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 2hld_1_X DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.708 174.700 0.013 0.000 1.109 7 T CA 0.000 62.105 62.100 0.009 0.000 1.349 7 T CB 0.000 68.874 68.868 0.010 0.000 0.612 8 P HA 0.642 nan 4.420 nan 0.000 0.286 8 P C -0.831 176.494 177.300 0.042 0.000 1.261 8 P CA -0.739 62.377 63.100 0.028 0.000 0.821 8 P CB 0.472 32.189 31.700 0.029 0.000 1.013 9 I N 1.934 122.535 120.570 0.052 0.000 2.452 9 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 9 I C 0.879 177.101 176.117 0.176 0.000 1.079 9 I CA 0.173 61.527 61.300 0.090 0.000 1.387 9 I CB 0.363 38.383 38.000 0.034 0.000 1.404 9 I HN 0.464 nan 8.210 nan 0.000 0.522 10 T N 2.149 116.823 114.554 0.199 0.000 2.916 10 T HA 0.868 5.218 4.350 -0.000 0.000 0.292 10 T C -0.184 174.516 174.700 0.001 0.000 1.055 10 T CA -0.845 61.337 62.100 0.137 0.000 1.009 10 T CB 2.087 70.975 68.868 0.034 0.000 1.118 10 T HN 0.706 nan 8.240 nan 0.000 0.497 11 G N 0.476 109.047 108.800 -0.382 0.000 2.798 11 G HA2 0.713 4.672 3.960 -0.000 0.000 0.286 11 G HA3 0.713 4.672 3.960 -0.000 0.000 0.286 11 G C -1.672 172.977 174.900 -0.418 0.000 1.389 11 G CA -1.174 43.428 45.100 -0.830 0.000 0.894 11 G HN 0.786 nan 8.290 nan 0.000 0.488 12 K N -0.279 119.919 120.400 -0.336 0.000 2.316 12 K HA 0.529 4.849 4.320 -0.000 0.000 0.251 12 K C -0.744 175.777 176.600 -0.132 0.000 0.934 12 K CA -0.757 55.433 56.287 -0.162 0.000 0.802 12 K CB 2.921 35.378 32.500 -0.072 0.000 1.171 12 K HN 0.206 nan 8.250 nan 0.000 0.426 13 V N 3.125 122.986 119.914 -0.089 0.000 2.450 13 V HA -0.054 4.066 4.120 -0.000 0.000 0.281 13 V C 1.314 177.386 176.094 -0.037 0.000 1.019 13 V CA 0.596 62.864 62.300 -0.055 0.000 1.062 13 V CB 0.417 32.218 31.823 -0.038 0.000 0.979 13 V HN 1.045 nan 8.190 nan 0.000 0.477 14 T N 1.509 116.047 114.554 -0.025 0.000 3.015 14 T HA 0.506 4.856 4.350 -0.000 0.000 0.250 14 T C 0.497 175.185 174.700 -0.020 0.000 1.057 14 T CA 0.501 62.585 62.100 -0.026 0.000 1.066 14 T CB 0.494 69.345 68.868 -0.028 0.000 0.959 14 T HN 0.947 nan 8.240 nan 0.000 0.488 15 A N 0.643 123.457 122.820 -0.010 0.000 2.513 15 A HA 0.656 4.976 4.320 -0.000 0.000 0.296 15 A C -1.421 176.162 177.584 -0.002 0.000 1.052 15 A CA -0.689 51.344 52.037 -0.006 0.000 0.714 15 A CB 1.754 20.753 19.000 -0.002 0.000 1.279 15 A HN 0.228 nan 8.150 nan 0.000 0.397 16 V N 3.079 122.991 119.914 -0.004 0.000 2.407 16 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 16 V C -0.732 175.360 176.094 -0.002 0.000 1.018 16 V CA -0.099 62.200 62.300 -0.002 0.000 0.842 16 V CB 1.186 33.007 31.823 -0.004 0.000 0.996 16 V HN 0.694 nan 8.190 nan 0.000 0.426 17 I N 4.677 125.247 120.570 -0.000 0.000 2.521 17 I HA 0.650 4.820 4.170 -0.000 0.000 0.277 17 I C 1.003 177.119 176.117 -0.002 0.000 1.054 17 I CA 0.059 61.358 61.300 -0.002 0.000 1.117 17 I CB 1.251 39.250 38.000 -0.002 0.000 1.217 17 I HN 0.816 nan 8.210 nan 0.000 0.469 18 G N 4.590 113.388 108.800 -0.003 0.000 2.602 18 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.310 18 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.310 18 G C 0.939 175.838 174.900 -0.002 0.000 1.183 18 G CA 0.612 45.709 45.100 -0.004 0.000 0.979 18 G HN 0.806 nan 8.290 nan 0.000 0.545 19 A N -0.461 122.357 122.820 -0.003 0.000 2.218 19 A HA 0.542 4.862 4.320 -0.000 0.000 0.209 19 A C 0.988 178.575 177.584 0.004 0.000 1.168 19 A CA 1.025 53.062 52.037 -0.000 0.000 0.804 19 A CB -0.021 18.976 19.000 -0.005 0.000 0.834 19 A HN 0.619 nan 8.150 nan 0.000 0.482 20 I N 1.323 121.896 120.570 0.004 0.000 2.315 20 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 20 I C -0.552 175.572 176.117 0.012 0.000 1.006 20 I CA -0.716 60.590 61.300 0.010 0.000 1.265 20 I CB 0.963 38.968 38.000 0.008 0.000 1.387 20 I HN -0.136 nan 8.210 nan 0.000 0.475 21 V N 5.871 125.796 119.914 0.019 0.000 2.448 21 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 21 V C -0.437 175.675 176.094 0.030 0.000 1.025 21 V CA -0.826 61.485 62.300 0.019 0.000 0.859 21 V CB 2.167 34.000 31.823 0.017 0.000 0.988 21 V HN 0.546 nan 8.190 nan 0.000 0.431 22 D N 3.108 123.522 120.400 0.025 0.000 2.198 22 D HA 0.610 5.250 4.640 -0.000 0.000 0.245 22 D C -0.555 175.760 176.300 0.026 0.000 1.079 22 D CA -0.012 54.010 54.000 0.038 0.000 0.854 22 D CB 2.131 42.951 40.800 0.032 0.000 1.148 22 D HN 0.274 nan 8.370 nan 0.000 0.456 23 V N 2.088 122.029 119.914 0.045 0.000 2.588 23 V HA 0.254 4.374 4.120 -0.000 0.000 0.304 23 V C -0.598 175.492 176.094 -0.007 0.000 1.042 23 V CA -0.872 61.410 62.300 -0.030 0.000 0.877 23 V CB 1.911 33.694 31.823 -0.066 0.000 0.996 23 V HN 0.541 nan 8.190 nan 0.000 0.425 24 H N 3.589 122.531 119.070 -0.212 0.000 2.458 24 H HA 0.701 5.257 4.556 -0.000 0.000 0.330 24 H C -1.587 173.535 175.328 -0.343 0.000 1.111 24 H CA -0.637 55.323 56.048 -0.145 0.000 1.245 24 H CB 1.171 30.878 29.762 -0.091 0.000 1.456 24 H HN 0.451 nan 8.280 nan 0.000 0.488 25 F N 3.159 122.729 119.950 -0.633 0.000 2.482 25 F HA 0.217 4.744 4.527 -0.000 0.000 0.331 25 F C 1.252 176.724 175.800 -0.548 0.000 1.115 25 F CA -0.676 57.062 58.000 -0.438 0.000 0.955 25 F CB 1.930 40.780 39.000 -0.251 0.000 1.136 25 F HN 0.615 nan 8.300 nan 0.000 0.452 26 E N 1.481 121.601 120.200 -0.132 0.000 2.047 26 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 26 E C 0.634 177.218 176.600 -0.026 0.000 0.987 26 E CA 1.097 57.458 56.400 -0.066 0.000 0.799 26 E CB -0.088 29.612 29.700 0.000 0.000 0.752 26 E HN 0.802 nan 8.360 nan 0.000 0.449 27 Q N -0.978 118.820 119.800 -0.005 0.000 2.633 27 Q HA 0.417 4.757 4.340 -0.000 0.000 0.208 27 Q C 1.303 177.287 176.000 -0.027 0.000 1.010 27 Q CA -0.373 55.425 55.803 -0.007 0.000 0.982 27 Q CB 0.552 29.291 28.738 0.000 0.000 1.334 27 Q HN -0.196 nan 8.270 nan 0.000 0.508 28 S N -0.607 115.076 115.700 -0.029 0.000 2.383 28 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 28 S C -0.114 174.442 174.600 -0.074 0.000 1.030 28 S CA 1.333 59.508 58.200 -0.042 0.000 1.002 28 S CB -0.275 62.907 63.200 -0.030 0.000 0.829 28 S HN 0.507 nan 8.310 nan 0.000 0.467 29 E N 0.816 120.967 120.200 -0.083 0.000 2.180 29 E HA 0.416 4.766 4.350 -0.000 0.000 0.283 29 E C -1.221 175.231 176.600 -0.246 0.000 1.061 29 E CA 0.007 56.331 56.400 -0.127 0.000 0.861 29 E CB 0.921 30.562 29.700 -0.098 0.000 1.056 29 E HN 0.147 nan 8.360 nan 0.000 0.407 30 L N 5.616 126.668 121.223 -0.284 0.000 2.334 30 L HA 0.450 4.790 4.340 -0.000 0.000 0.276 30 L C -2.128 174.530 176.870 -0.353 0.000 1.014 30 L CA -2.098 52.461 54.840 -0.469 0.000 0.815 30 L CB 1.267 43.038 42.059 -0.481 0.000 1.268 30 L HN 0.449 nan 8.230 nan 0.000 0.428 31 P HA 0.198 nan 4.420 nan 0.000 0.271 31 P C -0.660 176.644 177.300 0.006 0.000 1.220 31 P CA -0.405 62.561 63.100 -0.223 0.000 0.768 31 P CB 0.833 32.378 31.700 -0.258 0.000 0.848 32 A N 4.496 127.310 122.820 -0.010 0.000 2.492 32 A HA 0.108 4.428 4.320 -0.000 0.000 0.236 32 A C 0.698 178.242 177.584 -0.066 0.000 1.078 32 A CA -0.322 51.700 52.037 -0.024 0.000 0.773 32 A CB -0.455 18.515 19.000 -0.051 0.000 1.023 32 A HN 0.579 nan 8.150 nan 0.000 0.504 33 I N 1.041 121.504 120.570 -0.178 0.000 2.683 33 I HA 0.020 4.190 4.170 -0.000 0.000 0.286 33 I C 0.714 176.741 176.117 -0.150 0.000 1.175 33 I CA 0.792 61.985 61.300 -0.178 0.000 1.429 33 I CB 0.043 37.903 38.000 -0.235 0.000 1.371 33 I HN 0.737 nan 8.210 nan 0.000 0.569 34 L N 2.245 123.382 121.223 -0.142 0.000 2.804 34 L HA -0.218 4.122 4.340 -0.000 0.000 0.451 34 L C 0.227 177.054 176.870 -0.072 0.000 0.725 34 L CA 0.019 54.742 54.840 -0.196 0.000 2.793 34 L CB -1.358 40.477 42.059 -0.373 0.000 0.947 34 L HN 0.645 nan 8.230 nan 0.000 0.660 35 N N 1.651 120.328 118.700 -0.039 0.000 2.407 35 N HA 0.419 5.159 4.740 -0.000 0.000 0.250 35 N C 0.311 175.837 175.510 0.026 0.000 1.236 35 N CA 1.022 54.071 53.050 -0.003 0.000 0.879 35 N CB 0.732 39.212 38.487 -0.011 0.000 1.088 35 N HN 0.335 nan 8.380 nan 0.000 0.450 36 A N 2.603 125.445 122.820 0.037 0.000 2.363 36 A HA 0.555 4.875 4.320 -0.000 0.000 0.270 36 A C -0.162 177.454 177.584 0.053 0.000 1.121 36 A CA -0.412 51.653 52.037 0.047 0.000 0.800 36 A CB 0.128 19.154 19.000 0.043 0.000 1.052 36 A HN 0.621 nan 8.150 nan 0.000 0.493 37 L N 1.280 122.542 121.223 0.065 0.000 2.303 37 L HA 0.663 5.003 4.340 -0.000 0.000 0.266 37 L C -0.060 176.845 176.870 0.060 0.000 1.011 37 L CA -0.599 54.290 54.840 0.082 0.000 0.818 37 L CB 1.959 44.091 42.059 0.122 0.000 1.326 37 L HN 0.749 nan 8.230 nan 0.000 0.435 38 E N 1.462 121.695 120.200 0.056 0.000 2.292 38 E HA 0.602 4.952 4.350 -0.000 0.000 0.272 38 E C -1.460 175.156 176.600 0.027 0.000 0.881 38 E CA -0.544 55.878 56.400 0.036 0.000 0.754 38 E CB 3.298 33.016 29.700 0.030 0.000 1.201 38 E HN 0.375 nan 8.360 nan 0.000 0.425 39 I N 2.227 122.807 120.570 0.017 0.000 2.465 39 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 39 I C -0.440 175.681 176.117 0.006 0.000 1.014 39 I CA -0.854 60.450 61.300 0.007 0.000 1.093 39 I CB 1.776 39.778 38.000 0.002 0.000 1.267 39 I HN 0.200 nan 8.210 nan 0.000 0.431 40 K N 4.601 125.003 120.400 0.003 0.000 2.316 40 K HA 0.282 4.602 4.320 -0.000 0.000 0.289 40 K C -0.139 176.461 176.600 0.000 0.000 1.070 40 K CA -0.228 56.060 56.287 0.003 0.000 0.928 40 K CB 0.736 33.237 32.500 0.002 0.000 1.039 40 K HN 0.638 nan 8.250 nan 0.000 0.480 41 T N -0.033 114.522 114.554 0.001 0.000 2.943 41 T HA 0.300 4.650 4.350 -0.000 0.000 0.284 41 T C -1.474 173.226 174.700 0.000 0.000 1.015 41 T CA -1.899 60.201 62.100 0.000 0.000 1.042 41 T CB 1.414 70.282 68.868 0.001 0.000 1.055 41 T HN 0.286 nan 8.240 nan 0.000 0.500 42 P HA -0.117 nan 4.420 nan 0.000 0.220 42 P C 1.312 178.612 177.300 -0.000 0.000 1.148 42 P CA 0.929 64.028 63.100 -0.001 0.000 0.803 42 P CB 0.269 31.968 31.700 -0.001 0.000 0.782 43 Q N -0.045 119.755 119.800 0.000 0.000 1.942 43 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 43 Q C 1.782 177.783 176.000 0.001 0.000 0.987 43 Q CA 2.364 58.168 55.803 0.000 0.000 0.844 43 Q CB -0.974 27.764 28.738 0.001 0.000 0.911 43 Q HN 0.334 nan 8.270 nan 0.000 0.423 44 G N -1.382 107.419 108.800 0.002 0.000 3.450 44 G HA2 0.262 4.222 3.960 -0.000 0.000 0.147 44 G HA3 0.262 4.222 3.960 -0.000 0.000 0.147 44 G C -1.213 173.689 174.900 0.004 0.000 1.269 44 G CA 0.050 45.151 45.100 0.002 0.000 1.388 44 G HN 0.228 nan 8.290 nan 0.000 0.731 45 K N -0.423 119.980 120.400 0.005 0.000 2.498 45 K HA 0.754 5.074 4.320 -0.000 0.000 0.254 45 K C -1.973 174.633 176.600 0.009 0.000 0.933 45 K CA -0.859 55.432 56.287 0.007 0.000 0.806 45 K CB 2.798 35.303 32.500 0.008 0.000 1.301 45 K HN 0.509 nan 8.250 nan 0.000 0.432 46 L N 2.714 123.944 121.223 0.010 0.000 2.287 46 L HA 0.414 4.754 4.340 -0.000 0.000 0.287 46 L C -1.359 175.522 176.870 0.018 0.000 1.022 46 L CA -0.475 54.372 54.840 0.013 0.000 0.814 46 L CB 1.799 43.864 42.059 0.010 0.000 1.217 46 L HN 0.578 nan 8.230 nan 0.000 0.420 47 V N 6.625 126.551 119.914 0.021 0.000 2.439 47 V HA 0.427 4.547 4.120 -0.000 0.000 0.282 47 V C 0.182 176.296 176.094 0.033 0.000 1.039 47 V CA -0.403 61.914 62.300 0.028 0.000 0.913 47 V CB 1.268 33.108 31.823 0.027 0.000 0.983 47 V HN 0.648 nan 8.190 nan 0.000 0.460 48 L N 4.119 125.367 121.223 0.041 0.000 2.342 48 L HA 0.660 5.000 4.340 -0.000 0.000 0.271 48 L C -0.092 176.811 176.870 0.055 0.000 1.008 48 L CA -0.457 54.412 54.840 0.047 0.000 0.818 48 L CB 1.990 44.080 42.059 0.052 0.000 1.296 48 L HN 0.627 nan 8.230 nan 0.000 0.427 49 E N 1.559 121.791 120.200 0.055 0.000 2.155 49 E HA 0.344 4.694 4.350 -0.000 0.000 0.264 49 E C -1.258 175.369 176.600 0.045 0.000 0.886 49 E CA -0.770 55.663 56.400 0.054 0.000 0.752 49 E CB 1.982 31.724 29.700 0.070 0.000 1.133 49 E HN 0.336 nan 8.360 nan 0.000 0.414 50 V N 4.150 124.090 119.914 0.042 0.000 2.557 50 V HA 0.029 4.149 4.120 -0.000 0.000 0.301 50 V C 0.940 177.034 176.094 0.001 0.000 1.026 50 V CA 1.194 63.521 62.300 0.045 0.000 1.137 50 V CB 0.702 32.557 31.823 0.054 0.000 0.917 50 V HN 0.883 nan 8.190 nan 0.000 0.484 51 A N 4.459 127.287 122.820 0.013 0.000 2.026 51 A HA 0.323 4.643 4.320 -0.000 0.000 0.201 51 A C 0.639 178.206 177.584 -0.028 0.000 1.318 51 A CA 0.168 52.196 52.037 -0.015 0.000 0.857 51 A CB 0.397 19.398 19.000 0.003 0.000 0.939 51 A HN 0.803 nan 8.150 nan 0.000 0.476 52 Q N -1.114 118.693 119.800 0.012 0.000 2.462 52 Q HA 0.416 4.756 4.340 -0.000 0.000 0.285 52 Q C -1.685 174.401 176.000 0.143 0.000 1.035 52 Q CA -0.662 55.150 55.803 0.015 0.000 0.799 52 Q CB 1.384 30.140 28.738 0.030 0.000 1.452 52 Q HN 0.553 nan 8.270 nan 0.000 0.404 53 H N 1.355 120.429 119.070 0.006 0.000 2.690 53 H HA 0.231 4.787 4.556 -0.000 0.000 0.289 53 H C 0.576 175.917 175.328 0.022 0.000 1.089 53 H CA -0.353 55.704 56.048 0.015 0.000 1.299 53 H CB 0.929 30.692 29.762 0.001 0.000 1.405 53 H HN 0.440 nan 8.280 nan 0.000 0.463 54 L N 2.908 124.216 121.223 0.141 0.000 2.376 54 L HA 0.098 4.438 4.340 -0.000 0.000 0.219 54 L C 1.207 178.119 176.870 0.069 0.000 1.133 54 L CA 0.656 55.548 54.840 0.087 0.000 0.816 54 L CB -0.136 41.967 42.059 0.073 0.000 0.933 54 L HN 0.876 nan 8.230 nan 0.000 0.449 55 G N 0.021 108.860 108.800 0.066 0.000 2.619 55 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 55 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 55 G C -0.068 174.862 174.900 0.050 0.000 1.256 55 G CA -0.450 44.678 45.100 0.046 0.000 0.826 55 G HN 0.312 nan 8.290 nan 0.000 0.619 56 E N 0.002 120.231 120.200 0.047 0.000 2.389 56 E HA -0.247 4.103 4.350 -0.000 0.000 0.243 56 E C 0.775 177.459 176.600 0.140 0.000 1.154 56 E CA 0.608 57.053 56.400 0.075 0.000 0.723 56 E CB -1.058 28.677 29.700 0.060 0.000 1.261 56 E HN 1.165 nan 8.360 nan 0.000 0.390 57 N N -1.392 117.351 118.700 0.071 0.000 2.714 57 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 57 N C -0.736 174.833 175.510 0.099 0.000 1.117 57 N CA 2.008 55.074 53.050 0.026 0.000 0.719 57 N CB -1.157 37.313 38.487 -0.029 0.000 1.081 57 N HN 0.348 nan 8.380 nan 0.000 0.557 58 T N -0.339 114.295 114.554 0.133 0.000 2.855 58 T HA 0.669 5.018 4.350 -0.000 0.000 0.281 58 T C 0.520 175.290 174.700 0.116 0.000 1.007 58 T CA -0.665 61.535 62.100 0.168 0.000 1.009 58 T CB 2.578 71.543 68.868 0.160 0.000 0.983 58 T HN 0.126 nan 8.240 nan 0.000 0.455 59 V N 1.018 121.033 119.914 0.168 0.000 2.815 59 V HA 0.782 4.902 4.120 -0.000 0.000 0.314 59 V C -0.419 175.765 176.094 0.149 0.000 1.064 59 V CA -1.410 61.002 62.300 0.187 0.000 0.952 59 V CB 1.804 33.774 31.823 0.245 0.000 1.020 59 V HN 0.849 nan 8.190 nan 0.000 0.439 60 R N 1.939 122.517 120.500 0.129 0.000 2.338 60 R HA 0.729 5.069 4.340 -0.000 0.000 0.317 60 R C -0.211 176.135 176.300 0.077 0.000 0.968 60 R CA 0.200 56.352 56.100 0.085 0.000 0.849 60 R CB 1.600 31.938 30.300 0.062 0.000 1.128 60 R HN 1.152 nan 8.270 nan 0.000 0.448 61 T N 1.298 115.891 114.554 0.065 0.000 2.932 61 T HA 0.549 4.898 4.350 -0.000 0.000 0.289 61 T C 0.061 174.783 174.700 0.038 0.000 1.039 61 T CA -0.852 61.282 62.100 0.057 0.000 1.024 61 T CB 1.274 70.184 68.868 0.069 0.000 1.090 61 T HN 0.428 nan 8.240 nan 0.000 0.496 62 I N 1.737 122.328 120.570 0.035 0.000 2.362 62 I HA 0.559 4.729 4.170 -0.000 0.000 0.289 62 I C 0.717 176.852 176.117 0.030 0.000 0.994 62 I CA -1.129 60.187 61.300 0.026 0.000 1.158 62 I CB 1.442 39.456 38.000 0.023 0.000 1.315 62 I HN 0.946 nan 8.210 nan 0.000 0.451 63 A N 7.076 129.909 122.820 0.022 0.000 2.407 63 A HA 0.430 4.750 4.320 -0.000 0.000 0.248 63 A C 0.692 178.289 177.584 0.021 0.000 1.082 63 A CA -0.140 51.910 52.037 0.022 0.000 0.785 63 A CB 0.426 19.435 19.000 0.015 0.000 1.020 63 A HN 0.759 nan 8.150 nan 0.000 0.489 64 M N 0.720 120.334 119.600 0.023 0.000 2.356 64 M HA 0.243 4.723 4.480 -0.000 0.000 0.262 64 M C -0.318 175.993 176.300 0.018 0.000 1.097 64 M CA 0.346 55.659 55.300 0.023 0.000 0.991 64 M CB -0.760 31.856 32.600 0.026 0.000 1.450 64 M HN 0.801 nan 8.290 nan 0.000 0.495 65 D N -1.103 119.306 120.400 0.014 0.000 2.639 65 D HA 0.446 5.086 4.640 -0.000 0.000 0.271 65 D C -0.471 175.834 176.300 0.008 0.000 1.254 65 D CA -0.145 53.862 54.000 0.011 0.000 0.810 65 D CB 1.447 42.253 40.800 0.011 0.000 1.351 65 D HN 0.131 nan 8.370 nan 0.000 0.427 66 G N -0.603 108.200 108.800 0.006 0.000 2.474 66 G HA2 0.299 4.259 3.960 -0.000 0.000 0.233 66 G HA3 0.299 4.259 3.960 -0.000 0.000 0.233 66 G C 0.798 175.700 174.900 0.003 0.000 1.278 66 G CA 0.615 45.717 45.100 0.003 0.000 0.861 66 G HN 0.422 nan 8.290 nan 0.000 0.567 67 T N -0.862 113.693 114.554 0.002 0.000 3.223 67 T HA 0.243 4.593 4.350 -0.000 0.000 0.259 67 T C 0.315 175.014 174.700 -0.001 0.000 1.015 67 T CA -0.366 61.734 62.100 0.001 0.000 0.908 67 T CB 0.059 68.928 68.868 0.001 0.000 1.054 67 T HN 0.491 nan 8.240 nan 0.000 0.567 68 E N 1.395 121.595 120.200 -0.001 0.000 2.452 68 E HA 0.424 4.774 4.350 -0.000 0.000 0.261 68 E C 1.491 178.089 176.600 -0.002 0.000 0.987 68 E CA 1.161 57.560 56.400 -0.002 0.000 0.926 68 E CB -0.219 29.481 29.700 -0.001 0.000 0.934 68 E HN 0.391 nan 8.360 nan 0.000 0.452 69 G N 2.250 111.049 108.800 -0.003 0.000 2.241 69 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.244 69 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.244 69 G C 0.206 175.103 174.900 -0.005 0.000 0.998 69 G CA -0.153 44.944 45.100 -0.004 0.000 0.621 69 G HN 0.422 nan 8.290 nan 0.000 0.519 70 L N 1.286 122.506 121.223 -0.005 0.000 2.540 70 L HA 0.381 4.721 4.340 -0.000 0.000 0.276 70 L C 0.578 177.443 176.870 -0.009 0.000 1.212 70 L CA 0.073 54.909 54.840 -0.007 0.000 0.893 70 L CB 0.949 43.005 42.059 -0.006 0.000 1.138 70 L HN 0.051 nan 8.230 nan 0.000 0.491 71 V N 4.294 124.201 119.914 -0.011 0.000 2.628 71 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 71 V C 0.197 176.280 176.094 -0.017 0.000 1.045 71 V CA -0.957 61.335 62.300 -0.013 0.000 0.905 71 V CB 1.950 33.766 31.823 -0.013 0.000 0.997 71 V HN 0.677 nan 8.190 nan 0.000 0.436 72 R N 2.264 122.753 120.500 -0.018 0.000 2.522 72 R HA 0.407 4.747 4.340 -0.000 0.000 0.284 72 R C 1.245 177.530 176.300 -0.026 0.000 1.032 72 R CA 1.063 57.149 56.100 -0.023 0.000 1.049 72 R CB 0.106 30.393 30.300 -0.023 0.000 0.956 72 R HN 1.204 nan 8.270 nan 0.000 0.422 73 G N 1.720 110.501 108.800 -0.032 0.000 2.179 73 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 73 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 73 G C 0.072 174.950 174.900 -0.036 0.000 0.990 73 G CA -0.200 44.880 45.100 -0.033 0.000 0.646 73 G HN 0.603 nan 8.290 nan 0.000 0.517 74 E N 0.867 121.046 120.200 -0.036 0.000 2.373 74 E HA 0.377 4.727 4.350 -0.000 0.000 0.267 74 E C 0.594 177.164 176.600 -0.049 0.000 1.032 74 E CA -0.428 55.952 56.400 -0.034 0.000 0.889 74 E CB 0.385 30.069 29.700 -0.026 0.000 0.984 74 E HN 0.290 nan 8.360 nan 0.000 0.425 75 K N 2.707 123.082 120.400 -0.042 0.000 2.368 75 K HA 0.136 4.456 4.320 -0.000 0.000 0.282 75 K C -1.240 175.332 176.600 -0.046 0.000 1.035 75 K CA -0.304 55.953 56.287 -0.050 0.000 0.973 75 K CB 0.559 33.041 32.500 -0.030 0.000 0.957 75 K HN 0.211 nan 8.250 nan 0.000 0.474 76 V N 5.805 125.676 119.914 -0.072 0.000 2.540 76 V HA 0.339 4.459 4.120 -0.000 0.000 0.302 76 V C -0.687 175.419 176.094 0.020 0.000 1.035 76 V CA -1.079 61.198 62.300 -0.039 0.000 0.873 76 V CB 1.438 33.215 31.823 -0.077 0.000 0.992 76 V HN 0.662 nan 8.190 nan 0.000 0.428 77 L N 3.406 124.664 121.223 0.058 0.000 2.282 77 L HA 0.600 4.940 4.340 -0.000 0.000 0.288 77 L C -0.186 176.754 176.870 0.117 0.000 1.033 77 L CA 0.020 54.911 54.840 0.085 0.000 0.807 77 L CB 1.394 43.483 42.059 0.050 0.000 1.209 77 L HN 0.729 nan 8.230 nan 0.000 0.423 78 D N 1.696 122.183 120.400 0.146 0.000 2.351 78 D HA 0.108 4.748 4.640 -0.000 0.000 0.251 78 D C 1.035 177.364 176.300 0.049 0.000 1.137 78 D CA 0.471 54.529 54.000 0.095 0.000 0.879 78 D CB 1.480 42.309 40.800 0.047 0.000 1.181 78 D HN 0.697 nan 8.370 nan 0.000 0.448 79 T N 0.538 115.113 114.554 0.035 0.000 3.065 79 T HA 0.286 4.636 4.350 -0.000 0.000 0.252 79 T C 1.482 176.188 174.700 0.009 0.000 1.099 79 T CA 0.614 62.727 62.100 0.022 0.000 1.063 79 T CB 0.105 68.986 68.868 0.022 0.000 0.948 79 T HN 0.635 nan 8.240 nan 0.000 0.506 80 G N 0.035 108.836 108.800 0.001 0.000 2.213 80 G HA2 0.116 4.076 3.960 -0.000 0.000 0.236 80 G HA3 0.116 4.076 3.960 -0.000 0.000 0.236 80 G C 0.407 175.301 174.900 -0.010 0.000 0.991 80 G CA -0.320 44.773 45.100 -0.011 0.000 0.629 80 G HN 1.299 nan 8.290 nan 0.000 0.517 81 G N -0.866 107.933 108.800 -0.001 0.000 2.645 81 G HA2 0.753 4.713 3.960 -0.000 0.000 0.292 81 G HA3 0.753 4.713 3.960 -0.000 0.000 0.292 81 G C -3.145 171.765 174.900 0.016 0.000 1.415 81 G CA -0.358 44.743 45.100 0.003 0.000 0.785 81 G HN 0.190 nan 8.290 nan 0.000 0.483 82 P HA 0.203 nan 4.420 nan 0.000 0.271 82 P C 0.200 177.538 177.300 0.064 0.000 1.238 82 P CA -0.284 62.857 63.100 0.069 0.000 0.794 82 P CB 0.538 32.309 31.700 0.118 0.000 0.959 83 I N 0.354 120.976 120.570 0.086 0.000 2.741 83 I HA -0.049 4.121 4.170 -0.000 0.000 0.288 83 I C 0.743 176.870 176.117 0.017 0.000 1.192 83 I CA 1.167 62.495 61.300 0.046 0.000 1.426 83 I CB -0.134 37.893 38.000 0.046 0.000 1.367 83 I HN 0.211 nan 8.210 nan 0.000 0.563 84 S N 5.372 121.071 115.700 -0.001 0.000 2.537 84 S HA 0.708 5.178 4.470 -0.000 0.000 0.301 84 S C -0.525 174.052 174.600 -0.038 0.000 1.092 84 S CA -0.725 57.462 58.200 -0.021 0.000 1.048 84 S CB 2.077 65.265 63.200 -0.020 0.000 1.053 84 S HN 0.460 nan 8.310 nan 0.000 0.501 85 V N 0.356 120.234 119.914 -0.060 0.000 2.823 85 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 85 V C -3.106 172.923 176.094 -0.109 0.000 1.072 85 V CA -3.116 59.138 62.300 -0.075 0.000 0.937 85 V CB 1.207 32.983 31.823 -0.079 0.000 1.013 85 V HN 0.541 nan 8.190 nan 0.000 0.430 86 P HA 0.377 nan 4.420 nan 0.000 0.268 86 P C -0.467 176.693 177.300 -0.233 0.000 1.205 86 P CA 0.098 63.106 63.100 -0.154 0.000 0.771 86 P CB 0.980 32.613 31.700 -0.113 0.000 0.858 87 V N -0.558 119.134 119.914 -0.369 0.000 3.102 87 V HA 0.996 5.116 4.120 -0.000 0.000 0.312 87 V C 0.196 175.816 176.094 -0.791 0.000 1.135 87 V CA -0.101 61.827 62.300 -0.621 0.000 1.022 87 V CB 1.245 32.579 31.823 -0.815 0.000 1.056 87 V HN 0.959 nan 8.190 nan 0.000 0.436 88 G N 2.216 110.437 108.800 -0.965 0.000 2.500 88 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.209 88 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.209 88 G C 0.109 174.854 174.900 -0.257 0.000 1.283 88 G CA 0.180 44.899 45.100 -0.635 0.000 0.960 88 G HN 0.955 nan 8.290 nan 0.000 0.528 89 R N 0.362 120.836 120.500 -0.044 0.000 2.236 89 R HA 0.054 4.394 4.340 -0.000 0.000 0.208 89 R C 1.979 178.292 176.300 0.022 0.000 1.036 89 R CA 1.165 57.292 56.100 0.044 0.000 1.001 89 R CB -0.088 30.239 30.300 0.044 0.000 0.896 89 R HN 0.499 nan 8.270 nan 0.000 0.464 90 E N 0.076 120.261 120.200 -0.024 0.000 2.409 90 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 90 E C 1.651 178.249 176.600 -0.004 0.000 1.024 90 E CA 1.466 57.856 56.400 -0.017 0.000 0.861 90 E CB -0.048 29.625 29.700 -0.045 0.000 0.788 90 E HN 0.429 nan 8.360 nan 0.000 0.521 91 T N -1.949 112.606 114.554 0.002 0.000 3.100 91 T HA 0.124 4.473 4.350 -0.000 0.000 0.253 91 T C 1.082 175.829 174.700 0.078 0.000 1.118 91 T CA -0.162 61.953 62.100 0.026 0.000 1.058 91 T CB -0.106 68.764 68.868 0.003 0.000 0.953 91 T HN -0.061 nan 8.240 nan 0.000 0.515 92 L N 2.006 123.282 121.223 0.089 0.000 2.410 92 L HA 0.500 4.840 4.340 -0.000 0.000 0.273 92 L C 1.508 178.438 176.870 0.099 0.000 1.144 92 L CA 0.667 55.566 54.840 0.097 0.000 0.863 92 L CB 0.296 42.401 42.059 0.076 0.000 1.140 92 L HN 0.512 nan 8.230 nan 0.000 0.463 93 G N 2.017 110.889 108.800 0.120 0.000 2.141 93 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.242 93 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.242 93 G C 0.133 175.126 174.900 0.155 0.000 0.982 93 G CA -0.503 44.682 45.100 0.143 0.000 0.662 93 G HN 0.453 nan 8.290 nan 0.000 0.527 94 R N -0.420 120.149 120.500 0.114 0.000 2.778 94 R HA 0.719 5.058 4.340 -0.000 0.000 0.277 94 R C 0.172 176.502 176.300 0.051 0.000 0.977 94 R CA -1.008 55.135 56.100 0.071 0.000 0.950 94 R CB 1.220 31.547 30.300 0.046 0.000 1.165 94 R HN 0.265 nan 8.270 nan 0.000 0.474 95 I N 3.060 123.624 120.570 -0.010 0.000 2.359 95 I HA 0.438 4.607 4.170 -0.000 0.000 0.294 95 I C 0.111 176.249 176.117 0.034 0.000 0.987 95 I CA -0.500 60.812 61.300 0.021 0.000 1.225 95 I CB 1.025 38.970 38.000 -0.092 0.000 1.366 95 I HN 0.293 nan 8.210 nan 0.000 0.466 96 I N 5.117 125.729 120.570 0.069 0.000 2.730 96 I HA 0.334 4.504 4.170 -0.000 0.000 0.298 96 I C -0.073 176.076 176.117 0.054 0.000 1.089 96 I CA -0.777 60.545 61.300 0.037 0.000 1.041 96 I CB 1.875 39.882 38.000 0.011 0.000 1.235 96 I HN 0.491 nan 8.210 nan 0.000 0.423 97 N N 1.928 120.648 118.700 0.032 0.000 2.399 97 N HA 0.086 4.826 4.740 -0.000 0.000 0.250 97 N C 0.994 176.515 175.510 0.018 0.000 1.272 97 N CA -0.105 52.966 53.050 0.034 0.000 0.928 97 N CB 1.434 39.932 38.487 0.019 0.000 1.158 97 N HN 0.533 nan 8.380 nan 0.000 0.463 98 V N 2.094 122.022 119.914 0.023 0.000 2.324 98 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 98 V C 1.619 177.710 176.094 -0.004 0.000 1.060 98 V CA 1.968 64.272 62.300 0.006 0.000 1.042 98 V CB -0.457 31.376 31.823 0.018 0.000 0.650 98 V HN 0.678 nan 8.190 nan 0.000 0.450 99 I N -1.852 118.720 120.570 0.003 0.000 3.812 99 I HA 0.497 4.667 4.170 -0.000 0.000 0.320 99 I C 1.318 177.429 176.117 -0.009 0.000 1.276 99 I CA 0.618 61.917 61.300 -0.001 0.000 1.164 99 I CB -0.468 37.537 38.000 0.008 0.000 1.009 99 I HN 0.372 nan 8.210 nan 0.000 0.431 100 G N 1.202 109.993 108.800 -0.014 0.000 2.137 100 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.237 100 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.237 100 G C -0.217 174.673 174.900 -0.018 0.000 1.002 100 G CA -0.048 45.038 45.100 -0.023 0.000 0.702 100 G HN 0.641 nan 8.290 nan 0.000 0.515 101 E N 0.591 120.786 120.200 -0.008 0.000 2.222 101 E HA 0.475 4.825 4.350 -0.000 0.000 0.272 101 E C -2.503 174.096 176.600 -0.003 0.000 0.982 101 E CA -2.190 54.206 56.400 -0.006 0.000 0.842 101 E CB 1.668 31.367 29.700 -0.002 0.000 1.144 101 E HN 0.128 nan 8.360 nan 0.000 0.397 102 P HA 0.097 nan 4.420 nan 0.000 0.276 102 P C -0.225 177.070 177.300 -0.009 0.000 1.230 102 P CA 0.135 63.231 63.100 -0.006 0.000 0.776 102 P CB 0.213 31.909 31.700 -0.006 0.000 0.888 103 I N -0.722 119.838 120.570 -0.017 0.000 3.326 103 I HA 0.361 4.531 4.170 -0.000 0.000 0.336 103 I C -0.262 175.813 176.117 -0.070 0.000 1.543 103 I CA -0.315 60.967 61.300 -0.031 0.000 1.013 103 I CB 0.236 38.226 38.000 -0.017 0.000 1.468 103 I HN 0.030 nan 8.210 nan 0.000 0.515 104 D N -0.185 120.175 120.400 -0.067 0.000 2.513 104 D HA 0.055 4.695 4.640 -0.000 0.000 0.222 104 D C 0.344 176.633 176.300 -0.019 0.000 1.210 104 D CA -0.302 53.646 54.000 -0.087 0.000 0.825 104 D CB -0.082 40.634 40.800 -0.140 0.000 1.037 104 D HN 0.419 nan 8.370 nan 0.000 0.506 105 E N 0.184 120.377 120.200 -0.012 0.000 2.440 105 E HA -0.266 4.084 4.350 -0.000 0.000 0.246 105 E C 0.424 177.033 176.600 0.014 0.000 1.165 105 E CA 0.286 56.688 56.400 0.003 0.000 0.726 105 E CB -1.015 28.688 29.700 0.006 0.000 1.271 105 E HN 0.396 nan 8.360 nan 0.000 0.397 106 R N -0.278 120.232 120.500 0.016 0.000 2.468 106 R HA 0.247 4.587 4.340 -0.000 0.000 0.280 106 R C 0.885 177.195 176.300 0.018 0.000 0.963 106 R CA 0.402 56.517 56.100 0.026 0.000 1.083 106 R CB 1.075 31.400 30.300 0.041 0.000 1.200 106 R HN 0.341 nan 8.270 nan 0.000 0.541 107 G N 1.725 110.531 108.800 0.010 0.000 2.582 107 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.222 107 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.222 107 G C -2.753 172.149 174.900 0.003 0.000 1.311 107 G CA -1.218 43.886 45.100 0.006 0.000 0.915 107 G HN 0.027 nan 8.290 nan 0.000 0.528 108 P HA 0.529 nan 4.420 nan 0.000 0.279 108 P C -0.008 177.288 177.300 -0.007 0.000 1.239 108 P CA -0.426 62.671 63.100 -0.005 0.000 0.789 108 P CB 0.551 32.248 31.700 -0.006 0.000 0.933 109 I N 2.889 123.451 120.570 -0.013 0.000 2.311 109 I HA 0.091 4.261 4.170 -0.000 0.000 0.297 109 I C 0.874 176.974 176.117 -0.029 0.000 1.131 109 I CA 0.095 61.384 61.300 -0.019 0.000 1.289 109 I CB -0.198 37.786 38.000 -0.026 0.000 1.446 109 I HN 0.093 nan 8.210 nan 0.000 0.524 110 K N 5.422 125.808 120.400 -0.024 0.000 2.502 110 K HA 0.131 4.451 4.320 -0.000 0.000 0.244 110 K C 0.387 176.963 176.600 -0.040 0.000 1.249 110 K CA -0.263 56.007 56.287 -0.027 0.000 1.193 110 K CB 0.004 32.495 32.500 -0.015 0.000 1.674 110 K HN 0.680 nan 8.250 nan 0.000 0.302 111 S N -0.281 115.382 115.700 -0.063 0.000 2.617 111 S HA 0.190 4.660 4.470 -0.000 0.000 0.269 111 S C 1.010 175.558 174.600 -0.086 0.000 1.292 111 S CA -0.687 57.457 58.200 -0.093 0.000 1.010 111 S CB 1.703 64.815 63.200 -0.147 0.000 0.944 111 S HN 0.321 nan 8.310 nan 0.000 0.536 112 K N 0.212 120.556 120.400 -0.094 0.000 2.062 112 K HA 0.151 4.471 4.320 -0.000 0.000 0.205 112 K C 0.066 176.618 176.600 -0.080 0.000 1.051 112 K CA 0.940 57.186 56.287 -0.068 0.000 0.941 112 K CB -0.366 32.107 32.500 -0.045 0.000 0.719 112 K HN 0.539 nan 8.250 nan 0.000 0.440 113 L N 0.399 121.540 121.223 -0.136 0.000 2.341 113 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 113 L C -0.378 176.395 176.870 -0.161 0.000 1.009 113 L CA -0.983 53.778 54.840 -0.131 0.000 0.819 113 L CB 2.044 44.027 42.059 -0.126 0.000 1.323 113 L HN -0.101 nan 8.230 nan 0.000 0.425 114 R N 1.548 121.983 120.500 -0.109 0.000 2.534 114 R HA 0.530 4.870 4.340 -0.000 0.000 0.301 114 R C -1.131 175.123 176.300 -0.077 0.000 0.961 114 R CA -0.852 55.187 56.100 -0.102 0.000 0.871 114 R CB 2.406 32.665 30.300 -0.068 0.000 1.170 114 R HN 0.493 nan 8.270 nan 0.000 0.446 115 K N 3.360 123.710 120.400 -0.084 0.000 2.259 115 K HA 0.430 4.750 4.320 -0.000 0.000 0.249 115 K C -2.437 174.141 176.600 -0.036 0.000 0.942 115 K CA -2.084 54.175 56.287 -0.046 0.000 0.816 115 K CB 2.210 34.690 32.500 -0.034 0.000 1.155 115 K HN 0.311 nan 8.250 nan 0.000 0.428 116 P HA 0.015 nan 4.420 nan 0.000 0.268 116 P C 0.619 177.907 177.300 -0.020 0.000 1.205 116 P CA 0.077 63.181 63.100 0.006 0.000 0.771 116 P CB 0.355 32.077 31.700 0.036 0.000 0.858 117 I N -0.788 119.750 120.570 -0.053 0.000 2.928 117 I HA 0.046 4.216 4.170 -0.000 0.000 0.266 117 I C 0.635 176.594 176.117 -0.264 0.000 1.234 117 I CA 0.511 61.712 61.300 -0.165 0.000 1.483 117 I CB -0.671 37.201 38.000 -0.214 0.000 1.097 117 I HN 0.232 nan 8.210 nan 0.000 0.455 118 H N 2.570 121.628 119.070 -0.019 0.000 2.489 118 H HA 0.794 5.350 4.556 -0.000 0.000 0.322 118 H C -0.508 174.809 175.328 -0.019 0.000 1.091 118 H CA -0.199 55.838 56.048 -0.018 0.000 1.291 118 H CB 1.676 31.431 29.762 -0.011 0.000 1.436 118 H HN 0.398 nan 8.280 nan 0.000 0.480 119 A N 3.396 126.264 122.820 0.080 0.000 2.594 119 A HA 0.222 4.541 4.320 -0.000 0.000 0.296 119 A C -0.983 176.618 177.584 0.029 0.000 1.061 119 A CA -1.020 51.041 52.037 0.040 0.000 0.689 119 A CB 1.268 20.275 19.000 0.011 0.000 1.280 119 A HN 0.598 nan 8.150 nan 0.000 0.406 120 D N 3.118 123.532 120.400 0.022 0.000 2.443 120 D HA 0.308 4.948 4.640 -0.000 0.000 0.239 120 D C -1.998 174.307 176.300 0.008 0.000 1.136 120 D CA 0.023 54.033 54.000 0.017 0.000 0.879 120 D CB 0.355 41.164 40.800 0.015 0.000 1.195 120 D HN 0.357 nan 8.370 nan 0.000 0.443 121 P HA 0.132 nan 4.420 nan 0.000 0.269 121 P C -2.424 174.882 177.300 0.010 0.000 1.209 121 P CA -1.017 62.086 63.100 0.004 0.000 0.776 121 P CB -0.474 31.233 31.700 0.012 0.000 0.876 122 P HA -0.051 nan 4.420 nan 0.000 0.264 122 P C 0.529 177.843 177.300 0.023 0.000 1.179 122 P CA 0.346 63.448 63.100 0.004 0.000 0.763 122 P CB 0.124 31.818 31.700 -0.010 0.000 0.806 123 S N 2.271 117.988 115.700 0.028 0.000 2.598 123 S HA 0.016 4.486 4.470 -0.000 0.000 0.256 123 S C 1.053 175.707 174.600 0.090 0.000 1.350 123 S CA -0.369 57.870 58.200 0.066 0.000 0.984 123 S CB -0.124 63.112 63.200 0.061 0.000 0.930 123 S HN 0.424 nan 8.310 nan 0.000 0.577 124 F N 1.235 121.185 119.950 0.000 0.000 2.216 124 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 124 F C 2.362 178.162 175.800 -0.001 0.000 1.085 124 F CA 1.390 59.390 58.000 0.000 0.000 1.326 124 F CB -0.987 38.013 39.000 0.001 0.000 1.027 124 F HN 0.690 nan 8.300 nan 0.000 0.497 125 A N -0.244 122.537 122.820 -0.065 0.000 2.014 125 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 125 A C 1.956 179.437 177.584 -0.171 0.000 1.163 125 A CA 1.456 53.404 52.037 -0.147 0.000 0.652 125 A CB -0.700 18.298 19.000 -0.004 0.000 0.808 125 A HN 0.542 nan 8.150 nan 0.000 0.449 126 E N 0.086 120.215 120.200 -0.119 0.000 2.489 126 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 126 E C -0.006 176.525 176.600 -0.116 0.000 1.057 126 E CA -0.191 56.153 56.400 -0.092 0.000 0.866 126 E CB 0.138 29.809 29.700 -0.048 0.000 0.916 126 E HN 0.523 nan 8.360 nan 0.000 0.500 127 Q N 0.344 120.030 119.800 -0.190 0.000 2.373 127 Q HA 0.213 4.552 4.340 -0.000 0.000 0.255 127 Q C -0.401 175.508 176.000 -0.153 0.000 0.980 127 Q CA 0.214 55.913 55.803 -0.174 0.000 0.882 127 Q CB 1.783 30.374 28.738 -0.246 0.000 1.249 127 Q HN -0.077 nan 8.270 nan 0.000 0.438 128 S N 0.930 116.571 115.700 -0.098 0.000 2.737 128 S HA 0.402 4.872 4.470 -0.000 0.000 0.269 128 S C -1.030 173.540 174.600 -0.049 0.000 1.150 128 S CA -0.568 57.588 58.200 -0.073 0.000 1.077 128 S CB 0.534 63.700 63.200 -0.056 0.000 1.075 128 S HN 0.585 nan 8.310 nan 0.000 0.476 129 T N 1.327 115.854 114.554 -0.045 0.000 2.888 129 T HA 0.875 5.225 4.350 -0.000 0.000 0.284 129 T C -0.389 174.301 174.700 -0.016 0.000 1.017 129 T CA -0.757 61.328 62.100 -0.025 0.000 1.022 129 T CB 1.495 70.352 68.868 -0.020 0.000 1.013 129 T HN 0.882 nan 8.240 nan 0.000 0.465 130 S N 0.065 115.761 115.700 -0.005 0.000 2.535 130 S HA 0.667 5.137 4.470 -0.000 0.000 0.272 130 S C -0.773 173.833 174.600 0.009 0.000 1.149 130 S CA -1.051 57.149 58.200 0.000 0.000 0.888 130 S CB 1.199 64.399 63.200 -0.000 0.000 1.110 130 S HN 1.362 nan 8.310 nan 0.000 0.463 131 A N 1.708 124.535 122.820 0.011 0.000 2.880 131 A HA 0.661 4.981 4.320 -0.000 0.000 0.328 131 A C 0.000 177.599 177.584 0.024 0.000 1.440 131 A CA -0.364 51.684 52.037 0.018 0.000 1.068 131 A CB -0.358 18.649 19.000 0.012 0.000 1.163 131 A HN 0.798 nan 8.150 nan 0.000 0.510 132 E N 2.907 123.126 120.200 0.032 0.000 2.216 132 E HA 0.476 4.826 4.350 -0.000 0.000 0.260 132 E C -0.950 175.683 176.600 0.056 0.000 0.880 132 E CA -0.651 55.772 56.400 0.038 0.000 0.765 132 E CB 0.967 30.686 29.700 0.031 0.000 1.174 132 E HN 0.596 nan 8.360 nan 0.000 0.417 133 I N 3.848 124.455 120.570 0.062 0.000 2.752 133 I HA -0.052 4.118 4.170 -0.000 0.000 0.287 133 I C 0.045 176.211 176.117 0.082 0.000 1.188 133 I CA 0.133 61.481 61.300 0.080 0.000 1.427 133 I CB 0.332 38.381 38.000 0.082 0.000 1.365 133 I HN 0.473 nan 8.210 nan 0.000 0.585 134 L N 6.965 128.252 121.223 0.107 0.000 2.313 134 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 134 L C 0.114 177.039 176.870 0.091 0.000 1.028 134 L CA -0.171 54.736 54.840 0.111 0.000 0.871 134 L CB 0.781 42.932 42.059 0.152 0.000 1.242 134 L HN 0.530 nan 8.230 nan 0.000 0.434 135 E N 1.719 121.953 120.200 0.057 0.000 2.480 135 E HA -0.033 4.317 4.350 -0.000 0.000 0.258 135 E C 0.486 177.095 176.600 0.014 0.000 0.984 135 E CA 0.767 57.181 56.400 0.022 0.000 0.930 135 E CB 0.790 30.500 29.700 0.016 0.000 0.936 135 E HN 0.781 nan 8.360 nan 0.000 0.466 136 T N 0.958 115.494 114.554 -0.030 0.000 2.990 136 T HA 0.262 4.612 4.350 -0.000 0.000 0.249 136 T C 1.392 176.052 174.700 -0.066 0.000 1.039 136 T CA 0.426 62.501 62.100 -0.041 0.000 1.036 136 T CB 0.396 69.200 68.868 -0.107 0.000 0.994 136 T HN 0.711 nan 8.240 nan 0.000 0.489 137 G N 1.553 110.318 108.800 -0.059 0.000 2.176 137 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 137 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 137 G C -0.024 174.849 174.900 -0.045 0.000 0.979 137 G CA 0.099 45.167 45.100 -0.053 0.000 0.641 137 G HN 0.648 nan 8.290 nan 0.000 0.530 138 I N 1.196 121.732 120.570 -0.057 0.000 2.312 138 I HA 0.281 4.450 4.170 -0.000 0.000 0.290 138 I C 1.583 177.691 176.117 -0.015 0.000 1.008 138 I CA -0.727 60.576 61.300 0.004 0.000 1.226 138 I CB 1.322 39.319 38.000 -0.006 0.000 1.371 138 I HN -0.002 nan 8.210 nan 0.000 0.468 139 K N 3.854 124.248 120.400 -0.010 0.000 2.015 139 K HA -0.236 4.084 4.320 -0.000 0.000 0.216 139 K C 1.964 178.493 176.600 -0.118 0.000 1.052 139 K CA 2.060 58.304 56.287 -0.071 0.000 0.937 139 K CB -0.229 32.234 32.500 -0.062 0.000 0.719 139 K HN 0.667 nan 8.250 nan 0.000 0.446 140 V N 0.273 120.154 119.914 -0.056 0.000 2.407 140 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 140 V C 1.962 178.033 176.094 -0.039 0.000 1.055 140 V CA 1.683 63.949 62.300 -0.057 0.000 1.049 140 V CB -0.215 31.625 31.823 0.029 0.000 0.662 140 V HN 0.130 nan 8.190 nan 0.000 0.455 141 V N 0.973 120.879 119.914 -0.014 0.000 2.244 141 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 141 V C 2.559 178.582 176.094 -0.118 0.000 1.042 141 V CA 2.516 64.755 62.300 -0.102 0.000 1.006 141 V CB -0.957 30.699 31.823 -0.279 0.000 0.641 141 V HN 0.546 nan 8.190 nan 0.000 0.446 142 D N -0.104 120.227 120.400 -0.115 0.000 2.149 142 D HA -0.166 4.473 4.640 -0.000 0.000 0.198 142 D C 1.877 178.179 176.300 0.004 0.000 0.990 142 D CA 1.365 55.325 54.000 -0.065 0.000 0.839 142 D CB -0.258 40.491 40.800 -0.085 0.000 0.948 142 D HN 0.358 nan 8.370 nan 0.000 0.460 143 L N -0.158 121.022 121.223 -0.070 0.000 2.034 143 L HA 0.022 4.362 4.340 -0.000 0.000 0.203 143 L C 2.012 178.946 176.870 0.108 0.000 1.074 143 L CA 1.391 56.216 54.840 -0.025 0.000 0.748 143 L CB -0.303 41.549 42.059 -0.345 0.000 0.905 143 L HN -0.030 nan 8.230 nan 0.000 0.439 144 L N -0.732 120.467 121.223 -0.039 0.000 2.354 144 L HA 0.297 4.637 4.340 -0.000 0.000 0.212 144 L C 0.583 177.448 176.870 -0.009 0.000 1.091 144 L CA 0.500 55.312 54.840 -0.046 0.000 0.828 144 L CB -0.144 41.869 42.059 -0.078 0.000 0.973 144 L HN 0.335 nan 8.230 nan 0.000 0.461 145 A N 0.132 122.963 122.820 0.018 0.000 3.277 145 A HA 0.490 4.810 4.320 -0.000 0.000 0.281 145 A C -2.699 174.932 177.584 0.079 0.000 1.179 145 A CA -0.807 51.267 52.037 0.062 0.000 0.879 145 A CB -0.030 19.028 19.000 0.096 0.000 1.374 145 A HN -0.155 nan 8.150 nan 0.000 0.590 146 P HA 0.274 nan 4.420 nan 0.000 0.271 146 P C -0.585 176.843 177.300 0.213 0.000 1.218 146 P CA 0.268 63.410 63.100 0.069 0.000 0.780 146 P CB 0.325 32.085 31.700 0.099 0.000 0.901 147 Y N 0.638 120.987 120.300 0.082 0.000 2.300 147 Y HA 0.503 5.052 4.550 -0.000 0.000 0.328 147 Y C 0.977 176.910 175.900 0.054 0.000 1.270 147 Y CA -1.625 56.517 58.100 0.071 0.000 1.352 147 Y CB 0.045 38.553 38.460 0.081 0.000 1.286 147 Y HN 0.329 nan 8.280 nan 0.000 0.536 148 A N 3.070 126.007 122.820 0.195 0.000 2.317 148 A HA 0.571 4.891 4.320 -0.000 0.000 0.327 148 A C -0.084 177.547 177.584 0.079 0.000 1.178 148 A CA -1.010 51.092 52.037 0.108 0.000 0.817 148 A CB 0.504 19.545 19.000 0.068 0.000 1.189 148 A HN 0.798 nan 8.150 nan 0.000 0.489 149 R N 1.064 121.606 120.500 0.070 0.000 2.484 149 R HA 0.329 4.669 4.340 -0.000 0.000 0.293 149 R C 1.131 177.447 176.300 0.027 0.000 1.023 149 R CA 1.193 57.324 56.100 0.053 0.000 1.037 149 R CB 0.217 30.550 30.300 0.055 0.000 0.951 149 R HN 1.562 nan 8.270 nan 0.000 0.418 150 G N 2.003 110.809 108.800 0.009 0.000 2.179 150 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 150 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 150 G C 0.335 175.223 174.900 -0.019 0.000 1.010 150 G CA 0.120 45.215 45.100 -0.008 0.000 0.736 150 G HN 0.875 nan 8.290 nan 0.000 0.513 151 G N -1.088 107.697 108.800 -0.025 0.000 2.601 151 G HA2 0.688 4.648 3.960 -0.000 0.000 0.317 151 G HA3 0.688 4.648 3.960 -0.000 0.000 0.317 151 G C -0.411 174.446 174.900 -0.072 0.000 1.246 151 G CA -0.921 44.161 45.100 -0.029 0.000 1.012 151 G HN 0.354 nan 8.290 nan 0.000 0.494 152 K N -0.182 120.177 120.400 -0.069 0.000 2.244 152 K HA 0.536 4.856 4.320 -0.000 0.000 0.260 152 K C -1.071 175.449 176.600 -0.134 0.000 0.951 152 K CA -0.311 55.915 56.287 -0.102 0.000 0.826 152 K CB 2.289 34.753 32.500 -0.060 0.000 1.108 152 K HN 0.254 nan 8.250 nan 0.000 0.433 153 I N 1.447 121.887 120.570 -0.216 0.000 2.436 153 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 153 I C 0.181 176.160 176.117 -0.230 0.000 1.010 153 I CA -0.637 60.472 61.300 -0.317 0.000 1.098 153 I CB 2.191 39.804 38.000 -0.645 0.000 1.266 153 I HN 0.645 nan 8.210 nan 0.000 0.434 154 G N 6.505 115.218 108.800 -0.146 0.000 2.416 154 G HA2 0.738 4.698 3.960 -0.000 0.000 0.329 154 G HA3 0.738 4.698 3.960 -0.000 0.000 0.329 154 G C -0.891 173.955 174.900 -0.089 0.000 1.173 154 G CA -0.545 44.461 45.100 -0.157 0.000 0.929 154 G HN 0.481 nan 8.290 nan 0.000 0.475 155 L N 2.161 123.276 121.223 -0.180 0.000 2.356 155 L HA 0.388 4.728 4.340 -0.000 0.000 0.264 155 L C -0.842 175.946 176.870 -0.136 0.000 1.029 155 L CA -0.615 54.145 54.840 -0.132 0.000 0.897 155 L CB 0.675 42.632 42.059 -0.169 0.000 1.256 155 L HN 0.304 nan 8.230 nan 0.000 0.444 156 F N 1.386 121.250 119.950 -0.144 0.000 2.412 156 F HA 0.656 5.183 4.527 -0.000 0.000 0.348 156 F C 1.100 176.835 175.800 -0.108 0.000 1.102 156 F CA -0.143 57.774 58.000 -0.139 0.000 1.196 156 F CB 1.633 40.545 39.000 -0.147 0.000 1.144 156 F HN 0.418 nan 8.300 nan 0.000 0.541 157 G N 1.331 110.142 108.800 0.018 0.000 2.717 157 G HA2 0.480 4.440 3.960 -0.000 0.000 0.300 157 G HA3 0.480 4.440 3.960 -0.000 0.000 0.300 157 G C -0.490 174.304 174.900 -0.176 0.000 1.424 157 G CA -0.417 44.664 45.100 -0.032 0.000 1.033 157 G HN 0.937 nan 8.290 nan 0.000 0.577 158 G N 0.021 108.707 108.800 -0.190 0.000 2.631 158 G HA2 0.616 4.576 3.960 -0.000 0.000 0.271 158 G HA3 0.616 4.576 3.960 -0.000 0.000 0.271 158 G C 0.867 175.664 174.900 -0.172 0.000 1.302 158 G CA 0.362 45.271 45.100 -0.319 0.000 1.002 158 G HN 1.730 nan 8.290 nan 0.000 0.519 159 A N -1.237 121.535 122.820 -0.081 0.000 2.522 159 A HA 0.510 4.830 4.320 -0.000 0.000 0.256 159 A C 1.556 179.196 177.584 0.094 0.000 1.086 159 A CA 1.165 53.294 52.037 0.154 0.000 0.763 159 A CB -0.683 18.443 19.000 0.211 0.000 1.024 159 A HN 2.565 nan 8.150 nan 0.000 0.502 160 G N 0.859 109.724 108.800 0.108 0.000 2.159 160 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.256 160 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.256 160 G C 0.881 175.830 174.900 0.082 0.000 0.977 160 G CA 0.804 45.952 45.100 0.079 0.000 0.652 160 G HN 2.074 nan 8.290 nan 0.000 0.531 161 V N -3.031 116.937 119.914 0.090 0.000 2.725 161 V HA 0.608 4.728 4.120 -0.000 0.000 0.247 161 V C 1.765 177.968 176.094 0.183 0.000 1.058 161 V CA 1.751 64.122 62.300 0.119 0.000 1.080 161 V CB 0.211 32.075 31.823 0.068 0.000 0.713 161 V HN 2.104 nan 8.190 nan 0.000 0.465 162 G N -0.012 108.883 108.800 0.159 0.000 2.598 162 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.221 162 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.221 162 G C 0.420 175.472 174.900 0.253 0.000 1.019 162 G CA 0.105 45.329 45.100 0.206 0.000 0.912 162 G HN 0.416 nan 8.290 nan 0.000 0.574 163 K N -0.073 120.438 120.400 0.184 0.000 2.025 163 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 163 K C 2.419 179.162 176.600 0.237 0.000 1.049 163 K CA 1.862 58.257 56.287 0.179 0.000 0.933 163 K CB -0.200 32.369 32.500 0.116 0.000 0.714 163 K HN 0.246 nan 8.250 nan 0.000 0.438 164 T N 1.093 115.769 114.554 0.203 0.000 2.857 164 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 164 T C 2.115 176.934 174.700 0.198 0.000 1.048 164 T CA 0.875 63.094 62.100 0.200 0.000 1.139 164 T CB -0.144 68.823 68.868 0.166 0.000 0.874 164 T HN -0.069 nan 8.240 nan 0.000 0.455 165 V N 0.916 120.949 119.914 0.198 0.000 2.427 165 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 165 V C 2.006 178.248 176.094 0.247 0.000 1.051 165 V CA 1.376 63.794 62.300 0.196 0.000 1.048 165 V CB -0.698 31.232 31.823 0.178 0.000 0.666 165 V HN 0.365 nan 8.190 nan 0.000 0.456 166 F N 0.079 120.156 119.950 0.213 0.000 2.102 166 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 166 F C 2.145 178.014 175.800 0.114 0.000 1.105 166 F CA 1.635 59.771 58.000 0.226 0.000 1.239 166 F CB -0.172 38.989 39.000 0.268 0.000 0.991 166 F HN 0.020 nan 8.300 nan 0.000 0.474 167 I N -0.232 120.572 120.570 0.389 0.000 2.226 167 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 167 I C 2.346 178.509 176.117 0.077 0.000 1.100 167 I CA 1.450 62.912 61.300 0.271 0.000 1.374 167 I CB -0.369 37.799 38.000 0.280 0.000 1.057 167 I HN 0.265 nan 8.210 nan 0.000 0.413 168 Q N -0.134 119.696 119.800 0.049 0.000 2.084 168 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 168 Q C 2.060 177.982 176.000 -0.130 0.000 0.978 168 Q CA 1.716 57.491 55.803 -0.048 0.000 0.844 168 Q CB -0.098 28.636 28.738 -0.007 0.000 0.898 168 Q HN 0.342 nan 8.270 nan 0.000 0.426 169 E N 0.826 120.904 120.200 -0.203 0.000 2.106 169 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 169 E C 1.778 178.183 176.600 -0.324 0.000 0.984 169 E CA 0.822 56.972 56.400 -0.416 0.000 0.806 169 E CB -0.144 28.956 29.700 -1.000 0.000 0.750 169 E HN 0.267 nan 8.360 nan 0.000 0.458 170 L N -0.112 120.998 121.223 -0.188 0.000 2.017 170 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 170 L C 2.434 179.289 176.870 -0.024 0.000 1.073 170 L CA 1.169 56.002 54.840 -0.012 0.000 0.745 170 L CB -0.404 41.798 42.059 0.237 0.000 0.894 170 L HN 0.210 nan 8.230 nan 0.000 0.432 171 I N -0.039 120.431 120.570 -0.167 0.000 2.163 171 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 171 I C 2.301 178.335 176.117 -0.137 0.000 1.085 171 I CA 1.633 62.767 61.300 -0.276 0.000 1.347 171 I CB -0.385 37.357 38.000 -0.429 0.000 1.044 171 I HN 0.337 nan 8.210 nan 0.000 0.408 172 N N 0.820 119.437 118.700 -0.139 0.000 2.205 172 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 172 N C 1.475 176.934 175.510 -0.085 0.000 1.015 172 N CA 1.498 54.482 53.050 -0.111 0.000 0.862 172 N CB -0.035 38.374 38.487 -0.129 0.000 0.986 172 N HN 0.249 nan 8.380 nan 0.000 0.429 173 N N -0.835 117.811 118.700 -0.088 0.000 2.402 173 N HA 0.186 4.926 4.740 -0.000 0.000 0.174 173 N C 1.208 176.716 175.510 -0.004 0.000 1.027 173 N CA 0.624 53.637 53.050 -0.061 0.000 0.891 173 N CB 0.364 38.792 38.487 -0.099 0.000 1.016 173 N HN 0.348 nan 8.380 nan 0.000 0.439 174 I N -0.614 119.976 120.570 0.035 0.000 3.445 174 I HA 0.205 4.375 4.170 -0.000 0.000 0.288 174 I C 1.922 178.102 176.117 0.104 0.000 1.198 174 I CA 0.203 61.555 61.300 0.087 0.000 1.417 174 I CB -0.030 38.050 38.000 0.134 0.000 1.205 174 I HN -0.068 nan 8.210 nan 0.000 0.448 175 A N 1.485 124.359 122.820 0.089 0.000 1.929 175 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 175 A C 2.268 179.898 177.584 0.077 0.000 1.176 175 A CA 1.336 53.427 52.037 0.091 0.000 0.628 175 A CB -0.352 18.681 19.000 0.056 0.000 0.816 175 A HN 0.228 nan 8.150 nan 0.000 0.444 176 K N -0.290 120.131 120.400 0.034 0.000 2.020 176 K HA -0.109 4.211 4.320 -0.000 0.000 0.212 176 K C 0.820 177.440 176.600 0.033 0.000 1.050 176 K CA 1.332 57.630 56.287 0.019 0.000 0.929 176 K CB -0.294 32.203 32.500 -0.005 0.000 0.714 176 K HN 0.409 nan 8.250 nan 0.000 0.443 177 A N 0.870 123.717 122.820 0.044 0.000 2.508 177 A HA 0.250 4.570 4.320 -0.000 0.000 0.336 177 A C -0.212 177.425 177.584 0.088 0.000 1.360 177 A CA -0.433 51.627 52.037 0.039 0.000 0.841 177 A CB 0.198 19.207 19.000 0.014 0.000 1.136 177 A HN 0.421 nan 8.150 nan 0.000 0.489 178 H N 1.319 120.374 119.070 -0.025 0.000 2.573 178 H HA 0.405 4.961 4.556 -0.000 0.000 0.236 178 H C 1.364 176.651 175.328 -0.068 0.000 0.907 178 H CA 1.719 57.751 56.048 -0.028 0.000 1.058 178 H CB 0.766 30.525 29.762 -0.005 0.000 1.417 178 H HN 1.126 nan 8.280 nan 0.000 0.425 179 G N -0.214 108.420 108.800 -0.277 0.000 2.475 179 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.209 179 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.209 179 G C 1.113 175.751 174.900 -0.437 0.000 1.127 179 G CA 0.210 45.095 45.100 -0.357 0.000 0.681 179 G HN 0.864 nan 8.290 nan 0.000 0.517 180 G N -0.042 108.436 108.800 -0.536 0.000 2.928 180 G HA2 0.580 4.540 3.960 -0.000 0.000 0.163 180 G HA3 0.580 4.540 3.960 -0.000 0.000 0.163 180 G C -0.356 174.216 174.900 -0.547 0.000 1.573 180 G CA -0.226 44.557 45.100 -0.528 0.000 1.084 180 G HN 0.521 nan 8.290 nan 0.000 0.569 181 F N -0.656 119.291 119.950 -0.005 0.000 2.546 181 F HA 0.634 5.161 4.527 -0.000 0.000 0.320 181 F C 0.404 176.140 175.800 -0.108 0.000 1.076 181 F CA -0.700 57.189 58.000 -0.185 0.000 0.928 181 F CB 2.456 41.042 39.000 -0.691 0.000 1.189 181 F HN 0.158 nan 8.300 nan 0.000 0.465 182 S N 0.947 116.734 115.700 0.145 0.000 2.578 182 S HA 0.837 5.307 4.470 -0.000 0.000 0.301 182 S C -1.022 173.679 174.600 0.169 0.000 1.091 182 S CA -0.733 57.560 58.200 0.155 0.000 1.032 182 S CB 2.053 65.401 63.200 0.247 0.000 1.064 182 S HN 0.317 nan 8.310 nan 0.000 0.508 183 V N 2.733 122.760 119.914 0.189 0.000 2.577 183 V HA 0.481 4.601 4.120 -0.000 0.000 0.303 183 V C -1.187 175.042 176.094 0.225 0.000 1.042 183 V CA -0.687 61.720 62.300 0.179 0.000 0.872 183 V CB 1.313 33.210 31.823 0.123 0.000 0.998 183 V HN 0.832 nan 8.190 nan 0.000 0.423 184 F N 3.054 123.037 119.950 0.056 0.000 2.436 184 F HA 0.700 5.227 4.527 -0.000 0.000 0.340 184 F C 0.357 176.045 175.800 -0.186 0.000 1.113 184 F CA 0.085 58.086 58.000 0.003 0.000 1.022 184 F CB 1.788 40.771 39.000 -0.028 0.000 1.128 184 F HN 0.481 nan 8.300 nan 0.000 0.466 185 T N 4.576 118.788 114.554 -0.570 0.000 2.815 185 T HA 0.478 4.828 4.350 -0.000 0.000 0.289 185 T C -0.014 174.389 174.700 -0.494 0.000 1.000 185 T CA -0.657 61.176 62.100 -0.445 0.000 0.958 185 T CB 1.191 69.882 68.868 -0.296 0.000 0.944 185 T HN 0.847 nan 8.240 nan 0.000 0.442 186 G N 2.085 110.687 108.800 -0.331 0.000 2.356 186 G HA2 0.533 4.493 3.960 -0.000 0.000 0.312 186 G HA3 0.533 4.493 3.960 -0.000 0.000 0.312 186 G C -0.576 174.381 174.900 0.096 0.000 1.096 186 G CA -0.393 44.753 45.100 0.077 0.000 0.950 186 G HN 0.656 nan 8.290 nan 0.000 0.428 187 V N 2.491 122.439 119.914 0.057 0.000 2.378 187 V HA 0.623 4.743 4.120 -0.000 0.000 0.288 187 V C 1.103 177.246 176.094 0.082 0.000 1.016 187 V CA 0.240 62.573 62.300 0.055 0.000 0.840 187 V CB 0.940 32.771 31.823 0.013 0.000 0.994 187 V HN 1.345 nan 8.190 nan 0.000 0.431 188 G N 3.318 112.167 108.800 0.083 0.000 2.283 188 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.280 188 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.280 188 G C 0.131 175.074 174.900 0.071 0.000 1.029 188 G CA 0.532 45.669 45.100 0.062 0.000 0.840 188 G HN 0.605 nan 8.290 nan 0.000 0.505 189 E N -0.936 119.330 120.200 0.111 0.000 2.518 189 E HA 0.457 4.807 4.350 -0.000 0.000 0.241 189 E C 0.675 177.337 176.600 0.102 0.000 0.899 189 E CA -1.022 55.448 56.400 0.116 0.000 0.888 189 E CB 0.722 30.523 29.700 0.169 0.000 1.426 189 E HN 0.345 nan 8.360 nan 0.000 0.401 190 R N 0.400 120.959 120.500 0.097 0.000 2.267 190 R HA 0.195 4.535 4.340 -0.000 0.000 0.319 190 R C 1.125 177.442 176.300 0.028 0.000 1.067 190 R CA 0.060 56.194 56.100 0.057 0.000 0.936 190 R CB 0.379 30.712 30.300 0.054 0.000 1.006 190 R HN 0.424 nan 8.270 nan 0.000 0.452 191 T N 2.367 116.913 114.554 -0.013 0.000 2.665 191 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 191 T C 1.796 176.430 174.700 -0.110 0.000 1.035 191 T CA 1.469 63.515 62.100 -0.091 0.000 1.151 191 T CB -0.153 68.670 68.868 -0.074 0.000 0.862 191 T HN 0.574 nan 8.240 nan 0.000 0.438 192 R N 1.057 121.527 120.500 -0.051 0.000 2.119 192 R HA -0.201 4.139 4.340 -0.000 0.000 0.246 192 R C 2.174 178.454 176.300 -0.033 0.000 1.146 192 R CA 2.012 58.090 56.100 -0.035 0.000 0.962 192 R CB -0.218 30.080 30.300 -0.004 0.000 0.863 192 R HN 0.518 nan 8.270 nan 0.000 0.442 193 E N -1.081 119.114 120.200 -0.009 0.000 2.110 193 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 193 E C 1.894 178.479 176.600 -0.025 0.000 0.988 193 E CA 1.067 57.478 56.400 0.019 0.000 0.804 193 E CB -0.207 29.545 29.700 0.087 0.000 0.745 193 E HN 0.623 nan 8.360 nan 0.000 0.458 194 G N 1.502 110.222 108.800 -0.133 0.000 2.421 194 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.216 194 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.216 194 G C 1.454 176.191 174.900 -0.272 0.000 1.171 194 G CA 0.760 45.603 45.100 -0.428 0.000 0.775 194 G HN 0.189 nan 8.290 nan 0.000 0.543 195 N N 1.046 119.628 118.700 -0.196 0.000 2.069 195 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 195 N C 1.690 177.198 175.510 -0.003 0.000 1.031 195 N CA 1.655 54.668 53.050 -0.061 0.000 0.852 195 N CB -0.301 38.155 38.487 -0.052 0.000 1.018 195 N HN 0.134 nan 8.380 nan 0.000 0.423 196 D N 0.839 121.224 120.400 -0.024 0.000 2.104 196 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 196 D C 2.037 178.322 176.300 -0.026 0.000 0.994 196 D CA 0.582 54.572 54.000 -0.017 0.000 0.830 196 D CB -0.397 40.398 40.800 -0.008 0.000 0.959 196 D HN 0.244 nan 8.370 nan 0.000 0.452 197 L N -0.213 120.987 121.223 -0.038 0.000 2.027 197 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 197 L C 2.292 179.166 176.870 0.006 0.000 1.074 197 L CA 1.403 56.199 54.840 -0.074 0.000 0.745 197 L CB -0.662 41.285 42.059 -0.186 0.000 0.898 197 L HN 0.023 nan 8.230 nan 0.000 0.433 198 Y N 0.540 120.796 120.300 -0.073 0.000 2.128 198 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 198 Y C 2.890 178.766 175.900 -0.040 0.000 1.154 198 Y CA 2.250 60.328 58.100 -0.037 0.000 1.149 198 Y CB -0.429 38.011 38.460 -0.034 0.000 0.976 198 Y HN 0.211 nan 8.280 nan 0.000 0.505 199 R N 0.097 120.531 120.500 -0.109 0.000 2.073 199 R HA -0.232 4.108 4.340 -0.000 0.000 0.234 199 R C 2.234 178.448 176.300 -0.144 0.000 1.134 199 R CA 1.899 57.893 56.100 -0.177 0.000 0.952 199 R CB -0.401 29.846 30.300 -0.088 0.000 0.850 199 R HN 0.341 nan 8.270 nan 0.000 0.433 200 E N 0.582 120.726 120.200 -0.094 0.000 2.070 200 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 200 E C 1.982 178.526 176.600 -0.092 0.000 1.004 200 E CA 2.137 58.486 56.400 -0.085 0.000 0.805 200 E CB -0.126 29.528 29.700 -0.078 0.000 0.744 200 E HN 0.313 nan 8.360 nan 0.000 0.451 201 M N -0.115 119.429 119.600 -0.094 0.000 2.159 201 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 201 M C 2.183 178.427 176.300 -0.095 0.000 1.063 201 M CA 1.546 56.801 55.300 -0.075 0.000 1.110 201 M CB -0.618 31.965 32.600 -0.027 0.000 1.374 201 M HN 0.034 nan 8.290 nan 0.000 0.411 202 K N 0.336 120.637 120.400 -0.165 0.000 2.148 202 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 202 K C 1.931 178.464 176.600 -0.112 0.000 1.050 202 K CA 1.148 57.333 56.287 -0.171 0.000 0.942 202 K CB 0.018 32.349 32.500 -0.282 0.000 0.724 202 K HN 0.386 nan 8.250 nan 0.000 0.446 203 E N -0.380 119.758 120.200 -0.103 0.000 2.046 203 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 203 E C 1.810 178.376 176.600 -0.057 0.000 0.982 203 E CA 1.617 57.973 56.400 -0.074 0.000 0.800 203 E CB 0.045 29.703 29.700 -0.070 0.000 0.756 203 E HN 0.385 nan 8.360 nan 0.000 0.449 204 T N -2.261 112.259 114.554 -0.057 0.000 3.113 204 T HA 0.069 4.419 4.350 -0.000 0.000 0.263 204 T C 1.517 176.197 174.700 -0.034 0.000 1.143 204 T CA 0.521 62.594 62.100 -0.044 0.000 1.090 204 T CB -0.013 68.827 68.868 -0.047 0.000 0.922 204 T HN 0.311 nan 8.240 nan 0.000 0.521 205 G N 0.259 109.037 108.800 -0.036 0.000 2.160 205 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.251 205 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.251 205 G C 0.700 175.594 174.900 -0.009 0.000 1.008 205 G CA 0.185 45.271 45.100 -0.023 0.000 0.724 205 G HN 0.563 nan 8.290 nan 0.000 0.514 206 V N -0.383 119.526 119.914 -0.009 0.000 2.535 206 V HA 0.271 4.391 4.120 -0.000 0.000 0.246 206 V C 1.566 177.679 176.094 0.032 0.000 1.045 206 V CA 1.432 63.740 62.300 0.013 0.000 1.058 206 V CB 0.044 31.872 31.823 0.008 0.000 0.689 206 V HN 0.469 nan 8.190 nan 0.000 0.461 207 I N 1.076 121.656 120.570 0.017 0.000 2.339 207 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 207 I C -0.517 175.604 176.117 0.006 0.000 0.994 207 I CA -0.100 61.220 61.300 0.034 0.000 1.191 207 I CB 1.376 39.408 38.000 0.053 0.000 1.343 207 I HN 0.120 nan 8.210 nan 0.000 0.458 208 N N 5.222 123.937 118.700 0.026 0.000 2.442 208 N HA 0.391 5.131 4.740 -0.000 0.000 0.274 208 N C 0.649 176.175 175.510 0.027 0.000 1.002 208 N CA -0.490 52.568 53.050 0.014 0.000 0.910 208 N CB 1.629 40.126 38.487 0.017 0.000 1.244 208 N HN 0.504 nan 8.380 nan 0.000 0.492 209 L N 1.450 122.682 121.223 0.015 0.000 2.131 209 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 209 L C 1.162 178.049 176.870 0.029 0.000 1.092 209 L CA 1.200 56.059 54.840 0.031 0.000 0.759 209 L CB 0.027 42.098 42.059 0.020 0.000 0.903 209 L HN 0.550 nan 8.230 nan 0.000 0.435 210 E N -0.723 119.488 120.200 0.019 0.000 2.431 210 E HA 0.122 4.472 4.350 -0.000 0.000 0.200 210 E C 1.026 177.639 176.600 0.022 0.000 0.995 210 E CA 0.447 56.858 56.400 0.018 0.000 0.915 210 E CB 0.498 30.204 29.700 0.011 0.000 0.930 210 E HN 0.374 nan 8.360 nan 0.000 0.496 211 G N -0.552 108.263 108.800 0.025 0.000 3.247 211 G HA2 0.298 4.258 3.960 -0.000 0.000 0.163 211 G HA3 0.298 4.258 3.960 -0.000 0.000 0.163 211 G C -0.451 174.474 174.900 0.041 0.000 1.206 211 G CA -0.523 44.594 45.100 0.029 0.000 0.918 211 G HN -0.129 nan 8.290 nan 0.000 0.625 212 E N -0.025 120.203 120.200 0.046 0.000 2.248 212 E HA 0.629 4.979 4.350 -0.000 0.000 0.272 212 E C -0.824 175.819 176.600 0.072 0.000 1.008 212 E CA -0.277 56.163 56.400 0.066 0.000 0.856 212 E CB 1.771 31.514 29.700 0.071 0.000 1.120 212 E HN 0.195 nan 8.360 nan 0.000 0.397 213 S N 0.727 116.486 115.700 0.098 0.000 2.548 213 S HA 0.323 4.793 4.470 -0.000 0.000 0.286 213 S C 0.499 175.191 174.600 0.153 0.000 1.098 213 S CA -0.775 57.487 58.200 0.104 0.000 0.930 213 S CB 1.869 65.129 63.200 0.100 0.000 1.070 213 S HN 0.327 nan 8.310 nan 0.000 0.480 214 K N 0.359 120.844 120.400 0.142 0.000 2.354 214 K HA 0.293 4.613 4.320 -0.000 0.000 0.194 214 K C 0.031 176.749 176.600 0.198 0.000 1.038 214 K CA 0.286 56.688 56.287 0.192 0.000 1.052 214 K CB 0.749 33.311 32.500 0.104 0.000 0.861 214 K HN 0.315 nan 8.250 nan 0.000 0.535 215 V N 0.528 120.531 119.914 0.148 0.000 2.823 215 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 215 V C -1.756 174.422 176.094 0.141 0.000 1.072 215 V CA -0.843 61.544 62.300 0.145 0.000 0.937 215 V CB 1.815 33.721 31.823 0.140 0.000 1.013 215 V HN 0.109 nan 8.190 nan 0.000 0.430 216 A N 6.609 129.520 122.820 0.151 0.000 2.331 216 A HA 0.870 5.190 4.320 -0.000 0.000 0.320 216 A C -1.164 176.497 177.584 0.127 0.000 1.138 216 A CA -0.641 51.480 52.037 0.141 0.000 0.790 216 A CB 1.059 20.159 19.000 0.167 0.000 1.206 216 A HN 0.853 nan 8.150 nan 0.000 0.470 217 L N 2.481 123.766 121.223 0.104 0.000 2.307 217 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 217 L C -0.836 176.014 176.870 -0.033 0.000 1.023 217 L CA -0.893 53.974 54.840 0.046 0.000 0.810 217 L CB 1.773 43.938 42.059 0.178 0.000 1.231 217 L HN 0.404 nan 8.230 nan 0.000 0.423 218 V N 3.073 122.853 119.914 -0.224 0.000 2.577 218 V HA 0.520 4.640 4.120 -0.000 0.000 0.303 218 V C -0.947 174.918 176.094 -0.381 0.000 1.042 218 V CA -0.476 61.721 62.300 -0.172 0.000 0.872 218 V CB 1.950 33.703 31.823 -0.117 0.000 0.998 218 V HN 0.403 nan 8.190 nan 0.000 0.423 219 F N 1.821 121.800 119.950 0.047 0.000 2.547 219 F HA 0.784 5.310 4.527 -0.000 0.000 0.316 219 F C 0.558 176.374 175.800 0.028 0.000 1.121 219 F CA -0.612 57.419 58.000 0.053 0.000 0.911 219 F CB 2.670 41.697 39.000 0.045 0.000 1.179 219 F HN 0.558 nan 8.300 nan 0.000 0.443 220 G N 3.634 112.574 108.800 0.233 0.000 3.881 220 G HA2 0.346 4.306 3.960 -0.000 0.000 0.319 220 G HA3 0.346 4.306 3.960 -0.000 0.000 0.319 220 G C -0.835 174.147 174.900 0.137 0.000 1.472 220 G CA -0.467 44.716 45.100 0.138 0.000 0.851 220 G HN 0.298 nan 8.290 nan 0.000 0.495 221 Q N 0.861 120.747 119.800 0.142 0.000 2.272 221 Q HA 0.232 4.572 4.340 -0.000 0.000 0.192 221 Q C 2.072 178.112 176.000 0.067 0.000 1.059 221 Q CA -0.603 55.272 55.803 0.120 0.000 1.084 221 Q CB 0.722 29.517 28.738 0.096 0.000 1.139 221 Q HN 0.715 nan 8.270 nan 0.000 0.593 222 M N -0.289 119.343 119.600 0.053 0.000 2.700 222 M HA -0.043 4.436 4.480 -0.000 0.000 0.249 222 M C 0.713 177.024 176.300 0.018 0.000 1.082 222 M CA 1.230 56.548 55.300 0.029 0.000 1.077 222 M CB -0.329 32.284 32.600 0.022 0.000 1.477 222 M HN 0.344 nan 8.290 nan 0.000 0.529 223 N N 0.171 118.882 118.700 0.019 0.000 2.412 223 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 223 N C -0.264 175.252 175.510 0.011 0.000 1.101 223 N CA 0.261 53.318 53.050 0.011 0.000 0.881 223 N CB -0.184 38.307 38.487 0.006 0.000 0.969 223 N HN 0.398 nan 8.380 nan 0.000 0.459 224 E N 1.717 121.927 120.200 0.018 0.000 2.349 224 E HA 0.338 4.688 4.350 -0.000 0.000 0.265 224 E C -2.155 174.450 176.600 0.008 0.000 1.064 224 E CA -1.955 54.455 56.400 0.017 0.000 0.886 224 E CB 0.409 30.126 29.700 0.028 0.000 1.036 224 E HN 0.172 nan 8.360 nan 0.000 0.413 225 P HA -0.003 nan 4.420 nan 0.000 0.269 225 P C -1.792 175.505 177.300 -0.004 0.000 1.217 225 P CA -0.799 62.301 63.100 -0.000 0.000 0.783 225 P CB 0.010 31.712 31.700 0.002 0.000 0.898 226 P HA -0.121 nan 4.420 nan 0.000 0.225 226 P C 1.370 178.656 177.300 -0.022 0.000 1.148 226 P CA 1.494 64.577 63.100 -0.029 0.000 0.779 226 P CB -0.374 31.301 31.700 -0.041 0.000 0.780 227 G N 0.945 109.741 108.800 -0.006 0.000 2.404 227 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 227 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 227 G C 1.810 176.721 174.900 0.018 0.000 1.174 227 G CA 0.973 46.077 45.100 0.007 0.000 0.780 227 G HN 0.333 nan 8.290 nan 0.000 0.537 228 A N 0.739 123.570 122.820 0.018 0.000 1.902 228 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 228 A C 2.426 180.029 177.584 0.032 0.000 1.181 228 A CA 1.571 53.624 52.037 0.026 0.000 0.623 228 A CB -0.373 18.643 19.000 0.026 0.000 0.818 228 A HN 0.342 nan 8.150 nan 0.000 0.443 229 R N -0.650 119.864 120.500 0.024 0.000 2.148 229 R HA -0.024 4.316 4.340 -0.000 0.000 0.227 229 R C 2.229 178.562 176.300 0.055 0.000 1.103 229 R CA 1.009 57.127 56.100 0.030 0.000 0.983 229 R CB -0.335 29.967 30.300 0.003 0.000 0.874 229 R HN 0.508 nan 8.270 nan 0.000 0.451 230 A N 0.436 123.278 122.820 0.037 0.000 2.119 230 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 230 A C 1.758 179.470 177.584 0.212 0.000 1.152 230 A CA 0.811 52.886 52.037 0.064 0.000 0.708 230 A CB 0.138 19.113 19.000 -0.043 0.000 0.805 230 A HN 0.063 nan 8.150 nan 0.000 0.460 231 R N -1.862 118.707 120.500 0.114 0.000 2.369 231 R HA 0.143 4.483 4.340 -0.000 0.000 0.210 231 R C 1.693 177.994 176.300 0.001 0.000 0.881 231 R CA 0.766 56.904 56.100 0.062 0.000 1.031 231 R CB -0.795 29.528 30.300 0.039 0.000 1.184 231 R HN 0.326 nan 8.270 nan 0.000 0.581 232 V N 1.685 121.608 119.914 0.016 0.000 2.568 232 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 232 V C 2.129 178.185 176.094 -0.062 0.000 1.072 232 V CA 2.145 64.436 62.300 -0.015 0.000 1.084 232 V CB -0.314 31.516 31.823 0.012 0.000 0.676 232 V HN 0.303 nan 8.190 nan 0.000 0.469 233 A N -0.473 122.302 122.820 -0.075 0.000 1.930 233 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 233 A C 2.090 179.563 177.584 -0.185 0.000 1.175 233 A CA 1.698 53.642 52.037 -0.155 0.000 0.627 233 A CB -0.468 18.398 19.000 -0.223 0.000 0.815 233 A HN 0.561 nan 8.150 nan 0.000 0.443 234 L N -0.550 120.563 121.223 -0.183 0.000 2.131 234 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 234 L C 2.660 179.431 176.870 -0.165 0.000 1.092 234 L CA 1.605 56.322 54.840 -0.204 0.000 0.759 234 L CB -0.934 40.966 42.059 -0.265 0.000 0.903 234 L HN 0.339 nan 8.230 nan 0.000 0.435 235 T N -0.301 114.174 114.554 -0.131 0.000 2.737 235 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 235 T C 1.902 176.546 174.700 -0.093 0.000 1.038 235 T CA 1.332 63.371 62.100 -0.102 0.000 1.144 235 T CB -0.507 68.317 68.868 -0.074 0.000 0.866 235 T HN 0.533 nan 8.240 nan 0.000 0.434 236 G N 1.455 110.195 108.800 -0.101 0.000 2.422 236 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 236 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 236 G C 1.508 176.360 174.900 -0.080 0.000 1.146 236 G CA 0.577 45.621 45.100 -0.093 0.000 0.769 236 G HN 0.375 nan 8.290 nan 0.000 0.547 237 L N 1.052 122.210 121.223 -0.108 0.000 2.093 237 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 237 L C 2.811 179.641 176.870 -0.068 0.000 1.085 237 L CA 2.270 57.050 54.840 -0.101 0.000 0.755 237 L CB -0.978 40.996 42.059 -0.141 0.000 0.904 237 L HN 0.164 nan 8.230 nan 0.000 0.435 238 T N -0.105 114.403 114.554 -0.078 0.000 2.777 238 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 238 T C 2.010 176.677 174.700 -0.054 0.000 1.040 238 T CA 1.746 63.808 62.100 -0.063 0.000 1.141 238 T CB -0.233 68.587 68.868 -0.081 0.000 0.868 238 T HN 0.305 nan 8.240 nan 0.000 0.444 239 I N 1.559 122.089 120.570 -0.068 0.000 2.163 239 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 239 I C 2.986 179.093 176.117 -0.016 0.000 1.085 239 I CA 1.269 62.509 61.300 -0.100 0.000 1.347 239 I CB -0.594 37.386 38.000 -0.034 0.000 1.044 239 I HN 0.196 nan 8.210 nan 0.000 0.408 240 A N 0.478 123.355 122.820 0.094 0.000 1.902 240 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 240 A C 2.222 179.889 177.584 0.139 0.000 1.181 240 A CA 1.750 53.900 52.037 0.189 0.000 0.623 240 A CB -0.618 18.433 19.000 0.085 0.000 0.818 240 A HN 0.461 nan 8.150 nan 0.000 0.443 241 E N -1.881 118.348 120.200 0.049 0.000 2.153 241 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 241 E C 1.797 178.410 176.600 0.021 0.000 0.988 241 E CA 1.279 57.694 56.400 0.025 0.000 0.811 241 E CB -0.261 29.436 29.700 -0.004 0.000 0.746 241 E HN 0.800 nan 8.360 nan 0.000 0.466 242 Y N 0.274 120.493 120.300 -0.135 0.000 2.114 242 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 242 Y C 1.852 177.661 175.900 -0.151 0.000 1.143 242 Y CA 1.577 59.550 58.100 -0.211 0.000 1.135 242 Y CB -0.218 38.009 38.460 -0.387 0.000 0.980 242 Y HN -0.048 nan 8.280 nan 0.000 0.499 243 F N 0.164 120.194 119.950 0.134 0.000 2.202 243 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 243 F C 2.677 178.505 175.800 0.047 0.000 1.082 243 F CA 1.791 59.848 58.000 0.095 0.000 1.313 243 F CB -0.761 38.322 39.000 0.139 0.000 1.024 243 F HN 0.008 nan 8.300 nan 0.000 0.495 244 R N 0.372 120.983 120.500 0.185 0.000 2.057 244 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 244 R C 1.748 178.053 176.300 0.008 0.000 1.136 244 R CA 1.971 58.126 56.100 0.091 0.000 0.952 244 R CB -0.296 30.037 30.300 0.056 0.000 0.848 244 R HN 0.142 nan 8.270 nan 0.000 0.430 245 D N 0.030 120.392 120.400 -0.063 0.000 2.144 245 D HA -0.089 4.551 4.640 -0.000 0.000 0.207 245 D C 1.940 178.138 176.300 -0.169 0.000 0.970 245 D CA 0.976 54.912 54.000 -0.107 0.000 0.853 245 D CB -0.083 40.646 40.800 -0.118 0.000 1.007 245 D HN 0.237 nan 8.370 nan 0.000 0.469 246 E N 0.856 120.850 120.200 -0.343 0.000 2.086 246 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 246 E C 1.532 177.991 176.600 -0.234 0.000 0.975 246 E CA 0.550 56.694 56.400 -0.426 0.000 0.813 246 E CB -0.036 29.066 29.700 -0.997 0.000 0.768 246 E HN 0.447 nan 8.360 nan 0.000 0.457 247 E N 0.284 120.398 120.200 -0.144 0.000 2.479 247 E HA 0.125 4.475 4.350 -0.000 0.000 0.193 247 E C 0.316 176.971 176.600 0.093 0.000 1.049 247 E CA 0.116 56.552 56.400 0.059 0.000 0.870 247 E CB 0.364 30.217 29.700 0.255 0.000 0.944 247 E HN 0.198 nan 8.360 nan 0.000 0.492 248 G N 2.836 111.659 108.800 0.038 0.000 2.357 248 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.282 248 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.282 248 G C -0.012 174.932 174.900 0.074 0.000 0.910 248 G CA 0.593 45.716 45.100 0.039 0.000 1.267 248 G HN 0.064 nan 8.290 nan 0.000 0.476 249 Q N -0.399 119.474 119.800 0.120 0.000 2.416 249 Q HA 0.410 4.750 4.340 -0.000 0.000 0.279 249 Q C -0.719 175.344 176.000 0.104 0.000 1.101 249 Q CA -0.817 55.065 55.803 0.133 0.000 0.830 249 Q CB 1.558 30.465 28.738 0.283 0.000 1.402 249 Q HN 0.357 nan 8.270 nan 0.000 0.445 250 D N 0.759 121.198 120.400 0.065 0.000 2.339 250 D HA 0.317 4.957 4.640 -0.000 0.000 0.241 250 D C -0.613 175.815 176.300 0.213 0.000 1.183 250 D CA -0.006 54.059 54.000 0.110 0.000 0.859 250 D CB 0.918 41.756 40.800 0.062 0.000 1.067 250 D HN 0.023 nan 8.370 nan 0.000 0.484 251 V N 2.990 122.993 119.914 0.150 0.000 2.630 251 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 251 V C 0.246 176.316 176.094 -0.040 0.000 1.046 251 V CA -0.927 61.437 62.300 0.107 0.000 0.934 251 V CB 1.654 33.555 31.823 0.131 0.000 1.003 251 V HN 0.357 nan 8.190 nan 0.000 0.451 252 L N 4.491 125.630 121.223 -0.140 0.000 2.313 252 L HA 0.573 4.913 4.340 -0.000 0.000 0.283 252 L C -0.867 175.816 176.870 -0.311 0.000 1.013 252 L CA -0.530 54.108 54.840 -0.336 0.000 0.816 252 L CB 1.678 43.503 42.059 -0.390 0.000 1.236 252 L HN 0.471 nan 8.230 nan 0.000 0.419 253 L N 4.161 125.108 121.223 -0.460 0.000 2.319 253 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 253 L C -1.292 175.253 176.870 -0.543 0.000 1.005 253 L CA 0.124 54.760 54.840 -0.340 0.000 0.828 253 L CB 0.956 42.891 42.059 -0.206 0.000 1.227 253 L HN 0.196 nan 8.230 nan 0.000 0.415 254 F N 6.054 125.903 119.950 -0.168 0.000 2.427 254 F HA 0.607 5.134 4.527 -0.000 0.000 0.346 254 F C 0.021 175.481 175.800 -0.567 0.000 1.120 254 F CA -0.449 57.385 58.000 -0.277 0.000 1.033 254 F CB 1.278 40.204 39.000 -0.125 0.000 1.126 254 F HN 0.231 nan 8.300 nan 0.000 0.462 255 I N 2.933 123.323 120.570 -0.300 0.000 2.466 255 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 255 I C -1.306 174.655 176.117 -0.259 0.000 1.026 255 I CA -0.567 60.517 61.300 -0.361 0.000 1.078 255 I CB 2.063 39.911 38.000 -0.253 0.000 1.249 255 I HN 0.416 nan 8.210 nan 0.000 0.429 256 D N 5.724 125.968 120.400 -0.261 0.000 2.478 256 D HA 0.235 4.874 4.640 -0.000 0.000 0.240 256 D C -1.522 174.796 176.300 0.030 0.000 1.364 256 D CA -0.301 53.673 54.000 -0.044 0.000 0.987 256 D CB 1.303 42.157 40.800 0.090 0.000 1.328 256 D HN 0.416 nan 8.370 nan 0.000 0.584 257 N N 4.195 122.930 118.700 0.058 0.000 2.296 257 N HA 0.243 4.983 4.740 -0.000 0.000 0.294 257 N C 0.552 176.105 175.510 0.071 0.000 1.033 257 N CA -0.481 52.612 53.050 0.072 0.000 0.839 257 N CB 1.791 40.367 38.487 0.148 0.000 1.395 257 N HN 0.508 nan 8.380 nan 0.000 0.479 258 I N 3.369 123.953 120.570 0.023 0.000 2.830 258 I HA -0.119 4.051 4.170 -0.000 0.000 0.263 258 I C 1.577 177.765 176.117 0.118 0.000 1.230 258 I CA 0.504 61.814 61.300 0.016 0.000 1.480 258 I CB -0.092 37.853 38.000 -0.092 0.000 1.095 258 I HN 0.556 nan 8.210 nan 0.000 0.455 259 F N 1.796 121.761 119.950 0.025 0.000 2.250 259 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 259 F C 2.282 178.144 175.800 0.104 0.000 1.077 259 F CA 1.441 59.490 58.000 0.081 0.000 1.348 259 F CB -0.290 38.794 39.000 0.140 0.000 1.040 259 F HN -0.032 nan 8.300 nan 0.000 0.509 260 R N -0.043 120.439 120.500 -0.031 0.000 2.148 260 R HA -0.165 4.175 4.340 -0.000 0.000 0.227 260 R C 2.156 178.371 176.300 -0.141 0.000 1.103 260 R CA 1.296 57.309 56.100 -0.147 0.000 0.983 260 R CB -1.622 28.691 30.300 0.022 0.000 0.874 260 R HN 0.514 nan 8.270 nan 0.000 0.451 261 F N 1.579 121.420 119.950 -0.183 0.000 2.134 261 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 261 F C 1.902 177.604 175.800 -0.164 0.000 1.097 261 F CA 1.590 59.504 58.000 -0.144 0.000 1.264 261 F CB -0.365 38.563 39.000 -0.119 0.000 1.001 261 F HN -0.141 nan 8.300 nan 0.000 0.479 262 T N 0.046 114.363 114.554 -0.396 0.000 2.857 262 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 262 T C 1.874 176.349 174.700 -0.374 0.000 1.048 262 T CA 1.379 63.202 62.100 -0.462 0.000 1.139 262 T CB -0.276 68.466 68.868 -0.210 0.000 0.874 262 T HN 0.450 nan 8.240 nan 0.000 0.455 263 Q N 0.546 120.044 119.800 -0.503 0.000 2.079 263 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 263 Q C 2.474 178.330 176.000 -0.240 0.000 0.974 263 Q CA 1.335 56.901 55.803 -0.395 0.000 0.840 263 Q CB -0.240 28.141 28.738 -0.595 0.000 0.898 263 Q HN 0.521 nan 8.270 nan 0.000 0.430 264 A N 0.544 123.215 122.820 -0.248 0.000 1.877 264 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 264 A C 2.300 179.770 177.584 -0.191 0.000 1.186 264 A CA 1.615 53.546 52.037 -0.177 0.000 0.620 264 A CB -1.466 17.447 19.000 -0.146 0.000 0.822 264 A HN 0.602 nan 8.150 nan 0.000 0.443 265 G N -0.130 108.490 108.800 -0.299 0.000 2.475 265 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 265 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 265 G C 1.838 176.650 174.900 -0.146 0.000 1.125 265 G CA 1.877 46.811 45.100 -0.276 0.000 0.755 265 G HN 0.981 nan 8.290 nan 0.000 0.565 266 S N -0.401 115.232 115.700 -0.112 0.000 2.528 266 S HA 0.149 4.619 4.470 -0.000 0.000 0.219 266 S C 1.751 176.301 174.600 -0.083 0.000 0.985 266 S CA 0.855 59.017 58.200 -0.063 0.000 0.914 266 S CB 0.099 63.267 63.200 -0.054 0.000 0.776 266 S HN 0.541 nan 8.310 nan 0.000 0.526 267 E N 0.972 121.119 120.200 -0.088 0.000 2.216 267 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 267 E C 1.918 178.486 176.600 -0.052 0.000 0.988 267 E CA 1.165 57.524 56.400 -0.069 0.000 0.834 267 E CB 0.115 29.775 29.700 -0.066 0.000 0.772 267 E HN 0.657 nan 8.360 nan 0.000 0.479 268 V N -2.740 117.142 119.914 -0.054 0.000 3.644 268 V HA 0.122 4.241 4.120 -0.000 0.000 0.267 268 V C 2.017 178.093 176.094 -0.031 0.000 1.277 268 V CA 0.701 62.978 62.300 -0.038 0.000 1.096 268 V CB 0.704 32.506 31.823 -0.036 0.000 0.828 268 V HN 0.045 nan 8.190 nan 0.000 0.446 269 S N 1.303 116.982 115.700 -0.035 0.000 2.383 269 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 269 S C 2.118 176.709 174.600 -0.014 0.000 1.030 269 S CA 2.104 60.291 58.200 -0.022 0.000 1.002 269 S CB -0.379 62.811 63.200 -0.017 0.000 0.829 269 S HN 0.992 nan 8.310 nan 0.000 0.467 270 A N 1.220 124.030 122.820 -0.018 0.000 1.872 270 A HA 0.139 4.459 4.320 -0.000 0.000 0.214 270 A C 2.118 179.696 177.584 -0.009 0.000 1.187 270 A CA 1.196 53.226 52.037 -0.012 0.000 0.614 270 A CB -0.745 18.246 19.000 -0.016 0.000 0.826 270 A HN 0.561 nan 8.150 nan 0.000 0.442 271 L N -0.597 120.619 121.223 -0.011 0.000 2.265 271 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 271 L C 2.058 178.927 176.870 -0.001 0.000 1.117 271 L CA 0.562 55.398 54.840 -0.006 0.000 0.782 271 L CB -0.405 41.649 42.059 -0.008 0.000 0.914 271 L HN 0.336 nan 8.230 nan 0.000 0.441 272 L N -0.469 120.752 121.223 -0.003 0.000 2.554 272 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 272 L C 1.420 178.293 176.870 0.005 0.000 1.137 272 L CA 0.637 55.478 54.840 0.002 0.000 0.863 272 L CB -0.229 41.829 42.059 -0.002 0.000 0.985 272 L HN 0.469 nan 8.230 nan 0.000 0.451 273 G N 0.452 109.254 108.800 0.003 0.000 2.131 273 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.223 273 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.223 273 G C 0.082 174.986 174.900 0.006 0.000 0.990 273 G CA -0.414 44.690 45.100 0.005 0.000 0.671 273 G HN 0.313 nan 8.290 nan 0.000 0.521 274 R N -0.344 120.158 120.500 0.004 0.000 2.404 274 R HA 0.645 4.985 4.340 -0.000 0.000 0.291 274 R C 0.860 177.165 176.300 0.008 0.000 1.025 274 R CA -0.774 55.330 56.100 0.007 0.000 0.991 274 R CB 1.132 31.437 30.300 0.008 0.000 1.053 274 R HN 0.285 nan 8.270 nan 0.000 0.479 275 I N 5.094 125.670 120.570 0.011 0.000 2.587 275 I HA 0.057 4.226 4.170 -0.000 0.000 0.284 275 I C -1.569 174.559 176.117 0.018 0.000 1.134 275 I CA -1.538 59.770 61.300 0.012 0.000 1.410 275 I CB 0.287 38.295 38.000 0.013 0.000 1.392 275 I HN 0.323 nan 8.210 nan 0.000 0.545 276 P HA 0.033 nan 4.420 nan 0.000 0.268 276 P C -0.232 177.092 177.300 0.041 0.000 1.205 276 P CA -0.065 63.050 63.100 0.026 0.000 0.771 276 P CB 1.183 32.890 31.700 0.013 0.000 0.858 277 S N 1.700 117.438 115.700 0.065 0.000 2.607 277 S HA 0.543 5.013 4.470 -0.000 0.000 0.272 277 S C 0.186 174.845 174.600 0.100 0.000 1.166 277 S CA -0.359 57.888 58.200 0.077 0.000 1.021 277 S CB 0.076 63.328 63.200 0.086 0.000 1.113 277 S HN 0.610 nan 8.310 nan 0.000 0.531 278 A N 0.370 123.254 122.820 0.108 0.000 2.565 278 A HA 0.361 4.681 4.320 -0.000 0.000 0.237 278 A C 1.000 178.697 177.584 0.188 0.000 1.053 278 A CA 0.409 52.518 52.037 0.119 0.000 0.755 278 A CB -0.848 18.215 19.000 0.104 0.000 0.980 278 A HN 1.664 nan 8.150 nan 0.000 0.506 279 V N 1.212 121.206 119.914 0.132 0.000 3.774 279 V HA -0.306 3.814 4.120 -0.000 0.000 0.216 279 V C 1.772 177.853 176.094 -0.022 0.000 0.441 279 V CA 1.575 63.938 62.300 0.105 0.000 0.985 279 V CB -2.525 29.430 31.823 0.219 0.000 1.085 279 V HN 2.937 nan 8.190 nan 0.000 1.240 280 G N -2.669 106.132 108.800 0.001 0.000 2.162 280 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 280 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 280 G C -0.095 174.751 174.900 -0.089 0.000 0.976 280 G CA 0.508 45.572 45.100 -0.059 0.000 0.655 280 G HN 0.893 nan 8.290 nan 0.000 0.533 281 Y N 1.346 121.657 120.300 0.019 0.000 2.296 281 Y HA 0.382 4.932 4.550 -0.000 0.000 0.343 281 Y C 1.411 177.307 175.900 -0.007 0.000 1.292 281 Y CA 0.137 58.240 58.100 0.005 0.000 1.490 281 Y CB 0.414 38.887 38.460 0.021 0.000 1.359 281 Y HN 0.429 nan 8.280 nan 0.000 0.599 282 Q N 2.017 121.929 119.800 0.188 0.000 2.394 282 Q HA 0.116 4.456 4.340 -0.000 0.000 0.248 282 Q C -2.451 173.596 176.000 0.077 0.000 0.992 282 Q CA -1.691 54.162 55.803 0.083 0.000 0.888 282 Q CB 0.603 29.361 28.738 0.034 0.000 1.257 282 Q HN 0.361 nan 8.270 nan 0.000 0.462 283 P HA -0.052 nan 4.420 nan 0.000 0.226 283 P C 0.821 178.140 177.300 0.032 0.000 1.153 283 P CA 1.498 64.623 63.100 0.041 0.000 0.777 283 P CB 0.106 31.824 31.700 0.029 0.000 0.794 284 T N -3.804 110.765 114.554 0.026 0.000 3.081 284 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 284 T C 1.610 176.326 174.700 0.026 0.000 1.100 284 T CA -0.188 61.926 62.100 0.023 0.000 1.038 284 T CB -1.001 67.877 68.868 0.017 0.000 0.962 284 T HN -0.041 nan 8.240 nan 0.000 0.516 285 L N 1.299 122.531 121.223 0.016 0.000 2.095 285 L HA -0.341 3.999 4.340 -0.000 0.000 0.229 285 L C 2.763 179.652 176.870 0.033 0.000 1.097 285 L CA 2.398 57.233 54.840 -0.007 0.000 0.813 285 L CB -0.674 41.348 42.059 -0.061 0.000 0.907 285 L HN 0.415 nan 8.230 nan 0.000 0.445 286 A N -1.562 121.285 122.820 0.046 0.000 1.897 286 A HA -0.163 4.156 4.320 -0.000 0.000 0.215 286 A C 2.291 179.939 177.584 0.106 0.000 1.181 286 A CA 1.924 54.011 52.037 0.084 0.000 0.620 286 A CB -1.033 18.009 19.000 0.069 0.000 0.821 286 A HN 0.641 nan 8.150 nan 0.000 0.443 287 T N -2.249 112.353 114.554 0.079 0.000 2.942 287 T HA -0.091 4.259 4.350 -0.000 0.000 0.265 287 T C 1.267 176.020 174.700 0.088 0.000 1.062 287 T CA 1.342 63.489 62.100 0.077 0.000 1.139 287 T CB -0.438 68.463 68.868 0.054 0.000 0.883 287 T HN 0.294 nan 8.240 nan 0.000 0.468 288 D N 0.973 121.432 120.400 0.100 0.000 2.149 288 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 288 D C 1.903 178.348 176.300 0.241 0.000 0.990 288 D CA 0.966 55.065 54.000 0.166 0.000 0.839 288 D CB -0.372 40.499 40.800 0.119 0.000 0.948 288 D HN 0.383 nan 8.370 nan 0.000 0.460 289 M N 0.002 119.710 119.600 0.180 0.000 2.200 289 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 289 M C 1.998 178.226 176.300 -0.120 0.000 1.066 289 M CA 1.622 56.969 55.300 0.078 0.000 1.127 289 M CB -0.046 32.600 32.600 0.077 0.000 1.379 289 M HN 0.044 nan 8.290 nan 0.000 0.420 290 G N 0.533 109.341 108.800 0.012 0.000 2.421 290 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 290 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 290 G C 1.367 176.257 174.900 -0.016 0.000 1.171 290 G CA 0.667 45.793 45.100 0.043 0.000 0.775 290 G HN 0.434 nan 8.290 nan 0.000 0.543 291 L N -0.313 120.915 121.223 0.007 0.000 2.129 291 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 291 L C 2.648 179.478 176.870 -0.068 0.000 1.087 291 L CA 0.603 55.443 54.840 0.001 0.000 0.757 291 L CB -0.323 41.765 42.059 0.048 0.000 0.896 291 L HN 0.269 nan 8.230 nan 0.000 0.434 292 L N -1.131 119.999 121.223 -0.156 0.000 2.071 292 L HA -0.101 4.239 4.340 -0.000 0.000 0.201 292 L C 2.550 179.258 176.870 -0.271 0.000 1.076 292 L CA 1.611 56.275 54.840 -0.293 0.000 0.755 292 L CB -0.765 40.929 42.059 -0.608 0.000 0.915 292 L HN 0.121 nan 8.230 nan 0.000 0.445 293 Q N 0.171 119.777 119.800 -0.323 0.000 2.096 293 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 293 Q C 2.039 177.949 176.000 -0.150 0.000 0.982 293 Q CA 1.523 57.136 55.803 -0.316 0.000 0.850 293 Q CB -0.354 28.000 28.738 -0.640 0.000 0.901 293 Q HN 0.607 nan 8.270 nan 0.000 0.422 294 E N 0.333 120.482 120.200 -0.085 0.000 2.338 294 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 294 E C 1.891 178.474 176.600 -0.028 0.000 1.007 294 E CA 0.438 56.834 56.400 -0.006 0.000 0.849 294 E CB -0.001 29.720 29.700 0.034 0.000 0.774 294 E HN 0.340 nan 8.360 nan 0.000 0.506 295 R N 0.216 120.677 120.500 -0.065 0.000 2.093 295 R HA 0.112 4.452 4.340 -0.000 0.000 0.224 295 R C 1.141 177.399 176.300 -0.070 0.000 1.101 295 R CA 0.327 56.389 56.100 -0.064 0.000 0.979 295 R CB -0.002 30.249 30.300 -0.082 0.000 0.877 295 R HN 0.077 nan 8.270 nan 0.000 0.441 296 I N 2.085 122.597 120.570 -0.096 0.000 2.455 296 I HA -0.001 4.169 4.170 -0.000 0.000 0.303 296 I C 0.119 176.194 176.117 -0.070 0.000 1.180 296 I CA 0.442 61.684 61.300 -0.098 0.000 1.469 296 I CB 0.027 37.945 38.000 -0.137 0.000 1.480 296 I HN 0.005 nan 8.210 nan 0.000 0.669 297 T N 2.739 117.262 114.554 -0.051 0.000 2.802 297 T HA 0.284 4.634 4.350 -0.000 0.000 0.311 297 T C -0.436 174.246 174.700 -0.030 0.000 1.405 297 T CA -0.400 61.679 62.100 -0.036 0.000 1.016 297 T CB 1.737 70.593 68.868 -0.020 0.000 1.352 297 T HN 0.270 nan 8.240 nan 0.000 0.498 298 T N 3.003 117.541 114.554 -0.026 0.000 2.856 298 T HA 0.612 4.962 4.350 -0.000 0.000 0.292 298 T C 0.417 175.101 174.700 -0.027 0.000 0.980 298 T CA -0.274 61.814 62.100 -0.021 0.000 1.091 298 T CB 0.855 69.712 68.868 -0.018 0.000 0.936 298 T HN 0.863 nan 8.240 nan 0.000 0.503 299 T N 0.023 114.561 114.554 -0.026 0.000 2.807 299 T HA 0.472 4.822 4.350 -0.000 0.000 0.277 299 T C 0.979 175.658 174.700 -0.035 0.000 1.006 299 T CA -1.041 61.037 62.100 -0.036 0.000 1.006 299 T CB 1.328 70.175 68.868 -0.034 0.000 1.274 299 T HN 0.382 nan 8.240 nan 0.000 0.569 300 K N -0.049 120.325 120.400 -0.043 0.000 2.365 300 K HA 0.069 4.389 4.320 -0.000 0.000 0.199 300 K C 2.026 178.608 176.600 -0.029 0.000 1.045 300 K CA 0.674 56.938 56.287 -0.038 0.000 0.962 300 K CB -0.014 32.459 32.500 -0.046 0.000 0.759 300 K HN 0.457 nan 8.250 nan 0.000 0.469 301 K N 0.014 120.398 120.400 -0.027 0.000 2.137 301 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 301 K C 0.946 177.539 176.600 -0.012 0.000 1.052 301 K CA 0.724 56.997 56.287 -0.024 0.000 0.961 301 K CB 0.502 32.983 32.500 -0.032 0.000 0.741 301 K HN 0.177 nan 8.250 nan 0.000 0.452 302 G N -0.428 108.368 108.800 -0.006 0.000 2.550 302 G HA2 0.288 4.248 3.960 -0.000 0.000 0.293 302 G HA3 0.288 4.248 3.960 -0.000 0.000 0.293 302 G C -1.714 173.193 174.900 0.011 0.000 1.402 302 G CA -0.540 44.566 45.100 0.011 0.000 0.784 302 G HN -0.049 nan 8.290 nan 0.000 0.482 303 S N -1.106 114.608 115.700 0.024 0.000 2.532 303 S HA 0.704 5.174 4.470 -0.000 0.000 0.299 303 S C -1.018 173.597 174.600 0.024 0.000 1.105 303 S CA -0.552 57.659 58.200 0.018 0.000 1.018 303 S CB 1.684 64.895 63.200 0.019 0.000 1.021 303 S HN 0.983 nan 8.310 nan 0.000 0.483 304 V N 4.413 124.325 119.914 -0.003 0.000 2.444 304 V HA 0.473 4.593 4.120 -0.000 0.000 0.294 304 V C -0.111 175.944 176.094 -0.066 0.000 1.022 304 V CA -0.596 61.687 62.300 -0.029 0.000 0.850 304 V CB 1.748 33.548 31.823 -0.038 0.000 0.992 304 V HN 0.971 nan 8.190 nan 0.000 0.426 305 T N 3.956 118.447 114.554 -0.105 0.000 2.743 305 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 305 T C 0.074 174.609 174.700 -0.274 0.000 0.972 305 T CA -0.351 61.657 62.100 -0.152 0.000 0.967 305 T CB 0.957 69.746 68.868 -0.131 0.000 0.926 305 T HN 0.830 nan 8.240 nan 0.000 0.459 306 S N 2.145 117.689 115.700 -0.259 0.000 2.500 306 S HA 0.741 5.211 4.470 -0.000 0.000 0.301 306 S C -0.641 173.767 174.600 -0.319 0.000 1.092 306 S CA -0.805 57.199 58.200 -0.326 0.000 1.030 306 S CB 1.398 64.456 63.200 -0.237 0.000 1.031 306 S HN 0.378 nan 8.310 nan 0.000 0.483 307 V N 3.213 122.907 119.914 -0.366 0.000 2.409 307 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 307 V C -0.477 175.533 176.094 -0.140 0.000 1.020 307 V CA -0.500 61.678 62.300 -0.203 0.000 0.848 307 V CB 1.222 33.043 31.823 -0.004 0.000 0.990 307 V HN 0.960 nan 8.190 nan 0.000 0.430 308 Q N 2.745 122.452 119.800 -0.154 0.000 2.333 308 Q HA 0.752 5.092 4.340 -0.000 0.000 0.267 308 Q C -0.279 175.631 176.000 -0.149 0.000 1.012 308 Q CA -0.560 55.148 55.803 -0.159 0.000 0.824 308 Q CB 2.526 31.143 28.738 -0.202 0.000 1.290 308 Q HN 0.907 nan 8.270 nan 0.000 0.449 309 A N 2.264 125.026 122.820 -0.097 0.000 2.363 309 A HA 0.545 4.865 4.320 -0.000 0.000 0.270 309 A C -0.517 176.989 177.584 -0.130 0.000 1.121 309 A CA -0.361 51.630 52.037 -0.077 0.000 0.800 309 A CB 0.580 19.593 19.000 0.021 0.000 1.052 309 A HN 0.496 nan 8.150 nan 0.000 0.493 310 V N 3.749 123.525 119.914 -0.229 0.000 2.419 310 V HA 0.170 4.290 4.120 -0.000 0.000 0.287 310 V C -0.712 175.285 176.094 -0.163 0.000 1.017 310 V CA -0.458 61.666 62.300 -0.294 0.000 0.844 310 V CB 0.806 32.103 31.823 -0.876 0.000 1.011 310 V HN 0.840 nan 8.190 nan 0.000 0.429 311 Y N 5.064 125.283 120.300 -0.136 0.000 2.411 311 Y HA 0.464 5.014 4.550 -0.000 0.000 0.333 311 Y C 0.025 175.649 175.900 -0.460 0.000 1.186 311 Y CA 0.073 58.010 58.100 -0.272 0.000 1.381 311 Y CB 1.265 39.546 38.460 -0.298 0.000 1.273 311 Y HN 0.398 nan 8.280 nan 0.000 0.546 312 V N 8.806 128.143 119.914 -0.961 0.000 2.293 312 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 312 V C -2.316 173.305 176.094 -0.789 0.000 1.021 312 V CA -2.113 59.811 62.300 -0.626 0.000 0.815 312 V CB 0.817 32.479 31.823 -0.269 0.000 1.025 312 V HN 0.706 nan 8.190 nan 0.000 0.448 313 P HA 0.210 nan 4.420 nan 0.000 0.268 313 P C 0.628 177.877 177.300 -0.085 0.000 1.204 313 P CA 0.485 63.503 63.100 -0.136 0.000 0.768 313 P CB 0.868 32.625 31.700 0.095 0.000 0.842 314 A N 3.578 126.379 122.820 -0.031 0.000 2.798 314 A HA -0.261 4.059 4.320 -0.000 0.000 0.282 314 A C 0.850 178.405 177.584 -0.048 0.000 1.464 314 A CA 1.257 53.288 52.037 -0.011 0.000 0.844 314 A CB -2.592 16.425 19.000 0.028 0.000 1.006 314 A HN 0.618 nan 8.150 nan 0.000 0.577 315 D N -1.877 118.453 120.400 -0.117 0.000 3.012 315 D HA -0.183 4.457 4.640 -0.000 0.000 0.222 315 D C -0.226 176.043 176.300 -0.052 0.000 1.167 315 D CA 2.101 56.043 54.000 -0.097 0.000 0.854 315 D CB -1.118 39.647 40.800 -0.058 0.000 1.107 315 D HN 0.964 nan 8.370 nan 0.000 0.421 316 D N 0.242 120.620 120.400 -0.037 0.000 2.467 316 D HA 0.249 4.889 4.640 -0.000 0.000 0.220 316 D C 1.413 177.737 176.300 0.039 0.000 1.103 316 D CA -0.431 53.575 54.000 0.009 0.000 0.886 316 D CB 0.150 40.970 40.800 0.033 0.000 1.025 316 D HN 0.097 nan 8.370 nan 0.000 0.514 317 L N 2.376 123.629 121.223 0.051 0.000 2.450 317 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 317 L C 2.171 179.126 176.870 0.140 0.000 1.149 317 L CA 1.295 56.209 54.840 0.123 0.000 0.816 317 L CB -0.373 41.749 42.059 0.104 0.000 0.932 317 L HN 0.483 nan 8.230 nan 0.000 0.449 318 T N -4.960 109.643 114.554 0.081 0.000 3.107 318 T HA -0.007 4.343 4.350 -0.000 0.000 0.249 318 T C 0.532 175.293 174.700 0.101 0.000 1.096 318 T CA -0.447 61.698 62.100 0.074 0.000 1.012 318 T CB -0.357 68.531 68.868 0.034 0.000 0.977 318 T HN 0.121 nan 8.240 nan 0.000 0.527 319 D N 2.380 122.855 120.400 0.125 0.000 2.455 319 D HA 0.159 4.799 4.640 -0.000 0.000 0.241 319 D C -1.396 174.979 176.300 0.125 0.000 1.138 319 D CA -1.937 52.159 54.000 0.160 0.000 0.877 319 D CB 1.288 42.207 40.800 0.199 0.000 1.187 319 D HN -0.037 nan 8.370 nan 0.000 0.451 320 P HA -0.217 nan 4.420 nan 0.000 0.217 320 P C 0.739 177.971 177.300 -0.113 0.000 1.151 320 P CA 2.074 65.132 63.100 -0.070 0.000 0.849 320 P CB 0.054 31.629 31.700 -0.209 0.000 0.787 321 A N 0.115 122.829 122.820 -0.177 0.000 1.835 321 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 321 A C 0.023 177.697 177.584 0.151 0.000 1.199 321 A CA 2.257 54.285 52.037 -0.015 0.000 0.615 321 A CB -2.254 16.873 19.000 0.212 0.000 0.838 321 A HN 0.215 nan 8.150 nan 0.000 0.444 322 P HA -0.150 nan 4.420 nan 0.000 0.215 322 P C 1.688 179.192 177.300 0.340 0.000 1.157 322 P CA 2.114 65.365 63.100 0.252 0.000 0.863 322 P CB -0.290 31.573 31.700 0.273 0.000 0.787 323 A N 0.090 123.118 122.820 0.346 0.000 1.903 323 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 323 A C 2.345 180.143 177.584 0.356 0.000 1.191 323 A CA 2.951 55.228 52.037 0.401 0.000 0.638 323 A CB -2.061 17.059 19.000 0.200 0.000 0.823 323 A HN 0.255 nan 8.150 nan 0.000 0.451 324 T N -0.476 114.209 114.554 0.219 0.000 2.915 324 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 324 T C 1.871 176.730 174.700 0.265 0.000 1.071 324 T CA 1.674 63.888 62.100 0.191 0.000 1.132 324 T CB -0.452 68.493 68.868 0.129 0.000 0.878 324 T HN 0.587 nan 8.240 nan 0.000 0.479 325 T N 1.810 116.517 114.554 0.255 0.000 2.867 325 T HA 0.002 4.351 4.350 -0.000 0.000 0.268 325 T C 1.500 176.364 174.700 0.274 0.000 1.057 325 T CA 0.721 62.961 62.100 0.235 0.000 1.136 325 T CB -0.525 68.356 68.868 0.022 0.000 0.874 325 T HN 0.283 nan 8.240 nan 0.000 0.466 326 F N 2.113 122.253 119.950 0.318 0.000 2.063 326 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 326 F C 2.669 178.526 175.800 0.096 0.000 1.105 326 F CA 1.352 59.474 58.000 0.204 0.000 1.215 326 F CB -0.828 38.180 39.000 0.014 0.000 0.972 326 F HN 0.156 nan 8.300 nan 0.000 0.483 327 A N -1.766 121.168 122.820 0.190 0.000 2.209 327 A HA -0.135 4.185 4.320 -0.000 0.000 0.212 327 A C 1.590 179.125 177.584 -0.083 0.000 1.158 327 A CA 1.004 53.049 52.037 0.012 0.000 0.742 327 A CB -0.957 17.996 19.000 -0.078 0.000 0.790 327 A HN 0.492 nan 8.150 nan 0.000 0.472 328 H N -1.008 118.114 119.070 0.088 0.000 2.539 328 H HA 0.290 4.846 4.556 -0.000 0.000 0.267 328 H C -0.365 174.977 175.328 0.024 0.000 0.982 328 H CA 0.435 56.507 56.048 0.039 0.000 1.146 328 H CB 0.031 29.799 29.762 0.010 0.000 1.382 328 H HN 0.336 nan 8.280 nan 0.000 0.577 329 L N 0.544 121.852 121.223 0.141 0.000 2.365 329 L HA 0.197 4.537 4.340 -0.000 0.000 0.273 329 L C 0.849 177.766 176.870 0.078 0.000 1.000 329 L CA -0.600 54.296 54.840 0.093 0.000 0.819 329 L CB 2.366 44.491 42.059 0.110 0.000 1.284 329 L HN -0.111 nan 8.230 nan 0.000 0.418 330 D N 1.799 122.224 120.400 0.041 0.000 2.194 330 D HA 0.061 4.701 4.640 -0.000 0.000 0.204 330 D C 0.453 176.791 176.300 0.064 0.000 0.964 330 D CA 0.810 54.837 54.000 0.044 0.000 0.846 330 D CB 0.637 41.452 40.800 0.025 0.000 0.962 330 D HN 0.523 nan 8.370 nan 0.000 0.490 331 A N 0.638 123.489 122.820 0.050 0.000 2.398 331 A HA 0.544 4.864 4.320 -0.000 0.000 0.301 331 A C -0.489 177.152 177.584 0.096 0.000 1.041 331 A CA -0.623 51.472 52.037 0.097 0.000 0.711 331 A CB 1.519 20.604 19.000 0.142 0.000 1.240 331 A HN -0.009 nan 8.150 nan 0.000 0.420 332 T N -0.225 114.428 114.554 0.164 0.000 2.840 332 T HA 0.675 5.025 4.350 -0.000 0.000 0.287 332 T C -0.358 174.454 174.700 0.187 0.000 0.991 332 T CA -0.398 61.826 62.100 0.206 0.000 0.964 332 T CB 1.052 70.061 68.868 0.235 0.000 0.954 332 T HN 1.005 nan 8.240 nan 0.000 0.438 333 T N 0.338 114.999 114.554 0.178 0.000 2.788 333 T HA 0.569 4.919 4.350 -0.000 0.000 0.296 333 T C -0.082 174.669 174.700 0.084 0.000 1.009 333 T CA -0.759 61.404 62.100 0.106 0.000 0.949 333 T CB 0.725 69.630 68.868 0.063 0.000 0.946 333 T HN 0.557 nan 8.240 nan 0.000 0.453 334 V N 5.290 125.248 119.914 0.073 0.000 2.432 334 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 334 V C 0.244 176.362 176.094 0.039 0.000 1.043 334 V CA -0.760 61.585 62.300 0.074 0.000 0.925 334 V CB 0.683 32.520 31.823 0.024 0.000 0.985 334 V HN 0.807 nan 8.190 nan 0.000 0.466 335 L N 4.077 125.325 121.223 0.041 0.000 2.325 335 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 335 L C 0.370 177.251 176.870 0.018 0.000 1.054 335 L CA 0.119 54.976 54.840 0.029 0.000 0.804 335 L CB 1.706 43.789 42.059 0.040 0.000 1.200 335 L HN 0.665 nan 8.230 nan 0.000 0.436 336 S N 1.985 117.687 115.700 0.003 0.000 2.478 336 S HA 0.336 4.806 4.470 -0.000 0.000 0.312 336 S C 0.800 175.385 174.600 -0.024 0.000 1.094 336 S CA -0.726 57.465 58.200 -0.014 0.000 1.081 336 S CB 1.472 64.660 63.200 -0.020 0.000 1.007 336 S HN 0.728 nan 8.310 nan 0.000 0.475 337 R N 3.555 124.042 120.500 -0.021 0.000 2.083 337 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 337 R C 2.150 178.430 176.300 -0.033 0.000 1.137 337 R CA 2.187 58.275 56.100 -0.020 0.000 0.951 337 R CB -1.079 29.213 30.300 -0.014 0.000 0.851 337 R HN 0.843 nan 8.270 nan 0.000 0.434 338 G N 1.128 109.909 108.800 -0.033 0.000 2.469 338 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 338 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 338 G C 1.465 176.336 174.900 -0.049 0.000 1.150 338 G CA 1.128 46.207 45.100 -0.036 0.000 0.763 338 G HN 0.313 nan 8.290 nan 0.000 0.561 339 I N 1.605 122.140 120.570 -0.058 0.000 2.353 339 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 339 I C 3.107 179.128 176.117 -0.160 0.000 1.119 339 I CA 1.481 62.733 61.300 -0.079 0.000 1.417 339 I CB -0.305 37.659 38.000 -0.059 0.000 1.078 339 I HN 0.367 nan 8.210 nan 0.000 0.421 340 S N 0.259 115.846 115.700 -0.187 0.000 2.428 340 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 340 S C 1.587 176.054 174.600 -0.222 0.000 1.014 340 S CA 0.742 58.727 58.200 -0.359 0.000 0.957 340 S CB -0.388 62.703 63.200 -0.181 0.000 0.784 340 S HN 0.488 nan 8.310 nan 0.000 0.499 341 E N 0.642 120.787 120.200 -0.091 0.000 2.481 341 E HA 0.196 4.545 4.350 -0.000 0.000 0.195 341 E C 1.112 177.697 176.600 -0.026 0.000 1.047 341 E CA 0.221 56.605 56.400 -0.027 0.000 0.867 341 E CB -0.131 29.563 29.700 -0.009 0.000 0.858 341 E HN 0.542 nan 8.360 nan 0.000 0.513 342 L N -0.476 120.713 121.223 -0.058 0.000 2.628 342 L HA 0.207 4.546 4.340 -0.000 0.000 0.229 342 L C 1.246 178.095 176.870 -0.036 0.000 1.137 342 L CA 0.189 55.006 54.840 -0.039 0.000 0.909 342 L CB 0.335 42.376 42.059 -0.031 0.000 1.137 342 L HN 0.252 nan 8.230 nan 0.000 0.470 343 G N 0.489 109.265 108.800 -0.041 0.000 2.157 343 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 343 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 343 G C 0.297 175.245 174.900 0.080 0.000 0.979 343 G CA -0.393 44.754 45.100 0.078 0.000 0.650 343 G HN 0.171 nan 8.290 nan 0.000 0.529 344 I N 1.208 121.691 120.570 -0.145 0.000 2.347 344 I HA 0.423 4.593 4.170 -0.000 0.000 0.294 344 I C -0.102 175.798 176.117 -0.361 0.000 1.090 344 I CA -0.329 60.920 61.300 -0.085 0.000 1.314 344 I CB -0.500 37.485 38.000 -0.025 0.000 1.423 344 I HN 0.062 nan 8.210 nan 0.000 0.503 345 Y N 7.158 127.449 120.300 -0.014 0.000 2.477 345 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 345 Y C -2.148 173.574 175.900 -0.295 0.000 0.981 345 Y CA -2.676 55.348 58.100 -0.125 0.000 1.033 345 Y CB 1.971 40.340 38.460 -0.152 0.000 1.245 345 Y HN 0.405 nan 8.280 nan 0.000 0.455 346 P HA 0.100 nan 4.420 nan 0.000 0.271 346 P C -0.328 177.046 177.300 0.124 0.000 1.216 346 P CA -0.146 63.000 63.100 0.077 0.000 0.776 346 P CB 1.122 32.968 31.700 0.244 0.000 0.881 347 A N 3.563 126.458 122.820 0.125 0.000 2.604 347 A HA 0.178 4.498 4.320 -0.000 0.000 0.248 347 A C 0.591 178.199 177.584 0.041 0.000 1.466 347 A CA -0.233 51.795 52.037 -0.015 0.000 1.222 347 A CB -1.195 17.746 19.000 -0.098 0.000 0.945 347 A HN 0.382 nan 8.150 nan 0.000 0.600 348 V N 1.176 121.145 119.914 0.091 0.000 2.572 348 V HA 0.013 4.133 4.120 -0.000 0.000 0.291 348 V C 0.493 176.612 176.094 0.042 0.000 1.039 348 V CA -0.328 62.019 62.300 0.079 0.000 1.055 348 V CB 1.006 32.906 31.823 0.129 0.000 0.969 348 V HN 0.571 nan 8.190 nan 0.000 0.482 349 D N 7.702 128.117 120.400 0.026 0.000 2.336 349 D HA 0.164 4.804 4.640 -0.000 0.000 0.249 349 D C -1.318 174.990 176.300 0.012 0.000 1.213 349 D CA -1.909 52.098 54.000 0.011 0.000 0.870 349 D CB 1.841 42.640 40.800 -0.003 0.000 1.076 349 D HN 0.285 nan 8.370 nan 0.000 0.483 350 P HA -0.033 nan 4.420 nan 0.000 0.229 350 P C 1.182 178.478 177.300 -0.008 0.000 1.160 350 P CA 0.479 63.582 63.100 0.005 0.000 0.777 350 P CB 0.481 32.188 31.700 0.011 0.000 0.814 351 L N -1.181 120.036 121.223 -0.011 0.000 2.693 351 L HA 0.249 4.588 4.340 -0.000 0.000 0.235 351 L C 1.500 178.349 176.870 -0.036 0.000 1.127 351 L CA 0.333 55.159 54.840 -0.024 0.000 0.914 351 L CB -0.055 41.990 42.059 -0.024 0.000 1.193 351 L HN -0.147 nan 8.230 nan 0.000 0.502 352 D N -1.236 119.146 120.400 -0.031 0.000 2.489 352 D HA 0.084 4.724 4.640 -0.000 0.000 0.231 352 D C 0.480 176.763 176.300 -0.028 0.000 1.114 352 D CA 0.286 54.256 54.000 -0.049 0.000 0.842 352 D CB 0.744 41.511 40.800 -0.055 0.000 1.133 352 D HN -0.064 nan 8.370 nan 0.000 0.506 353 S N 0.505 116.207 115.700 0.004 0.000 2.545 353 S HA 0.492 4.962 4.470 -0.000 0.000 0.275 353 S C -0.014 174.612 174.600 0.042 0.000 1.299 353 S CA -0.241 57.983 58.200 0.040 0.000 1.048 353 S CB 1.782 65.018 63.200 0.060 0.000 0.938 353 S HN 0.021 nan 8.310 nan 0.000 0.496 354 K N 0.847 121.290 120.400 0.072 0.000 2.512 354 K HA 0.675 4.995 4.320 -0.000 0.000 0.263 354 K C -1.170 175.489 176.600 0.099 0.000 0.966 354 K CA -0.678 55.647 56.287 0.063 0.000 0.851 354 K CB 2.163 34.682 32.500 0.033 0.000 1.395 354 K HN 0.531 nan 8.250 nan 0.000 0.440 355 S N 0.290 116.041 115.700 0.085 0.000 2.543 355 S HA 0.261 4.730 4.470 -0.000 0.000 0.273 355 S C 0.118 174.762 174.600 0.073 0.000 1.152 355 S CA -0.674 57.586 58.200 0.100 0.000 0.910 355 S CB 1.473 64.751 63.200 0.130 0.000 1.105 355 S HN 0.695 nan 8.310 nan 0.000 0.465 356 R N 2.432 122.973 120.500 0.068 0.000 2.159 356 R HA 0.010 4.350 4.340 -0.000 0.000 0.237 356 R C 1.348 177.675 176.300 0.046 0.000 1.131 356 R CA 1.422 57.552 56.100 0.050 0.000 0.982 356 R CB -0.328 29.998 30.300 0.044 0.000 0.868 356 R HN 0.654 nan 8.270 nan 0.000 0.453 357 L N 0.650 121.907 121.223 0.056 0.000 2.554 357 L HA -0.014 4.326 4.340 -0.000 0.000 0.226 357 L C 0.644 177.531 176.870 0.029 0.000 1.137 357 L CA -0.153 54.714 54.840 0.045 0.000 0.863 357 L CB -0.020 42.077 42.059 0.064 0.000 0.985 357 L HN 0.113 nan 8.230 nan 0.000 0.451 358 L N 1.435 122.683 121.223 0.042 0.000 2.382 358 L HA 0.179 4.519 4.340 -0.000 0.000 0.259 358 L C -0.562 176.390 176.870 0.138 0.000 1.291 358 L CA 0.514 55.387 54.840 0.055 0.000 1.176 358 L CB -0.608 41.479 42.059 0.048 0.000 1.373 358 L HN -0.017 nan 8.230 nan 0.000 0.426 359 D N 1.494 121.917 120.400 0.039 0.000 2.934 359 D HA 0.432 5.072 4.640 -0.000 0.000 0.230 359 D C 0.810 177.006 176.300 -0.173 0.000 1.204 359 D CA 0.101 54.040 54.000 -0.103 0.000 0.873 359 D CB 2.164 42.920 40.800 -0.074 0.000 1.645 359 D HN 0.246 nan 8.370 nan 0.000 0.502 360 A N 3.151 125.728 122.820 -0.404 0.000 1.948 360 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 360 A C 1.980 179.492 177.584 -0.119 0.000 1.177 360 A CA 2.252 54.135 52.037 -0.255 0.000 0.636 360 A CB -0.737 18.059 19.000 -0.339 0.000 0.815 360 A HN 0.672 nan 8.150 nan 0.000 0.449 361 A N -1.162 121.587 122.820 -0.117 0.000 2.121 361 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 361 A C 1.974 179.539 177.584 -0.032 0.000 1.154 361 A CA 1.650 53.649 52.037 -0.063 0.000 0.679 361 A CB -0.326 18.638 19.000 -0.060 0.000 0.795 361 A HN 0.399 nan 8.150 nan 0.000 0.458 362 V N -1.001 118.894 119.914 -0.031 0.000 2.690 362 V HA -0.049 4.071 4.120 -0.000 0.000 0.240 362 V C 2.196 178.302 176.094 0.021 0.000 1.078 362 V CA 1.426 63.725 62.300 -0.002 0.000 1.102 362 V CB 0.340 32.163 31.823 0.001 0.000 0.800 362 V HN 0.489 nan 8.190 nan 0.000 0.479 363 V N -1.780 118.141 119.914 0.012 0.000 3.660 363 V HA 0.755 4.874 4.120 -0.000 0.000 0.276 363 V C 0.810 176.973 176.094 0.115 0.000 1.317 363 V CA 0.299 62.642 62.300 0.071 0.000 1.097 363 V CB -0.493 31.283 31.823 -0.078 0.000 0.863 363 V HN 0.845 nan 8.190 nan 0.000 0.438 364 G N 0.172 109.008 108.800 0.061 0.000 2.663 364 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 364 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 364 G C -0.094 174.858 174.900 0.088 0.000 1.246 364 G CA 0.145 45.288 45.100 0.072 0.000 0.795 364 G HN 0.139 nan 8.290 nan 0.000 0.627 365 Q N -0.125 119.720 119.800 0.075 0.000 2.119 365 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 365 Q C 2.394 178.488 176.000 0.156 0.000 0.972 365 Q CA 1.968 57.831 55.803 0.101 0.000 0.847 365 Q CB -0.123 28.655 28.738 0.066 0.000 0.903 365 Q HN 0.847 nan 8.270 nan 0.000 0.433 366 E N -0.037 120.246 120.200 0.138 0.000 2.031 366 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 366 E C 1.981 178.698 176.600 0.196 0.000 0.994 366 E CA 1.105 57.591 56.400 0.143 0.000 0.800 366 E CB -0.167 29.603 29.700 0.118 0.000 0.752 366 E HN 0.526 nan 8.360 nan 0.000 0.447 367 H N -1.427 117.696 119.070 0.089 0.000 2.353 367 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 367 H C 2.160 177.537 175.328 0.082 0.000 1.090 367 H CA 1.448 57.539 56.048 0.071 0.000 1.327 367 H CB -0.083 29.716 29.762 0.062 0.000 1.383 367 H HN 0.273 nan 8.280 nan 0.000 0.508 368 Y N 1.742 122.034 120.300 -0.014 0.000 2.145 368 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 368 Y C 2.004 177.905 175.900 0.002 0.000 1.145 368 Y CA 2.007 60.062 58.100 -0.076 0.000 1.148 368 Y CB -0.320 38.097 38.460 -0.071 0.000 0.981 368 Y HN 0.296 nan 8.280 nan 0.000 0.507 369 D N -0.703 119.776 120.400 0.131 0.000 2.144 369 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 369 D C 2.400 178.704 176.300 0.006 0.000 0.984 369 D CA 1.491 55.527 54.000 0.059 0.000 0.834 369 D CB -0.417 40.450 40.800 0.111 0.000 0.955 369 D HN 0.293 nan 8.370 nan 0.000 0.465 370 V N 1.238 121.186 119.914 0.056 0.000 2.261 370 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 370 V C 2.512 178.606 176.094 -0.001 0.000 1.047 370 V CA 1.877 64.216 62.300 0.065 0.000 1.015 370 V CB -0.852 31.044 31.823 0.121 0.000 0.642 370 V HN 0.196 nan 8.190 nan 0.000 0.446 371 A N -0.408 122.388 122.820 -0.041 0.000 1.908 371 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 371 A C 2.484 179.959 177.584 -0.182 0.000 1.181 371 A CA 2.400 54.364 52.037 -0.121 0.000 0.627 371 A CB -0.817 18.092 19.000 -0.153 0.000 0.818 371 A HN 0.513 nan 8.150 nan 0.000 0.445 372 S N -0.307 115.217 115.700 -0.293 0.000 2.353 372 S HA -0.199 4.271 4.470 -0.000 0.000 0.222 372 S C 2.000 176.533 174.600 -0.113 0.000 1.035 372 S CA 1.844 59.889 58.200 -0.257 0.000 1.025 372 S CB -0.289 62.714 63.200 -0.327 0.000 0.902 372 S HN 0.632 nan 8.310 nan 0.000 0.440 373 K N 0.524 120.886 120.400 -0.064 0.000 2.097 373 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 373 K C 2.062 178.667 176.600 0.008 0.000 1.049 373 K CA 0.981 57.262 56.287 -0.011 0.000 0.933 373 K CB -0.365 32.147 32.500 0.020 0.000 0.717 373 K HN 0.130 nan 8.250 nan 0.000 0.442 374 V N 1.653 121.573 119.914 0.010 0.000 2.252 374 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 374 V C 2.229 178.328 176.094 0.008 0.000 1.056 374 V CA 1.852 64.171 62.300 0.030 0.000 1.022 374 V CB -0.467 31.355 31.823 -0.002 0.000 0.641 374 V HN 0.386 nan 8.190 nan 0.000 0.445 375 Q N -0.684 119.098 119.800 -0.030 0.000 2.124 375 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 375 Q C 2.304 178.298 176.000 -0.010 0.000 0.977 375 Q CA 1.807 57.594 55.803 -0.027 0.000 0.850 375 Q CB -0.173 28.530 28.738 -0.058 0.000 0.901 375 Q HN 0.698 nan 8.270 nan 0.000 0.429 376 E N -0.354 119.839 120.200 -0.013 0.000 2.051 376 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 376 E C 2.016 178.629 176.600 0.021 0.000 0.991 376 E CA 1.572 57.973 56.400 0.001 0.000 0.799 376 E CB 0.030 29.729 29.700 -0.001 0.000 0.748 376 E HN 0.303 nan 8.360 nan 0.000 0.449 377 T N 1.512 116.083 114.554 0.027 0.000 2.674 377 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 377 T C 1.977 176.719 174.700 0.070 0.000 1.039 377 T CA 0.964 63.088 62.100 0.039 0.000 1.150 377 T CB -0.278 68.611 68.868 0.034 0.000 0.864 377 T HN 0.077 nan 8.240 nan 0.000 0.427 378 L N 0.834 122.102 121.223 0.076 0.000 2.046 378 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 378 L C 2.890 179.822 176.870 0.103 0.000 1.077 378 L CA 1.193 56.104 54.840 0.118 0.000 0.747 378 L CB -0.543 41.569 42.059 0.089 0.000 0.896 378 L HN 0.217 nan 8.230 nan 0.000 0.432 379 Q N 0.044 119.875 119.800 0.051 0.000 2.084 379 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 379 Q C 2.068 178.090 176.000 0.037 0.000 0.978 379 Q CA 2.468 58.286 55.803 0.025 0.000 0.844 379 Q CB -0.465 28.276 28.738 0.005 0.000 0.898 379 Q HN 0.406 nan 8.270 nan 0.000 0.426 380 T N -0.066 114.523 114.554 0.059 0.000 2.746 380 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 380 T C 1.290 176.058 174.700 0.113 0.000 1.039 380 T CA 1.363 63.502 62.100 0.065 0.000 1.142 380 T CB -0.627 68.276 68.868 0.057 0.000 0.866 380 T HN 0.386 nan 8.240 nan 0.000 0.444 381 Y N 2.184 122.479 120.300 -0.009 0.000 2.181 381 Y HA -0.075 4.475 4.550 -0.000 0.000 0.288 381 Y C 2.390 178.284 175.900 -0.011 0.000 1.146 381 Y CA 1.138 59.232 58.100 -0.009 0.000 1.164 381 Y CB -0.368 38.087 38.460 -0.008 0.000 0.982 381 Y HN 0.054 nan 8.280 nan 0.000 0.515 382 K N -0.702 119.638 120.400 -0.100 0.000 2.057 382 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 382 K C 2.224 178.745 176.600 -0.131 0.000 1.049 382 K CA 1.485 57.658 56.287 -0.190 0.000 0.931 382 K CB -0.256 32.184 32.500 -0.100 0.000 0.714 382 K HN 0.218 nan 8.250 nan 0.000 0.440 383 S N 0.833 116.497 115.700 -0.060 0.000 2.465 383 S HA -0.054 4.416 4.470 -0.000 0.000 0.241 383 S C 1.416 175.993 174.600 -0.040 0.000 1.000 383 S CA 0.826 59.001 58.200 -0.041 0.000 0.964 383 S CB -0.026 63.165 63.200 -0.015 0.000 0.763 383 S HN 0.276 nan 8.310 nan 0.000 0.512 384 L N 0.660 121.857 121.223 -0.044 0.000 2.640 384 L HA 0.146 4.486 4.340 -0.000 0.000 0.230 384 L C 2.013 178.846 176.870 -0.062 0.000 1.123 384 L CA -0.111 54.715 54.840 -0.022 0.000 0.900 384 L CB -0.137 41.948 42.059 0.044 0.000 1.146 384 L HN 0.071 nan 8.230 nan 0.000 0.484 385 Q N 0.773 120.486 119.800 -0.145 0.000 2.082 385 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 385 Q C 1.438 177.389 176.000 -0.081 0.000 1.002 385 Q CA 2.026 57.731 55.803 -0.163 0.000 0.868 385 Q CB -0.355 28.270 28.738 -0.188 0.000 0.931 385 Q HN 0.490 nan 8.270 nan 0.000 0.414 386 D N 0.151 120.515 120.400 -0.061 0.000 2.087 386 D HA -0.112 4.528 4.640 -0.000 0.000 0.192 386 D C 2.185 178.472 176.300 -0.023 0.000 0.993 386 D CA 0.942 54.919 54.000 -0.038 0.000 0.828 386 D CB -0.454 40.326 40.800 -0.032 0.000 0.968 386 D HN 0.251 nan 8.370 nan 0.000 0.448 387 I N 0.951 121.511 120.570 -0.016 0.000 2.194 387 I HA -0.259 3.911 4.170 -0.000 0.000 0.246 387 I C 2.220 178.339 176.117 0.004 0.000 1.093 387 I CA 0.612 61.910 61.300 -0.004 0.000 1.355 387 I CB -0.194 37.808 38.000 0.002 0.000 1.046 387 I HN 0.013 nan 8.210 nan 0.000 0.413 388 I N 1.117 121.691 120.570 0.007 0.000 2.142 388 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 388 I C 2.871 178.996 176.117 0.013 0.000 1.078 388 I CA 1.902 63.216 61.300 0.023 0.000 1.343 388 I CB -1.774 36.254 38.000 0.047 0.000 1.046 388 I HN 0.198 nan 8.210 nan 0.000 0.405 389 A N 0.958 123.776 122.820 -0.003 0.000 1.933 389 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 389 A C 2.251 179.834 177.584 -0.001 0.000 1.175 389 A CA 1.352 53.386 52.037 -0.004 0.000 0.628 389 A CB -0.479 18.511 19.000 -0.017 0.000 0.814 389 A HN 0.314 nan 8.150 nan 0.000 0.444 390 I N -0.843 119.726 120.570 -0.003 0.000 2.206 390 I HA -0.081 4.089 4.170 -0.000 0.000 0.239 390 I C 2.318 178.436 176.117 0.003 0.000 1.078 390 I CA 1.215 62.514 61.300 -0.001 0.000 1.367 390 I CB -1.277 36.721 38.000 -0.004 0.000 1.078 390 I HN 0.251 nan 8.210 nan 0.000 0.413 391 L N -0.369 120.856 121.223 0.005 0.000 2.463 391 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 391 L C 1.028 177.904 176.870 0.010 0.000 1.088 391 L CA 0.419 55.263 54.840 0.007 0.000 0.849 391 L CB -0.109 41.954 42.059 0.006 0.000 1.012 391 L HN 0.488 nan 8.230 nan 0.000 0.468 392 G N -0.705 108.104 108.800 0.015 0.000 2.712 392 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.683 392 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.683 392 G C 0.231 175.145 174.900 0.023 0.000 1.320 392 G CA -0.295 44.817 45.100 0.019 0.000 0.847 392 G HN -0.141 nan 8.290 nan 0.000 0.553 393 M N 0.091 119.706 119.600 0.025 0.000 2.374 393 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 393 M C 1.885 178.195 176.300 0.016 0.000 1.067 393 M CA 1.777 57.092 55.300 0.024 0.000 1.103 393 M CB -1.005 31.606 32.600 0.019 0.000 1.402 393 M HN 0.601 nan 8.290 nan 0.000 0.444 394 D N 0.618 121.026 120.400 0.013 0.000 2.178 394 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 394 D C 1.648 177.953 176.300 0.009 0.000 0.980 394 D CA 1.008 55.013 54.000 0.009 0.000 0.842 394 D CB -0.017 40.788 40.800 0.007 0.000 0.948 394 D HN 0.310 nan 8.370 nan 0.000 0.472 395 E N 0.020 120.227 120.200 0.011 0.000 2.489 395 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 395 E C 0.748 177.355 176.600 0.011 0.000 1.057 395 E CA -0.113 56.293 56.400 0.009 0.000 0.866 395 E CB 0.205 29.910 29.700 0.009 0.000 0.916 395 E HN 0.356 nan 8.360 nan 0.000 0.500 396 L N 1.399 122.631 121.223 0.014 0.000 2.436 396 L HA 0.078 4.417 4.340 -0.000 0.000 0.265 396 L C 1.131 178.008 176.870 0.011 0.000 1.168 396 L CA -0.369 54.480 54.840 0.016 0.000 0.815 396 L CB 0.549 42.621 42.059 0.021 0.000 1.109 396 L HN -0.043 nan 8.230 nan 0.000 0.462 397 S N 0.481 116.187 115.700 0.011 0.000 2.608 397 S HA 0.106 4.576 4.470 -0.000 0.000 0.261 397 S C 0.873 175.477 174.600 0.006 0.000 1.314 397 S CA -0.635 57.570 58.200 0.008 0.000 0.992 397 S CB 1.042 64.246 63.200 0.008 0.000 0.935 397 S HN 0.598 nan 8.310 nan 0.000 0.564 398 E N 0.955 121.157 120.200 0.004 0.000 2.051 398 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 398 E C 2.214 178.814 176.600 0.001 0.000 0.991 398 E CA 1.515 57.916 56.400 0.002 0.000 0.799 398 E CB -0.625 29.076 29.700 0.001 0.000 0.748 398 E HN 0.762 nan 8.360 nan 0.000 0.449 399 Q N 0.488 120.289 119.800 0.003 0.000 2.077 399 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 399 Q C 1.851 177.854 176.000 0.004 0.000 0.989 399 Q CA 1.505 57.310 55.803 0.003 0.000 0.853 399 Q CB -0.082 28.659 28.738 0.006 0.000 0.907 399 Q HN 0.252 nan 8.270 nan 0.000 0.418 400 D N 0.280 120.685 120.400 0.009 0.000 2.117 400 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 400 D C 1.682 177.988 176.300 0.009 0.000 0.982 400 D CA 0.965 54.974 54.000 0.016 0.000 0.828 400 D CB -0.087 40.727 40.800 0.023 0.000 0.967 400 D HN 0.136 nan 8.370 nan 0.000 0.464 401 K N 0.206 120.608 120.400 0.003 0.000 2.063 401 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 401 K C 2.137 178.723 176.600 -0.023 0.000 1.048 401 K CA 0.710 56.993 56.287 -0.007 0.000 0.928 401 K CB -0.176 32.321 32.500 -0.005 0.000 0.713 401 K HN -0.028 nan 8.250 nan 0.000 0.442 402 L N 0.832 122.044 121.223 -0.019 0.000 1.994 402 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 402 L C 2.101 178.947 176.870 -0.040 0.000 1.071 402 L CA 1.980 56.804 54.840 -0.027 0.000 0.745 402 L CB -0.812 41.237 42.059 -0.016 0.000 0.892 402 L HN 0.205 nan 8.230 nan 0.000 0.431 403 T N -1.233 113.304 114.554 -0.027 0.000 2.635 403 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 403 T C 1.940 176.596 174.700 -0.074 0.000 1.040 403 T CA 1.841 63.923 62.100 -0.030 0.000 1.156 403 T CB -0.519 68.350 68.868 0.002 0.000 0.863 403 T HN 0.185 nan 8.240 nan 0.000 0.430 404 V N 1.244 121.111 119.914 -0.078 0.000 2.343 404 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 404 V C 2.518 178.431 176.094 -0.301 0.000 1.051 404 V CA 1.743 63.924 62.300 -0.198 0.000 1.036 404 V CB -0.601 31.177 31.823 -0.076 0.000 0.654 404 V HN 0.530 nan 8.190 nan 0.000 0.451 405 E N -0.417 119.678 120.200 -0.175 0.000 2.085 405 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 405 E C 2.459 178.944 176.600 -0.192 0.000 0.994 405 E CA 1.359 57.662 56.400 -0.161 0.000 0.801 405 E CB -0.158 29.488 29.700 -0.090 0.000 0.743 405 E HN 0.409 nan 8.360 nan 0.000 0.453 406 R N -0.008 120.392 120.500 -0.167 0.000 2.090 406 R HA -0.046 4.294 4.340 -0.000 0.000 0.228 406 R C 2.179 178.358 176.300 -0.201 0.000 1.110 406 R CA 0.991 56.989 56.100 -0.170 0.000 0.973 406 R CB -0.057 30.185 30.300 -0.097 0.000 0.869 406 R HN 0.120 nan 8.270 nan 0.000 0.440 407 A N 0.840 123.528 122.820 -0.220 0.000 1.898 407 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 407 A C 2.036 179.457 177.584 -0.272 0.000 1.181 407 A CA 1.164 53.071 52.037 -0.216 0.000 0.620 407 A CB -0.329 18.518 19.000 -0.255 0.000 0.819 407 A HN 0.282 nan 8.150 nan 0.000 0.442 408 R N -0.299 119.954 120.500 -0.412 0.000 2.152 408 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 408 R C 2.055 178.240 176.300 -0.192 0.000 1.117 408 R CA 1.521 57.445 56.100 -0.293 0.000 0.981 408 R CB -0.171 29.954 30.300 -0.293 0.000 0.870 408 R HN 0.525 nan 8.270 nan 0.000 0.451 409 K N 0.478 120.695 120.400 -0.305 0.000 2.005 409 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 409 K C 2.029 178.406 176.600 -0.373 0.000 1.044 409 K CA 1.023 56.982 56.287 -0.546 0.000 0.942 409 K CB -0.111 31.757 32.500 -1.055 0.000 0.727 409 K HN 0.024 nan 8.250 nan 0.000 0.439 410 I N 1.800 122.239 120.570 -0.219 0.000 2.145 410 I HA -0.397 3.773 4.170 -0.000 0.000 0.244 410 I C 2.871 179.113 176.117 0.209 0.000 1.075 410 I CA 1.516 62.870 61.300 0.091 0.000 1.332 410 I CB -0.228 37.858 38.000 0.144 0.000 1.033 410 I HN 0.329 nan 8.210 nan 0.000 0.410 411 Q N 0.887 120.751 119.800 0.106 0.000 2.084 411 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 411 Q C 2.337 178.437 176.000 0.167 0.000 0.978 411 Q CA 1.551 57.435 55.803 0.134 0.000 0.844 411 Q CB 0.005 28.812 28.738 0.114 0.000 0.898 411 Q HN 0.441 nan 8.270 nan 0.000 0.426 412 R N -0.783 119.813 120.500 0.160 0.000 2.115 412 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 412 R C 1.936 178.443 176.300 0.344 0.000 1.100 412 R CA 0.919 57.176 56.100 0.261 0.000 0.980 412 R CB -0.147 30.304 30.300 0.251 0.000 0.875 412 R HN 0.245 nan 8.270 nan 0.000 0.445 413 F N 0.912 120.938 119.950 0.126 0.000 2.661 413 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 413 F C 1.367 177.322 175.800 0.257 0.000 1.137 413 F CA 0.643 58.721 58.000 0.129 0.000 1.454 413 F CB 0.058 39.004 39.000 -0.091 0.000 1.103 413 F HN -0.080 nan 8.300 nan 0.000 0.577 414 L N -0.571 120.837 121.223 0.310 0.000 2.446 414 L HA 0.037 4.377 4.340 -0.000 0.000 0.219 414 L C 1.436 178.355 176.870 0.083 0.000 1.116 414 L CA 0.296 55.245 54.840 0.182 0.000 0.844 414 L CB -0.683 41.461 42.059 0.143 0.000 0.970 414 L HN 0.053 nan 8.230 nan 0.000 0.457 415 S N 0.084 115.835 115.700 0.085 0.000 2.573 415 S HA 0.183 4.653 4.470 -0.000 0.000 0.277 415 S C -0.279 174.272 174.600 -0.082 0.000 1.346 415 S CA -0.341 57.847 58.200 -0.019 0.000 1.034 415 S CB 1.414 64.585 63.200 -0.048 0.000 0.879 415 S HN 0.308 nan 8.310 nan 0.000 0.528 416 Q N 1.343 121.037 119.800 -0.177 0.000 2.295 416 Q HA 0.413 4.753 4.340 -0.000 0.000 0.268 416 Q C -3.013 172.845 176.000 -0.237 0.000 1.010 416 Q CA -2.239 53.470 55.803 -0.157 0.000 0.856 416 Q CB 2.264 30.966 28.738 -0.059 0.000 1.349 416 Q HN 0.519 nan 8.270 nan 0.000 0.412 417 P HA 0.143 nan 4.420 nan 0.000 0.271 417 P C -1.067 176.319 177.300 0.142 0.000 1.226 417 P CA 0.096 63.168 63.100 -0.046 0.000 0.765 417 P CB 0.246 31.933 31.700 -0.022 0.000 0.835 418 F N 1.458 121.387 119.950 -0.036 0.000 2.425 418 F HA 0.430 4.957 4.527 -0.000 0.000 0.331 418 F C 1.670 177.451 175.800 -0.032 0.000 1.085 418 F CA -1.578 56.393 58.000 -0.049 0.000 1.028 418 F CB 0.785 39.750 39.000 -0.059 0.000 1.177 418 F HN 0.351 nan 8.300 nan 0.000 0.487 419 A N 2.242 125.131 122.820 0.114 0.000 1.898 419 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 419 A C 2.019 179.630 177.584 0.045 0.000 1.181 419 A CA 1.789 53.850 52.037 0.039 0.000 0.620 419 A CB -0.837 18.151 19.000 -0.021 0.000 0.819 419 A HN 0.524 nan 8.150 nan 0.000 0.442 420 V N -0.561 119.381 119.914 0.047 0.000 2.626 420 V HA -0.092 4.028 4.120 -0.000 0.000 0.252 420 V C 2.434 178.614 176.094 0.144 0.000 1.067 420 V CA 1.559 63.896 62.300 0.063 0.000 1.081 420 V CB -0.785 31.057 31.823 0.031 0.000 0.686 420 V HN 0.571 nan 8.190 nan 0.000 0.468 421 A N -0.732 122.211 122.820 0.204 0.000 2.370 421 A HA 0.120 4.440 4.320 -0.000 0.000 0.238 421 A C 1.888 179.586 177.584 0.189 0.000 1.289 421 A CA 0.291 52.491 52.037 0.273 0.000 0.885 421 A CB -0.421 18.700 19.000 0.201 0.000 0.961 421 A HN 0.545 nan 8.150 nan 0.000 0.499 422 E N -0.171 120.083 120.200 0.089 0.000 2.118 422 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 422 E C 1.527 178.101 176.600 -0.044 0.000 0.992 422 E CA 1.729 58.142 56.400 0.023 0.000 0.804 422 E CB -0.085 29.616 29.700 0.001 0.000 0.741 422 E HN 0.432 nan 8.360 nan 0.000 0.458 423 V N 0.075 119.898 119.914 -0.152 0.000 2.515 423 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 423 V C 1.738 177.592 176.094 -0.399 0.000 1.058 423 V CA 1.529 63.620 62.300 -0.349 0.000 1.064 423 V CB -0.583 30.891 31.823 -0.582 0.000 0.675 423 V HN 0.256 nan 8.190 nan 0.000 0.461 424 F N 1.110 121.042 119.950 -0.030 0.000 2.387 424 F HA -0.014 4.513 4.527 -0.000 0.000 0.294 424 F C 2.652 178.434 175.800 -0.030 0.000 1.093 424 F CA 1.284 59.257 58.000 -0.044 0.000 1.420 424 F CB -1.019 37.920 39.000 -0.102 0.000 1.086 424 F HN 0.237 nan 8.300 nan 0.000 0.531 425 T N -3.510 111.120 114.554 0.126 0.000 3.009 425 T HA 0.307 4.657 4.350 -0.000 0.000 0.258 425 T C 1.995 176.730 174.700 0.058 0.000 1.063 425 T CA 0.743 62.890 62.100 0.079 0.000 1.139 425 T CB -0.296 68.591 68.868 0.031 0.000 0.890 425 T HN 0.418 nan 8.240 nan 0.000 0.471 426 G N 1.574 110.390 108.800 0.027 0.000 2.162 426 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 426 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 426 G C -0.001 174.907 174.900 0.013 0.000 0.976 426 G CA 0.351 45.459 45.100 0.012 0.000 0.655 426 G HN 0.711 nan 8.290 nan 0.000 0.533 427 I N 0.620 121.199 120.570 0.014 0.000 2.530 427 I HA 0.416 4.586 4.170 -0.000 0.000 0.297 427 I C -2.133 173.989 176.117 0.008 0.000 1.011 427 I CA -2.823 58.482 61.300 0.009 0.000 1.107 427 I CB 1.978 39.980 38.000 0.003 0.000 1.285 427 I HN -0.222 nan 8.210 nan 0.000 0.436 428 P HA -0.016 nan 4.420 nan 0.000 0.266 428 P C 0.081 177.392 177.300 0.017 0.000 1.186 428 P CA 0.051 63.156 63.100 0.007 0.000 0.767 428 P CB 0.358 32.059 31.700 0.002 0.000 0.820 429 G N 2.419 111.235 108.800 0.027 0.000 2.503 429 G HA2 0.375 4.335 3.960 -0.000 0.000 0.257 429 G HA3 0.375 4.335 3.960 -0.000 0.000 0.257 429 G C -0.645 174.278 174.900 0.038 0.000 1.214 429 G CA -0.415 44.716 45.100 0.052 0.000 0.839 429 G HN 0.275 nan 8.290 nan 0.000 0.559 430 K N 0.567 121.002 120.400 0.058 0.000 2.371 430 K HA 0.402 4.722 4.320 -0.000 0.000 0.251 430 K C -1.268 175.356 176.600 0.041 0.000 0.934 430 K CA -0.711 55.599 56.287 0.038 0.000 0.798 430 K CB 2.817 35.336 32.500 0.031 0.000 1.204 430 K HN 0.393 nan 8.250 nan 0.000 0.427 431 L N 2.611 123.841 121.223 0.011 0.000 2.319 431 L HA 0.389 4.729 4.340 -0.000 0.000 0.281 431 L C -1.153 175.715 176.870 -0.003 0.000 1.005 431 L CA -0.856 53.980 54.840 -0.006 0.000 0.828 431 L CB 1.335 43.377 42.059 -0.028 0.000 1.227 431 L HN 0.243 nan 8.230 nan 0.000 0.415 432 V N 5.124 125.036 119.914 -0.003 0.000 2.394 432 V HA 0.474 4.594 4.120 -0.000 0.000 0.282 432 V C 0.422 176.505 176.094 -0.018 0.000 1.031 432 V CA -0.732 61.564 62.300 -0.007 0.000 0.881 432 V CB 1.294 33.111 31.823 -0.010 0.000 0.982 432 V HN 0.763 nan 8.190 nan 0.000 0.451 433 R N 2.263 122.755 120.500 -0.014 0.000 2.641 433 R HA 0.222 4.562 4.340 -0.000 0.000 0.269 433 R C 1.305 177.586 176.300 -0.032 0.000 1.074 433 R CA -0.435 55.654 56.100 -0.019 0.000 1.133 433 R CB 0.697 30.991 30.300 -0.010 0.000 1.029 433 R HN 0.716 nan 8.270 nan 0.000 0.488 434 L N 2.870 124.068 121.223 -0.042 0.000 2.012 434 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 434 L C 1.979 178.793 176.870 -0.093 0.000 1.073 434 L CA 1.891 56.684 54.840 -0.079 0.000 0.748 434 L CB -0.127 41.894 42.059 -0.064 0.000 0.891 434 L HN 0.559 nan 8.230 nan 0.000 0.431 435 K N -0.557 119.812 120.400 -0.052 0.000 2.063 435 K HA -0.237 4.082 4.320 -0.000 0.000 0.208 435 K C 1.891 178.482 176.600 -0.015 0.000 1.048 435 K CA 1.586 57.852 56.287 -0.035 0.000 0.928 435 K CB -0.409 32.086 32.500 -0.008 0.000 0.713 435 K HN 0.406 nan 8.250 nan 0.000 0.442 436 D N 0.533 120.931 120.400 -0.003 0.000 2.127 436 D HA -0.163 4.477 4.640 -0.000 0.000 0.190 436 D C 1.634 177.958 176.300 0.040 0.000 1.000 436 D CA 1.827 55.839 54.000 0.021 0.000 0.839 436 D CB -0.249 40.562 40.800 0.017 0.000 0.955 436 D HN 0.095 nan 8.370 nan 0.000 0.446 437 T N -0.181 114.380 114.554 0.011 0.000 2.759 437 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 437 T C 2.142 176.911 174.700 0.115 0.000 1.042 437 T CA 1.234 63.366 62.100 0.054 0.000 1.140 437 T CB -0.373 68.463 68.868 -0.054 0.000 0.864 437 T HN 0.009 nan 8.240 nan 0.000 0.455 438 V N 1.424 121.328 119.914 -0.017 0.000 2.358 438 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 438 V C 2.861 179.017 176.094 0.103 0.000 1.047 438 V CA 1.580 63.868 62.300 -0.020 0.000 1.035 438 V CB -1.093 30.648 31.823 -0.137 0.000 0.658 438 V HN 0.535 nan 8.190 nan 0.000 0.452 439 A N -0.749 122.128 122.820 0.094 0.000 1.930 439 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 439 A C 2.491 180.174 177.584 0.165 0.000 1.175 439 A CA 2.019 54.126 52.037 0.117 0.000 0.627 439 A CB -0.602 18.450 19.000 0.086 0.000 0.815 439 A HN 0.475 nan 8.150 nan 0.000 0.443 440 S N -0.828 114.986 115.700 0.191 0.000 2.356 440 S HA -0.101 4.369 4.470 -0.000 0.000 0.223 440 S C 1.579 176.331 174.600 0.253 0.000 1.032 440 S CA 1.548 59.880 58.200 0.220 0.000 1.005 440 S CB -0.485 62.880 63.200 0.275 0.000 0.867 440 S HN 0.553 nan 8.310 nan 0.000 0.449 441 F N 1.651 121.731 119.950 0.216 0.000 2.259 441 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 441 F C 2.227 178.119 175.800 0.154 0.000 1.088 441 F CA 0.768 58.893 58.000 0.208 0.000 1.358 441 F CB -0.255 38.807 39.000 0.102 0.000 1.040 441 F HN 0.081 nan 8.300 nan 0.000 0.505 442 K N 0.584 121.155 120.400 0.285 0.000 2.009 442 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 442 K C 2.318 179.025 176.600 0.179 0.000 1.049 442 K CA 1.359 57.763 56.287 0.196 0.000 0.929 442 K CB -0.353 32.238 32.500 0.152 0.000 0.714 442 K HN 0.193 nan 8.250 nan 0.000 0.440 443 A N 0.573 123.513 122.820 0.200 0.000 1.908 443 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 443 A C 2.231 179.978 177.584 0.272 0.000 1.181 443 A CA 1.827 54.010 52.037 0.244 0.000 0.627 443 A CB -0.690 18.529 19.000 0.364 0.000 0.818 443 A HN 0.195 nan 8.150 nan 0.000 0.445 444 V N -0.013 120.046 119.914 0.241 0.000 2.407 444 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 444 V C 2.469 178.638 176.094 0.124 0.000 1.055 444 V CA 1.835 64.247 62.300 0.186 0.000 1.049 444 V CB -0.740 31.099 31.823 0.027 0.000 0.662 444 V HN 0.565 nan 8.190 nan 0.000 0.455 445 L N -0.389 120.914 121.223 0.134 0.000 2.275 445 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 445 L C 2.258 179.173 176.870 0.075 0.000 1.119 445 L CA 1.215 56.115 54.840 0.100 0.000 0.790 445 L CB -0.399 41.729 42.059 0.116 0.000 0.919 445 L HN 0.392 nan 8.230 nan 0.000 0.443 446 E N -0.133 120.117 120.200 0.084 0.000 2.502 446 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 446 E C 1.151 177.768 176.600 0.029 0.000 1.062 446 E CA 0.408 56.840 56.400 0.053 0.000 0.867 446 E CB 0.169 29.901 29.700 0.054 0.000 0.888 446 E HN 0.473 nan 8.360 nan 0.000 0.510 447 G N 2.022 110.846 108.800 0.039 0.000 2.198 447 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 447 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 447 G C 0.631 175.511 174.900 -0.034 0.000 1.042 447 G CA 0.548 45.657 45.100 0.014 0.000 0.791 447 G HN 0.254 nan 8.290 nan 0.000 0.502 448 K N -1.225 119.135 120.400 -0.068 0.000 2.426 448 K HA 0.208 4.528 4.320 -0.000 0.000 0.193 448 K C 0.504 176.726 176.600 -0.631 0.000 1.028 448 K CA 0.644 56.737 56.287 -0.325 0.000 1.047 448 K CB 0.215 32.479 32.500 -0.393 0.000 0.821 448 K HN 0.574 nan 8.250 nan 0.000 0.513 449 Y N -0.321 119.996 120.300 0.029 0.000 2.698 449 Y HA 0.141 4.691 4.550 -0.000 0.000 0.261 449 Y C 0.380 176.335 175.900 0.091 0.000 1.104 449 Y CA -0.660 57.478 58.100 0.063 0.000 1.145 449 Y CB 0.523 39.052 38.460 0.115 0.000 1.191 449 Y HN -0.043 nan 8.280 nan 0.000 0.564 450 D N 0.464 120.921 120.400 0.095 0.000 2.269 450 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 450 D C 1.393 177.729 176.300 0.060 0.000 0.963 450 D CA 1.006 55.042 54.000 0.060 0.000 0.864 450 D CB 0.020 40.826 40.800 0.011 0.000 0.936 450 D HN 0.491 nan 8.370 nan 0.000 0.505 451 N N 0.442 119.172 118.700 0.051 0.000 2.336 451 N HA -0.034 4.706 4.740 -0.000 0.000 0.189 451 N C 0.404 175.951 175.510 0.062 0.000 1.113 451 N CA -0.028 53.044 53.050 0.037 0.000 0.858 451 N CB 0.343 38.834 38.487 0.006 0.000 0.970 451 N HN 0.171 nan 8.380 nan 0.000 0.471 452 I N 1.729 122.370 120.570 0.120 0.000 2.353 452 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 452 I C -2.127 174.088 176.117 0.163 0.000 0.992 452 I CA -2.261 59.106 61.300 0.111 0.000 1.268 452 I CB 1.485 39.530 38.000 0.074 0.000 1.387 452 I HN -0.217 nan 8.210 nan 0.000 0.478 453 P HA 0.066 nan 4.420 nan 0.000 0.269 453 P C 0.266 177.692 177.300 0.211 0.000 1.209 453 P CA -0.157 63.016 63.100 0.121 0.000 0.776 453 P CB 0.559 32.306 31.700 0.077 0.000 0.876 454 E N 0.747 121.069 120.200 0.204 0.000 2.097 454 E HA -0.304 4.046 4.350 -0.000 0.000 0.196 454 E C 1.682 178.454 176.600 0.286 0.000 1.000 454 E CA 1.166 57.715 56.400 0.248 0.000 0.804 454 E CB -0.409 29.357 29.700 0.110 0.000 0.740 454 E HN 0.616 nan 8.360 nan 0.000 0.454 455 H N 0.184 119.326 119.070 0.120 0.000 2.457 455 H HA -0.040 4.516 4.556 -0.000 0.000 0.297 455 H C 1.916 177.321 175.328 0.127 0.000 1.092 455 H CA 1.239 57.352 56.048 0.109 0.000 1.309 455 H CB 0.186 29.980 29.762 0.052 0.000 1.382 455 H HN 0.175 nan 8.280 nan 0.000 0.535 456 A N -0.013 122.869 122.820 0.104 0.000 2.067 456 A HA -0.103 4.216 4.320 -0.000 0.000 0.219 456 A C 1.872 179.314 177.584 -0.236 0.000 1.158 456 A CA 0.709 52.687 52.037 -0.099 0.000 0.661 456 A CB -0.821 18.032 19.000 -0.244 0.000 0.801 456 A HN 0.320 nan 8.150 nan 0.000 0.452 457 F N -2.293 117.614 119.950 -0.071 0.000 2.710 457 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 457 F C 0.799 176.645 175.800 0.076 0.000 1.137 457 F CA 0.057 57.995 58.000 -0.103 0.000 1.444 457 F CB -0.195 38.717 39.000 -0.148 0.000 1.111 457 F HN 0.298 nan 8.300 nan 0.000 0.580 458 Y N 1.036 121.359 120.300 0.038 0.000 2.335 458 Y HA 0.326 4.876 4.550 -0.000 0.000 0.331 458 Y C 0.714 176.598 175.900 -0.027 0.000 1.094 458 Y CA -1.679 56.404 58.100 -0.028 0.000 1.253 458 Y CB 0.459 38.781 38.460 -0.229 0.000 1.203 458 Y HN 0.134 nan 8.280 nan 0.000 0.508 459 M N 4.884 124.136 119.600 -0.579 0.000 2.298 459 M HA -0.163 4.316 4.480 -0.000 0.000 0.196 459 M C -1.631 174.548 176.300 -0.202 0.000 0.531 459 M CA 1.270 56.248 55.300 -0.536 0.000 0.459 459 M CB -1.454 30.636 32.600 -0.851 0.000 1.279 459 M HN 0.477 nan 8.290 nan 0.000 0.915 460 V N -3.207 116.664 119.914 -0.072 0.000 3.105 460 V HA 1.098 5.218 4.120 -0.000 0.000 0.311 460 V C 0.876 176.994 176.094 0.041 0.000 1.287 460 V CA -0.377 61.921 62.300 -0.004 0.000 1.066 460 V CB 1.178 33.007 31.823 0.010 0.000 1.105 460 V HN 0.439 nan 8.190 nan 0.000 0.462 461 G N -0.376 108.454 108.800 0.051 0.000 3.152 461 G HA2 0.557 4.517 3.960 -0.000 0.000 0.157 461 G HA3 0.557 4.517 3.960 -0.000 0.000 0.157 461 G C 0.504 175.466 174.900 0.105 0.000 1.786 461 G CA -0.015 45.116 45.100 0.051 0.000 1.055 461 G HN 1.393 nan 8.290 nan 0.000 0.528 462 G N -1.144 107.712 108.800 0.093 0.000 2.509 462 G HA2 0.338 4.298 3.960 -0.000 0.000 0.269 462 G HA3 0.338 4.298 3.960 -0.000 0.000 0.269 462 G C 0.875 175.907 174.900 0.220 0.000 1.416 462 G CA 0.043 45.245 45.100 0.170 0.000 1.052 462 G HN 0.424 nan 8.290 nan 0.000 0.542 463 I N -0.924 119.741 120.570 0.158 0.000 2.614 463 I HA -0.001 4.169 4.170 -0.000 0.000 0.258 463 I C 2.158 178.135 176.117 -0.233 0.000 1.189 463 I CA 1.382 62.619 61.300 -0.105 0.000 1.462 463 I CB -0.003 37.881 38.000 -0.193 0.000 1.092 463 I HN 0.567 nan 8.210 nan 0.000 0.442 464 E N -0.104 120.038 120.200 -0.096 0.000 2.447 464 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 464 E C 1.585 178.138 176.600 -0.080 0.000 1.028 464 E CA 0.433 56.781 56.400 -0.087 0.000 0.876 464 E CB -0.069 29.612 29.700 -0.031 0.000 0.885 464 E HN 0.389 nan 8.360 nan 0.000 0.500 465 D N -0.364 119.999 120.400 -0.062 0.000 2.097 465 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 465 D C 1.817 178.036 176.300 -0.136 0.000 0.989 465 D CA 1.188 55.150 54.000 -0.063 0.000 0.827 465 D CB -0.221 40.571 40.800 -0.014 0.000 0.966 465 D HN 0.078 nan 8.370 nan 0.000 0.456 466 V N 0.606 120.375 119.914 -0.242 0.000 2.219 466 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 466 V C 2.652 178.534 176.094 -0.354 0.000 1.053 466 V CA 1.457 63.482 62.300 -0.459 0.000 1.009 466 V CB -0.689 30.599 31.823 -0.892 0.000 0.636 466 V HN 0.076 nan 8.190 nan 0.000 0.445 467 V N 0.187 119.926 119.914 -0.292 0.000 2.324 467 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 467 V C 2.640 178.671 176.094 -0.105 0.000 1.060 467 V CA 2.246 64.451 62.300 -0.158 0.000 1.042 467 V CB -1.226 30.553 31.823 -0.073 0.000 0.650 467 V HN 0.601 nan 8.190 nan 0.000 0.450 468 A N -0.784 121.980 122.820 -0.094 0.000 1.930 468 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 468 A C 2.353 179.903 177.584 -0.057 0.000 1.175 468 A CA 1.908 53.910 52.037 -0.059 0.000 0.627 468 A CB -0.416 18.557 19.000 -0.044 0.000 0.815 468 A HN 0.509 nan 8.150 nan 0.000 0.443 469 K N -0.379 119.973 120.400 -0.080 0.000 2.155 469 K HA -0.004 4.315 4.320 -0.000 0.000 0.203 469 K C 2.145 178.716 176.600 -0.049 0.000 1.052 469 K CA 0.921 57.175 56.287 -0.054 0.000 0.948 469 K CB -0.250 32.213 32.500 -0.061 0.000 0.728 469 K HN 0.386 nan 8.250 nan 0.000 0.448 470 A N 1.464 124.229 122.820 -0.091 0.000 1.902 470 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 470 A C 1.796 179.358 177.584 -0.036 0.000 1.181 470 A CA 1.590 53.586 52.037 -0.069 0.000 0.623 470 A CB -0.406 18.535 19.000 -0.099 0.000 0.818 470 A HN 0.401 nan 8.150 nan 0.000 0.443 471 E N -0.598 119.581 120.200 -0.035 0.000 2.077 471 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 471 E C 2.082 178.674 176.600 -0.014 0.000 0.989 471 E CA 1.407 57.795 56.400 -0.021 0.000 0.800 471 E CB -0.120 29.568 29.700 -0.020 0.000 0.746 471 E HN 0.569 nan 8.360 nan 0.000 0.452 472 K N 0.852 121.244 120.400 -0.013 0.000 2.057 472 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 472 K C 2.021 178.620 176.600 -0.001 0.000 1.049 472 K CA 0.868 57.153 56.287 -0.004 0.000 0.931 472 K CB -0.025 32.476 32.500 0.002 0.000 0.714 472 K HN 0.033 nan 8.250 nan 0.000 0.440 473 L N -0.319 120.904 121.223 0.001 0.000 2.156 473 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 473 L C 2.274 179.140 176.870 -0.007 0.000 1.095 473 L CA 0.902 55.742 54.840 -0.001 0.000 0.770 473 L CB -0.407 41.655 42.059 0.006 0.000 0.914 473 L HN 0.205 nan 8.230 nan 0.000 0.439 474 A N 0.036 122.852 122.820 -0.007 0.000 2.121 474 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 474 A C 1.371 178.951 177.584 -0.007 0.000 1.154 474 A CA 1.176 53.209 52.037 -0.008 0.000 0.679 474 A CB -0.412 18.583 19.000 -0.008 0.000 0.795 474 A HN 0.357 nan 8.150 nan 0.000 0.458 475 A N 0.000 122.816 122.820 -0.007 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486