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 2d6f_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDWEKVGLKM GLEIHQQLDT ESKLFCPCRT ELTDSEPDHD IVRNLRPTXX DATA SEQUENCE XXXXXXXXAF EEAMRKLHFH YENYHEETCL VEADEEPPHP LNPEALEIAV DATA SEQUENCE TIALLLNMRV VDEFHTMRKQ VIDGSNTGGF QRTGLVATDG HLETPQGTVK DATA SEQUENCE IENLCLEEDA ARRIRETGDG VVFRLDRLGI PLVEITTDPS MSDPQQLREV DATA SEQUENCE AYQIGQILRS TRVKRGLGTI RQDLNISIRD GARVEVKGVQ DLDLIPEIVE DATA SEQUENCE REVKRQLSLV EIRDTLQERG AVVEDKIFDV SEVFADTESR IISSAESVLA DATA SEQUENCE VKLRGFDGLI GVEIQPGRRL GTEMADYAKK RGVSGIFHTD ELPAYGITEE DATA SEQUENCE EVRGLRDAVG ASQGDAVVMV AHERVTAENA LREVIRRAEM AIQGVPEETR DATA SEQUENCE KALPDGNTQY LRPLPTSSRM YLETDIPLFR IEDDLLEGIR RNLPELPSEK DATA SEQUENCE KERIMRDYGL SEDLASQLVK RNLVDEFXXX XXXXXDTTVI ASLLAYTLRE DATA SEQUENCE LRR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.734 176.300 -0.944 0.000 1.140 1 M CA 0.000 54.812 55.300 -0.814 0.000 0.988 1 M CB 0.000 32.096 32.600 -0.839 0.000 1.302 2 D N 1.140 121.126 120.400 -0.691 0.000 2.982 2 D HA -0.228 4.412 4.640 -0.000 0.000 0.207 2 D C 0.392 176.497 176.300 -0.325 0.000 1.258 2 D CA 1.605 55.352 54.000 -0.422 0.000 0.758 2 D CB -0.359 40.313 40.800 -0.213 0.000 0.886 2 D HN 0.697 nan 8.370 nan 0.000 0.389 3 W N 1.111 122.415 121.300 0.007 0.000 2.304 3 W HA -0.211 4.449 4.660 -0.000 0.000 0.315 3 W C 2.470 178.994 176.519 0.008 0.000 1.233 3 W CA 0.473 57.823 57.345 0.008 0.000 1.261 3 W CB -0.252 29.213 29.460 0.009 0.000 1.150 3 W HN 0.285 nan 8.180 nan 0.000 0.494 4 E N 0.695 121.028 120.200 0.221 0.000 2.233 4 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 4 E C 1.869 178.523 176.600 0.090 0.000 1.004 4 E CA 1.234 57.713 56.400 0.131 0.000 0.819 4 E CB -0.172 29.578 29.700 0.084 0.000 0.738 4 E HN 0.259 nan 8.360 nan 0.000 0.478 5 K N -0.184 120.255 120.400 0.066 0.000 2.211 5 K HA 0.032 4.352 4.320 -0.000 0.000 0.201 5 K C 2.023 178.659 176.600 0.060 0.000 1.052 5 K CA 0.308 56.619 56.287 0.040 0.000 0.973 5 K CB 0.117 32.618 32.500 0.002 0.000 0.766 5 K HN 0.030 nan 8.250 nan 0.000 0.466 6 V N 0.369 120.343 119.914 0.100 0.000 3.217 6 V HA 0.001 4.121 4.120 -0.000 0.000 0.264 6 V C 1.047 177.211 176.094 0.116 0.000 1.135 6 V CA 0.980 63.352 62.300 0.120 0.000 1.142 6 V CB -0.755 31.189 31.823 0.202 0.000 0.754 6 V HN 0.535 nan 8.190 nan 0.000 0.484 7 G N 1.077 109.947 108.800 0.117 0.000 2.291 7 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.271 7 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.271 7 G C -0.301 174.649 174.900 0.083 0.000 1.099 7 G CA 0.266 45.419 45.100 0.087 0.000 0.919 7 G HN 0.461 nan 8.290 nan 0.000 0.496 8 L N 0.004 121.293 121.223 0.110 0.000 2.367 8 L HA 0.683 5.023 4.340 -0.000 0.000 0.275 8 L C 0.345 177.219 176.870 0.006 0.000 1.129 8 L CA 0.034 54.900 54.840 0.043 0.000 0.839 8 L CB 0.546 42.602 42.059 -0.005 0.000 1.133 8 L HN 0.190 nan 8.230 nan 0.000 0.453 9 K N 6.772 127.163 120.400 -0.015 0.000 2.450 9 K HA 0.509 4.829 4.320 -0.000 0.000 0.257 9 K C -1.101 175.474 176.600 -0.041 0.000 0.953 9 K CA -0.388 55.889 56.287 -0.017 0.000 0.844 9 K CB 1.648 34.148 32.500 -0.001 0.000 1.103 9 K HN 0.629 nan 8.250 nan 0.000 0.429 10 M N 1.132 120.701 119.600 -0.051 0.000 2.578 10 M HA 0.535 5.015 4.480 -0.000 0.000 0.321 10 M C 0.128 176.405 176.300 -0.037 0.000 1.182 10 M CA -0.783 54.481 55.300 -0.061 0.000 0.965 10 M CB 2.292 34.835 32.600 -0.095 0.000 1.694 10 M HN 0.714 nan 8.290 nan 0.000 0.461 11 G N 1.642 110.422 108.800 -0.033 0.000 2.719 11 G HA2 0.691 4.651 3.960 -0.000 0.000 0.298 11 G HA3 0.691 4.651 3.960 -0.000 0.000 0.298 11 G C -2.478 172.407 174.900 -0.026 0.000 1.411 11 G CA -0.468 44.617 45.100 -0.024 0.000 0.991 11 G HN 0.518 nan 8.290 nan 0.000 0.509 12 L N 0.634 121.839 121.223 -0.030 0.000 2.341 12 L HA 0.640 4.979 4.340 -0.000 0.000 0.278 12 L C -0.368 176.465 176.870 -0.061 0.000 1.005 12 L CA -0.638 54.179 54.840 -0.038 0.000 0.818 12 L CB 1.741 43.779 42.059 -0.036 0.000 1.259 12 L HN 0.601 nan 8.230 nan 0.000 0.418 13 E N 6.299 126.452 120.200 -0.078 0.000 2.207 13 E HA 0.457 4.807 4.350 -0.000 0.000 0.250 13 E C -1.100 175.315 176.600 -0.307 0.000 0.890 13 E CA -0.159 56.142 56.400 -0.166 0.000 0.749 13 E CB 1.662 31.314 29.700 -0.079 0.000 1.193 13 E HN 0.461 nan 8.360 nan 0.000 0.423 14 I N 3.186 123.532 120.570 -0.373 0.000 2.441 14 I HA 0.325 4.495 4.170 -0.000 0.000 0.295 14 I C -0.190 175.627 176.117 -0.500 0.000 0.994 14 I CA -0.860 60.236 61.300 -0.338 0.000 1.144 14 I CB 1.269 39.186 38.000 -0.139 0.000 1.314 14 I HN 0.426 nan 8.210 nan 0.000 0.445 15 H N 4.811 123.871 119.070 -0.017 0.000 2.547 15 H HA 0.478 5.034 4.556 -0.000 0.000 0.342 15 H C -1.098 174.214 175.328 -0.026 0.000 1.048 15 H CA -0.869 55.167 56.048 -0.019 0.000 1.204 15 H CB 2.365 32.119 29.762 -0.013 0.000 1.493 15 H HN 0.381 nan 8.280 nan 0.000 0.511 16 Q N 2.054 121.892 119.800 0.065 0.000 2.365 16 Q HA 0.242 4.582 4.340 -0.000 0.000 0.269 16 Q C -0.973 175.029 176.000 0.004 0.000 1.061 16 Q CA -0.685 55.129 55.803 0.019 0.000 0.816 16 Q CB 2.050 30.779 28.738 -0.017 0.000 1.325 16 Q HN 0.605 nan 8.270 nan 0.000 0.446 17 Q N 2.959 122.753 119.800 -0.010 0.000 2.261 17 Q HA 0.308 4.648 4.340 -0.000 0.000 0.252 17 Q C 0.213 176.190 176.000 -0.040 0.000 0.915 17 Q CA -0.157 55.630 55.803 -0.026 0.000 0.915 17 Q CB 1.147 29.869 28.738 -0.026 0.000 1.204 17 Q HN 0.753 nan 8.270 nan 0.000 0.421 18 L N 0.941 122.132 121.223 -0.054 0.000 2.416 18 L HA 0.035 4.375 4.340 -0.000 0.000 0.216 18 L C 0.132 176.967 176.870 -0.058 0.000 1.098 18 L CA 0.058 54.861 54.840 -0.062 0.000 0.840 18 L CB 0.109 42.119 42.059 -0.081 0.000 0.981 18 L HN 0.797 nan 8.230 nan 0.000 0.462 19 D N 1.901 122.268 120.400 -0.055 0.000 2.956 19 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 19 D C 0.010 176.278 176.300 -0.053 0.000 1.141 19 D CA 0.849 54.819 54.000 -0.050 0.000 0.820 19 D CB -0.501 40.274 40.800 -0.043 0.000 0.988 19 D HN 0.437 nan 8.370 nan 0.000 0.417 20 T N -1.462 113.056 114.554 -0.060 0.000 2.950 20 T HA 0.525 4.875 4.350 -0.000 0.000 0.288 20 T C 1.332 176.001 174.700 -0.051 0.000 1.035 20 T CA -0.643 61.421 62.100 -0.060 0.000 1.028 20 T CB 1.745 70.567 68.868 -0.077 0.000 1.109 20 T HN 0.117 nan 8.240 nan 0.000 0.514 21 E N 0.826 121.000 120.200 -0.043 0.000 2.021 21 E HA -0.085 4.265 4.350 -0.000 0.000 0.200 21 E C 1.052 177.628 176.600 -0.040 0.000 1.015 21 E CA 1.561 57.940 56.400 -0.036 0.000 0.824 21 E CB -0.041 29.643 29.700 -0.026 0.000 0.762 21 E HN 0.786 nan 8.360 nan 0.000 0.454 22 S N -0.091 115.583 115.700 -0.043 0.000 2.690 22 S HA 0.355 4.825 4.470 -0.000 0.000 0.291 22 S C -0.050 174.508 174.600 -0.070 0.000 1.138 22 S CA -1.077 57.094 58.200 -0.048 0.000 1.013 22 S CB 2.162 65.341 63.200 -0.035 0.000 1.053 22 S HN -0.036 nan 8.310 nan 0.000 0.539 23 K N -0.255 120.099 120.400 -0.077 0.000 2.284 23 K HA 0.151 4.471 4.320 -0.000 0.000 0.243 23 K C 1.152 177.662 176.600 -0.150 0.000 1.075 23 K CA -0.521 55.705 56.287 -0.102 0.000 0.868 23 K CB -0.063 32.386 32.500 -0.086 0.000 1.157 23 K HN 0.442 nan 8.250 nan 0.000 0.512 24 L N 0.498 121.584 121.223 -0.228 0.000 1.937 24 L HA -0.120 4.220 4.340 -0.000 0.000 0.213 24 L C 1.144 177.731 176.870 -0.472 0.000 1.077 24 L CA 1.876 56.438 54.840 -0.462 0.000 0.758 24 L CB -0.260 41.397 42.059 -0.669 0.000 0.888 24 L HN 0.535 nan 8.230 nan 0.000 0.433 25 F N -0.783 119.161 119.950 -0.011 0.000 2.923 25 F HA 0.304 4.831 4.527 -0.000 0.000 0.314 25 F C 0.291 176.048 175.800 -0.071 0.000 1.196 25 F CA -0.607 57.398 58.000 0.009 0.000 1.320 25 F CB 0.558 39.584 39.000 0.044 0.000 0.953 25 F HN 0.151 nan 8.300 nan 0.000 0.505 26 C N -0.165 119.122 119.300 -0.023 0.000 3.311 26 C HA 0.465 4.925 4.460 -0.000 0.000 0.325 26 C C -2.140 172.770 174.990 -0.134 0.000 1.352 26 C CA -1.476 57.422 59.018 -0.200 0.000 1.308 26 C CB 1.455 29.105 27.740 -0.149 0.000 1.619 26 C HN 0.118 nan 8.230 nan 0.000 0.469 27 P HA 0.200 nan 4.420 nan 0.000 0.245 27 P C 0.184 177.455 177.300 -0.047 0.000 1.203 27 P CA 0.161 63.227 63.100 -0.057 0.000 0.792 27 P CB -0.160 31.527 31.700 -0.021 0.000 0.997 28 C N 1.895 121.160 119.300 -0.058 0.000 2.563 28 C HA 0.062 4.522 4.460 -0.000 0.000 0.411 28 C C 1.351 176.316 174.990 -0.042 0.000 1.386 28 C CA -0.345 58.650 59.018 -0.040 0.000 1.703 28 C CB -1.223 26.497 27.740 -0.034 0.000 2.596 28 C HN 0.261 nan 8.230 nan 0.000 0.605 29 R N 1.638 122.115 120.500 -0.039 0.000 2.811 29 R HA 0.150 4.490 4.340 -0.000 0.000 0.265 29 R C 1.384 177.654 176.300 -0.050 0.000 1.026 29 R CA 0.691 56.765 56.100 -0.043 0.000 1.142 29 R CB 0.161 30.434 30.300 -0.044 0.000 1.027 29 R HN 0.901 nan 8.270 nan 0.000 0.465 30 T N -1.878 112.646 114.554 -0.050 0.000 3.278 30 T HA 0.075 4.425 4.350 -0.000 0.000 0.251 30 T C -0.199 174.472 174.700 -0.049 0.000 1.039 30 T CA -0.377 61.692 62.100 -0.051 0.000 0.935 30 T CB -0.598 68.238 68.868 -0.053 0.000 1.034 30 T HN 0.654 nan 8.240 nan 0.000 0.575 31 E N 0.826 120.993 120.200 -0.054 0.000 2.227 31 E HA 0.646 4.996 4.350 -0.000 0.000 0.268 31 E C -0.347 176.211 176.600 -0.069 0.000 0.907 31 E CA -1.139 55.227 56.400 -0.056 0.000 0.786 31 E CB 1.164 30.831 29.700 -0.056 0.000 1.191 31 E HN 0.097 nan 8.360 nan 0.000 0.411 32 L N 1.397 122.584 121.223 -0.059 0.000 2.475 32 L HA 0.392 4.732 4.340 -0.000 0.000 0.250 32 L C 0.014 176.820 176.870 -0.106 0.000 1.224 32 L CA -0.348 54.454 54.840 -0.064 0.000 0.821 32 L CB 0.644 42.683 42.059 -0.034 0.000 1.141 32 L HN 0.726 nan 8.230 nan 0.000 0.494 33 T N -1.354 113.123 114.554 -0.129 0.000 2.916 33 T HA 0.204 4.554 4.350 -0.000 0.000 0.298 33 T C -0.062 174.599 174.700 -0.065 0.000 1.031 33 T CA -0.580 61.407 62.100 -0.188 0.000 0.993 33 T CB 2.160 70.720 68.868 -0.514 0.000 1.045 33 T HN 0.472 nan 8.240 nan 0.000 0.454 34 D N 1.112 121.494 120.400 -0.030 0.000 2.389 34 D HA 0.060 4.700 4.640 -0.000 0.000 0.206 34 D C 1.379 177.720 176.300 0.069 0.000 1.055 34 D CA 0.276 54.293 54.000 0.028 0.000 0.856 34 D CB 0.487 41.291 40.800 0.008 0.000 0.957 34 D HN 0.641 nan 8.370 nan 0.000 0.509 35 S N 0.843 116.579 115.700 0.061 0.000 2.563 35 S HA -0.041 4.429 4.470 -0.000 0.000 0.269 35 S C 0.518 175.253 174.600 0.225 0.000 1.364 35 S CA -0.250 58.019 58.200 0.114 0.000 1.010 35 S CB 1.167 64.423 63.200 0.094 0.000 0.877 35 S HN -0.063 nan 8.310 nan 0.000 0.549 36 E N 2.834 123.124 120.200 0.150 0.000 2.324 36 E HA 0.208 4.558 4.350 -0.000 0.000 0.271 36 E C -1.947 174.686 176.600 0.055 0.000 1.028 36 E CA -1.718 54.733 56.400 0.086 0.000 0.890 36 E CB 0.382 30.101 29.700 0.030 0.000 1.004 36 E HN 0.530 nan 8.360 nan 0.000 0.431 37 P HA 0.065 nan 4.420 nan 0.000 0.271 37 P C -0.574 176.513 177.300 -0.356 0.000 1.216 37 P CA -0.029 62.694 63.100 -0.628 0.000 0.771 37 P CB 0.749 32.104 31.700 -0.575 0.000 0.864 38 D N -0.407 119.749 120.400 -0.407 0.000 2.317 38 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 38 D C 0.524 176.671 176.300 -0.255 0.000 0.966 38 D CA 1.344 55.127 54.000 -0.361 0.000 0.876 38 D CB -0.083 40.262 40.800 -0.759 0.000 0.927 38 D HN 0.445 nan 8.370 nan 0.000 0.519 39 H N 0.071 118.970 119.070 -0.286 0.000 2.947 39 H HA 0.300 4.855 4.556 -0.000 0.000 0.354 39 H C -1.791 173.480 175.328 -0.095 0.000 1.085 39 H CA -0.902 55.064 56.048 -0.137 0.000 1.253 39 H CB 1.333 31.052 29.762 -0.071 0.000 1.757 39 H HN -0.176 nan 8.280 nan 0.000 0.523 40 D N 4.519 125.101 120.400 0.304 0.000 2.373 40 D HA 0.319 4.959 4.640 -0.000 0.000 0.227 40 D C 0.001 176.444 176.300 0.238 0.000 1.091 40 D CA -0.318 53.804 54.000 0.203 0.000 0.840 40 D CB 0.696 41.582 40.800 0.143 0.000 1.060 40 D HN 0.352 nan 8.370 nan 0.000 0.502 41 I N 3.631 124.278 120.570 0.128 0.000 2.331 41 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 41 I C -0.201 175.899 176.117 -0.029 0.000 0.998 41 I CA -1.019 60.301 61.300 0.035 0.000 1.267 41 I CB 1.613 39.601 38.000 -0.020 0.000 1.386 41 I HN 0.055 nan 8.210 nan 0.000 0.476 42 V N 7.635 127.441 119.914 -0.180 0.000 2.407 42 V HA 0.498 4.618 4.120 -0.000 0.000 0.278 42 V C 0.285 176.251 176.094 -0.213 0.000 1.037 42 V CA -0.400 61.625 62.300 -0.457 0.000 0.900 42 V CB 1.198 32.728 31.823 -0.487 0.000 0.983 42 V HN 0.746 nan 8.190 nan 0.000 0.459 43 R N 3.319 123.711 120.500 -0.180 0.000 2.831 43 R HA 0.562 4.902 4.340 -0.000 0.000 0.266 43 R C -1.317 174.918 176.300 -0.109 0.000 1.051 43 R CA -1.010 55.063 56.100 -0.046 0.000 0.943 43 R CB 2.152 32.529 30.300 0.130 0.000 1.228 43 R HN 0.612 nan 8.270 nan 0.000 0.467 44 N N 1.161 119.841 118.700 -0.033 0.000 2.371 44 N HA 0.295 5.035 4.740 -0.000 0.000 0.291 44 N C -1.124 174.393 175.510 0.011 0.000 1.053 44 N CA -0.532 52.482 53.050 -0.060 0.000 0.870 44 N CB 1.987 40.456 38.487 -0.030 0.000 1.503 44 N HN 0.212 nan 8.380 nan 0.000 0.485 45 L N 1.389 122.626 121.223 0.023 0.000 2.439 45 L HA 0.504 4.844 4.340 -0.000 0.000 0.259 45 L C 0.615 177.498 176.870 0.023 0.000 1.129 45 L CA -0.151 54.743 54.840 0.091 0.000 0.803 45 L CB 0.827 43.029 42.059 0.238 0.000 1.161 45 L HN 0.388 nan 8.230 nan 0.000 0.462 46 R N 0.766 121.290 120.500 0.039 0.000 2.628 46 R HA 0.386 4.726 4.340 -0.000 0.000 0.288 46 R C -1.820 174.483 176.300 0.004 0.000 0.980 46 R CA -1.306 54.796 56.100 0.004 0.000 0.891 46 R CB 2.149 32.471 30.300 0.037 0.000 1.188 46 R HN 0.443 nan 8.270 nan 0.000 0.450 47 P HA 0.126 nan 4.420 nan 0.000 0.217 47 P C -0.471 176.873 177.300 0.074 0.000 1.235 47 P CA 0.222 63.279 63.100 -0.071 0.000 0.726 47 P CB 0.362 31.841 31.700 -0.368 0.000 0.664 60 F N 2.225 122.182 119.950 0.011 0.000 2.707 60 F HA 0.242 4.769 4.527 -0.000 0.000 0.301 60 F C 1.589 177.393 175.800 0.008 0.000 1.314 60 F CA 1.366 59.372 58.000 0.011 0.000 1.443 60 F CB 0.206 39.212 39.000 0.011 0.000 1.124 60 F HN 0.342 nan 8.300 nan 0.000 0.521 61 E N -1.392 118.869 120.200 0.102 0.000 2.641 61 E HA -0.021 4.329 4.350 -0.000 0.000 0.201 61 E C 1.332 177.941 176.600 0.015 0.000 0.921 61 E CA 0.280 56.715 56.400 0.058 0.000 1.551 61 E CB 0.433 30.172 29.700 0.064 0.000 1.640 61 E HN 0.259 nan 8.360 nan 0.000 0.906 62 E N 0.458 120.661 120.200 0.006 0.000 2.453 62 E HA 0.266 4.616 4.350 -0.000 0.000 0.211 62 E C 1.451 178.030 176.600 -0.035 0.000 0.897 62 E CA 0.891 57.284 56.400 -0.011 0.000 1.063 62 E CB 0.368 30.070 29.700 0.004 0.000 1.080 62 E HN 0.101 nan 8.360 nan 0.000 0.512 63 A N 0.889 123.672 122.820 -0.062 0.000 1.872 63 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 63 A C 2.211 179.717 177.584 -0.130 0.000 1.187 63 A CA 1.575 53.549 52.037 -0.105 0.000 0.614 63 A CB -0.531 18.355 19.000 -0.188 0.000 0.826 63 A HN 0.289 nan 8.150 nan 0.000 0.442 64 M N -0.499 119.007 119.600 -0.156 0.000 2.110 64 M HA -0.234 4.246 4.480 -0.000 0.000 0.257 64 M C 2.220 178.460 176.300 -0.100 0.000 1.071 64 M CA 1.714 56.934 55.300 -0.133 0.000 1.096 64 M CB -0.499 32.050 32.600 -0.085 0.000 1.300 64 M HN 0.252 nan 8.290 nan 0.000 0.411 65 R N 0.697 121.155 120.500 -0.071 0.000 2.211 65 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 65 R C 1.448 177.701 176.300 -0.079 0.000 1.144 65 R CA 1.174 57.234 56.100 -0.066 0.000 0.992 65 R CB -0.772 29.496 30.300 -0.054 0.000 0.869 65 R HN 0.518 nan 8.270 nan 0.000 0.462 66 K N 0.541 120.891 120.400 -0.083 0.000 2.458 66 K HA 0.164 4.484 4.320 -0.000 0.000 0.194 66 K C 1.076 177.579 176.600 -0.162 0.000 1.024 66 K CA 0.133 56.380 56.287 -0.067 0.000 1.108 66 K CB 0.330 32.820 32.500 -0.016 0.000 0.846 66 K HN 0.123 nan 8.250 nan 0.000 0.518 67 L N -0.596 120.441 121.223 -0.310 0.000 2.906 67 L HA 0.164 4.504 4.340 -0.000 0.000 0.255 67 L C 0.235 176.437 176.870 -1.113 0.000 1.166 67 L CA -0.405 54.026 54.840 -0.681 0.000 0.977 67 L CB 0.057 41.938 42.059 -0.296 0.000 1.313 67 L HN 0.122 nan 8.230 nan 0.000 0.549 68 H N 0.968 119.603 119.070 -0.725 0.000 2.819 68 H HA 0.326 4.882 4.556 -0.000 0.000 0.303 68 H C -1.056 174.026 175.328 -0.411 0.000 1.058 68 H CA 0.376 56.175 56.048 -0.416 0.000 1.471 68 H CB 0.241 29.920 29.762 -0.138 0.000 1.480 68 H HN -0.063 nan 8.280 nan 0.000 0.517 69 F N 3.386 123.286 119.950 -0.084 0.000 2.565 69 F HA 0.275 4.802 4.527 -0.000 0.000 0.313 69 F C -0.424 175.345 175.800 -0.052 0.000 1.091 69 F CA -1.120 56.867 58.000 -0.021 0.000 0.915 69 F CB 1.633 40.599 39.000 -0.057 0.000 1.208 69 F HN 0.588 nan 8.300 nan 0.000 0.453 70 H N 1.506 120.546 119.070 -0.051 0.000 2.539 70 H HA 0.403 4.959 4.556 -0.000 0.000 0.332 70 H C -1.416 173.818 175.328 -0.155 0.000 1.031 70 H CA -1.000 55.030 56.048 -0.030 0.000 1.206 70 H CB 0.990 30.767 29.762 0.024 0.000 1.446 70 H HN 0.383 nan 8.280 nan 0.000 0.496 71 Y N 0.861 121.244 120.300 0.138 0.000 2.360 71 Y HA 0.279 4.829 4.550 -0.000 0.000 0.337 71 Y C 0.515 176.442 175.900 0.044 0.000 1.039 71 Y CA -0.782 57.377 58.100 0.099 0.000 1.109 71 Y CB 1.294 39.770 38.460 0.026 0.000 1.201 71 Y HN 0.509 nan 8.280 nan 0.000 0.458 72 E N 3.334 123.619 120.200 0.142 0.000 2.167 72 E HA 0.262 4.612 4.350 -0.000 0.000 0.284 72 E C -0.801 175.755 176.600 -0.075 0.000 1.016 72 E CA -0.489 55.907 56.400 -0.006 0.000 0.817 72 E CB 0.849 30.516 29.700 -0.056 0.000 1.080 72 E HN 0.653 nan 8.360 nan 0.000 0.397 73 N N 2.052 120.650 118.700 -0.170 0.000 2.402 73 N HA 0.389 5.129 4.740 -0.000 0.000 0.294 73 N C -1.245 174.022 175.510 -0.406 0.000 1.203 73 N CA -0.557 52.398 53.050 -0.159 0.000 0.838 73 N CB 1.402 39.854 38.487 -0.058 0.000 1.306 73 N HN 0.312 nan 8.380 nan 0.000 0.510 74 Y N -0.055 120.247 120.300 0.003 0.000 2.425 74 Y HA 0.249 4.799 4.550 -0.000 0.000 0.344 74 Y C 1.110 177.038 175.900 0.047 0.000 0.969 74 Y CA -0.768 57.316 58.100 -0.027 0.000 1.052 74 Y CB 1.184 39.643 38.460 -0.001 0.000 1.215 74 Y HN 0.564 nan 8.280 nan 0.000 0.451 75 H N 0.883 120.060 119.070 0.179 0.000 2.456 75 H HA -0.107 4.449 4.556 -0.000 0.000 0.296 75 H C 1.356 176.746 175.328 0.105 0.000 1.079 75 H CA 1.881 57.999 56.048 0.117 0.000 1.322 75 H CB 0.309 30.128 29.762 0.094 0.000 1.388 75 H HN 0.760 nan 8.280 nan 0.000 0.538 76 E N 0.218 120.564 120.200 0.243 0.000 2.207 76 E HA -0.034 4.316 4.350 -0.000 0.000 0.197 76 E C 1.377 178.030 176.600 0.088 0.000 0.914 76 E CA 0.223 56.704 56.400 0.135 0.000 0.914 76 E CB 0.395 30.153 29.700 0.096 0.000 0.893 76 E HN 0.342 nan 8.360 nan 0.000 0.479 77 E N 0.344 120.583 120.200 0.065 0.000 2.365 77 E HA 0.082 4.432 4.350 -0.000 0.000 0.188 77 E C -0.372 176.263 176.600 0.058 0.000 1.102 77 E CA 0.235 56.623 56.400 -0.020 0.000 0.927 77 E CB 0.423 29.990 29.700 -0.223 0.000 1.073 77 E HN -0.050 nan 8.360 nan 0.000 0.467 78 T N 0.366 114.996 114.554 0.126 0.000 2.889 78 T HA 0.402 4.751 4.350 -0.000 0.000 0.315 78 T C -0.924 173.824 174.700 0.081 0.000 1.291 78 T CA -0.586 61.585 62.100 0.119 0.000 1.028 78 T CB 1.570 70.551 68.868 0.189 0.000 1.235 78 T HN 0.459 nan 8.240 nan 0.000 0.491 79 C N 2.165 121.487 119.300 0.036 0.000 3.235 79 C HA 0.700 5.160 4.460 -0.000 0.000 0.351 79 C C 1.672 176.664 174.990 0.003 0.000 1.520 79 C CA -0.909 58.121 59.018 0.021 0.000 1.474 79 C CB -0.491 27.243 27.740 -0.011 0.000 2.019 79 C HN 0.947 nan 8.230 nan 0.000 0.446 80 L N 1.181 122.407 121.223 0.007 0.000 2.275 80 L HA -0.058 4.281 4.340 -0.000 0.000 0.215 80 L C 2.461 179.320 176.870 -0.019 0.000 1.119 80 L CA 1.000 55.837 54.840 -0.006 0.000 0.790 80 L CB -0.397 41.672 42.059 0.016 0.000 0.919 80 L HN 0.781 nan 8.230 nan 0.000 0.443 81 V N -0.108 119.795 119.914 -0.019 0.000 2.358 81 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 81 V C 2.440 178.502 176.094 -0.053 0.000 1.047 81 V CA 1.690 63.977 62.300 -0.022 0.000 1.035 81 V CB -0.552 31.243 31.823 -0.047 0.000 0.658 81 V HN 0.516 nan 8.190 nan 0.000 0.452 82 E N 1.430 121.595 120.200 -0.058 0.000 2.160 82 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 82 E C 2.182 178.698 176.600 -0.140 0.000 0.991 82 E CA 1.587 57.942 56.400 -0.076 0.000 0.810 82 E CB -0.415 29.265 29.700 -0.033 0.000 0.742 82 E HN 0.600 nan 8.360 nan 0.000 0.466 83 A N 1.278 124.020 122.820 -0.130 0.000 2.167 83 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 83 A C 0.600 178.055 177.584 -0.215 0.000 1.151 83 A CA 0.899 52.822 52.037 -0.189 0.000 0.735 83 A CB -0.142 18.774 19.000 -0.140 0.000 0.802 83 A HN 0.213 nan 8.150 nan 0.000 0.467 84 D N -1.945 118.358 120.400 -0.161 0.000 3.051 84 D HA -0.103 4.537 4.640 -0.000 0.000 0.218 84 D C 0.297 176.545 176.300 -0.087 0.000 1.129 84 D CA 1.056 54.973 54.000 -0.138 0.000 0.868 84 D CB -0.955 39.724 40.800 -0.203 0.000 1.100 84 D HN 0.428 nan 8.370 nan 0.000 0.429 85 E N 0.041 120.202 120.200 -0.066 0.000 2.538 85 E HA 0.239 4.589 4.350 -0.000 0.000 0.207 85 E C 0.097 176.691 176.600 -0.009 0.000 1.002 85 E CA 0.095 56.470 56.400 -0.042 0.000 0.952 85 E CB 0.751 30.418 29.700 -0.054 0.000 1.031 85 E HN 0.620 nan 8.360 nan 0.000 0.476 86 E N 0.658 120.863 120.200 0.008 0.000 2.347 86 E HA 0.296 4.646 4.350 -0.000 0.000 0.285 86 E C -2.899 173.741 176.600 0.067 0.000 0.925 86 E CA -1.987 54.441 56.400 0.046 0.000 0.779 86 E CB 1.856 31.605 29.700 0.081 0.000 1.233 86 E HN -0.240 nan 8.360 nan 0.000 0.414 87 P HA 0.136 nan 4.420 nan 0.000 0.266 87 P C -2.524 174.862 177.300 0.144 0.000 1.195 87 P CA -0.797 62.344 63.100 0.069 0.000 0.768 87 P CB 0.088 31.806 31.700 0.031 0.000 0.838 88 P HA -0.041 nan 4.420 nan 0.000 0.260 88 P C -0.238 177.208 177.300 0.244 0.000 1.185 88 P CA 0.741 63.927 63.100 0.143 0.000 0.763 88 P CB 0.099 31.776 31.700 -0.040 0.000 0.776 89 H N 3.961 123.086 119.070 0.091 0.000 2.703 89 H HA 0.231 4.787 4.556 -0.000 0.000 0.377 89 H C -1.712 173.701 175.328 0.142 0.000 1.392 89 H CA -1.491 54.613 56.048 0.093 0.000 1.458 89 H CB -1.214 28.608 29.762 0.099 0.000 1.529 89 H HN 0.331 nan 8.280 nan 0.000 0.619 90 P HA 0.017 nan 4.420 nan 0.000 0.275 90 P C -0.298 177.249 177.300 0.411 0.000 1.266 90 P CA -0.703 62.550 63.100 0.254 0.000 0.793 90 P CB 0.540 32.340 31.700 0.166 0.000 1.074 91 L N 1.753 123.257 121.223 0.468 0.000 2.615 91 L HA -0.032 4.308 4.340 -0.000 0.000 0.284 91 L C 0.628 177.614 176.870 0.193 0.000 1.237 91 L CA 0.565 55.665 54.840 0.432 0.000 0.905 91 L CB -0.689 41.599 42.059 0.383 0.000 1.149 91 L HN 0.320 nan 8.230 nan 0.000 0.499 92 N N 6.408 125.109 118.700 0.001 0.000 2.399 92 N HA 0.109 4.849 4.740 -0.000 0.000 0.259 92 N C -1.934 173.542 175.510 -0.058 0.000 1.160 92 N CA -1.520 51.508 53.050 -0.037 0.000 0.946 92 N CB 1.187 39.596 38.487 -0.130 0.000 1.156 92 N HN 0.408 nan 8.380 nan 0.000 0.489 93 P HA -0.204 nan 4.420 nan 0.000 0.215 93 P C 1.037 178.295 177.300 -0.071 0.000 1.163 93 P CA 1.400 64.511 63.100 0.020 0.000 0.894 93 P CB 0.235 31.995 31.700 0.101 0.000 0.791 94 E N -0.499 119.668 120.200 -0.055 0.000 2.130 94 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 94 E C 1.835 178.367 176.600 -0.114 0.000 0.998 94 E CA 1.364 57.721 56.400 -0.072 0.000 0.806 94 E CB -0.554 29.112 29.700 -0.055 0.000 0.738 94 E HN 0.106 nan 8.360 nan 0.000 0.459 95 A N 1.026 123.758 122.820 -0.147 0.000 1.858 95 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 95 A C 2.160 179.606 177.584 -0.229 0.000 1.190 95 A CA 1.367 53.292 52.037 -0.187 0.000 0.617 95 A CB -0.800 18.059 19.000 -0.234 0.000 0.827 95 A HN 0.394 nan 8.150 nan 0.000 0.443 96 L N 0.193 121.232 121.223 -0.307 0.000 2.187 96 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 96 L C 2.190 178.889 176.870 -0.285 0.000 1.100 96 L CA 2.553 57.150 54.840 -0.405 0.000 0.765 96 L CB -0.513 41.153 42.059 -0.654 0.000 0.904 96 L HN 0.654 nan 8.230 nan 0.000 0.437 97 E N -0.262 119.817 120.200 -0.202 0.000 2.015 97 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 97 E C 2.222 178.753 176.600 -0.115 0.000 0.991 97 E CA 1.877 58.197 56.400 -0.134 0.000 0.802 97 E CB -0.281 29.366 29.700 -0.088 0.000 0.759 97 E HN 0.577 nan 8.360 nan 0.000 0.447 98 I N 1.105 121.609 120.570 -0.110 0.000 2.226 98 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 98 I C 2.579 178.635 176.117 -0.101 0.000 1.100 98 I CA 0.948 62.192 61.300 -0.093 0.000 1.374 98 I CB -0.353 37.594 38.000 -0.087 0.000 1.057 98 I HN 0.248 nan 8.210 nan 0.000 0.413 99 A N 0.432 123.174 122.820 -0.130 0.000 1.917 99 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 99 A C 2.442 179.963 177.584 -0.106 0.000 1.182 99 A CA 2.142 54.103 52.037 -0.126 0.000 0.633 99 A CB -1.020 17.873 19.000 -0.177 0.000 0.819 99 A HN 0.254 nan 8.150 nan 0.000 0.448 100 V N -0.538 119.304 119.914 -0.119 0.000 2.270 100 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 100 V C 2.724 178.776 176.094 -0.069 0.000 1.043 100 V CA 2.416 64.662 62.300 -0.090 0.000 1.014 100 V CB -1.353 30.413 31.823 -0.096 0.000 0.645 100 V HN 0.622 nan 8.190 nan 0.000 0.447 101 T N 0.722 115.234 114.554 -0.069 0.000 2.592 101 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 101 T C 1.796 176.461 174.700 -0.058 0.000 1.060 101 T CA 2.398 64.464 62.100 -0.057 0.000 1.167 101 T CB -0.443 68.391 68.868 -0.056 0.000 0.863 101 T HN 0.339 nan 8.240 nan 0.000 0.431 102 I N 1.295 121.827 120.570 -0.063 0.000 2.194 102 I HA -0.273 3.897 4.170 -0.000 0.000 0.246 102 I C 2.912 178.991 176.117 -0.063 0.000 1.093 102 I CA 1.307 62.569 61.300 -0.063 0.000 1.355 102 I CB -0.614 37.347 38.000 -0.065 0.000 1.046 102 I HN 0.245 nan 8.210 nan 0.000 0.413 103 A N 1.115 123.900 122.820 -0.059 0.000 1.851 103 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 103 A C 2.308 179.858 177.584 -0.057 0.000 1.195 103 A CA 1.679 53.684 52.037 -0.053 0.000 0.622 103 A CB -1.038 17.936 19.000 -0.042 0.000 0.831 103 A HN 0.394 nan 8.150 nan 0.000 0.444 104 L N -0.699 120.492 121.223 -0.052 0.000 2.042 104 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 104 L C 2.482 179.313 176.870 -0.066 0.000 1.076 104 L CA 1.161 55.971 54.840 -0.051 0.000 0.749 104 L CB -0.580 41.456 42.059 -0.039 0.000 0.893 104 L HN 0.386 nan 8.230 nan 0.000 0.432 105 L N -0.603 120.581 121.223 -0.065 0.000 2.353 105 L HA -0.181 4.159 4.340 -0.000 0.000 0.220 105 L C 1.871 178.684 176.870 -0.096 0.000 1.133 105 L CA 0.802 55.600 54.840 -0.070 0.000 0.798 105 L CB -0.218 41.804 42.059 -0.062 0.000 0.922 105 L HN 0.312 nan 8.230 nan 0.000 0.445 106 L N -0.657 120.501 121.223 -0.107 0.000 2.700 106 L HA 0.161 4.501 4.340 -0.000 0.000 0.234 106 L C 0.061 176.799 176.870 -0.220 0.000 1.156 106 L CA -0.199 54.558 54.840 -0.139 0.000 0.946 106 L CB -0.196 41.804 42.059 -0.099 0.000 1.216 106 L HN 0.280 nan 8.230 nan 0.000 0.493 107 N N 0.036 118.612 118.700 -0.206 0.000 2.754 107 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 107 N C -0.226 175.204 175.510 -0.134 0.000 1.093 107 N CA 1.029 53.936 53.050 -0.237 0.000 0.699 107 N CB -1.204 36.904 38.487 -0.630 0.000 1.016 107 N HN 0.342 nan 8.380 nan 0.000 0.552 108 M N -0.138 119.414 119.600 -0.080 0.000 2.513 108 M HA 0.416 4.896 4.480 -0.000 0.000 0.291 108 M C 0.621 176.913 176.300 -0.013 0.000 1.190 108 M CA -0.487 54.792 55.300 -0.035 0.000 0.960 108 M CB 0.896 33.476 32.600 -0.034 0.000 1.517 108 M HN -0.130 nan 8.290 nan 0.000 0.499 109 R N 1.391 121.892 120.500 0.001 0.000 2.247 109 R HA 0.376 4.715 4.340 -0.000 0.000 0.329 109 R C -1.247 175.059 176.300 0.010 0.000 1.014 109 R CA -0.546 55.559 56.100 0.008 0.000 0.907 109 R CB -0.164 30.144 30.300 0.015 0.000 1.146 109 R HN 0.472 nan 8.270 nan 0.000 0.499 110 V N 3.790 123.709 119.914 0.009 0.000 2.617 110 V HA -0.053 4.067 4.120 -0.000 0.000 0.304 110 V C 1.296 177.409 176.094 0.032 0.000 1.040 110 V CA -0.089 62.221 62.300 0.017 0.000 1.149 110 V CB 0.422 32.251 31.823 0.009 0.000 0.914 110 V HN 0.352 nan 8.190 nan 0.000 0.487 111 V N 4.760 124.703 119.914 0.048 0.000 3.139 111 V HA 0.005 4.125 4.120 -0.000 0.000 0.307 111 V C 1.158 177.294 176.094 0.070 0.000 1.095 111 V CA 0.178 62.507 62.300 0.049 0.000 1.160 111 V CB 0.542 32.402 31.823 0.061 0.000 1.003 111 V HN 0.977 nan 8.190 nan 0.000 0.489 112 D N 0.990 121.424 120.400 0.057 0.000 2.183 112 D HA 0.030 4.670 4.640 -0.000 0.000 0.205 112 D C 0.767 177.146 176.300 0.132 0.000 0.962 112 D CA 0.943 54.990 54.000 0.078 0.000 0.849 112 D CB 0.300 41.132 40.800 0.052 0.000 0.978 112 D HN 0.744 nan 8.370 nan 0.000 0.488 113 E N -0.569 119.709 120.200 0.130 0.000 2.265 113 E HA 0.215 4.565 4.350 -0.000 0.000 0.262 113 E C -1.503 175.250 176.600 0.254 0.000 0.889 113 E CA -0.618 55.920 56.400 0.231 0.000 0.789 113 E CB 1.077 30.917 29.700 0.234 0.000 1.221 113 E HN -0.150 nan 8.360 nan 0.000 0.414 114 F N 4.667 124.770 119.950 0.255 0.000 2.410 114 F HA 0.329 4.856 4.527 -0.000 0.000 0.348 114 F C -0.666 175.376 175.800 0.404 0.000 1.106 114 F CA -0.005 58.128 58.000 0.221 0.000 1.163 114 F CB 0.581 39.660 39.000 0.131 0.000 1.129 114 F HN 0.500 nan 8.300 nan 0.000 0.516 115 H N 3.998 122.601 119.070 -0.779 0.000 2.646 115 H HA 0.231 4.787 4.556 -0.000 0.000 0.328 115 H C -0.443 174.504 175.328 -0.635 0.000 0.998 115 H CA -1.190 54.575 56.048 -0.472 0.000 1.225 115 H CB 1.421 31.019 29.762 -0.273 0.000 1.457 115 H HN 0.500 nan 8.280 nan 0.000 0.505 116 T N 5.031 119.499 114.554 -0.144 0.000 2.851 116 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 116 T C 0.560 175.192 174.700 -0.113 0.000 0.977 116 T CA -0.331 61.754 62.100 -0.026 0.000 1.126 116 T CB 0.497 69.393 68.868 0.046 0.000 0.916 116 T HN 0.310 nan 8.240 nan 0.000 0.529 117 M N 2.185 121.731 119.600 -0.089 0.000 2.811 117 M HA 0.479 4.959 4.480 -0.000 0.000 0.303 117 M C 0.230 176.418 176.300 -0.187 0.000 1.227 117 M CA -0.789 54.422 55.300 -0.147 0.000 0.874 117 M CB 1.508 34.049 32.600 -0.097 0.000 1.681 117 M HN 0.424 nan 8.290 nan 0.000 0.500 118 R N 1.070 121.370 120.500 -0.335 0.000 2.358 118 R HA 0.308 4.648 4.340 -0.000 0.000 0.309 118 R C -0.666 175.531 176.300 -0.173 0.000 1.026 118 R CA -0.474 55.374 56.100 -0.419 0.000 0.909 118 R CB 1.455 31.037 30.300 -1.197 0.000 1.153 118 R HN 0.480 nan 8.270 nan 0.000 0.515 119 K N 2.630 123.046 120.400 0.028 0.000 2.310 119 K HA 0.025 4.345 4.320 -0.000 0.000 0.290 119 K C 0.044 176.736 176.600 0.153 0.000 1.077 119 K CA -0.280 56.054 56.287 0.080 0.000 0.922 119 K CB 0.749 33.300 32.500 0.085 0.000 1.057 119 K HN 0.349 nan 8.250 nan 0.000 0.479 120 Q N 3.356 123.250 119.800 0.158 0.000 2.262 120 Q HA -0.022 4.318 4.340 -0.000 0.000 0.298 120 Q C -1.159 174.934 176.000 0.155 0.000 1.083 120 Q CA 0.689 56.614 55.803 0.204 0.000 0.962 120 Q CB 0.545 29.387 28.738 0.175 0.000 1.104 120 Q HN 0.399 nan 8.270 nan 0.000 0.376 121 V N 7.406 127.413 119.914 0.156 0.000 2.658 121 V HA 0.051 4.171 4.120 -0.000 0.000 0.259 121 V C 0.304 176.429 176.094 0.053 0.000 0.933 121 V CA -0.442 61.905 62.300 0.079 0.000 0.871 121 V CB 0.790 32.636 31.823 0.038 0.000 1.062 121 V HN 0.746 nan 8.190 nan 0.000 0.479 122 I N -1.084 119.534 120.570 0.080 0.000 3.684 122 I HA 0.219 4.389 4.170 -0.000 0.000 0.308 122 I C 1.356 177.547 176.117 0.122 0.000 1.263 122 I CA 0.745 62.108 61.300 0.106 0.000 1.174 122 I CB -0.493 37.575 38.000 0.113 0.000 1.021 122 I HN 0.471 nan 8.210 nan 0.000 0.451 123 D N 1.709 122.128 120.400 0.032 0.000 2.144 123 D HA 0.034 4.674 4.640 -0.000 0.000 0.200 123 D C 2.079 178.270 176.300 -0.183 0.000 0.978 123 D CA 2.111 56.111 54.000 0.000 0.000 0.833 123 D CB 0.064 40.844 40.800 -0.033 0.000 0.961 123 D HN 0.510 nan 8.370 nan 0.000 0.470 124 G N -0.994 107.501 108.800 -0.508 0.000 2.278 124 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.210 124 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.210 124 G C 1.297 175.225 174.900 -1.619 0.000 1.000 124 G CA 0.849 45.125 45.100 -1.373 0.000 0.635 124 G HN 0.550 nan 8.290 nan 0.000 0.495 125 S N 0.613 115.698 115.700 -1.024 0.000 2.465 125 S HA 0.049 4.519 4.470 -0.000 0.000 0.241 125 S C 0.760 175.049 174.600 -0.517 0.000 1.000 125 S CA 1.558 59.287 58.200 -0.786 0.000 0.964 125 S CB -0.390 62.648 63.200 -0.270 0.000 0.763 125 S HN 1.500 nan 8.310 nan 0.000 0.512 126 N N -0.079 118.362 118.700 -0.431 0.000 2.262 126 N HA 0.394 5.134 4.740 -0.000 0.000 0.295 126 N C 0.258 175.564 175.510 -0.340 0.000 1.161 126 N CA -0.271 52.594 53.050 -0.307 0.000 0.767 126 N CB 1.130 39.459 38.487 -0.263 0.000 1.499 126 N HN 0.049 nan 8.380 nan 0.000 0.476 127 T N -3.846 110.458 114.554 -0.416 0.000 3.085 127 T HA 0.137 4.487 4.350 -0.000 0.000 0.263 127 T C 1.396 175.816 174.700 -0.467 0.000 1.127 127 T CA 0.770 62.498 62.100 -0.621 0.000 1.103 127 T CB -0.577 67.843 68.868 -0.745 0.000 0.921 127 T HN 0.650 nan 8.240 nan 0.000 0.510 128 G N 0.520 109.001 108.800 -0.532 0.000 2.595 128 G HA2 0.437 4.397 3.960 -0.000 0.000 0.213 128 G HA3 0.437 4.397 3.960 -0.000 0.000 0.213 128 G C 1.195 175.718 174.900 -0.628 0.000 1.141 128 G CA 0.093 44.775 45.100 -0.696 0.000 0.806 128 G HN 1.181 nan 8.290 nan 0.000 0.530 129 G N -1.130 107.380 108.800 -0.482 0.000 2.154 129 G HA2 0.084 4.044 3.960 -0.000 0.000 0.186 129 G HA3 0.084 4.044 3.960 -0.000 0.000 0.186 129 G C 0.089 175.002 174.900 0.022 0.000 1.000 129 G CA 0.081 45.105 45.100 -0.127 0.000 0.664 129 G HN 1.426 nan 8.290 nan 0.000 0.513 130 F N -2.311 117.636 119.950 -0.005 0.000 2.842 130 F HA 0.773 5.300 4.527 -0.000 0.000 0.319 130 F C -0.962 174.823 175.800 -0.025 0.000 1.159 130 F CA -1.394 56.603 58.000 -0.005 0.000 0.902 130 F CB 1.051 40.050 39.000 -0.002 0.000 1.311 130 F HN 0.215 nan 8.300 nan 0.000 0.453 131 Q N 1.515 121.494 119.800 0.299 0.000 2.312 131 Q HA 0.561 4.901 4.340 -0.000 0.000 0.263 131 Q C -1.224 174.929 176.000 0.256 0.000 0.995 131 Q CA -0.915 55.007 55.803 0.197 0.000 0.853 131 Q CB 1.760 30.562 28.738 0.106 0.000 1.300 131 Q HN 0.776 nan 8.270 nan 0.000 0.448 132 R N 2.539 123.201 120.500 0.269 0.000 2.220 132 R HA 0.314 4.654 4.340 -0.000 0.000 0.340 132 R C -0.813 175.668 176.300 0.301 0.000 1.076 132 R CA 0.113 56.382 56.100 0.281 0.000 0.920 132 R CB 0.864 31.395 30.300 0.386 0.000 1.062 132 R HN 0.551 nan 8.270 nan 0.000 0.469 133 T N 0.393 115.071 114.554 0.205 0.000 2.906 133 T HA 0.690 5.040 4.350 -0.000 0.000 0.295 133 T C -0.170 174.641 174.700 0.186 0.000 1.061 133 T CA -0.952 61.272 62.100 0.208 0.000 1.000 133 T CB 2.323 71.268 68.868 0.128 0.000 1.103 133 T HN 0.664 nan 8.240 nan 0.000 0.486 134 G N 1.093 110.061 108.800 0.280 0.000 2.731 134 G HA2 0.554 4.514 3.960 -0.000 0.000 0.298 134 G HA3 0.554 4.514 3.960 -0.000 0.000 0.298 134 G C -1.613 173.407 174.900 0.201 0.000 1.424 134 G CA -0.690 44.438 45.100 0.046 0.000 1.029 134 G HN 0.695 nan 8.290 nan 0.000 0.518 135 L N 3.001 124.190 121.223 -0.057 0.000 2.367 135 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 135 L C 0.942 177.941 176.870 0.216 0.000 1.129 135 L CA 0.172 55.052 54.840 0.066 0.000 0.839 135 L CB 1.715 43.754 42.059 -0.033 0.000 1.133 135 L HN 0.372 nan 8.230 nan 0.000 0.453 136 V N 4.738 124.799 119.914 0.244 0.000 3.212 136 V HA 0.651 4.771 4.120 -0.000 0.000 0.244 136 V C 0.585 176.737 176.094 0.097 0.000 1.151 136 V CA 0.861 63.301 62.300 0.233 0.000 1.119 136 V CB 0.603 32.488 31.823 0.104 0.000 0.838 136 V HN 0.964 nan 8.190 nan 0.000 0.470 137 A N -0.656 122.197 122.820 0.054 0.000 2.602 137 A HA 0.837 5.157 4.320 -0.000 0.000 0.290 137 A C -0.262 177.329 177.584 0.011 0.000 1.114 137 A CA 0.262 52.312 52.037 0.022 0.000 0.683 137 A CB 1.666 20.668 19.000 0.003 0.000 1.281 137 A HN 0.543 nan 8.150 nan 0.000 0.416 138 T N -2.823 111.734 114.554 0.005 0.000 2.645 138 T HA 0.578 4.928 4.350 -0.000 0.000 0.300 138 T C -1.206 173.499 174.700 0.007 0.000 1.210 138 T CA -0.034 62.067 62.100 0.003 0.000 1.034 138 T CB 0.362 69.230 68.868 0.001 0.000 1.537 138 T HN 0.818 nan 8.240 nan 0.000 0.492 139 D N 0.413 120.821 120.400 0.013 0.000 2.894 139 D HA 0.062 4.702 4.640 -0.000 0.000 0.216 139 D C 0.451 176.776 176.300 0.041 0.000 1.245 139 D CA 1.627 55.644 54.000 0.028 0.000 0.728 139 D CB -1.183 39.634 40.800 0.029 0.000 0.924 139 D HN 0.963 nan 8.370 nan 0.000 0.395 140 G N -0.081 108.736 108.800 0.028 0.000 2.552 140 G HA2 0.727 4.687 3.960 -0.000 0.000 0.324 140 G HA3 0.727 4.687 3.960 -0.000 0.000 0.324 140 G C -0.558 174.379 174.900 0.061 0.000 1.217 140 G CA -0.803 44.297 45.100 0.000 0.000 0.989 140 G HN 0.516 nan 8.290 nan 0.000 0.490 141 H N -2.223 116.844 119.070 -0.005 0.000 3.064 141 H HA 0.726 5.282 4.556 -0.000 0.000 0.352 141 H C -1.730 173.598 175.328 -0.001 0.000 1.260 141 H CA -1.030 55.017 56.048 -0.002 0.000 1.160 141 H CB 1.140 30.902 29.762 0.001 0.000 1.879 141 H HN 0.509 nan 8.280 nan 0.000 0.544 142 L N 1.003 122.330 121.223 0.174 0.000 2.303 142 L HA 0.547 4.887 4.340 -0.000 0.000 0.256 142 L C -0.705 176.262 176.870 0.162 0.000 1.034 142 L CA -0.956 53.956 54.840 0.119 0.000 0.832 142 L CB 2.618 44.701 42.059 0.040 0.000 1.403 142 L HN 0.768 nan 8.230 nan 0.000 0.419 143 E N 0.495 120.765 120.200 0.117 0.000 2.199 143 E HA 0.444 4.794 4.350 -0.000 0.000 0.265 143 E C -1.209 175.430 176.600 0.064 0.000 0.882 143 E CA -0.499 55.954 56.400 0.088 0.000 0.759 143 E CB 2.363 32.114 29.700 0.085 0.000 1.148 143 E HN 0.582 nan 8.360 nan 0.000 0.412 144 T N -0.522 114.063 114.554 0.052 0.000 2.907 144 T HA 0.358 4.708 4.350 -0.000 0.000 0.292 144 T C -2.288 172.433 174.700 0.035 0.000 1.043 144 T CA -2.378 59.749 62.100 0.045 0.000 1.003 144 T CB 1.848 70.741 68.868 0.043 0.000 1.084 144 T HN -0.011 nan 8.240 nan 0.000 0.483 145 P HA -0.160 nan 4.420 nan 0.000 0.217 145 P C 1.466 178.780 177.300 0.024 0.000 1.148 145 P CA 1.078 64.192 63.100 0.023 0.000 0.834 145 P CB 0.041 31.752 31.700 0.018 0.000 0.783 146 Q N -0.954 118.863 119.800 0.028 0.000 2.482 146 Q HA 0.227 4.567 4.340 -0.000 0.000 0.209 146 Q C 1.150 177.166 176.000 0.027 0.000 0.961 146 Q CA 0.984 56.805 55.803 0.030 0.000 0.945 146 Q CB -0.387 28.372 28.738 0.037 0.000 1.012 146 Q HN 0.217 nan 8.270 nan 0.000 0.515 147 G N -0.192 108.623 108.800 0.025 0.000 2.347 147 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.341 147 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.341 147 G C -1.294 173.621 174.900 0.024 0.000 1.287 147 G CA -0.689 44.424 45.100 0.021 0.000 0.984 147 G HN -0.048 nan 8.290 nan 0.000 0.526 148 T N 0.388 114.951 114.554 0.016 0.000 2.749 148 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 148 T C 0.167 174.887 174.700 0.033 0.000 0.936 148 T CA -0.105 62.009 62.100 0.023 0.000 1.060 148 T CB 1.182 70.038 68.868 -0.021 0.000 0.904 148 T HN 0.749 nan 8.240 nan 0.000 0.500 149 V N 6.012 125.959 119.914 0.055 0.000 2.435 149 V HA 0.379 4.499 4.120 -0.000 0.000 0.290 149 V C 0.134 176.270 176.094 0.070 0.000 1.030 149 V CA -0.940 61.390 62.300 0.049 0.000 0.881 149 V CB 1.681 33.527 31.823 0.038 0.000 0.983 149 V HN 0.782 nan 8.190 nan 0.000 0.445 150 K N 5.601 126.033 120.400 0.054 0.000 2.174 150 K HA 0.650 4.970 4.320 -0.000 0.000 0.275 150 K C -0.962 175.659 176.600 0.035 0.000 1.015 150 K CA -0.446 55.878 56.287 0.061 0.000 0.933 150 K CB 1.559 34.087 32.500 0.046 0.000 1.025 150 K HN 0.458 nan 8.250 nan 0.000 0.463 151 I N 3.492 124.080 120.570 0.031 0.000 2.371 151 I HA 0.041 4.211 4.170 -0.000 0.000 0.282 151 I C 1.157 177.276 176.117 0.003 0.000 1.031 151 I CA -0.425 60.877 61.300 0.003 0.000 1.180 151 I CB 1.133 39.122 38.000 -0.017 0.000 1.336 151 I HN 0.731 nan 8.210 nan 0.000 0.467 152 E N 4.558 124.758 120.200 0.000 0.000 2.012 152 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 152 E C 0.063 176.661 176.600 -0.002 0.000 1.007 152 E CA 1.223 57.623 56.400 0.001 0.000 0.816 152 E CB 0.120 29.820 29.700 -0.001 0.000 0.762 152 E HN 0.615 nan 8.360 nan 0.000 0.451 153 N N -0.283 118.412 118.700 -0.008 0.000 2.329 153 N HA 0.381 5.121 4.740 -0.000 0.000 0.282 153 N C -1.245 174.259 175.510 -0.010 0.000 1.198 153 N CA -0.465 52.582 53.050 -0.005 0.000 0.790 153 N CB 2.451 40.937 38.487 -0.001 0.000 1.579 153 N HN -0.029 nan 8.380 nan 0.000 0.475 154 L N 0.977 122.201 121.223 0.001 0.000 2.372 154 L HA 0.559 4.899 4.340 -0.000 0.000 0.274 154 L C -1.169 175.722 176.870 0.034 0.000 0.988 154 L CA -0.396 54.444 54.840 -0.000 0.000 0.833 154 L CB 0.748 42.799 42.059 -0.013 0.000 1.236 154 L HN 0.593 nan 8.230 nan 0.000 0.410 155 C N 4.157 123.481 119.300 0.039 0.000 2.454 155 C HA 0.631 5.091 4.460 -0.000 0.000 0.336 155 C C -0.322 174.713 174.990 0.076 0.000 1.189 155 C CA -0.798 58.273 59.018 0.089 0.000 1.877 155 C CB 1.556 29.347 27.740 0.085 0.000 2.348 155 C HN 0.643 nan 8.230 nan 0.000 0.508 156 L N 3.537 124.835 121.223 0.125 0.000 2.318 156 L HA 0.547 4.887 4.340 -0.000 0.000 0.277 156 L C -0.164 176.766 176.870 0.099 0.000 1.008 156 L CA 0.270 55.130 54.840 0.034 0.000 0.846 156 L CB 0.335 42.334 42.059 -0.099 0.000 1.220 156 L HN 0.918 nan 8.230 nan 0.000 0.423 157 E N 2.617 122.850 120.200 0.054 0.000 2.423 157 E HA 0.593 4.942 4.350 -0.000 0.000 0.269 157 E C -1.447 175.161 176.600 0.013 0.000 0.948 157 E CA -1.058 55.395 56.400 0.088 0.000 0.802 157 E CB 1.424 31.190 29.700 0.110 0.000 1.339 157 E HN 0.548 nan 8.360 nan 0.000 0.445 158 E N 1.031 121.259 120.200 0.048 0.000 2.227 158 E HA 0.207 4.557 4.350 -0.000 0.000 0.282 158 E C -0.685 175.916 176.600 0.002 0.000 1.015 158 E CA -0.861 55.538 56.400 -0.003 0.000 0.823 158 E CB 1.015 30.738 29.700 0.038 0.000 1.081 158 E HN 0.386 nan 8.360 nan 0.000 0.396 159 D N 1.553 121.940 120.400 -0.022 0.000 2.362 159 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 159 D C -0.531 175.753 176.300 -0.026 0.000 1.212 159 D CA 0.073 54.059 54.000 -0.024 0.000 0.902 159 D CB 1.012 41.794 40.800 -0.029 0.000 1.180 159 D HN 0.560 nan 8.370 nan 0.000 0.445 160 A N 0.852 123.652 122.820 -0.034 0.000 2.248 160 A HA 0.681 5.001 4.320 -0.000 0.000 0.316 160 A C -0.209 177.364 177.584 -0.019 0.000 1.101 160 A CA -0.103 51.906 52.037 -0.048 0.000 0.875 160 A CB 0.565 19.526 19.000 -0.066 0.000 1.207 160 A HN 0.619 nan 8.150 nan 0.000 0.504 161 A N 0.173 122.976 122.820 -0.029 0.000 2.386 161 A HA 0.549 4.869 4.320 -0.000 0.000 0.248 161 A C 0.536 178.230 177.584 0.183 0.000 1.082 161 A CA -0.293 51.785 52.037 0.068 0.000 0.789 161 A CB -0.009 19.035 19.000 0.074 0.000 1.025 161 A HN 0.931 nan 8.150 nan 0.000 0.490 162 R N 1.595 122.207 120.500 0.187 0.000 2.428 162 R HA 0.535 4.875 4.340 -0.000 0.000 0.294 162 R C -0.037 176.338 176.300 0.124 0.000 1.000 162 R CA -0.779 55.409 56.100 0.146 0.000 0.960 162 R CB 0.905 31.242 30.300 0.062 0.000 1.076 162 R HN 0.811 nan 8.270 nan 0.000 0.475 163 R N 2.086 122.561 120.500 -0.042 0.000 2.649 163 R HA 0.310 4.650 4.340 -0.000 0.000 0.270 163 R C 0.212 176.386 176.300 -0.210 0.000 1.105 163 R CA -0.605 55.274 56.100 -0.369 0.000 1.193 163 R CB 0.376 30.346 30.300 -0.549 0.000 1.120 163 R HN 0.756 nan 8.270 nan 0.000 0.561 164 I N -1.596 118.824 120.570 -0.250 0.000 5.007 164 I HA 0.160 4.330 4.170 -0.000 0.000 0.323 164 I C -0.069 175.964 176.117 -0.140 0.000 1.195 164 I CA -0.211 61.004 61.300 -0.142 0.000 1.407 164 I CB 0.689 38.636 38.000 -0.088 0.000 1.544 164 I HN 0.508 nan 8.210 nan 0.000 0.505 165 R N 0.507 120.898 120.500 -0.183 0.000 2.734 165 R HA 0.504 4.844 4.340 -0.000 0.000 0.271 165 R C -1.256 174.945 176.300 -0.165 0.000 1.021 165 R CA -0.579 55.435 56.100 -0.143 0.000 0.893 165 R CB 2.155 32.390 30.300 -0.108 0.000 1.244 165 R HN -0.101 nan 8.270 nan 0.000 0.464 166 E N 0.581 120.708 120.200 -0.120 0.000 2.260 166 E HA 0.474 4.824 4.350 -0.000 0.000 0.266 166 E C -1.230 175.321 176.600 -0.082 0.000 0.887 166 E CA -0.363 55.976 56.400 -0.103 0.000 0.777 166 E CB 1.780 31.428 29.700 -0.087 0.000 1.205 166 E HN 0.566 nan 8.360 nan 0.000 0.414 167 T N 1.345 115.850 114.554 -0.083 0.000 2.773 167 T HA 0.358 4.708 4.350 -0.000 0.000 0.278 167 T C 1.030 175.686 174.700 -0.074 0.000 1.011 167 T CA -0.271 61.780 62.100 -0.081 0.000 1.014 167 T CB 1.281 70.086 68.868 -0.106 0.000 1.293 167 T HN 0.528 nan 8.240 nan 0.000 0.554 168 G N -0.158 108.597 108.800 -0.076 0.000 2.471 168 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 168 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 168 G C 0.699 175.539 174.900 -0.100 0.000 1.125 168 G CA 0.562 45.617 45.100 -0.074 0.000 0.775 168 G HN 0.694 nan 8.290 nan 0.000 0.548 169 D N -0.037 120.287 120.400 -0.127 0.000 2.561 169 D HA 0.409 5.049 4.640 -0.000 0.000 0.232 169 D C 1.153 177.417 176.300 -0.059 0.000 1.198 169 D CA 0.779 54.673 54.000 -0.177 0.000 0.826 169 D CB -0.453 40.216 40.800 -0.219 0.000 0.992 169 D HN 0.429 nan 8.370 nan 0.000 0.490 170 G N -0.514 108.269 108.800 -0.028 0.000 2.796 170 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.571 170 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.571 170 G C -0.182 174.741 174.900 0.038 0.000 1.370 170 G CA -0.491 44.643 45.100 0.057 0.000 0.856 170 G HN 0.684 nan 8.290 nan 0.000 0.538 171 V N -0.760 119.217 119.914 0.105 0.000 3.133 171 V HA 0.691 4.811 4.120 -0.000 0.000 0.305 171 V C 0.582 176.604 176.094 -0.121 0.000 1.084 171 V CA 0.260 62.522 62.300 -0.064 0.000 1.089 171 V CB 1.455 33.183 31.823 -0.158 0.000 1.073 171 V HN 1.519 nan 8.190 nan 0.000 0.477 172 V N 5.427 125.134 119.914 -0.346 0.000 2.483 172 V HA 0.512 4.632 4.120 -0.000 0.000 0.297 172 V C -0.617 175.207 176.094 -0.450 0.000 1.027 172 V CA -0.337 61.800 62.300 -0.272 0.000 0.855 172 V CB 1.091 32.825 31.823 -0.149 0.000 0.995 172 V HN 0.774 nan 8.190 nan 0.000 0.424 173 F N 2.887 122.694 119.950 -0.238 0.000 2.470 173 F HA 0.707 5.234 4.527 -0.000 0.000 0.329 173 F C 0.436 176.205 175.800 -0.052 0.000 1.072 173 F CA -0.665 57.232 58.000 -0.171 0.000 0.989 173 F CB 1.689 40.538 39.000 -0.251 0.000 1.193 173 F HN 0.350 nan 8.300 nan 0.000 0.481 174 R N 2.202 122.826 120.500 0.207 0.000 2.393 174 R HA 0.488 4.827 4.340 -0.000 0.000 0.310 174 R C -0.179 176.246 176.300 0.208 0.000 0.968 174 R CA -0.474 55.736 56.100 0.182 0.000 0.867 174 R CB 0.861 31.256 30.300 0.159 0.000 1.124 174 R HN 0.857 nan 8.270 nan 0.000 0.450 175 L N 3.798 125.145 121.223 0.206 0.000 2.627 175 L HA 0.002 4.342 4.340 -0.000 0.000 0.233 175 L C 1.093 178.040 176.870 0.127 0.000 1.144 175 L CA 0.042 54.975 54.840 0.156 0.000 0.892 175 L CB -0.278 41.853 42.059 0.120 0.000 1.039 175 L HN 0.761 nan 8.230 nan 0.000 0.442 176 D N 0.194 120.685 120.400 0.153 0.000 2.149 176 D HA -0.230 4.410 4.640 -0.000 0.000 0.201 176 D C 2.071 178.389 176.300 0.030 0.000 0.972 176 D CA 0.984 55.030 54.000 0.077 0.000 0.835 176 D CB -0.142 40.681 40.800 0.038 0.000 0.966 176 D HN 0.196 nan 8.370 nan 0.000 0.476 177 R N -0.087 120.436 120.500 0.039 0.000 2.153 177 R HA 0.145 4.485 4.340 -0.000 0.000 0.218 177 R C 0.987 177.289 176.300 0.003 0.000 1.072 177 R CA -0.252 55.856 56.100 0.013 0.000 0.990 177 R CB -0.235 30.076 30.300 0.019 0.000 0.889 177 R HN 0.237 nan 8.270 nan 0.000 0.452 178 L N 0.960 122.191 121.223 0.014 0.000 2.559 178 L HA -0.040 4.300 4.340 -0.000 0.000 0.274 178 L C 0.725 177.584 176.870 -0.018 0.000 1.205 178 L CA 1.198 56.032 54.840 -0.009 0.000 0.907 178 L CB 0.497 42.548 42.059 -0.014 0.000 1.153 178 L HN 0.619 nan 8.230 nan 0.000 0.490 179 G N 4.256 113.041 108.800 -0.024 0.000 2.213 179 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.236 179 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.236 179 G C 0.303 175.161 174.900 -0.071 0.000 0.991 179 G CA 0.001 45.079 45.100 -0.036 0.000 0.629 179 G HN 0.554 nan 8.290 nan 0.000 0.517 180 I N 3.124 123.660 120.570 -0.057 0.000 2.668 180 I HA 0.157 4.327 4.170 -0.000 0.000 0.285 180 I C -1.648 174.419 176.117 -0.083 0.000 1.168 180 I CA -1.538 59.722 61.300 -0.067 0.000 1.424 180 I CB 0.760 38.732 38.000 -0.048 0.000 1.377 180 I HN -0.066 nan 8.210 nan 0.000 0.560 181 P HA 0.040 nan 4.420 nan 0.000 0.262 181 P C -0.871 176.380 177.300 -0.082 0.000 1.182 181 P CA 0.110 63.131 63.100 -0.132 0.000 0.761 181 P CB 0.476 32.085 31.700 -0.152 0.000 0.795 182 L N 4.369 125.554 121.223 -0.063 0.000 2.371 182 L HA 0.574 4.914 4.340 -0.000 0.000 0.262 182 L C -0.796 176.069 176.870 -0.010 0.000 1.006 182 L CA -0.665 54.164 54.840 -0.017 0.000 0.818 182 L CB 2.474 44.545 42.059 0.019 0.000 1.354 182 L HN 0.163 nan 8.230 nan 0.000 0.415 183 V N -0.710 119.206 119.914 0.003 0.000 2.409 183 V HA 0.608 4.728 4.120 -0.000 0.000 0.290 183 V C -0.468 175.624 176.094 -0.003 0.000 1.017 183 V CA -0.631 61.664 62.300 -0.008 0.000 0.841 183 V CB 1.330 33.131 31.823 -0.037 0.000 1.003 183 V HN 0.762 nan 8.190 nan 0.000 0.426 184 E N 5.141 125.344 120.200 0.005 0.000 2.115 184 E HA 0.555 4.905 4.350 -0.000 0.000 0.282 184 E C -0.863 175.690 176.600 -0.079 0.000 0.987 184 E CA -0.397 55.970 56.400 -0.054 0.000 0.797 184 E CB 1.942 31.655 29.700 0.021 0.000 1.086 184 E HN 0.745 nan 8.360 nan 0.000 0.397 185 I N 3.308 123.799 120.570 -0.132 0.000 2.339 185 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 185 I C 0.117 176.168 176.117 -0.110 0.000 0.994 185 I CA -0.500 60.741 61.300 -0.097 0.000 1.191 185 I CB 1.501 39.447 38.000 -0.089 0.000 1.343 185 I HN 0.391 nan 8.210 nan 0.000 0.458 186 T N 1.855 116.367 114.554 -0.070 0.000 2.940 186 T HA 0.740 5.090 4.350 -0.000 0.000 0.288 186 T C -0.031 174.647 174.700 -0.037 0.000 1.033 186 T CA -0.790 61.276 62.100 -0.057 0.000 1.033 186 T CB 1.983 70.829 68.868 -0.036 0.000 1.079 186 T HN 0.663 nan 8.240 nan 0.000 0.496 187 T N -1.874 112.662 114.554 -0.030 0.000 2.887 187 T HA 0.474 4.824 4.350 -0.000 0.000 0.292 187 T C -0.710 173.984 174.700 -0.009 0.000 1.087 187 T CA -0.950 61.140 62.100 -0.016 0.000 1.009 187 T CB 1.508 70.367 68.868 -0.016 0.000 1.203 187 T HN 0.620 nan 8.240 nan 0.000 0.518 188 D N 1.350 121.749 120.400 -0.000 0.000 2.648 188 D HA 0.041 4.681 4.640 -0.000 0.000 0.229 188 D C -1.788 174.510 176.300 -0.003 0.000 1.119 188 D CA -0.987 53.014 54.000 0.002 0.000 0.850 188 D CB 0.964 41.769 40.800 0.007 0.000 1.169 188 D HN 0.237 nan 8.370 nan 0.000 0.489 189 P HA 0.136 nan 4.420 nan 0.000 0.256 189 P C -0.967 176.330 177.300 -0.004 0.000 1.384 189 P CA 0.046 63.143 63.100 -0.004 0.000 0.879 189 P CB 0.301 32.001 31.700 0.000 0.000 1.403 190 S N -0.674 115.025 115.700 -0.002 0.000 2.259 190 S HA 0.338 4.808 4.470 -0.000 0.000 0.181 190 S C 0.646 175.246 174.600 -0.000 0.000 1.589 190 S CA -0.600 57.600 58.200 0.000 0.000 1.234 190 S CB 0.394 63.598 63.200 0.008 0.000 1.119 190 S HN -0.163 nan 8.310 nan 0.000 0.458 191 M N 1.329 120.922 119.600 -0.012 0.000 2.257 191 M HA 0.181 4.661 4.480 -0.000 0.000 0.260 191 M C 1.884 178.183 176.300 -0.002 0.000 1.102 191 M CA 1.107 56.400 55.300 -0.011 0.000 1.169 191 M CB -1.460 31.122 32.600 -0.029 0.000 1.323 191 M HN 0.720 nan 8.290 nan 0.000 0.447 192 S N -0.244 115.445 115.700 -0.019 0.000 2.261 192 S HA -0.194 4.276 4.470 -0.000 0.000 0.247 192 S C 0.167 174.781 174.600 0.023 0.000 1.195 192 S CA 1.506 59.716 58.200 0.016 0.000 1.464 192 S CB -1.220 62.016 63.200 0.060 0.000 1.835 192 S HN 0.548 nan 8.310 nan 0.000 0.598 193 D N 0.967 121.364 120.400 -0.006 0.000 2.438 193 D HA 0.552 5.192 4.640 -0.000 0.000 0.257 193 D C -1.295 174.973 176.300 -0.053 0.000 1.148 193 D CA -2.081 51.933 54.000 0.022 0.000 0.902 193 D CB 1.386 42.223 40.800 0.062 0.000 1.062 193 D HN 0.105 nan 8.370 nan 0.000 0.518 194 P HA -0.236 nan 4.420 nan 0.000 0.218 194 P C 1.388 178.659 177.300 -0.047 0.000 1.154 194 P CA 0.952 63.951 63.100 -0.169 0.000 0.872 194 P CB 0.284 31.810 31.700 -0.291 0.000 0.790 195 Q N -0.422 119.387 119.800 0.016 0.000 2.135 195 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 195 Q C 2.174 178.186 176.000 0.018 0.000 0.981 195 Q CA 1.691 57.512 55.803 0.031 0.000 0.856 195 Q CB -0.608 28.165 28.738 0.058 0.000 0.902 195 Q HN 0.402 nan 8.270 nan 0.000 0.425 196 Q N -0.546 119.265 119.800 0.018 0.000 2.172 196 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 196 Q C 2.143 178.150 176.000 0.012 0.000 0.964 196 Q CA 0.630 56.444 55.803 0.019 0.000 0.855 196 Q CB 0.034 28.785 28.738 0.022 0.000 0.918 196 Q HN 0.310 nan 8.270 nan 0.000 0.444 197 L N 0.656 121.875 121.223 -0.007 0.000 2.027 197 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 197 L C 2.611 179.486 176.870 0.009 0.000 1.074 197 L CA 1.636 56.469 54.840 -0.010 0.000 0.745 197 L CB -0.302 41.734 42.059 -0.038 0.000 0.898 197 L HN 0.145 nan 8.230 nan 0.000 0.433 198 R N -0.631 119.874 120.500 0.010 0.000 2.105 198 R HA -0.255 4.085 4.340 -0.000 0.000 0.239 198 R C 2.198 178.538 176.300 0.067 0.000 1.135 198 R CA 1.760 57.879 56.100 0.031 0.000 0.967 198 R CB -0.169 30.141 30.300 0.015 0.000 0.861 198 R HN 0.353 nan 8.270 nan 0.000 0.442 199 E N -0.165 120.067 120.200 0.054 0.000 2.077 199 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 199 E C 1.750 178.419 176.600 0.115 0.000 0.989 199 E CA 1.584 58.033 56.400 0.082 0.000 0.800 199 E CB 0.024 29.754 29.700 0.051 0.000 0.746 199 E HN 0.231 nan 8.360 nan 0.000 0.452 200 V N 0.591 120.547 119.914 0.069 0.000 2.488 200 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 200 V C 2.361 178.480 176.094 0.041 0.000 1.046 200 V CA 1.423 63.753 62.300 0.050 0.000 1.053 200 V CB -0.918 30.919 31.823 0.025 0.000 0.679 200 V HN 0.399 nan 8.190 nan 0.000 0.458 201 A N -0.319 122.529 122.820 0.046 0.000 1.883 201 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 201 A C 2.182 179.793 177.584 0.045 0.000 1.186 201 A CA 2.332 54.389 52.037 0.032 0.000 0.624 201 A CB -0.817 18.206 19.000 0.037 0.000 0.822 201 A HN 0.630 nan 8.150 nan 0.000 0.444 202 Y N 0.386 120.679 120.300 -0.013 0.000 2.089 202 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 202 Y C 2.656 178.549 175.900 -0.011 0.000 1.139 202 Y CA 2.279 60.373 58.100 -0.010 0.000 1.123 202 Y CB -0.536 37.920 38.460 -0.006 0.000 0.980 202 Y HN 0.372 nan 8.280 nan 0.000 0.493 203 Q N 0.290 120.088 119.800 -0.003 0.000 2.029 203 Q HA -0.282 4.058 4.340 -0.000 0.000 0.209 203 Q C 2.448 178.360 176.000 -0.147 0.000 0.999 203 Q CA 2.620 58.379 55.803 -0.074 0.000 0.857 203 Q CB -0.704 28.054 28.738 0.034 0.000 0.926 203 Q HN 0.620 nan 8.270 nan 0.000 0.415 204 I N 0.306 120.819 120.570 -0.094 0.000 2.118 204 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 204 I C 2.422 178.460 176.117 -0.133 0.000 1.070 204 I CA 1.426 62.670 61.300 -0.094 0.000 1.327 204 I CB -0.810 37.150 38.000 -0.067 0.000 1.034 204 I HN 0.321 nan 8.210 nan 0.000 0.405 205 G N -0.224 108.476 108.800 -0.168 0.000 2.476 205 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 205 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 205 G C 1.553 176.316 174.900 -0.228 0.000 1.164 205 G CA 0.506 45.493 45.100 -0.187 0.000 0.768 205 G HN 0.320 nan 8.290 nan 0.000 0.560 206 Q N -0.003 119.589 119.800 -0.347 0.000 2.167 206 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 206 Q C 2.738 178.642 176.000 -0.160 0.000 0.970 206 Q CA 0.728 56.362 55.803 -0.282 0.000 0.855 206 Q CB -0.133 28.390 28.738 -0.359 0.000 0.911 206 Q HN 0.620 nan 8.270 nan 0.000 0.438 207 I N 0.134 120.621 120.570 -0.140 0.000 2.233 207 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 207 I C 2.254 178.319 176.117 -0.086 0.000 1.093 207 I CA 0.679 61.921 61.300 -0.096 0.000 1.380 207 I CB -0.328 37.621 38.000 -0.085 0.000 1.067 207 I HN 0.113 nan 8.210 nan 0.000 0.413 208 L N 0.469 121.637 121.223 -0.090 0.000 2.081 208 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 208 L C 2.356 179.184 176.870 -0.070 0.000 1.080 208 L CA 1.480 56.274 54.840 -0.076 0.000 0.754 208 L CB -0.513 41.502 42.059 -0.073 0.000 0.893 208 L HN 0.197 nan 8.230 nan 0.000 0.433 209 R N -0.495 119.957 120.500 -0.081 0.000 2.328 209 R HA -0.026 4.314 4.340 -0.000 0.000 0.200 209 R C 1.838 178.102 176.300 -0.059 0.000 0.983 209 R CA 0.791 56.850 56.100 -0.069 0.000 1.062 209 R CB -0.037 30.215 30.300 -0.079 0.000 0.956 209 R HN 0.397 nan 8.270 nan 0.000 0.479 210 S N -1.872 113.792 115.700 -0.060 0.000 2.540 210 S HA 0.130 4.600 4.470 -0.000 0.000 0.218 210 S C 0.552 175.126 174.600 -0.043 0.000 0.977 210 S CA -0.427 57.744 58.200 -0.048 0.000 0.918 210 S CB 0.686 63.856 63.200 -0.049 0.000 0.806 210 S HN -0.083 nan 8.310 nan 0.000 0.496 211 T N 1.516 116.041 114.554 -0.047 0.000 2.926 211 T HA 0.456 4.806 4.350 -0.000 0.000 0.289 211 T C -0.484 174.189 174.700 -0.044 0.000 1.054 211 T CA -0.972 61.100 62.100 -0.046 0.000 1.015 211 T CB 1.156 69.993 68.868 -0.052 0.000 1.167 211 T HN 0.057 nan 8.240 nan 0.000 0.526 212 R N 1.269 121.743 120.500 -0.044 0.000 2.540 212 R HA 0.355 4.695 4.340 -0.000 0.000 0.317 212 R C -0.824 175.447 176.300 -0.047 0.000 1.233 212 R CA -0.007 56.067 56.100 -0.043 0.000 1.003 212 R CB -0.803 29.471 30.300 -0.044 0.000 1.034 212 R HN 0.259 nan 8.270 nan 0.000 0.483 213 V N 2.488 122.376 119.914 -0.044 0.000 2.962 213 V HA 0.274 4.394 4.120 -0.000 0.000 0.313 213 V C -0.001 176.069 176.094 -0.039 0.000 1.099 213 V CA -1.288 60.985 62.300 -0.045 0.000 0.971 213 V CB 2.320 34.116 31.823 -0.046 0.000 1.028 213 V HN 0.432 nan 8.190 nan 0.000 0.430 214 K N 2.470 122.847 120.400 -0.038 0.000 2.401 214 K HA 0.385 4.705 4.320 -0.000 0.000 0.278 214 K C -0.348 176.234 176.600 -0.030 0.000 1.018 214 K CA 0.064 56.331 56.287 -0.034 0.000 0.981 214 K CB 0.561 33.041 32.500 -0.032 0.000 0.933 214 K HN 0.531 nan 8.250 nan 0.000 0.477 215 R N 0.868 121.351 120.500 -0.028 0.000 2.439 215 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 215 R C 0.147 176.433 176.300 -0.024 0.000 0.955 215 R CA -0.521 55.563 56.100 -0.026 0.000 0.853 215 R CB 1.758 32.042 30.300 -0.026 0.000 1.171 215 R HN 0.913 nan 8.270 nan 0.000 0.449 216 G N 1.240 110.028 108.800 -0.021 0.000 2.373 216 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.250 216 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.250 216 G C -0.101 174.788 174.900 -0.017 0.000 1.304 216 G CA -0.900 44.188 45.100 -0.020 0.000 0.948 216 G HN 0.372 nan 8.290 nan 0.000 0.474 217 L N 0.802 122.015 121.223 -0.017 0.000 1.863 217 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 217 L C 3.172 180.033 176.870 -0.015 0.000 1.098 217 L CA 1.754 56.585 54.840 -0.015 0.000 0.814 217 L CB -0.915 41.134 42.059 -0.016 0.000 0.888 217 L HN 0.809 nan 8.230 nan 0.000 0.431 218 G N -1.158 107.633 108.800 -0.016 0.000 2.537 218 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 218 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 218 G C 1.343 176.234 174.900 -0.014 0.000 1.111 218 G CA 1.210 46.301 45.100 -0.016 0.000 0.748 218 G HN 0.414 nan 8.290 nan 0.000 0.564 219 T N 1.092 115.637 114.554 -0.014 0.000 2.450 219 T HA -0.175 4.175 4.350 -0.000 0.000 0.250 219 T C 1.331 176.030 174.700 -0.001 0.000 1.264 219 T CA 1.251 63.344 62.100 -0.012 0.000 1.191 219 T CB -0.195 68.664 68.868 -0.016 0.000 0.862 219 T HN 0.242 nan 8.240 nan 0.000 0.411 220 I N 0.198 120.770 120.570 0.003 0.000 2.834 220 I HA 0.455 4.625 4.170 -0.000 0.000 0.305 220 I C 0.440 176.580 176.117 0.037 0.000 1.008 220 I CA -0.498 60.814 61.300 0.019 0.000 1.273 220 I CB 0.811 38.814 38.000 0.006 0.000 1.432 220 I HN 0.087 nan 8.210 nan 0.000 0.557 221 R N 3.037 123.588 120.500 0.085 0.000 2.659 221 R HA 0.266 4.606 4.340 -0.000 0.000 0.290 221 R C -1.555 174.859 176.300 0.190 0.000 1.253 221 R CA -0.596 55.575 56.100 0.120 0.000 1.010 221 R CB 1.670 32.028 30.300 0.098 0.000 1.236 221 R HN 0.629 nan 8.270 nan 0.000 0.413 222 Q N 1.979 121.837 119.800 0.096 0.000 2.293 222 Q HA 0.371 4.711 4.340 -0.000 0.000 0.261 222 Q C -1.095 174.945 176.000 0.067 0.000 0.960 222 Q CA -0.803 55.038 55.803 0.064 0.000 0.882 222 Q CB 2.458 31.210 28.738 0.023 0.000 1.275 222 Q HN 0.331 nan 8.270 nan 0.000 0.445 223 D N 3.328 123.768 120.400 0.066 0.000 2.620 223 D HA 0.322 4.962 4.640 -0.000 0.000 0.252 223 D C -0.856 175.457 176.300 0.022 0.000 1.207 223 D CA -0.370 53.665 54.000 0.058 0.000 0.884 223 D CB 1.766 42.633 40.800 0.112 0.000 1.262 223 D HN 0.458 nan 8.370 nan 0.000 0.552 224 L N 0.200 121.426 121.223 0.006 0.000 2.334 224 L HA 0.700 5.040 4.340 -0.000 0.000 0.272 224 L C -0.972 175.893 176.870 -0.009 0.000 1.020 224 L CA -0.769 54.065 54.840 -0.010 0.000 0.812 224 L CB 1.549 43.594 42.059 -0.024 0.000 1.264 224 L HN -0.051 nan 8.230 nan 0.000 0.439 225 N N 3.197 121.888 118.700 -0.014 0.000 2.443 225 N HA 0.527 5.267 4.740 -0.000 0.000 0.269 225 N C -0.984 174.510 175.510 -0.026 0.000 0.985 225 N CA -0.485 52.559 53.050 -0.010 0.000 0.921 225 N CB 1.747 40.235 38.487 0.001 0.000 1.195 225 N HN 0.449 nan 8.380 nan 0.000 0.492 226 I N 0.927 121.480 120.570 -0.029 0.000 2.428 226 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 226 I C 0.557 176.659 176.117 -0.026 0.000 1.019 226 I CA -0.208 61.063 61.300 -0.049 0.000 1.351 226 I CB 1.018 38.983 38.000 -0.058 0.000 1.412 226 I HN 0.440 nan 8.210 nan 0.000 0.513 227 S N 6.369 122.051 115.700 -0.031 0.000 2.542 227 S HA 0.852 5.322 4.470 -0.000 0.000 0.293 227 S C -0.939 173.664 174.600 0.005 0.000 1.089 227 S CA -0.456 57.741 58.200 -0.005 0.000 0.961 227 S CB 1.326 64.526 63.200 -0.000 0.000 1.062 227 S HN 0.287 nan 8.310 nan 0.000 0.483 228 I N 2.928 123.513 120.570 0.025 0.000 2.534 228 I HA 0.501 4.671 4.170 -0.000 0.000 0.288 228 I C 0.080 176.224 176.117 0.044 0.000 1.077 228 I CA -0.592 60.735 61.300 0.045 0.000 1.051 228 I CB 1.755 39.786 38.000 0.052 0.000 1.234 228 I HN 0.666 nan 8.210 nan 0.000 0.425 229 R N 4.862 125.394 120.500 0.052 0.000 2.538 229 R HA 0.044 4.384 4.340 -0.000 0.000 0.282 229 R C -0.211 176.112 176.300 0.039 0.000 1.009 229 R CA 0.720 56.846 56.100 0.043 0.000 1.063 229 R CB 0.092 30.420 30.300 0.046 0.000 0.945 229 R HN 0.798 nan 8.270 nan 0.000 0.414 230 D N 1.241 121.659 120.400 0.031 0.000 3.059 230 D HA -0.190 4.450 4.640 -0.000 0.000 0.220 230 D C 0.322 176.639 176.300 0.029 0.000 1.169 230 D CA 1.342 55.358 54.000 0.027 0.000 0.902 230 D CB -0.983 39.831 40.800 0.025 0.000 1.116 230 D HN 0.806 nan 8.370 nan 0.000 0.417 231 G N -0.214 108.605 108.800 0.032 0.000 3.434 231 G HA2 0.774 4.734 3.960 -0.000 0.000 0.197 231 G HA3 0.774 4.734 3.960 -0.000 0.000 0.197 231 G C -0.424 174.495 174.900 0.031 0.000 1.559 231 G CA 0.579 45.699 45.100 0.034 0.000 0.852 231 G HN 0.658 nan 8.290 nan 0.000 0.682 232 A N -1.156 121.683 122.820 0.032 0.000 2.601 232 A HA 0.655 4.975 4.320 -0.000 0.000 0.291 232 A C -0.962 176.641 177.584 0.032 0.000 1.075 232 A CA -0.775 51.282 52.037 0.033 0.000 0.671 232 A CB 0.796 19.819 19.000 0.038 0.000 1.277 232 A HN 0.838 nan 8.150 nan 0.000 0.417 233 R N 0.567 121.087 120.500 0.033 0.000 2.267 233 R HA 0.651 4.991 4.340 -0.000 0.000 0.319 233 R C -1.093 175.230 176.300 0.038 0.000 1.067 233 R CA -0.414 55.704 56.100 0.030 0.000 0.936 233 R CB 0.804 31.122 30.300 0.030 0.000 1.006 233 R HN 0.317 nan 8.270 nan 0.000 0.452 234 V N 3.010 122.943 119.914 0.032 0.000 2.733 234 V HA 0.180 4.300 4.120 -0.000 0.000 0.306 234 V C -0.522 175.589 176.094 0.027 0.000 1.084 234 V CA -0.962 61.362 62.300 0.040 0.000 0.905 234 V CB 2.047 33.898 31.823 0.047 0.000 1.010 234 V HN 0.946 nan 8.190 nan 0.000 0.424 235 E N 4.045 124.263 120.200 0.030 0.000 2.175 235 E HA 0.684 5.034 4.350 -0.000 0.000 0.278 235 E C -1.227 175.382 176.600 0.016 0.000 0.969 235 E CA -0.757 55.656 56.400 0.021 0.000 0.796 235 E CB 2.134 31.849 29.700 0.026 0.000 1.104 235 E HN 0.314 nan 8.360 nan 0.000 0.395 236 V N 4.070 123.990 119.914 0.010 0.000 2.385 236 V HA 0.174 4.294 4.120 -0.000 0.000 0.269 236 V C 0.152 176.250 176.094 0.007 0.000 1.043 236 V CA -0.716 61.587 62.300 0.005 0.000 0.906 236 V CB 0.851 32.674 31.823 -0.001 0.000 0.995 236 V HN 0.611 nan 8.190 nan 0.000 0.467 237 K N 3.222 123.621 120.400 -0.001 0.000 2.201 237 K HA 0.472 4.792 4.320 -0.000 0.000 0.278 237 K C 0.772 177.370 176.600 -0.003 0.000 1.027 237 K CA 0.244 56.530 56.287 -0.002 0.000 0.909 237 K CB 1.348 33.834 32.500 -0.022 0.000 1.062 237 K HN 1.060 nan 8.250 nan 0.000 0.465 238 G N 1.836 110.640 108.800 0.008 0.000 2.387 238 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.270 238 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.270 238 G C -0.095 174.808 174.900 0.005 0.000 0.957 238 G CA -0.242 44.862 45.100 0.006 0.000 1.352 238 G HN 0.337 nan 8.290 nan 0.000 0.457 239 V N 4.092 124.013 119.914 0.012 0.000 2.112 239 V HA 0.077 4.197 4.120 -0.000 0.000 0.271 239 V C 1.862 177.962 176.094 0.010 0.000 1.465 239 V CA 0.045 62.350 62.300 0.008 0.000 1.419 239 V CB 0.559 32.385 31.823 0.006 0.000 1.409 239 V HN 0.733 nan 8.190 nan 0.000 0.495 240 Q N 0.843 120.647 119.800 0.007 0.000 2.028 240 Q HA -0.244 4.096 4.340 -0.000 0.000 0.215 240 Q C 1.018 177.025 176.000 0.012 0.000 1.041 240 Q CA 1.689 57.497 55.803 0.008 0.000 0.897 240 Q CB -0.344 28.396 28.738 0.003 0.000 1.017 240 Q HN 0.671 nan 8.270 nan 0.000 0.418 241 D N 0.528 120.935 120.400 0.012 0.000 2.325 241 D HA 0.083 4.723 4.640 -0.000 0.000 0.251 241 D C 0.924 177.236 176.300 0.020 0.000 1.196 241 D CA -0.136 53.874 54.000 0.017 0.000 0.866 241 D CB 1.213 42.021 40.800 0.013 0.000 1.101 241 D HN 0.059 nan 8.370 nan 0.000 0.476 242 L N 4.553 125.796 121.223 0.033 0.000 2.072 242 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 242 L C 1.343 178.231 176.870 0.031 0.000 1.079 242 L CA 1.648 56.512 54.840 0.040 0.000 0.752 242 L CB -0.300 41.804 42.059 0.075 0.000 0.906 242 L HN 0.335 nan 8.230 nan 0.000 0.436 243 D N -0.100 120.316 120.400 0.027 0.000 2.354 243 D HA -0.152 4.488 4.640 -0.000 0.000 0.216 243 D C 1.846 178.151 176.300 0.008 0.000 0.970 243 D CA 1.046 55.052 54.000 0.010 0.000 0.905 243 D CB 0.152 40.955 40.800 0.003 0.000 0.903 243 D HN 0.341 nan 8.370 nan 0.000 0.508 244 L N 0.435 121.665 121.223 0.011 0.000 2.607 244 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 244 L C 1.669 178.542 176.870 0.004 0.000 1.123 244 L CA 0.342 55.187 54.840 0.009 0.000 0.890 244 L CB -0.106 41.959 42.059 0.009 0.000 1.103 244 L HN -0.116 nan 8.230 nan 0.000 0.468 245 I N 0.848 121.419 120.570 0.001 0.000 2.076 245 I HA -0.229 3.941 4.170 -0.000 0.000 0.237 245 I C -0.234 175.868 176.117 -0.024 0.000 1.059 245 I CA 1.509 62.801 61.300 -0.012 0.000 1.317 245 I CB -1.479 36.513 38.000 -0.012 0.000 1.037 245 I HN 0.224 nan 8.210 nan 0.000 0.398 246 P HA -0.239 nan 4.420 nan 0.000 0.217 246 P C 1.369 178.673 177.300 0.007 0.000 1.151 246 P CA 1.617 64.709 63.100 -0.013 0.000 0.849 246 P CB 0.048 31.762 31.700 0.024 0.000 0.787 247 E N 0.219 120.431 120.200 0.019 0.000 2.015 247 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 247 E C 1.872 178.485 176.600 0.020 0.000 0.991 247 E CA 1.181 57.602 56.400 0.033 0.000 0.802 247 E CB -1.183 28.535 29.700 0.030 0.000 0.759 247 E HN 0.269 nan 8.360 nan 0.000 0.447 248 I N -1.541 119.030 120.570 0.003 0.000 2.335 248 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 248 I C 1.885 177.987 176.117 -0.025 0.000 1.129 248 I CA 1.040 62.339 61.300 -0.003 0.000 1.402 248 I CB -0.472 37.524 38.000 -0.006 0.000 1.069 248 I HN -0.019 nan 8.210 nan 0.000 0.424 249 V N 1.698 121.573 119.914 -0.065 0.000 2.244 249 V HA -0.284 3.836 4.120 -0.000 0.000 0.244 249 V C 2.752 178.765 176.094 -0.136 0.000 1.042 249 V CA 2.442 64.653 62.300 -0.149 0.000 1.006 249 V CB -0.938 30.725 31.823 -0.266 0.000 0.641 249 V HN 0.558 nan 8.190 nan 0.000 0.446 250 E N 0.321 120.487 120.200 -0.056 0.000 2.070 250 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 250 E C 2.430 179.115 176.600 0.141 0.000 1.004 250 E CA 1.696 58.191 56.400 0.158 0.000 0.805 250 E CB -0.120 29.738 29.700 0.262 0.000 0.744 250 E HN 0.476 nan 8.360 nan 0.000 0.451 251 R N 0.013 120.561 120.500 0.079 0.000 2.152 251 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 251 R C 2.327 178.661 176.300 0.057 0.000 1.117 251 R CA 1.391 57.532 56.100 0.069 0.000 0.981 251 R CB -0.210 30.119 30.300 0.049 0.000 0.870 251 R HN 0.244 nan 8.270 nan 0.000 0.451 252 E N 0.989 121.208 120.200 0.031 0.000 2.028 252 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 252 E C 1.899 178.525 176.600 0.044 0.000 0.984 252 E CA 1.244 57.658 56.400 0.024 0.000 0.800 252 E CB -0.169 29.525 29.700 -0.010 0.000 0.758 252 E HN 0.000 nan 8.360 nan 0.000 0.448 253 V N 1.450 121.393 119.914 0.048 0.000 2.380 253 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 253 V C 2.303 178.478 176.094 0.135 0.000 1.063 253 V CA 2.364 64.734 62.300 0.116 0.000 1.055 253 V CB -0.642 31.333 31.823 0.254 0.000 0.657 253 V HN 0.260 nan 8.190 nan 0.000 0.455 254 K N -0.156 120.323 120.400 0.131 0.000 2.026 254 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 254 K C 2.458 179.102 176.600 0.073 0.000 1.048 254 K CA 1.567 57.915 56.287 0.101 0.000 0.929 254 K CB -0.292 32.262 32.500 0.090 0.000 0.713 254 K HN 0.301 nan 8.250 nan 0.000 0.439 255 R N 1.102 121.642 120.500 0.066 0.000 2.152 255 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 255 R C 2.238 178.569 176.300 0.051 0.000 1.117 255 R CA 1.490 57.623 56.100 0.055 0.000 0.981 255 R CB 0.062 30.395 30.300 0.054 0.000 0.870 255 R HN 0.146 nan 8.270 nan 0.000 0.451 256 Q N 0.544 120.378 119.800 0.056 0.000 1.994 256 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 256 Q C 2.122 178.150 176.000 0.047 0.000 0.976 256 Q CA 1.544 57.377 55.803 0.050 0.000 0.828 256 Q CB -0.177 28.594 28.738 0.054 0.000 0.894 256 Q HN 0.355 nan 8.270 nan 0.000 0.432 257 L N -0.152 121.105 121.223 0.057 0.000 2.042 257 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 257 L C 2.427 179.317 176.870 0.034 0.000 1.076 257 L CA 1.398 56.266 54.840 0.047 0.000 0.749 257 L CB -0.622 41.471 42.059 0.057 0.000 0.893 257 L HN 0.169 nan 8.230 nan 0.000 0.432 258 S N 0.076 115.798 115.700 0.036 0.000 2.370 258 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 258 S C 1.927 176.538 174.600 0.018 0.000 1.033 258 S CA 1.260 59.476 58.200 0.027 0.000 1.011 258 S CB -0.297 62.923 63.200 0.032 0.000 0.852 258 S HN 0.319 nan 8.310 nan 0.000 0.457 259 L N 1.306 122.542 121.223 0.021 0.000 2.395 259 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 259 L C 1.604 178.477 176.870 0.004 0.000 1.130 259 L CA 0.391 55.238 54.840 0.011 0.000 0.826 259 L CB -0.256 41.813 42.059 0.017 0.000 0.941 259 L HN 0.199 nan 8.230 nan 0.000 0.451 260 V N -0.883 119.038 119.914 0.010 0.000 3.305 260 V HA -0.126 3.994 4.120 -0.000 0.000 0.269 260 V C 1.808 177.900 176.094 -0.004 0.000 1.157 260 V CA 1.015 63.319 62.300 0.006 0.000 1.157 260 V CB -0.266 31.566 31.823 0.015 0.000 0.772 260 V HN 0.350 nan 8.190 nan 0.000 0.498 261 E N -0.212 119.985 120.200 -0.006 0.000 2.290 261 E HA 0.235 4.585 4.350 -0.000 0.000 0.199 261 E C 1.930 178.511 176.600 -0.031 0.000 0.912 261 E CA 0.262 56.653 56.400 -0.015 0.000 0.924 261 E CB -0.000 29.695 29.700 -0.008 0.000 0.901 261 E HN 0.494 nan 8.360 nan 0.000 0.487 262 I N 0.731 121.282 120.570 -0.033 0.000 2.614 262 I HA -0.178 3.992 4.170 -0.000 0.000 0.258 262 I C 2.413 178.476 176.117 -0.089 0.000 1.189 262 I CA 0.861 62.127 61.300 -0.058 0.000 1.462 262 I CB -0.165 37.810 38.000 -0.043 0.000 1.092 262 I HN 0.023 nan 8.210 nan 0.000 0.442 263 R N 1.437 121.898 120.500 -0.064 0.000 2.057 263 R HA -0.146 4.194 4.340 -0.000 0.000 0.229 263 R C 1.744 177.999 176.300 -0.074 0.000 1.136 263 R CA 1.750 57.808 56.100 -0.071 0.000 0.952 263 R CB -0.107 30.169 30.300 -0.040 0.000 0.848 263 R HN 0.244 nan 8.270 nan 0.000 0.430 264 D N -0.132 120.236 120.400 -0.053 0.000 2.218 264 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 264 D C 1.607 177.871 176.300 -0.060 0.000 0.976 264 D CA 1.559 55.531 54.000 -0.047 0.000 0.853 264 D CB -0.150 40.631 40.800 -0.031 0.000 0.939 264 D HN 0.335 nan 8.370 nan 0.000 0.481 265 T N 1.103 115.612 114.554 -0.075 0.000 2.851 265 T HA 0.014 4.364 4.350 -0.000 0.000 0.262 265 T C 2.272 176.899 174.700 -0.122 0.000 1.043 265 T CA 0.258 62.307 62.100 -0.084 0.000 1.140 265 T CB -0.120 68.697 68.868 -0.084 0.000 0.872 265 T HN 0.114 nan 8.240 nan 0.000 0.446 266 L N 0.764 121.880 121.223 -0.177 0.000 2.131 266 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 266 L C 2.802 179.579 176.870 -0.155 0.000 1.092 266 L CA 1.357 56.044 54.840 -0.256 0.000 0.759 266 L CB -0.479 41.363 42.059 -0.362 0.000 0.903 266 L HN 0.333 nan 8.230 nan 0.000 0.435 267 Q N -0.679 119.059 119.800 -0.103 0.000 2.163 267 Q HA -0.179 4.161 4.340 -0.000 0.000 0.198 267 Q C 2.020 177.990 176.000 -0.050 0.000 0.954 267 Q CA 0.715 56.480 55.803 -0.063 0.000 0.851 267 Q CB 0.050 28.760 28.738 -0.046 0.000 0.928 267 Q HN 0.430 nan 8.270 nan 0.000 0.459 268 E N 1.329 121.497 120.200 -0.053 0.000 2.130 268 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 268 E C 1.250 177.828 176.600 -0.037 0.000 0.998 268 E CA 1.183 57.559 56.400 -0.039 0.000 0.806 268 E CB 0.160 29.837 29.700 -0.040 0.000 0.738 268 E HN 0.258 nan 8.360 nan 0.000 0.459 269 R N -1.042 119.429 120.500 -0.050 0.000 2.552 269 R HA 0.256 4.596 4.340 -0.000 0.000 0.314 269 R C 0.744 177.023 176.300 -0.034 0.000 1.041 269 R CA 0.381 56.457 56.100 -0.039 0.000 1.076 269 R CB 0.028 30.301 30.300 -0.045 0.000 1.290 269 R HN 0.064 nan 8.270 nan 0.000 0.563 270 G N 1.494 110.273 108.800 -0.035 0.000 2.385 270 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.284 270 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.284 270 G C 0.433 175.328 174.900 -0.008 0.000 0.899 270 G CA 0.449 45.537 45.100 -0.021 0.000 1.204 270 G HN 0.731 nan 8.290 nan 0.000 0.486 271 A N -0.808 121.991 122.820 -0.036 0.000 2.466 271 A HA 0.643 4.963 4.320 -0.000 0.000 0.238 271 A C 0.494 178.137 177.584 0.099 0.000 1.074 271 A CA 0.516 52.561 52.037 0.013 0.000 0.774 271 A CB 0.958 19.863 19.000 -0.158 0.000 1.015 271 A HN 1.335 nan 8.150 nan 0.000 0.498 272 V N 1.782 121.804 119.914 0.180 0.000 2.841 272 V HA 0.414 4.534 4.120 -0.000 0.000 0.310 272 V C -0.526 175.678 176.094 0.183 0.000 1.090 272 V CA -0.616 61.777 62.300 0.155 0.000 0.930 272 V CB 1.997 33.873 31.823 0.088 0.000 1.014 272 V HN 0.649 nan 8.190 nan 0.000 0.425 273 V N 3.810 123.799 119.914 0.124 0.000 2.328 273 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 273 V C -0.276 175.824 176.094 0.010 0.000 1.021 273 V CA -0.612 61.702 62.300 0.024 0.000 0.838 273 V CB 1.237 33.059 31.823 -0.002 0.000 0.999 273 V HN 0.871 nan 8.190 nan 0.000 0.447 274 E N 3.978 124.181 120.200 0.005 0.000 2.115 274 E HA 0.215 4.565 4.350 -0.000 0.000 0.282 274 E C 0.053 176.667 176.600 0.023 0.000 0.987 274 E CA -0.575 55.842 56.400 0.029 0.000 0.797 274 E CB 1.125 30.863 29.700 0.062 0.000 1.086 274 E HN 0.742 nan 8.360 nan 0.000 0.397 275 D N 2.010 122.418 120.400 0.014 0.000 2.355 275 D HA -0.071 4.569 4.640 -0.000 0.000 0.253 275 D C -0.374 175.933 176.300 0.012 0.000 1.187 275 D CA 0.043 54.047 54.000 0.006 0.000 0.900 275 D CB -0.122 40.677 40.800 -0.002 0.000 0.915 275 D HN 0.191 nan 8.370 nan 0.000 0.516 276 K N 1.239 121.667 120.400 0.046 0.000 2.284 276 K HA 0.362 4.682 4.320 -0.000 0.000 0.287 276 K C 0.175 176.825 176.600 0.083 0.000 1.081 276 K CA -0.290 56.009 56.287 0.020 0.000 0.910 276 K CB 1.383 33.938 32.500 0.092 0.000 1.088 276 K HN 0.095 nan 8.250 nan 0.000 0.478 277 I N 3.829 124.379 120.570 -0.032 0.000 2.331 277 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 277 I C -0.371 175.719 176.117 -0.045 0.000 0.998 277 I CA -0.749 60.583 61.300 0.053 0.000 1.267 277 I CB 0.453 38.461 38.000 0.013 0.000 1.386 277 I HN 0.314 nan 8.210 nan 0.000 0.476 278 F N 3.189 123.139 119.950 -0.000 0.000 2.450 278 F HA 0.227 4.754 4.527 -0.000 0.000 0.332 278 F C 0.679 176.486 175.800 0.010 0.000 1.093 278 F CA -0.877 57.124 58.000 0.003 0.000 1.003 278 F CB 0.980 39.981 39.000 0.001 0.000 1.151 278 F HN 0.381 nan 8.300 nan 0.000 0.474 279 D N 2.420 122.909 120.400 0.149 0.000 2.741 279 D HA 0.108 4.748 4.640 -0.000 0.000 0.233 279 D C -0.153 176.219 176.300 0.120 0.000 1.160 279 D CA 0.044 54.105 54.000 0.102 0.000 1.003 279 D CB -0.047 40.782 40.800 0.049 0.000 1.064 279 D HN 0.192 nan 8.370 nan 0.000 0.503 280 V N 2.348 122.351 119.914 0.148 0.000 1.907 280 V HA -0.003 4.117 4.120 -0.000 0.000 0.245 280 V C 1.526 177.709 176.094 0.149 0.000 1.731 280 V CA 0.371 62.742 62.300 0.117 0.000 1.661 280 V CB -0.445 31.446 31.823 0.113 0.000 1.567 280 V HN 0.303 nan 8.190 nan 0.000 0.502 281 S N 0.769 116.537 115.700 0.112 0.000 2.460 281 S HA -0.011 4.459 4.470 -0.000 0.000 0.226 281 S C 1.934 176.592 174.600 0.097 0.000 1.057 281 S CA -0.036 58.245 58.200 0.134 0.000 0.948 281 S CB 0.006 63.258 63.200 0.086 0.000 0.822 281 S HN 0.632 nan 8.310 nan 0.000 0.512 282 E N 1.651 121.872 120.200 0.034 0.000 2.333 282 E HA -0.043 4.307 4.350 -0.000 0.000 0.198 282 E C 1.692 178.253 176.600 -0.065 0.000 1.007 282 E CA 0.437 56.837 56.400 -0.000 0.000 0.845 282 E CB -0.193 29.503 29.700 -0.007 0.000 0.766 282 E HN 0.248 nan 8.360 nan 0.000 0.507 283 V N 0.124 119.942 119.914 -0.160 0.000 3.078 283 V HA -0.165 3.955 4.120 -0.000 0.000 0.265 283 V C 0.887 176.612 176.094 -0.616 0.000 1.122 283 V CA 1.054 63.106 62.300 -0.413 0.000 1.141 283 V CB -0.515 30.949 31.823 -0.599 0.000 0.735 283 V HN 0.136 nan 8.190 nan 0.000 0.498 284 F N -0.837 119.104 119.950 -0.014 0.000 2.805 284 F HA 0.569 5.096 4.527 -0.000 0.000 0.317 284 F C 1.690 177.482 175.800 -0.012 0.000 1.146 284 F CA -0.084 57.905 58.000 -0.018 0.000 1.265 284 F CB -0.497 38.483 39.000 -0.033 0.000 0.992 284 F HN -0.003 nan 8.300 nan 0.000 0.511 285 A N -0.309 122.565 122.820 0.090 0.000 1.881 285 A HA -0.248 4.071 4.320 -0.000 0.000 0.219 285 A C 0.519 178.145 177.584 0.070 0.000 1.215 285 A CA 2.083 54.158 52.037 0.063 0.000 0.648 285 A CB -0.600 18.415 19.000 0.024 0.000 0.832 285 A HN 0.299 nan 8.150 nan 0.000 0.455 286 D N -1.423 119.017 120.400 0.067 0.000 2.438 286 D HA 0.464 5.104 4.640 -0.000 0.000 0.257 286 D C -0.295 176.061 176.300 0.093 0.000 1.148 286 D CA 0.064 54.102 54.000 0.064 0.000 0.902 286 D CB 1.142 41.965 40.800 0.038 0.000 1.062 286 D HN 0.241 nan 8.370 nan 0.000 0.518 287 T N 0.303 114.930 114.554 0.122 0.000 2.923 287 T HA 0.309 4.659 4.350 -0.000 0.000 0.281 287 T C 0.500 175.249 174.700 0.082 0.000 0.995 287 T CA -0.465 61.726 62.100 0.152 0.000 0.985 287 T CB 1.051 70.035 68.868 0.194 0.000 1.114 287 T HN 0.189 nan 8.240 nan 0.000 0.548 288 E N 0.849 121.095 120.200 0.078 0.000 2.569 288 E HA 0.252 4.602 4.350 -0.000 0.000 0.205 288 E C -0.731 175.890 176.600 0.036 0.000 1.006 288 E CA -0.198 56.232 56.400 0.050 0.000 0.985 288 E CB 0.720 30.452 29.700 0.054 0.000 1.060 288 E HN 0.288 nan 8.360 nan 0.000 0.460 289 S N 0.814 116.524 115.700 0.016 0.000 2.707 289 S HA 0.209 4.679 4.470 -0.000 0.000 0.312 289 S C 0.559 175.148 174.600 -0.018 0.000 1.116 289 S CA -0.733 57.469 58.200 0.003 0.000 1.078 289 S CB 1.898 65.092 63.200 -0.010 0.000 0.997 289 S HN 0.129 nan 8.310 nan 0.000 0.477 290 R N 2.696 123.195 120.500 -0.001 0.000 2.112 290 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 290 R C 1.445 177.733 176.300 -0.018 0.000 1.137 290 R CA 1.950 58.046 56.100 -0.006 0.000 0.944 290 R CB -0.962 29.339 30.300 0.002 0.000 0.857 290 R HN 0.661 nan 8.270 nan 0.000 0.435 291 I N 0.288 120.858 120.570 -0.001 0.000 2.121 291 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 291 I C 2.229 178.293 176.117 -0.088 0.000 1.047 291 I CA 1.900 63.199 61.300 -0.001 0.000 1.308 291 I CB -0.427 37.641 38.000 0.114 0.000 1.015 291 I HN 0.280 nan 8.210 nan 0.000 0.410 292 I N -0.674 119.792 120.570 -0.174 0.000 2.429 292 I HA -0.163 4.007 4.170 -0.000 0.000 0.247 292 I C 2.516 178.553 176.117 -0.133 0.000 1.099 292 I CA 1.151 62.303 61.300 -0.247 0.000 1.422 292 I CB -0.591 37.117 38.000 -0.488 0.000 1.112 292 I HN 0.256 nan 8.210 nan 0.000 0.430 293 S N 1.017 116.663 115.700 -0.090 0.000 2.402 293 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 293 S C 1.924 176.514 174.600 -0.016 0.000 1.030 293 S CA 1.593 59.776 58.200 -0.029 0.000 1.003 293 S CB -0.807 62.388 63.200 -0.007 0.000 0.813 293 S HN 0.566 nan 8.310 nan 0.000 0.477 294 S N 1.034 116.719 115.700 -0.024 0.000 2.575 294 S HA 0.606 5.076 4.470 -0.000 0.000 0.215 294 S C 0.653 175.250 174.600 -0.005 0.000 0.966 294 S CA -0.111 58.083 58.200 -0.009 0.000 0.911 294 S CB -0.293 62.903 63.200 -0.007 0.000 0.780 294 S HN 0.754 nan 8.310 nan 0.000 0.514 295 A N 2.075 124.882 122.820 -0.022 0.000 2.401 295 A HA 0.437 4.757 4.320 -0.000 0.000 0.259 295 A C 1.211 178.807 177.584 0.020 0.000 1.103 295 A CA -0.542 51.493 52.037 -0.003 0.000 0.789 295 A CB 0.334 19.306 19.000 -0.047 0.000 1.035 295 A HN 0.239 nan 8.150 nan 0.000 0.491 296 E N 1.319 121.549 120.200 0.051 0.000 1.995 296 E HA -0.111 4.239 4.350 -0.000 0.000 0.207 296 E C 1.112 177.731 176.600 0.030 0.000 1.016 296 E CA 1.749 58.173 56.400 0.039 0.000 0.865 296 E CB -0.454 29.272 29.700 0.042 0.000 0.797 296 E HN 0.599 nan 8.360 nan 0.000 0.491 297 S N -1.137 114.583 115.700 0.034 0.000 2.795 297 S HA 0.559 5.029 4.470 -0.000 0.000 0.308 297 S C -1.122 173.497 174.600 0.032 0.000 1.098 297 S CA -0.455 57.764 58.200 0.031 0.000 0.934 297 S CB 1.658 64.873 63.200 0.024 0.000 1.300 297 S HN 0.088 nan 8.310 nan 0.000 0.566 298 V N 2.123 122.062 119.914 0.041 0.000 2.775 298 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 298 V C -1.903 174.232 176.094 0.068 0.000 1.226 298 V CA -0.500 61.822 62.300 0.037 0.000 0.934 298 V CB 1.045 32.875 31.823 0.011 0.000 1.056 298 V HN 0.838 nan 8.190 nan 0.000 0.436 299 L N 5.628 126.889 121.223 0.063 0.000 2.286 299 L HA 1.113 5.452 4.340 -0.000 0.000 0.265 299 L C 0.095 177.021 176.870 0.094 0.000 1.012 299 L CA -0.540 54.352 54.840 0.087 0.000 0.818 299 L CB 1.921 44.021 42.059 0.068 0.000 1.337 299 L HN 0.855 nan 8.230 nan 0.000 0.438 300 A N 0.353 123.249 122.820 0.128 0.000 2.606 300 A HA 0.876 5.196 4.320 -0.000 0.000 0.293 300 A C -1.512 176.152 177.584 0.133 0.000 1.082 300 A CA -0.522 51.577 52.037 0.104 0.000 0.685 300 A CB 1.971 21.022 19.000 0.084 0.000 1.284 300 A HN 0.349 nan 8.150 nan 0.000 0.408 301 V N 0.924 120.880 119.914 0.069 0.000 2.925 301 V HA 0.583 4.702 4.120 -0.000 0.000 0.311 301 V C -0.427 175.653 176.094 -0.024 0.000 1.104 301 V CA -0.834 61.505 62.300 0.065 0.000 0.954 301 V CB 2.149 33.991 31.823 0.031 0.000 1.022 301 V HN 1.084 nan 8.190 nan 0.000 0.427 302 K N 3.195 123.574 120.400 -0.035 0.000 2.138 302 K HA 0.839 5.159 4.320 -0.000 0.000 0.263 302 K C -1.491 175.046 176.600 -0.105 0.000 0.965 302 K CA -0.654 55.586 56.287 -0.079 0.000 0.868 302 K CB 1.882 34.324 32.500 -0.097 0.000 1.083 302 K HN 0.559 nan 8.250 nan 0.000 0.443 303 L N 3.519 124.660 121.223 -0.138 0.000 2.388 303 L HA 0.400 4.740 4.340 -0.000 0.000 0.267 303 L C -0.043 176.905 176.870 0.130 0.000 0.995 303 L CA -0.899 53.788 54.840 -0.254 0.000 0.864 303 L CB 1.495 43.029 42.059 -0.876 0.000 1.216 303 L HN 0.721 nan 8.230 nan 0.000 0.430 304 R N 2.338 122.950 120.500 0.186 0.000 2.486 304 R HA 0.138 4.478 4.340 -0.000 0.000 0.303 304 R C 1.230 177.691 176.300 0.268 0.000 0.958 304 R CA 1.379 57.596 56.100 0.196 0.000 1.077 304 R CB 0.285 30.664 30.300 0.131 0.000 0.921 304 R HN 0.896 nan 8.270 nan 0.000 0.406 305 G N 4.075 112.969 108.800 0.156 0.000 2.220 305 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.269 305 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.269 305 G C 0.449 175.386 174.900 0.062 0.000 0.977 305 G CA 0.421 45.566 45.100 0.075 0.000 0.634 305 G HN 0.669 nan 8.290 nan 0.000 0.539 306 F N 1.623 121.571 119.950 -0.003 0.000 2.641 306 F HA 0.175 4.702 4.527 -0.000 0.000 0.298 306 F C 1.672 177.476 175.800 0.006 0.000 1.146 306 F CA 0.248 58.247 58.000 -0.002 0.000 1.464 306 F CB -0.068 38.929 39.000 -0.005 0.000 1.101 306 F HN 0.123 nan 8.300 nan 0.000 0.585 307 D N -0.222 120.271 120.400 0.155 0.000 2.506 307 D HA 0.172 4.812 4.640 -0.000 0.000 0.234 307 D C 1.445 177.784 176.300 0.065 0.000 1.143 307 D CA 1.422 55.481 54.000 0.098 0.000 0.871 307 D CB 0.722 41.560 40.800 0.064 0.000 1.190 307 D HN 0.361 nan 8.370 nan 0.000 0.459 308 G N 2.286 111.125 108.800 0.064 0.000 2.220 308 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.269 308 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.269 308 G C 0.911 175.839 174.900 0.046 0.000 0.977 308 G CA 0.720 45.848 45.100 0.046 0.000 0.634 308 G HN 0.480 nan 8.290 nan 0.000 0.539 309 L N -0.066 121.193 121.223 0.060 0.000 2.701 309 L HA 0.492 4.832 4.340 -0.000 0.000 0.238 309 L C 2.381 179.302 176.870 0.084 0.000 1.106 309 L CA 0.253 55.121 54.840 0.047 0.000 0.898 309 L CB 0.157 42.210 42.059 -0.010 0.000 1.188 309 L HN 0.292 nan 8.230 nan 0.000 0.508 310 I N -0.234 120.416 120.570 0.133 0.000 2.761 310 I HA -0.056 4.114 4.170 -0.000 0.000 0.261 310 I C 2.015 178.221 176.117 0.148 0.000 1.198 310 I CA 1.279 62.659 61.300 0.134 0.000 1.482 310 I CB -0.286 37.816 38.000 0.170 0.000 1.100 310 I HN 0.344 nan 8.210 nan 0.000 0.445 311 G N 0.452 109.344 108.800 0.152 0.000 3.126 311 G HA2 0.172 4.132 3.960 -0.000 0.000 0.224 311 G HA3 0.172 4.132 3.960 -0.000 0.000 0.224 311 G C 0.579 175.529 174.900 0.084 0.000 1.142 311 G CA -0.073 45.110 45.100 0.138 0.000 0.759 311 G HN 0.056 nan 8.290 nan 0.000 0.550 312 V N 1.259 121.212 119.914 0.066 0.000 2.540 312 V HA 0.044 4.164 4.120 -0.000 0.000 0.297 312 V C 0.533 176.654 176.094 0.045 0.000 1.024 312 V CA -0.221 62.106 62.300 0.045 0.000 1.105 312 V CB 1.113 32.955 31.823 0.032 0.000 0.938 312 V HN 0.405 nan 8.190 nan 0.000 0.482 313 E N 4.164 124.388 120.200 0.040 0.000 2.081 313 E HA 0.082 4.432 4.350 -0.000 0.000 0.270 313 E C 1.192 177.813 176.600 0.036 0.000 1.180 313 E CA -0.159 56.265 56.400 0.040 0.000 0.926 313 E CB 0.369 30.091 29.700 0.036 0.000 1.035 313 E HN 0.743 nan 8.360 nan 0.000 0.418 314 I N 1.297 121.890 120.570 0.039 0.000 2.617 314 I HA 0.041 4.211 4.170 -0.000 0.000 0.256 314 I C 0.686 176.829 176.117 0.042 0.000 1.167 314 I CA 0.391 61.713 61.300 0.037 0.000 1.469 314 I CB 0.174 38.196 38.000 0.037 0.000 1.098 314 I HN 0.347 nan 8.210 nan 0.000 0.436 315 Q N 1.066 120.892 119.800 0.044 0.000 2.345 315 Q HA 0.435 4.775 4.340 -0.000 0.000 0.275 315 Q C -2.666 173.359 176.000 0.042 0.000 1.063 315 Q CA -2.274 53.557 55.803 0.046 0.000 0.819 315 Q CB 2.557 31.324 28.738 0.049 0.000 1.356 315 Q HN -0.108 nan 8.270 nan 0.000 0.418 316 P HA -0.089 nan 4.420 nan 0.000 0.212 316 P C 0.182 177.502 177.300 0.034 0.000 0.974 316 P CA 2.085 65.207 63.100 0.037 0.000 1.226 316 P CB -0.349 31.374 31.700 0.038 0.000 1.258 317 G N 2.295 111.115 108.800 0.034 0.000 2.307 317 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.210 317 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.210 317 G C 0.206 175.130 174.900 0.039 0.000 1.005 317 G CA -0.592 44.528 45.100 0.033 0.000 0.634 317 G HN 0.486 nan 8.290 nan 0.000 0.496 318 R N 0.207 120.733 120.500 0.042 0.000 2.778 318 R HA 0.819 5.159 4.340 -0.000 0.000 0.277 318 R C -0.099 176.231 176.300 0.050 0.000 0.977 318 R CA -0.832 55.296 56.100 0.048 0.000 0.950 318 R CB 1.260 31.589 30.300 0.049 0.000 1.165 318 R HN 0.247 nan 8.270 nan 0.000 0.474 319 R N 0.600 121.132 120.500 0.054 0.000 2.943 319 R HA 0.295 4.635 4.340 -0.000 0.000 0.246 319 R C 0.654 176.977 176.300 0.038 0.000 1.201 319 R CA -0.949 55.183 56.100 0.053 0.000 1.056 319 R CB -0.157 30.188 30.300 0.075 0.000 1.243 319 R HN 0.414 nan 8.270 nan 0.000 0.498 320 L N 0.865 122.107 121.223 0.031 0.000 2.012 320 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 320 L C 1.806 178.658 176.870 -0.029 0.000 1.073 320 L CA 2.660 57.507 54.840 0.012 0.000 0.748 320 L CB -1.062 41.011 42.059 0.023 0.000 0.891 320 L HN 0.887 nan 8.230 nan 0.000 0.431 321 G N -1.832 106.926 108.800 -0.070 0.000 2.475 321 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 321 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 321 G C 1.410 176.210 174.900 -0.168 0.000 1.125 321 G CA 1.354 46.297 45.100 -0.262 0.000 0.755 321 G HN 0.481 nan 8.290 nan 0.000 0.565 322 T N 0.846 115.376 114.554 -0.040 0.000 2.708 322 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 322 T C 2.210 176.935 174.700 0.041 0.000 1.037 322 T CA 1.300 63.408 62.100 0.012 0.000 1.146 322 T CB -0.119 68.775 68.868 0.044 0.000 0.865 322 T HN 0.234 nan 8.240 nan 0.000 0.435 323 E N 1.196 121.427 120.200 0.052 0.000 2.038 323 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 323 E C 2.251 178.929 176.600 0.130 0.000 1.000 323 E CA 1.174 57.645 56.400 0.119 0.000 0.803 323 E CB -0.432 29.314 29.700 0.076 0.000 0.750 323 E HN 0.541 nan 8.360 nan 0.000 0.448 324 M N 0.382 119.979 119.600 -0.004 0.000 2.108 324 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 324 M C 2.438 178.755 176.300 0.029 0.000 1.066 324 M CA 1.793 57.069 55.300 -0.042 0.000 1.107 324 M CB -0.409 32.112 32.600 -0.132 0.000 1.356 324 M HN 0.073 nan 8.290 nan 0.000 0.406 325 A N 0.309 123.128 122.820 -0.002 0.000 1.940 325 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 325 A C 1.632 179.268 177.584 0.087 0.000 1.176 325 A CA 2.222 54.273 52.037 0.025 0.000 0.631 325 A CB -0.761 18.241 19.000 0.004 0.000 0.814 325 A HN 0.410 nan 8.150 nan 0.000 0.446 326 D N -1.377 119.100 120.400 0.129 0.000 2.084 326 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 326 D C 1.659 178.077 176.300 0.196 0.000 0.990 326 D CA 1.415 55.511 54.000 0.161 0.000 0.826 326 D CB -0.479 40.444 40.800 0.205 0.000 0.971 326 D HN 0.541 nan 8.370 nan 0.000 0.453 327 Y N 0.961 121.297 120.300 0.061 0.000 2.274 327 Y HA -0.084 4.466 4.550 -0.000 0.000 0.290 327 Y C 2.376 178.301 175.900 0.042 0.000 1.145 327 Y CA 1.078 59.199 58.100 0.035 0.000 1.203 327 Y CB -0.526 37.874 38.460 -0.100 0.000 0.984 327 Y HN -0.049 nan 8.280 nan 0.000 0.533 328 A N -0.289 122.642 122.820 0.185 0.000 1.970 328 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 328 A C 2.195 179.842 177.584 0.105 0.000 1.170 328 A CA 1.119 53.227 52.037 0.119 0.000 0.645 328 A CB -0.408 18.644 19.000 0.086 0.000 0.816 328 A HN 0.346 nan 8.150 nan 0.000 0.447 329 K N 0.564 121.024 120.400 0.100 0.000 2.059 329 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 329 K C 0.420 177.065 176.600 0.075 0.000 1.050 329 K CA 1.337 57.673 56.287 0.082 0.000 0.927 329 K CB -0.260 32.281 32.500 0.068 0.000 0.714 329 K HN 0.471 nan 8.250 nan 0.000 0.447 330 K N 0.471 120.913 120.400 0.070 0.000 2.344 330 K HA -0.076 4.244 4.320 -0.000 0.000 0.260 330 K C 0.610 177.247 176.600 0.061 0.000 0.988 330 K CA 0.207 56.527 56.287 0.055 0.000 0.909 330 K CB 0.261 32.794 32.500 0.055 0.000 0.968 330 K HN 0.022 nan 8.250 nan 0.000 0.505 331 R N -0.506 120.022 120.500 0.046 0.000 3.954 331 R HA -0.179 4.161 4.340 -0.000 0.000 0.422 331 R C -0.208 176.123 176.300 0.053 0.000 1.091 331 R CA 1.469 57.593 56.100 0.041 0.000 1.168 331 R CB -2.194 28.133 30.300 0.044 0.000 1.752 331 R HN 1.251 nan 8.270 nan 0.000 0.547 332 G N -1.730 107.115 108.800 0.075 0.000 2.850 332 G HA2 0.293 4.253 3.960 -0.000 0.000 0.686 332 G HA3 0.293 4.253 3.960 -0.000 0.000 0.686 332 G C -0.297 174.724 174.900 0.202 0.000 1.164 332 G CA -0.071 45.104 45.100 0.124 0.000 0.826 332 G HN 1.589 nan 8.290 nan 0.000 0.586 333 V N 1.861 121.895 119.914 0.199 0.000 2.540 333 V HA 0.400 4.520 4.120 -0.000 0.000 0.268 333 V C 1.052 177.180 176.094 0.057 0.000 1.799 333 V CA 1.045 63.440 62.300 0.159 0.000 0.802 333 V CB 0.648 32.585 31.823 0.190 0.000 1.348 333 V HN 2.031 nan 8.190 nan 0.000 0.417 334 S N 3.217 118.915 115.700 -0.003 0.000 2.374 334 S HA 0.400 4.870 4.470 -0.000 0.000 0.207 334 S C 0.658 175.291 174.600 0.055 0.000 1.042 334 S CA 1.118 59.331 58.200 0.022 0.000 1.034 334 S CB -0.072 63.142 63.200 0.024 0.000 1.018 334 S HN 1.978 nan 8.310 nan 0.000 0.419 335 G N 0.834 109.687 108.800 0.088 0.000 2.734 335 G HA2 0.536 4.496 3.960 -0.000 0.000 0.293 335 G HA3 0.536 4.496 3.960 -0.000 0.000 0.293 335 G C -0.498 174.447 174.900 0.077 0.000 1.422 335 G CA -1.004 44.126 45.100 0.049 0.000 1.177 335 G HN 0.523 nan 8.290 nan 0.000 0.565 336 I N -0.657 119.971 120.570 0.097 0.000 2.872 336 I HA 0.516 4.686 4.170 -0.000 0.000 0.291 336 I C -0.916 175.294 176.117 0.154 0.000 1.216 336 I CA -0.064 61.352 61.300 0.194 0.000 1.424 336 I CB 0.303 38.353 38.000 0.084 0.000 1.351 336 I HN 0.139 nan 8.210 nan 0.000 0.592 337 F N 4.649 124.600 119.950 0.001 0.000 2.450 337 F HA 0.579 5.106 4.527 -0.000 0.000 0.332 337 F C 0.430 176.268 175.800 0.063 0.000 1.093 337 F CA -0.366 57.568 58.000 -0.109 0.000 1.003 337 F CB 1.151 40.018 39.000 -0.223 0.000 1.151 337 F HN 0.578 nan 8.300 nan 0.000 0.474 338 H N -0.948 118.094 119.070 -0.047 0.000 2.974 338 H HA 0.279 4.835 4.556 -0.000 0.000 0.366 338 H C 0.358 175.677 175.328 -0.015 0.000 1.155 338 H CA -0.767 55.271 56.048 -0.017 0.000 1.186 338 H CB 0.565 30.312 29.762 -0.025 0.000 1.799 338 H HN 0.496 nan 8.280 nan 0.000 0.541 339 T N 0.728 115.320 114.554 0.065 0.000 2.634 339 T HA -0.264 4.086 4.350 -0.000 0.000 0.256 339 T C 0.961 175.650 174.700 -0.018 0.000 1.131 339 T CA 2.427 64.543 62.100 0.026 0.000 1.149 339 T CB -0.364 68.539 68.868 0.058 0.000 0.849 339 T HN 0.660 nan 8.240 nan 0.000 0.457 340 D N 0.696 121.100 120.400 0.007 0.000 2.378 340 D HA -0.001 4.639 4.640 -0.000 0.000 0.227 340 D C 1.477 177.716 176.300 -0.101 0.000 1.012 340 D CA 0.762 54.759 54.000 -0.004 0.000 0.905 340 D CB 0.015 40.865 40.800 0.084 0.000 0.895 340 D HN 0.619 nan 8.370 nan 0.000 0.532 341 E N -0.578 119.453 120.200 -0.282 0.000 2.712 341 E HA 0.065 4.415 4.350 -0.000 0.000 0.221 341 E C 1.358 177.805 176.600 -0.256 0.000 0.943 341 E CA -0.143 56.075 56.400 -0.304 0.000 1.259 341 E CB 0.872 30.251 29.700 -0.534 0.000 1.167 341 E HN -0.017 nan 8.360 nan 0.000 0.569 342 L N 1.453 122.546 121.223 -0.216 0.000 2.492 342 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 342 L C -1.208 175.673 176.870 0.018 0.000 1.132 342 L CA 0.763 55.545 54.840 -0.096 0.000 0.850 342 L CB -0.769 41.264 42.059 -0.044 0.000 0.966 342 L HN -0.019 nan 8.230 nan 0.000 0.454 343 P HA -0.091 nan 4.420 nan 0.000 0.221 343 P C 0.743 178.083 177.300 0.068 0.000 1.145 343 P CA 1.350 64.474 63.100 0.040 0.000 0.795 343 P CB 0.257 31.971 31.700 0.024 0.000 0.775 344 A N -2.401 120.474 122.820 0.091 0.000 3.888 344 A HA 0.450 4.770 4.320 -0.000 0.000 0.158 344 A C -0.006 177.720 177.584 0.237 0.000 1.485 344 A CA -0.170 51.942 52.037 0.126 0.000 1.261 344 A CB -0.884 18.177 19.000 0.103 0.000 1.670 344 A HN 0.001 nan 8.150 nan 0.000 0.661 345 Y N -1.204 119.102 120.300 0.010 0.000 4.490 345 Y HA -0.167 4.383 4.550 -0.000 0.000 0.233 345 Y C 1.203 177.139 175.900 0.061 0.000 1.101 345 Y CA 1.590 59.708 58.100 0.030 0.000 2.010 345 Y CB -1.276 37.222 38.460 0.064 0.000 1.622 345 Y HN 2.134 nan 8.280 nan 0.000 0.675 346 G N 0.340 109.216 108.800 0.126 0.000 2.212 346 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.255 346 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.255 346 G C -0.223 174.743 174.900 0.110 0.000 1.062 346 G CA 0.064 45.217 45.100 0.089 0.000 0.815 346 G HN 0.560 nan 8.290 nan 0.000 0.497 347 I N 1.004 121.651 120.570 0.129 0.000 2.571 347 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 347 I C 0.717 176.901 176.117 0.111 0.000 1.115 347 I CA -0.602 60.778 61.300 0.133 0.000 1.045 347 I CB 2.170 40.269 38.000 0.165 0.000 1.238 347 I HN 0.256 nan 8.210 nan 0.000 0.424 348 T N 0.668 115.280 114.554 0.097 0.000 2.868 348 T HA 0.196 4.546 4.350 -0.000 0.000 0.292 348 T C 0.927 175.667 174.700 0.065 0.000 1.028 348 T CA -0.536 61.605 62.100 0.069 0.000 1.059 348 T CB 1.544 70.445 68.868 0.054 0.000 0.991 348 T HN 0.481 nan 8.240 nan 0.000 0.531 349 E N 1.027 121.254 120.200 0.045 0.000 2.204 349 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 349 E C 1.934 178.547 176.600 0.022 0.000 0.990 349 E CA 1.036 57.457 56.400 0.034 0.000 0.821 349 E CB -0.231 29.483 29.700 0.024 0.000 0.750 349 E HN 0.784 nan 8.360 nan 0.000 0.477 350 E N 0.777 120.988 120.200 0.019 0.000 2.209 350 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 350 E C 1.817 178.411 176.600 -0.010 0.000 0.993 350 E CA 1.125 57.527 56.400 0.003 0.000 0.819 350 E CB -0.054 29.648 29.700 0.004 0.000 0.745 350 E HN 0.419 nan 8.360 nan 0.000 0.477 351 E N -0.237 119.974 120.200 0.018 0.000 2.102 351 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 351 E C 2.107 178.717 176.600 0.016 0.000 0.971 351 E CA 0.758 57.165 56.400 0.012 0.000 0.821 351 E CB 0.079 29.865 29.700 0.144 0.000 0.777 351 E HN 0.056 nan 8.360 nan 0.000 0.460 352 V N 2.899 122.847 119.914 0.057 0.000 2.392 352 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 352 V C 2.489 178.588 176.094 0.008 0.000 1.059 352 V CA 2.342 64.673 62.300 0.052 0.000 1.051 352 V CB -0.843 31.009 31.823 0.049 0.000 0.658 352 V HN 0.325 nan 8.190 nan 0.000 0.455 353 R N 0.904 121.399 120.500 -0.009 0.000 2.193 353 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 353 R C 2.283 178.550 176.300 -0.056 0.000 1.055 353 R CA 1.349 57.433 56.100 -0.027 0.000 0.995 353 R CB -0.856 29.431 30.300 -0.022 0.000 0.893 353 R HN 0.423 nan 8.270 nan 0.000 0.459 354 G N 1.729 110.480 108.800 -0.082 0.000 2.403 354 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 354 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 354 G C 1.403 176.205 174.900 -0.163 0.000 1.154 354 G CA 0.263 45.279 45.100 -0.140 0.000 0.784 354 G HN 0.234 nan 8.290 nan 0.000 0.538 355 L N -0.256 120.885 121.223 -0.136 0.000 2.068 355 L HA 0.079 4.419 4.340 -0.000 0.000 0.204 355 L C 3.099 179.913 176.870 -0.093 0.000 1.076 355 L CA 0.543 55.320 54.840 -0.104 0.000 0.753 355 L CB -0.132 41.933 42.059 0.009 0.000 0.910 355 L HN 0.036 nan 8.230 nan 0.000 0.439 356 R N 0.042 120.502 120.500 -0.067 0.000 2.117 356 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 356 R C 1.808 178.050 176.300 -0.097 0.000 1.143 356 R CA 1.750 57.806 56.100 -0.072 0.000 0.968 356 R CB -0.966 29.308 30.300 -0.043 0.000 0.863 356 R HN 0.473 nan 8.270 nan 0.000 0.444 357 D N 0.101 120.448 120.400 -0.089 0.000 2.085 357 D HA -0.022 4.618 4.640 -0.000 0.000 0.199 357 D C 1.735 177.972 176.300 -0.106 0.000 0.981 357 D CA 1.610 55.559 54.000 -0.085 0.000 0.834 357 D CB -0.140 40.618 40.800 -0.069 0.000 0.992 357 D HN 0.139 nan 8.370 nan 0.000 0.457 358 A N 0.197 122.948 122.820 -0.116 0.000 1.978 358 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 358 A C 2.319 179.786 177.584 -0.196 0.000 1.170 358 A CA 1.625 53.598 52.037 -0.108 0.000 0.636 358 A CB -0.666 18.275 19.000 -0.097 0.000 0.810 358 A HN 0.254 nan 8.150 nan 0.000 0.448 359 V N -0.529 119.193 119.914 -0.320 0.000 3.649 359 V HA 0.372 4.492 4.120 -0.000 0.000 0.275 359 V C 1.140 176.883 176.094 -0.586 0.000 1.281 359 V CA 1.083 62.961 62.300 -0.703 0.000 1.143 359 V CB -1.133 30.369 31.823 -0.535 0.000 0.892 359 V HN 1.358 nan 8.190 nan 0.000 0.441 360 G N 1.295 109.923 108.800 -0.287 0.000 2.381 360 G HA2 0.017 3.976 3.960 -0.000 0.000 0.281 360 G HA3 0.017 3.976 3.960 -0.000 0.000 0.281 360 G C -0.074 174.739 174.900 -0.147 0.000 0.984 360 G CA 0.333 45.333 45.100 -0.166 0.000 1.339 360 G HN 1.554 nan 8.290 nan 0.000 0.485 361 A N 1.247 123.999 122.820 -0.115 0.000 2.343 361 A HA 0.913 5.233 4.320 -0.000 0.000 0.316 361 A C 0.597 178.157 177.584 -0.040 0.000 1.104 361 A CA 0.337 52.328 52.037 -0.076 0.000 0.768 361 A CB 1.326 20.278 19.000 -0.081 0.000 1.213 361 A HN 1.205 nan 8.150 nan 0.000 0.456 362 S N 0.351 116.040 115.700 -0.019 0.000 2.606 362 S HA 0.091 4.561 4.470 -0.000 0.000 0.257 362 S C 1.099 175.698 174.600 -0.002 0.000 1.327 362 S CA -0.188 58.007 58.200 -0.007 0.000 0.984 362 S CB 0.584 63.786 63.200 0.004 0.000 0.941 362 S HN 0.819 nan 8.310 nan 0.000 0.576 363 Q N -0.133 119.668 119.800 0.001 0.000 2.365 363 Q HA 0.122 4.462 4.340 -0.000 0.000 0.203 363 Q C 1.320 177.328 176.000 0.013 0.000 0.929 363 Q CA 0.255 56.061 55.803 0.005 0.000 0.948 363 Q CB -0.375 28.364 28.738 0.002 0.000 1.043 363 Q HN 0.888 nan 8.270 nan 0.000 0.505 364 G N -0.113 108.697 108.800 0.017 0.000 2.833 364 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.210 364 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.210 364 G C -0.066 174.859 174.900 0.041 0.000 1.139 364 G CA 0.018 45.132 45.100 0.022 0.000 0.771 364 G HN 0.410 nan 8.290 nan 0.000 0.535 365 D N 0.246 120.676 120.400 0.049 0.000 2.494 365 D HA 0.713 5.353 4.640 -0.000 0.000 0.259 365 D C -0.035 176.309 176.300 0.074 0.000 1.109 365 D CA -0.707 53.344 54.000 0.085 0.000 1.040 365 D CB 1.511 42.359 40.800 0.081 0.000 1.175 365 D HN 0.143 nan 8.370 nan 0.000 0.584 366 A N -0.706 122.170 122.820 0.093 0.000 2.485 366 A HA 0.682 5.002 4.320 -0.000 0.000 0.292 366 A C -1.163 176.433 177.584 0.020 0.000 1.147 366 A CA -0.735 51.342 52.037 0.066 0.000 0.750 366 A CB 1.575 20.640 19.000 0.109 0.000 1.331 366 A HN 0.352 nan 8.150 nan 0.000 0.419 367 V N 0.050 119.977 119.914 0.022 0.000 2.769 367 V HA 0.624 4.744 4.120 -0.000 0.000 0.312 367 V C -0.749 175.371 176.094 0.044 0.000 1.061 367 V CA -0.565 61.737 62.300 0.003 0.000 0.931 367 V CB 1.764 33.583 31.823 -0.008 0.000 1.010 367 V HN 0.665 nan 8.190 nan 0.000 0.433 368 V N 4.915 124.845 119.914 0.026 0.000 2.409 368 V HA 0.468 4.588 4.120 -0.000 0.000 0.290 368 V C -0.149 175.985 176.094 0.067 0.000 1.017 368 V CA -0.254 62.082 62.300 0.060 0.000 0.841 368 V CB 1.438 33.255 31.823 -0.009 0.000 1.003 368 V HN 0.911 nan 8.190 nan 0.000 0.426 369 M N 5.245 124.908 119.600 0.104 0.000 2.528 369 M HA 0.800 5.280 4.480 -0.000 0.000 0.318 369 M C -1.701 174.645 176.300 0.077 0.000 1.195 369 M CA -0.488 54.856 55.300 0.073 0.000 1.000 369 M CB 2.130 34.754 32.600 0.039 0.000 1.615 369 M HN 0.395 nan 8.290 nan 0.000 0.469 370 V N 3.222 123.154 119.914 0.030 0.000 2.488 370 V HA 0.519 4.639 4.120 -0.000 0.000 0.293 370 V C -0.493 175.587 176.094 -0.023 0.000 1.027 370 V CA -0.822 61.504 62.300 0.043 0.000 0.862 370 V CB 1.369 33.246 31.823 0.091 0.000 1.008 370 V HN 0.933 nan 8.190 nan 0.000 0.428 371 A N 4.501 127.244 122.820 -0.128 0.000 2.366 371 A HA 0.780 5.100 4.320 -0.000 0.000 0.322 371 A C -0.286 177.303 177.584 0.008 0.000 1.397 371 A CA 0.110 52.059 52.037 -0.146 0.000 0.984 371 A CB -0.134 18.643 19.000 -0.371 0.000 1.149 371 A HN 1.059 nan 8.150 nan 0.000 0.540 372 H N 0.651 119.697 119.070 -0.039 0.000 3.150 372 H HA 0.305 4.861 4.556 -0.000 0.000 0.270 372 H C -0.747 174.577 175.328 -0.007 0.000 1.573 372 H CA -0.524 55.518 56.048 -0.009 0.000 1.195 372 H CB 0.820 30.589 29.762 0.012 0.000 1.874 372 H HN 0.665 nan 8.280 nan 0.000 0.691 373 E N 1.844 122.058 120.200 0.022 0.000 2.259 373 E HA 0.127 4.477 4.350 -0.000 0.000 0.281 373 E C 0.751 177.300 176.600 -0.084 0.000 1.037 373 E CA -0.656 55.705 56.400 -0.064 0.000 0.854 373 E CB 1.890 31.510 29.700 -0.134 0.000 1.051 373 E HN 0.427 nan 8.360 nan 0.000 0.409 374 R N 2.421 122.903 120.500 -0.031 0.000 2.189 374 R HA -0.261 4.079 4.340 -0.000 0.000 0.252 374 R C 1.773 178.049 176.300 -0.041 0.000 1.134 374 R CA 2.375 58.461 56.100 -0.023 0.000 0.954 374 R CB -0.695 29.598 30.300 -0.013 0.000 0.890 374 R HN 0.643 nan 8.270 nan 0.000 0.443 375 V N 0.124 120.003 119.914 -0.058 0.000 2.324 375 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 375 V C 2.507 178.561 176.094 -0.066 0.000 1.060 375 V CA 2.506 64.771 62.300 -0.058 0.000 1.042 375 V CB -0.956 30.829 31.823 -0.062 0.000 0.650 375 V HN 0.671 nan 8.190 nan 0.000 0.450 376 T N -1.969 112.518 114.554 -0.112 0.000 2.939 376 T HA 0.113 4.463 4.350 -0.000 0.000 0.254 376 T C 1.989 176.661 174.700 -0.047 0.000 1.041 376 T CA 0.950 62.987 62.100 -0.104 0.000 1.142 376 T CB -0.367 68.376 68.868 -0.208 0.000 0.874 376 T HN 0.435 nan 8.240 nan 0.000 0.452 377 A N 1.807 124.602 122.820 -0.041 0.000 1.997 377 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 377 A C 2.325 179.925 177.584 0.027 0.000 1.172 377 A CA 2.046 54.103 52.037 0.034 0.000 0.645 377 A CB -0.904 18.127 19.000 0.051 0.000 0.813 377 A HN 0.708 nan 8.150 nan 0.000 0.454 378 E N -0.241 119.962 120.200 0.005 0.000 2.072 378 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 378 E C 1.427 178.032 176.600 0.008 0.000 0.982 378 E CA 1.090 57.493 56.400 0.006 0.000 0.803 378 E CB -0.150 29.546 29.700 -0.007 0.000 0.755 378 E HN 0.663 nan 8.360 nan 0.000 0.453 379 N N 0.242 118.944 118.700 0.004 0.000 2.409 379 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 379 N C 1.517 177.044 175.510 0.028 0.000 1.032 379 N CA 0.819 53.876 53.050 0.012 0.000 0.898 379 N CB 0.126 38.615 38.487 0.004 0.000 0.971 379 N HN 0.143 nan 8.380 nan 0.000 0.441 380 A N 1.376 124.218 122.820 0.037 0.000 1.874 380 A HA 0.057 4.377 4.320 -0.000 0.000 0.214 380 A C 2.301 179.915 177.584 0.049 0.000 1.189 380 A CA 0.547 52.618 52.037 0.058 0.000 0.615 380 A CB -0.620 18.430 19.000 0.082 0.000 0.830 380 A HN 0.123 nan 8.150 nan 0.000 0.443 381 L N -0.757 120.490 121.223 0.040 0.000 2.191 381 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 381 L C 2.713 179.590 176.870 0.012 0.000 1.103 381 L CA 0.977 55.834 54.840 0.027 0.000 0.769 381 L CB -0.385 41.694 42.059 0.034 0.000 0.908 381 L HN 0.361 nan 8.230 nan 0.000 0.438 382 R N -0.487 120.022 120.500 0.015 0.000 2.189 382 R HA -0.118 4.222 4.340 -0.000 0.000 0.223 382 R C 1.994 178.300 176.300 0.009 0.000 1.092 382 R CA 0.680 56.785 56.100 0.008 0.000 0.989 382 R CB -0.029 30.277 30.300 0.011 0.000 0.876 382 R HN 0.341 nan 8.270 nan 0.000 0.457 383 E N 0.295 120.511 120.200 0.026 0.000 2.060 383 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 383 E C 2.015 178.616 176.600 0.001 0.000 0.974 383 E CA 0.600 57.027 56.400 0.045 0.000 0.808 383 E CB -0.503 29.254 29.700 0.096 0.000 0.768 383 E HN 0.053 nan 8.360 nan 0.000 0.453 384 V N 1.475 121.383 119.914 -0.010 0.000 2.568 384 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 384 V C 2.025 178.047 176.094 -0.120 0.000 1.072 384 V CA 1.225 63.487 62.300 -0.064 0.000 1.084 384 V CB -0.313 31.480 31.823 -0.051 0.000 0.676 384 V HN 0.175 nan 8.190 nan 0.000 0.469 385 I N -0.875 119.640 120.570 -0.091 0.000 2.333 385 I HA -0.128 4.042 4.170 -0.000 0.000 0.246 385 I C 2.733 178.789 176.117 -0.101 0.000 1.106 385 I CA 1.273 62.509 61.300 -0.107 0.000 1.411 385 I CB -0.576 37.387 38.000 -0.062 0.000 1.082 385 I HN 0.187 nan 8.210 nan 0.000 0.420 386 R N 1.031 121.485 120.500 -0.077 0.000 2.083 386 R HA -0.237 4.103 4.340 -0.000 0.000 0.237 386 R C 2.473 178.676 176.300 -0.161 0.000 1.137 386 R CA 1.860 57.914 56.100 -0.076 0.000 0.951 386 R CB -0.253 30.032 30.300 -0.026 0.000 0.851 386 R HN 0.143 nan 8.270 nan 0.000 0.434 387 R N 0.611 120.945 120.500 -0.277 0.000 2.092 387 R HA 0.008 4.348 4.340 -0.000 0.000 0.231 387 R C 1.923 178.085 176.300 -0.230 0.000 1.119 387 R CA 1.799 57.623 56.100 -0.459 0.000 0.970 387 R CB -0.759 29.131 30.300 -0.683 0.000 0.864 387 R HN 0.249 nan 8.270 nan 0.000 0.440 388 A N 0.529 123.247 122.820 -0.169 0.000 1.883 388 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 388 A C 2.122 179.761 177.584 0.091 0.000 1.186 388 A CA 1.911 53.891 52.037 -0.095 0.000 0.624 388 A CB -0.740 18.039 19.000 -0.369 0.000 0.822 388 A HN 0.468 nan 8.150 nan 0.000 0.444 389 E N -0.522 119.682 120.200 0.007 0.000 2.153 389 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 389 E C 1.923 178.543 176.600 0.033 0.000 0.988 389 E CA 1.468 57.899 56.400 0.051 0.000 0.811 389 E CB -0.342 29.362 29.700 0.007 0.000 0.746 389 E HN 0.615 nan 8.360 nan 0.000 0.466 390 M N -0.800 118.783 119.600 -0.030 0.000 2.296 390 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 390 M C 1.949 178.235 176.300 -0.023 0.000 1.064 390 M CA 1.438 56.709 55.300 -0.049 0.000 1.109 390 M CB -0.015 32.505 32.600 -0.133 0.000 1.396 390 M HN 0.221 nan 8.290 nan 0.000 0.430 391 A N 0.943 123.771 122.820 0.012 0.000 1.933 391 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 391 A C 1.815 179.391 177.584 -0.014 0.000 1.175 391 A CA 1.316 53.367 52.037 0.024 0.000 0.628 391 A CB -0.766 18.319 19.000 0.141 0.000 0.814 391 A HN 0.547 nan 8.150 nan 0.000 0.444 392 I N -0.425 120.156 120.570 0.018 0.000 2.286 392 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 392 I C 2.532 178.636 176.117 -0.021 0.000 1.115 392 I CA 1.251 62.537 61.300 -0.023 0.000 1.392 392 I CB -1.462 36.555 38.000 0.029 0.000 1.065 392 I HN 0.380 nan 8.210 nan 0.000 0.418 393 Q N 0.356 120.153 119.800 -0.005 0.000 2.137 393 Q HA 0.090 4.430 4.340 -0.000 0.000 0.198 393 Q C 1.302 177.297 176.000 -0.008 0.000 0.960 393 Q CA 1.219 57.019 55.803 -0.005 0.000 0.847 393 Q CB 0.379 29.117 28.738 0.001 0.000 0.915 393 Q HN 0.648 nan 8.270 nan 0.000 0.448 394 G N -0.629 108.164 108.800 -0.012 0.000 2.250 394 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.196 394 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.196 394 G C -1.201 173.697 174.900 -0.003 0.000 1.308 394 G CA -0.293 44.802 45.100 -0.009 0.000 1.207 394 G HN 0.047 nan 8.290 nan 0.000 0.505 395 V N 3.991 123.910 119.914 0.009 0.000 2.509 395 V HA 0.648 4.768 4.120 -0.000 0.000 0.284 395 V C -1.393 174.719 176.094 0.031 0.000 1.047 395 V CA -0.366 61.948 62.300 0.023 0.000 0.952 395 V CB 1.302 33.143 31.823 0.031 0.000 0.988 395 V HN 0.727 nan 8.190 nan 0.000 0.469 396 P HA 0.510 nan 4.420 nan 0.000 0.298 396 P C -1.535 175.809 177.300 0.073 0.000 1.341 396 P CA -0.957 62.176 63.100 0.055 0.000 0.988 396 P CB 1.782 33.517 31.700 0.058 0.000 1.265 397 E N 1.126 121.367 120.200 0.067 0.000 2.366 397 E HA 0.269 4.619 4.350 -0.000 0.000 0.266 397 E C 0.230 176.888 176.600 0.098 0.000 1.015 397 E CA -0.019 56.423 56.400 0.070 0.000 0.906 397 E CB 0.042 29.776 29.700 0.057 0.000 0.979 397 E HN 0.468 nan 8.360 nan 0.000 0.443 398 E N 0.625 120.891 120.200 0.110 0.000 2.449 398 E HA 0.516 4.866 4.350 -0.000 0.000 0.278 398 E C -1.062 175.602 176.600 0.107 0.000 0.992 398 E CA -1.202 55.288 56.400 0.150 0.000 0.807 398 E CB 1.202 31.051 29.700 0.248 0.000 1.350 398 E HN 0.227 nan 8.360 nan 0.000 0.462 399 T N 1.530 116.135 114.554 0.086 0.000 2.753 399 T HA 0.449 4.799 4.350 -0.000 0.000 0.297 399 T C -0.468 174.214 174.700 -0.031 0.000 0.981 399 T CA -0.559 61.550 62.100 0.015 0.000 0.956 399 T CB 0.390 69.245 68.868 -0.021 0.000 0.936 399 T HN 0.280 nan 8.240 nan 0.000 0.463 400 R N 1.740 122.236 120.500 -0.007 0.000 2.892 400 R HA 0.664 5.004 4.340 -0.000 0.000 0.265 400 R C -0.278 176.006 176.300 -0.028 0.000 1.025 400 R CA -1.246 54.842 56.100 -0.020 0.000 0.982 400 R CB 1.966 32.292 30.300 0.042 0.000 1.185 400 R HN 0.554 nan 8.270 nan 0.000 0.484 401 K N -0.056 120.324 120.400 -0.034 0.000 2.238 401 K HA 0.738 5.058 4.320 -0.000 0.000 0.239 401 K C -1.059 175.536 176.600 -0.008 0.000 0.987 401 K CA -0.860 55.410 56.287 -0.027 0.000 0.857 401 K CB 1.998 34.473 32.500 -0.043 0.000 1.154 401 K HN 0.543 nan 8.250 nan 0.000 0.439 402 A N 3.014 125.831 122.820 -0.006 0.000 2.331 402 A HA 0.404 4.724 4.320 -0.000 0.000 0.283 402 A C -0.261 177.324 177.584 0.001 0.000 1.142 402 A CA -0.916 51.121 52.037 0.001 0.000 0.812 402 A CB 0.170 19.171 19.000 0.001 0.000 1.074 402 A HN 0.701 nan 8.150 nan 0.000 0.497 403 L N 2.595 123.822 121.223 0.007 0.000 2.488 403 L HA 0.256 4.596 4.340 -0.000 0.000 0.249 403 L C -1.146 175.728 176.870 0.006 0.000 1.151 403 L CA -1.798 53.047 54.840 0.007 0.000 0.806 403 L CB 0.894 42.961 42.059 0.014 0.000 1.261 403 L HN 0.510 nan 8.230 nan 0.000 0.484 404 P HA -0.158 nan 4.420 nan 0.000 0.214 404 P C -0.126 177.179 177.300 0.007 0.000 1.163 404 P CA 1.194 64.297 63.100 0.005 0.000 0.889 404 P CB -0.045 31.658 31.700 0.004 0.000 0.790 405 D N -1.440 118.966 120.400 0.010 0.000 2.301 405 D HA 0.029 4.669 4.640 -0.000 0.000 0.287 405 D C 1.706 178.015 176.300 0.015 0.000 1.179 405 D CA 0.278 54.286 54.000 0.013 0.000 1.060 405 D CB -0.772 40.037 40.800 0.016 0.000 1.135 405 D HN 0.046 nan 8.370 nan 0.000 0.531 406 G N -1.125 107.686 108.800 0.019 0.000 2.880 406 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.209 406 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.209 406 G C 0.715 175.628 174.900 0.021 0.000 1.157 406 G CA -0.163 44.948 45.100 0.019 0.000 0.779 406 G HN 0.264 nan 8.290 nan 0.000 0.539 407 N N 0.921 119.636 118.700 0.025 0.000 2.255 407 N HA 0.315 5.055 4.740 -0.000 0.000 0.253 407 N C 0.572 176.098 175.510 0.027 0.000 1.313 407 N CA 0.763 53.830 53.050 0.029 0.000 0.912 407 N CB 0.385 38.892 38.487 0.033 0.000 1.145 407 N HN 0.283 nan 8.380 nan 0.000 0.511 408 T N -3.385 111.190 114.554 0.035 0.000 2.812 408 T HA 0.606 4.956 4.350 -0.000 0.000 0.294 408 T C -0.996 173.732 174.700 0.048 0.000 1.159 408 T CA -0.949 61.171 62.100 0.034 0.000 1.008 408 T CB 1.943 70.832 68.868 0.034 0.000 1.289 408 T HN 0.372 nan 8.240 nan 0.000 0.514 409 Q N -0.003 119.822 119.800 0.041 0.000 2.315 409 Q HA 0.360 4.700 4.340 -0.000 0.000 0.273 409 Q C -1.729 174.301 176.000 0.050 0.000 1.053 409 Q CA -0.984 54.854 55.803 0.059 0.000 0.817 409 Q CB 2.630 31.385 28.738 0.029 0.000 1.326 409 Q HN 0.769 nan 8.270 nan 0.000 0.423 410 Y N 2.530 122.829 120.300 -0.002 0.000 2.805 410 Y HA -0.083 4.467 4.550 -0.000 0.000 0.337 410 Y C -0.333 175.491 175.900 -0.126 0.000 1.252 410 Y CA 1.156 59.217 58.100 -0.064 0.000 1.515 410 Y CB 0.362 38.721 38.460 -0.169 0.000 1.305 410 Y HN 0.713 nan 8.280 nan 0.000 0.600 411 L N 4.136 124.583 121.223 -1.293 0.000 2.769 411 L HA 0.362 4.702 4.340 -0.000 0.000 0.175 411 L C -0.163 175.904 176.870 -1.337 0.000 1.099 411 L CA -0.175 54.022 54.840 -1.072 0.000 0.876 411 L CB 0.406 42.197 42.059 -0.446 0.000 1.498 411 L HN 0.682 nan 8.230 nan 0.000 0.499 412 R N -0.886 119.143 120.500 -0.785 0.000 2.728 412 R HA 0.478 4.818 4.340 -0.000 0.000 0.274 412 R C -3.083 173.279 176.300 0.104 0.000 1.030 412 R CA -1.553 54.425 56.100 -0.203 0.000 0.876 412 R CB 0.502 30.729 30.300 -0.121 0.000 1.259 412 R HN -0.303 nan 8.270 nan 0.000 0.468 413 P HA -0.073 nan 4.420 nan 0.000 0.272 413 P C -0.637 176.724 177.300 0.100 0.000 1.243 413 P CA -0.423 62.776 63.100 0.164 0.000 0.803 413 P CB 0.312 32.091 31.700 0.132 0.000 0.974 414 L N 2.336 123.614 121.223 0.091 0.000 2.380 414 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 414 L C -2.157 174.747 176.870 0.057 0.000 1.138 414 L CA -1.699 53.181 54.840 0.067 0.000 0.832 414 L CB -0.555 41.542 42.059 0.064 0.000 1.124 414 L HN 0.275 nan 8.230 nan 0.000 0.454 415 P HA 0.086 nan 4.420 nan 0.000 0.265 415 P C -0.871 176.458 177.300 0.049 0.000 1.187 415 P CA -0.096 63.031 63.100 0.046 0.000 0.766 415 P CB 0.171 31.896 31.700 0.041 0.000 0.820 416 T N -0.246 114.338 114.554 0.051 0.000 2.900 416 T HA 0.094 4.444 4.350 -0.000 0.000 0.307 416 T C 0.517 175.247 174.700 0.049 0.000 1.065 416 T CA -0.663 61.467 62.100 0.051 0.000 1.105 416 T CB 0.233 69.133 68.868 0.054 0.000 0.979 416 T HN 0.241 nan 8.240 nan 0.000 0.544 417 S N 1.931 117.659 115.700 0.046 0.000 2.673 417 S HA 0.105 4.575 4.470 -0.000 0.000 0.308 417 S C 0.901 175.530 174.600 0.049 0.000 1.246 417 S CA -0.280 57.946 58.200 0.043 0.000 1.077 417 S CB -0.614 62.609 63.200 0.039 0.000 0.814 417 S HN 1.031 nan 8.310 nan 0.000 0.503 418 S N 6.066 121.796 115.700 0.049 0.000 2.962 418 S HA 0.118 4.588 4.470 -0.000 0.000 0.320 418 S C 0.248 174.883 174.600 0.059 0.000 1.186 418 S CA -0.736 57.497 58.200 0.055 0.000 1.180 418 S CB -0.546 62.685 63.200 0.052 0.000 1.491 418 S HN 0.748 nan 8.310 nan 0.000 0.556 419 R N 3.053 123.594 120.500 0.068 0.000 2.537 419 R HA 0.578 4.918 4.340 -0.000 0.000 0.280 419 R C 0.085 176.447 176.300 0.103 0.000 1.058 419 R CA -0.320 55.825 56.100 0.076 0.000 1.057 419 R CB 0.011 30.356 30.300 0.075 0.000 0.973 419 R HN 0.729 nan 8.270 nan 0.000 0.438 420 M N 1.673 121.339 119.600 0.110 0.000 2.373 420 M HA 0.381 4.861 4.480 -0.000 0.000 0.290 420 M C -1.544 174.852 176.300 0.159 0.000 1.143 420 M CA -1.213 54.161 55.300 0.124 0.000 0.949 420 M CB 1.611 34.236 32.600 0.041 0.000 1.756 420 M HN 0.750 nan 8.290 nan 0.000 0.494 421 Y N 0.503 120.753 120.300 -0.084 0.000 2.730 421 Y HA 0.908 5.458 4.550 -0.000 0.000 0.325 421 Y C -1.184 174.642 175.900 -0.123 0.000 1.132 421 Y CA -1.686 56.358 58.100 -0.093 0.000 1.206 421 Y CB 0.826 39.227 38.460 -0.097 0.000 1.390 421 Y HN 0.554 nan 8.280 nan 0.000 0.555 422 L N 1.591 122.747 121.223 -0.111 0.000 2.349 422 L HA 0.255 4.595 4.340 -0.000 0.000 0.275 422 L C -0.101 176.541 176.870 -0.380 0.000 1.115 422 L CA -0.149 54.563 54.840 -0.213 0.000 0.820 422 L CB 0.439 42.450 42.059 -0.081 0.000 1.135 422 L HN 0.595 nan 8.230 nan 0.000 0.445 423 E N 0.847 120.828 120.200 -0.366 0.000 1.941 423 E HA 0.093 4.443 4.350 -0.000 0.000 0.275 423 E C 0.892 177.351 176.600 -0.235 0.000 1.113 423 E CA -0.007 56.169 56.400 -0.373 0.000 0.878 423 E CB 0.396 29.892 29.700 -0.339 0.000 1.070 423 E HN 0.667 nan 8.360 nan 0.000 0.399 424 T N 0.580 115.024 114.554 -0.183 0.000 3.072 424 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 424 T C 0.654 175.294 174.700 -0.101 0.000 1.127 424 T CA 0.654 62.682 62.100 -0.118 0.000 1.107 424 T CB -0.001 68.823 68.868 -0.072 0.000 0.910 424 T HN 0.265 nan 8.240 nan 0.000 0.513 425 D N 1.363 121.697 120.400 -0.110 0.000 2.277 425 D HA 0.155 4.795 4.640 -0.000 0.000 0.208 425 D C 0.655 176.897 176.300 -0.096 0.000 0.962 425 D CA 0.467 54.417 54.000 -0.083 0.000 0.865 425 D CB 0.026 40.789 40.800 -0.062 0.000 0.939 425 D HN 0.513 nan 8.370 nan 0.000 0.510 426 I N 1.833 122.317 120.570 -0.144 0.000 2.354 426 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 426 I C -2.142 173.932 176.117 -0.071 0.000 0.989 426 I CA -2.132 59.092 61.300 -0.126 0.000 1.188 426 I CB 1.532 39.373 38.000 -0.265 0.000 1.342 426 I HN -0.340 nan 8.210 nan 0.000 0.457 427 P HA 0.211 nan 4.420 nan 0.000 0.271 427 P C -0.458 176.858 177.300 0.027 0.000 1.244 427 P CA -0.379 62.709 63.100 -0.020 0.000 0.793 427 P CB 0.529 32.224 31.700 -0.009 0.000 0.984 428 L N 0.065 121.282 121.223 -0.011 0.000 2.456 428 L HA 0.395 4.735 4.340 -0.000 0.000 0.257 428 L C 0.129 177.123 176.870 0.206 0.000 1.162 428 L CA -0.294 54.581 54.840 0.059 0.000 0.808 428 L CB 0.076 42.103 42.059 -0.053 0.000 1.136 428 L HN 0.323 nan 8.230 nan 0.000 0.466 429 F N 1.082 121.158 119.950 0.210 0.000 2.539 429 F HA 0.411 4.938 4.527 -0.000 0.000 0.328 429 F C -0.153 175.756 175.800 0.182 0.000 1.148 429 F CA -0.796 57.316 58.000 0.186 0.000 0.940 429 F CB 0.998 40.121 39.000 0.205 0.000 1.194 429 F HN 0.343 nan 8.300 nan 0.000 0.438 430 R N 6.821 127.490 120.500 0.282 0.000 2.254 430 R HA 0.430 4.770 4.340 -0.000 0.000 0.318 430 R C -0.566 175.995 176.300 0.434 0.000 1.031 430 R CA -0.576 55.693 56.100 0.282 0.000 0.905 430 R CB 1.320 31.681 30.300 0.102 0.000 1.050 430 R HN 0.656 nan 8.270 nan 0.000 0.456 431 I N 3.799 124.589 120.570 0.367 0.000 2.227 431 I HA 0.017 4.187 4.170 -0.000 0.000 0.297 431 I C 0.386 176.612 176.117 0.181 0.000 1.173 431 I CA -0.190 61.288 61.300 0.296 0.000 1.356 431 I CB 0.097 38.191 38.000 0.157 0.000 1.485 431 I HN 0.358 nan 8.210 nan 0.000 0.604 432 E N 4.779 125.084 120.200 0.176 0.000 3.111 432 E HA -0.199 4.151 4.350 -0.000 0.000 0.230 432 E C 0.952 177.598 176.600 0.077 0.000 1.035 432 E CA 0.353 56.814 56.400 0.101 0.000 0.944 432 E CB 0.255 30.006 29.700 0.085 0.000 0.919 432 E HN 0.519 nan 8.360 nan 0.000 0.554 433 D N 3.405 123.841 120.400 0.061 0.000 2.220 433 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 433 D C 0.703 177.025 176.300 0.037 0.000 1.001 433 D CA 1.145 55.172 54.000 0.045 0.000 0.875 433 D CB 0.371 41.194 40.800 0.037 0.000 0.921 433 D HN 0.464 nan 8.370 nan 0.000 0.454 434 D N -0.013 120.409 120.400 0.037 0.000 2.144 434 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 434 D C 2.192 178.511 176.300 0.030 0.000 0.978 434 D CA 0.434 54.451 54.000 0.029 0.000 0.833 434 D CB -0.095 40.721 40.800 0.027 0.000 0.961 434 D HN 0.373 nan 8.370 nan 0.000 0.470 435 L N 0.346 121.594 121.223 0.041 0.000 2.509 435 L HA 0.018 4.358 4.340 -0.000 0.000 0.222 435 L C 2.172 179.061 176.870 0.032 0.000 1.123 435 L CA -0.093 54.771 54.840 0.040 0.000 0.856 435 L CB 0.061 42.157 42.059 0.061 0.000 0.985 435 L HN -0.011 nan 8.230 nan 0.000 0.456 436 L N 0.018 121.260 121.223 0.033 0.000 2.156 436 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 436 L C 2.191 179.068 176.870 0.011 0.000 1.095 436 L CA 1.773 56.625 54.840 0.020 0.000 0.770 436 L CB -0.248 41.827 42.059 0.026 0.000 0.914 436 L HN 0.180 nan 8.230 nan 0.000 0.439 437 E N -1.040 119.168 120.200 0.014 0.000 2.371 437 E HA -0.005 4.345 4.350 -0.000 0.000 0.194 437 E C 1.864 178.468 176.600 0.006 0.000 1.012 437 E CA 0.527 56.933 56.400 0.009 0.000 0.860 437 E CB -0.208 29.499 29.700 0.011 0.000 0.811 437 E HN 0.603 nan 8.360 nan 0.000 0.502 438 G N 0.552 109.357 108.800 0.009 0.000 2.708 438 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.210 438 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.210 438 G C 1.242 176.142 174.900 0.001 0.000 1.141 438 G CA 0.474 45.578 45.100 0.006 0.000 0.788 438 G HN 0.152 nan 8.290 nan 0.000 0.531 439 I N -1.945 118.624 120.570 -0.003 0.000 3.878 439 I HA 0.159 4.329 4.170 -0.000 0.000 0.273 439 I C 2.231 178.342 176.117 -0.010 0.000 1.165 439 I CA -0.253 61.041 61.300 -0.010 0.000 1.360 439 I CB -0.060 37.929 38.000 -0.017 0.000 1.539 439 I HN 0.010 nan 8.210 nan 0.000 0.447 440 R N 2.395 122.890 120.500 -0.008 0.000 2.246 440 R HA -0.200 4.140 4.340 -0.000 0.000 0.266 440 R C 1.298 177.595 176.300 -0.005 0.000 1.163 440 R CA 1.973 58.069 56.100 -0.007 0.000 0.992 440 R CB -0.333 29.966 30.300 -0.001 0.000 0.895 440 R HN 0.302 nan 8.270 nan 0.000 0.465 441 R N -0.946 119.552 120.500 -0.003 0.000 2.696 441 R HA 0.294 4.634 4.340 -0.000 0.000 0.355 441 R C -0.021 176.277 176.300 -0.002 0.000 1.138 441 R CA 0.219 56.318 56.100 -0.001 0.000 1.059 441 R CB 0.165 30.466 30.300 0.002 0.000 1.380 441 R HN 0.332 nan 8.270 nan 0.000 0.578 442 N N -0.110 118.586 118.700 -0.006 0.000 2.193 442 N HA 0.130 4.870 4.740 -0.000 0.000 0.236 442 N C -0.534 174.969 175.510 -0.011 0.000 1.347 442 N CA -0.173 52.873 53.050 -0.007 0.000 0.812 442 N CB 0.898 39.381 38.487 -0.007 0.000 1.297 442 N HN -0.036 nan 8.380 nan 0.000 0.499 443 L N 1.824 123.038 121.223 -0.014 0.000 2.517 443 L HA 0.068 4.408 4.340 -0.000 0.000 0.294 443 L C -1.999 174.860 176.870 -0.018 0.000 1.264 443 L CA -0.635 54.193 54.840 -0.020 0.000 0.839 443 L CB -0.369 41.677 42.059 -0.022 0.000 1.098 443 L HN -0.134 nan 8.230 nan 0.000 0.525 444 P HA 0.167 nan 4.420 nan 0.000 0.281 444 P C -1.215 176.075 177.300 -0.018 0.000 1.249 444 P CA -0.776 62.312 63.100 -0.020 0.000 0.810 444 P CB 0.673 32.357 31.700 -0.026 0.000 1.008 445 E N 2.662 122.855 120.200 -0.012 0.000 2.354 445 E HA 0.219 4.569 4.350 -0.000 0.000 0.269 445 E C -0.414 176.178 176.600 -0.013 0.000 1.036 445 E CA -0.602 55.794 56.400 -0.007 0.000 0.876 445 E CB 0.334 30.036 29.700 0.003 0.000 1.009 445 E HN 0.261 nan 8.360 nan 0.000 0.416 446 L N 2.942 124.157 121.223 -0.013 0.000 2.474 446 L HA 0.098 4.438 4.340 -0.000 0.000 0.259 446 L C -1.528 175.333 176.870 -0.014 0.000 1.232 446 L CA -1.619 53.207 54.840 -0.023 0.000 0.821 446 L CB -0.116 41.929 42.059 -0.022 0.000 1.108 446 L HN 0.445 nan 8.230 nan 0.000 0.495 447 P HA -0.194 nan 4.420 nan 0.000 0.214 447 P C 1.859 179.166 177.300 0.011 0.000 1.163 447 P CA 1.411 64.506 63.100 -0.008 0.000 0.889 447 P CB 0.142 31.831 31.700 -0.019 0.000 0.790 448 S N -0.519 115.192 115.700 0.019 0.000 2.393 448 S HA -0.323 4.147 4.470 -0.000 0.000 0.234 448 S C 1.814 176.434 174.600 0.033 0.000 1.064 448 S CA 2.076 60.298 58.200 0.037 0.000 1.088 448 S CB -0.901 62.329 63.200 0.050 0.000 0.939 448 S HN 0.240 nan 8.310 nan 0.000 0.448 449 E N 0.079 120.294 120.200 0.026 0.000 2.106 449 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 449 E C 2.186 178.805 176.600 0.032 0.000 0.984 449 E CA 1.199 57.615 56.400 0.027 0.000 0.806 449 E CB -0.145 29.567 29.700 0.020 0.000 0.750 449 E HN 0.425 nan 8.360 nan 0.000 0.458 450 K N 1.926 122.341 120.400 0.025 0.000 2.002 450 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 450 K C 1.703 178.328 176.600 0.043 0.000 1.048 450 K CA 1.617 57.921 56.287 0.029 0.000 0.930 450 K CB 0.031 32.541 32.500 0.017 0.000 0.714 450 K HN -0.074 nan 8.250 nan 0.000 0.438 451 K N 0.586 121.010 120.400 0.039 0.000 2.001 451 K HA -0.288 4.032 4.320 -0.000 0.000 0.223 451 K C 2.214 178.851 176.600 0.060 0.000 1.055 451 K CA 2.233 58.547 56.287 0.046 0.000 0.965 451 K CB -0.474 32.050 32.500 0.040 0.000 0.730 451 K HN 0.376 nan 8.250 nan 0.000 0.449 452 E N 1.184 121.417 120.200 0.055 0.000 2.049 452 E HA -0.289 4.061 4.350 -0.000 0.000 0.198 452 E C 2.372 179.017 176.600 0.076 0.000 1.007 452 E CA 1.364 57.799 56.400 0.059 0.000 0.809 452 E CB -0.026 29.703 29.700 0.047 0.000 0.749 452 E HN 0.216 nan 8.360 nan 0.000 0.450 453 R N 0.325 120.870 120.500 0.075 0.000 2.097 453 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 453 R C 2.588 178.984 176.300 0.159 0.000 1.135 453 R CA 1.998 58.156 56.100 0.095 0.000 0.934 453 R CB -0.468 29.880 30.300 0.079 0.000 0.846 453 R HN 0.317 nan 8.270 nan 0.000 0.431 454 I N 0.683 121.351 120.570 0.163 0.000 2.118 454 I HA -0.404 3.766 4.170 -0.000 0.000 0.241 454 I C 2.604 178.916 176.117 0.325 0.000 1.070 454 I CA 1.747 63.195 61.300 0.247 0.000 1.327 454 I CB -0.291 37.789 38.000 0.133 0.000 1.034 454 I HN 0.339 nan 8.210 nan 0.000 0.405 455 M N -0.225 119.490 119.600 0.191 0.000 2.115 455 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 455 M C 2.537 178.926 176.300 0.149 0.000 1.071 455 M CA 1.922 57.315 55.300 0.156 0.000 1.100 455 M CB -0.745 31.913 32.600 0.096 0.000 1.292 455 M HN 0.164 nan 8.290 nan 0.000 0.415 456 R N 0.373 120.940 120.500 0.113 0.000 2.153 456 R HA -0.211 4.129 4.340 -0.000 0.000 0.252 456 R C 0.374 176.705 176.300 0.053 0.000 1.158 456 R CA 2.015 58.159 56.100 0.074 0.000 0.975 456 R CB -0.255 30.082 30.300 0.062 0.000 0.871 456 R HN 0.440 nan 8.270 nan 0.000 0.450 457 D N -1.672 118.780 120.400 0.087 0.000 2.462 457 D HA 0.059 4.699 4.640 -0.000 0.000 0.221 457 D C -0.324 175.756 176.300 -0.367 0.000 1.173 457 D CA 0.122 54.070 54.000 -0.086 0.000 0.831 457 D CB 0.605 41.348 40.800 -0.094 0.000 1.001 457 D HN 0.289 nan 8.370 nan 0.000 0.499 458 Y N -0.801 119.549 120.300 0.084 0.000 2.729 458 Y HA 0.218 4.768 4.550 -0.000 0.000 0.266 458 Y C 1.697 177.675 175.900 0.129 0.000 1.064 458 Y CA -0.070 58.117 58.100 0.144 0.000 1.251 458 Y CB 1.142 39.789 38.460 0.310 0.000 1.379 458 Y HN 0.027 nan 8.280 nan 0.000 0.569 459 G N 1.254 110.148 108.800 0.157 0.000 2.186 459 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.266 459 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.266 459 G C 0.241 175.208 174.900 0.111 0.000 0.982 459 G CA 0.401 45.564 45.100 0.104 0.000 0.670 459 G HN 0.284 nan 8.290 nan 0.000 0.533 460 L N 1.660 122.981 121.223 0.162 0.000 2.453 460 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 460 L C 1.636 178.543 176.870 0.061 0.000 1.182 460 L CA 0.283 55.176 54.840 0.089 0.000 0.858 460 L CB 0.837 42.946 42.059 0.083 0.000 1.120 460 L HN 0.492 nan 8.230 nan 0.000 0.474 461 S N 1.789 117.508 115.700 0.032 0.000 2.596 461 S HA 0.017 4.487 4.470 -0.000 0.000 0.260 461 S C 0.957 175.582 174.600 0.042 0.000 1.336 461 S CA -0.521 57.700 58.200 0.035 0.000 0.993 461 S CB 1.333 64.549 63.200 0.028 0.000 0.923 461 S HN 0.676 nan 8.310 nan 0.000 0.567 462 E N 0.827 121.051 120.200 0.040 0.000 2.058 462 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 462 E C 1.611 178.235 176.600 0.041 0.000 0.997 462 E CA 1.584 58.007 56.400 0.039 0.000 0.801 462 E CB -0.580 29.140 29.700 0.033 0.000 0.746 462 E HN 0.882 nan 8.360 nan 0.000 0.450 463 D N 0.314 120.742 120.400 0.047 0.000 2.104 463 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 463 D C 2.398 178.746 176.300 0.079 0.000 0.994 463 D CA 0.830 54.863 54.000 0.054 0.000 0.830 463 D CB -0.137 40.706 40.800 0.071 0.000 0.959 463 D HN 0.190 nan 8.370 nan 0.000 0.452 464 L N 0.516 121.803 121.223 0.107 0.000 2.012 464 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 464 L C 2.753 179.644 176.870 0.035 0.000 1.073 464 L CA 1.444 56.352 54.840 0.115 0.000 0.748 464 L CB -0.334 41.731 42.059 0.011 0.000 0.891 464 L HN 0.031 nan 8.230 nan 0.000 0.431 465 A N -1.554 121.278 122.820 0.021 0.000 1.930 465 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 465 A C 2.457 180.053 177.584 0.020 0.000 1.175 465 A CA 1.838 53.887 52.037 0.019 0.000 0.627 465 A CB -0.617 18.411 19.000 0.047 0.000 0.815 465 A HN 0.419 nan 8.150 nan 0.000 0.443 466 S N -1.040 114.674 115.700 0.024 0.000 2.363 466 S HA -0.246 4.224 4.470 -0.000 0.000 0.218 466 S C 2.234 176.834 174.600 0.001 0.000 1.035 466 S CA 1.932 60.141 58.200 0.015 0.000 1.043 466 S CB -0.395 62.813 63.200 0.013 0.000 0.986 466 S HN 0.523 nan 8.310 nan 0.000 0.423 467 Q N 1.078 120.873 119.800 -0.007 0.000 2.096 467 Q HA -0.064 4.276 4.340 -0.000 0.000 0.208 467 Q C 2.220 178.210 176.000 -0.016 0.000 0.993 467 Q CA 1.737 57.521 55.803 -0.031 0.000 0.862 467 Q CB -0.890 27.807 28.738 -0.068 0.000 0.915 467 Q HN 0.583 nan 8.270 nan 0.000 0.416 468 L N -0.825 120.395 121.223 -0.005 0.000 2.013 468 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 468 L C 2.196 179.064 176.870 -0.003 0.000 1.073 468 L CA 1.120 55.954 54.840 -0.010 0.000 0.753 468 L CB -0.535 41.506 42.059 -0.031 0.000 0.890 468 L HN 0.124 nan 8.230 nan 0.000 0.432 469 V N -0.806 119.108 119.914 0.001 0.000 2.307 469 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 469 V C 2.531 178.620 176.094 -0.008 0.000 1.045 469 V CA 1.441 63.741 62.300 0.000 0.000 1.024 469 V CB -0.544 31.283 31.823 0.006 0.000 0.651 469 V HN 0.359 nan 8.190 nan 0.000 0.449 470 K N 0.393 120.787 120.400 -0.010 0.000 2.127 470 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 470 K C 2.028 178.616 176.600 -0.020 0.000 1.047 470 K CA 1.441 57.718 56.287 -0.017 0.000 0.927 470 K CB -0.256 32.231 32.500 -0.023 0.000 0.716 470 K HN 0.441 nan 8.250 nan 0.000 0.450 471 R N 0.388 120.876 120.500 -0.020 0.000 2.334 471 R HA 0.018 4.358 4.340 -0.000 0.000 0.216 471 R C 0.145 176.437 176.300 -0.013 0.000 0.905 471 R CA -0.097 55.992 56.100 -0.019 0.000 1.064 471 R CB -0.314 29.974 30.300 -0.020 0.000 1.046 471 R HN 0.170 nan 8.270 nan 0.000 0.508 472 N N 1.165 119.858 118.700 -0.011 0.000 2.696 472 N HA -0.181 4.559 4.740 -0.000 0.000 0.256 472 N C -0.283 175.226 175.510 -0.002 0.000 1.031 472 N CA 0.404 53.449 53.050 -0.008 0.000 0.730 472 N CB -1.095 37.383 38.487 -0.014 0.000 0.894 472 N HN 0.353 nan 8.380 nan 0.000 0.544 473 L N -0.623 120.604 121.223 0.006 0.000 2.966 473 L HA 0.209 4.549 4.340 -0.000 0.000 0.262 473 L C 1.722 178.616 176.870 0.040 0.000 1.165 473 L CA -0.287 54.564 54.840 0.019 0.000 0.978 473 L CB 0.348 42.418 42.059 0.019 0.000 1.337 473 L HN 0.084 nan 8.230 nan 0.000 0.563 474 V N 0.343 120.276 119.914 0.031 0.000 2.282 474 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 474 V C 1.746 177.850 176.094 0.018 0.000 1.057 474 V CA 2.399 64.725 62.300 0.044 0.000 1.032 474 V CB -0.368 31.466 31.823 0.017 0.000 0.645 474 V HN 0.454 nan 8.190 nan 0.000 0.447 475 D N -0.882 119.518 120.400 0.000 0.000 2.265 475 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 475 D C 2.065 178.357 176.300 -0.013 0.000 0.977 475 D CA 0.879 54.870 54.000 -0.016 0.000 0.871 475 D CB -0.024 40.768 40.800 -0.013 0.000 0.925 475 D HN 0.510 nan 8.370 nan 0.000 0.485 476 E N -0.095 120.115 120.200 0.018 0.000 2.011 476 E HA 0.074 4.424 4.350 -0.000 0.000 0.191 476 E C 0.686 177.317 176.600 0.051 0.000 0.979 476 E CA -0.117 56.303 56.400 0.032 0.000 0.822 476 E CB -0.469 29.261 29.700 0.049 0.000 0.782 476 E HN 0.178 nan 8.360 nan 0.000 0.459 487 T N -3.449 111.253 114.554 0.246 0.000 12.818 487 T HA -0.431 3.919 4.350 -0.000 0.000 0.419 487 T C 1.797 176.587 174.700 0.149 0.000 1.441 487 T CA 2.682 65.062 62.100 0.468 0.000 2.373 487 T CB -2.053 67.118 68.868 0.504 0.000 2.831 487 T HN 0.085 nan 8.240 nan 0.000 0.727 488 T N 2.969 117.553 114.554 0.050 0.000 2.848 488 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 488 T C 2.184 176.789 174.700 -0.159 0.000 1.081 488 T CA 2.560 64.606 62.100 -0.091 0.000 1.125 488 T CB -0.789 68.043 68.868 -0.059 0.000 0.848 488 T HN 1.125 nan 8.240 nan 0.000 0.503 489 V N -0.540 119.326 119.914 -0.080 0.000 2.492 489 V HA 0.118 4.238 4.120 -0.000 0.000 0.241 489 V C 2.210 178.256 176.094 -0.080 0.000 1.041 489 V CA 0.611 62.859 62.300 -0.087 0.000 1.057 489 V CB -0.947 30.857 31.823 -0.031 0.000 0.711 489 V HN 0.423 nan 8.190 nan 0.000 0.468 490 I N 1.740 122.315 120.570 0.009 0.000 2.300 490 I HA -0.252 3.918 4.170 -0.000 0.000 0.252 490 I C 2.835 178.902 176.117 -0.084 0.000 1.119 490 I CA 1.942 63.291 61.300 0.082 0.000 1.384 490 I CB -0.690 37.538 38.000 0.380 0.000 1.062 490 I HN 0.437 nan 8.210 nan 0.000 0.426 491 A N 0.912 123.487 122.820 -0.409 0.000 1.861 491 A HA -0.133 4.187 4.320 -0.000 0.000 0.212 491 A C 2.416 179.839 177.584 -0.268 0.000 1.199 491 A CA 1.401 53.097 52.037 -0.567 0.000 0.613 491 A CB -0.876 17.556 19.000 -0.946 0.000 0.846 491 A HN 0.469 nan 8.150 nan 0.000 0.446 492 S N 0.260 115.776 115.700 -0.307 0.000 2.528 492 S HA -0.073 4.397 4.470 -0.000 0.000 0.244 492 S C 1.061 175.581 174.600 -0.134 0.000 0.982 492 S CA 1.363 59.339 58.200 -0.373 0.000 0.953 492 S CB -0.642 62.247 63.200 -0.520 0.000 0.754 492 S HN 0.809 nan 8.310 nan 0.000 0.529 493 L N -2.860 118.321 121.223 -0.070 0.000 2.857 493 L HA 0.613 4.953 4.340 -0.000 0.000 0.249 493 L C 0.872 177.752 176.870 0.017 0.000 1.172 493 L CA 0.321 55.157 54.840 -0.007 0.000 0.980 493 L CB -0.323 41.728 42.059 -0.014 0.000 1.299 493 L HN 0.161 nan 8.230 nan 0.000 0.535 494 L N -0.729 120.504 121.223 0.016 0.000 2.730 494 L HA 0.496 4.836 4.340 -0.000 0.000 0.236 494 L C 2.190 179.084 176.870 0.040 0.000 1.061 494 L CA 0.809 55.661 54.840 0.020 0.000 0.898 494 L CB 0.041 42.103 42.059 0.005 0.000 1.270 494 L HN 0.233 nan 8.230 nan 0.000 0.500 495 A N -1.474 121.402 122.820 0.093 0.000 2.169 495 A HA 0.108 4.428 4.320 -0.000 0.000 0.210 495 A C 1.397 179.091 177.584 0.184 0.000 1.168 495 A CA 0.612 52.731 52.037 0.138 0.000 0.813 495 A CB 0.043 19.157 19.000 0.190 0.000 0.861 495 A HN 0.305 nan 8.150 nan 0.000 0.481 496 Y N -1.051 119.217 120.300 -0.054 0.000 2.740 496 Y HA 0.079 4.629 4.550 -0.000 0.000 0.257 496 Y C 2.660 178.541 175.900 -0.031 0.000 1.064 496 Y CA 1.190 59.266 58.100 -0.041 0.000 1.351 496 Y CB -0.532 37.902 38.460 -0.043 0.000 1.439 496 Y HN 0.152 nan 8.280 nan 0.000 0.488 497 T N 1.483 116.129 114.554 0.154 0.000 2.777 497 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 497 T C 1.924 176.648 174.700 0.040 0.000 1.040 497 T CA 1.208 63.352 62.100 0.073 0.000 1.141 497 T CB -0.599 68.297 68.868 0.047 0.000 0.868 497 T HN 0.133 nan 8.240 nan 0.000 0.444 498 L N 0.827 122.071 121.223 0.036 0.000 2.549 498 L HA 0.008 4.348 4.340 -0.000 0.000 0.230 498 L C 2.676 179.550 176.870 0.008 0.000 1.162 498 L CA 0.638 55.488 54.840 0.018 0.000 0.834 498 L CB -0.406 41.663 42.059 0.016 0.000 0.947 498 L HN 0.118 nan 8.230 nan 0.000 0.452 499 R N 0.776 121.280 120.500 0.007 0.000 2.100 499 R HA -0.077 4.263 4.340 -0.000 0.000 0.220 499 R C 1.902 178.196 176.300 -0.010 0.000 1.091 499 R CA 1.177 57.269 56.100 -0.014 0.000 0.986 499 R CB -0.118 30.158 30.300 -0.040 0.000 0.888 499 R HN 0.301 nan 8.270 nan 0.000 0.444 500 E N 0.728 120.929 120.200 0.002 0.000 2.338 500 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 500 E C 1.845 178.446 176.600 0.001 0.000 1.007 500 E CA 0.908 57.309 56.400 0.002 0.000 0.849 500 E CB -0.206 29.501 29.700 0.012 0.000 0.774 500 E HN 0.398 nan 8.360 nan 0.000 0.506 501 L N 1.770 122.994 121.223 0.002 0.000 2.012 501 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 501 L C 1.938 178.806 176.870 -0.003 0.000 1.073 501 L CA 1.643 56.483 54.840 0.001 0.000 0.748 501 L CB -0.181 41.880 42.059 0.002 0.000 0.891 501 L HN -0.030 nan 8.230 nan 0.000 0.431 502 R N 0.459 120.955 120.500 -0.007 0.000 2.858 502 R HA 0.089 4.429 4.340 -0.000 0.000 0.228 502 R C 0.560 176.854 176.300 -0.009 0.000 1.471 502 R CA -0.007 56.088 56.100 -0.009 0.000 1.342 502 R CB -0.646 29.646 30.300 -0.013 0.000 1.152 502 R HN 0.497 nan 8.270 nan 0.000 0.521 503 R N 0.000 120.496 120.500 -0.007 0.000 2.786 503 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 503 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 503 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 503 R HN 0.000 nan 8.270 nan 0.000 0.535