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 3ofn_1_O 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 0.000 174.706 174.700 0.011 0.000 1.109 7 T CA 0.000 62.105 62.100 0.009 0.000 1.349 7 T CB 0.000 68.873 68.868 0.008 0.000 0.612 8 P HA 0.679 nan 4.420 nan 0.000 0.279 8 P C -0.679 176.641 177.300 0.034 0.000 1.282 8 P CA -0.836 62.277 63.100 0.021 0.000 0.788 8 P CB 0.910 32.626 31.700 0.026 0.000 1.139 9 I N 0.474 121.072 120.570 0.046 0.000 2.382 9 I HA 0.196 4.366 4.170 0.000 0.000 0.285 9 I C 0.652 176.877 176.117 0.180 0.000 1.007 9 I CA -0.523 60.831 61.300 0.089 0.000 1.142 9 I CB 1.642 39.657 38.000 0.024 0.000 1.289 9 I HN 0.467 nan 8.210 nan 0.000 0.453 10 T N 2.081 116.742 114.554 0.177 0.000 2.936 10 T HA 0.842 5.192 4.350 0.000 0.000 0.282 10 T C 0.083 174.855 174.700 0.120 0.000 1.003 10 T CA -0.761 61.431 62.100 0.153 0.000 1.005 10 T CB 2.238 71.141 68.868 0.059 0.000 1.097 10 T HN 0.650 nan 8.240 nan 0.000 0.532 11 G N -1.072 107.645 108.800 -0.139 0.000 2.680 11 G HA2 0.702 4.662 3.960 0.000 0.000 0.290 11 G HA3 0.702 4.662 3.960 0.000 0.000 0.290 11 G C -1.373 173.330 174.900 -0.329 0.000 1.355 11 G CA -0.885 43.850 45.100 -0.610 0.000 0.903 11 G HN 0.916 nan 8.290 nan 0.000 0.474 12 K N 0.308 120.525 120.400 -0.306 0.000 2.394 12 K HA 0.699 5.019 4.320 0.000 0.000 0.260 12 K C -0.194 176.322 176.600 -0.141 0.000 0.967 12 K CA -0.672 55.525 56.287 -0.150 0.000 0.855 12 K CB 1.429 33.886 32.500 -0.073 0.000 1.101 12 K HN 0.845 nan 8.250 nan 0.000 0.433 13 V N 3.438 123.284 119.914 -0.114 0.000 2.557 13 V HA -0.005 4.115 4.120 0.000 0.000 0.301 13 V C 1.684 177.740 176.094 -0.063 0.000 1.026 13 V CA 1.436 63.687 62.300 -0.081 0.000 1.137 13 V CB 0.634 32.423 31.823 -0.057 0.000 0.917 13 V HN 1.047 nan 8.190 nan 0.000 0.484 14 T N 1.486 116.010 114.554 -0.049 0.000 2.990 14 T HA 0.574 4.924 4.350 0.000 0.000 0.250 14 T C 0.355 175.036 174.700 -0.032 0.000 1.041 14 T CA 0.459 62.532 62.100 -0.045 0.000 1.010 14 T CB 0.545 69.388 68.868 -0.041 0.000 1.003 14 T HN 0.992 nan 8.240 nan 0.000 0.499 15 A N 0.482 123.288 122.820 -0.024 0.000 2.547 15 A HA 0.700 5.020 4.320 0.000 0.000 0.297 15 A C -1.585 175.991 177.584 -0.013 0.000 1.056 15 A CA -0.700 51.328 52.037 -0.016 0.000 0.688 15 A CB 1.925 20.919 19.000 -0.009 0.000 1.282 15 A HN 0.278 nan 8.150 nan 0.000 0.400 16 V N 2.567 122.475 119.914 -0.011 0.000 2.462 16 V HA 0.441 4.561 4.120 0.000 0.000 0.288 16 V C -1.391 174.699 176.094 -0.006 0.000 1.020 16 V CA -0.045 62.250 62.300 -0.008 0.000 0.857 16 V CB 0.947 32.764 31.823 -0.009 0.000 1.013 16 V HN 0.655 nan 8.190 nan 0.000 0.431 17 I N 4.367 124.935 120.570 -0.004 0.000 2.466 17 I HA 0.782 4.952 4.170 0.000 0.000 0.279 17 I C 0.958 177.074 176.117 -0.003 0.000 1.033 17 I CA 0.444 61.742 61.300 -0.003 0.000 1.123 17 I CB 1.215 39.213 38.000 -0.003 0.000 1.237 17 I HN 0.741 nan 8.210 nan 0.000 0.460 18 G N 4.663 113.462 108.800 -0.003 0.000 2.622 18 G HA2 -0.297 3.663 3.960 0.000 0.000 0.307 18 G HA3 -0.297 3.663 3.960 0.000 0.000 0.307 18 G C 0.943 175.843 174.900 -0.001 0.000 1.226 18 G CA 0.600 45.698 45.100 -0.003 0.000 0.997 18 G HN 1.034 nan 8.290 nan 0.000 0.551 19 A N -0.483 122.336 122.820 -0.001 0.000 2.235 19 A HA 0.508 4.828 4.320 0.000 0.000 0.208 19 A C 0.828 178.416 177.584 0.005 0.000 1.172 19 A CA 1.050 53.089 52.037 0.003 0.000 0.786 19 A CB -0.190 18.811 19.000 0.001 0.000 0.804 19 A HN 0.615 nan 8.150 nan 0.000 0.479 20 I N 0.464 121.036 120.570 0.004 0.000 2.404 20 I HA 0.411 4.581 4.170 0.000 0.000 0.293 20 I C -0.674 175.446 176.117 0.005 0.000 0.992 20 I CA -0.919 60.384 61.300 0.006 0.000 1.149 20 I CB 1.423 39.426 38.000 0.005 0.000 1.315 20 I HN -0.172 nan 8.210 nan 0.000 0.446 21 V N 5.242 125.161 119.914 0.008 0.000 2.588 21 V HA 0.410 4.530 4.120 0.000 0.000 0.304 21 V C -0.766 175.331 176.094 0.006 0.000 1.042 21 V CA -0.770 61.533 62.300 0.004 0.000 0.877 21 V CB 2.425 34.250 31.823 0.003 0.000 0.996 21 V HN 0.574 nan 8.190 nan 0.000 0.425 22 D N 3.436 123.836 120.400 0.000 0.000 2.233 22 D HA 0.533 5.173 4.640 0.000 0.000 0.240 22 D C -0.587 175.703 176.300 -0.017 0.000 1.074 22 D CA -0.081 53.921 54.000 0.003 0.000 0.838 22 D CB 2.217 43.022 40.800 0.008 0.000 1.124 22 D HN 0.226 nan 8.370 nan 0.000 0.475 23 V N 2.404 122.303 119.914 -0.024 0.000 2.448 23 V HA 0.208 4.328 4.120 0.000 0.000 0.295 23 V C -0.290 175.712 176.094 -0.154 0.000 1.025 23 V CA -0.868 61.356 62.300 -0.126 0.000 0.859 23 V CB 1.626 33.338 31.823 -0.185 0.000 0.988 23 V HN 0.559 nan 8.190 nan 0.000 0.431 24 H N 4.342 123.235 119.070 -0.295 0.000 2.473 24 H HA 0.618 5.174 4.556 0.000 0.000 0.327 24 H C -1.489 173.593 175.328 -0.409 0.000 1.105 24 H CA -0.500 55.422 56.048 -0.210 0.000 1.280 24 H CB 1.044 30.737 29.762 -0.115 0.000 1.450 24 H HN 0.475 nan 8.280 nan 0.000 0.492 25 F N 4.035 123.627 119.950 -0.597 0.000 2.403 25 F HA 0.163 4.690 4.527 0.000 0.000 0.355 25 F C 1.206 176.702 175.800 -0.507 0.000 1.119 25 F CA -0.622 57.142 58.000 -0.393 0.000 1.007 25 F CB 1.734 40.596 39.000 -0.230 0.000 1.194 25 F HN 0.690 nan 8.300 nan 0.000 0.443 26 E N 1.934 122.095 120.200 -0.066 0.000 2.204 26 E HA -0.109 4.241 4.350 0.000 0.000 0.195 26 E C 1.332 177.960 176.600 0.047 0.000 0.990 26 E CA 0.887 57.329 56.400 0.069 0.000 0.821 26 E CB 0.058 29.835 29.700 0.128 0.000 0.750 26 E HN 0.719 nan 8.360 nan 0.000 0.477 27 Q N 0.174 120.013 119.800 0.065 0.000 2.395 27 Q HA 0.172 4.512 4.340 0.000 0.000 0.271 27 Q C 1.308 177.314 176.000 0.009 0.000 1.026 27 Q CA 0.660 56.489 55.803 0.042 0.000 0.900 27 Q CB 0.405 29.172 28.738 0.048 0.000 1.266 27 Q HN 0.235 nan 8.270 nan 0.000 0.430 28 S N 0.954 116.656 115.700 0.004 0.000 2.368 28 S HA -0.051 4.419 4.470 0.000 0.000 0.226 28 S C 0.914 175.502 174.600 -0.021 0.000 1.044 28 S CA 2.089 60.286 58.200 -0.004 0.000 1.062 28 S CB -0.248 62.952 63.200 -0.001 0.000 0.931 28 S HN 1.334 nan 8.310 nan 0.000 0.440 29 E N 0.650 120.827 120.200 -0.038 0.000 2.231 29 E HA 0.617 4.967 4.350 0.000 0.000 0.277 29 E C -0.736 175.778 176.600 -0.143 0.000 0.999 29 E CA -0.695 55.666 56.400 -0.065 0.000 0.827 29 E CB 0.641 30.307 29.700 -0.057 0.000 1.101 29 E HN 0.326 nan 8.360 nan 0.000 0.393 30 L N 2.002 123.122 121.223 -0.172 0.000 2.376 30 L HA 0.626 4.967 4.340 0.000 0.000 0.267 30 L C -1.790 174.859 176.870 -0.368 0.000 1.035 30 L CA -1.983 52.636 54.840 -0.369 0.000 0.800 30 L CB 1.133 43.026 42.059 -0.277 0.000 1.290 30 L HN 0.583 nan 8.230 nan 0.000 0.462 31 P HA 0.331 nan 4.420 nan 0.000 0.277 31 P C -1.004 176.257 177.300 -0.066 0.000 1.240 31 P CA -0.547 62.378 63.100 -0.293 0.000 0.798 31 P CB 0.850 32.347 31.700 -0.338 0.000 0.979 32 A N 2.784 125.604 122.820 -0.001 0.000 2.387 32 A HA 0.240 4.560 4.320 0.000 0.000 0.251 32 A C 0.681 178.335 177.584 0.118 0.000 1.113 32 A CA -0.404 51.677 52.037 0.073 0.000 0.794 32 A CB -0.410 18.592 19.000 0.004 0.000 1.069 32 A HN 0.555 nan 8.150 nan 0.000 0.506 33 I N 0.042 120.668 120.570 0.093 0.000 2.638 33 I HA 0.114 4.284 4.170 0.000 0.000 0.286 33 I C 0.596 176.703 176.117 -0.016 0.000 1.088 33 I CA 0.312 61.644 61.300 0.054 0.000 1.397 33 I CB 0.555 38.561 38.000 0.011 0.000 1.414 33 I HN 0.714 nan 8.210 nan 0.000 0.566 34 L N 2.037 123.238 121.223 -0.037 0.000 5.044 34 L HA -0.257 4.083 4.340 0.000 0.000 0.412 34 L C 0.013 176.882 176.870 -0.002 0.000 0.971 34 L CA 0.150 54.942 54.840 -0.080 0.000 1.411 34 L CB -1.702 40.236 42.059 -0.201 0.000 1.884 34 L HN 0.696 nan 8.230 nan 0.000 0.631 35 N N 1.386 120.091 118.700 0.008 0.000 2.483 35 N HA 0.443 5.183 4.740 0.000 0.000 0.264 35 N C 0.355 175.883 175.510 0.031 0.000 1.197 35 N CA 0.923 53.982 53.050 0.015 0.000 0.927 35 N CB 0.958 39.440 38.487 -0.008 0.000 1.065 35 N HN 0.308 nan 8.380 nan 0.000 0.461 36 A N 3.200 126.043 122.820 0.038 0.000 2.409 36 A HA 0.428 4.748 4.320 0.000 0.000 0.262 36 A C -0.211 177.400 177.584 0.046 0.000 1.113 36 A CA -0.345 51.719 52.037 0.045 0.000 0.790 36 A CB -0.046 18.980 19.000 0.043 0.000 1.046 36 A HN 0.649 nan 8.150 nan 0.000 0.496 37 L N 2.211 123.468 121.223 0.057 0.000 2.329 37 L HA 0.518 4.858 4.340 0.000 0.000 0.279 37 L C 0.137 177.040 176.870 0.056 0.000 1.014 37 L CA -0.377 54.507 54.840 0.073 0.000 0.814 37 L CB 1.808 43.933 42.059 0.109 0.000 1.257 37 L HN 0.758 nan 8.230 nan 0.000 0.424 38 E N 2.857 123.089 120.200 0.053 0.000 2.171 38 E HA 0.602 4.952 4.350 0.000 0.000 0.271 38 E C -1.211 175.407 176.600 0.030 0.000 0.916 38 E CA -0.519 55.903 56.400 0.036 0.000 0.774 38 E CB 2.464 32.182 29.700 0.030 0.000 1.128 38 E HN 0.419 nan 8.360 nan 0.000 0.403 39 I N 3.420 124.002 120.570 0.020 0.000 2.447 39 I HA 0.268 4.438 4.170 0.000 0.000 0.287 39 I C -0.606 175.516 176.117 0.009 0.000 1.023 39 I CA -0.829 60.477 61.300 0.011 0.000 1.083 39 I CB 1.708 39.711 38.000 0.005 0.000 1.245 39 I HN 0.227 nan 8.210 nan 0.000 0.434 40 K N 4.478 124.882 120.400 0.006 0.000 2.258 40 K HA 0.411 4.731 4.320 0.000 0.000 0.284 40 K C 0.055 176.656 176.600 0.002 0.000 1.051 40 K CA -0.246 56.044 56.287 0.005 0.000 0.923 40 K CB 1.155 33.658 32.500 0.005 0.000 1.046 40 K HN 0.657 nan 8.250 nan 0.000 0.474 41 T N -0.197 114.358 114.554 0.002 0.000 2.841 41 T HA 0.378 4.728 4.350 0.000 0.000 0.276 41 T C -1.561 173.140 174.700 0.001 0.000 1.003 41 T CA -1.676 60.425 62.100 0.001 0.000 0.995 41 T CB 0.865 69.734 68.868 0.002 0.000 1.260 41 T HN 0.201 nan 8.240 nan 0.000 0.581 42 P HA -0.067 nan 4.420 nan 0.000 0.213 42 P C 1.502 178.802 177.300 0.000 0.000 1.170 42 P CA 1.254 64.354 63.100 -0.000 0.000 0.902 42 P CB 0.042 31.742 31.700 -0.001 0.000 0.789 43 Q N -1.607 118.194 119.800 0.001 0.000 2.204 43 Q HA 0.248 4.589 4.340 0.000 0.000 0.198 43 Q C 1.423 177.424 176.000 0.001 0.000 0.946 43 Q CA 1.268 57.072 55.803 0.001 0.000 0.859 43 Q CB -0.137 28.601 28.738 0.000 0.000 0.946 43 Q HN 0.304 nan 8.270 nan 0.000 0.474 44 G N -0.814 107.987 108.800 0.002 0.000 3.159 44 G HA2 0.397 4.357 3.960 0.000 0.000 0.150 44 G HA3 0.397 4.357 3.960 0.000 0.000 0.150 44 G C -1.245 173.657 174.900 0.005 0.000 1.193 44 G CA -0.723 44.379 45.100 0.003 0.000 1.177 44 G HN -0.081 nan 8.290 nan 0.000 0.635 45 K N -0.423 119.981 120.400 0.006 0.000 2.208 45 K HA 0.679 4.999 4.320 0.000 0.000 0.247 45 K C -1.426 175.180 176.600 0.009 0.000 0.953 45 K CA -0.619 55.673 56.287 0.008 0.000 0.837 45 K CB 2.370 34.877 32.500 0.010 0.000 1.131 45 K HN 0.313 nan 8.250 nan 0.000 0.431 46 L N 2.617 123.846 121.223 0.011 0.000 2.305 46 L HA 0.420 4.760 4.340 0.000 0.000 0.284 46 L C -1.359 175.521 176.870 0.018 0.000 1.013 46 L CA -0.495 54.352 54.840 0.013 0.000 0.819 46 L CB 1.534 43.598 42.059 0.010 0.000 1.227 46 L HN 0.316 nan 8.230 nan 0.000 0.417 47 V N 6.263 126.189 119.914 0.021 0.000 2.427 47 V HA 0.499 4.619 4.120 0.000 0.000 0.286 47 V C 0.141 176.254 176.094 0.032 0.000 1.034 47 V CA -0.556 61.761 62.300 0.027 0.000 0.893 47 V CB 1.246 33.085 31.823 0.027 0.000 0.982 47 V HN 0.663 nan 8.190 nan 0.000 0.452 48 L N 3.620 124.866 121.223 0.038 0.000 2.342 48 L HA 0.698 5.038 4.340 0.000 0.000 0.271 48 L C -0.175 176.726 176.870 0.051 0.000 1.008 48 L CA -0.476 54.390 54.840 0.043 0.000 0.818 48 L CB 2.158 44.243 42.059 0.044 0.000 1.296 48 L HN 0.696 nan 8.230 nan 0.000 0.427 49 E N 1.286 121.518 120.200 0.053 0.000 2.210 49 E HA 0.436 4.786 4.350 0.000 0.000 0.266 49 E C -1.423 175.205 176.600 0.046 0.000 0.883 49 E CA -0.765 55.669 56.400 0.056 0.000 0.761 49 E CB 2.354 32.099 29.700 0.076 0.000 1.156 49 E HN 0.325 nan 8.360 nan 0.000 0.412 50 V N 3.692 123.630 119.914 0.040 0.000 2.572 50 V HA 0.193 4.313 4.120 0.000 0.000 0.291 50 V C 0.857 176.973 176.094 0.036 0.000 1.039 50 V CA 0.809 63.134 62.300 0.042 0.000 1.055 50 V CB 0.893 32.741 31.823 0.041 0.000 0.969 50 V HN 0.894 nan 8.190 nan 0.000 0.482 51 A N 4.004 126.851 122.820 0.045 0.000 2.026 51 A HA 0.326 4.646 4.320 0.000 0.000 0.201 51 A C 0.605 178.223 177.584 0.058 0.000 1.318 51 A CA 0.356 52.414 52.037 0.035 0.000 0.857 51 A CB 0.346 19.363 19.000 0.028 0.000 0.939 51 A HN 0.884 nan 8.150 nan 0.000 0.476 52 Q N -1.290 118.569 119.800 0.098 0.000 2.633 52 Q HA 0.379 4.719 4.340 0.000 0.000 0.289 52 Q C -1.763 174.379 176.000 0.238 0.000 0.940 52 Q CA -0.795 55.096 55.803 0.147 0.000 0.785 52 Q CB 0.751 29.538 28.738 0.081 0.000 1.467 52 Q HN 0.473 nan 8.270 nan 0.000 0.401 53 H N 1.190 120.264 119.070 0.007 0.000 2.581 53 H HA 0.295 4.851 4.556 0.000 0.000 0.308 53 H C 0.410 175.749 175.328 0.018 0.000 1.040 53 H CA -0.411 55.645 56.048 0.014 0.000 1.231 53 H CB 1.487 31.250 29.762 0.001 0.000 1.396 53 H HN 0.479 nan 8.280 nan 0.000 0.467 54 L N 2.748 124.034 121.223 0.105 0.000 2.395 54 L HA 0.079 4.419 4.340 0.000 0.000 0.218 54 L C 1.237 178.149 176.870 0.070 0.000 1.130 54 L CA 0.795 55.679 54.840 0.073 0.000 0.826 54 L CB 0.022 42.112 42.059 0.052 0.000 0.941 54 L HN 0.931 nan 8.230 nan 0.000 0.451 55 G N -0.387 108.462 108.800 0.082 0.000 2.603 55 G HA2 -0.174 3.786 3.960 0.000 0.000 0.686 55 G HA3 -0.174 3.786 3.960 0.000 0.000 0.686 55 G C -0.003 174.936 174.900 0.065 0.000 1.286 55 G CA -0.401 44.740 45.100 0.070 0.000 0.871 55 G HN 0.206 nan 8.290 nan 0.000 0.568 56 E N 0.134 120.371 120.200 0.063 0.000 2.360 56 E HA -0.272 4.078 4.350 0.000 0.000 0.238 56 E C 0.765 177.420 176.600 0.092 0.000 1.186 56 E CA 0.786 57.233 56.400 0.078 0.000 0.719 56 E CB -1.066 28.684 29.700 0.084 0.000 1.236 56 E HN 0.987 nan 8.360 nan 0.000 0.386 57 N N -1.083 117.639 118.700 0.036 0.000 2.708 57 N HA -0.159 4.581 4.740 0.000 0.000 0.249 57 N C -0.774 174.703 175.510 -0.055 0.000 1.097 57 N CA 1.829 54.853 53.050 -0.044 0.000 0.710 57 N CB -1.106 37.295 38.487 -0.143 0.000 1.032 57 N HN 0.193 nan 8.380 nan 0.000 0.551 58 T N 0.177 114.752 114.554 0.034 0.000 2.807 58 T HA 0.548 4.898 4.350 0.000 0.000 0.279 58 T C 0.523 175.232 174.700 0.014 0.000 0.993 58 T CA -0.718 61.419 62.100 0.061 0.000 0.970 58 T CB 2.584 71.513 68.868 0.101 0.000 0.950 58 T HN 0.146 nan 8.240 nan 0.000 0.441 59 V N 1.797 121.727 119.914 0.027 0.000 2.547 59 V HA 0.766 4.886 4.120 0.000 0.000 0.299 59 V C -0.164 175.944 176.094 0.023 0.000 1.040 59 V CA -1.308 60.976 62.300 -0.027 0.000 0.913 59 V CB 1.574 33.352 31.823 -0.074 0.000 0.992 59 V HN 0.853 nan 8.190 nan 0.000 0.449 60 R N 2.577 123.091 120.500 0.023 0.000 2.474 60 R HA 0.780 5.120 4.340 0.000 0.000 0.295 60 R C -0.217 176.105 176.300 0.036 0.000 0.980 60 R CA 0.337 56.456 56.100 0.031 0.000 0.934 60 R CB 1.669 31.989 30.300 0.033 0.000 1.101 60 R HN 1.164 nan 8.270 nan 0.000 0.469 61 T N 1.238 115.811 114.554 0.032 0.000 2.896 61 T HA 0.506 4.857 4.350 0.000 0.000 0.297 61 T C -0.156 174.561 174.700 0.028 0.000 1.108 61 T CA -0.880 61.242 62.100 0.035 0.000 1.004 61 T CB 1.090 69.983 68.868 0.042 0.000 1.159 61 T HN 0.440 nan 8.240 nan 0.000 0.499 62 I N 1.870 122.459 120.570 0.032 0.000 2.359 62 I HA 0.599 4.769 4.170 0.000 0.000 0.294 62 I C 0.715 176.851 176.117 0.031 0.000 0.987 62 I CA -1.147 60.170 61.300 0.028 0.000 1.225 62 I CB 1.537 39.556 38.000 0.032 0.000 1.366 62 I HN 0.952 nan 8.210 nan 0.000 0.466 63 A N 6.993 129.828 122.820 0.024 0.000 2.327 63 A HA 0.519 4.839 4.320 0.000 0.000 0.283 63 A C 0.653 178.253 177.584 0.026 0.000 1.127 63 A CA -0.459 51.592 52.037 0.024 0.000 0.810 63 A CB 0.644 19.654 19.000 0.016 0.000 1.066 63 A HN 0.778 nan 8.150 nan 0.000 0.492 64 M N 0.731 120.348 119.600 0.028 0.000 2.428 64 M HA 0.184 4.664 4.480 0.000 0.000 0.239 64 M C -0.219 176.095 176.300 0.024 0.000 1.121 64 M CA 0.523 55.841 55.300 0.029 0.000 1.019 64 M CB -0.914 31.705 32.600 0.032 0.000 1.485 64 M HN 0.789 nan 8.290 nan 0.000 0.484 65 D N -0.711 119.701 120.400 0.019 0.000 2.867 65 D HA 0.547 5.187 4.640 0.000 0.000 0.308 65 D C -0.428 175.879 176.300 0.012 0.000 1.202 65 D CA -0.192 53.817 54.000 0.016 0.000 1.035 65 D CB 1.169 41.977 40.800 0.014 0.000 1.427 65 D HN 0.104 nan 8.370 nan 0.000 0.570 66 G N -1.279 107.527 108.800 0.009 0.000 2.569 66 G HA2 0.395 4.355 3.960 0.000 0.000 0.249 66 G HA3 0.395 4.355 3.960 0.000 0.000 0.249 66 G C 0.585 175.488 174.900 0.005 0.000 1.216 66 G CA 0.328 45.432 45.100 0.007 0.000 0.845 66 G HN 0.400 nan 8.290 nan 0.000 0.568 67 T N -1.720 112.835 114.554 0.003 0.000 3.174 67 T HA 0.246 4.596 4.350 0.000 0.000 0.269 67 T C 0.230 174.930 174.700 -0.001 0.000 1.017 67 T CA -0.337 61.764 62.100 0.001 0.000 0.899 67 T CB -0.044 68.825 68.868 0.001 0.000 1.077 67 T HN 0.539 nan 8.240 nan 0.000 0.552 68 E N 1.284 121.484 120.200 -0.000 0.000 2.376 68 E HA 0.481 4.832 4.350 0.000 0.000 0.266 68 E C 1.347 177.946 176.600 -0.003 0.000 1.009 68 E CA 0.465 56.864 56.400 -0.002 0.000 0.902 68 E CB 0.149 29.849 29.700 -0.001 0.000 0.972 68 E HN 0.327 nan 8.360 nan 0.000 0.439 69 G N 2.516 111.313 108.800 -0.004 0.000 2.213 69 G HA2 -0.273 3.687 3.960 0.000 0.000 0.236 69 G HA3 -0.273 3.687 3.960 0.000 0.000 0.236 69 G C 0.142 175.038 174.900 -0.007 0.000 0.991 69 G CA -0.425 44.672 45.100 -0.005 0.000 0.629 69 G HN 0.422 nan 8.290 nan 0.000 0.517 70 L N 1.286 122.504 121.223 -0.008 0.000 2.455 70 L HA 0.428 4.768 4.340 0.000 0.000 0.272 70 L C 0.396 177.258 176.870 -0.014 0.000 1.174 70 L CA -0.013 54.821 54.840 -0.011 0.000 0.869 70 L CB 1.214 43.266 42.059 -0.011 0.000 1.130 70 L HN -0.003 nan 8.230 nan 0.000 0.474 71 V N 4.800 124.704 119.914 -0.017 0.000 2.448 71 V HA 0.296 4.416 4.120 0.000 0.000 0.295 71 V C 0.249 176.328 176.094 -0.025 0.000 1.025 71 V CA -0.839 61.449 62.300 -0.019 0.000 0.859 71 V CB 1.800 33.612 31.823 -0.017 0.000 0.988 71 V HN 0.697 nan 8.190 nan 0.000 0.431 72 R N 3.362 123.845 120.500 -0.027 0.000 2.501 72 R HA 0.296 4.636 4.340 0.000 0.000 0.319 72 R C 1.262 177.537 176.300 -0.040 0.000 0.913 72 R CA 1.195 57.274 56.100 -0.035 0.000 1.104 72 R CB -0.173 30.106 30.300 -0.035 0.000 0.901 72 R HN 1.177 nan 8.270 nan 0.000 0.407 73 G N 2.127 110.898 108.800 -0.049 0.000 2.192 73 G HA2 -0.254 3.706 3.960 0.000 0.000 0.193 73 G HA3 -0.254 3.706 3.960 0.000 0.000 0.193 73 G C -0.004 174.868 174.900 -0.047 0.000 0.999 73 G CA -0.278 44.791 45.100 -0.051 0.000 0.659 73 G HN 0.587 nan 8.290 nan 0.000 0.503 74 E N 1.013 121.187 120.200 -0.044 0.000 2.392 74 E HA 0.402 4.752 4.350 0.000 0.000 0.264 74 E C 0.720 177.289 176.600 -0.050 0.000 1.024 74 E CA -0.233 56.144 56.400 -0.039 0.000 0.903 74 E CB 0.404 30.085 29.700 -0.031 0.000 0.963 74 E HN 0.265 nan 8.360 nan 0.000 0.432 75 K N 2.644 123.020 120.400 -0.039 0.000 2.350 75 K HA 0.195 4.515 4.320 0.000 0.000 0.279 75 K C -1.324 175.254 176.600 -0.037 0.000 1.027 75 K CA -0.347 55.915 56.287 -0.041 0.000 0.969 75 K CB 0.673 33.161 32.500 -0.020 0.000 0.954 75 K HN 0.280 nan 8.250 nan 0.000 0.474 76 V N 5.834 125.718 119.914 -0.051 0.000 2.447 76 V HA 0.175 4.296 4.120 0.000 0.000 0.292 76 V C -0.646 175.480 176.094 0.054 0.000 1.021 76 V CA -1.065 61.223 62.300 -0.020 0.000 0.850 76 V CB 1.227 33.010 31.823 -0.068 0.000 1.005 76 V HN 0.650 nan 8.190 nan 0.000 0.426 77 L N 3.968 125.231 121.223 0.067 0.000 2.319 77 L HA 0.524 4.864 4.340 0.000 0.000 0.280 77 L C 0.027 176.968 176.870 0.119 0.000 1.099 77 L CA 0.417 55.310 54.840 0.089 0.000 0.828 77 L CB 0.897 42.987 42.059 0.053 0.000 1.150 77 L HN 0.738 nan 8.230 nan 0.000 0.442 78 D N 2.298 122.784 120.400 0.143 0.000 2.317 78 D HA 0.126 4.766 4.640 0.000 0.000 0.252 78 D C 1.096 177.418 176.300 0.037 0.000 1.174 78 D CA 0.384 54.433 54.000 0.083 0.000 0.866 78 D CB 1.319 42.121 40.800 0.002 0.000 1.127 78 D HN 0.738 nan 8.370 nan 0.000 0.467 79 T N 0.875 115.447 114.554 0.029 0.000 3.055 79 T HA 0.167 4.517 4.350 0.000 0.000 0.265 79 T C 1.407 176.109 174.700 0.004 0.000 1.111 79 T CA 0.223 62.333 62.100 0.017 0.000 1.118 79 T CB -0.415 68.465 68.868 0.020 0.000 0.909 79 T HN 0.739 nan 8.240 nan 0.000 0.501 80 G N 0.502 109.297 108.800 -0.008 0.000 2.370 80 G HA2 0.350 4.310 3.960 0.000 0.000 0.295 80 G HA3 0.350 4.310 3.960 0.000 0.000 0.295 80 G C 0.325 175.219 174.900 -0.010 0.000 1.045 80 G CA -0.238 44.849 45.100 -0.022 0.000 1.199 80 G HN 1.677 nan 8.290 nan 0.000 0.513 81 G N -0.656 108.143 108.800 -0.001 0.000 2.352 81 G HA2 0.581 4.541 3.960 0.000 0.000 0.305 81 G HA3 0.581 4.541 3.960 0.000 0.000 0.305 81 G C -3.008 171.907 174.900 0.025 0.000 1.537 81 G CA -0.072 45.034 45.100 0.010 0.000 0.959 81 G HN 0.390 nan 8.290 nan 0.000 0.668 82 P HA 0.352 nan 4.420 nan 0.000 0.272 82 P C 0.495 177.833 177.300 0.063 0.000 1.254 82 P CA -0.489 62.657 63.100 0.077 0.000 0.795 82 P CB 0.463 32.236 31.700 0.123 0.000 1.022 83 I N 0.186 120.804 120.570 0.080 0.000 2.742 83 I HA -0.051 4.119 4.170 0.000 0.000 0.287 83 I C 0.641 176.768 176.117 0.017 0.000 1.186 83 I CA 1.049 62.376 61.300 0.044 0.000 1.417 83 I CB -0.421 37.605 38.000 0.044 0.000 1.377 83 I HN 0.176 nan 8.210 nan 0.000 0.556 84 S N 5.705 121.407 115.700 0.004 0.000 2.509 84 S HA 0.657 5.127 4.470 0.000 0.000 0.297 84 S C -0.310 174.274 174.600 -0.027 0.000 1.118 84 S CA -0.744 57.448 58.200 -0.014 0.000 1.074 84 S CB 1.945 65.137 63.200 -0.014 0.000 1.038 84 S HN 0.484 nan 8.310 nan 0.000 0.498 85 V N 0.883 120.771 119.914 -0.044 0.000 2.823 85 V HA 0.738 4.858 4.120 0.000 0.000 0.312 85 V C -3.063 172.981 176.094 -0.084 0.000 1.072 85 V CA -3.099 59.169 62.300 -0.054 0.000 0.937 85 V CB 1.227 33.019 31.823 -0.051 0.000 1.013 85 V HN 0.539 nan 8.190 nan 0.000 0.430 86 P HA 0.358 nan 4.420 nan 0.000 0.269 86 P C -0.187 176.992 177.300 -0.202 0.000 1.209 86 P CA 0.112 63.131 63.100 -0.134 0.000 0.776 86 P CB 0.982 32.622 31.700 -0.100 0.000 0.876 87 V N -1.042 118.661 119.914 -0.351 0.000 3.184 87 V HA 0.964 5.084 4.120 0.000 0.000 0.308 87 V C 0.513 176.169 176.094 -0.730 0.000 1.243 87 V CA -0.111 61.823 62.300 -0.610 0.000 1.058 87 V CB 0.577 31.812 31.823 -0.981 0.000 1.183 87 V HN 0.931 nan 8.190 nan 0.000 0.471 88 G N 0.544 108.678 108.800 -1.109 0.000 2.598 88 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 88 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 88 G C 0.346 175.014 174.900 -0.386 0.000 1.302 88 G CA 0.567 45.251 45.100 -0.694 0.000 0.903 88 G HN 0.977 nan 8.290 nan 0.000 0.575 89 R N 0.407 120.823 120.500 -0.140 0.000 2.240 89 R HA 0.061 4.401 4.340 0.000 0.000 0.203 89 R C 1.584 177.873 176.300 -0.018 0.000 1.011 89 R CA 0.807 56.901 56.100 -0.011 0.000 1.007 89 R CB -0.015 30.316 30.300 0.050 0.000 0.911 89 R HN 0.543 nan 8.270 nan 0.000 0.468 90 E N 0.623 120.793 120.200 -0.050 0.000 2.505 90 E HA -0.067 4.283 4.350 0.000 0.000 0.197 90 E C 1.189 177.776 176.600 -0.023 0.000 1.111 90 E CA 0.904 57.285 56.400 -0.032 0.000 0.887 90 E CB 0.292 29.964 29.700 -0.046 0.000 0.913 90 E HN 0.382 nan 8.360 nan 0.000 0.517 91 T N -3.143 111.405 114.554 -0.009 0.000 2.985 91 T HA 0.179 4.530 4.350 0.000 0.000 0.254 91 T C 0.973 175.697 174.700 0.040 0.000 1.021 91 T CA -0.313 61.796 62.100 0.015 0.000 0.957 91 T CB 0.116 68.999 68.868 0.025 0.000 1.047 91 T HN -0.076 nan 8.240 nan 0.000 0.511 92 L N 1.853 123.092 121.223 0.025 0.000 2.483 92 L HA 0.458 4.798 4.340 0.000 0.000 0.276 92 L C 1.785 178.690 176.870 0.060 0.000 1.213 92 L CA 1.088 55.936 54.840 0.013 0.000 0.843 92 L CB 0.106 42.142 42.059 -0.039 0.000 1.107 92 L HN 0.521 nan 8.230 nan 0.000 0.487 93 G N 1.130 109.985 108.800 0.092 0.000 2.196 93 G HA2 -0.251 3.710 3.960 0.000 0.000 0.268 93 G HA3 -0.251 3.710 3.960 0.000 0.000 0.268 93 G C 0.447 175.455 174.900 0.179 0.000 0.975 93 G CA 0.066 45.248 45.100 0.136 0.000 0.648 93 G HN 0.476 nan 8.290 nan 0.000 0.538 94 R N -0.524 120.050 120.500 0.124 0.000 2.828 94 R HA 0.764 5.104 4.340 0.000 0.000 0.264 94 R C 0.176 176.509 176.300 0.055 0.000 1.022 94 R CA -0.913 55.240 56.100 0.087 0.000 1.021 94 R CB 1.065 31.396 30.300 0.052 0.000 1.163 94 R HN 0.256 nan 8.270 nan 0.000 0.494 95 I N 1.908 122.469 120.570 -0.015 0.000 2.441 95 I HA 0.457 4.627 4.170 0.000 0.000 0.295 95 I C -0.219 175.919 176.117 0.034 0.000 0.994 95 I CA -0.732 60.568 61.300 0.001 0.000 1.144 95 I CB 1.462 39.367 38.000 -0.158 0.000 1.314 95 I HN 0.287 nan 8.210 nan 0.000 0.445 96 I N 5.074 125.695 120.570 0.086 0.000 2.533 96 I HA 0.304 4.474 4.170 0.000 0.000 0.290 96 I C -0.136 176.019 176.117 0.064 0.000 1.056 96 I CA -0.675 60.656 61.300 0.052 0.000 1.057 96 I CB 1.689 39.707 38.000 0.030 0.000 1.240 96 I HN 0.484 nan 8.210 nan 0.000 0.423 97 N N 2.844 121.568 118.700 0.040 0.000 2.381 97 N HA 0.011 4.751 4.740 0.000 0.000 0.241 97 N C 1.122 176.646 175.510 0.023 0.000 1.279 97 N CA 0.014 53.086 53.050 0.037 0.000 0.896 97 N CB 1.477 39.977 38.487 0.022 0.000 1.118 97 N HN 0.538 nan 8.380 nan 0.000 0.438 98 V N 2.168 122.097 119.914 0.024 0.000 2.568 98 V HA -0.171 3.949 4.120 0.000 0.000 0.253 98 V C 1.637 177.732 176.094 0.001 0.000 1.072 98 V CA 1.704 64.009 62.300 0.008 0.000 1.084 98 V CB -0.436 31.397 31.823 0.018 0.000 0.676 98 V HN 0.651 nan 8.190 nan 0.000 0.469 99 I N -2.681 117.894 120.570 0.008 0.000 3.883 99 I HA 0.524 4.694 4.170 0.000 0.000 0.326 99 I C 1.543 177.658 176.117 -0.003 0.000 1.283 99 I CA 0.664 61.967 61.300 0.005 0.000 1.161 99 I CB -0.184 37.823 38.000 0.011 0.000 1.012 99 I HN 0.290 nan 8.210 nan 0.000 0.421 100 G N 0.919 109.716 108.800 -0.005 0.000 2.225 100 G HA2 -0.327 3.633 3.960 0.000 0.000 0.254 100 G HA3 -0.327 3.633 3.960 0.000 0.000 0.254 100 G C 0.294 175.188 174.900 -0.009 0.000 0.988 100 G CA 0.342 45.435 45.100 -0.013 0.000 0.625 100 G HN 0.824 nan 8.290 nan 0.000 0.527 101 E N 1.980 122.178 120.200 -0.003 0.000 2.422 101 E HA 0.547 4.897 4.350 0.000 0.000 0.260 101 E C -1.879 174.721 176.600 0.000 0.000 1.108 101 E CA -0.362 56.036 56.400 -0.002 0.000 0.943 101 E CB -0.247 29.453 29.700 0.001 0.000 0.961 101 E HN 0.461 nan 8.360 nan 0.000 0.443 102 P HA 0.398 nan 4.420 nan 0.000 0.290 102 P C 0.118 177.413 177.300 -0.010 0.000 1.275 102 P CA -0.308 62.790 63.100 -0.004 0.000 0.841 102 P CB 0.785 32.482 31.700 -0.004 0.000 1.042 103 I N -1.233 119.325 120.570 -0.020 0.000 4.081 103 I HA 0.244 4.414 4.170 0.000 0.000 0.333 103 I C 0.248 176.322 176.117 -0.071 0.000 1.413 103 I CA -0.177 61.102 61.300 -0.036 0.000 1.110 103 I CB -0.159 37.823 38.000 -0.029 0.000 1.082 103 I HN 0.039 nan 8.210 nan 0.000 0.402 104 D N 0.860 121.215 120.400 -0.075 0.000 2.358 104 D HA -0.002 4.638 4.640 0.000 0.000 0.224 104 D C 0.397 176.684 176.300 -0.022 0.000 1.123 104 D CA -0.229 53.716 54.000 -0.091 0.000 0.833 104 D CB -0.304 40.416 40.800 -0.134 0.000 0.946 104 D HN 0.419 nan 8.370 nan 0.000 0.505 105 E N -0.248 119.942 120.200 -0.017 0.000 2.539 105 E HA -0.280 4.070 4.350 0.000 0.000 0.253 105 E C 0.275 176.881 176.600 0.010 0.000 1.145 105 E CA 0.293 56.692 56.400 -0.002 0.000 0.738 105 E CB -1.034 28.666 29.700 0.000 0.000 1.308 105 E HN 0.382 nan 8.360 nan 0.000 0.409 106 R N -0.439 120.069 120.500 0.013 0.000 2.696 106 R HA 0.267 4.607 4.340 0.000 0.000 0.355 106 R C 0.816 177.125 176.300 0.015 0.000 1.138 106 R CA 0.390 56.503 56.100 0.022 0.000 1.059 106 R CB 0.787 31.110 30.300 0.040 0.000 1.380 106 R HN 0.365 nan 8.270 nan 0.000 0.578 107 G N 1.423 110.228 108.800 0.008 0.000 2.578 107 G HA2 -0.238 3.722 3.960 0.000 0.000 0.232 107 G HA3 -0.238 3.722 3.960 0.000 0.000 0.232 107 G C -2.469 172.432 174.900 0.002 0.000 1.176 107 G CA -0.578 44.525 45.100 0.005 0.000 0.968 107 G HN 0.289 nan 8.290 nan 0.000 0.583 108 P HA 0.799 nan 4.420 nan 0.000 0.309 108 P C -0.869 176.428 177.300 -0.005 0.000 1.302 108 P CA -0.893 62.205 63.100 -0.004 0.000 0.835 108 P CB 1.335 33.032 31.700 -0.005 0.000 1.324 109 I N -0.327 120.236 120.570 -0.012 0.000 2.420 109 I HA 0.397 4.567 4.170 0.000 0.000 0.282 109 I C 0.573 176.674 176.117 -0.027 0.000 1.019 109 I CA -0.663 60.626 61.300 -0.018 0.000 1.130 109 I CB 1.244 39.230 38.000 -0.024 0.000 1.262 109 I HN 0.324 nan 8.210 nan 0.000 0.454 110 K N 4.556 124.941 120.400 -0.024 0.000 2.265 110 K HA 0.541 4.861 4.320 0.000 0.000 0.242 110 K C 0.022 176.599 176.600 -0.038 0.000 1.137 110 K CA -0.376 55.895 56.287 -0.027 0.000 1.082 110 K CB 0.582 33.073 32.500 -0.016 0.000 1.731 110 K HN 0.683 nan 8.250 nan 0.000 0.392 111 S N -0.718 114.946 115.700 -0.060 0.000 2.664 111 S HA 0.676 5.146 4.470 0.000 0.000 0.304 111 S C 1.672 176.219 174.600 -0.088 0.000 1.099 111 S CA 0.323 58.471 58.200 -0.087 0.000 1.003 111 S CB 1.644 64.761 63.200 -0.139 0.000 1.092 111 S HN 0.753 nan 8.310 nan 0.000 0.525 112 K N 1.459 121.801 120.400 -0.095 0.000 1.965 112 K HA 0.202 4.522 4.320 0.000 0.000 0.218 112 K C 1.018 177.563 176.600 -0.091 0.000 1.048 112 K CA 1.617 57.859 56.287 -0.074 0.000 0.960 112 K CB -1.636 30.833 32.500 -0.052 0.000 0.732 112 K HN 0.673 nan 8.250 nan 0.000 0.444 113 L N -0.124 121.013 121.223 -0.143 0.000 2.387 113 L HA 0.448 4.789 4.340 0.000 0.000 0.266 113 L C 0.326 177.099 176.870 -0.162 0.000 1.059 113 L CA -0.851 53.911 54.840 -0.130 0.000 0.801 113 L CB 1.829 43.827 42.059 -0.101 0.000 1.223 113 L HN 0.354 nan 8.230 nan 0.000 0.456 114 R N 1.693 122.130 120.500 -0.106 0.000 2.422 114 R HA 0.308 4.648 4.340 0.000 0.000 0.307 114 R C -0.995 175.266 176.300 -0.065 0.000 1.004 114 R CA -0.693 55.350 56.100 -0.097 0.000 0.882 114 R CB 1.406 31.668 30.300 -0.063 0.000 1.164 114 R HN 0.449 nan 8.270 nan 0.000 0.489 115 K N 3.770 124.127 120.400 -0.072 0.000 2.270 115 K HA 0.215 4.535 4.320 0.000 0.000 0.276 115 K C -2.149 174.439 176.600 -0.020 0.000 1.023 115 K CA -1.618 54.655 56.287 -0.023 0.000 0.955 115 K CB 0.773 33.277 32.500 0.007 0.000 0.975 115 K HN 0.250 nan 8.250 nan 0.000 0.471 116 P HA -0.006 nan 4.420 nan 0.000 0.271 116 P C 0.547 177.843 177.300 -0.007 0.000 1.216 116 P CA 0.137 63.244 63.100 0.012 0.000 0.776 116 P CB 0.296 32.019 31.700 0.037 0.000 0.881 117 I N -1.028 119.518 120.570 -0.040 0.000 3.111 117 I HA 0.059 4.229 4.170 0.000 0.000 0.272 117 I C 0.563 176.539 176.117 -0.235 0.000 1.268 117 I CA 0.726 61.941 61.300 -0.142 0.000 1.467 117 I CB -0.706 37.176 38.000 -0.196 0.000 1.087 117 I HN 0.225 nan 8.210 nan 0.000 0.467 118 H N 2.737 121.806 119.070 -0.003 0.000 2.581 118 H HA 0.768 5.324 4.556 0.000 0.000 0.308 118 H C -0.665 174.662 175.328 -0.001 0.000 1.040 118 H CA -0.396 55.652 56.048 -0.001 0.000 1.231 118 H CB 1.467 31.234 29.762 0.008 0.000 1.396 118 H HN 0.397 nan 8.280 nan 0.000 0.467 119 A N 3.933 126.810 122.820 0.094 0.000 2.486 119 A HA 0.229 4.549 4.320 0.000 0.000 0.300 119 A C -0.382 177.229 177.584 0.044 0.000 1.048 119 A CA -0.902 51.168 52.037 0.055 0.000 0.696 119 A CB 1.421 20.437 19.000 0.026 0.000 1.278 119 A HN 0.589 nan 8.150 nan 0.000 0.405 120 D N 3.361 123.783 120.400 0.037 0.000 2.525 120 D HA 0.187 4.827 4.640 0.000 0.000 0.235 120 D C -1.728 174.584 176.300 0.020 0.000 1.137 120 D CA 0.374 54.392 54.000 0.029 0.000 0.868 120 D CB 0.756 41.571 40.800 0.024 0.000 1.180 120 D HN 0.349 nan 8.370 nan 0.000 0.465 121 P HA 0.201 nan 4.420 nan 0.000 0.272 121 P C -2.605 174.705 177.300 0.015 0.000 1.240 121 P CA -1.123 61.984 63.100 0.012 0.000 0.791 121 P CB -0.448 31.262 31.700 0.017 0.000 0.978 122 P HA 0.046 nan 4.420 nan 0.000 0.268 122 P C 0.455 177.769 177.300 0.024 0.000 1.204 122 P CA 0.072 63.176 63.100 0.007 0.000 0.768 122 P CB 0.171 31.865 31.700 -0.009 0.000 0.842 123 S N 2.610 118.330 115.700 0.033 0.000 2.617 123 S HA 0.050 4.520 4.470 0.000 0.000 0.255 123 S C 1.006 175.662 174.600 0.093 0.000 1.318 123 S CA -0.297 57.946 58.200 0.072 0.000 0.978 123 S CB -0.163 63.081 63.200 0.075 0.000 0.961 123 S HN 0.411 nan 8.310 nan 0.000 0.582 124 F N 1.374 121.327 119.950 0.005 0.000 2.075 124 F HA 0.028 4.555 4.527 0.000 0.000 0.297 124 F C 2.526 178.328 175.800 0.003 0.000 1.113 124 F CA 1.828 59.831 58.000 0.005 0.000 1.218 124 F CB -1.131 37.871 39.000 0.004 0.000 0.984 124 F HN 0.693 nan 8.300 nan 0.000 0.472 125 A N -0.017 122.874 122.820 0.119 0.000 1.940 125 A HA -0.244 4.076 4.320 0.000 0.000 0.219 125 A C 2.033 179.566 177.584 -0.086 0.000 1.176 125 A CA 2.008 54.051 52.037 0.010 0.000 0.631 125 A CB -0.954 18.104 19.000 0.096 0.000 0.814 125 A HN 0.607 nan 8.150 nan 0.000 0.446 126 E N -0.170 119.995 120.200 -0.057 0.000 2.418 126 E HA -0.047 4.303 4.350 0.000 0.000 0.197 126 E C 0.392 176.936 176.600 -0.093 0.000 1.026 126 E CA -0.069 56.296 56.400 -0.058 0.000 0.862 126 E CB 0.069 29.753 29.700 -0.026 0.000 0.799 126 E HN 0.569 nan 8.360 nan 0.000 0.518 127 Q N 0.161 119.865 119.800 -0.159 0.000 2.492 127 Q HA 0.162 4.502 4.340 0.000 0.000 0.238 127 Q C -0.328 175.582 176.000 -0.150 0.000 1.045 127 Q CA 0.407 56.110 55.803 -0.167 0.000 0.934 127 Q CB 1.617 30.203 28.738 -0.254 0.000 1.276 127 Q HN -0.061 nan 8.270 nan 0.000 0.521 128 S N 0.262 115.896 115.700 -0.110 0.000 2.653 128 S HA 0.293 4.763 4.470 0.000 0.000 0.268 128 S C -1.038 173.523 174.600 -0.064 0.000 1.153 128 S CA -0.585 57.564 58.200 -0.085 0.000 1.036 128 S CB 0.568 63.733 63.200 -0.060 0.000 1.103 128 S HN 0.589 nan 8.310 nan 0.000 0.466 129 T N 1.607 116.123 114.554 -0.063 0.000 2.875 129 T HA 0.857 5.207 4.350 0.000 0.000 0.284 129 T C -0.120 174.565 174.700 -0.026 0.000 0.995 129 T CA -0.563 61.512 62.100 -0.042 0.000 1.060 129 T CB 1.363 70.206 68.868 -0.041 0.000 0.967 129 T HN 0.959 nan 8.240 nan 0.000 0.476 130 S N 0.056 115.747 115.700 -0.016 0.000 2.547 130 S HA 0.703 5.173 4.470 0.000 0.000 0.270 130 S C -0.991 173.609 174.600 -0.000 0.000 1.150 130 S CA -1.003 57.193 58.200 -0.008 0.000 0.850 130 S CB 1.272 64.468 63.200 -0.006 0.000 1.118 130 S HN 1.452 nan 8.310 nan 0.000 0.461 131 A N 1.499 124.321 122.820 0.003 0.000 2.802 131 A HA 0.690 5.011 4.320 0.000 0.000 0.344 131 A C -0.371 177.219 177.584 0.010 0.000 1.215 131 A CA -0.520 51.523 52.037 0.009 0.000 0.821 131 A CB -0.031 18.974 19.000 0.008 0.000 1.099 131 A HN 0.724 nan 8.150 nan 0.000 0.479 132 E N 1.305 121.515 120.200 0.017 0.000 2.210 132 E HA 0.455 4.805 4.350 0.000 0.000 0.266 132 E C -1.246 175.375 176.600 0.034 0.000 0.883 132 E CA -0.829 55.583 56.400 0.020 0.000 0.761 132 E CB 2.235 31.947 29.700 0.020 0.000 1.156 132 E HN 0.548 nan 8.360 nan 0.000 0.412 133 I N 3.020 123.611 120.570 0.034 0.000 2.337 133 I HA 0.035 4.205 4.170 0.000 0.000 0.291 133 I C -0.213 175.940 176.117 0.061 0.000 1.046 133 I CA -0.452 60.880 61.300 0.054 0.000 1.324 133 I CB 0.203 38.227 38.000 0.040 0.000 1.409 133 I HN 0.339 nan 8.210 nan 0.000 0.494 134 L N 7.323 128.597 121.223 0.085 0.000 2.407 134 L HA 0.231 4.571 4.340 0.000 0.000 0.282 134 L C 0.494 177.400 176.870 0.060 0.000 1.110 134 L CA 0.308 55.197 54.840 0.082 0.000 0.863 134 L CB -0.090 42.031 42.059 0.102 0.000 1.207 134 L HN 0.626 nan 8.230 nan 0.000 0.454 135 E N 2.353 122.575 120.200 0.036 0.000 2.392 135 E HA 0.043 4.393 4.350 0.000 0.000 0.264 135 E C 0.432 177.016 176.600 -0.027 0.000 1.024 135 E CA 0.684 57.087 56.400 0.005 0.000 0.903 135 E CB 0.816 30.524 29.700 0.014 0.000 0.963 135 E HN 0.846 nan 8.360 nan 0.000 0.432 136 T N 0.358 114.863 114.554 -0.081 0.000 3.026 136 T HA 0.276 4.626 4.350 0.000 0.000 0.245 136 T C 1.312 175.941 174.700 -0.118 0.000 1.004 136 T CA 0.367 62.389 62.100 -0.128 0.000 1.069 136 T CB 0.329 69.042 68.868 -0.258 0.000 1.005 136 T HN 0.747 nan 8.240 nan 0.000 0.472 137 G N 1.762 110.508 108.800 -0.090 0.000 2.132 137 G HA2 -0.150 3.810 3.960 0.000 0.000 0.234 137 G HA3 -0.150 3.810 3.960 0.000 0.000 0.234 137 G C -0.134 174.719 174.900 -0.077 0.000 0.989 137 G CA 0.096 45.148 45.100 -0.079 0.000 0.676 137 G HN 0.702 nan 8.290 nan 0.000 0.522 138 I N -0.323 120.205 120.570 -0.070 0.000 2.436 138 I HA 0.363 4.533 4.170 0.000 0.000 0.289 138 I C 1.363 177.476 176.117 -0.007 0.000 1.010 138 I CA -1.069 60.227 61.300 -0.006 0.000 1.098 138 I CB 1.683 39.706 38.000 0.038 0.000 1.266 138 I HN -0.062 nan 8.210 nan 0.000 0.434 139 K N 3.259 123.658 120.400 -0.001 0.000 1.991 139 K HA -0.158 4.162 4.320 0.000 0.000 0.212 139 K C 1.871 178.409 176.600 -0.104 0.000 1.049 139 K CA 1.888 58.143 56.287 -0.055 0.000 0.932 139 K CB -0.168 32.309 32.500 -0.037 0.000 0.717 139 K HN 0.685 nan 8.250 nan 0.000 0.441 140 V N -0.614 119.278 119.914 -0.037 0.000 2.380 140 V HA -0.232 3.888 4.120 0.000 0.000 0.251 140 V C 2.172 178.259 176.094 -0.012 0.000 1.063 140 V CA 1.706 63.987 62.300 -0.032 0.000 1.055 140 V CB -0.976 30.879 31.823 0.053 0.000 0.657 140 V HN 0.031 nan 8.190 nan 0.000 0.455 141 V N 0.677 120.605 119.914 0.023 0.000 2.273 141 V HA -0.137 3.984 4.120 0.000 0.000 0.242 141 V C 2.421 178.495 176.094 -0.034 0.000 1.035 141 V CA 2.188 64.483 62.300 -0.007 0.000 1.013 141 V CB -0.799 30.935 31.823 -0.148 0.000 0.652 141 V HN 0.460 nan 8.190 nan 0.000 0.452 142 D N -0.331 120.037 120.400 -0.054 0.000 2.311 142 D HA -0.114 4.526 4.640 0.000 0.000 0.212 142 D C 1.630 177.925 176.300 -0.008 0.000 0.972 142 D CA 1.044 55.034 54.000 -0.017 0.000 0.887 142 D CB 0.192 40.976 40.800 -0.027 0.000 0.915 142 D HN 0.352 nan 8.370 nan 0.000 0.497 143 L N -0.866 120.304 121.223 -0.087 0.000 2.546 143 L HA 0.170 4.510 4.340 0.000 0.000 0.182 143 L C 1.931 178.756 176.870 -0.075 0.000 1.167 143 L CA 0.575 55.326 54.840 -0.148 0.000 0.845 143 L CB -0.318 41.526 42.059 -0.358 0.000 1.134 143 L HN -0.136 nan 8.230 nan 0.000 0.500 144 L N -0.042 121.124 121.223 -0.094 0.000 2.068 144 L HA 0.191 4.531 4.340 0.000 0.000 0.204 144 L C 0.683 177.558 176.870 0.008 0.000 1.076 144 L CA 0.773 55.577 54.840 -0.060 0.000 0.753 144 L CB -0.318 41.699 42.059 -0.071 0.000 0.910 144 L HN 0.322 nan 8.230 nan 0.000 0.439 145 A N -0.033 122.821 122.820 0.058 0.000 2.763 145 A HA 0.538 4.859 4.320 0.000 0.000 0.325 145 A C -2.586 175.122 177.584 0.208 0.000 1.209 145 A CA -1.190 50.924 52.037 0.128 0.000 0.764 145 A CB 0.083 19.176 19.000 0.155 0.000 1.120 145 A HN -0.119 nan 8.150 nan 0.000 0.463 146 P HA 0.208 nan 4.420 nan 0.000 0.271 146 P C -0.779 176.726 177.300 0.341 0.000 1.216 146 P CA 0.280 63.490 63.100 0.184 0.000 0.771 146 P CB 0.268 32.037 31.700 0.115 0.000 0.864 147 Y N 1.181 121.520 120.300 0.065 0.000 2.309 147 Y HA 0.423 4.973 4.550 0.000 0.000 0.327 147 Y C 1.008 176.929 175.900 0.035 0.000 1.172 147 Y CA -1.637 56.497 58.100 0.056 0.000 1.280 147 Y CB 0.038 38.540 38.460 0.070 0.000 1.234 147 Y HN 0.320 nan 8.280 nan 0.000 0.512 148 A N 4.695 127.605 122.820 0.151 0.000 2.269 148 A HA 0.425 4.745 4.320 0.000 0.000 0.302 148 A C 0.412 178.029 177.584 0.056 0.000 1.266 148 A CA -0.878 51.207 52.037 0.080 0.000 0.894 148 A CB -0.049 18.976 19.000 0.042 0.000 1.147 148 A HN 0.831 nan 8.150 nan 0.000 0.537 149 R N 2.494 123.026 120.500 0.054 0.000 2.480 149 R HA 0.312 4.652 4.340 0.000 0.000 0.303 149 R C 1.173 177.479 176.300 0.010 0.000 0.985 149 R CA 1.540 57.660 56.100 0.033 0.000 1.051 149 R CB -0.214 30.111 30.300 0.042 0.000 0.935 149 R HN 1.748 nan 8.270 nan 0.000 0.410 150 G N 2.378 111.170 108.800 -0.012 0.000 2.179 150 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 150 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 150 G C 0.356 175.236 174.900 -0.033 0.000 0.977 150 G CA 0.038 45.124 45.100 -0.023 0.000 0.641 150 G HN 0.960 nan 8.290 nan 0.000 0.533 151 G N -0.589 108.191 108.800 -0.034 0.000 2.882 151 G HA2 0.637 4.597 3.960 0.000 0.000 0.164 151 G HA3 0.637 4.597 3.960 0.000 0.000 0.164 151 G C -0.234 174.628 174.900 -0.064 0.000 1.429 151 G CA -0.194 44.885 45.100 -0.035 0.000 1.059 151 G HN 0.472 nan 8.290 nan 0.000 0.581 152 K N -0.454 119.906 120.400 -0.066 0.000 2.565 152 K HA 0.492 4.812 4.320 0.000 0.000 0.249 152 K C -1.527 174.999 176.600 -0.124 0.000 0.958 152 K CA -0.246 55.985 56.287 -0.093 0.000 0.806 152 K CB 2.130 34.597 32.500 -0.054 0.000 1.194 152 K HN 0.274 nan 8.250 nan 0.000 0.434 153 I N 1.214 121.665 120.570 -0.199 0.000 2.509 153 I HA 0.579 4.749 4.170 0.000 0.000 0.293 153 I C 0.370 176.330 176.117 -0.261 0.000 1.020 153 I CA -0.568 60.547 61.300 -0.309 0.000 1.088 153 I CB 2.263 39.887 38.000 -0.627 0.000 1.267 153 I HN 0.589 nan 8.210 nan 0.000 0.430 154 G N 5.233 113.896 108.800 -0.229 0.000 2.498 154 G HA2 0.809 4.769 3.960 0.000 0.000 0.312 154 G HA3 0.809 4.769 3.960 0.000 0.000 0.312 154 G C -1.136 173.611 174.900 -0.254 0.000 1.230 154 G CA -0.682 44.246 45.100 -0.287 0.000 0.968 154 G HN 0.489 nan 8.290 nan 0.000 0.481 155 L N 1.304 122.315 121.223 -0.353 0.000 2.417 155 L HA 0.391 4.731 4.340 0.000 0.000 0.259 155 L C -1.028 175.669 176.870 -0.288 0.000 1.023 155 L CA -0.518 54.180 54.840 -0.236 0.000 0.901 155 L CB 0.944 42.902 42.059 -0.167 0.000 1.227 155 L HN 0.301 nan 8.230 nan 0.000 0.454 156 F N 1.266 121.159 119.950 -0.095 0.000 2.412 156 F HA 0.721 5.248 4.527 0.000 0.000 0.348 156 F C 1.096 176.854 175.800 -0.069 0.000 1.102 156 F CA -0.191 57.760 58.000 -0.082 0.000 1.196 156 F CB 1.749 40.716 39.000 -0.055 0.000 1.144 156 F HN 0.433 nan 8.300 nan 0.000 0.541 157 G N 1.007 109.847 108.800 0.067 0.000 2.633 157 G HA2 0.465 4.425 3.960 0.000 0.000 0.299 157 G HA3 0.465 4.425 3.960 0.000 0.000 0.299 157 G C -0.784 174.063 174.900 -0.088 0.000 1.501 157 G CA -0.506 44.600 45.100 0.009 0.000 0.887 157 G HN 0.910 nan 8.290 nan 0.000 0.561 158 G N -0.103 108.623 108.800 -0.124 0.000 2.634 158 G HA2 0.644 4.604 3.960 0.000 0.000 0.255 158 G HA3 0.644 4.604 3.960 0.000 0.000 0.255 158 G C 0.937 175.801 174.900 -0.059 0.000 1.205 158 G CA 0.465 45.423 45.100 -0.236 0.000 0.884 158 G HN 1.902 nan 8.290 nan 0.000 0.549 159 A N -0.603 122.247 122.820 0.051 0.000 2.581 159 A HA 0.461 4.781 4.320 0.000 0.000 0.257 159 A C 1.641 179.294 177.584 0.114 0.000 1.022 159 A CA 1.425 53.603 52.037 0.234 0.000 0.812 159 A CB -0.845 18.328 19.000 0.289 0.000 0.918 159 A HN 2.692 nan 8.150 nan 0.000 0.516 160 G N 0.598 109.463 108.800 0.108 0.000 2.142 160 G HA2 -0.052 3.908 3.960 0.000 0.000 0.225 160 G HA3 -0.052 3.908 3.960 0.000 0.000 0.225 160 G C 0.558 175.503 174.900 0.075 0.000 1.015 160 G CA 0.473 45.617 45.100 0.074 0.000 0.716 160 G HN 2.304 nan 8.290 nan 0.000 0.508 161 V N -3.376 116.590 119.914 0.086 0.000 3.528 161 V HA 0.703 4.823 4.120 0.000 0.000 0.294 161 V C 1.501 177.693 176.094 0.162 0.000 1.404 161 V CA 1.055 63.425 62.300 0.116 0.000 1.065 161 V CB 0.334 32.199 31.823 0.069 0.000 0.904 161 V HN 2.146 nan 8.190 nan 0.000 0.435 162 G N 0.675 109.548 108.800 0.121 0.000 2.151 162 G HA2 -0.179 3.781 3.960 0.000 0.000 0.140 162 G HA3 -0.179 3.781 3.960 0.000 0.000 0.140 162 G C 0.560 175.578 174.900 0.196 0.000 1.020 162 G CA 0.216 45.399 45.100 0.138 0.000 0.688 162 G HN 0.423 nan 8.290 nan 0.000 0.500 163 K N -0.163 120.326 120.400 0.149 0.000 2.026 163 K HA -0.054 4.266 4.320 0.000 0.000 0.208 163 K C 2.524 179.252 176.600 0.213 0.000 1.048 163 K CA 1.926 58.307 56.287 0.156 0.000 0.929 163 K CB -0.243 32.322 32.500 0.108 0.000 0.713 163 K HN 0.326 nan 8.250 nan 0.000 0.439 164 T N 1.151 115.813 114.554 0.179 0.000 2.770 164 T HA -0.074 4.276 4.350 0.000 0.000 0.263 164 T C 2.106 176.918 174.700 0.187 0.000 1.039 164 T CA 0.898 63.109 62.100 0.186 0.000 1.142 164 T CB -0.220 68.741 68.868 0.156 0.000 0.868 164 T HN -0.082 nan 8.240 nan 0.000 0.435 165 V N 1.123 121.138 119.914 0.168 0.000 2.324 165 V HA -0.187 3.933 4.120 0.000 0.000 0.250 165 V C 2.031 178.286 176.094 0.269 0.000 1.060 165 V CA 1.729 64.137 62.300 0.180 0.000 1.042 165 V CB -0.716 31.176 31.823 0.116 0.000 0.650 165 V HN 0.377 nan 8.190 nan 0.000 0.450 166 F N -0.250 119.838 119.950 0.230 0.000 2.075 166 F HA -0.186 4.341 4.527 0.000 0.000 0.297 166 F C 2.164 178.072 175.800 0.181 0.000 1.113 166 F CA 2.018 60.196 58.000 0.297 0.000 1.218 166 F CB -0.200 38.961 39.000 0.268 0.000 0.984 166 F HN 0.037 nan 8.300 nan 0.000 0.472 167 I N -0.172 120.639 120.570 0.401 0.000 2.286 167 I HA -0.331 3.839 4.170 0.000 0.000 0.248 167 I C 2.236 178.398 176.117 0.074 0.000 1.115 167 I CA 1.441 62.915 61.300 0.290 0.000 1.392 167 I CB -0.311 37.875 38.000 0.311 0.000 1.065 167 I HN 0.273 nan 8.210 nan 0.000 0.418 168 Q N -0.071 119.755 119.800 0.044 0.000 2.124 168 Q HA -0.288 4.052 4.340 0.000 0.000 0.202 168 Q C 2.027 177.933 176.000 -0.156 0.000 0.977 168 Q CA 1.777 57.535 55.803 -0.074 0.000 0.850 168 Q CB -0.104 28.617 28.738 -0.028 0.000 0.901 168 Q HN 0.434 nan 8.270 nan 0.000 0.429 169 E N 1.024 121.109 120.200 -0.193 0.000 2.051 169 E HA -0.165 4.186 4.350 0.000 0.000 0.192 169 E C 1.753 178.134 176.600 -0.366 0.000 0.991 169 E CA 1.095 57.245 56.400 -0.415 0.000 0.799 169 E CB -0.190 28.986 29.700 -0.873 0.000 0.748 169 E HN 0.286 nan 8.360 nan 0.000 0.449 170 L N -0.090 120.981 121.223 -0.254 0.000 2.093 170 L HA -0.109 4.231 4.340 0.000 0.000 0.208 170 L C 2.464 179.264 176.870 -0.118 0.000 1.085 170 L CA 0.828 55.604 54.840 -0.108 0.000 0.755 170 L CB -0.341 41.803 42.059 0.140 0.000 0.904 170 L HN 0.208 nan 8.230 nan 0.000 0.435 171 I N -0.007 120.391 120.570 -0.285 0.000 2.179 171 I HA -0.324 3.846 4.170 0.000 0.000 0.242 171 I C 2.026 177.996 176.117 -0.245 0.000 1.088 171 I CA 1.642 62.661 61.300 -0.469 0.000 1.357 171 I CB -0.326 37.305 38.000 -0.615 0.000 1.051 171 I HN 0.288 nan 8.210 nan 0.000 0.409 172 N N 0.406 118.975 118.700 -0.218 0.000 2.573 172 N HA -0.136 4.604 4.740 0.000 0.000 0.187 172 N C 1.329 176.750 175.510 -0.148 0.000 1.107 172 N CA 0.672 53.619 53.050 -0.172 0.000 0.918 172 N CB 0.095 38.474 38.487 -0.181 0.000 0.966 172 N HN 0.255 nan 8.380 nan 0.000 0.448 173 N N -1.023 117.589 118.700 -0.145 0.000 2.499 173 N HA 0.220 4.960 4.740 0.000 0.000 0.182 173 N C 1.023 176.508 175.510 -0.041 0.000 1.034 173 N CA 0.648 53.631 53.050 -0.111 0.000 0.882 173 N CB 0.435 38.834 38.487 -0.146 0.000 1.125 173 N HN 0.212 nan 8.380 nan 0.000 0.436 174 I N -0.524 120.046 120.570 -0.000 0.000 3.194 174 I HA 0.243 4.414 4.170 0.000 0.000 0.271 174 I C 2.094 178.285 176.117 0.123 0.000 1.150 174 I CA 0.296 61.644 61.300 0.079 0.000 1.440 174 I CB -0.393 37.681 38.000 0.123 0.000 1.276 174 I HN -0.083 nan 8.210 nan 0.000 0.457 175 A N 2.743 125.625 122.820 0.102 0.000 1.909 175 A HA -0.321 3.999 4.320 0.000 0.000 0.221 175 A C 2.281 179.934 177.584 0.116 0.000 1.223 175 A CA 2.853 54.973 52.037 0.138 0.000 0.658 175 A CB -0.767 18.239 19.000 0.010 0.000 0.831 175 A HN 0.528 nan 8.150 nan 0.000 0.462 176 K N -0.485 119.943 120.400 0.046 0.000 2.062 176 K HA 0.230 4.550 4.320 0.000 0.000 0.205 176 K C 2.106 178.723 176.600 0.028 0.000 1.051 176 K CA 1.107 57.410 56.287 0.027 0.000 0.941 176 K CB -0.326 32.170 32.500 -0.006 0.000 0.719 176 K HN 0.367 nan 8.250 nan 0.000 0.440 177 A N 1.472 124.316 122.820 0.039 0.000 2.072 177 A HA -0.108 4.212 4.320 0.000 0.000 0.216 177 A C 1.995 179.611 177.584 0.053 0.000 1.156 177 A CA 1.191 53.246 52.037 0.029 0.000 0.701 177 A CB -0.675 18.337 19.000 0.021 0.000 0.816 177 A HN 0.449 nan 8.150 nan 0.000 0.458 178 H N 0.292 119.364 119.070 0.003 0.000 2.290 178 H HA 0.183 4.739 4.556 0.000 0.000 0.298 178 H C 1.064 176.373 175.328 -0.031 0.000 1.087 178 H CA 1.386 57.437 56.048 0.004 0.000 1.291 178 H CB -0.583 29.202 29.762 0.040 0.000 1.369 178 H HN 0.870 nan 8.280 nan 0.000 0.492 179 G N -1.432 107.197 108.800 -0.286 0.000 2.862 179 G HA2 0.358 4.318 3.960 0.000 0.000 0.686 179 G HA3 0.358 4.318 3.960 0.000 0.000 0.686 179 G C 0.552 175.074 174.900 -0.629 0.000 1.134 179 G CA 0.494 45.359 45.100 -0.392 0.000 0.791 179 G HN 1.467 nan 8.290 nan 0.000 0.592 180 G N 0.698 109.189 108.800 -0.516 0.000 2.516 180 G HA2 0.366 4.326 3.960 0.000 0.000 0.220 180 G HA3 0.366 4.326 3.960 0.000 0.000 0.220 180 G C -0.223 174.269 174.900 -0.679 0.000 1.165 180 G CA 0.417 45.164 45.100 -0.588 0.000 1.013 180 G HN 1.864 nan 8.290 nan 0.000 0.590 181 F N 0.279 120.209 119.950 -0.035 0.000 2.664 181 F HA 0.875 5.402 4.527 0.000 0.000 0.329 181 F C 0.572 176.346 175.800 -0.043 0.000 1.090 181 F CA -0.382 57.535 58.000 -0.139 0.000 0.978 181 F CB 2.109 40.794 39.000 -0.524 0.000 1.378 181 F HN 0.613 nan 8.300 nan 0.000 0.495 182 S N -0.046 115.755 115.700 0.169 0.000 2.556 182 S HA 0.812 5.282 4.470 0.000 0.000 0.271 182 S C -1.773 172.889 174.600 0.104 0.000 1.135 182 S CA -0.682 57.620 58.200 0.171 0.000 0.858 182 S CB 2.404 65.797 63.200 0.322 0.000 1.114 182 S HN 0.311 nan 8.310 nan 0.000 0.468 183 V N 2.710 122.708 119.914 0.139 0.000 2.612 183 V HA 0.489 4.609 4.120 0.000 0.000 0.301 183 V C -1.514 174.700 176.094 0.199 0.000 1.059 183 V CA -0.568 61.803 62.300 0.118 0.000 0.886 183 V CB 1.450 33.297 31.823 0.040 0.000 1.007 183 V HN 0.844 nan 8.190 nan 0.000 0.426 184 F N 3.648 123.625 119.950 0.044 0.000 2.402 184 F HA 0.662 5.189 4.527 0.000 0.000 0.355 184 F C 0.344 176.025 175.800 -0.199 0.000 1.123 184 F CA 0.022 58.020 58.000 -0.004 0.000 1.021 184 F CB 1.617 40.618 39.000 0.002 0.000 1.160 184 F HN 0.457 nan 8.300 nan 0.000 0.451 185 T N 5.208 119.387 114.554 -0.624 0.000 2.842 185 T HA 0.414 4.764 4.350 0.000 0.000 0.308 185 T C 0.281 174.536 174.700 -0.742 0.000 1.041 185 T CA -0.625 61.139 62.100 -0.559 0.000 0.964 185 T CB 0.908 69.572 68.868 -0.340 0.000 0.972 185 T HN 0.844 nan 8.240 nan 0.000 0.460 186 G N 2.045 110.426 108.800 -0.698 0.000 2.364 186 G HA2 0.483 4.443 3.960 0.000 0.000 0.267 186 G HA3 0.483 4.443 3.960 0.000 0.000 0.267 186 G C -0.488 174.336 174.900 -0.126 0.000 1.233 186 G CA -0.266 44.661 45.100 -0.288 0.000 0.885 186 G HN 0.636 nan 8.290 nan 0.000 0.490 187 V N 2.431 122.307 119.914 -0.064 0.000 2.407 187 V HA 0.618 4.738 4.120 0.000 0.000 0.291 187 V C 0.981 177.106 176.094 0.053 0.000 1.018 187 V CA 0.254 62.552 62.300 -0.002 0.000 0.842 187 V CB 1.038 32.850 31.823 -0.019 0.000 0.996 187 V HN 1.498 nan 8.190 nan 0.000 0.426 188 G N 3.377 112.219 108.800 0.069 0.000 2.356 188 G HA2 -0.181 3.779 3.960 0.000 0.000 0.296 188 G HA3 -0.181 3.779 3.960 0.000 0.000 0.296 188 G C 0.028 174.969 174.900 0.068 0.000 1.022 188 G CA 0.466 45.605 45.100 0.065 0.000 0.961 188 G HN 0.598 nan 8.290 nan 0.000 0.510 189 E N -1.032 119.228 120.200 0.100 0.000 2.370 189 E HA 0.435 4.785 4.350 0.000 0.000 0.259 189 E C 0.674 177.343 176.600 0.115 0.000 0.947 189 E CA -1.154 55.310 56.400 0.106 0.000 0.809 189 E CB 0.857 30.641 29.700 0.141 0.000 1.300 189 E HN 0.345 nan 8.360 nan 0.000 0.419 190 R N 0.280 120.844 120.500 0.106 0.000 2.484 190 R HA 0.090 4.430 4.340 0.000 0.000 0.293 190 R C 1.026 177.381 176.300 0.093 0.000 1.023 190 R CA 0.312 56.463 56.100 0.084 0.000 1.037 190 R CB 0.219 30.563 30.300 0.074 0.000 0.951 190 R HN 0.408 nan 8.270 nan 0.000 0.418 191 T N 2.355 116.936 114.554 0.045 0.000 2.904 191 T HA -0.114 4.236 4.350 0.000 0.000 0.267 191 T C 1.773 176.444 174.700 -0.050 0.000 1.059 191 T CA 0.829 62.916 62.100 -0.022 0.000 1.137 191 T CB -0.091 68.752 68.868 -0.042 0.000 0.879 191 T HN 0.515 nan 8.240 nan 0.000 0.467 192 R N 1.249 121.745 120.500 -0.007 0.000 2.119 192 R HA -0.165 4.175 4.340 0.000 0.000 0.246 192 R C 1.972 178.278 176.300 0.009 0.000 1.146 192 R CA 1.758 57.858 56.100 -0.001 0.000 0.962 192 R CB -0.137 30.175 30.300 0.020 0.000 0.863 192 R HN 0.511 nan 8.270 nan 0.000 0.442 193 E N -1.432 118.796 120.200 0.047 0.000 2.347 193 E HA -0.075 4.275 4.350 0.000 0.000 0.196 193 E C 1.717 178.364 176.600 0.079 0.000 1.008 193 E CA 0.690 57.139 56.400 0.082 0.000 0.852 193 E CB 0.054 29.839 29.700 0.142 0.000 0.783 193 E HN 0.564 nan 8.360 nan 0.000 0.505 194 G N 1.777 110.566 108.800 -0.018 0.000 2.404 194 G HA2 -0.285 3.675 3.960 0.000 0.000 0.213 194 G HA3 -0.285 3.675 3.960 0.000 0.000 0.213 194 G C 1.343 176.116 174.900 -0.212 0.000 1.189 194 G CA 0.607 45.530 45.100 -0.296 0.000 0.796 194 G HN 0.255 nan 8.290 nan 0.000 0.532 195 N N 1.045 119.645 118.700 -0.167 0.000 2.049 195 N HA -0.225 4.516 4.740 0.000 0.000 0.198 195 N C 1.647 177.157 175.510 0.001 0.000 1.030 195 N CA 2.061 55.076 53.050 -0.058 0.000 0.870 195 N CB -0.371 38.088 38.487 -0.047 0.000 1.045 195 N HN 0.138 nan 8.380 nan 0.000 0.434 196 D N 0.208 120.607 120.400 -0.002 0.000 2.123 196 D HA -0.111 4.529 4.640 0.000 0.000 0.196 196 D C 1.902 178.203 176.300 0.000 0.000 0.992 196 D CA 0.576 54.580 54.000 0.007 0.000 0.833 196 D CB -0.230 40.583 40.800 0.021 0.000 0.954 196 D HN 0.254 nan 8.370 nan 0.000 0.455 197 L N -0.699 120.527 121.223 0.005 0.000 2.095 197 L HA -0.086 4.254 4.340 0.000 0.000 0.204 197 L C 1.949 178.841 176.870 0.037 0.000 1.080 197 L CA 1.296 56.118 54.840 -0.029 0.000 0.759 197 L CB -0.582 41.416 42.059 -0.101 0.000 0.914 197 L HN 0.055 nan 8.230 nan 0.000 0.439 198 Y N 0.527 120.790 120.300 -0.062 0.000 2.224 198 Y HA -0.254 4.296 4.550 0.000 0.000 0.289 198 Y C 2.870 178.743 175.900 -0.045 0.000 1.146 198 Y CA 1.999 60.074 58.100 -0.042 0.000 1.182 198 Y CB -0.299 38.130 38.460 -0.051 0.000 0.983 198 Y HN 0.221 nan 8.280 nan 0.000 0.524 199 R N 0.043 120.526 120.500 -0.028 0.000 2.073 199 R HA -0.224 4.116 4.340 0.000 0.000 0.234 199 R C 2.138 178.372 176.300 -0.111 0.000 1.134 199 R CA 2.052 58.093 56.100 -0.098 0.000 0.952 199 R CB -0.334 29.940 30.300 -0.044 0.000 0.850 199 R HN 0.280 nan 8.270 nan 0.000 0.433 200 E N -0.043 120.109 120.200 -0.079 0.000 2.107 200 E HA -0.095 4.255 4.350 0.000 0.000 0.191 200 E C 1.960 178.502 176.600 -0.095 0.000 0.982 200 E CA 1.236 57.587 56.400 -0.082 0.000 0.809 200 E CB 0.059 29.715 29.700 -0.073 0.000 0.756 200 E HN 0.262 nan 8.360 nan 0.000 0.459 201 M N 0.174 119.715 119.600 -0.097 0.000 2.149 201 M HA -0.161 4.319 4.480 0.000 0.000 0.261 201 M C 1.959 178.196 176.300 -0.105 0.000 1.064 201 M CA 1.564 56.812 55.300 -0.087 0.000 1.102 201 M CB -0.603 31.973 32.600 -0.039 0.000 1.369 201 M HN 0.014 nan 8.290 nan 0.000 0.408 202 K N 0.116 120.416 120.400 -0.166 0.000 2.062 202 K HA -0.105 4.216 4.320 0.000 0.000 0.205 202 K C 1.875 178.408 176.600 -0.112 0.000 1.051 202 K CA 1.036 57.223 56.287 -0.167 0.000 0.941 202 K CB -0.028 32.319 32.500 -0.256 0.000 0.719 202 K HN 0.330 nan 8.250 nan 0.000 0.440 203 E N -0.372 119.765 120.200 -0.105 0.000 2.347 203 E HA -0.096 4.254 4.350 0.000 0.000 0.196 203 E C 1.395 177.955 176.600 -0.066 0.000 1.008 203 E CA 1.416 57.769 56.400 -0.079 0.000 0.852 203 E CB 0.221 29.876 29.700 -0.074 0.000 0.783 203 E HN 0.419 nan 8.360 nan 0.000 0.505 204 T N -3.655 110.858 114.554 -0.068 0.000 3.044 204 T HA 0.216 4.567 4.350 0.000 0.000 0.250 204 T C 1.390 176.062 174.700 -0.047 0.000 1.081 204 T CA 0.197 62.262 62.100 -0.058 0.000 1.040 204 T CB 0.641 69.471 68.868 -0.064 0.000 0.962 204 T HN 0.162 nan 8.240 nan 0.000 0.506 205 G N 0.815 109.586 108.800 -0.048 0.000 2.291 205 G HA2 -0.190 3.770 3.960 0.000 0.000 0.271 205 G HA3 -0.190 3.770 3.960 0.000 0.000 0.271 205 G C 0.423 175.313 174.900 -0.018 0.000 1.099 205 G CA 0.017 45.097 45.100 -0.034 0.000 0.919 205 G HN 0.677 nan 8.290 nan 0.000 0.496 206 V N -1.144 118.760 119.914 -0.016 0.000 3.570 206 V HA 0.397 4.517 4.120 0.000 0.000 0.257 206 V C 1.273 177.385 176.094 0.030 0.000 1.272 206 V CA 0.579 62.885 62.300 0.011 0.000 1.079 206 V CB 0.419 32.246 31.823 0.008 0.000 0.829 206 V HN 0.456 nan 8.190 nan 0.000 0.454 207 I N 1.928 122.502 120.570 0.006 0.000 2.354 207 I HA 0.349 4.519 4.170 0.000 0.000 0.286 207 I C -0.480 175.627 176.117 -0.017 0.000 1.007 207 I CA 0.053 61.363 61.300 0.016 0.000 1.167 207 I CB 1.190 39.204 38.000 0.024 0.000 1.320 207 I HN 0.153 nan 8.210 nan 0.000 0.458 208 N N 5.675 124.381 118.700 0.009 0.000 2.476 208 N HA 0.378 5.118 4.740 0.000 0.000 0.257 208 N C 0.822 176.337 175.510 0.008 0.000 0.970 208 N CA -0.451 52.597 53.050 -0.002 0.000 0.938 208 N CB 1.264 39.757 38.487 0.010 0.000 1.144 208 N HN 0.557 nan 8.380 nan 0.000 0.500 209 L N 2.437 123.654 121.223 -0.010 0.000 2.044 209 L HA -0.049 4.291 4.340 0.000 0.000 0.205 209 L C 2.862 179.739 176.870 0.011 0.000 1.075 209 L CA 1.543 56.387 54.840 0.007 0.000 0.747 209 L CB -0.708 41.347 42.059 -0.007 0.000 0.903 209 L HN 0.651 nan 8.230 nan 0.000 0.435 210 E N 0.720 120.920 120.200 0.000 0.000 2.007 210 E HA -0.036 4.314 4.350 0.000 0.000 0.194 210 E C 1.695 178.301 176.600 0.011 0.000 0.999 210 E CA 1.290 57.692 56.400 0.004 0.000 0.811 210 E CB -1.338 28.360 29.700 -0.003 0.000 0.762 210 E HN 0.524 nan 8.360 nan 0.000 0.450 211 G N -0.707 108.099 108.800 0.010 0.000 2.803 211 G HA2 0.451 4.411 3.960 0.000 0.000 0.177 211 G HA3 0.451 4.411 3.960 0.000 0.000 0.177 211 G C 0.447 175.365 174.900 0.031 0.000 1.629 211 G CA 0.894 46.005 45.100 0.019 0.000 1.077 211 G HN 0.927 nan 8.290 nan 0.000 0.556 212 E N -1.556 118.669 120.200 0.041 0.000 2.299 212 E HA 0.703 5.053 4.350 0.000 0.000 0.265 212 E C -0.554 176.090 176.600 0.073 0.000 0.911 212 E CA -0.685 55.752 56.400 0.062 0.000 0.789 212 E CB 1.648 31.395 29.700 0.078 0.000 1.246 212 E HN 0.567 nan 8.360 nan 0.000 0.427 213 S N 0.058 115.815 115.700 0.095 0.000 2.718 213 S HA 0.545 5.015 4.470 0.000 0.000 0.300 213 S C 0.288 174.993 174.600 0.174 0.000 1.117 213 S CA -0.722 57.541 58.200 0.105 0.000 1.002 213 S CB 1.297 64.552 63.200 0.092 0.000 1.092 213 S HN 0.499 nan 8.310 nan 0.000 0.542 214 K N 0.575 121.077 120.400 0.169 0.000 2.438 214 K HA 0.382 4.702 4.320 0.000 0.000 0.205 214 K C -0.877 175.865 176.600 0.237 0.000 1.033 214 K CA 0.157 56.601 56.287 0.261 0.000 1.089 214 K CB 1.082 33.672 32.500 0.149 0.000 0.857 214 K HN 0.315 nan 8.250 nan 0.000 0.522 215 V N 0.236 120.239 119.914 0.148 0.000 2.851 215 V HA 0.645 4.765 4.120 0.000 0.000 0.307 215 V C -1.727 174.420 176.094 0.089 0.000 1.129 215 V CA -0.741 61.630 62.300 0.120 0.000 0.932 215 V CB 1.877 33.782 31.823 0.137 0.000 1.024 215 V HN 0.156 nan 8.190 nan 0.000 0.426 216 A N 6.752 129.613 122.820 0.068 0.000 2.303 216 A HA 0.898 5.218 4.320 0.000 0.000 0.317 216 A C -0.976 176.682 177.584 0.125 0.000 1.149 216 A CA -0.642 51.445 52.037 0.083 0.000 0.822 216 A CB 0.963 20.003 19.000 0.066 0.000 1.131 216 A HN 0.907 nan 8.150 nan 0.000 0.493 217 L N 2.271 123.573 121.223 0.132 0.000 2.346 217 L HA 0.627 4.967 4.340 0.000 0.000 0.276 217 L C -1.052 175.876 176.870 0.095 0.000 1.006 217 L CA -0.833 54.102 54.840 0.158 0.000 0.817 217 L CB 1.903 44.132 42.059 0.283 0.000 1.272 217 L HN 0.436 nan 8.230 nan 0.000 0.421 218 V N 3.097 122.972 119.914 -0.064 0.000 2.638 218 V HA 0.536 4.656 4.120 0.000 0.000 0.306 218 V C -0.979 174.910 176.094 -0.342 0.000 1.052 218 V CA -0.513 61.733 62.300 -0.091 0.000 0.885 218 V CB 2.147 33.912 31.823 -0.096 0.000 0.999 218 V HN 0.420 nan 8.190 nan 0.000 0.424 219 F N 1.598 121.568 119.950 0.034 0.000 2.565 219 F HA 0.821 5.348 4.527 0.000 0.000 0.313 219 F C 0.519 176.329 175.800 0.017 0.000 1.091 219 F CA -0.578 57.444 58.000 0.037 0.000 0.915 219 F CB 2.753 41.776 39.000 0.038 0.000 1.208 219 F HN 0.585 nan 8.300 nan 0.000 0.453 220 G N 3.325 112.241 108.800 0.194 0.000 2.919 220 G HA2 0.391 4.351 3.960 0.000 0.000 0.303 220 G HA3 0.391 4.351 3.960 0.000 0.000 0.303 220 G C -1.259 173.716 174.900 0.125 0.000 1.611 220 G CA -0.513 44.660 45.100 0.122 0.000 0.876 220 G HN 0.309 nan 8.290 nan 0.000 0.481 221 Q N 1.189 121.076 119.800 0.144 0.000 2.239 221 Q HA 0.343 4.683 4.340 0.000 0.000 0.193 221 Q C 1.943 177.990 176.000 0.079 0.000 1.004 221 Q CA -0.909 54.974 55.803 0.134 0.000 1.040 221 Q CB 0.941 29.776 28.738 0.162 0.000 1.149 221 Q HN 0.731 nan 8.270 nan 0.000 0.535 222 M N -0.250 119.389 119.600 0.066 0.000 2.700 222 M HA -0.042 4.438 4.480 0.000 0.000 0.249 222 M C 0.525 176.843 176.300 0.030 0.000 1.082 222 M CA 1.185 56.509 55.300 0.040 0.000 1.077 222 M CB -0.395 32.223 32.600 0.029 0.000 1.477 222 M HN 0.341 nan 8.290 nan 0.000 0.529 223 N N 0.121 118.841 118.700 0.032 0.000 2.356 223 N HA 0.060 4.800 4.740 0.000 0.000 0.178 223 N C -0.030 175.494 175.510 0.022 0.000 1.075 223 N CA 0.274 53.338 53.050 0.023 0.000 0.889 223 N CB -0.133 38.365 38.487 0.018 0.000 0.999 223 N HN 0.426 nan 8.380 nan 0.000 0.464 224 E N 1.566 121.785 120.200 0.030 0.000 2.383 224 E HA 0.289 4.639 4.350 0.000 0.000 0.264 224 E C -2.221 174.392 176.600 0.022 0.000 1.050 224 E CA -1.750 54.668 56.400 0.029 0.000 0.896 224 E CB 0.584 30.308 29.700 0.040 0.000 0.982 224 E HN 0.154 nan 8.360 nan 0.000 0.424 225 P HA -0.046 nan 4.420 nan 0.000 0.271 225 P C -2.059 175.248 177.300 0.012 0.000 1.238 225 P CA -0.684 62.423 63.100 0.013 0.000 0.794 225 P CB 0.109 31.816 31.700 0.013 0.000 0.959 226 P HA -0.148 nan 4.420 nan 0.000 0.217 226 P C 1.472 178.773 177.300 0.002 0.000 1.150 226 P CA 1.914 65.011 63.100 -0.005 0.000 0.832 226 P CB -0.574 31.116 31.700 -0.017 0.000 0.787 227 G N 0.322 109.128 108.800 0.011 0.000 2.422 227 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 227 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 227 G C 1.761 176.683 174.900 0.037 0.000 1.146 227 G CA 0.973 46.087 45.100 0.024 0.000 0.769 227 G HN 0.373 nan 8.290 nan 0.000 0.547 228 A N 0.781 123.621 122.820 0.033 0.000 1.874 228 A HA 0.122 4.442 4.320 0.000 0.000 0.214 228 A C 2.400 180.012 177.584 0.046 0.000 1.189 228 A CA 1.269 53.329 52.037 0.039 0.000 0.615 228 A CB -0.338 18.683 19.000 0.035 0.000 0.830 228 A HN 0.300 nan 8.150 nan 0.000 0.443 229 R N -0.280 120.246 120.500 0.042 0.000 2.127 229 R HA -0.127 4.213 4.340 0.000 0.000 0.238 229 R C 2.383 178.730 176.300 0.078 0.000 1.134 229 R CA 1.160 57.289 56.100 0.049 0.000 0.975 229 R CB -0.429 29.889 30.300 0.031 0.000 0.865 229 R HN 0.538 nan 8.270 nan 0.000 0.447 230 A N 1.160 124.022 122.820 0.070 0.000 1.832 230 A HA -0.100 4.220 4.320 0.000 0.000 0.214 230 A C 1.925 179.659 177.584 0.250 0.000 1.200 230 A CA 0.984 53.094 52.037 0.121 0.000 0.610 230 A CB -0.202 18.814 19.000 0.026 0.000 0.842 230 A HN 0.090 nan 8.150 nan 0.000 0.444 231 R N -0.301 120.284 120.500 0.143 0.000 2.307 231 R HA 0.026 4.367 4.340 0.000 0.000 0.199 231 R C 1.753 178.065 176.300 0.020 0.000 1.000 231 R CA 0.823 56.983 56.100 0.100 0.000 1.023 231 R CB -1.002 29.346 30.300 0.079 0.000 0.908 231 R HN 0.424 nan 8.270 nan 0.000 0.473 232 V N 0.977 120.909 119.914 0.030 0.000 2.667 232 V HA -0.114 4.006 4.120 0.000 0.000 0.252 232 V C 2.127 178.173 176.094 -0.080 0.000 1.065 232 V CA 1.680 63.969 62.300 -0.018 0.000 1.083 232 V CB -0.235 31.591 31.823 0.005 0.000 0.692 232 V HN 0.298 nan 8.190 nan 0.000 0.468 233 A N -0.075 122.682 122.820 -0.105 0.000 1.930 233 A HA -0.092 4.228 4.320 0.000 0.000 0.217 233 A C 2.090 179.527 177.584 -0.245 0.000 1.175 233 A CA 1.848 53.755 52.037 -0.216 0.000 0.627 233 A CB -0.460 18.337 19.000 -0.340 0.000 0.815 233 A HN 0.574 nan 8.150 nan 0.000 0.443 234 L N -1.029 120.050 121.223 -0.240 0.000 2.046 234 L HA -0.147 4.193 4.340 0.000 0.000 0.208 234 L C 2.715 179.478 176.870 -0.179 0.000 1.077 234 L CA 1.725 56.423 54.840 -0.237 0.000 0.747 234 L CB -1.407 40.480 42.059 -0.285 0.000 0.896 234 L HN 0.288 nan 8.230 nan 0.000 0.432 235 T N 0.272 114.739 114.554 -0.145 0.000 2.665 235 T HA -0.165 4.185 4.350 0.000 0.000 0.268 235 T C 1.854 176.503 174.700 -0.085 0.000 1.035 235 T CA 1.639 63.678 62.100 -0.102 0.000 1.151 235 T CB -0.529 68.296 68.868 -0.072 0.000 0.862 235 T HN 0.596 nan 8.240 nan 0.000 0.438 236 G N 0.939 109.677 108.800 -0.104 0.000 2.422 236 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 236 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 236 G C 1.518 176.372 174.900 -0.076 0.000 1.146 236 G CA 0.744 45.787 45.100 -0.095 0.000 0.769 236 G HN 0.418 nan 8.290 nan 0.000 0.547 237 L N 0.960 122.118 121.223 -0.109 0.000 2.005 237 L HA 0.022 4.363 4.340 0.000 0.000 0.207 237 L C 2.918 179.766 176.870 -0.037 0.000 1.072 237 L CA 2.544 57.330 54.840 -0.091 0.000 0.744 237 L CB -1.063 40.912 42.059 -0.139 0.000 0.895 237 L HN 0.169 nan 8.230 nan 0.000 0.433 238 T N 0.206 114.729 114.554 -0.052 0.000 2.737 238 T HA -0.223 4.127 4.350 0.000 0.000 0.269 238 T C 1.931 176.647 174.700 0.027 0.000 1.040 238 T CA 2.146 64.233 62.100 -0.022 0.000 1.142 238 T CB -0.429 68.409 68.868 -0.051 0.000 0.861 238 T HN 0.335 nan 8.240 nan 0.000 0.456 239 I N 1.243 121.834 120.570 0.035 0.000 2.133 239 I HA -0.138 4.032 4.170 0.000 0.000 0.238 239 I C 2.936 179.220 176.117 0.279 0.000 1.074 239 I CA 1.161 62.527 61.300 0.110 0.000 1.342 239 I CB -0.560 37.513 38.000 0.121 0.000 1.053 239 I HN 0.167 nan 8.210 nan 0.000 0.404 240 A N 0.022 122.971 122.820 0.215 0.000 2.084 240 A HA -0.236 4.084 4.320 0.000 0.000 0.221 240 A C 2.157 179.877 177.584 0.228 0.000 1.161 240 A CA 1.774 53.949 52.037 0.229 0.000 0.653 240 A CB -0.603 18.432 19.000 0.057 0.000 0.802 240 A HN 0.518 nan 8.150 nan 0.000 0.457 241 E N -2.372 117.919 120.200 0.153 0.000 2.190 241 E HA -0.063 4.287 4.350 0.000 0.000 0.191 241 E C 1.657 178.312 176.600 0.092 0.000 0.978 241 E CA 0.555 57.011 56.400 0.094 0.000 0.839 241 E CB -0.156 29.567 29.700 0.038 0.000 0.787 241 E HN 0.808 nan 8.360 nan 0.000 0.473 242 Y N 0.280 120.561 120.300 -0.031 0.000 2.242 242 Y HA -0.230 4.320 4.550 0.000 0.000 0.291 242 Y C 1.638 177.440 175.900 -0.164 0.000 1.137 242 Y CA 1.483 59.489 58.100 -0.156 0.000 1.181 242 Y CB -0.112 38.162 38.460 -0.310 0.000 0.989 242 Y HN -0.049 nan 8.280 nan 0.000 0.527 243 F N 0.048 120.080 119.950 0.137 0.000 2.134 243 F HA -0.148 4.379 4.527 0.000 0.000 0.299 243 F C 2.731 178.550 175.800 0.031 0.000 1.097 243 F CA 1.854 59.922 58.000 0.113 0.000 1.264 243 F CB -0.650 38.467 39.000 0.195 0.000 1.001 243 F HN -0.065 nan 8.300 nan 0.000 0.479 244 R N 0.524 121.139 120.500 0.192 0.000 2.066 244 R HA -0.144 4.196 4.340 0.000 0.000 0.232 244 R C 1.508 177.802 176.300 -0.010 0.000 1.131 244 R CA 2.075 58.225 56.100 0.083 0.000 0.955 244 R CB -0.341 29.995 30.300 0.060 0.000 0.851 244 R HN 0.175 nan 8.270 nan 0.000 0.432 245 D N -0.237 120.114 120.400 -0.082 0.000 2.240 245 D HA -0.063 4.577 4.640 0.000 0.000 0.206 245 D C 1.524 177.697 176.300 -0.211 0.000 0.963 245 D CA 0.874 54.796 54.000 -0.130 0.000 0.863 245 D CB 0.210 40.937 40.800 -0.122 0.000 0.973 245 D HN 0.328 nan 8.370 nan 0.000 0.501 246 E N 0.359 120.325 120.200 -0.391 0.000 2.330 246 E HA 0.079 4.429 4.350 0.000 0.000 0.200 246 E C 1.203 177.638 176.600 -0.275 0.000 0.922 246 E CA 0.224 56.348 56.400 -0.460 0.000 0.935 246 E CB 0.293 29.397 29.700 -0.994 0.000 0.917 246 E HN 0.320 nan 8.360 nan 0.000 0.491 247 E N 0.598 120.680 120.200 -0.197 0.000 2.481 247 E HA 0.148 4.498 4.350 0.000 0.000 0.198 247 E C 0.234 176.869 176.600 0.058 0.000 1.027 247 E CA 0.080 56.485 56.400 0.008 0.000 0.900 247 E CB 0.605 30.409 29.700 0.172 0.000 0.993 247 E HN 0.225 nan 8.360 nan 0.000 0.482 248 G N 2.825 111.633 108.800 0.014 0.000 2.386 248 G HA2 -0.300 3.660 3.960 0.000 0.000 0.295 248 G HA3 -0.300 3.660 3.960 0.000 0.000 0.295 248 G C -0.077 174.857 174.900 0.056 0.000 0.979 248 G CA 0.623 45.737 45.100 0.022 0.000 1.193 248 G HN 0.184 nan 8.290 nan 0.000 0.508 249 Q N -0.507 119.356 119.800 0.105 0.000 2.351 249 Q HA 0.320 4.660 4.340 0.000 0.000 0.273 249 Q C -0.844 175.215 176.000 0.097 0.000 1.077 249 Q CA -0.999 54.870 55.803 0.111 0.000 0.843 249 Q CB 1.547 30.413 28.738 0.214 0.000 1.367 249 Q HN 0.285 nan 8.270 nan 0.000 0.449 250 D N 1.939 122.384 120.400 0.075 0.000 2.374 250 D HA 0.167 4.807 4.640 0.000 0.000 0.240 250 D C -0.474 175.946 176.300 0.201 0.000 1.229 250 D CA 0.118 54.191 54.000 0.121 0.000 0.895 250 D CB 0.629 41.514 40.800 0.141 0.000 1.046 250 D HN 0.104 nan 8.370 nan 0.000 0.498 251 V N 2.824 122.813 119.914 0.125 0.000 2.567 251 V HA 0.373 4.493 4.120 0.000 0.000 0.289 251 V C 0.653 176.719 176.094 -0.047 0.000 1.049 251 V CA -0.867 61.484 62.300 0.084 0.000 0.969 251 V CB 1.468 33.339 31.823 0.079 0.000 0.995 251 V HN 0.268 nan 8.190 nan 0.000 0.471 252 L N 4.442 125.589 121.223 -0.127 0.000 2.331 252 L HA 0.656 4.996 4.340 0.000 0.000 0.275 252 L C -0.709 175.927 176.870 -0.390 0.000 1.022 252 L CA -0.654 53.959 54.840 -0.379 0.000 0.812 252 L CB 1.675 43.432 42.059 -0.504 0.000 1.257 252 L HN 0.503 nan 8.230 nan 0.000 0.435 253 L N 3.015 123.893 121.223 -0.575 0.000 2.485 253 L HA 0.503 4.843 4.340 0.000 0.000 0.260 253 L C -1.349 175.232 176.870 -0.482 0.000 0.998 253 L CA 0.120 54.728 54.840 -0.388 0.000 0.883 253 L CB 0.781 42.697 42.059 -0.238 0.000 1.196 253 L HN 0.201 nan 8.230 nan 0.000 0.443 254 F N 5.535 125.438 119.950 -0.078 0.000 2.411 254 F HA 0.568 5.096 4.527 0.000 0.000 0.350 254 F C 0.270 175.821 175.800 -0.415 0.000 1.114 254 F CA -0.351 57.580 58.000 -0.114 0.000 1.135 254 F CB 0.999 40.087 39.000 0.146 0.000 1.120 254 F HN 0.219 nan 8.300 nan 0.000 0.495 255 I N 2.923 123.354 120.570 -0.231 0.000 2.466 255 I HA 0.299 4.469 4.170 0.000 0.000 0.289 255 I C -1.303 174.647 176.117 -0.278 0.000 1.026 255 I CA -0.550 60.526 61.300 -0.374 0.000 1.078 255 I CB 2.083 39.922 38.000 -0.268 0.000 1.249 255 I HN 0.465 nan 8.210 nan 0.000 0.429 256 D N 6.148 126.342 120.400 -0.343 0.000 2.478 256 D HA 0.258 4.898 4.640 0.000 0.000 0.240 256 D C -1.450 174.825 176.300 -0.042 0.000 1.364 256 D CA -0.320 53.624 54.000 -0.094 0.000 0.987 256 D CB 1.203 42.047 40.800 0.073 0.000 1.328 256 D HN 0.385 nan 8.370 nan 0.000 0.584 257 N N 3.849 122.554 118.700 0.009 0.000 2.272 257 N HA 0.255 4.995 4.740 0.000 0.000 0.305 257 N C 0.303 175.843 175.510 0.049 0.000 1.103 257 N CA -0.521 52.554 53.050 0.041 0.000 0.791 257 N CB 1.868 40.428 38.487 0.121 0.000 1.356 257 N HN 0.366 nan 8.380 nan 0.000 0.486 258 I N 2.909 123.496 120.570 0.029 0.000 2.617 258 I HA 0.021 4.191 4.170 0.000 0.000 0.256 258 I C 1.736 177.946 176.117 0.154 0.000 1.167 258 I CA 0.494 61.815 61.300 0.036 0.000 1.469 258 I CB -0.457 37.506 38.000 -0.063 0.000 1.098 258 I HN 0.618 nan 8.210 nan 0.000 0.436 259 F N 1.587 121.571 119.950 0.057 0.000 2.161 259 F HA -0.242 4.285 4.527 0.000 0.000 0.300 259 F C 2.302 178.180 175.800 0.129 0.000 1.089 259 F CA 1.532 59.601 58.000 0.114 0.000 1.282 259 F CB -0.319 38.791 39.000 0.184 0.000 1.010 259 F HN -0.044 nan 8.300 nan 0.000 0.485 260 R N 0.075 120.637 120.500 0.104 0.000 2.159 260 R HA -0.208 4.132 4.340 0.000 0.000 0.237 260 R C 2.156 178.414 176.300 -0.071 0.000 1.131 260 R CA 1.447 57.538 56.100 -0.015 0.000 0.982 260 R CB -1.780 28.576 30.300 0.093 0.000 0.868 260 R HN 0.512 nan 8.270 nan 0.000 0.453 261 F N 2.275 122.145 119.950 -0.134 0.000 2.102 261 F HA -0.216 4.311 4.527 0.000 0.000 0.298 261 F C 2.176 177.898 175.800 -0.130 0.000 1.105 261 F CA 2.048 59.980 58.000 -0.113 0.000 1.239 261 F CB -0.556 38.385 39.000 -0.098 0.000 0.991 261 F HN 0.054 nan 8.300 nan 0.000 0.474 262 T N -1.734 112.489 114.554 -0.551 0.000 2.896 262 T HA -0.167 4.183 4.350 0.000 0.000 0.263 262 T C 1.971 176.451 174.700 -0.367 0.000 1.050 262 T CA 1.140 62.897 62.100 -0.573 0.000 1.140 262 T CB -0.797 67.862 68.868 -0.348 0.000 0.877 262 T HN 0.524 nan 8.240 nan 0.000 0.457 263 Q N 1.318 120.838 119.800 -0.468 0.000 2.077 263 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 263 Q C 2.563 178.445 176.000 -0.198 0.000 0.989 263 Q CA 1.851 57.449 55.803 -0.342 0.000 0.853 263 Q CB -0.535 27.920 28.738 -0.471 0.000 0.907 263 Q HN 0.676 nan 8.270 nan 0.000 0.418 264 A N 0.133 122.835 122.820 -0.196 0.000 1.972 264 A HA -0.091 4.229 4.320 0.000 0.000 0.219 264 A C 2.196 179.697 177.584 -0.138 0.000 1.169 264 A CA 1.529 53.490 52.037 -0.127 0.000 0.635 264 A CB -1.019 17.931 19.000 -0.082 0.000 0.810 264 A HN 0.601 nan 8.150 nan 0.000 0.446 265 G N 0.089 108.756 108.800 -0.221 0.000 2.402 265 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 265 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 265 G C 1.999 176.832 174.900 -0.111 0.000 1.162 265 G CA 1.730 46.714 45.100 -0.193 0.000 0.777 265 G HN 0.852 nan 8.290 nan 0.000 0.539 266 S N 0.818 116.460 115.700 -0.095 0.000 2.382 266 S HA -0.112 4.358 4.470 0.000 0.000 0.228 266 S C 1.984 176.535 174.600 -0.081 0.000 1.027 266 S CA 1.733 59.890 58.200 -0.072 0.000 0.991 266 S CB -0.422 62.708 63.200 -0.118 0.000 0.823 266 S HN 0.580 nan 8.310 nan 0.000 0.469 267 E N 0.961 121.112 120.200 -0.082 0.000 2.118 267 E HA -0.116 4.234 4.350 0.000 0.000 0.195 267 E C 2.321 178.895 176.600 -0.043 0.000 0.992 267 E CA 1.618 57.981 56.400 -0.060 0.000 0.804 267 E CB -0.459 29.210 29.700 -0.051 0.000 0.741 267 E HN 0.729 nan 8.360 nan 0.000 0.458 268 V N -1.707 118.181 119.914 -0.043 0.000 2.878 268 V HA -0.073 4.047 4.120 0.000 0.000 0.250 268 V C 2.294 178.373 176.094 -0.024 0.000 1.075 268 V CA 1.339 63.622 62.300 -0.028 0.000 1.096 268 V CB 0.098 31.908 31.823 -0.021 0.000 0.724 268 V HN 0.143 nan 8.190 nan 0.000 0.467 269 S N 1.550 117.232 115.700 -0.031 0.000 2.368 269 S HA -0.257 4.213 4.470 0.000 0.000 0.226 269 S C 2.193 176.784 174.600 -0.014 0.000 1.044 269 S CA 2.492 60.680 58.200 -0.020 0.000 1.062 269 S CB -0.754 62.435 63.200 -0.019 0.000 0.931 269 S HN 1.104 nan 8.310 nan 0.000 0.440 270 A N 1.784 124.591 122.820 -0.021 0.000 1.852 270 A HA -0.103 4.217 4.320 0.000 0.000 0.217 270 A C 2.266 179.844 177.584 -0.010 0.000 1.215 270 A CA 2.060 54.087 52.037 -0.017 0.000 0.641 270 A CB -1.306 17.680 19.000 -0.024 0.000 0.838 270 A HN 0.620 nan 8.150 nan 0.000 0.450 271 L N -0.605 120.612 121.223 -0.010 0.000 2.261 271 L HA -0.129 4.211 4.340 0.000 0.000 0.216 271 L C 2.100 178.970 176.870 -0.000 0.000 1.114 271 L CA 0.567 55.404 54.840 -0.005 0.000 0.777 271 L CB -0.525 41.530 42.059 -0.006 0.000 0.910 271 L HN 0.351 nan 8.230 nan 0.000 0.440 272 L N 0.425 121.648 121.223 -0.001 0.000 2.622 272 L HA 0.014 4.354 4.340 0.000 0.000 0.233 272 L C 1.189 178.063 176.870 0.007 0.000 1.156 272 L CA 0.428 55.271 54.840 0.005 0.000 0.866 272 L CB -0.830 41.231 42.059 0.004 0.000 0.980 272 L HN 0.534 nan 8.230 nan 0.000 0.448 273 G N 1.129 109.932 108.800 0.005 0.000 2.298 273 G HA2 -0.296 3.664 3.960 0.000 0.000 0.287 273 G HA3 -0.296 3.664 3.960 0.000 0.000 0.287 273 G C -0.060 174.844 174.900 0.007 0.000 1.075 273 G CA -0.079 45.024 45.100 0.006 0.000 0.960 273 G HN 0.349 nan 8.290 nan 0.000 0.502 274 R N -0.939 119.564 120.500 0.005 0.000 2.514 274 R HA 0.623 4.963 4.340 0.000 0.000 0.301 274 R C 0.786 177.090 176.300 0.006 0.000 0.962 274 R CA -0.909 55.195 56.100 0.007 0.000 0.882 274 R CB 1.139 31.444 30.300 0.007 0.000 1.143 274 R HN 0.287 nan 8.270 nan 0.000 0.452 275 I N 5.770 126.346 120.570 0.009 0.000 2.578 275 I HA 0.064 4.234 4.170 0.000 0.000 0.286 275 I C -1.568 174.557 176.117 0.013 0.000 1.126 275 I CA -1.302 60.004 61.300 0.010 0.000 1.380 275 I CB 0.376 38.382 38.000 0.011 0.000 1.408 275 I HN 0.326 nan 8.210 nan 0.000 0.532 276 P HA 0.008 nan 4.420 nan 0.000 0.264 276 P C -0.055 177.264 177.300 0.031 0.000 1.193 276 P CA -0.081 63.029 63.100 0.017 0.000 0.763 276 P CB 0.922 32.624 31.700 0.004 0.000 0.810 277 S N 3.051 118.782 115.700 0.051 0.000 2.625 277 S HA 0.437 4.907 4.470 0.000 0.000 0.262 277 S C 0.438 175.089 174.600 0.085 0.000 1.223 277 S CA -0.219 58.020 58.200 0.065 0.000 0.993 277 S CB 0.063 63.308 63.200 0.076 0.000 1.051 277 S HN 0.622 nan 8.310 nan 0.000 0.562 278 A N 0.293 123.170 122.820 0.096 0.000 2.561 278 A HA 0.384 4.704 4.320 0.000 0.000 0.234 278 A C 1.161 178.846 177.584 0.169 0.000 1.055 278 A CA 0.217 52.318 52.037 0.107 0.000 0.756 278 A CB -1.055 18.002 19.000 0.094 0.000 0.986 278 A HN 1.876 nan 8.150 nan 0.000 0.505 279 V N 1.166 121.153 119.914 0.121 0.000 3.883 279 V HA -0.318 3.802 4.120 0.000 0.000 0.217 279 V C 1.831 177.918 176.094 -0.012 0.000 0.472 279 V CA 1.719 64.080 62.300 0.101 0.000 0.955 279 V CB -2.557 29.387 31.823 0.201 0.000 1.038 279 V HN 2.925 nan 8.190 nan 0.000 1.215 280 G N -2.829 105.963 108.800 -0.013 0.000 2.179 280 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 280 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 280 G C -0.067 174.749 174.900 -0.140 0.000 0.977 280 G CA 0.402 45.448 45.100 -0.091 0.000 0.641 280 G HN 0.852 nan 8.290 nan 0.000 0.533 281 Y N 1.826 122.131 120.300 0.008 0.000 2.335 281 Y HA 0.386 4.936 4.550 0.000 0.000 0.348 281 Y C 1.471 177.361 175.900 -0.016 0.000 1.280 281 Y CA 0.185 58.279 58.100 -0.010 0.000 1.504 281 Y CB 0.393 38.851 38.460 -0.002 0.000 1.366 281 Y HN 0.420 nan 8.280 nan 0.000 0.621 282 Q N 1.766 121.666 119.800 0.167 0.000 2.394 282 Q HA 0.127 4.467 4.340 0.000 0.000 0.248 282 Q C -2.407 173.635 176.000 0.070 0.000 0.992 282 Q CA -1.754 54.094 55.803 0.074 0.000 0.888 282 Q CB 0.542 29.300 28.738 0.033 0.000 1.257 282 Q HN 0.350 nan 8.270 nan 0.000 0.462 283 P HA -0.109 nan 4.420 nan 0.000 0.218 283 P C 1.261 178.579 177.300 0.029 0.000 1.149 283 P CA 2.015 65.137 63.100 0.036 0.000 0.817 283 P CB -0.100 31.615 31.700 0.026 0.000 0.785 284 T N -3.150 111.418 114.554 0.023 0.000 3.113 284 T HA -0.036 4.314 4.350 0.000 0.000 0.263 284 T C 1.686 176.397 174.700 0.019 0.000 1.143 284 T CA 0.088 62.200 62.100 0.020 0.000 1.090 284 T CB -1.238 67.639 68.868 0.015 0.000 0.922 284 T HN -0.015 nan 8.240 nan 0.000 0.521 285 L N 0.967 122.197 121.223 0.012 0.000 2.011 285 L HA -0.272 4.068 4.340 0.000 0.000 0.225 285 L C 2.868 179.747 176.870 0.015 0.000 1.084 285 L CA 2.322 57.154 54.840 -0.013 0.000 0.791 285 L CB -0.951 41.084 42.059 -0.040 0.000 0.898 285 L HN 0.429 nan 8.230 nan 0.000 0.440 286 A N -0.832 122.006 122.820 0.030 0.000 1.898 286 A HA -0.222 4.098 4.320 0.000 0.000 0.216 286 A C 2.318 179.958 177.584 0.094 0.000 1.181 286 A CA 2.300 54.373 52.037 0.061 0.000 0.620 286 A CB -1.183 17.843 19.000 0.043 0.000 0.819 286 A HN 0.694 nan 8.150 nan 0.000 0.442 287 T N -2.142 112.456 114.554 0.073 0.000 2.821 287 T HA -0.154 4.196 4.350 0.000 0.000 0.267 287 T C 1.366 176.128 174.700 0.103 0.000 1.046 287 T CA 1.550 63.699 62.100 0.082 0.000 1.139 287 T CB -0.515 68.387 68.868 0.057 0.000 0.871 287 T HN 0.339 nan 8.240 nan 0.000 0.454 288 D N 1.084 121.544 120.400 0.100 0.000 2.092 288 D HA -0.084 4.556 4.640 0.000 0.000 0.193 288 D C 1.981 178.429 176.300 0.246 0.000 0.994 288 D CA 1.439 55.530 54.000 0.151 0.000 0.828 288 D CB -0.536 40.301 40.800 0.063 0.000 0.963 288 D HN 0.373 nan 8.370 nan 0.000 0.450 289 M N 0.779 120.512 119.600 0.222 0.000 2.073 289 M HA -0.100 4.381 4.480 0.000 0.000 0.258 289 M C 2.018 178.343 176.300 0.042 0.000 1.070 289 M CA 2.311 57.733 55.300 0.204 0.000 1.103 289 M CB -0.806 31.917 32.600 0.204 0.000 1.321 289 M HN 0.044 nan 8.290 nan 0.000 0.405 290 G N 0.350 109.254 108.800 0.173 0.000 2.586 290 G HA2 -0.263 3.698 3.960 0.000 0.000 0.218 290 G HA3 -0.263 3.698 3.960 0.000 0.000 0.218 290 G C 1.515 176.436 174.900 0.036 0.000 1.216 290 G CA 1.308 46.511 45.100 0.171 0.000 0.786 290 G HN 0.515 nan 8.290 nan 0.000 0.583 291 L N -0.331 120.929 121.223 0.062 0.000 2.197 291 L HA -0.142 4.198 4.340 0.000 0.000 0.215 291 L C 2.695 179.556 176.870 -0.016 0.000 1.095 291 L CA 0.885 55.752 54.840 0.045 0.000 0.764 291 L CB -0.305 41.806 42.059 0.086 0.000 0.897 291 L HN 0.318 nan 8.230 nan 0.000 0.436 292 L N -1.024 120.149 121.223 -0.083 0.000 2.115 292 L HA -0.099 4.241 4.340 0.000 0.000 0.200 292 L C 2.533 179.255 176.870 -0.247 0.000 1.094 292 L CA 1.441 56.150 54.840 -0.218 0.000 0.769 292 L CB -0.761 41.036 42.059 -0.436 0.000 0.931 292 L HN 0.088 nan 8.230 nan 0.000 0.455 293 Q N 0.201 119.784 119.800 -0.361 0.000 2.112 293 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 293 Q C 2.005 177.865 176.000 -0.233 0.000 0.987 293 Q CA 1.699 57.238 55.803 -0.439 0.000 0.858 293 Q CB -0.479 27.627 28.738 -1.053 0.000 0.905 293 Q HN 0.599 nan 8.270 nan 0.000 0.420 294 E N 0.573 120.692 120.200 -0.136 0.000 2.209 294 E HA -0.168 4.182 4.350 0.000 0.000 0.196 294 E C 1.899 178.480 176.600 -0.033 0.000 0.993 294 E CA 0.778 57.170 56.400 -0.013 0.000 0.819 294 E CB -0.133 29.592 29.700 0.042 0.000 0.745 294 E HN 0.403 nan 8.360 nan 0.000 0.477 295 R N 0.096 120.556 120.500 -0.067 0.000 2.193 295 R HA 0.103 4.443 4.340 0.000 0.000 0.213 295 R C 0.900 177.158 176.300 -0.071 0.000 1.055 295 R CA 0.312 56.375 56.100 -0.061 0.000 0.995 295 R CB 0.023 30.279 30.300 -0.074 0.000 0.893 295 R HN 0.092 nan 8.270 nan 0.000 0.459 296 I N 1.528 122.040 120.570 -0.096 0.000 2.269 296 I HA 0.116 4.286 4.170 0.000 0.000 0.293 296 I C -0.049 176.028 176.117 -0.067 0.000 1.106 296 I CA 0.080 61.322 61.300 -0.097 0.000 1.248 296 I CB 1.147 39.064 38.000 -0.138 0.000 1.444 296 I HN -0.084 nan 8.210 nan 0.000 0.497 297 T N 2.858 117.381 114.554 -0.051 0.000 2.831 297 T HA 0.185 4.535 4.350 0.000 0.000 0.333 297 T C -0.597 174.083 174.700 -0.033 0.000 1.684 297 T CA -0.510 61.568 62.100 -0.037 0.000 1.049 297 T CB 1.427 70.281 68.868 -0.024 0.000 1.518 297 T HN 0.355 nan 8.240 nan 0.000 0.491 298 T N 3.770 118.305 114.554 -0.031 0.000 2.751 298 T HA 0.451 4.801 4.350 0.000 0.000 0.290 298 T C 0.927 175.607 174.700 -0.034 0.000 0.919 298 T CA 0.108 62.191 62.100 -0.027 0.000 1.136 298 T CB 0.175 69.028 68.868 -0.025 0.000 0.875 298 T HN 0.810 nan 8.240 nan 0.000 0.532 299 T N 0.930 115.466 114.554 -0.030 0.000 2.902 299 T HA 0.414 4.764 4.350 0.000 0.000 0.287 299 T C 1.227 175.905 174.700 -0.036 0.000 1.048 299 T CA -0.786 61.292 62.100 -0.037 0.000 0.941 299 T CB 0.909 69.758 68.868 -0.032 0.000 1.432 299 T HN 0.355 nan 8.240 nan 0.000 0.586 300 K N -0.574 119.803 120.400 -0.039 0.000 2.459 300 K HA 0.237 4.557 4.320 0.000 0.000 0.193 300 K C 1.853 178.437 176.600 -0.027 0.000 1.030 300 K CA 0.514 56.780 56.287 -0.035 0.000 1.026 300 K CB 0.008 32.486 32.500 -0.038 0.000 0.809 300 K HN 0.490 nan 8.250 nan 0.000 0.504 301 K N -1.218 119.166 120.400 -0.025 0.000 2.355 301 K HA 0.178 4.498 4.320 0.000 0.000 0.198 301 K C 0.022 176.614 176.600 -0.014 0.000 1.039 301 K CA 0.135 56.408 56.287 -0.024 0.000 1.075 301 K CB 1.330 33.810 32.500 -0.034 0.000 0.870 301 K HN 0.236 nan 8.250 nan 0.000 0.540 302 G N -0.562 108.233 108.800 -0.008 0.000 2.367 302 G HA2 0.199 4.159 3.960 0.000 0.000 0.272 302 G HA3 0.199 4.159 3.960 0.000 0.000 0.272 302 G C -1.617 173.287 174.900 0.006 0.000 1.271 302 G CA -0.281 44.824 45.100 0.008 0.000 0.893 302 G HN 0.112 nan 8.290 nan 0.000 0.485 303 S N -1.667 114.044 115.700 0.019 0.000 2.537 303 S HA 0.727 5.197 4.470 0.000 0.000 0.270 303 S C -1.361 173.242 174.600 0.004 0.000 1.142 303 S CA -0.546 57.658 58.200 0.007 0.000 0.870 303 S CB 1.807 65.011 63.200 0.008 0.000 1.112 303 S HN 1.462 nan 8.310 nan 0.000 0.466 304 V N 2.183 122.082 119.914 -0.025 0.000 2.495 304 V HA 0.670 4.790 4.120 0.000 0.000 0.298 304 V C -0.373 175.665 176.094 -0.094 0.000 1.031 304 V CA -0.459 61.806 62.300 -0.058 0.000 0.871 304 V CB 1.768 33.550 31.823 -0.068 0.000 0.988 304 V HN 1.045 nan 8.190 nan 0.000 0.432 305 T N 2.803 117.267 114.554 -0.150 0.000 2.809 305 T HA 0.508 4.858 4.350 0.000 0.000 0.296 305 T C -0.141 174.384 174.700 -0.292 0.000 1.015 305 T CA -0.533 61.457 62.100 -0.184 0.000 0.954 305 T CB 1.118 69.872 68.868 -0.191 0.000 0.950 305 T HN 0.803 nan 8.240 nan 0.000 0.450 306 S N 2.086 117.634 115.700 -0.253 0.000 2.519 306 S HA 0.684 5.154 4.470 0.000 0.000 0.309 306 S C -0.506 173.948 174.600 -0.243 0.000 1.100 306 S CA -0.740 57.274 58.200 -0.309 0.000 1.059 306 S CB 1.268 64.317 63.200 -0.250 0.000 1.008 306 S HN 0.409 nan 8.310 nan 0.000 0.478 307 V N 4.187 123.968 119.914 -0.220 0.000 2.394 307 V HA 0.447 4.567 4.120 0.000 0.000 0.282 307 V C -0.289 175.783 176.094 -0.037 0.000 1.031 307 V CA -0.364 61.903 62.300 -0.055 0.000 0.881 307 V CB 1.188 33.133 31.823 0.203 0.000 0.982 307 V HN 0.962 nan 8.190 nan 0.000 0.451 308 Q N 3.254 122.990 119.800 -0.106 0.000 2.340 308 Q HA 0.749 5.089 4.340 0.000 0.000 0.268 308 Q C -0.482 175.424 176.000 -0.156 0.000 1.031 308 Q CA -0.644 55.078 55.803 -0.135 0.000 0.804 308 Q CB 2.542 31.163 28.738 -0.194 0.000 1.286 308 Q HN 0.826 nan 8.270 nan 0.000 0.448 309 A N 2.096 124.858 122.820 -0.096 0.000 2.363 309 A HA 0.572 4.892 4.320 0.000 0.000 0.270 309 A C -0.354 177.134 177.584 -0.161 0.000 1.121 309 A CA -0.427 51.549 52.037 -0.102 0.000 0.800 309 A CB 0.575 19.584 19.000 0.016 0.000 1.052 309 A HN 0.484 nan 8.150 nan 0.000 0.493 310 V N 3.107 122.847 119.914 -0.290 0.000 2.407 310 V HA 0.202 4.322 4.120 0.000 0.000 0.291 310 V C -0.585 175.461 176.094 -0.080 0.000 1.018 310 V CA -0.574 61.566 62.300 -0.266 0.000 0.842 310 V CB 0.861 32.203 31.823 -0.802 0.000 0.996 310 V HN 0.799 nan 8.190 nan 0.000 0.426 311 Y N 4.827 125.077 120.300 -0.083 0.000 2.442 311 Y HA 0.422 4.972 4.550 0.000 0.000 0.330 311 Y C 0.047 175.689 175.900 -0.430 0.000 1.129 311 Y CA -0.004 57.933 58.100 -0.271 0.000 1.365 311 Y CB 1.177 39.402 38.460 -0.391 0.000 1.233 311 Y HN 0.423 nan 8.280 nan 0.000 0.529 312 V N 9.639 128.977 119.914 -0.960 0.000 2.294 312 V HA 0.290 4.410 4.120 0.000 0.000 0.272 312 V C -2.187 173.293 176.094 -1.023 0.000 1.027 312 V CA -1.904 59.982 62.300 -0.690 0.000 0.823 312 V CB 0.762 32.412 31.823 -0.289 0.000 1.030 312 V HN 0.688 nan 8.190 nan 0.000 0.457 313 P HA 0.256 nan 4.420 nan 0.000 0.280 313 P C 0.475 177.691 177.300 -0.140 0.000 1.244 313 P CA 0.391 63.288 63.100 -0.339 0.000 0.784 313 P CB 1.432 33.145 31.700 0.021 0.000 0.913 314 A N 3.250 126.034 122.820 -0.061 0.000 2.790 314 A HA -0.252 4.068 4.320 0.000 0.000 0.277 314 A C 0.747 178.297 177.584 -0.056 0.000 1.435 314 A CA 1.390 53.413 52.037 -0.024 0.000 0.877 314 A CB -2.680 16.329 19.000 0.016 0.000 1.007 314 A HN 0.585 nan 8.150 nan 0.000 0.613 315 D N -1.828 118.499 120.400 -0.122 0.000 2.911 315 D HA -0.191 4.449 4.640 0.000 0.000 0.227 315 D C -0.213 176.045 176.300 -0.070 0.000 1.164 315 D CA 2.131 56.066 54.000 -0.108 0.000 0.782 315 D CB -1.373 39.387 40.800 -0.067 0.000 1.094 315 D HN 1.008 nan 8.370 nan 0.000 0.425 316 D N -0.017 120.347 120.400 -0.060 0.000 2.428 316 D HA 0.257 4.897 4.640 0.000 0.000 0.221 316 D C 1.354 177.651 176.300 -0.005 0.000 1.123 316 D CA -0.447 53.541 54.000 -0.020 0.000 0.869 316 D CB 0.382 41.188 40.800 0.010 0.000 1.032 316 D HN 0.078 nan 8.370 nan 0.000 0.506 317 L N 2.585 123.806 121.223 -0.004 0.000 2.265 317 L HA -0.084 4.256 4.340 0.000 0.000 0.215 317 L C 1.755 178.667 176.870 0.069 0.000 1.117 317 L CA 1.325 56.182 54.840 0.029 0.000 0.782 317 L CB -0.164 41.889 42.059 -0.009 0.000 0.914 317 L HN 0.558 nan 8.230 nan 0.000 0.441 318 T N -4.710 109.868 114.554 0.039 0.000 3.186 318 T HA 0.031 4.381 4.350 0.000 0.000 0.257 318 T C 0.508 175.252 174.700 0.074 0.000 1.029 318 T CA -0.549 61.578 62.100 0.046 0.000 0.916 318 T CB -0.341 68.530 68.868 0.004 0.000 1.041 318 T HN 0.131 nan 8.240 nan 0.000 0.562 319 D N 2.594 123.054 120.400 0.099 0.000 2.488 319 D HA 0.035 4.676 4.640 0.000 0.000 0.238 319 D C -1.543 174.814 176.300 0.095 0.000 1.138 319 D CA -1.466 52.622 54.000 0.146 0.000 0.873 319 D CB 1.605 42.526 40.800 0.202 0.000 1.183 319 D HN 0.015 nan 8.370 nan 0.000 0.458 320 P HA -0.124 nan 4.420 nan 0.000 0.222 320 P C 0.416 177.554 177.300 -0.270 0.000 1.142 320 P CA 1.116 64.131 63.100 -0.142 0.000 0.788 320 P CB 0.256 31.832 31.700 -0.207 0.000 0.767 321 A N 0.249 122.902 122.820 -0.278 0.000 1.864 321 A HA 0.068 4.388 4.320 0.000 0.000 0.213 321 A C -0.278 177.380 177.584 0.123 0.000 1.266 321 A CA 0.870 52.830 52.037 -0.129 0.000 0.612 321 A CB -1.766 17.223 19.000 -0.020 0.000 0.940 321 A HN 0.128 nan 8.150 nan 0.000 0.463 322 P HA -0.198 nan 4.420 nan 0.000 0.217 322 P C 1.568 178.983 177.300 0.191 0.000 1.148 322 P CA 2.218 65.486 63.100 0.280 0.000 0.828 322 P CB -0.197 31.675 31.700 0.287 0.000 0.783 323 A N -0.234 122.731 122.820 0.241 0.000 1.902 323 A HA -0.139 4.181 4.320 0.000 0.000 0.217 323 A C 2.245 180.014 177.584 0.308 0.000 1.181 323 A CA 2.382 54.630 52.037 0.352 0.000 0.623 323 A CB -1.850 17.255 19.000 0.175 0.000 0.818 323 A HN 0.219 nan 8.150 nan 0.000 0.443 324 T N -0.112 114.533 114.554 0.152 0.000 2.995 324 T HA -0.066 4.284 4.350 0.000 0.000 0.269 324 T C 1.832 176.634 174.700 0.170 0.000 1.091 324 T CA 1.573 63.748 62.100 0.126 0.000 1.128 324 T CB -0.435 68.475 68.868 0.070 0.000 0.891 324 T HN 0.569 nan 8.240 nan 0.000 0.492 325 T N 2.054 116.698 114.554 0.149 0.000 2.708 325 T HA -0.055 4.295 4.350 0.000 0.000 0.266 325 T C 1.525 176.316 174.700 0.153 0.000 1.037 325 T CA 1.032 63.217 62.100 0.140 0.000 1.146 325 T CB -0.634 68.266 68.868 0.052 0.000 0.865 325 T HN 0.319 nan 8.240 nan 0.000 0.435 326 F N 2.092 122.157 119.950 0.192 0.000 2.085 326 F HA -0.210 4.317 4.527 0.000 0.000 0.299 326 F C 2.708 178.533 175.800 0.042 0.000 1.096 326 F CA 1.185 59.241 58.000 0.093 0.000 1.227 326 F CB -0.983 37.989 39.000 -0.048 0.000 0.983 326 F HN 0.168 nan 8.300 nan 0.000 0.482 327 A N -1.590 121.325 122.820 0.157 0.000 2.172 327 A HA -0.146 4.175 4.320 0.000 0.000 0.216 327 A C 1.814 179.352 177.584 -0.076 0.000 1.154 327 A CA 1.203 53.240 52.037 0.000 0.000 0.701 327 A CB -0.879 18.069 19.000 -0.086 0.000 0.789 327 A HN 0.478 nan 8.150 nan 0.000 0.465 328 H N -0.606 118.506 119.070 0.071 0.000 2.512 328 H HA 0.183 4.739 4.556 0.000 0.000 0.279 328 H C 0.136 175.476 175.328 0.020 0.000 0.999 328 H CA 0.441 56.508 56.048 0.032 0.000 1.283 328 H CB -0.004 29.764 29.762 0.009 0.000 1.421 328 H HN 0.331 nan 8.280 nan 0.000 0.554 329 L N 1.851 123.164 121.223 0.150 0.000 2.260 329 L HA 0.088 4.428 4.340 0.000 0.000 0.289 329 L C 0.774 177.685 176.870 0.068 0.000 1.057 329 L CA -0.299 54.594 54.840 0.089 0.000 0.811 329 L CB 1.235 43.360 42.059 0.110 0.000 1.184 329 L HN -0.026 nan 8.230 nan 0.000 0.429 330 D N 2.144 122.560 120.400 0.027 0.000 2.178 330 D HA -0.013 4.627 4.640 0.000 0.000 0.201 330 D C 0.619 176.934 176.300 0.025 0.000 0.980 330 D CA 1.167 55.181 54.000 0.023 0.000 0.842 330 D CB 0.282 41.085 40.800 0.005 0.000 0.948 330 D HN 0.635 nan 8.370 nan 0.000 0.472 331 A N -0.603 122.212 122.820 -0.009 0.000 2.539 331 A HA 0.674 4.994 4.320 0.000 0.000 0.296 331 A C -0.641 176.935 177.584 -0.013 0.000 1.073 331 A CA -0.641 51.391 52.037 -0.009 0.000 0.700 331 A CB 1.660 20.624 19.000 -0.061 0.000 1.296 331 A HN 0.023 nan 8.150 nan 0.000 0.405 332 T N -1.372 113.224 114.554 0.071 0.000 2.933 332 T HA 0.725 5.075 4.350 0.000 0.000 0.305 332 T C -0.652 174.135 174.700 0.145 0.000 1.092 332 T CA 0.007 62.199 62.100 0.153 0.000 1.008 332 T CB 1.581 70.638 68.868 0.315 0.000 1.102 332 T HN 1.479 nan 8.240 nan 0.000 0.469 333 T N 0.042 114.675 114.554 0.132 0.000 3.305 333 T HA 0.451 4.801 4.350 0.000 0.000 0.348 333 T C 0.003 174.737 174.700 0.056 0.000 1.394 333 T CA -0.625 61.522 62.100 0.079 0.000 1.549 333 T CB -0.060 68.832 68.868 0.039 0.000 0.962 333 T HN 0.695 nan 8.240 nan 0.000 0.609 334 V N 3.502 123.492 119.914 0.127 0.000 2.557 334 V HA 0.112 4.232 4.120 0.000 0.000 0.301 334 V C 0.382 176.503 176.094 0.045 0.000 1.026 334 V CA 0.062 62.442 62.300 0.134 0.000 1.137 334 V CB 0.049 31.927 31.823 0.091 0.000 0.917 334 V HN 0.728 nan 8.190 nan 0.000 0.484 335 L N 5.217 126.464 121.223 0.040 0.000 2.283 335 L HA 0.345 4.685 4.340 0.000 0.000 0.281 335 L C 0.493 177.371 176.870 0.013 0.000 1.033 335 L CA 0.463 55.308 54.840 0.010 0.000 0.848 335 L CB 1.428 43.489 42.059 0.002 0.000 1.226 335 L HN 0.653 nan 8.230 nan 0.000 0.429 336 S N 2.123 117.821 115.700 -0.003 0.000 2.565 336 S HA 0.209 4.679 4.470 0.000 0.000 0.276 336 S C 1.268 175.854 174.600 -0.025 0.000 1.326 336 S CA -0.364 57.825 58.200 -0.017 0.000 1.045 336 S CB 0.901 64.084 63.200 -0.027 0.000 0.918 336 S HN 0.712 nan 8.310 nan 0.000 0.505 337 R N 3.000 123.486 120.500 -0.024 0.000 2.148 337 R HA 0.006 4.347 4.340 0.000 0.000 0.223 337 R C 2.077 178.355 176.300 -0.036 0.000 1.088 337 R CA 1.278 57.364 56.100 -0.023 0.000 0.985 337 R CB -0.773 29.516 30.300 -0.017 0.000 0.880 337 R HN 0.812 nan 8.270 nan 0.000 0.451 338 G N 0.820 109.596 108.800 -0.040 0.000 2.408 338 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 338 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 338 G C 1.386 176.253 174.900 -0.055 0.000 1.150 338 G CA 0.523 45.596 45.100 -0.044 0.000 0.776 338 G HN 0.232 nan 8.290 nan 0.000 0.542 339 I N 1.597 122.130 120.570 -0.061 0.000 2.333 339 I HA -0.137 4.033 4.170 0.000 0.000 0.246 339 I C 3.156 179.189 176.117 -0.141 0.000 1.106 339 I CA 1.334 62.589 61.300 -0.075 0.000 1.411 339 I CB -0.212 37.753 38.000 -0.058 0.000 1.082 339 I HN 0.324 nan 8.210 nan 0.000 0.420 340 S N 0.524 116.120 115.700 -0.174 0.000 2.382 340 S HA -0.187 4.284 4.470 0.000 0.000 0.228 340 S C 1.703 176.139 174.600 -0.272 0.000 1.027 340 S CA 1.102 59.097 58.200 -0.342 0.000 0.991 340 S CB -0.486 62.603 63.200 -0.184 0.000 0.823 340 S HN 0.481 nan 8.310 nan 0.000 0.469 341 E N 0.507 120.635 120.200 -0.119 0.000 2.482 341 E HA 0.189 4.539 4.350 0.000 0.000 0.196 341 E C 0.815 177.389 176.600 -0.043 0.000 1.047 341 E CA 0.179 56.545 56.400 -0.057 0.000 0.869 341 E CB -0.149 29.537 29.700 -0.024 0.000 0.836 341 E HN 0.513 nan 8.360 nan 0.000 0.520 342 L N 0.134 121.321 121.223 -0.059 0.000 2.737 342 L HA 0.188 4.529 4.340 0.000 0.000 0.236 342 L C 0.986 177.856 176.870 0.000 0.000 1.219 342 L CA -0.095 54.734 54.840 -0.019 0.000 1.021 342 L CB 0.156 42.214 42.059 -0.002 0.000 1.291 342 L HN 0.194 nan 8.230 nan 0.000 0.470 343 G N 0.414 109.191 108.800 -0.038 0.000 2.168 343 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 343 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 343 G C 0.236 175.168 174.900 0.054 0.000 0.997 343 G CA -0.103 45.027 45.100 0.049 0.000 0.708 343 G HN 0.226 nan 8.290 nan 0.000 0.520 344 I N 0.273 120.726 120.570 -0.194 0.000 2.315 344 I HA 0.558 4.728 4.170 0.000 0.000 0.291 344 I C -0.256 175.609 176.117 -0.419 0.000 1.006 344 I CA -1.174 60.036 61.300 -0.150 0.000 1.265 344 I CB 0.523 38.489 38.000 -0.056 0.000 1.387 344 I HN 0.021 nan 8.210 nan 0.000 0.475 345 Y N 6.678 126.938 120.300 -0.067 0.000 2.457 345 Y HA 0.441 4.991 4.550 0.000 0.000 0.343 345 Y C -2.302 173.419 175.900 -0.299 0.000 0.994 345 Y CA -2.612 55.383 58.100 -0.175 0.000 1.031 345 Y CB 2.340 40.680 38.460 -0.200 0.000 1.246 345 Y HN 0.386 nan 8.280 nan 0.000 0.449 346 P HA 0.214 nan 4.420 nan 0.000 0.280 346 P C -0.606 176.748 177.300 0.090 0.000 1.244 346 P CA -0.292 62.821 63.100 0.022 0.000 0.784 346 P CB 1.198 32.941 31.700 0.072 0.000 0.913 347 A N 4.239 127.108 122.820 0.082 0.000 3.052 347 A HA 0.234 4.554 4.320 0.000 0.000 0.266 347 A C 0.380 177.968 177.584 0.008 0.000 1.855 347 A CA -0.175 51.849 52.037 -0.022 0.000 1.473 347 A CB -1.223 17.723 19.000 -0.091 0.000 1.038 347 A HN 0.381 nan 8.150 nan 0.000 0.619 348 V N 1.949 121.879 119.914 0.027 0.000 2.465 348 V HA 0.096 4.216 4.120 0.000 0.000 0.279 348 V C 0.447 176.548 176.094 0.012 0.000 1.045 348 V CA -0.775 61.535 62.300 0.016 0.000 0.938 348 V CB 1.412 33.259 31.823 0.040 0.000 0.986 348 V HN 0.684 nan 8.190 nan 0.000 0.467 349 D N 7.626 128.030 120.400 0.006 0.000 2.382 349 D HA 0.095 4.735 4.640 0.000 0.000 0.259 349 D C -1.228 175.074 176.300 0.004 0.000 1.224 349 D CA -1.405 52.595 54.000 -0.000 0.000 0.894 349 D CB 1.962 42.758 40.800 -0.008 0.000 1.127 349 D HN 0.287 nan 8.370 nan 0.000 0.487 350 P HA -0.096 nan 4.420 nan 0.000 0.218 350 P C 1.527 178.820 177.300 -0.011 0.000 1.149 350 P CA 0.817 63.915 63.100 -0.004 0.000 0.817 350 P CB 0.567 32.271 31.700 0.006 0.000 0.785 351 L N -0.953 120.261 121.223 -0.015 0.000 2.286 351 L HA 0.133 4.473 4.340 0.000 0.000 0.203 351 L C 2.157 179.006 176.870 -0.034 0.000 1.068 351 L CA 0.821 55.646 54.840 -0.025 0.000 0.811 351 L CB -0.693 41.349 42.059 -0.028 0.000 0.989 351 L HN -0.138 nan 8.230 nan 0.000 0.467 352 D N -0.091 120.286 120.400 -0.038 0.000 2.363 352 D HA -0.015 4.626 4.640 0.000 0.000 0.226 352 D C 0.491 176.771 176.300 -0.034 0.000 1.020 352 D CA 0.212 54.175 54.000 -0.061 0.000 0.892 352 D CB 0.276 41.032 40.800 -0.073 0.000 0.900 352 D HN 0.034 nan 8.370 nan 0.000 0.531 353 S N -0.126 115.576 115.700 0.004 0.000 2.584 353 S HA 0.640 5.110 4.470 0.000 0.000 0.273 353 S C 0.260 174.882 174.600 0.036 0.000 1.311 353 S CA -0.525 57.702 58.200 0.046 0.000 1.034 353 S CB 1.551 64.789 63.200 0.063 0.000 0.939 353 S HN 0.321 nan 8.310 nan 0.000 0.513 354 K N 0.979 121.418 120.400 0.065 0.000 2.482 354 K HA 0.752 5.072 4.320 0.000 0.000 0.251 354 K C -0.773 175.871 176.600 0.074 0.000 0.936 354 K CA -0.784 55.534 56.287 0.052 0.000 0.791 354 K CB 1.819 34.340 32.500 0.035 0.000 1.213 354 K HN 0.546 nan 8.250 nan 0.000 0.428 355 S N 0.847 116.586 115.700 0.065 0.000 2.538 355 S HA 0.412 4.882 4.470 0.000 0.000 0.288 355 S C 0.787 175.426 174.600 0.065 0.000 1.108 355 S CA -0.746 57.500 58.200 0.076 0.000 0.971 355 S CB 1.714 64.972 63.200 0.097 0.000 1.041 355 S HN 0.660 nan 8.310 nan 0.000 0.483 356 R N 1.879 122.416 120.500 0.061 0.000 2.120 356 R HA 0.059 4.399 4.340 0.000 0.000 0.234 356 R C 0.756 177.093 176.300 0.062 0.000 1.123 356 R CA 1.226 57.358 56.100 0.054 0.000 0.975 356 R CB -0.184 30.142 30.300 0.043 0.000 0.866 356 R HN 0.635 nan 8.270 nan 0.000 0.446 357 L N 1.424 122.686 121.223 0.065 0.000 2.629 357 L HA 0.102 4.442 4.340 0.000 0.000 0.230 357 L C 0.504 177.412 176.870 0.063 0.000 1.151 357 L CA -0.292 54.582 54.840 0.056 0.000 0.924 357 L CB 0.069 42.156 42.059 0.047 0.000 1.137 357 L HN 0.071 nan 8.230 nan 0.000 0.457 358 L N 1.203 122.476 121.223 0.083 0.000 2.376 358 L HA 0.205 4.545 4.340 0.000 0.000 0.250 358 L C -0.835 176.208 176.870 0.288 0.000 1.335 358 L CA 0.630 55.525 54.840 0.091 0.000 1.214 358 L CB -0.539 41.526 42.059 0.009 0.000 1.395 358 L HN 0.021 nan 8.230 nan 0.000 0.424 359 D N 1.354 121.932 120.400 0.297 0.000 2.855 359 D HA 0.465 5.105 4.640 0.000 0.000 0.241 359 D C 0.721 177.096 176.300 0.126 0.000 1.277 359 D CA 0.136 54.276 54.000 0.235 0.000 0.918 359 D CB 2.053 42.905 40.800 0.087 0.000 1.462 359 D HN 0.298 nan 8.370 nan 0.000 0.559 360 A N 2.745 125.465 122.820 -0.168 0.000 2.067 360 A HA 0.068 4.389 4.320 0.000 0.000 0.219 360 A C 1.853 179.372 177.584 -0.109 0.000 1.158 360 A CA 1.504 53.411 52.037 -0.217 0.000 0.661 360 A CB -0.241 18.422 19.000 -0.562 0.000 0.801 360 A HN 0.559 nan 8.150 nan 0.000 0.452 361 A N -1.119 121.641 122.820 -0.099 0.000 2.252 361 A HA 0.386 4.706 4.320 0.000 0.000 0.207 361 A C 1.375 178.940 177.584 -0.031 0.000 1.194 361 A CA 1.210 53.213 52.037 -0.057 0.000 0.809 361 A CB -0.139 18.830 19.000 -0.052 0.000 0.814 361 A HN 0.416 nan 8.150 nan 0.000 0.482 362 V N -1.748 118.151 119.914 -0.026 0.000 3.368 362 V HA -0.015 4.105 4.120 0.000 0.000 0.255 362 V C 1.834 177.897 176.094 -0.052 0.000 1.466 362 V CA 1.019 63.304 62.300 -0.025 0.000 1.095 362 V CB 0.877 32.692 31.823 -0.014 0.000 0.899 362 V HN 0.457 nan 8.190 nan 0.000 0.440 363 V N -1.937 117.938 119.914 -0.063 0.000 3.570 363 V HA 0.806 4.926 4.120 0.000 0.000 0.257 363 V C 0.856 176.943 176.094 -0.011 0.000 1.272 363 V CA 0.697 62.906 62.300 -0.152 0.000 1.079 363 V CB 0.108 31.678 31.823 -0.422 0.000 0.829 363 V HN 0.993 nan 8.190 nan 0.000 0.454 364 G N -0.965 107.852 108.800 0.028 0.000 2.690 364 G HA2 0.193 4.154 3.960 0.000 0.000 0.686 364 G HA3 0.193 4.154 3.960 0.000 0.000 0.686 364 G C 0.275 175.239 174.900 0.107 0.000 1.277 364 G CA 0.537 45.671 45.100 0.056 0.000 0.799 364 G HN 1.179 nan 8.290 nan 0.000 0.613 365 Q N -0.083 119.763 119.800 0.077 0.000 2.077 365 Q HA -0.106 4.234 4.340 0.000 0.000 0.206 365 Q C 2.457 178.554 176.000 0.162 0.000 0.989 365 Q CA 2.708 58.567 55.803 0.094 0.000 0.853 365 Q CB -0.654 28.117 28.738 0.055 0.000 0.907 365 Q HN 1.041 nan 8.270 nan 0.000 0.418 366 E N -1.257 119.029 120.200 0.144 0.000 2.072 366 E HA -0.192 4.158 4.350 0.000 0.000 0.191 366 E C 2.196 178.900 176.600 0.173 0.000 0.985 366 E CA 0.760 57.243 56.400 0.139 0.000 0.801 366 E CB -0.110 29.652 29.700 0.105 0.000 0.750 366 E HN 0.817 nan 8.360 nan 0.000 0.452 367 H N -0.377 118.755 119.070 0.104 0.000 2.319 367 H HA -0.198 4.358 4.556 0.000 0.000 0.299 367 H C 1.852 177.243 175.328 0.106 0.000 1.092 367 H CA 1.943 58.048 56.048 0.095 0.000 1.302 367 H CB -0.433 29.383 29.762 0.089 0.000 1.373 367 H HN 0.282 nan 8.280 nan 0.000 0.497 368 Y N 1.651 122.109 120.300 0.263 0.000 2.114 368 Y HA -0.200 4.350 4.550 0.000 0.000 0.284 368 Y C 2.506 178.470 175.900 0.106 0.000 1.143 368 Y CA 1.984 60.186 58.100 0.169 0.000 1.135 368 Y CB -0.258 38.258 38.460 0.093 0.000 0.980 368 Y HN 0.202 nan 8.280 nan 0.000 0.499 369 D N -0.540 120.035 120.400 0.291 0.000 2.116 369 D HA -0.218 4.422 4.640 0.000 0.000 0.193 369 D C 2.375 178.723 176.300 0.081 0.000 0.998 369 D CA 1.835 55.943 54.000 0.179 0.000 0.836 369 D CB -0.518 40.372 40.800 0.151 0.000 0.951 369 D HN 0.287 nan 8.370 nan 0.000 0.449 370 V N 1.566 121.520 119.914 0.067 0.000 2.255 370 V HA -0.279 3.841 4.120 0.000 0.000 0.247 370 V C 2.593 178.679 176.094 -0.014 0.000 1.051 370 V CA 2.052 64.374 62.300 0.035 0.000 1.018 370 V CB -0.844 30.989 31.823 0.017 0.000 0.641 370 V HN 0.206 nan 8.190 nan 0.000 0.445 371 A N -0.638 122.138 122.820 -0.073 0.000 1.902 371 A HA -0.214 4.107 4.320 0.000 0.000 0.217 371 A C 2.476 179.982 177.584 -0.131 0.000 1.181 371 A CA 2.281 54.240 52.037 -0.130 0.000 0.623 371 A CB -0.757 18.159 19.000 -0.139 0.000 0.818 371 A HN 0.511 nan 8.150 nan 0.000 0.443 372 S N -0.136 115.467 115.700 -0.162 0.000 2.368 372 S HA -0.148 4.323 4.470 0.000 0.000 0.225 372 S C 1.861 176.437 174.600 -0.040 0.000 1.030 372 S CA 1.630 59.750 58.200 -0.132 0.000 0.999 372 S CB -0.227 62.902 63.200 -0.118 0.000 0.844 372 S HN 0.636 nan 8.310 nan 0.000 0.459 373 K N 0.635 121.032 120.400 -0.005 0.000 2.366 373 K HA 0.077 4.397 4.320 0.000 0.000 0.198 373 K C 1.858 178.477 176.600 0.032 0.000 1.044 373 K CA 0.497 56.798 56.287 0.025 0.000 0.973 373 K CB -0.130 32.397 32.500 0.045 0.000 0.767 373 K HN 0.186 nan 8.250 nan 0.000 0.475 374 V N 1.644 121.570 119.914 0.021 0.000 2.323 374 V HA -0.252 3.868 4.120 0.000 0.000 0.244 374 V C 2.826 178.932 176.094 0.019 0.000 1.041 374 V CA 2.475 64.796 62.300 0.035 0.000 1.025 374 V CB -0.706 31.113 31.823 -0.007 0.000 0.656 374 V HN 0.472 nan 8.190 nan 0.000 0.451 375 Q N -0.252 119.541 119.800 -0.013 0.000 2.364 375 Q HA -0.141 4.199 4.340 0.000 0.000 0.207 375 Q C 1.986 177.992 176.000 0.009 0.000 0.970 375 Q CA 1.836 57.633 55.803 -0.009 0.000 0.888 375 Q CB -1.065 27.652 28.738 -0.034 0.000 0.951 375 Q HN 0.864 nan 8.270 nan 0.000 0.469 376 E N 0.281 120.489 120.200 0.014 0.000 2.158 376 E HA -0.087 4.263 4.350 0.000 0.000 0.191 376 E C 2.191 178.814 176.600 0.038 0.000 0.982 376 E CA 1.458 57.872 56.400 0.024 0.000 0.823 376 E CB -0.898 28.816 29.700 0.023 0.000 0.766 376 E HN 0.784 nan 8.360 nan 0.000 0.468 377 T N 0.602 115.182 114.554 0.045 0.000 2.857 377 T HA 0.047 4.398 4.350 0.000 0.000 0.266 377 T C 2.045 176.800 174.700 0.092 0.000 1.048 377 T CA 1.122 63.254 62.100 0.052 0.000 1.139 377 T CB -0.103 68.792 68.868 0.045 0.000 0.874 377 T HN 0.298 nan 8.240 nan 0.000 0.455 378 L N 0.420 121.704 121.223 0.101 0.000 2.446 378 L HA 0.150 4.490 4.340 0.000 0.000 0.219 378 L C 2.714 179.647 176.870 0.105 0.000 1.116 378 L CA 0.438 55.370 54.840 0.153 0.000 0.844 378 L CB -0.252 41.878 42.059 0.118 0.000 0.970 378 L HN 0.156 nan 8.230 nan 0.000 0.457 379 Q N -0.139 119.699 119.800 0.063 0.000 2.137 379 Q HA -0.121 4.219 4.340 0.000 0.000 0.198 379 Q C 2.015 178.044 176.000 0.048 0.000 0.960 379 Q CA 1.958 57.781 55.803 0.035 0.000 0.847 379 Q CB -0.105 28.644 28.738 0.018 0.000 0.915 379 Q HN 0.290 nan 8.270 nan 0.000 0.448 380 T N -0.019 114.577 114.554 0.070 0.000 2.821 380 T HA -0.135 4.215 4.350 0.000 0.000 0.267 380 T C 1.158 175.941 174.700 0.138 0.000 1.046 380 T CA 1.240 63.387 62.100 0.078 0.000 1.139 380 T CB -0.506 68.400 68.868 0.063 0.000 0.871 380 T HN 0.336 nan 8.240 nan 0.000 0.454 381 Y N 2.571 122.869 120.300 -0.003 0.000 2.293 381 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 381 Y C 2.517 178.413 175.900 -0.007 0.000 1.137 381 Y CA 0.991 59.089 58.100 -0.004 0.000 1.202 381 Y CB -0.895 37.564 38.460 -0.003 0.000 0.990 381 Y HN 0.214 nan 8.280 nan 0.000 0.537 382 K N -0.496 119.902 120.400 -0.003 0.000 1.991 382 K HA -0.041 4.279 4.320 0.000 0.000 0.207 382 K C 2.299 178.860 176.600 -0.064 0.000 1.045 382 K CA 1.639 57.869 56.287 -0.095 0.000 0.937 382 K CB -1.407 31.059 32.500 -0.057 0.000 0.720 382 K HN 0.313 nan 8.250 nan 0.000 0.438 383 S N 0.518 116.207 115.700 -0.018 0.000 2.584 383 S HA 0.110 4.581 4.470 0.000 0.000 0.240 383 S C 1.554 176.152 174.600 -0.003 0.000 0.975 383 S CA 0.747 58.940 58.200 -0.012 0.000 0.949 383 S CB -0.263 62.937 63.200 0.000 0.000 0.761 383 S HN 0.408 nan 8.310 nan 0.000 0.536 384 L N 0.106 121.332 121.223 0.005 0.000 2.575 384 L HA 0.099 4.439 4.340 0.000 0.000 0.228 384 L C 2.207 179.068 176.870 -0.015 0.000 1.075 384 L CA 0.073 54.927 54.840 0.024 0.000 0.867 384 L CB -0.148 41.968 42.059 0.094 0.000 1.097 384 L HN 0.093 nan 8.230 nan 0.000 0.485 385 Q N 0.646 120.391 119.800 -0.092 0.000 2.142 385 Q HA -0.302 4.038 4.340 0.000 0.000 0.213 385 Q C 1.525 177.481 176.000 -0.073 0.000 1.004 385 Q CA 2.016 57.732 55.803 -0.144 0.000 0.883 385 Q CB -0.477 28.142 28.738 -0.198 0.000 0.939 385 Q HN 0.530 nan 8.270 nan 0.000 0.413 386 D N -0.054 120.314 120.400 -0.052 0.000 2.097 386 D HA -0.108 4.532 4.640 0.000 0.000 0.195 386 D C 2.148 178.437 176.300 -0.017 0.000 0.989 386 D CA 0.953 54.933 54.000 -0.033 0.000 0.827 386 D CB -0.164 40.620 40.800 -0.028 0.000 0.966 386 D HN 0.288 nan 8.370 nan 0.000 0.456 387 I N 1.374 121.939 120.570 -0.008 0.000 2.252 387 I HA -0.213 3.957 4.170 0.000 0.000 0.245 387 I C 2.337 178.460 176.117 0.011 0.000 1.102 387 I CA 0.534 61.836 61.300 0.003 0.000 1.385 387 I CB -0.116 37.890 38.000 0.010 0.000 1.064 387 I HN -0.011 nan 8.210 nan 0.000 0.414 388 I N 1.178 121.759 120.570 0.019 0.000 2.252 388 I HA -0.210 3.960 4.170 0.000 0.000 0.245 388 I C 2.849 178.978 176.117 0.019 0.000 1.102 388 I CA 1.552 62.873 61.300 0.034 0.000 1.385 388 I CB -1.766 36.280 38.000 0.075 0.000 1.064 388 I HN 0.159 nan 8.210 nan 0.000 0.414 389 A N 1.128 123.949 122.820 0.002 0.000 2.024 389 A HA -0.133 4.187 4.320 0.000 0.000 0.220 389 A C 2.228 179.811 177.584 -0.001 0.000 1.164 389 A CA 1.416 53.450 52.037 -0.004 0.000 0.643 389 A CB -0.352 18.636 19.000 -0.019 0.000 0.806 389 A HN 0.341 nan 8.150 nan 0.000 0.451 390 I N -1.515 119.055 120.570 -0.000 0.000 2.899 390 I HA 0.071 4.241 4.170 0.000 0.000 0.257 390 I C 1.827 177.946 176.117 0.004 0.000 1.115 390 I CA 0.807 62.107 61.300 0.000 0.000 1.451 390 I CB -1.200 36.799 38.000 -0.002 0.000 1.251 390 I HN 0.193 nan 8.210 nan 0.000 0.456 391 L N 0.774 122.001 121.223 0.006 0.000 2.611 391 L HA 0.346 4.686 4.340 0.000 0.000 0.229 391 L C 0.907 177.784 176.870 0.011 0.000 1.137 391 L CA 0.037 54.882 54.840 0.008 0.000 0.901 391 L CB -0.589 41.474 42.059 0.008 0.000 1.098 391 L HN 0.416 nan 8.230 nan 0.000 0.456 392 G N -0.345 108.464 108.800 0.014 0.000 2.880 392 G HA2 -0.282 3.678 3.960 0.000 0.000 0.617 392 G HA3 -0.282 3.678 3.960 0.000 0.000 0.617 392 G C 0.453 175.366 174.900 0.021 0.000 1.493 392 G CA -0.322 44.788 45.100 0.016 0.000 0.916 392 G HN -0.029 nan 8.290 nan 0.000 0.553 393 M N 0.418 120.031 119.600 0.022 0.000 2.549 393 M HA -0.053 4.427 4.480 0.000 0.000 0.260 393 M C 1.899 178.206 176.300 0.013 0.000 1.076 393 M CA 1.730 57.043 55.300 0.021 0.000 1.090 393 M CB -0.845 31.765 32.600 0.017 0.000 1.418 393 M HN 0.651 nan 8.290 nan 0.000 0.486 394 D N 0.687 121.093 120.400 0.010 0.000 2.077 394 D HA -0.149 4.491 4.640 0.000 0.000 0.193 394 D C 1.485 177.789 176.300 0.007 0.000 0.989 394 D CA 1.195 55.199 54.000 0.007 0.000 0.831 394 D CB -0.208 40.595 40.800 0.006 0.000 0.979 394 D HN 0.351 nan 8.370 nan 0.000 0.449 395 E N 0.650 120.855 120.200 0.009 0.000 2.515 395 E HA -0.020 4.331 4.350 0.000 0.000 0.201 395 E C 0.834 177.440 176.600 0.009 0.000 1.071 395 E CA -0.005 56.400 56.400 0.008 0.000 0.880 395 E CB -0.106 29.599 29.700 0.008 0.000 0.828 395 E HN 0.380 nan 8.360 nan 0.000 0.540 396 L N 1.850 123.080 121.223 0.011 0.000 2.461 396 L HA -0.009 4.331 4.340 0.000 0.000 0.272 396 L C 1.162 178.037 176.870 0.008 0.000 1.197 396 L CA -0.239 54.608 54.840 0.013 0.000 0.836 396 L CB 0.542 42.610 42.059 0.016 0.000 1.105 396 L HN 0.024 nan 8.230 nan 0.000 0.477 397 S N 1.185 116.889 115.700 0.008 0.000 2.634 397 S HA 0.147 4.617 4.470 0.000 0.000 0.261 397 S C 0.426 175.028 174.600 0.002 0.000 1.271 397 S CA -0.685 57.518 58.200 0.005 0.000 0.985 397 S CB 0.917 64.120 63.200 0.006 0.000 0.968 397 S HN 0.597 nan 8.310 nan 0.000 0.568 398 E N -0.235 119.966 120.200 0.001 0.000 2.465 398 E HA 0.110 4.460 4.350 0.000 0.000 0.195 398 E C 1.134 177.732 176.600 -0.003 0.000 1.028 398 E CA 0.095 56.493 56.400 -0.002 0.000 0.899 398 E CB -0.059 29.639 29.700 -0.003 0.000 1.032 398 E HN 0.682 nan 8.360 nan 0.000 0.468 399 Q N 0.196 119.996 119.800 0.000 0.000 2.339 399 Q HA -0.026 4.314 4.340 0.000 0.000 0.205 399 Q C 0.871 176.872 176.000 0.001 0.000 0.925 399 Q CA 0.686 56.489 55.803 0.001 0.000 0.898 399 Q CB 0.515 29.255 28.738 0.005 0.000 1.013 399 Q HN 0.190 nan 8.270 nan 0.000 0.504 400 D N 0.179 120.580 120.400 0.003 0.000 2.338 400 D HA -0.041 4.599 4.640 0.000 0.000 0.224 400 D C 1.533 177.829 176.300 -0.006 0.000 0.967 400 D CA 0.602 54.606 54.000 0.006 0.000 0.896 400 D CB 0.171 40.981 40.800 0.017 0.000 1.028 400 D HN 0.017 nan 8.370 nan 0.000 0.493 401 K N 0.488 120.883 120.400 -0.009 0.000 2.057 401 K HA -0.117 4.203 4.320 0.000 0.000 0.207 401 K C 1.982 178.557 176.600 -0.041 0.000 1.049 401 K CA 0.617 56.893 56.287 -0.018 0.000 0.931 401 K CB -0.003 32.491 32.500 -0.011 0.000 0.714 401 K HN -0.028 nan 8.250 nan 0.000 0.440 402 L N 0.795 121.996 121.223 -0.037 0.000 2.313 402 L HA -0.049 4.291 4.340 0.000 0.000 0.214 402 L C 1.747 178.577 176.870 -0.066 0.000 1.119 402 L CA 1.635 56.447 54.840 -0.048 0.000 0.809 402 L CB -0.311 41.729 42.059 -0.032 0.000 0.933 402 L HN 0.099 nan 8.230 nan 0.000 0.449 403 T N -1.873 112.647 114.554 -0.058 0.000 2.951 403 T HA -0.086 4.264 4.350 0.000 0.000 0.268 403 T C 1.957 176.573 174.700 -0.140 0.000 1.073 403 T CA 1.256 63.316 62.100 -0.067 0.000 1.134 403 T CB -0.157 68.694 68.868 -0.027 0.000 0.884 403 T HN 0.146 nan 8.240 nan 0.000 0.479 404 V N 1.461 121.281 119.914 -0.158 0.000 2.379 404 V HA -0.100 4.020 4.120 0.000 0.000 0.245 404 V C 2.385 178.247 176.094 -0.386 0.000 1.044 404 V CA 1.589 63.701 62.300 -0.314 0.000 1.036 404 V CB -0.435 31.306 31.823 -0.137 0.000 0.664 404 V HN 0.480 nan 8.190 nan 0.000 0.453 405 E N 0.126 120.196 120.200 -0.217 0.000 2.158 405 E HA -0.103 4.247 4.350 0.000 0.000 0.191 405 E C 2.492 178.967 176.600 -0.208 0.000 0.982 405 E CA 1.313 57.602 56.400 -0.185 0.000 0.823 405 E CB -0.248 29.388 29.700 -0.107 0.000 0.766 405 E HN 0.595 nan 8.360 nan 0.000 0.468 406 R N 0.700 121.091 120.500 -0.182 0.000 2.161 406 R HA 0.288 4.628 4.340 0.000 0.000 0.213 406 R C 2.104 178.298 176.300 -0.176 0.000 1.055 406 R CA 1.163 57.166 56.100 -0.162 0.000 0.996 406 R CB -0.915 29.330 30.300 -0.091 0.000 0.901 406 R HN 0.226 nan 8.270 nan 0.000 0.456 407 A N 0.609 123.296 122.820 -0.222 0.000 1.970 407 A HA 0.147 4.467 4.320 0.000 0.000 0.216 407 A C 2.691 180.119 177.584 -0.260 0.000 1.170 407 A CA 1.608 53.519 52.037 -0.210 0.000 0.645 407 A CB -0.571 18.281 19.000 -0.246 0.000 0.816 407 A HN 0.651 nan 8.150 nan 0.000 0.447 408 R N -0.655 119.606 120.500 -0.399 0.000 2.115 408 R HA -0.037 4.303 4.340 0.000 0.000 0.230 408 R C 2.441 178.620 176.300 -0.201 0.000 1.111 408 R CA 2.464 58.396 56.100 -0.279 0.000 0.976 408 R CB -1.657 28.481 30.300 -0.270 0.000 0.870 408 R HN 0.722 nan 8.270 nan 0.000 0.445 409 K N 0.880 121.081 120.400 -0.330 0.000 2.025 409 K HA 0.167 4.487 4.320 0.000 0.000 0.207 409 K C 2.250 178.591 176.600 -0.432 0.000 1.049 409 K CA 1.383 57.294 56.287 -0.627 0.000 0.933 409 K CB -0.622 31.259 32.500 -1.031 0.000 0.714 409 K HN 0.519 nan 8.250 nan 0.000 0.438 410 I N 1.358 121.812 120.570 -0.194 0.000 2.208 410 I HA -0.313 3.858 4.170 0.000 0.000 0.245 410 I C 3.425 179.677 176.117 0.225 0.000 1.097 410 I CA 1.824 63.203 61.300 0.131 0.000 1.363 410 I CB -0.496 37.627 38.000 0.205 0.000 1.051 410 I HN 0.596 nan 8.210 nan 0.000 0.413 411 Q N 1.052 120.924 119.800 0.120 0.000 2.170 411 Q HA -0.231 4.109 4.340 0.000 0.000 0.203 411 Q C 2.216 178.301 176.000 0.142 0.000 0.976 411 Q CA 1.889 57.777 55.803 0.142 0.000 0.858 411 Q CB -0.802 28.031 28.738 0.159 0.000 0.907 411 Q HN 0.564 nan 8.270 nan 0.000 0.433 412 R N -1.807 118.772 120.500 0.131 0.000 2.112 412 R HA 0.194 4.534 4.340 0.000 0.000 0.216 412 R C 1.908 178.358 176.300 0.251 0.000 1.080 412 R CA 0.690 56.892 56.100 0.169 0.000 0.996 412 R CB -0.065 30.321 30.300 0.143 0.000 0.902 412 R HN 0.472 nan 8.270 nan 0.000 0.449 413 F N 1.194 121.202 119.950 0.097 0.000 2.546 413 F HA 0.020 4.547 4.527 0.000 0.000 0.298 413 F C 1.338 177.323 175.800 0.307 0.000 1.120 413 F CA 0.869 58.961 58.000 0.154 0.000 1.456 413 F CB 0.111 39.110 39.000 -0.003 0.000 1.088 413 F HN -0.060 nan 8.300 nan 0.000 0.572 414 L N -0.745 120.663 121.223 0.307 0.000 2.567 414 L HA 0.075 4.415 4.340 0.000 0.000 0.225 414 L C 1.433 178.345 176.870 0.070 0.000 1.119 414 L CA 0.141 55.093 54.840 0.186 0.000 0.871 414 L CB -0.465 41.679 42.059 0.141 0.000 1.036 414 L HN 0.091 nan 8.230 nan 0.000 0.459 415 S N -0.498 115.232 115.700 0.051 0.000 2.634 415 S HA 0.343 4.813 4.470 0.000 0.000 0.261 415 S C -0.278 174.292 174.600 -0.050 0.000 1.271 415 S CA -0.374 57.813 58.200 -0.022 0.000 0.985 415 S CB 1.794 64.949 63.200 -0.076 0.000 0.968 415 S HN 0.255 nan 8.310 nan 0.000 0.568 416 Q N 0.066 119.814 119.800 -0.087 0.000 2.403 416 Q HA 0.399 4.739 4.340 0.000 0.000 0.267 416 Q C -3.068 172.921 176.000 -0.018 0.000 0.991 416 Q CA -1.791 53.997 55.803 -0.025 0.000 0.906 416 Q CB 2.315 31.114 28.738 0.101 0.000 1.422 416 Q HN 0.547 nan 8.270 nan 0.000 0.400 417 P HA 0.175 nan 4.420 nan 0.000 0.276 417 P C -1.107 176.358 177.300 0.276 0.000 1.243 417 P CA 0.035 63.186 63.100 0.085 0.000 0.768 417 P CB 0.283 32.006 31.700 0.038 0.000 0.856 418 F N 1.709 121.636 119.950 -0.039 0.000 2.450 418 F HA 0.454 4.982 4.527 0.000 0.000 0.332 418 F C 1.526 177.301 175.800 -0.043 0.000 1.093 418 F CA -1.185 56.781 58.000 -0.057 0.000 1.003 418 F CB 1.253 40.214 39.000 -0.065 0.000 1.151 418 F HN 0.367 nan 8.300 nan 0.000 0.474 419 A N 2.801 125.600 122.820 -0.035 0.000 1.854 419 A HA -0.034 4.286 4.320 0.000 0.000 0.214 419 A C 2.097 179.667 177.584 -0.024 0.000 1.192 419 A CA 1.723 53.726 52.037 -0.057 0.000 0.611 419 A CB -0.925 17.996 19.000 -0.132 0.000 0.832 419 A HN 0.543 nan 8.150 nan 0.000 0.442 420 V N -0.165 119.720 119.914 -0.047 0.000 2.332 420 V HA -0.141 3.979 4.120 0.000 0.000 0.248 420 V C 1.986 178.141 176.094 0.101 0.000 1.055 420 V CA 1.645 63.947 62.300 0.003 0.000 1.038 420 V CB -1.001 30.812 31.823 -0.016 0.000 0.651 420 V HN 0.578 nan 8.190 nan 0.000 0.450 421 A N -0.497 122.437 122.820 0.190 0.000 3.175 421 A HA 0.287 4.607 4.320 0.000 0.000 0.289 421 A C 1.385 179.093 177.584 0.207 0.000 1.429 421 A CA -0.163 52.062 52.037 0.313 0.000 1.155 421 A CB -0.252 18.949 19.000 0.336 0.000 1.169 421 A HN 0.506 nan 8.150 nan 0.000 0.574 422 E N 0.324 120.574 120.200 0.083 0.000 2.250 422 E HA -0.032 4.318 4.350 0.000 0.000 0.192 422 E C 1.137 177.708 176.600 -0.048 0.000 0.986 422 E CA 0.462 56.878 56.400 0.028 0.000 0.849 422 E CB 0.238 29.937 29.700 -0.001 0.000 0.797 422 E HN 0.400 nan 8.360 nan 0.000 0.482 423 V N 0.806 120.615 119.914 -0.175 0.000 3.026 423 V HA -0.186 3.934 4.120 0.000 0.000 0.265 423 V C 0.977 176.732 176.094 -0.565 0.000 1.121 423 V CA 1.438 63.493 62.300 -0.409 0.000 1.142 423 V CB -0.372 31.116 31.823 -0.558 0.000 0.730 423 V HN 0.286 nan 8.190 nan 0.000 0.503 424 F N -0.729 119.211 119.950 -0.016 0.000 2.557 424 F HA 0.037 4.564 4.527 0.000 0.000 0.278 424 F C 2.544 178.343 175.800 -0.003 0.000 1.051 424 F CA 1.009 58.995 58.000 -0.025 0.000 1.357 424 F CB -1.012 37.938 39.000 -0.084 0.000 1.104 424 F HN 0.152 nan 8.300 nan 0.000 0.654 425 T N -2.492 112.164 114.554 0.170 0.000 2.770 425 T HA 0.274 4.624 4.350 0.000 0.000 0.263 425 T C 2.117 176.871 174.700 0.091 0.000 1.039 425 T CA 1.319 63.491 62.100 0.119 0.000 1.142 425 T CB -0.717 68.204 68.868 0.088 0.000 0.868 425 T HN 0.488 nan 8.240 nan 0.000 0.435 426 G N 1.991 110.823 108.800 0.054 0.000 2.358 426 G HA2 -0.198 3.762 3.960 0.000 0.000 0.224 426 G HA3 -0.198 3.762 3.960 0.000 0.000 0.224 426 G C 0.063 174.981 174.900 0.031 0.000 1.073 426 G CA -0.077 45.043 45.100 0.034 0.000 0.635 426 G HN 0.775 nan 8.290 nan 0.000 0.509 427 I N 2.250 122.845 120.570 0.042 0.000 2.336 427 I HA 0.507 4.677 4.170 0.000 0.000 0.292 427 I C -2.113 174.021 176.117 0.029 0.000 0.991 427 I CA -2.480 58.840 61.300 0.033 0.000 1.227 427 I CB 1.459 39.482 38.000 0.039 0.000 1.366 427 I HN -0.136 nan 8.210 nan 0.000 0.466 428 P HA 0.010 nan 4.420 nan 0.000 0.267 428 P C 0.283 177.594 177.300 0.019 0.000 1.195 428 P CA -0.019 63.088 63.100 0.012 0.000 0.773 428 P CB 0.398 32.097 31.700 -0.000 0.000 0.837 429 G N 2.338 111.147 108.800 0.016 0.000 2.432 429 G HA2 0.337 4.297 3.960 0.000 0.000 0.257 429 G HA3 0.337 4.297 3.960 0.000 0.000 0.257 429 G C -0.599 174.297 174.900 -0.007 0.000 1.238 429 G CA -0.520 44.594 45.100 0.022 0.000 0.838 429 G HN 0.308 nan 8.290 nan 0.000 0.547 430 K N 1.951 122.353 120.400 0.004 0.000 2.259 430 K HA 0.388 4.708 4.320 0.000 0.000 0.252 430 K C -1.217 175.364 176.600 -0.032 0.000 0.936 430 K CA -0.844 55.434 56.287 -0.014 0.000 0.810 430 K CB 2.952 35.451 32.500 -0.002 0.000 1.143 430 K HN 0.359 nan 8.250 nan 0.000 0.427 431 L N 2.836 124.031 121.223 -0.046 0.000 2.301 431 L HA 0.235 4.575 4.340 0.000 0.000 0.278 431 L C -0.984 175.863 176.870 -0.039 0.000 1.022 431 L CA -0.898 53.906 54.840 -0.059 0.000 0.854 431 L CB 1.094 43.109 42.059 -0.074 0.000 1.226 431 L HN 0.303 nan 8.230 nan 0.000 0.429 432 V N 4.484 124.378 119.914 -0.033 0.000 2.432 432 V HA 0.426 4.546 4.120 0.000 0.000 0.271 432 V C 1.020 177.102 176.094 -0.019 0.000 1.046 432 V CA -0.306 61.980 62.300 -0.023 0.000 0.945 432 V CB 0.776 32.582 31.823 -0.028 0.000 0.992 432 V HN 0.864 nan 8.190 nan 0.000 0.471 433 R N 3.387 123.882 120.500 -0.008 0.000 2.738 433 R HA 0.375 4.715 4.340 0.000 0.000 0.268 433 R C 1.110 177.416 176.300 0.008 0.000 1.062 433 R CA 0.510 56.610 56.100 -0.000 0.000 1.158 433 R CB -0.226 30.078 30.300 0.007 0.000 1.046 433 R HN 0.902 nan 8.270 nan 0.000 0.493 434 L N 1.547 122.781 121.223 0.018 0.000 1.970 434 L HA -0.134 4.206 4.340 0.000 0.000 0.212 434 L C 3.061 179.953 176.870 0.036 0.000 1.071 434 L CA 3.201 58.063 54.840 0.036 0.000 0.751 434 L CB -0.592 41.508 42.059 0.069 0.000 0.889 434 L HN 0.876 nan 8.230 nan 0.000 0.432 435 K N -0.531 119.897 120.400 0.047 0.000 2.103 435 K HA -0.300 4.020 4.320 0.000 0.000 0.207 435 K C 1.709 178.331 176.600 0.036 0.000 1.048 435 K CA 2.102 58.417 56.287 0.047 0.000 0.930 435 K CB -1.496 31.034 32.500 0.049 0.000 0.716 435 K HN 0.713 nan 8.250 nan 0.000 0.444 436 D N -0.520 119.900 120.400 0.033 0.000 2.117 436 D HA -0.098 4.542 4.640 0.000 0.000 0.198 436 D C 2.008 178.341 176.300 0.055 0.000 0.982 436 D CA 1.933 55.958 54.000 0.040 0.000 0.828 436 D CB 0.006 40.824 40.800 0.030 0.000 0.967 436 D HN 0.431 nan 8.370 nan 0.000 0.464 437 T N -0.421 114.157 114.554 0.040 0.000 2.720 437 T HA -0.142 4.208 4.350 0.000 0.000 0.268 437 T C 2.065 176.822 174.700 0.095 0.000 1.037 437 T CA 1.308 63.447 62.100 0.066 0.000 1.144 437 T CB -0.413 68.455 68.868 0.000 0.000 0.864 437 T HN -0.004 nan 8.240 nan 0.000 0.444 438 V N 1.914 121.822 119.914 -0.010 0.000 2.223 438 V HA -0.176 3.944 4.120 0.000 0.000 0.244 438 V C 2.943 179.078 176.094 0.067 0.000 1.045 438 V CA 1.868 64.129 62.300 -0.064 0.000 1.000 438 V CB -1.313 30.403 31.823 -0.179 0.000 0.635 438 V HN 0.544 nan 8.190 nan 0.000 0.445 439 A N -0.690 122.173 122.820 0.073 0.000 2.067 439 A HA -0.160 4.160 4.320 0.000 0.000 0.219 439 A C 2.438 180.105 177.584 0.138 0.000 1.158 439 A CA 1.877 53.973 52.037 0.098 0.000 0.661 439 A CB -0.590 18.455 19.000 0.076 0.000 0.801 439 A HN 0.499 nan 8.150 nan 0.000 0.452 440 S N -0.778 115.021 115.700 0.165 0.000 2.348 440 S HA -0.121 4.349 4.470 0.000 0.000 0.221 440 S C 1.508 176.243 174.600 0.224 0.000 1.033 440 S CA 1.553 59.868 58.200 0.192 0.000 1.010 440 S CB -0.491 62.836 63.200 0.212 0.000 0.891 440 S HN 0.589 nan 8.310 nan 0.000 0.442 441 F N 1.671 121.737 119.950 0.193 0.000 2.407 441 F HA 0.106 4.633 4.527 0.000 0.000 0.299 441 F C 2.177 178.058 175.800 0.135 0.000 1.097 441 F CA 0.674 58.796 58.000 0.203 0.000 1.422 441 F CB -0.133 38.943 39.000 0.126 0.000 1.067 441 F HN 0.094 nan 8.300 nan 0.000 0.539 442 K N 0.437 120.987 120.400 0.250 0.000 2.057 442 K HA -0.138 4.182 4.320 0.000 0.000 0.206 442 K C 2.260 178.956 176.600 0.160 0.000 1.050 442 K CA 1.191 57.580 56.287 0.170 0.000 0.935 442 K CB -0.221 32.353 32.500 0.124 0.000 0.715 442 K HN 0.193 nan 8.250 nan 0.000 0.439 443 A N 0.427 123.354 122.820 0.180 0.000 1.969 443 A HA -0.065 4.255 4.320 0.000 0.000 0.218 443 A C 2.104 179.895 177.584 0.344 0.000 1.169 443 A CA 1.269 53.453 52.037 0.245 0.000 0.635 443 A CB -0.304 18.881 19.000 0.308 0.000 0.810 443 A HN 0.170 nan 8.150 nan 0.000 0.445 444 V N -0.130 119.915 119.914 0.218 0.000 2.453 444 V HA -0.156 3.964 4.120 0.000 0.000 0.247 444 V C 2.350 178.528 176.094 0.141 0.000 1.048 444 V CA 1.466 63.859 62.300 0.155 0.000 1.049 444 V CB -0.661 31.090 31.823 -0.121 0.000 0.672 444 V HN 0.553 nan 8.190 nan 0.000 0.457 445 L N -0.250 121.062 121.223 0.148 0.000 2.376 445 L HA -0.078 4.263 4.340 0.000 0.000 0.219 445 L C 2.176 179.095 176.870 0.082 0.000 1.133 445 L CA 1.035 55.945 54.840 0.117 0.000 0.816 445 L CB -0.372 41.766 42.059 0.131 0.000 0.933 445 L HN 0.380 nan 8.230 nan 0.000 0.449 446 E N 0.044 120.295 120.200 0.084 0.000 2.502 446 E HA 0.016 4.367 4.350 0.000 0.000 0.194 446 E C 1.283 177.887 176.600 0.008 0.000 1.062 446 E CA 0.421 56.845 56.400 0.041 0.000 0.867 446 E CB 0.085 29.804 29.700 0.032 0.000 0.888 446 E HN 0.455 nan 8.360 nan 0.000 0.510 447 G N 1.925 110.741 108.800 0.027 0.000 2.249 447 G HA2 -0.363 3.597 3.960 0.000 0.000 0.273 447 G HA3 -0.363 3.597 3.960 0.000 0.000 0.273 447 G C 0.609 175.470 174.900 -0.065 0.000 1.036 447 G CA 0.595 45.695 45.100 0.000 0.000 0.824 447 G HN 0.269 nan 8.290 nan 0.000 0.504 448 K N -0.956 119.349 120.400 -0.159 0.000 2.458 448 K HA 0.272 4.592 4.320 0.000 0.000 0.194 448 K C 0.248 176.401 176.600 -0.745 0.000 1.024 448 K CA 0.358 56.360 56.287 -0.475 0.000 1.108 448 K CB 0.212 32.321 32.500 -0.652 0.000 0.846 448 K HN 0.611 nan 8.250 nan 0.000 0.518 449 Y N -1.025 119.272 120.300 -0.005 0.000 2.777 449 Y HA 0.142 4.692 4.550 0.000 0.000 0.248 449 Y C 0.567 176.497 175.900 0.050 0.000 1.127 449 Y CA -0.750 57.366 58.100 0.026 0.000 1.149 449 Y CB 0.431 38.929 38.460 0.063 0.000 1.230 449 Y HN -0.020 nan 8.280 nan 0.000 0.586 450 D N 1.001 121.451 120.400 0.084 0.000 2.219 450 D HA -0.133 4.507 4.640 0.000 0.000 0.205 450 D C 1.458 177.787 176.300 0.049 0.000 0.970 450 D CA 1.324 55.350 54.000 0.044 0.000 0.851 450 D CB 0.083 40.883 40.800 -0.000 0.000 0.943 450 D HN 0.527 nan 8.370 nan 0.000 0.488 451 N N 0.823 119.554 118.700 0.052 0.000 2.422 451 N HA -0.058 4.683 4.740 0.000 0.000 0.181 451 N C 0.742 176.290 175.510 0.064 0.000 1.080 451 N CA 0.060 53.135 53.050 0.041 0.000 0.893 451 N CB -0.069 38.428 38.487 0.016 0.000 0.973 451 N HN 0.188 nan 8.380 nan 0.000 0.456 452 I N 1.409 122.046 120.570 0.112 0.000 2.428 452 I HA 0.273 4.443 4.170 0.000 0.000 0.289 452 I C -2.038 174.172 176.117 0.155 0.000 1.019 452 I CA -2.186 59.184 61.300 0.116 0.000 1.351 452 I CB 0.346 38.408 38.000 0.102 0.000 1.412 452 I HN -0.292 nan 8.210 nan 0.000 0.513 453 P HA -0.059 nan 4.420 nan 0.000 0.259 453 P C 0.449 177.882 177.300 0.223 0.000 1.163 453 P CA 0.418 63.595 63.100 0.128 0.000 0.760 453 P CB 0.475 32.231 31.700 0.094 0.000 0.762 454 E N 1.546 121.871 120.200 0.209 0.000 2.110 454 E HA -0.218 4.132 4.350 0.000 0.000 0.193 454 E C 1.071 177.865 176.600 0.323 0.000 0.988 454 E CA 0.838 57.381 56.400 0.238 0.000 0.804 454 E CB -0.116 29.631 29.700 0.078 0.000 0.745 454 E HN 0.592 nan 8.360 nan 0.000 0.458 455 H N -1.025 118.148 119.070 0.170 0.000 2.607 455 H HA 0.180 4.737 4.556 0.000 0.000 0.288 455 H C 1.063 176.512 175.328 0.203 0.000 1.058 455 H CA 0.367 56.512 56.048 0.162 0.000 1.178 455 H CB 0.435 30.213 29.762 0.027 0.000 1.340 455 H HN 0.134 nan 8.280 nan 0.000 0.591 456 A N -0.532 122.430 122.820 0.238 0.000 2.063 456 A HA 0.050 4.370 4.320 0.000 0.000 0.211 456 A C 1.633 179.226 177.584 0.014 0.000 1.177 456 A CA -0.140 51.949 52.037 0.087 0.000 0.759 456 A CB -0.381 18.597 19.000 -0.037 0.000 0.857 456 A HN 0.235 nan 8.150 nan 0.000 0.468 457 F N -1.340 118.623 119.950 0.022 0.000 2.365 457 F HA 0.008 4.535 4.527 0.000 0.000 0.300 457 F C 1.027 176.905 175.800 0.130 0.000 1.090 457 F CA 0.513 58.549 58.000 0.059 0.000 1.408 457 F CB -0.298 38.704 39.000 0.004 0.000 1.060 457 F HN 0.339 nan 8.300 nan 0.000 0.534 458 Y N 1.155 121.518 120.300 0.105 0.000 2.465 458 Y HA 0.242 4.792 4.550 0.000 0.000 0.331 458 Y C 0.686 176.604 175.900 0.031 0.000 1.102 458 Y CA -1.377 56.703 58.100 -0.034 0.000 1.358 458 Y CB 0.324 38.533 38.460 -0.419 0.000 1.213 458 Y HN 0.139 nan 8.280 nan 0.000 0.525 459 M N 5.022 124.285 119.600 -0.561 0.000 2.298 459 M HA -0.168 4.312 4.480 0.000 0.000 0.196 459 M C -1.611 174.618 176.300 -0.118 0.000 0.531 459 M CA 1.269 56.317 55.300 -0.420 0.000 0.459 459 M CB -1.482 30.780 32.600 -0.564 0.000 1.279 459 M HN 0.527 nan 8.290 nan 0.000 0.915 460 V N -3.194 116.691 119.914 -0.048 0.000 3.105 460 V HA 1.100 5.220 4.120 0.000 0.000 0.311 460 V C 0.851 176.944 176.094 -0.002 0.000 1.287 460 V CA -0.379 61.921 62.300 0.000 0.000 1.066 460 V CB 1.276 33.115 31.823 0.027 0.000 1.105 460 V HN 0.467 nan 8.190 nan 0.000 0.462 461 G N -0.332 108.470 108.800 0.003 0.000 2.803 461 G HA2 0.542 4.503 3.960 0.000 0.000 0.177 461 G HA3 0.542 4.503 3.960 0.000 0.000 0.177 461 G C 0.564 175.443 174.900 -0.034 0.000 1.629 461 G CA -0.012 45.079 45.100 -0.015 0.000 1.077 461 G HN 1.411 nan 8.290 nan 0.000 0.556 462 G N -0.960 107.828 108.800 -0.019 0.000 2.679 462 G HA2 0.275 4.235 3.960 0.000 0.000 0.202 462 G HA3 0.275 4.235 3.960 0.000 0.000 0.202 462 G C 1.135 176.132 174.900 0.162 0.000 1.566 462 G CA 0.218 45.316 45.100 -0.003 0.000 1.074 462 G HN 0.434 nan 8.290 nan 0.000 0.564 463 I N 0.143 120.805 120.570 0.153 0.000 2.394 463 I HA -0.048 4.122 4.170 0.000 0.000 0.251 463 I C 2.624 178.718 176.117 -0.037 0.000 1.136 463 I CA 1.410 62.744 61.300 0.056 0.000 1.425 463 I CB -0.180 37.831 38.000 0.018 0.000 1.079 463 I HN 0.598 nan 8.210 nan 0.000 0.425 464 E N -0.085 120.112 120.200 -0.004 0.000 2.204 464 E HA -0.210 4.141 4.350 0.000 0.000 0.194 464 E C 1.162 177.742 176.600 -0.034 0.000 0.989 464 E CA 1.362 57.751 56.400 -0.018 0.000 0.824 464 E CB -0.128 29.571 29.700 -0.003 0.000 0.756 464 E HN 0.546 nan 8.360 nan 0.000 0.477 465 D N -0.298 120.087 120.400 -0.025 0.000 2.348 465 D HA -0.037 4.603 4.640 0.000 0.000 0.211 465 D C 1.746 177.995 176.300 -0.086 0.000 0.998 465 D CA 0.182 54.162 54.000 -0.033 0.000 0.873 465 D CB 0.400 41.198 40.800 -0.003 0.000 0.925 465 D HN -0.032 nan 8.370 nan 0.000 0.524 466 V N 0.195 120.010 119.914 -0.165 0.000 2.270 466 V HA -0.195 3.925 4.120 0.000 0.000 0.245 466 V C 2.419 178.330 176.094 -0.305 0.000 1.043 466 V CA 1.127 63.197 62.300 -0.383 0.000 1.014 466 V CB -0.642 30.739 31.823 -0.736 0.000 0.645 466 V HN 0.094 nan 8.190 nan 0.000 0.447 467 V N 0.507 120.292 119.914 -0.214 0.000 2.427 467 V HA -0.192 3.928 4.120 0.000 0.000 0.248 467 V C 2.741 178.786 176.094 -0.082 0.000 1.051 467 V CA 1.789 64.015 62.300 -0.123 0.000 1.048 467 V CB -1.214 30.570 31.823 -0.066 0.000 0.666 467 V HN 0.535 nan 8.190 nan 0.000 0.456 468 A N 0.471 123.248 122.820 -0.071 0.000 1.902 468 A HA -0.203 4.117 4.320 0.000 0.000 0.217 468 A C 2.436 179.998 177.584 -0.038 0.000 1.181 468 A CA 2.481 54.492 52.037 -0.043 0.000 0.623 468 A CB -0.624 18.357 19.000 -0.031 0.000 0.818 468 A HN 0.539 nan 8.150 nan 0.000 0.443 469 K N -0.679 119.689 120.400 -0.054 0.000 2.296 469 K HA 0.434 4.754 4.320 0.000 0.000 0.200 469 K C 2.178 178.757 176.600 -0.036 0.000 1.048 469 K CA 1.494 57.762 56.287 -0.032 0.000 0.966 469 K CB -1.016 31.468 32.500 -0.026 0.000 0.754 469 K HN 0.790 nan 8.250 nan 0.000 0.466 470 A N 0.968 123.745 122.820 -0.071 0.000 1.898 470 A HA 0.182 4.502 4.320 0.000 0.000 0.214 470 A C 2.454 180.023 177.584 -0.026 0.000 1.183 470 A CA 1.719 53.721 52.037 -0.057 0.000 0.622 470 A CB -0.579 18.366 19.000 -0.092 0.000 0.824 470 A HN 0.654 nan 8.150 nan 0.000 0.444 471 E N -0.373 119.811 120.200 -0.026 0.000 2.208 471 E HA -0.077 4.273 4.350 0.000 0.000 0.193 471 E C 2.107 178.704 176.600 -0.005 0.000 0.988 471 E CA 2.082 58.474 56.400 -0.013 0.000 0.828 471 E CB -1.149 28.543 29.700 -0.014 0.000 0.763 471 E HN 0.815 nan 8.360 nan 0.000 0.478 472 K N 0.520 120.918 120.400 -0.003 0.000 2.103 472 K HA 0.240 4.560 4.320 0.000 0.000 0.204 472 K C 2.255 178.862 176.600 0.011 0.000 1.052 472 K CA 1.195 57.485 56.287 0.006 0.000 0.945 472 K CB -0.634 31.872 32.500 0.011 0.000 0.722 472 K HN 0.443 nan 8.250 nan 0.000 0.443 473 L N -0.168 121.063 121.223 0.013 0.000 2.395 473 L HA 0.101 4.441 4.340 0.000 0.000 0.218 473 L C 2.996 179.874 176.870 0.013 0.000 1.130 473 L CA 0.679 55.531 54.840 0.019 0.000 0.826 473 L CB -0.198 41.879 42.059 0.030 0.000 0.941 473 L HN 0.419 nan 8.230 nan 0.000 0.451 474 A N 0.271 123.095 122.820 0.008 0.000 1.897 474 A HA 0.262 4.583 4.320 0.000 0.000 0.215 474 A C 1.359 178.947 177.584 0.005 0.000 1.181 474 A CA 1.299 53.340 52.037 0.006 0.000 0.620 474 A CB -0.219 18.782 19.000 0.002 0.000 0.821 474 A HN 0.345 nan 8.150 nan 0.000 0.443 475 A N 0.000 122.823 122.820 0.005 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.040 52.037 0.004 0.000 0.836 475 A CB 0.000 19.002 19.000 0.003 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486