0.040 0.000 2.689 327 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 327 S C -1.470 173.170 174.600 0.067 0.000 1.176 327 S CA -0.319 57.891 58.200 0.017 0.000 1.014 327 S CB 1.229 64.383 63.200 -0.077 0.000 1.071 327 S HN 0.873 nan 8.310 nan 0.000 0.478 328 T N 3.501 118.116 114.554 0.101 0.000 2.823 328 T HA 0.657 5.007 4.350 -0.000 0.000 0.279 328 T C -0.543 173.947 174.700 -0.349 0.000 0.998 328 T CA -0.483 61.539 62.100 -0.129 0.000 0.994 328 T CB 1.671 70.507 68.868 -0.055 0.000 0.960 328 T HN 0.439 nan 8.240 nan 0.000 0.448 329 S N 1.266 116.506 115.700 -0.766 0.000 2.566 329 S HA 0.809 5.279 4.470 -0.000 0.000 0.298 329 S C -1.530 172.236 174.600 -1.391 0.000 1.083 329 S CA -0.616 56.952 58.200 -1.053 0.000 0.978 329 S CB 0.888 63.259 63.200 -1.382 0.000 1.073 329 S HN 0.575 nan 8.310 nan 0.000 0.491 330 Y N -0.425 119.572 120.300 -0.505 0.000 2.638 330 Y HA 0.576 5.126 4.550 -0.000 0.000 0.339 330 Y C 1.035 176.964 175.900 0.049 0.000 1.084 330 Y CA -0.921 57.128 58.100 -0.085 0.000 1.068 330 Y CB 0.774 39.254 38.460 0.034 0.000 1.294 330 Y HN 0.686 nan 8.280 nan 0.000 0.480 331 A N 0.111 123.244 122.820 0.521 0.000 1.940 331 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 331 A C 0.879 178.607 177.584 0.240 0.000 1.176 331 A CA 2.408 54.695 52.037 0.417 0.000 0.631 331 A CB -0.693 18.486 19.000 0.299 0.000 0.814 331 A HN 0.793 nan 8.150 nan 0.000 0.446 332 D N -2.739 117.783 120.400 0.203 0.000 2.513 332 D HA 0.412 5.052 4.640 -0.000 0.000 0.222 332 D C 0.220 176.617 176.300 0.163 0.000 1.210 332 D CA 0.524 54.613 54.000 0.148 0.000 0.825 332 D CB 0.199 41.061 40.800 0.104 0.000 1.037 332 D HN 0.174 nan 8.370 nan 0.000 0.506 333 S N -1.771 114.056 115.700 0.212 0.000 2.655 333 S HA 0.732 5.202 4.470 -0.000 0.000 0.266 333 S C -1.438 173.336 174.600 0.290 0.000 1.149 333 S CA -0.300 58.064 58.200 0.273 0.000 0.818 333 S CB 1.142 64.544 63.200 0.336 0.000 1.130 333 S HN 0.465 nan 8.310 nan 0.000 0.476 334 G N 0.541 109.542 108.800 0.335 0.000 2.673 334 G HA2 0.613 4.573 3.960 -0.000 0.000 0.292 334 G HA3 0.613 4.573 3.960 -0.000 0.000 0.292 334 G C -2.329 172.776 174.900 0.342 0.000 1.450 334 G CA -0.601 44.649 45.100 0.249 0.000 0.837 334 G HN 0.724 nan 8.290 nan 0.000 0.505 335 L N 0.031 121.452 121.223 0.330 0.000 2.362 335 L HA 0.685 5.025 4.340 -0.000 0.000 0.275 335 L C -1.277 175.872 176.870 0.465 0.000 0.998 335 L CA -0.652 54.442 54.840 0.424 0.000 0.820 335 L CB 2.636 44.965 42.059 0.449 0.000 1.270 335 L HN 0.666 nan 8.230 nan 0.000 0.415 336 W N 3.288 124.669 121.300 0.136 0.000 2.839 336 W HA 0.704 5.364 4.660 0.000 0.000 0.334 336 W C -0.114 176.166 176.519 -0.399 0.000 1.064 336 W CA 0.002 57.270 57.345 -0.128 0.000 1.236 336 W CB 2.057 31.491 29.460 -0.043 0.000 1.405 336 W HN 0.616 nan 8.180 nan 0.000 0.478 337 G N 3.264 111.310 108.800 -1.258 0.000 2.393 337 G HA2 0.425 4.385 3.960 -0.000 0.000 0.264 337 G HA3 0.425 4.385 3.960 -0.000 0.000 0.264 337 G C -2.072 172.281 174.900 -0.911 0.000 1.221 337 G CA -0.993 43.597 45.100 -0.849 0.000 0.912 337 G HN 0.484 nan 8.290 nan 0.000 0.483 338 M N 0.024 119.610 119.600 -0.025 0.000 2.464 338 M HA 0.778 5.258 4.480 -0.000 0.000 0.308 338 M C -2.019 174.654 176.300 0.622 0.000 1.127 338 M CA -1.144 54.303 55.300 0.245 0.000 0.913 338 M CB 2.003 34.679 32.600 0.126 0.000 1.689 338 M HN 0.655 nan 8.290 nan 0.000 0.445 339 Y N 5.406 126.001 120.300 0.492 0.000 2.328 339 Y HA 0.767 5.317 4.550 -0.000 0.000 0.333 339 Y C -1.722 174.345 175.900 0.279 0.000 0.958 339 Y CA -1.346 56.994 58.100 0.400 0.000 1.167 339 Y CB 0.866 39.626 38.460 0.499 0.000 1.151 339 Y HN 0.680 nan 8.280 nan 0.000 0.470 340 I N 6.669 127.076 120.570 -0.271 0.000 2.474 340 I HA 0.530 4.700 4.170 -0.000 0.000 0.294 340 I C -1.057 174.772 176.117 -0.482 0.000 1.005 340 I CA -1.235 59.904 61.300 -0.269 0.000 1.113 340 I CB 1.968 39.908 38.000 -0.100 0.000 1.289 340 I HN 0.284 nan 8.210 nan 0.000 0.436 341 V N 4.179 123.871 119.914 -0.371 0.000 2.444 341 V HA 0.506 4.626 4.120 -0.000 0.000 0.294 341 V C 0.156 176.122 176.094 -0.214 0.000 1.022 341 V CA -0.389 61.678 62.300 -0.389 0.000 0.850 341 V CB 1.744 33.386 31.823 -0.302 0.000 0.992 341 V HN 0.930 nan 8.190 nan 0.000 0.426 342 T N -0.020 114.419 114.554 -0.191 0.000 2.940 342 T HA 0.477 4.827 4.350 -0.000 0.000 0.288 342 T C -0.679 174.067 174.700 0.077 0.000 1.045 342 T CA -0.758 61.337 62.100 -0.008 0.000 1.018 342 T CB 2.098 70.976 68.868 0.016 0.000 1.151 342 T HN 0.532 nan 8.240 nan 0.000 0.529 343 D N 0.567 121.171 120.400 0.340 0.000 2.325 343 D HA 0.198 4.838 4.640 -0.000 0.000 0.251 343 D C 0.988 177.295 176.300 0.012 0.000 1.196 343 D CA -0.195 53.853 54.000 0.080 0.000 0.866 343 D CB 1.293 42.038 40.800 -0.092 0.000 1.101 343 D HN 0.534 nan 8.370 nan 0.000 0.476 344 S N 3.564 119.254 115.700 -0.017 0.000 2.420 344 S HA -0.147 4.323 4.470 -0.000 0.000 0.237 344 S C 1.329 175.907 174.600 -0.037 0.000 1.023 344 S CA 0.885 59.070 58.200 -0.025 0.000 0.991 344 S CB 0.071 63.254 63.200 -0.027 0.000 0.792 344 S HN 0.584 nan 8.310 nan 0.000 0.488 345 N N 0.065 118.730 118.700 -0.058 0.000 2.368 345 N HA 0.103 4.843 4.740 -0.000 0.000 0.178 345 N C 1.330 176.779 175.510 -0.102 0.000 1.076 345 N CA 0.461 53.470 53.050 -0.067 0.000 0.889 345 N CB 0.110 38.562 38.487 -0.058 0.000 1.040 345 N HN 0.240 nan 8.380 nan 0.000 0.463 346 E N -0.231 119.858 120.200 -0.185 0.000 2.447 346 E HA 0.154 4.504 4.350 -0.000 0.000 0.204 346 E C -0.511 175.904 176.600 -0.309 0.000 0.977 346 E CA 0.289 56.519 56.400 -0.283 0.000 0.950 346 E CB 0.320 29.770 29.700 -0.418 0.000 0.975 346 E HN 0.400 nan 8.360 nan 0.000 0.496 347 H N -0.350 118.708 119.070 -0.021 0.000 2.469 347 H HA 0.358 4.914 4.556 0.000 0.000 0.342 347 H C -0.573 174.734 175.328 -0.035 0.000 1.115 347 H CA -0.999 55.035 56.048 -0.023 0.000 1.204 347 H CB 1.026 30.777 29.762 -0.018 0.000 1.492 347 H HN -0.142 nan 8.280 nan 0.000 0.499 348 N N 3.189 121.953 118.700 0.107 0.000 2.469 348 N HA 0.003 4.743 4.740 -0.000 0.000 0.239 348 N C 0.695 176.205 175.510 -0.001 0.000 1.053 348 N CA -0.054 53.009 53.050 0.023 0.000 0.937 348 N CB 0.809 39.296 38.487 0.001 0.000 1.163 348 N HN 0.416 nan 8.380 nan 0.000 0.509 349 V N 4.540 124.443 119.914 -0.017 0.000 2.324 349 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 349 V C 2.509 178.557 176.094 -0.076 0.000 1.060 349 V CA 2.035 64.308 62.300 -0.045 0.000 1.042 349 V CB -0.619 31.183 31.823 -0.035 0.000 0.650 349 V HN 0.724 nan 8.190 nan 0.000 0.450 350 R N -0.043 120.396 120.500 -0.101 0.000 2.139 350 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 350 R C 2.149 178.394 176.300 -0.091 0.000 1.145 350 R CA 1.636 57.646 56.100 -0.150 0.000 0.976 350 R CB -0.272 29.901 30.300 -0.211 0.000 0.866 350 R HN 0.504 nan 8.270 nan 0.000 0.449 351 L N 0.006 121.188 121.223 -0.068 0.000 2.044 351 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 351 L C 2.476 179.294 176.870 -0.087 0.000 1.075 351 L CA 0.585 55.390 54.840 -0.057 0.000 0.747 351 L CB -0.456 41.579 42.059 -0.040 0.000 0.903 351 L HN 0.243 nan 8.230 nan 0.000 0.435 352 I N -0.409 120.097 120.570 -0.106 0.000 2.394 352 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 352 I C 2.197 178.213 176.117 -0.169 0.000 1.136 352 I CA 1.318 62.531 61.300 -0.146 0.000 1.425 352 I CB -0.099 37.815 38.000 -0.142 0.000 1.079 352 I HN -0.114 nan 8.210 nan 0.000 0.425 353 V N 1.459 121.293 119.914 -0.132 0.000 2.427 353 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 353 V C 2.357 178.374 176.094 -0.127 0.000 1.051 353 V CA 1.931 64.149 62.300 -0.136 0.000 1.048 353 V CB -1.047 30.734 31.823 -0.071 0.000 0.666 353 V HN 0.476 nan 8.190 nan 0.000 0.456 354 N N 0.061 118.722 118.700 -0.066 0.000 2.104 354 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 354 N C 1.826 177.264 175.510 -0.121 0.000 1.024 354 N CA 1.356 54.382 53.050 -0.041 0.000 0.853 354 N CB -0.187 38.297 38.487 -0.005 0.000 1.008 354 N HN 0.491 nan 8.380 nan 0.000 0.424 355 E N 1.067 121.168 120.200 -0.164 0.000 2.072 355 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 355 E C 2.249 178.661 176.600 -0.314 0.000 0.985 355 E CA 0.352 56.626 56.400 -0.209 0.000 0.801 355 E CB -0.253 29.317 29.700 -0.218 0.000 0.750 355 E HN 0.451 nan 8.360 nan 0.000 0.452 356 I N 0.922 121.237 120.570 -0.424 0.000 2.226 356 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 356 I C 2.418 178.073 176.117 -0.770 0.000 1.100 356 I CA 0.872 61.767 61.300 -0.674 0.000 1.374 356 I CB -0.282 37.262 38.000 -0.760 0.000 1.057 356 I HN 0.047 nan 8.210 nan 0.000 0.413 357 L N 0.568 121.488 121.223 -0.504 0.000 2.093 357 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 357 L C 2.614 179.408 176.870 -0.127 0.000 1.085 357 L CA 1.335 56.002 54.840 -0.288 0.000 0.755 357 L CB -0.641 41.348 42.059 -0.117 0.000 0.904 357 L HN 0.245 nan 8.230 nan 0.000 0.435 358 K N 0.485 120.800 120.400 -0.141 0.000 2.147 358 K HA -0.252 4.068 4.320 -0.000 0.000 0.205 358 K C 2.028 178.599 176.600 -0.049 0.000 1.049 358 K CA 1.577 57.819 56.287 -0.075 0.000 0.936 358 K CB 0.151 32.600 32.500 -0.085 0.000 0.722 358 K HN 0.110 nan 8.250 nan 0.000 0.446 359 E N -0.138 119.994 120.200 -0.113 0.000 2.072 359 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 359 E C 1.507 178.203 176.600 0.161 0.000 0.982 359 E CA 1.290 57.668 56.400 -0.036 0.000 0.803 359 E CB -0.192 29.425 29.700 -0.139 0.000 0.755 359 E HN 0.341 nan 8.360 nan 0.000 0.453 360 W N 1.276 122.585 121.300 0.016 0.000 2.358 360 W HA -0.020 4.640 4.660 0.000 0.000 0.303 360 W C 1.933 178.463 176.519 0.020 0.000 1.208 360 W CA 1.013 58.390 57.345 0.053 0.000 1.274 360 W CB -0.725 28.777 29.460 0.070 0.000 1.138 360 W HN 0.176 nan 8.180 nan 0.000 0.515 361 K N -0.067 120.467 120.400 0.223 0.000 2.211 361 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 361 K C 2.095 178.745 176.600 0.082 0.000 1.050 361 K CA 1.132 57.489 56.287 0.115 0.000 0.945 361 K CB -0.276 32.262 32.500 0.063 0.000 0.732 361 K HN 0.031 nan 8.250 nan 0.000 0.451 362 R N 1.274 121.825 120.500 0.085 0.000 2.092 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 362 R C 2.069 178.413 176.300 0.073 0.000 1.119 362 R CA 1.110 57.247 56.100 0.061 0.000 0.970 362 R CB -0.100 30.230 30.300 0.050 0.000 0.864 362 R HN 0.131 nan 8.270 nan 0.000 0.440 363 I N 0.749 121.385 120.570 0.110 0.000 2.202 363 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 363 I C 2.196 178.357 176.117 0.072 0.000 1.091 363 I CA 1.320 62.683 61.300 0.104 0.000 1.368 363 I CB -0.244 37.846 38.000 0.150 0.000 1.058 363 I HN 0.154 nan 8.210 nan 0.000 0.410 364 K N 0.669 121.109 120.400 0.067 0.000 2.147 364 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 364 K C 2.056 178.670 176.600 0.023 0.000 1.049 364 K CA 1.772 58.077 56.287 0.030 0.000 0.936 364 K CB -0.160 32.349 32.500 0.015 0.000 0.722 364 K HN 0.382 nan 8.250 nan 0.000 0.446 365 S N -0.880 114.837 115.700 0.030 0.000 2.593 365 S HA 0.095 4.565 4.470 -0.000 0.000 0.217 365 S C 1.349 175.962 174.600 0.020 0.000 0.966 365 S CA 0.470 58.681 58.200 0.020 0.000 0.914 365 S CB 0.352 63.563 63.200 0.018 0.000 0.776 365 S HN 0.433 nan 8.310 nan 0.000 0.523 366 G N 1.053 109.869 108.800 0.028 0.000 2.184 366 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 366 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 366 G C 0.224 175.139 174.900 0.025 0.000 0.975 366 G CA 0.314 45.429 45.100 0.026 0.000 0.642 366 G HN 0.510 nan 8.290 nan 0.000 0.536 367 K N 1.165 121.581 120.400 0.027 0.000 2.715 367 K HA 0.468 4.788 4.320 -0.000 0.000 0.248 367 K C 0.783 177.400 176.600 0.029 0.000 1.276 367 K CA 0.271 56.572 56.287 0.024 0.000 1.209 367 K CB -0.711 31.801 32.500 0.020 0.000 1.509 367 K HN 0.735 nan 8.250 nan 0.000 0.261 368 I N -2.566 118.021 120.570 0.029 0.000 2.647 368 I HA 0.499 4.669 4.170 -0.000 0.000 0.295 368 I C 0.027 176.159 176.117 0.025 0.000 1.078 368 I CA -1.154 60.165 61.300 0.032 0.000 1.048 368 I CB 2.253 40.279 38.000 0.042 0.000 1.239 368 I HN 0.032 nan 8.210 nan 0.000 0.421 369 S N 1.969 117.683 115.700 0.023 0.000 2.632 369 S HA 0.264 4.734 4.470 -0.000 0.000 0.267 369 S C 0.363 174.972 174.600 0.016 0.000 1.276 369 S CA -0.357 57.854 58.200 0.018 0.000 0.998 369 S CB 1.472 64.683 63.200 0.017 0.000 0.953 369 S HN 0.700 nan 8.310 nan 0.000 0.547 370 D N 1.391 121.798 120.400 0.012 0.000 2.117 370 D HA -0.027 4.613 4.640 -0.000 0.000 0.197 370 D C 2.219 178.524 176.300 0.009 0.000 0.987 370 D CA 1.802 55.808 54.000 0.009 0.000 0.829 370 D CB -0.913 39.892 40.800 0.007 0.000 0.961 370 D HN 0.695 nan 8.370 nan 0.000 0.460 371 A N 1.467 124.294 122.820 0.012 0.000 1.883 371 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 371 A C 2.046 179.639 177.584 0.015 0.000 1.186 371 A CA 2.080 54.125 52.037 0.013 0.000 0.624 371 A CB -0.724 18.285 19.000 0.015 0.000 0.822 371 A HN 0.477 nan 8.150 nan 0.000 0.444 372 E N -0.446 119.766 120.200 0.019 0.000 2.274 372 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 372 E C 1.649 178.261 176.600 0.020 0.000 0.996 372 E CA 1.147 57.562 56.400 0.025 0.000 0.840 372 E CB -0.424 29.296 29.700 0.034 0.000 0.772 372 E HN 0.303 nan 8.360 nan 0.000 0.491 373 V N 1.993 121.915 119.914 0.013 0.000 2.307 373 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 373 V C 1.794 177.883 176.094 -0.008 0.000 1.045 373 V CA 2.263 64.566 62.300 0.004 0.000 1.024 373 V CB -0.717 31.107 31.823 0.002 0.000 0.651 373 V HN 0.330 nan 8.190 nan 0.000 0.449 374 N N -0.561 118.136 118.700 -0.006 0.000 2.244 374 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 374 N C 2.082 177.585 175.510 -0.011 0.000 1.016 374 N CA 0.697 53.739 53.050 -0.014 0.000 0.866 374 N CB -0.122 38.361 38.487 -0.006 0.000 0.980 374 N HN 0.288 nan 8.380 nan 0.000 0.430 375 R N 1.130 121.631 120.500 0.001 0.000 2.070 375 R HA -0.067 4.273 4.340 -0.000 0.000 0.233 375 R C 2.119 178.421 176.300 0.003 0.000 1.137 375 R CA 1.442 57.546 56.100 0.007 0.000 0.945 375 R CB -0.336 29.975 30.300 0.018 0.000 0.845 375 R HN 0.199 nan 8.270 nan 0.000 0.430 376 A N 1.609 124.431 122.820 0.003 0.000 1.908 376 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 376 A C 2.045 179.616 177.584 -0.023 0.000 1.181 376 A CA 1.695 53.731 52.037 -0.001 0.000 0.627 376 A CB -0.350 18.651 19.000 0.002 0.000 0.818 376 A HN 0.341 nan 8.150 nan 0.000 0.445 377 K N -0.343 120.033 120.400 -0.039 0.000 2.097 377 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 377 K C 2.308 178.861 176.600 -0.078 0.000 1.049 377 K CA 1.094 57.337 56.287 -0.074 0.000 0.933 377 K CB -0.344 32.097 32.500 -0.098 0.000 0.717 377 K HN 0.445 nan 8.250 nan 0.000 0.442 378 A N 1.715 124.506 122.820 -0.049 0.000 1.898 378 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 378 A C 2.213 179.789 177.584 -0.013 0.000 1.181 378 A CA 1.380 53.398 52.037 -0.031 0.000 0.620 378 A CB -0.512 18.484 19.000 -0.007 0.000 0.819 378 A HN 0.346 nan 8.150 nan 0.000 0.442 379 Q N -0.870 118.926 119.800 -0.005 0.000 2.061 379 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 379 Q C 2.041 178.044 176.000 0.005 0.000 0.984 379 Q CA 1.840 57.647 55.803 0.006 0.000 0.846 379 Q CB -0.260 28.485 28.738 0.012 0.000 0.902 379 Q HN 0.521 nan 8.270 nan 0.000 0.421 380 L N 1.279 122.498 121.223 -0.007 0.000 2.012 380 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 380 L C 2.048 178.920 176.870 0.004 0.000 1.073 380 L CA 1.929 56.770 54.840 0.002 0.000 0.748 380 L CB -0.407 41.646 42.059 -0.011 0.000 0.891 380 L HN 0.094 nan 8.230 nan 0.000 0.431 381 K N -0.707 119.669 120.400 -0.041 0.000 2.063 381 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 381 K C 2.069 178.688 176.600 0.031 0.000 1.048 381 K CA 1.431 57.691 56.287 -0.045 0.000 0.928 381 K CB -0.397 32.031 32.500 -0.119 0.000 0.713 381 K HN 0.506 nan 8.250 nan 0.000 0.442 382 A N 1.357 124.195 122.820 0.031 0.000 1.873 382 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 382 A C 2.363 179.974 177.584 0.045 0.000 1.186 382 A CA 1.782 53.846 52.037 0.044 0.000 0.616 382 A CB -0.697 18.324 19.000 0.034 0.000 0.823 382 A HN 0.334 nan 8.150 nan 0.000 0.442 383 A N -0.397 122.449 122.820 0.042 0.000 1.933 383 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 383 A C 2.105 179.729 177.584 0.066 0.000 1.175 383 A CA 1.545 53.611 52.037 0.048 0.000 0.628 383 A CB -0.518 18.509 19.000 0.044 0.000 0.814 383 A HN 0.476 nan 8.150 nan 0.000 0.444 384 L N -1.531 119.742 121.223 0.084 0.000 2.270 384 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 384 L C 2.121 179.047 176.870 0.094 0.000 1.104 384 L CA 0.497 55.405 54.840 0.113 0.000 0.804 384 L CB -0.178 41.980 42.059 0.165 0.000 0.937 384 L HN 0.314 nan 8.230 nan 0.000 0.450 385 L N -1.539 119.735 121.223 0.084 0.000 2.526 385 L HA 0.084 4.424 4.340 -0.000 0.000 0.210 385 L C 2.072 178.977 176.870 0.059 0.000 1.048 385 L CA 0.112 55.001 54.840 0.081 0.000 0.852 385 L CB -0.086 42.045 42.059 0.119 0.000 1.128 385 L HN 0.078 nan 8.230 nan 0.000 0.482 386 L N 0.235 121.492 121.223 0.056 0.000 2.376 386 L HA -0.075 4.265 4.340 -0.000 0.000 0.219 386 L C 2.557 179.444 176.870 0.028 0.000 1.133 386 L CA 1.122 55.986 54.840 0.039 0.000 0.816 386 L CB -0.517 41.565 42.059 0.038 0.000 0.933 386 L HN 0.360 nan 8.230 nan 0.000 0.449 387 S N -0.419 115.300 115.700 0.032 0.000 2.489 387 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 387 S C 1.171 175.782 174.600 0.018 0.000 0.995 387 S CA 0.083 58.298 58.200 0.024 0.000 0.934 387 S CB -0.384 62.833 63.200 0.029 0.000 0.771 387 S HN 0.334 nan 8.310 nan 0.000 0.522 388 L N 2.533 123.770 121.223 0.022 0.000 2.416 388 L HA 0.228 4.568 4.340 -0.000 0.000 0.243 388 L C 1.096 177.968 176.870 0.005 0.000 1.373 388 L CA -0.249 54.599 54.840 0.013 0.000 1.227 388 L CB -0.243 41.826 42.059 0.018 0.000 1.428 388 L HN 0.211 nan 8.230 nan 0.000 0.425 389 D N 0.973 121.374 120.400 0.001 0.000 2.429 389 D HA 0.058 4.698 4.640 -0.000 0.000 0.242 389 D C 1.151 177.446 176.300 -0.009 0.000 1.076 389 D CA 0.742 54.740 54.000 -0.004 0.000 0.955 389 D CB 0.320 41.119 40.800 -0.002 0.000 1.076 389 D HN 0.327 nan 8.370 nan 0.000 0.448 390 G N -0.409 108.387 108.800 -0.007 0.000 2.588 390 G HA2 0.272 4.232 3.960 -0.000 0.000 0.278 390 G HA3 0.272 4.232 3.960 -0.000 0.000 0.278 390 G C 1.138 176.036 174.900 -0.004 0.000 1.307 390 G CA 0.600 45.697 45.100 -0.006 0.000 1.016 390 G HN 0.267 nan 8.290 nan 0.000 0.503 391 S N -1.229 114.473 115.700 0.004 0.000 2.382 391 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 391 S C 2.142 176.757 174.600 0.025 0.000 1.027 391 S CA 2.070 60.278 58.200 0.014 0.000 0.991 391 S CB -0.747 62.470 63.200 0.029 0.000 0.823 391 S HN 0.498 nan 8.310 nan 0.000 0.469 392 T N 2.893 117.463 114.554 0.027 0.000 2.674 392 T HA 0.029 4.379 4.350 -0.000 0.000 0.265 392 T C 2.239 176.924 174.700 -0.024 0.000 1.039 392 T CA 1.570 63.675 62.100 0.008 0.000 1.150 392 T CB -0.904 67.978 68.868 0.023 0.000 0.864 392 T HN 0.644 nan 8.240 nan 0.000 0.427 393 A N 0.752 123.562 122.820 -0.016 0.000 1.972 393 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 393 A C 2.283 179.860 177.584 -0.011 0.000 1.169 393 A CA 1.111 53.138 52.037 -0.016 0.000 0.635 393 A CB -0.728 18.267 19.000 -0.009 0.000 0.810 393 A HN 0.540 nan 8.150 nan 0.000 0.446 394 I N -0.839 119.726 120.570 -0.008 0.000 2.286 394 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 394 I C 2.310 178.413 176.117 -0.023 0.000 1.104 394 I CA 0.795 62.087 61.300 -0.015 0.000 1.397 394 I CB -0.250 37.742 38.000 -0.013 0.000 1.072 394 I HN 0.135 nan 8.210 nan 0.000 0.417 395 V N 1.043 120.959 119.914 0.004 0.000 2.343 395 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 395 V C 2.572 178.681 176.094 0.025 0.000 1.051 395 V CA 2.215 64.530 62.300 0.026 0.000 1.036 395 V CB -0.623 31.269 31.823 0.115 0.000 0.654 395 V HN 0.468 nan 8.190 nan 0.000 0.451 396 E N 1.068 121.310 120.200 0.071 0.000 2.070 396 E HA -0.291 4.059 4.350 -0.000 0.000 0.197 396 E C 1.794 178.384 176.600 -0.018 0.000 1.004 396 E CA 2.264 58.738 56.400 0.123 0.000 0.805 396 E CB -0.555 29.170 29.700 0.041 0.000 0.744 396 E HN 0.670 nan 8.360 nan 0.000 0.451 397 D N -0.751 119.611 120.400 -0.063 0.000 2.123 397 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 397 D C 2.021 178.206 176.300 -0.192 0.000 0.976 397 D CA 1.503 55.440 54.000 -0.105 0.000 0.831 397 D CB -0.145 40.624 40.800 -0.052 0.000 0.974 397 D HN 0.348 nan 8.370 nan 0.000 0.469 398 I N 0.362 120.809 120.570 -0.205 0.000 2.076 398 I HA -0.161 4.009 4.170 -0.000 0.000 0.237 398 I C 2.580 178.412 176.117 -0.475 0.000 1.059 398 I CA 1.444 62.584 61.300 -0.265 0.000 1.317 398 I CB -0.855 37.020 38.000 -0.209 0.000 1.037 398 I HN 0.153 nan 8.210 nan 0.000 0.398 399 G N 0.556 108.835 108.800 -0.868 0.000 2.491 399 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 399 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 399 G C 1.816 176.095 174.900 -1.035 0.000 1.180 399 G CA 0.754 44.779 45.100 -1.793 0.000 0.774 399 G HN 0.233 nan 8.290 nan 0.000 0.562 400 R N 0.204 120.348 120.500 -0.595 0.000 2.081 400 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 400 R C 2.664 178.709 176.300 -0.425 0.000 1.131 400 R CA 1.670 57.591 56.100 -0.298 0.000 0.960 400 R CB -0.406 29.770 30.300 -0.207 0.000 0.856 400 R HN 0.487 nan 8.270 nan 0.000 0.436 401 Q N -0.346 119.211 119.800 -0.406 0.000 2.079 401 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 401 Q C 2.155 177.993 176.000 -0.271 0.000 0.974 401 Q CA 1.521 57.108 55.803 -0.360 0.000 0.840 401 Q CB 0.155 28.742 28.738 -0.252 0.000 0.898 401 Q HN 0.188 nan 8.270 nan 0.000 0.430 402 V N -0.051 119.707 119.914 -0.261 0.000 2.379 402 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 402 V C 2.094 178.094 176.094 -0.157 0.000 1.044 402 V CA 1.229 63.415 62.300 -0.190 0.000 1.036 402 V CB -0.219 31.488 31.823 -0.192 0.000 0.664 402 V HN 0.201 nan 8.190 nan 0.000 0.453 403 V N 0.936 120.745 119.914 -0.176 0.000 2.759 403 V HA -0.162 3.958 4.120 -0.000 0.000 0.256 403 V C 2.407 178.466 176.094 -0.058 0.000 1.080 403 V CA 2.457 64.708 62.300 -0.081 0.000 1.101 403 V CB -0.154 31.667 31.823 -0.004 0.000 0.698 403 V HN 0.854 nan 8.190 nan 0.000 0.477 404 T N -6.358 108.119 114.554 -0.129 0.000 3.001 404 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 404 T C 1.428 176.097 174.700 -0.052 0.000 1.040 404 T CA 0.951 62.998 62.100 -0.090 0.000 0.985 404 T CB 0.605 69.300 68.868 -0.288 0.000 1.011 404 T HN 0.324 nan 8.240 nan 0.000 0.509 405 T N -0.384 114.112 114.554 -0.096 0.000 2.992 405 T HA 0.481 4.831 4.350 -0.000 0.000 0.255 405 T C 1.439 176.115 174.700 -0.040 0.000 0.938 405 T CA 0.592 62.660 62.100 -0.053 0.000 0.895 405 T CB 0.176 68.987 68.868 -0.094 0.000 1.221 405 T HN 0.641 nan 8.240 nan 0.000 0.512 406 G N 2.631 111.396 108.800 -0.059 0.000 2.175 406 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 406 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 406 G C 0.006 174.876 174.900 -0.050 0.000 0.982 406 G CA 0.686 45.760 45.100 -0.045 0.000 0.641 406 G HN 0.739 nan 8.290 nan 0.000 0.527 407 K N -1.804 118.557 120.400 -0.065 0.000 2.578 407 K HA 0.788 5.108 4.320 -0.000 0.000 0.287 407 K C -1.090 175.463 176.600 -0.079 0.000 1.010 407 K CA -1.355 54.897 56.287 -0.059 0.000 0.889 407 K CB 1.402 33.883 32.500 -0.032 0.000 1.514 407 K HN 0.045 nan 8.250 nan 0.000 0.424 408 R N 1.998 122.458 120.500 -0.067 0.000 2.388 408 R HA 0.357 4.697 4.340 -0.000 0.000 0.314 408 R C -0.959 175.323 176.300 -0.030 0.000 0.959 408 R CA -0.633 55.426 56.100 -0.069 0.000 0.851 408 R CB 0.757 31.007 30.300 -0.083 0.000 1.168 408 R HN 0.706 nan 8.270 nan 0.000 0.472 409 L N 3.221 124.443 121.223 -0.001 0.000 2.410 409 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 409 L C 1.187 178.069 176.870 0.020 0.000 1.152 409 L CA 0.104 54.963 54.840 0.031 0.000 0.855 409 L CB 0.911 43.026 42.059 0.092 0.000 1.129 409 L HN 0.659 nan 8.230 nan 0.000 0.463 410 S N 2.979 118.686 115.700 0.012 0.000 2.608 410 S HA 0.248 4.718 4.470 -0.000 0.000 0.261 410 S C -1.836 172.778 174.600 0.023 0.000 1.314 410 S CA -1.114 57.090 58.200 0.007 0.000 0.992 410 S CB 1.003 64.201 63.200 -0.002 0.000 0.935 410 S HN 0.402 nan 8.310 nan 0.000 0.564 411 P HA -0.088 nan 4.420 nan 0.000 0.216 411 P C 1.068 178.405 177.300 0.062 0.000 1.153 411 P CA 1.326 64.452 63.100 0.043 0.000 0.858 411 P CB -0.022 31.693 31.700 0.025 0.000 0.789 412 E N -0.319 119.896 120.200 0.027 0.000 2.110 412 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 412 E C 1.912 178.551 176.600 0.064 0.000 0.988 412 E CA 1.168 57.582 56.400 0.024 0.000 0.804 412 E CB -0.785 28.900 29.700 -0.025 0.000 0.745 412 E HN 0.429 nan 8.360 nan 0.000 0.458 413 E N -0.016 120.203 120.200 0.032 0.000 2.106 413 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 413 E C 2.023 178.606 176.600 -0.029 0.000 0.984 413 E CA 0.988 57.396 56.400 0.015 0.000 0.806 413 E CB 0.055 29.764 29.700 0.014 0.000 0.750 413 E HN 0.068 nan 8.360 nan 0.000 0.458 414 V N 1.056 120.954 119.914 -0.025 0.000 2.358 414 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 414 V C 1.959 177.934 176.094 -0.199 0.000 1.047 414 V CA 1.578 63.782 62.300 -0.160 0.000 1.035 414 V CB -0.489 31.328 31.823 -0.011 0.000 0.658 414 V HN 0.231 nan 8.190 nan 0.000 0.452 415 F N 1.587 121.446 119.950 -0.151 0.000 2.065 415 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 415 F C 2.479 178.191 175.800 -0.148 0.000 1.112 415 F CA 2.446 60.372 58.000 -0.124 0.000 1.212 415 F CB -0.226 38.730 39.000 -0.072 0.000 0.975 415 F HN 0.180 nan 8.300 nan 0.000 0.476 416 E N 0.167 120.439 120.200 0.121 0.000 2.085 416 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 416 E C 2.107 178.616 176.600 -0.151 0.000 0.994 416 E CA 1.573 57.991 56.400 0.029 0.000 0.801 416 E CB -0.442 29.293 29.700 0.058 0.000 0.743 416 E HN 0.395 nan 8.360 nan 0.000 0.453 417 Q N -0.334 119.304 119.800 -0.271 0.000 2.234 417 Q HA -0.083 4.257 4.340 -0.000 0.000 0.206 417 Q C 2.239 177.995 176.000 -0.407 0.000 0.980 417 Q CA 1.186 56.760 55.803 -0.382 0.000 0.869 417 Q CB -0.188 28.083 28.738 -0.779 0.000 0.912 417 Q HN 0.290 nan 8.270 nan 0.000 0.436 418 V N 0.295 119.927 119.914 -0.470 0.000 2.426 418 V HA -0.151 3.969 4.120 -0.000 0.000 0.242 418 V C 1.868 177.782 176.094 -0.300 0.000 1.036 418 V CA 1.539 63.628 62.300 -0.352 0.000 1.044 418 V CB -0.472 31.132 31.823 -0.365 0.000 0.688 418 V HN 0.231 nan 8.190 nan 0.000 0.462 419 D N 0.976 121.134 120.400 -0.402 0.000 2.190 419 D HA -0.237 4.403 4.640 -0.000 0.000 0.200 419 D C 2.110 178.323 176.300 -0.146 0.000 0.992 419 D CA 1.446 55.261 54.000 -0.309 0.000 0.854 419 D CB -0.050 40.564 40.800 -0.309 0.000 0.936 419 D HN 0.614 nan 8.370 nan 0.000 0.462 420 K N -0.036 120.295 120.400 -0.116 0.000 2.418 420 K HA 0.016 4.336 4.320 -0.000 0.000 0.195 420 K C 0.624 177.193 176.600 -0.051 0.000 1.035 420 K CA 0.006 56.257 56.287 -0.061 0.000 1.003 420 K CB -0.038 32.438 32.500 -0.040 0.000 0.793 420 K HN 0.166 nan 8.250 nan 0.000 0.494 421 I N 3.661 124.191 120.570 -0.068 0.000 2.710 421 I HA -0.086 4.084 4.170 -0.000 0.000 0.286 421 I C 0.657 176.752 176.117 -0.037 0.000 1.181 421 I CA 0.271 61.543 61.300 -0.047 0.000 1.430 421 I CB 0.636 38.601 38.000 -0.058 0.000 1.367 421 I HN 0.311 nan 8.210 nan 0.000 0.577 422 T N 2.078 116.620 114.554 -0.021 0.000 2.940 422 T HA 0.280 4.630 4.350 -0.000 0.000 0.288 422 T C 0.735 175.432 174.700 -0.006 0.000 1.045 422 T CA -0.984 61.109 62.100 -0.012 0.000 1.018 422 T CB 2.085 70.951 68.868 -0.005 0.000 1.151 422 T HN 0.626 nan 8.240 nan 0.000 0.529 423 K N 0.144 120.543 120.400 -0.000 0.000 2.063 423 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 423 K C 1.493 178.102 176.600 0.015 0.000 1.048 423 K CA 2.105 58.397 56.287 0.008 0.000 0.928 423 K CB -0.457 32.048 32.500 0.010 0.000 0.713 423 K HN 0.720 nan 8.250 nan 0.000 0.442 424 D N 0.733 121.141 120.400 0.013 0.000 2.117 424 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 424 D C 1.490 177.807 176.300 0.028 0.000 0.987 424 D CA 1.260 55.270 54.000 0.018 0.000 0.829 424 D CB 0.037 40.844 40.800 0.012 0.000 0.961 424 D HN 0.215 nan 8.370 nan 0.000 0.460 425 D N -0.218 120.196 120.400 0.024 0.000 2.123 425 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 425 D C 2.227 178.569 176.300 0.070 0.000 0.992 425 D CA 0.682 54.705 54.000 0.039 0.000 0.833 425 D CB -0.116 40.694 40.800 0.017 0.000 0.954 425 D HN 0.363 nan 8.370 nan 0.000 0.455 426 I N 0.786 121.381 120.570 0.042 0.000 2.202 426 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 426 I C 2.487 178.672 176.117 0.114 0.000 1.091 426 I CA 0.659 61.993 61.300 0.057 0.000 1.368 426 I CB -0.131 37.878 38.000 0.015 0.000 1.058 426 I HN -0.073 nan 8.210 nan 0.000 0.410 427 I N -0.143 120.471 120.570 0.073 0.000 2.163 427 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 427 I C 2.623 178.778 176.117 0.063 0.000 1.085 427 I CA 1.217 62.554 61.300 0.062 0.000 1.347 427 I CB -0.356 37.667 38.000 0.038 0.000 1.044 427 I HN 0.245 nan 8.210 nan 0.000 0.408 428 M N -0.454 119.186 119.600 0.066 0.000 2.073 428 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 428 M C 2.218 178.564 176.300 0.076 0.000 1.070 428 M CA 1.973 57.304 55.300 0.052 0.000 1.103 428 M CB -1.453 31.173 32.600 0.044 0.000 1.321 428 M HN 0.435 nan 8.290 nan 0.000 0.405 429 W N 0.707 121.964 121.300 -0.071 0.000 2.338 429 W HA -0.175 4.485 4.660 -0.000 0.000 0.304 429 W C 2.441 178.865 176.519 -0.159 0.000 1.212 429 W CA 2.675 59.962 57.345 -0.096 0.000 1.264 429 W CB -0.291 29.087 29.460 -0.138 0.000 1.142 429 W HN 0.281 nan 8.180 nan 0.000 0.512 430 A N 0.259 123.151 122.820 0.120 0.000 1.930 430 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 430 A C 1.865 179.291 177.584 -0.264 0.000 1.175 430 A CA 1.783 53.738 52.037 -0.137 0.000 0.627 430 A CB -1.004 18.002 19.000 0.010 0.000 0.815 430 A HN 0.439 nan 8.150 nan 0.000 0.443 431 N N -1.880 116.738 118.700 -0.136 0.000 2.381 431 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 431 N C 1.455 176.866 175.510 -0.166 0.000 1.025 431 N CA 1.450 54.426 53.050 -0.124 0.000 0.888 431 N CB -0.217 38.240 38.487 -0.051 0.000 0.965 431 N HN 0.729 nan 8.380 nan 0.000 0.438 432 Y N 1.472 121.555 120.300 -0.361 0.000 2.262 432 Y HA 0.132 4.682 4.550 0.000 0.000 0.295 432 Y C 2.005 177.586 175.900 -0.532 0.000 1.121 432 Y CA 1.039 58.903 58.100 -0.394 0.000 1.144 432 Y CB 0.103 38.327 38.460 -0.394 0.000 1.043 432 Y HN -0.183 nan 8.280 nan 0.000 0.528 433 R N 0.243 120.167 120.500 -0.960 0.000 2.246 433 R HA 0.194 4.534 4.340 -0.000 0.000 0.199 433 R C 0.958 176.737 176.300 -0.868 0.000 0.984 433 R CA 0.694 56.104 56.100 -1.149 0.000 1.015 433 R CB -0.045 29.235 30.300 -1.700 0.000 0.930 433 R HN 0.401 nan 8.270 nan 0.000 0.475 434 L N 0.323 121.137 121.223 -0.683 0.000 3.014 434 L HA 0.295 4.635 4.340 -0.000 0.000 0.263 434 L C -0.082 176.623 176.870 -0.274 0.000 1.207 434 L CA -0.225 54.336 54.840 -0.465 0.000 1.017 434 L CB 0.383 42.171 42.059 -0.452 0.000 1.360 434 L HN -0.123 nan 8.230 nan 0.000 0.560 435 Q N 1.067 120.689 119.800 -0.297 0.000 2.304 435 Q HA 0.339 4.679 4.340 -0.000 0.000 0.270 435 Q C -0.216 175.656 176.000 -0.213 0.000 1.035 435 Q CA -0.329 55.357 55.803 -0.196 0.000 0.781 435 Q CB 1.080 29.723 28.738 -0.158 0.000 1.261 435 Q HN 0.137 nan 8.270 nan 0.000 0.444 436 N N 2.646 121.255 118.700 -0.152 0.000 2.714 436 N HA -0.184 4.556 4.740 -0.000 0.000 0.252 436 N C -1.162 174.237 175.510 -0.185 0.000 1.014 436 N CA 0.975 53.943 53.050 -0.137 0.000 0.735 436 N CB -0.414 38.004 38.487 -0.116 0.000 0.924 436 N HN 0.513 nan 8.380 nan 0.000 0.540 437 K N 0.226 120.497 120.400 -0.215 0.000 2.328 437 K HA 0.521 4.841 4.320 -0.000 0.000 0.246 437 K C -2.198 174.288 176.600 -0.189 0.000 0.955 437 K CA -1.538 54.585 56.287 -0.274 0.000 0.817 437 K CB 2.038 34.279 32.500 -0.433 0.000 1.208 437 K HN -0.075 nan 8.250 nan 0.000 0.432 438 P HA 0.120 nan 4.420 nan 0.000 0.271 438 P C -0.386 176.940 177.300 0.044 0.000 1.218 438 P CA -0.417 62.682 63.100 -0.003 0.000 0.780 438 P CB 0.871 32.647 31.700 0.126 0.000 0.901 439 V N -0.252 119.777 119.914 0.193 0.000 2.823 439 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 439 V C -0.485 175.781 176.094 0.288 0.000 1.072 439 V CA -0.737 61.724 62.300 0.268 0.000 0.937 439 V CB 1.853 33.785 31.823 0.182 0.000 1.013 439 V HN 0.772 nan 8.190 nan 0.000 0.430 440 S N 5.785 121.658 115.700 0.287 0.000 2.568 440 S HA 0.886 5.356 4.470 -0.000 0.000 0.293 440 S C -0.708 173.926 174.600 0.056 0.000 1.089 440 S CA -0.759 57.476 58.200 0.058 0.000 0.945 440 S CB 2.047 65.141 63.200 -0.178 0.000 1.077 440 S HN 1.449 nan 8.310 nan 0.000 0.485 441 M N 2.268 121.842 119.600 -0.043 0.000 2.470 441 M HA 0.579 5.059 4.480 -0.000 0.000 0.285 441 M C -2.410 173.777 176.300 -0.188 0.000 1.213 441 M CA -0.588 54.669 55.300 -0.071 0.000 0.901 441 M CB 2.115 34.677 32.600 -0.064 0.000 1.718 441 M HN 0.690 nan 8.290 nan 0.000 0.469 442 V N 2.655 122.472 119.914 -0.162 0.000 2.709 442 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 442 V C -0.680 175.319 176.094 -0.158 0.000 1.062 442 V CA -0.688 61.491 62.300 -0.202 0.000 0.901 442 V CB 1.726 33.466 31.823 -0.139 0.000 1.003 442 V HN 0.945 nan 8.190 nan 0.000 0.425 443 A N 4.564 127.281 122.820 -0.171 0.000 2.359 443 A HA 0.906 5.226 4.320 -0.000 0.000 0.303 443 A C -1.466 176.115 177.584 -0.005 0.000 1.066 443 A CA -0.492 51.526 52.037 -0.032 0.000 0.730 443 A CB 1.487 20.535 19.000 0.080 0.000 1.211 443 A HN 0.938 nan 8.150 nan 0.000 0.439 444 L N 2.957 124.193 121.223 0.022 0.000 2.349 444 L HA 0.846 5.186 4.340 -0.000 0.000 0.278 444 L C 0.422 177.293 176.870 0.000 0.000 0.996 444 L CA 1.425 56.261 54.840 -0.008 0.000 0.825 444 L CB 1.356 43.395 42.059 -0.033 0.000 1.243 444 L HN 1.904 nan 8.230 nan 0.000 0.412 445 G N 3.894 112.676 108.800 -0.030 0.000 2.317 445 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.196 445 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.196 445 G C -0.870 174.018 174.900 -0.021 0.000 1.255 445 G CA -0.219 44.855 45.100 -0.042 0.000 1.243 445 G HN 0.864 nan 8.290 nan 0.000 0.535 446 N N 1.512 120.198 118.700 -0.022 0.000 2.466 446 N HA 0.330 5.070 4.740 -0.000 0.000 0.263 446 N C 1.380 176.882 175.510 -0.013 0.000 1.178 446 N CA 1.111 54.147 53.050 -0.023 0.000 0.983 446 N CB 0.841 39.312 38.487 -0.027 0.000 1.331 446 N HN 0.783 nan 8.380 nan 0.000 0.500 447 T N 0.434 114.982 114.554 -0.009 0.000 3.113 447 T HA -0.064 4.285 4.350 -0.000 0.000 0.256 447 T C 1.630 176.268 174.700 -0.104 0.000 1.131 447 T CA 1.220 63.320 62.100 0.000 0.000 1.074 447 T CB -0.153 68.741 68.868 0.044 0.000 0.944 447 T HN 0.478 nan 8.240 nan 0.000 0.516 448 S N -0.216 115.424 115.700 -0.099 0.000 2.447 448 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 448 S C 2.076 176.603 174.600 -0.122 0.000 1.006 448 S CA 1.494 59.617 58.200 -0.127 0.000 0.957 448 S CB -0.890 62.255 63.200 -0.090 0.000 0.773 448 S HN 0.524 nan 8.310 nan 0.000 0.507 449 T N 0.940 115.441 114.554 -0.088 0.000 3.060 449 T HA 0.290 4.640 4.350 -0.000 0.000 0.249 449 T C 0.206 174.854 174.700 -0.087 0.000 1.079 449 T CA -0.177 61.875 62.100 -0.081 0.000 1.013 449 T CB -0.328 68.511 68.868 -0.048 0.000 0.975 449 T HN 0.193 nan 8.240 nan 0.000 0.518 450 V N 5.621 125.498 119.914 -0.061 0.000 2.470 450 V HA 0.344 4.464 4.120 -0.000 0.000 0.276 450 V C -1.809 174.275 176.094 -0.017 0.000 1.040 450 V CA -1.727 60.581 62.300 0.015 0.000 1.008 450 V CB 0.782 32.730 31.823 0.208 0.000 0.990 450 V HN 0.405 nan 8.190 nan 0.000 0.477 451 P HA 0.118 nan 4.420 nan 0.000 0.276 451 P C -0.227 177.141 177.300 0.113 0.000 1.244 451 P CA -0.554 62.426 63.100 -0.199 0.000 0.801 451 P CB 0.739 32.037 31.700 -0.671 0.000 1.006 452 N N 0.511 119.300 118.700 0.147 0.000 2.381 452 N HA -0.028 4.712 4.740 -0.000 0.000 0.241 452 N C 1.248 176.915 175.510 0.261 0.000 1.279 452 N CA -0.024 53.202 53.050 0.292 0.000 0.896 452 N CB 0.790 39.410 38.487 0.221 0.000 1.118 452 N HN 0.007 nan 8.380 nan 0.000 0.438 453 V N 1.717 121.750 119.914 0.199 0.000 2.427 453 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 453 V C 2.339 178.522 176.094 0.148 0.000 1.051 453 V CA 2.198 64.584 62.300 0.143 0.000 1.048 453 V CB -0.670 31.204 31.823 0.085 0.000 0.666 453 V HN 0.872 nan 8.190 nan 0.000 0.456 454 S N -0.836 114.948 115.700 0.141 0.000 2.453 454 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 454 S C 1.942 176.603 174.600 0.103 0.000 1.005 454 S CA 1.364 59.624 58.200 0.101 0.000 0.949 454 S CB -0.674 62.575 63.200 0.082 0.000 0.774 454 S HN 0.658 nan 8.310 nan 0.000 0.510 455 Y N 2.364 122.693 120.300 0.049 0.000 2.133 455 Y HA 0.016 4.566 4.550 0.000 0.000 0.287 455 Y C 1.938 177.858 175.900 0.034 0.000 1.134 455 Y CA 1.334 59.456 58.100 0.037 0.000 1.133 455 Y CB -0.533 37.952 38.460 0.042 0.000 0.987 455 Y HN 0.215 nan 8.280 nan 0.000 0.502 456 I N 0.503 121.260 120.570 0.312 0.000 2.163 456 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 456 I C 2.295 178.456 176.117 0.072 0.000 1.085 456 I CA 2.036 63.461 61.300 0.209 0.000 1.347 456 I CB -0.484 37.641 38.000 0.208 0.000 1.044 456 I HN 0.343 nan 8.210 nan 0.000 0.408 457 E N 0.271 120.507 120.200 0.061 0.000 2.110 457 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 457 E C 2.045 178.626 176.600 -0.031 0.000 0.988 457 E CA 1.247 57.661 56.400 0.023 0.000 0.804 457 E CB -0.139 29.576 29.700 0.024 0.000 0.745 457 E HN 0.524 nan 8.360 nan 0.000 0.458 458 E N 1.166 121.320 120.200 -0.078 0.000 2.031 458 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 458 E C 1.869 178.381 176.600 -0.146 0.000 0.994 458 E CA 1.027 57.354 56.400 -0.122 0.000 0.800 458 E CB 0.230 29.825 29.700 -0.176 0.000 0.752 458 E HN -0.053 nan 8.360 nan 0.000 0.447 459 K N 0.485 120.751 120.400 -0.224 0.000 2.097 459 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 459 K C 2.209 178.768 176.600 -0.070 0.000 1.049 459 K CA 0.633 56.811 56.287 -0.181 0.000 0.933 459 K CB -0.541 31.819 32.500 -0.233 0.000 0.717 459 K HN 0.218 nan 8.250 nan 0.000 0.442 460 L N 2.075 123.284 121.223 -0.023 0.000 2.027 460 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 460 L C 1.453 178.328 176.870 0.009 0.000 1.074 460 L CA 1.775 56.639 54.840 0.040 0.000 0.745 460 L CB -0.592 41.529 42.059 0.104 0.000 0.898 460 L HN 0.114 nan 8.230 nan 0.000 0.433 461 N N -0.523 118.164 118.700 -0.021 0.000 2.409 461 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 461 N C 0.845 176.332 175.510 -0.039 0.000 1.032 461 N CA 0.196 53.223 53.050 -0.038 0.000 0.898 461 N CB -0.152 38.306 38.487 -0.048 0.000 0.971 461 N HN 0.560 nan 8.380 nan 0.000 0.441 462 Q N 0.000 119.773 119.800 -0.045 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 462 Q CB 0.000 28.698 28.738 -0.067 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481