REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2hld_1_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 VAKAEKLA 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 0.000 174.707 174.700 0.011 0.000 1.109 7 T CA 0.000 62.105 62.100 0.008 0.000 1.349 7 T CB 0.000 68.873 68.868 0.008 0.000 0.612 8 P HA 0.491 nan 4.420 nan 0.000 0.271 8 P C -0.140 177.186 177.300 0.043 0.000 1.233 8 P CA -0.516 62.598 63.100 0.023 0.000 0.764 8 P CB 0.096 31.811 31.700 0.024 0.000 0.825 9 I N 2.405 123.002 120.570 0.046 0.000 2.683 9 I HA 0.111 4.281 4.170 0.000 0.000 0.286 9 I C 1.166 177.407 176.117 0.207 0.000 1.175 9 I CA 0.723 62.078 61.300 0.091 0.000 1.429 9 I CB -0.240 37.764 38.000 0.006 0.000 1.371 9 I HN 0.397 nan 8.210 nan 0.000 0.569 10 T N 2.185 116.877 114.554 0.230 0.000 2.908 10 T HA 0.922 5.272 4.350 0.000 0.000 0.290 10 T C -0.134 174.571 174.700 0.009 0.000 1.034 10 T CA -0.773 61.422 62.100 0.159 0.000 1.010 10 T CB 1.913 70.806 68.868 0.042 0.000 1.068 10 T HN 0.856 nan 8.240 nan 0.000 0.481 11 G N 0.591 109.155 108.800 -0.393 0.000 2.727 11 G HA2 0.663 4.623 3.960 0.000 0.000 0.289 11 G HA3 0.663 4.623 3.960 0.000 0.000 0.289 11 G C -1.769 172.860 174.900 -0.452 0.000 1.418 11 G CA -1.152 43.442 45.100 -0.845 0.000 0.818 11 G HN 0.765 nan 8.290 nan 0.000 0.486 12 K N -0.202 119.986 120.400 -0.354 0.000 2.207 12 K HA 0.559 4.879 4.320 0.000 0.000 0.255 12 K C -0.474 176.041 176.600 -0.142 0.000 0.941 12 K CA -0.730 55.454 56.287 -0.172 0.000 0.825 12 K CB 2.772 35.224 32.500 -0.080 0.000 1.119 12 K HN 0.215 nan 8.250 nan 0.000 0.430 13 V N 2.999 122.858 119.914 -0.092 0.000 2.485 13 V HA -0.055 4.065 4.120 0.000 0.000 0.287 13 V C 1.329 177.400 176.094 -0.039 0.000 1.022 13 V CA 0.614 62.880 62.300 -0.056 0.000 1.067 13 V CB 0.546 32.347 31.823 -0.037 0.000 0.967 13 V HN 1.055 nan 8.190 nan 0.000 0.479 14 T N 1.299 115.837 114.554 -0.027 0.000 3.014 14 T HA 0.555 4.905 4.350 0.000 0.000 0.250 14 T C 0.418 175.106 174.700 -0.020 0.000 1.060 14 T CA 0.469 62.553 62.100 -0.027 0.000 1.040 14 T CB 0.506 69.354 68.868 -0.033 0.000 0.971 14 T HN 1.032 nan 8.240 nan 0.000 0.497 15 A N 0.521 123.334 122.820 -0.011 0.000 2.532 15 A HA 0.642 4.962 4.320 0.000 0.000 0.296 15 A C -1.511 176.073 177.584 -0.001 0.000 1.058 15 A CA -0.704 51.330 52.037 -0.006 0.000 0.729 15 A CB 1.605 20.603 19.000 -0.003 0.000 1.285 15 A HN 0.269 nan 8.150 nan 0.000 0.396 16 V N 2.663 122.575 119.914 -0.003 0.000 2.483 16 V HA 0.600 4.721 4.120 0.000 0.000 0.297 16 V C -0.827 175.267 176.094 -0.000 0.000 1.027 16 V CA -0.154 62.145 62.300 -0.000 0.000 0.855 16 V CB 1.314 33.136 31.823 -0.002 0.000 0.995 16 V HN 0.695 nan 8.190 nan 0.000 0.424 17 I N 4.345 124.916 120.570 0.002 0.000 2.517 17 I HA 0.651 4.821 4.170 0.000 0.000 0.280 17 I C 0.985 177.103 176.117 0.000 0.000 1.061 17 I CA 0.157 61.457 61.300 0.000 0.000 1.091 17 I CB 1.441 39.441 38.000 0.000 0.000 1.205 17 I HN 0.811 nan 8.210 nan 0.000 0.459 18 G N 4.712 113.512 108.800 -0.000 0.000 2.686 18 G HA2 -0.402 3.558 3.960 0.000 0.000 0.329 18 G HA3 -0.402 3.558 3.960 0.000 0.000 0.329 18 G C 0.995 175.896 174.900 0.002 0.000 1.187 18 G CA 0.813 45.913 45.100 -0.001 0.000 0.965 18 G HN 0.867 nan 8.290 nan 0.000 0.549 19 A N -0.558 122.262 122.820 0.002 0.000 2.238 19 A HA 0.580 4.900 4.320 0.000 0.000 0.210 19 A C 0.841 178.430 177.584 0.009 0.000 1.179 19 A CA 0.910 52.950 52.037 0.005 0.000 0.827 19 A CB 0.087 19.088 19.000 0.001 0.000 0.856 19 A HN 0.565 nan 8.150 nan 0.000 0.488 20 I N 1.255 121.830 120.570 0.008 0.000 2.339 20 I HA 0.346 4.516 4.170 0.000 0.000 0.290 20 I C -0.658 175.468 176.117 0.015 0.000 0.994 20 I CA -0.962 60.346 61.300 0.013 0.000 1.191 20 I CB 1.096 39.103 38.000 0.011 0.000 1.343 20 I HN -0.142 nan 8.210 nan 0.000 0.458 21 V N 5.751 125.679 119.914 0.022 0.000 2.448 21 V HA 0.401 4.521 4.120 0.000 0.000 0.295 21 V C -0.494 175.619 176.094 0.032 0.000 1.025 21 V CA -0.798 61.514 62.300 0.021 0.000 0.859 21 V CB 2.197 34.032 31.823 0.020 0.000 0.988 21 V HN 0.534 nan 8.190 nan 0.000 0.431 22 D N 3.309 123.724 120.400 0.026 0.000 2.232 22 D HA 0.574 5.214 4.640 0.000 0.000 0.242 22 D C -0.543 175.774 176.300 0.028 0.000 1.093 22 D CA 0.006 54.029 54.000 0.038 0.000 0.845 22 D CB 2.118 42.936 40.800 0.030 0.000 1.124 22 D HN 0.265 nan 8.370 nan 0.000 0.467 23 V N 2.359 122.302 119.914 0.050 0.000 2.604 23 V HA 0.263 4.383 4.120 0.000 0.000 0.305 23 V C -0.523 175.571 176.094 0.001 0.000 1.043 23 V CA -0.854 61.433 62.300 -0.022 0.000 0.888 23 V CB 1.909 33.702 31.823 -0.050 0.000 0.995 23 V HN 0.529 nan 8.190 nan 0.000 0.429 24 H N 3.671 122.606 119.070 -0.226 0.000 2.457 24 H HA 0.686 5.242 4.556 0.000 0.000 0.335 24 H C -1.616 173.511 175.328 -0.335 0.000 1.115 24 H CA -0.802 55.158 56.048 -0.147 0.000 1.219 24 H CB 1.169 30.873 29.762 -0.096 0.000 1.471 24 H HN 0.443 nan 8.280 nan 0.000 0.491 25 F N 3.612 123.202 119.950 -0.600 0.000 2.467 25 F HA 0.217 4.744 4.527 0.000 0.000 0.336 25 F C 1.297 176.755 175.800 -0.571 0.000 1.123 25 F CA -0.700 57.035 58.000 -0.442 0.000 0.964 25 F CB 1.827 40.681 39.000 -0.243 0.000 1.136 25 F HN 0.611 nan 8.300 nan 0.000 0.447 26 E N 1.718 121.799 120.200 -0.199 0.000 2.038 26 E HA -0.181 4.169 4.350 0.000 0.000 0.195 26 E C 0.765 177.335 176.600 -0.050 0.000 1.000 26 E CA 1.274 57.607 56.400 -0.112 0.000 0.803 26 E CB -0.162 29.523 29.700 -0.025 0.000 0.750 26 E HN 0.810 nan 8.360 nan 0.000 0.448 27 Q N -0.814 118.976 119.800 -0.017 0.000 2.448 27 Q HA 0.391 4.731 4.340 0.000 0.000 0.192 27 Q C 1.348 177.332 176.000 -0.028 0.000 1.001 27 Q CA -0.229 55.567 55.803 -0.013 0.000 1.018 27 Q CB 0.563 29.299 28.738 -0.003 0.000 1.290 27 Q HN -0.144 nan 8.270 nan 0.000 0.517 28 S N -0.677 115.007 115.700 -0.027 0.000 2.400 28 S HA -0.119 4.351 4.470 0.000 0.000 0.232 28 S C -0.105 174.454 174.600 -0.067 0.000 1.025 28 S CA 1.230 59.408 58.200 -0.038 0.000 0.993 28 S CB -0.253 62.931 63.200 -0.026 0.000 0.808 28 S HN 0.522 nan 8.310 nan 0.000 0.478 29 E N 0.773 120.927 120.200 -0.077 0.000 2.180 29 E HA 0.443 4.794 4.350 0.000 0.000 0.283 29 E C -1.256 175.203 176.600 -0.235 0.000 1.061 29 E CA -0.025 56.304 56.400 -0.119 0.000 0.861 29 E CB 1.034 30.678 29.700 -0.094 0.000 1.056 29 E HN 0.156 nan 8.360 nan 0.000 0.407 30 L N 5.569 126.630 121.223 -0.271 0.000 2.346 30 L HA 0.448 4.788 4.340 0.000 0.000 0.276 30 L C -2.162 174.498 176.870 -0.350 0.000 1.006 30 L CA -2.161 52.409 54.840 -0.449 0.000 0.817 30 L CB 1.359 43.145 42.059 -0.454 0.000 1.272 30 L HN 0.451 nan 8.230 nan 0.000 0.421 31 P HA 0.161 nan 4.420 nan 0.000 0.267 31 P C -0.691 176.618 177.300 0.015 0.000 1.205 31 P CA -0.352 62.615 63.100 -0.221 0.000 0.765 31 P CB 0.719 32.268 31.700 -0.252 0.000 0.828 32 A N 4.463 127.280 122.820 -0.005 0.000 2.466 32 A HA 0.150 4.470 4.320 0.000 0.000 0.238 32 A C 0.683 178.238 177.584 -0.048 0.000 1.074 32 A CA -0.403 51.626 52.037 -0.013 0.000 0.774 32 A CB -0.409 18.565 19.000 -0.044 0.000 1.015 32 A HN 0.570 nan 8.150 nan 0.000 0.498 33 I N 0.983 121.461 120.570 -0.153 0.000 2.683 33 I HA -0.001 4.170 4.170 0.000 0.000 0.286 33 I C 0.658 176.693 176.117 -0.136 0.000 1.175 33 I CA 0.836 62.041 61.300 -0.158 0.000 1.429 33 I CB 0.095 37.963 38.000 -0.221 0.000 1.371 33 I HN 0.727 nan 8.210 nan 0.000 0.569 34 L N 2.181 123.325 121.223 -0.131 0.000 3.853 34 L HA -0.225 4.115 4.340 0.000 0.000 0.416 34 L C 0.220 177.051 176.870 -0.066 0.000 0.766 34 L CA -0.060 54.669 54.840 -0.184 0.000 2.383 34 L CB -1.543 40.307 42.059 -0.348 0.000 1.276 34 L HN 0.661 nan 8.230 nan 0.000 0.597 35 N N 1.181 119.861 118.700 -0.034 0.000 2.453 35 N HA 0.491 5.231 4.740 0.000 0.000 0.253 35 N C 0.271 175.797 175.510 0.026 0.000 1.252 35 N CA 0.909 53.958 53.050 -0.001 0.000 0.917 35 N CB 0.751 39.231 38.487 -0.010 0.000 1.117 35 N HN 0.309 nan 8.380 nan 0.000 0.442 36 A N 1.953 124.795 122.820 0.036 0.000 2.290 36 A HA 0.600 4.920 4.320 0.000 0.000 0.310 36 A C -0.319 177.296 177.584 0.051 0.000 1.202 36 A CA -0.525 51.540 52.037 0.047 0.000 0.837 36 A CB 0.123 19.148 19.000 0.043 0.000 1.139 36 A HN 0.591 nan 8.150 nan 0.000 0.509 37 L N 1.306 122.568 121.223 0.065 0.000 2.313 37 L HA 0.665 5.005 4.340 0.000 0.000 0.268 37 L C -0.004 176.903 176.870 0.062 0.000 1.010 37 L CA -0.629 54.261 54.840 0.083 0.000 0.814 37 L CB 1.820 43.954 42.059 0.126 0.000 1.304 37 L HN 0.731 nan 8.230 nan 0.000 0.441 38 E N 1.268 121.503 120.200 0.059 0.000 2.272 38 E HA 0.594 4.944 4.350 0.000 0.000 0.269 38 E C -1.418 175.200 176.600 0.030 0.000 0.877 38 E CA -0.525 55.898 56.400 0.039 0.000 0.755 38 E CB 3.175 32.894 29.700 0.032 0.000 1.192 38 E HN 0.370 nan 8.360 nan 0.000 0.422 39 I N 2.335 122.917 120.570 0.020 0.000 2.474 39 I HA 0.287 4.457 4.170 0.000 0.000 0.294 39 I C -0.279 175.843 176.117 0.008 0.000 1.005 39 I CA -0.874 60.432 61.300 0.010 0.000 1.113 39 I CB 1.617 39.620 38.000 0.005 0.000 1.289 39 I HN 0.198 nan 8.210 nan 0.000 0.436 40 K N 4.814 125.217 120.400 0.005 0.000 2.316 40 K HA 0.322 4.642 4.320 0.000 0.000 0.289 40 K C -0.186 176.415 176.600 0.002 0.000 1.070 40 K CA -0.319 55.971 56.287 0.004 0.000 0.928 40 K CB 0.869 33.371 32.500 0.003 0.000 1.039 40 K HN 0.651 nan 8.250 nan 0.000 0.480 41 T N -0.565 113.991 114.554 0.003 0.000 2.945 41 T HA 0.301 4.651 4.350 0.000 0.000 0.286 41 T C -1.510 173.191 174.700 0.002 0.000 1.025 41 T CA -1.910 60.191 62.100 0.002 0.000 1.039 41 T CB 1.521 70.391 68.868 0.003 0.000 1.068 41 T HN 0.268 nan 8.240 nan 0.000 0.497 42 P HA -0.107 nan 4.420 nan 0.000 0.220 42 P C 1.315 178.616 177.300 0.001 0.000 1.148 42 P CA 0.944 64.044 63.100 0.001 0.000 0.803 42 P CB 0.214 31.914 31.700 0.000 0.000 0.782 43 Q N -0.349 119.452 119.800 0.002 0.000 1.942 43 Q HA -0.012 4.328 4.340 0.000 0.000 0.203 43 Q C 1.908 177.910 176.000 0.003 0.000 0.987 43 Q CA 2.234 58.038 55.803 0.002 0.000 0.844 43 Q CB -0.973 27.767 28.738 0.003 0.000 0.911 43 Q HN 0.365 nan 8.270 nan 0.000 0.423 44 G N -0.393 108.409 108.800 0.004 0.000 3.504 44 G HA2 0.245 4.205 3.960 0.000 0.000 0.157 44 G HA3 0.245 4.205 3.960 0.000 0.000 0.157 44 G C -1.095 173.808 174.900 0.005 0.000 1.245 44 G CA 0.076 45.178 45.100 0.004 0.000 1.410 44 G HN 0.212 nan 8.290 nan 0.000 0.731 45 K N -0.368 120.036 120.400 0.007 0.000 2.498 45 K HA 0.742 5.062 4.320 0.000 0.000 0.254 45 K C -1.943 174.664 176.600 0.011 0.000 0.933 45 K CA -0.845 55.448 56.287 0.009 0.000 0.806 45 K CB 2.783 35.289 32.500 0.010 0.000 1.301 45 K HN 0.528 nan 8.250 nan 0.000 0.432 46 L N 2.611 123.841 121.223 0.012 0.000 2.282 46 L HA 0.444 4.784 4.340 0.000 0.000 0.288 46 L C -1.349 175.533 176.870 0.020 0.000 1.033 46 L CA -0.429 54.420 54.840 0.015 0.000 0.807 46 L CB 1.841 43.908 42.059 0.013 0.000 1.209 46 L HN 0.567 nan 8.230 nan 0.000 0.423 47 V N 6.564 126.492 119.914 0.023 0.000 2.394 47 V HA 0.438 4.558 4.120 0.000 0.000 0.282 47 V C 0.148 176.264 176.094 0.036 0.000 1.031 47 V CA -0.452 61.866 62.300 0.030 0.000 0.881 47 V CB 1.296 33.136 31.823 0.029 0.000 0.982 47 V HN 0.655 nan 8.190 nan 0.000 0.451 48 L N 4.138 125.387 121.223 0.044 0.000 2.334 48 L HA 0.666 5.006 4.340 0.000 0.000 0.273 48 L C -0.065 176.840 176.870 0.057 0.000 1.013 48 L CA -0.477 54.393 54.840 0.050 0.000 0.816 48 L CB 1.963 44.056 42.059 0.056 0.000 1.278 48 L HN 0.641 nan 8.230 nan 0.000 0.431 49 E N 1.653 121.887 120.200 0.057 0.000 2.165 49 E HA 0.354 4.704 4.350 0.000 0.000 0.266 49 E C -1.282 175.345 176.600 0.045 0.000 0.889 49 E CA -0.745 55.688 56.400 0.055 0.000 0.756 49 E CB 2.047 31.790 29.700 0.071 0.000 1.131 49 E HN 0.328 nan 8.360 nan 0.000 0.411 50 V N 4.004 123.943 119.914 0.042 0.000 2.599 50 V HA 0.082 4.202 4.120 0.000 0.000 0.300 50 V C 0.913 177.011 176.094 0.006 0.000 1.034 50 V CA 1.148 63.476 62.300 0.048 0.000 1.115 50 V CB 0.858 32.718 31.823 0.061 0.000 0.934 50 V HN 0.900 nan 8.190 nan 0.000 0.485 51 A N 4.269 127.100 122.820 0.019 0.000 2.026 51 A HA 0.342 4.663 4.320 0.000 0.000 0.201 51 A C 0.623 178.196 177.584 -0.019 0.000 1.318 51 A CA 0.145 52.176 52.037 -0.010 0.000 0.857 51 A CB 0.411 19.414 19.000 0.005 0.000 0.939 51 A HN 0.792 nan 8.150 nan 0.000 0.476 52 Q N -1.079 118.737 119.800 0.026 0.000 2.462 52 Q HA 0.419 4.759 4.340 0.000 0.000 0.285 52 Q C -1.682 174.416 176.000 0.162 0.000 1.035 52 Q CA -0.635 55.186 55.803 0.030 0.000 0.799 52 Q CB 1.573 30.333 28.738 0.037 0.000 1.452 52 Q HN 0.574 nan 8.270 nan 0.000 0.404 53 H N 1.239 120.313 119.070 0.007 0.000 2.597 53 H HA 0.254 4.810 4.556 0.000 0.000 0.303 53 H C 0.464 175.806 175.328 0.023 0.000 1.057 53 H CA -0.342 55.716 56.048 0.017 0.000 1.261 53 H CB 1.097 30.861 29.762 0.003 0.000 1.397 53 H HN 0.432 nan 8.280 nan 0.000 0.461 54 L N 2.832 124.140 121.223 0.141 0.000 2.341 54 L HA 0.189 4.529 4.340 0.000 0.000 0.214 54 L C 1.102 178.013 176.870 0.068 0.000 1.115 54 L CA 0.577 55.469 54.840 0.087 0.000 0.820 54 L CB 0.162 42.264 42.059 0.072 0.000 0.944 54 L HN 0.881 nan 8.230 nan 0.000 0.452 55 G N -0.263 108.577 108.800 0.066 0.000 2.515 55 G HA2 -0.097 3.863 3.960 0.000 0.000 0.686 55 G HA3 -0.097 3.863 3.960 0.000 0.000 0.686 55 G C -0.148 174.782 174.900 0.051 0.000 1.274 55 G CA -0.559 44.570 45.100 0.048 0.000 0.874 55 G HN 0.220 nan 8.290 nan 0.000 0.631 56 E N -0.104 120.124 120.200 0.048 0.000 2.440 56 E HA -0.261 4.089 4.350 0.000 0.000 0.246 56 E C 0.704 177.388 176.600 0.139 0.000 1.165 56 E CA 0.716 57.159 56.400 0.071 0.000 0.726 56 E CB -0.960 28.769 29.700 0.049 0.000 1.271 56 E HN 1.198 nan 8.360 nan 0.000 0.397 57 N N -1.398 117.353 118.700 0.085 0.000 2.747 57 N HA -0.138 4.602 4.740 0.000 0.000 0.249 57 N C -1.059 174.544 175.510 0.155 0.000 1.107 57 N CA 1.914 55.002 53.050 0.064 0.000 0.707 57 N CB -1.194 37.315 38.487 0.036 0.000 1.054 57 N HN 0.307 nan 8.380 nan 0.000 0.555 58 T N -0.382 114.258 114.554 0.144 0.000 2.841 58 T HA 0.669 5.019 4.350 0.000 0.000 0.283 58 T C 0.350 175.117 174.700 0.113 0.000 1.000 58 T CA -0.636 61.567 62.100 0.172 0.000 0.977 58 T CB 2.395 71.354 68.868 0.152 0.000 0.979 58 T HN 0.145 nan 8.240 nan 0.000 0.446 59 V N 1.481 121.491 119.914 0.161 0.000 2.769 59 V HA 0.773 4.893 4.120 0.000 0.000 0.312 59 V C -0.293 175.888 176.094 0.145 0.000 1.058 59 V CA -1.349 61.055 62.300 0.173 0.000 0.952 59 V CB 1.709 33.663 31.823 0.218 0.000 1.019 59 V HN 0.849 nan 8.190 nan 0.000 0.445 60 R N 2.226 122.801 120.500 0.126 0.000 2.338 60 R HA 0.712 5.052 4.340 0.000 0.000 0.317 60 R C -0.165 176.181 176.300 0.077 0.000 0.968 60 R CA 0.207 56.358 56.100 0.085 0.000 0.849 60 R CB 1.509 31.846 30.300 0.063 0.000 1.128 60 R HN 1.152 nan 8.270 nan 0.000 0.448 61 T N 1.264 115.858 114.554 0.067 0.000 2.930 61 T HA 0.553 4.903 4.350 0.000 0.000 0.290 61 T C 0.050 174.774 174.700 0.041 0.000 1.052 61 T CA -0.865 61.270 62.100 0.059 0.000 1.017 61 T CB 1.267 70.178 68.868 0.072 0.000 1.137 61 T HN 0.436 nan 8.240 nan 0.000 0.511 62 I N 1.635 122.228 120.570 0.038 0.000 2.389 62 I HA 0.553 4.723 4.170 0.000 0.000 0.288 62 I C 0.723 176.860 176.117 0.033 0.000 0.999 62 I CA -1.206 60.112 61.300 0.030 0.000 1.129 62 I CB 1.447 39.463 38.000 0.028 0.000 1.288 62 I HN 0.956 nan 8.210 nan 0.000 0.444 63 A N 7.060 129.896 122.820 0.027 0.000 2.425 63 A HA 0.381 4.701 4.320 0.000 0.000 0.242 63 A C 0.797 178.397 177.584 0.026 0.000 1.077 63 A CA -0.048 52.005 52.037 0.026 0.000 0.781 63 A CB 0.420 19.431 19.000 0.019 0.000 1.020 63 A HN 0.777 nan 8.150 nan 0.000 0.494 64 M N 0.387 120.003 119.600 0.027 0.000 2.371 64 M HA 0.202 4.683 4.480 0.000 0.000 0.246 64 M C -0.170 176.143 176.300 0.022 0.000 1.103 64 M CA 0.445 55.761 55.300 0.027 0.000 1.010 64 M CB -0.698 31.920 32.600 0.031 0.000 1.457 64 M HN 0.821 nan 8.290 nan 0.000 0.486 65 D N -0.884 119.527 120.400 0.019 0.000 2.664 65 D HA 0.519 5.159 4.640 0.000 0.000 0.292 65 D C -0.386 175.921 176.300 0.012 0.000 1.214 65 D CA -0.188 53.821 54.000 0.015 0.000 0.932 65 D CB 1.390 42.198 40.800 0.014 0.000 1.420 65 D HN 0.105 nan 8.370 nan 0.000 0.471 66 G N -0.998 107.808 108.800 0.009 0.000 2.559 66 G HA2 0.327 4.287 3.960 0.000 0.000 0.235 66 G HA3 0.327 4.287 3.960 0.000 0.000 0.235 66 G C 0.723 175.627 174.900 0.007 0.000 1.266 66 G CA 0.518 45.622 45.100 0.007 0.000 0.847 66 G HN 0.428 nan 8.290 nan 0.000 0.583 67 T N -1.183 113.374 114.554 0.005 0.000 3.176 67 T HA 0.239 4.589 4.350 0.000 0.000 0.263 67 T C 0.330 175.032 174.700 0.002 0.000 1.021 67 T CA -0.347 61.756 62.100 0.004 0.000 0.905 67 T CB 0.071 68.942 68.868 0.004 0.000 1.057 67 T HN 0.483 nan 8.240 nan 0.000 0.558 68 E N 1.431 121.633 120.200 0.002 0.000 2.481 68 E HA 0.401 4.752 4.350 0.000 0.000 0.263 68 E C 1.509 178.109 176.600 0.000 0.000 0.992 68 E CA 1.335 57.736 56.400 0.001 0.000 0.938 68 E CB -0.314 29.386 29.700 0.001 0.000 0.933 68 E HN 0.404 nan 8.360 nan 0.000 0.453 69 G N 1.971 110.771 108.800 -0.001 0.000 2.268 69 G HA2 -0.299 3.661 3.960 0.000 0.000 0.240 69 G HA3 -0.299 3.661 3.960 0.000 0.000 0.240 69 G C 0.188 175.086 174.900 -0.003 0.000 1.010 69 G CA -0.107 44.992 45.100 -0.002 0.000 0.618 69 G HN 0.405 nan 8.290 nan 0.000 0.516 70 L N 1.272 122.494 121.223 -0.003 0.000 2.490 70 L HA 0.420 4.760 4.340 0.000 0.000 0.274 70 L C 0.524 177.389 176.870 -0.007 0.000 1.201 70 L CA -0.029 54.808 54.840 -0.005 0.000 0.869 70 L CB 1.057 43.114 42.059 -0.004 0.000 1.123 70 L HN 0.036 nan 8.230 nan 0.000 0.484 71 V N 4.207 124.115 119.914 -0.010 0.000 2.555 71 V HA 0.355 4.475 4.120 0.000 0.000 0.302 71 V C 0.240 176.325 176.094 -0.016 0.000 1.038 71 V CA -0.919 61.374 62.300 -0.012 0.000 0.887 71 V CB 1.938 33.754 31.823 -0.011 0.000 0.991 71 V HN 0.685 nan 8.190 nan 0.000 0.434 72 R N 2.338 122.828 120.500 -0.017 0.000 2.583 72 R HA 0.354 4.694 4.340 0.000 0.000 0.274 72 R C 1.292 177.577 176.300 -0.024 0.000 0.998 72 R CA 1.240 57.327 56.100 -0.022 0.000 1.081 72 R CB 0.052 30.339 30.300 -0.022 0.000 0.940 72 R HN 1.215 nan 8.270 nan 0.000 0.413 73 G N 1.708 110.490 108.800 -0.030 0.000 2.175 73 G HA2 -0.302 3.658 3.960 0.000 0.000 0.244 73 G HA3 -0.302 3.658 3.960 0.000 0.000 0.244 73 G C 0.050 174.928 174.900 -0.036 0.000 0.982 73 G CA -0.009 45.071 45.100 -0.033 0.000 0.641 73 G HN 0.619 nan 8.290 nan 0.000 0.527 74 E N 0.713 120.892 120.200 -0.036 0.000 2.392 74 E HA 0.377 4.727 4.350 0.000 0.000 0.264 74 E C 0.725 177.294 176.600 -0.051 0.000 1.024 74 E CA -0.395 55.984 56.400 -0.035 0.000 0.903 74 E CB 0.358 30.042 29.700 -0.025 0.000 0.963 74 E HN 0.308 nan 8.360 nan 0.000 0.432 75 K N 2.712 123.086 120.400 -0.043 0.000 2.412 75 K HA 0.131 4.451 4.320 0.000 0.000 0.281 75 K C -1.259 175.311 176.600 -0.049 0.000 1.027 75 K CA -0.274 55.982 56.287 -0.052 0.000 0.989 75 K CB 0.524 33.005 32.500 -0.031 0.000 0.935 75 K HN 0.221 nan 8.250 nan 0.000 0.475 76 V N 5.697 125.566 119.914 -0.076 0.000 2.656 76 V HA 0.375 4.495 4.120 0.000 0.000 0.307 76 V C -0.801 175.307 176.094 0.024 0.000 1.051 76 V CA -1.087 61.190 62.300 -0.038 0.000 0.893 76 V CB 1.511 33.288 31.823 -0.076 0.000 0.999 76 V HN 0.674 nan 8.190 nan 0.000 0.426 77 L N 3.195 124.459 121.223 0.068 0.000 2.313 77 L HA 0.651 4.991 4.340 0.000 0.000 0.283 77 L C -0.344 176.602 176.870 0.126 0.000 1.013 77 L CA -0.016 54.880 54.840 0.094 0.000 0.816 77 L CB 1.576 43.667 42.059 0.053 0.000 1.236 77 L HN 0.747 nan 8.230 nan 0.000 0.419 78 D N 1.600 122.089 120.400 0.148 0.000 2.351 78 D HA 0.147 4.787 4.640 0.000 0.000 0.251 78 D C 0.957 177.284 176.300 0.046 0.000 1.137 78 D CA 0.363 54.416 54.000 0.089 0.000 0.879 78 D CB 1.573 42.391 40.800 0.030 0.000 1.181 78 D HN 0.695 nan 8.370 nan 0.000 0.448 79 T N 0.495 115.068 114.554 0.033 0.000 3.065 79 T HA 0.297 4.647 4.350 0.000 0.000 0.252 79 T C 1.511 176.216 174.700 0.008 0.000 1.099 79 T CA 0.568 62.681 62.100 0.021 0.000 1.063 79 T CB 0.096 68.977 68.868 0.021 0.000 0.948 79 T HN 0.642 nan 8.240 nan 0.000 0.506 80 G N 0.302 109.101 108.800 -0.001 0.000 2.268 80 G HA2 0.053 4.013 3.960 0.000 0.000 0.240 80 G HA3 0.053 4.013 3.960 0.000 0.000 0.240 80 G C 0.398 175.291 174.900 -0.010 0.000 1.010 80 G CA -0.250 44.843 45.100 -0.012 0.000 0.618 80 G HN 1.273 nan 8.290 nan 0.000 0.516 81 G N -0.647 108.153 108.800 -0.001 0.000 2.708 81 G HA2 0.743 4.703 3.960 0.000 0.000 0.289 81 G HA3 0.743 4.703 3.960 0.000 0.000 0.289 81 G C -3.114 171.797 174.900 0.018 0.000 1.416 81 G CA -0.571 44.531 45.100 0.004 0.000 0.829 81 G HN 0.186 nan 8.290 nan 0.000 0.480 82 P HA 0.129 nan 4.420 nan 0.000 0.270 82 P C 0.323 177.662 177.300 0.065 0.000 1.221 82 P CA -0.189 62.954 63.100 0.072 0.000 0.788 82 P CB 0.532 32.305 31.700 0.120 0.000 0.904 83 I N 0.559 121.181 120.570 0.085 0.000 2.821 83 I HA -0.092 4.078 4.170 0.000 0.000 0.294 83 I C 0.709 176.836 176.117 0.016 0.000 1.210 83 I CA 1.211 62.538 61.300 0.045 0.000 1.430 83 I CB -0.165 37.863 38.000 0.046 0.000 1.356 83 I HN 0.245 nan 8.210 nan 0.000 0.563 84 S N 5.521 121.219 115.700 -0.003 0.000 2.537 84 S HA 0.706 5.176 4.470 0.000 0.000 0.301 84 S C -0.461 174.115 174.600 -0.040 0.000 1.092 84 S CA -0.756 57.430 58.200 -0.023 0.000 1.048 84 S CB 2.057 65.244 63.200 -0.022 0.000 1.053 84 S HN 0.466 nan 8.310 nan 0.000 0.501 85 V N 0.100 119.977 119.914 -0.061 0.000 2.823 85 V HA 0.682 4.802 4.120 0.000 0.000 0.312 85 V C -3.121 172.907 176.094 -0.110 0.000 1.072 85 V CA -3.151 59.104 62.300 -0.076 0.000 0.937 85 V CB 1.162 32.937 31.823 -0.080 0.000 1.013 85 V HN 0.529 nan 8.190 nan 0.000 0.430 86 P HA 0.356 nan 4.420 nan 0.000 0.268 86 P C -0.445 176.717 177.300 -0.230 0.000 1.205 86 P CA 0.165 63.171 63.100 -0.156 0.000 0.771 86 P CB 0.924 32.556 31.700 -0.113 0.000 0.858 87 V N -0.521 119.169 119.914 -0.373 0.000 3.160 87 V HA 0.991 5.112 4.120 0.000 0.000 0.310 87 V C 0.136 175.767 176.094 -0.771 0.000 1.181 87 V CA -0.156 61.779 62.300 -0.608 0.000 1.047 87 V CB 1.239 32.573 31.823 -0.815 0.000 1.068 87 V HN 0.954 nan 8.190 nan 0.000 0.441 88 G N 1.789 110.028 108.800 -0.935 0.000 2.627 88 G HA2 -0.156 3.804 3.960 0.000 0.000 0.214 88 G HA3 -0.156 3.804 3.960 0.000 0.000 0.214 88 G C 0.118 174.845 174.900 -0.288 0.000 1.331 88 G CA 0.263 44.992 45.100 -0.618 0.000 0.891 88 G HN 1.041 nan 8.290 nan 0.000 0.539 89 R N 0.283 120.734 120.500 -0.081 0.000 2.237 89 R HA 0.012 4.352 4.340 0.000 0.000 0.219 89 R C 2.038 178.347 176.300 0.014 0.000 1.080 89 R CA 1.298 57.410 56.100 0.021 0.000 0.995 89 R CB -0.099 30.223 30.300 0.037 0.000 0.875 89 R HN 0.534 nan 8.270 nan 0.000 0.462 90 E N -0.032 120.149 120.200 -0.032 0.000 2.338 90 E HA -0.112 4.238 4.350 0.000 0.000 0.197 90 E C 1.747 178.344 176.600 -0.005 0.000 1.007 90 E CA 1.514 57.902 56.400 -0.020 0.000 0.849 90 E CB -0.028 29.643 29.700 -0.047 0.000 0.774 90 E HN 0.447 nan 8.360 nan 0.000 0.506 91 T N -1.659 112.895 114.554 -0.001 0.000 3.067 91 T HA 0.076 4.426 4.350 0.000 0.000 0.261 91 T C 1.187 175.931 174.700 0.074 0.000 1.110 91 T CA -0.120 61.996 62.100 0.025 0.000 1.113 91 T CB -0.159 68.717 68.868 0.013 0.000 0.917 91 T HN -0.055 nan 8.240 nan 0.000 0.499 92 L N 1.984 123.261 121.223 0.090 0.000 2.499 92 L HA 0.434 4.774 4.340 0.000 0.000 0.273 92 L C 1.628 178.558 176.870 0.098 0.000 1.195 92 L CA 0.822 55.721 54.840 0.098 0.000 0.882 92 L CB 0.034 42.146 42.059 0.088 0.000 1.133 92 L HN 0.531 nan 8.230 nan 0.000 0.483 93 G N 1.858 110.728 108.800 0.117 0.000 2.148 93 G HA2 -0.222 3.739 3.960 0.000 0.000 0.254 93 G HA3 -0.222 3.739 3.960 0.000 0.000 0.254 93 G C 0.219 175.202 174.900 0.138 0.000 0.981 93 G CA -0.305 44.878 45.100 0.139 0.000 0.670 93 G HN 0.467 nan 8.290 nan 0.000 0.528 94 R N -0.493 120.063 120.500 0.094 0.000 2.732 94 R HA 0.719 5.059 4.340 0.000 0.000 0.278 94 R C 0.191 176.507 176.300 0.025 0.000 0.976 94 R CA -1.084 55.047 56.100 0.052 0.000 0.963 94 R CB 1.113 31.435 30.300 0.037 0.000 1.150 94 R HN 0.253 nan 8.270 nan 0.000 0.478 95 I N 3.112 123.664 120.570 -0.030 0.000 2.336 95 I HA 0.414 4.584 4.170 0.000 0.000 0.292 95 I C 0.053 176.187 176.117 0.029 0.000 0.991 95 I CA -0.437 60.866 61.300 0.005 0.000 1.227 95 I CB 1.015 38.958 38.000 -0.096 0.000 1.366 95 I HN 0.285 nan 8.210 nan 0.000 0.466 96 I N 5.672 126.277 120.570 0.059 0.000 2.569 96 I HA 0.333 4.503 4.170 0.000 0.000 0.296 96 I C -0.198 175.951 176.117 0.053 0.000 1.028 96 I CA -0.657 60.662 61.300 0.033 0.000 1.082 96 I CB 1.958 39.963 38.000 0.007 0.000 1.264 96 I HN 0.640 nan 8.210 nan 0.000 0.429 97 N N 3.866 122.588 118.700 0.037 0.000 2.538 97 N HA 0.183 4.923 4.740 0.000 0.000 0.292 97 N C 0.640 176.162 175.510 0.020 0.000 1.262 97 N CA -0.730 52.347 53.050 0.045 0.000 0.976 97 N CB 0.411 38.924 38.487 0.044 0.000 1.161 97 N HN 0.370 nan 8.380 nan 0.000 0.598 98 V N -0.311 119.617 119.914 0.022 0.000 2.407 98 V HA -0.109 4.011 4.120 0.000 0.000 0.248 98 V C 1.475 177.566 176.094 -0.004 0.000 1.055 98 V CA 1.847 64.151 62.300 0.006 0.000 1.049 98 V CB -0.919 30.915 31.823 0.017 0.000 0.662 98 V HN 0.659 nan 8.190 nan 0.000 0.455 99 I N -1.599 118.973 120.570 0.003 0.000 3.806 99 I HA 0.536 4.706 4.170 0.000 0.000 0.321 99 I C 1.314 177.426 176.117 -0.009 0.000 1.315 99 I CA 0.507 61.807 61.300 -0.000 0.000 1.148 99 I CB -0.528 37.477 38.000 0.009 0.000 1.028 99 I HN 0.331 nan 8.210 nan 0.000 0.415 100 G N 1.144 109.936 108.800 -0.014 0.000 2.147 100 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 100 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 100 G C -0.183 174.706 174.900 -0.017 0.000 1.005 100 G CA 0.002 45.089 45.100 -0.023 0.000 0.713 100 G HN 0.653 nan 8.290 nan 0.000 0.515 101 E N 1.056 121.253 120.200 -0.006 0.000 2.242 101 E HA 0.438 4.789 4.350 0.000 0.000 0.275 101 E C -2.277 174.322 176.600 -0.000 0.000 1.002 101 E CA -2.136 54.262 56.400 -0.004 0.000 0.841 101 E CB 1.716 31.416 29.700 0.000 0.000 1.109 101 E HN 0.147 nan 8.360 nan 0.000 0.394 102 P HA 0.041 nan 4.420 nan 0.000 0.271 102 P C -0.110 177.188 177.300 -0.004 0.000 1.216 102 P CA 0.361 63.460 63.100 -0.003 0.000 0.776 102 P CB 0.278 31.976 31.700 -0.003 0.000 0.881 103 I N -0.851 119.712 120.570 -0.011 0.000 3.241 103 I HA 0.305 4.475 4.170 0.000 0.000 0.333 103 I C -0.075 176.011 176.117 -0.051 0.000 1.534 103 I CA -0.336 60.952 61.300 -0.020 0.000 0.979 103 I CB 0.165 38.159 38.000 -0.010 0.000 1.497 103 I HN 0.037 nan 8.210 nan 0.000 0.530 104 D N -0.081 120.292 120.400 -0.046 0.000 2.513 104 D HA 0.052 4.692 4.640 0.000 0.000 0.222 104 D C 0.396 176.700 176.300 0.007 0.000 1.210 104 D CA -0.281 53.688 54.000 -0.051 0.000 0.825 104 D CB -0.046 40.698 40.800 -0.093 0.000 1.037 104 D HN 0.401 nan 8.370 nan 0.000 0.506 105 E N 0.073 120.276 120.200 0.004 0.000 2.539 105 E HA -0.263 4.087 4.350 0.000 0.000 0.253 105 E C 0.421 177.035 176.600 0.023 0.000 1.145 105 E CA 0.293 56.701 56.400 0.014 0.000 0.738 105 E CB -1.027 28.684 29.700 0.017 0.000 1.308 105 E HN 0.392 nan 8.360 nan 0.000 0.409 106 R N -0.270 120.244 120.500 0.024 0.000 2.468 106 R HA 0.251 4.591 4.340 0.000 0.000 0.280 106 R C 0.848 177.161 176.300 0.021 0.000 0.963 106 R CA 0.413 56.532 56.100 0.031 0.000 1.083 106 R CB 1.093 31.422 30.300 0.047 0.000 1.200 106 R HN 0.331 nan 8.270 nan 0.000 0.541 107 G N 1.696 110.504 108.800 0.014 0.000 2.660 107 G HA2 -0.199 3.761 3.960 0.000 0.000 0.247 107 G HA3 -0.199 3.761 3.960 0.000 0.000 0.247 107 G C -2.710 172.193 174.900 0.005 0.000 1.328 107 G CA -1.247 43.859 45.100 0.009 0.000 0.884 107 G HN 0.019 nan 8.290 nan 0.000 0.531 108 P HA 0.495 nan 4.420 nan 0.000 0.275 108 P C 0.026 177.323 177.300 -0.006 0.000 1.227 108 P CA -0.337 62.761 63.100 -0.004 0.000 0.781 108 P CB 0.470 32.166 31.700 -0.006 0.000 0.906 109 I N 2.899 123.462 120.570 -0.013 0.000 2.294 109 I HA 0.101 4.271 4.170 0.000 0.000 0.295 109 I C 0.901 177.000 176.117 -0.030 0.000 1.098 109 I CA 0.072 61.360 61.300 -0.019 0.000 1.277 109 I CB -0.134 37.851 38.000 -0.026 0.000 1.434 109 I HN 0.090 nan 8.210 nan 0.000 0.498 110 K N 5.407 125.792 120.400 -0.024 0.000 2.751 110 K HA 0.128 4.449 4.320 0.000 0.000 0.252 110 K C 0.364 176.939 176.600 -0.042 0.000 1.277 110 K CA -0.255 56.016 56.287 -0.028 0.000 1.226 110 K CB -0.044 32.446 32.500 -0.016 0.000 1.658 110 K HN 0.685 nan 8.250 nan 0.000 0.303 111 S N -0.360 115.301 115.700 -0.065 0.000 2.617 111 S HA 0.185 4.655 4.470 0.000 0.000 0.269 111 S C 1.037 175.582 174.600 -0.092 0.000 1.292 111 S CA -0.705 57.437 58.200 -0.098 0.000 1.010 111 S CB 1.776 64.886 63.200 -0.150 0.000 0.944 111 S HN 0.309 nan 8.310 nan 0.000 0.536 112 K N 0.257 120.596 120.400 -0.101 0.000 2.057 112 K HA 0.107 4.427 4.320 0.000 0.000 0.206 112 K C 0.083 176.628 176.600 -0.092 0.000 1.050 112 K CA 1.027 57.267 56.287 -0.077 0.000 0.935 112 K CB -0.372 32.094 32.500 -0.056 0.000 0.715 112 K HN 0.554 nan 8.250 nan 0.000 0.439 113 L N 0.277 121.409 121.223 -0.152 0.000 2.341 113 L HA 0.427 4.767 4.340 0.000 0.000 0.267 113 L C -0.386 176.383 176.870 -0.169 0.000 1.009 113 L CA -0.990 53.762 54.840 -0.146 0.000 0.819 113 L CB 2.034 44.002 42.059 -0.152 0.000 1.323 113 L HN -0.110 nan 8.230 nan 0.000 0.425 114 R N 1.457 121.888 120.500 -0.115 0.000 2.494 114 R HA 0.520 4.860 4.340 0.000 0.000 0.305 114 R C -1.075 175.174 176.300 -0.085 0.000 0.959 114 R CA -0.824 55.211 56.100 -0.107 0.000 0.864 114 R CB 2.171 32.429 30.300 -0.071 0.000 1.159 114 R HN 0.473 nan 8.270 nan 0.000 0.446 115 K N 3.508 123.853 120.400 -0.092 0.000 2.207 115 K HA 0.410 4.730 4.320 0.000 0.000 0.255 115 K C -2.400 174.176 176.600 -0.040 0.000 0.941 115 K CA -2.092 54.164 56.287 -0.053 0.000 0.825 115 K CB 2.059 34.534 32.500 -0.042 0.000 1.119 115 K HN 0.313 nan 8.250 nan 0.000 0.430 116 P HA -0.016 nan 4.420 nan 0.000 0.266 116 P C 0.654 177.937 177.300 -0.029 0.000 1.195 116 P CA 0.180 63.280 63.100 0.000 0.000 0.768 116 P CB 0.343 32.062 31.700 0.031 0.000 0.838 117 I N -0.718 119.813 120.570 -0.066 0.000 2.928 117 I HA 0.044 4.214 4.170 0.000 0.000 0.266 117 I C 0.588 176.530 176.117 -0.291 0.000 1.234 117 I CA 0.560 61.749 61.300 -0.185 0.000 1.483 117 I CB -0.592 37.264 38.000 -0.239 0.000 1.097 117 I HN 0.228 nan 8.210 nan 0.000 0.455 118 H N 2.519 121.577 119.070 -0.019 0.000 2.467 118 H HA 0.799 5.355 4.556 0.000 0.000 0.326 118 H C -0.524 174.793 175.328 -0.018 0.000 1.094 118 H CA -0.205 55.832 56.048 -0.018 0.000 1.253 118 H CB 1.714 31.470 29.762 -0.011 0.000 1.439 118 H HN 0.401 nan 8.280 nan 0.000 0.479 119 A N 3.197 126.064 122.820 0.077 0.000 2.604 119 A HA 0.245 4.565 4.320 0.000 0.000 0.295 119 A C -1.058 176.543 177.584 0.029 0.000 1.067 119 A CA -0.993 51.068 52.037 0.040 0.000 0.683 119 A CB 1.347 20.353 19.000 0.010 0.000 1.281 119 A HN 0.569 nan 8.150 nan 0.000 0.407 120 D N 3.064 123.477 120.400 0.022 0.000 2.424 120 D HA 0.358 4.998 4.640 0.000 0.000 0.244 120 D C -1.915 174.391 176.300 0.009 0.000 1.134 120 D CA -0.133 53.877 54.000 0.017 0.000 0.881 120 D CB 0.568 41.377 40.800 0.015 0.000 1.191 120 D HN 0.360 nan 8.370 nan 0.000 0.445 121 P HA 0.132 nan 4.420 nan 0.000 0.269 121 P C -2.463 174.843 177.300 0.011 0.000 1.215 121 P CA -1.008 62.094 63.100 0.003 0.000 0.780 121 P CB -0.431 31.275 31.700 0.009 0.000 0.898 122 P HA -0.038 nan 4.420 nan 0.000 0.265 122 P C 0.528 177.845 177.300 0.028 0.000 1.187 122 P CA 0.287 63.392 63.100 0.007 0.000 0.766 122 P CB 0.136 31.833 31.700 -0.006 0.000 0.820 123 S N 2.316 118.037 115.700 0.034 0.000 2.606 123 S HA 0.033 4.503 4.470 0.000 0.000 0.257 123 S C 1.022 175.681 174.600 0.097 0.000 1.327 123 S CA -0.381 57.861 58.200 0.072 0.000 0.984 123 S CB -0.061 63.178 63.200 0.066 0.000 0.941 123 S HN 0.427 nan 8.310 nan 0.000 0.576 124 F N 1.341 121.292 119.950 0.001 0.000 2.186 124 F HA 0.096 4.623 4.527 0.000 0.000 0.299 124 F C 2.348 178.148 175.800 0.000 0.000 1.090 124 F CA 1.368 59.369 58.000 0.002 0.000 1.307 124 F CB -0.976 38.026 39.000 0.002 0.000 1.019 124 F HN 0.703 nan 8.300 nan 0.000 0.489 125 A N -0.074 122.753 122.820 0.011 0.000 2.015 125 A HA -0.142 4.178 4.320 0.000 0.000 0.219 125 A C 1.926 179.431 177.584 -0.132 0.000 1.163 125 A CA 1.553 53.537 52.037 -0.089 0.000 0.646 125 A CB -0.742 18.272 19.000 0.024 0.000 0.806 125 A HN 0.563 nan 8.150 nan 0.000 0.448 126 E N 0.150 120.296 120.200 -0.090 0.000 2.476 126 E HA 0.009 4.359 4.350 0.000 0.000 0.191 126 E C -0.025 176.512 176.600 -0.104 0.000 1.064 126 E CA -0.211 56.143 56.400 -0.077 0.000 0.866 126 E CB 0.138 29.816 29.700 -0.038 0.000 0.952 126 E HN 0.538 nan 8.360 nan 0.000 0.492 127 Q N 0.349 120.042 119.800 -0.178 0.000 2.354 127 Q HA 0.227 4.567 4.340 0.000 0.000 0.244 127 Q C -0.330 175.583 176.000 -0.146 0.000 0.969 127 Q CA 0.141 55.845 55.803 -0.166 0.000 0.885 127 Q CB 1.798 30.395 28.738 -0.236 0.000 1.241 127 Q HN -0.060 nan 8.270 nan 0.000 0.461 128 S N 0.830 116.472 115.700 -0.097 0.000 2.737 128 S HA 0.380 4.850 4.470 0.000 0.000 0.269 128 S C -0.990 173.579 174.600 -0.053 0.000 1.150 128 S CA -0.578 57.577 58.200 -0.074 0.000 1.077 128 S CB 0.439 63.606 63.200 -0.055 0.000 1.075 128 S HN 0.573 nan 8.310 nan 0.000 0.476 129 T N 1.475 115.999 114.554 -0.051 0.000 2.895 129 T HA 0.854 5.204 4.350 0.000 0.000 0.283 129 T C -0.325 174.364 174.700 -0.019 0.000 1.014 129 T CA -0.749 61.333 62.100 -0.030 0.000 1.037 129 T CB 1.446 70.298 68.868 -0.027 0.000 1.006 129 T HN 0.927 nan 8.240 nan 0.000 0.468 130 S N 0.033 115.728 115.700 -0.008 0.000 2.543 130 S HA 0.638 5.108 4.470 0.000 0.000 0.273 130 S C -0.635 173.970 174.600 0.008 0.000 1.152 130 S CA -1.039 57.160 58.200 -0.002 0.000 0.910 130 S CB 1.149 64.348 63.200 -0.001 0.000 1.105 130 S HN 1.309 nan 8.310 nan 0.000 0.465 131 A N 1.913 124.739 122.820 0.010 0.000 3.016 131 A HA 0.606 4.926 4.320 0.000 0.000 0.303 131 A C 0.098 177.697 177.584 0.025 0.000 1.507 131 A CA -0.337 51.711 52.037 0.018 0.000 1.196 131 A CB -0.446 18.561 19.000 0.012 0.000 1.169 131 A HN 0.790 nan 8.150 nan 0.000 0.544 132 E N 2.433 122.652 120.200 0.032 0.000 2.191 132 E HA 0.473 4.823 4.350 0.000 0.000 0.263 132 E C -0.878 175.756 176.600 0.057 0.000 0.881 132 E CA -0.658 55.766 56.400 0.039 0.000 0.757 132 E CB 0.951 30.670 29.700 0.031 0.000 1.147 132 E HN 0.603 nan 8.360 nan 0.000 0.414 133 I N 4.169 124.777 120.570 0.063 0.000 2.710 133 I HA -0.046 4.124 4.170 0.000 0.000 0.286 133 I C 0.055 176.220 176.117 0.081 0.000 1.181 133 I CA 0.121 61.470 61.300 0.081 0.000 1.430 133 I CB 0.341 38.390 38.000 0.083 0.000 1.367 133 I HN 0.450 nan 8.210 nan 0.000 0.577 134 L N 7.234 128.520 121.223 0.105 0.000 2.313 134 L HA 0.313 4.653 4.340 0.000 0.000 0.273 134 L C 0.188 177.105 176.870 0.078 0.000 1.028 134 L CA -0.129 54.773 54.840 0.104 0.000 0.871 134 L CB 0.692 42.836 42.059 0.142 0.000 1.242 134 L HN 0.527 nan 8.230 nan 0.000 0.434 135 E N 1.732 121.959 120.200 0.045 0.000 2.480 135 E HA -0.048 4.302 4.350 0.000 0.000 0.258 135 E C 0.454 177.049 176.600 -0.009 0.000 0.984 135 E CA 0.785 57.190 56.400 0.008 0.000 0.930 135 E CB 0.810 30.513 29.700 0.006 0.000 0.936 135 E HN 0.795 nan 8.360 nan 0.000 0.466 136 T N 0.909 115.427 114.554 -0.060 0.000 3.000 136 T HA 0.265 4.615 4.350 0.000 0.000 0.248 136 T C 1.399 176.035 174.700 -0.107 0.000 1.034 136 T CA 0.480 62.530 62.100 -0.084 0.000 1.060 136 T CB 0.398 69.164 68.868 -0.170 0.000 0.983 136 T HN 0.708 nan 8.240 nan 0.000 0.482 137 G N 1.605 110.348 108.800 -0.095 0.000 2.199 137 G HA2 -0.190 3.770 3.960 0.000 0.000 0.254 137 G HA3 -0.190 3.770 3.960 0.000 0.000 0.254 137 G C 0.016 174.860 174.900 -0.092 0.000 0.982 137 G CA 0.052 45.098 45.100 -0.089 0.000 0.632 137 G HN 0.655 nan 8.290 nan 0.000 0.529 138 I N 1.267 121.771 120.570 -0.111 0.000 2.325 138 I HA 0.245 4.415 4.170 0.000 0.000 0.291 138 I C 1.660 177.761 176.117 -0.026 0.000 1.019 138 I CA -0.601 60.671 61.300 -0.046 0.000 1.302 138 I CB 1.285 39.239 38.000 -0.077 0.000 1.401 138 I HN 0.013 nan 8.210 nan 0.000 0.485 139 K N 4.074 124.474 120.400 -0.001 0.000 2.001 139 K HA -0.192 4.128 4.320 0.000 0.000 0.214 139 K C 1.902 178.451 176.600 -0.084 0.000 1.050 139 K CA 1.922 58.181 56.287 -0.047 0.000 0.934 139 K CB -0.244 32.232 32.500 -0.040 0.000 0.718 139 K HN 0.721 nan 8.250 nan 0.000 0.443 140 V N -0.915 118.981 119.914 -0.030 0.000 2.332 140 V HA -0.226 3.894 4.120 0.000 0.000 0.248 140 V C 2.178 178.258 176.094 -0.022 0.000 1.055 140 V CA 1.678 63.955 62.300 -0.037 0.000 1.038 140 V CB -0.987 30.868 31.823 0.053 0.000 0.651 140 V HN 0.036 nan 8.190 nan 0.000 0.450 141 V N 1.181 121.097 119.914 0.004 0.000 2.237 141 V HA -0.228 3.892 4.120 0.000 0.000 0.245 141 V C 2.587 178.625 176.094 -0.092 0.000 1.046 141 V CA 2.600 64.853 62.300 -0.079 0.000 1.007 141 V CB -1.003 30.657 31.823 -0.273 0.000 0.638 141 V HN 0.502 nan 8.190 nan 0.000 0.445 142 D N -0.321 120.020 120.400 -0.098 0.000 2.178 142 D HA -0.132 4.508 4.640 0.000 0.000 0.201 142 D C 1.816 178.131 176.300 0.025 0.000 0.980 142 D CA 1.116 55.087 54.000 -0.049 0.000 0.842 142 D CB -0.148 40.606 40.800 -0.076 0.000 0.948 142 D HN 0.366 nan 8.370 nan 0.000 0.472 143 L N -0.421 120.782 121.223 -0.034 0.000 2.130 143 L HA 0.092 4.432 4.340 0.000 0.000 0.200 143 L C 1.894 178.829 176.870 0.108 0.000 1.075 143 L CA 1.253 56.098 54.840 0.009 0.000 0.768 143 L CB -0.193 41.699 42.059 -0.278 0.000 0.933 143 L HN -0.049 nan 8.230 nan 0.000 0.451 144 L N -0.680 120.528 121.223 -0.025 0.000 2.298 144 L HA 0.324 4.664 4.340 0.000 0.000 0.209 144 L C 0.575 177.445 176.870 -0.000 0.000 1.084 144 L CA 0.511 55.328 54.840 -0.039 0.000 0.816 144 L CB -0.102 41.911 42.059 -0.077 0.000 0.967 144 L HN 0.295 nan 8.230 nan 0.000 0.460 145 A N 0.149 122.991 122.820 0.036 0.000 3.158 145 A HA 0.498 4.818 4.320 0.000 0.000 0.302 145 A C -2.699 174.961 177.584 0.128 0.000 1.162 145 A CA -0.821 51.265 52.037 0.082 0.000 0.824 145 A CB -0.033 19.031 19.000 0.107 0.000 1.322 145 A HN -0.156 nan 8.150 nan 0.000 0.510 146 P HA 0.264 nan 4.420 nan 0.000 0.271 146 P C -0.419 177.039 177.300 0.263 0.000 1.216 146 P CA 0.230 63.394 63.100 0.107 0.000 0.776 146 P CB 0.289 32.060 31.700 0.119 0.000 0.881 147 Y N 0.970 121.321 120.300 0.085 0.000 2.330 147 Y HA 0.426 4.976 4.550 0.000 0.000 0.341 147 Y C 1.096 177.028 175.900 0.054 0.000 1.278 147 Y CA -1.400 56.743 58.100 0.072 0.000 1.453 147 Y CB -0.333 38.176 38.460 0.081 0.000 1.342 147 Y HN 0.335 nan 8.280 nan 0.000 0.590 148 A N 2.315 125.254 122.820 0.198 0.000 2.342 148 A HA 0.594 4.914 4.320 0.000 0.000 0.323 148 A C -0.222 177.409 177.584 0.077 0.000 1.125 148 A CA -1.071 51.031 52.037 0.108 0.000 0.785 148 A CB 0.723 19.763 19.000 0.066 0.000 1.221 148 A HN 0.773 nan 8.150 nan 0.000 0.463 149 R N 0.982 121.523 120.500 0.068 0.000 2.449 149 R HA 0.346 4.686 4.340 0.000 0.000 0.296 149 R C 1.160 177.476 176.300 0.026 0.000 1.047 149 R CA 1.207 57.337 56.100 0.051 0.000 1.018 149 R CB 0.293 30.626 30.300 0.054 0.000 0.962 149 R HN 1.611 nan 8.270 nan 0.000 0.428 150 G N 2.042 110.848 108.800 0.009 0.000 2.179 150 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 150 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 150 G C 0.377 175.265 174.900 -0.020 0.000 1.010 150 G CA 0.181 45.276 45.100 -0.008 0.000 0.736 150 G HN 0.867 nan 8.290 nan 0.000 0.513 151 G N -1.060 107.725 108.800 -0.025 0.000 2.705 151 G HA2 0.679 4.639 3.960 0.000 0.000 0.299 151 G HA3 0.679 4.639 3.960 0.000 0.000 0.299 151 G C -0.342 174.515 174.900 -0.072 0.000 1.315 151 G CA -0.886 44.196 45.100 -0.031 0.000 1.045 151 G HN 0.375 nan 8.290 nan 0.000 0.517 152 K N -0.141 120.217 120.400 -0.071 0.000 2.274 152 K HA 0.523 4.843 4.320 0.000 0.000 0.262 152 K C -1.153 175.364 176.600 -0.138 0.000 0.961 152 K CA -0.340 55.885 56.287 -0.103 0.000 0.833 152 K CB 2.335 34.799 32.500 -0.061 0.000 1.102 152 K HN 0.250 nan 8.250 nan 0.000 0.436 153 I N 1.318 121.757 120.570 -0.219 0.000 2.433 153 I HA 0.358 4.528 4.170 0.000 0.000 0.292 153 I C 0.191 176.169 176.117 -0.232 0.000 1.001 153 I CA -0.622 60.487 61.300 -0.319 0.000 1.119 153 I CB 2.199 39.824 38.000 -0.624 0.000 1.289 153 I HN 0.656 nan 8.210 nan 0.000 0.438 154 G N 6.519 115.226 108.800 -0.155 0.000 2.461 154 G HA2 0.717 4.677 3.960 0.000 0.000 0.323 154 G HA3 0.717 4.677 3.960 0.000 0.000 0.323 154 G C -0.936 173.903 174.900 -0.102 0.000 1.229 154 G CA -0.553 44.440 45.100 -0.177 0.000 0.941 154 G HN 0.457 nan 8.290 nan 0.000 0.477 155 L N 2.296 123.403 121.223 -0.192 0.000 2.283 155 L HA 0.406 4.746 4.340 0.000 0.000 0.281 155 L C -0.832 175.951 176.870 -0.145 0.000 1.033 155 L CA -0.618 54.145 54.840 -0.127 0.000 0.848 155 L CB 0.699 42.667 42.059 -0.152 0.000 1.226 155 L HN 0.314 nan 8.230 nan 0.000 0.429 156 F N 1.483 121.347 119.950 -0.142 0.000 2.410 156 F HA 0.712 5.239 4.527 0.000 0.000 0.348 156 F C 0.996 176.737 175.800 -0.099 0.000 1.106 156 F CA -0.442 57.481 58.000 -0.129 0.000 1.163 156 F CB 1.781 40.702 39.000 -0.131 0.000 1.129 156 F HN 0.415 nan 8.300 nan 0.000 0.516 157 G N 1.077 109.900 108.800 0.038 0.000 2.733 157 G HA2 0.495 4.455 3.960 0.000 0.000 0.297 157 G HA3 0.495 4.455 3.960 0.000 0.000 0.297 157 G C -0.527 174.282 174.900 -0.151 0.000 1.452 157 G CA -0.444 44.647 45.100 -0.016 0.000 0.940 157 G HN 0.923 nan 8.290 nan 0.000 0.547 158 G N -0.256 108.445 108.800 -0.166 0.000 2.631 158 G HA2 0.626 4.586 3.960 0.000 0.000 0.271 158 G HA3 0.626 4.586 3.960 0.000 0.000 0.271 158 G C 0.768 175.604 174.900 -0.107 0.000 1.302 158 G CA 0.387 45.322 45.100 -0.274 0.000 1.002 158 G HN 1.637 nan 8.290 nan 0.000 0.519 159 A N -1.354 121.465 122.820 -0.003 0.000 2.492 159 A HA 0.529 4.849 4.320 0.000 0.000 0.254 159 A C 1.488 179.139 177.584 0.111 0.000 1.091 159 A CA 0.985 53.145 52.037 0.204 0.000 0.768 159 A CB -0.482 18.666 19.000 0.245 0.000 1.028 159 A HN 2.552 nan 8.150 nan 0.000 0.498 160 G N 0.978 109.849 108.800 0.118 0.000 2.160 160 G HA2 -0.191 3.769 3.960 0.000 0.000 0.251 160 G HA3 -0.191 3.769 3.960 0.000 0.000 0.251 160 G C 0.705 175.651 174.900 0.077 0.000 1.008 160 G CA 0.987 46.134 45.100 0.078 0.000 0.724 160 G HN 2.082 nan 8.290 nan 0.000 0.514 161 V N -3.729 116.237 119.914 0.086 0.000 3.174 161 V HA 0.633 4.753 4.120 0.000 0.000 0.254 161 V C 1.762 177.951 176.094 0.158 0.000 1.120 161 V CA 1.367 63.730 62.300 0.105 0.000 1.114 161 V CB 0.308 32.168 31.823 0.060 0.000 0.756 161 V HN 2.090 nan 8.190 nan 0.000 0.467 162 G N 0.300 109.185 108.800 0.141 0.000 2.215 162 G HA2 -0.122 3.838 3.960 0.000 0.000 0.187 162 G HA3 -0.122 3.838 3.960 0.000 0.000 0.187 162 G C 0.450 175.485 174.900 0.225 0.000 1.039 162 G CA 0.107 45.315 45.100 0.180 0.000 0.771 162 G HN 0.417 nan 8.290 nan 0.000 0.507 163 K N -0.072 120.430 120.400 0.170 0.000 2.057 163 K HA -0.044 4.277 4.320 0.000 0.000 0.207 163 K C 2.461 179.205 176.600 0.240 0.000 1.049 163 K CA 1.905 58.293 56.287 0.169 0.000 0.931 163 K CB -0.211 32.357 32.500 0.114 0.000 0.714 163 K HN 0.269 nan 8.250 nan 0.000 0.440 164 T N 1.005 115.685 114.554 0.209 0.000 2.812 164 T HA -0.069 4.281 4.350 0.000 0.000 0.264 164 T C 2.073 176.909 174.700 0.226 0.000 1.042 164 T CA 0.914 63.141 62.100 0.213 0.000 1.140 164 T CB -0.153 68.818 68.868 0.172 0.000 0.870 164 T HN -0.068 nan 8.240 nan 0.000 0.445 165 V N 0.971 121.018 119.914 0.222 0.000 2.490 165 V HA -0.122 3.998 4.120 0.000 0.000 0.250 165 V C 1.984 178.286 176.094 0.346 0.000 1.061 165 V CA 1.452 63.896 62.300 0.239 0.000 1.064 165 V CB -0.682 31.256 31.823 0.192 0.000 0.670 165 V HN 0.393 nan 8.190 nan 0.000 0.461 166 F N -0.109 120.000 119.950 0.264 0.000 2.146 166 F HA -0.125 4.402 4.527 0.000 0.000 0.298 166 F C 2.129 178.051 175.800 0.204 0.000 1.096 166 F CA 1.571 59.762 58.000 0.318 0.000 1.275 166 F CB -0.102 39.084 39.000 0.309 0.000 1.008 166 F HN 0.021 nan 8.300 nan 0.000 0.480 167 I N -0.191 120.648 120.570 0.449 0.000 2.226 167 I HA -0.341 3.829 4.170 0.000 0.000 0.245 167 I C 2.330 178.527 176.117 0.133 0.000 1.100 167 I CA 1.389 62.887 61.300 0.330 0.000 1.374 167 I CB -0.412 37.786 38.000 0.331 0.000 1.057 167 I HN 0.256 nan 8.210 nan 0.000 0.413 168 Q N -0.016 119.844 119.800 0.100 0.000 2.096 168 Q HA -0.301 4.039 4.340 0.000 0.000 0.204 168 Q C 2.070 178.025 176.000 -0.074 0.000 0.982 168 Q CA 1.869 57.668 55.803 -0.007 0.000 0.850 168 Q CB -0.142 28.614 28.738 0.031 0.000 0.901 168 Q HN 0.367 nan 8.270 nan 0.000 0.422 169 E N 0.900 121.036 120.200 -0.107 0.000 2.077 169 E HA -0.136 4.214 4.350 0.000 0.000 0.193 169 E C 1.841 178.274 176.600 -0.278 0.000 0.989 169 E CA 0.857 57.065 56.400 -0.320 0.000 0.800 169 E CB -0.208 29.019 29.700 -0.788 0.000 0.746 169 E HN 0.263 nan 8.360 nan 0.000 0.452 170 L N 0.027 121.157 121.223 -0.154 0.000 2.079 170 L HA -0.201 4.139 4.340 0.000 0.000 0.210 170 L C 2.413 179.294 176.870 0.019 0.000 1.081 170 L CA 1.107 55.952 54.840 0.008 0.000 0.752 170 L CB -0.355 41.865 42.059 0.267 0.000 0.896 170 L HN 0.254 nan 8.230 nan 0.000 0.433 171 I N -0.340 120.166 120.570 -0.108 0.000 2.202 171 I HA -0.297 3.873 4.170 0.000 0.000 0.242 171 I C 2.276 178.320 176.117 -0.121 0.000 1.091 171 I CA 1.340 62.500 61.300 -0.233 0.000 1.368 171 I CB -0.312 37.430 38.000 -0.430 0.000 1.058 171 I HN 0.316 nan 8.210 nan 0.000 0.410 172 N N 1.095 119.719 118.700 -0.126 0.000 2.205 172 N HA -0.199 4.541 4.740 0.000 0.000 0.186 172 N C 1.474 176.932 175.510 -0.086 0.000 1.015 172 N CA 1.594 54.581 53.050 -0.105 0.000 0.862 172 N CB -0.052 38.362 38.487 -0.122 0.000 0.986 172 N HN 0.226 nan 8.380 nan 0.000 0.429 173 N N -0.837 117.808 118.700 -0.092 0.000 2.402 173 N HA 0.185 4.925 4.740 0.000 0.000 0.174 173 N C 1.234 176.736 175.510 -0.014 0.000 1.027 173 N CA 0.682 53.687 53.050 -0.075 0.000 0.891 173 N CB 0.335 38.746 38.487 -0.126 0.000 1.016 173 N HN 0.352 nan 8.380 nan 0.000 0.439 174 I N -0.677 119.911 120.570 0.029 0.000 3.718 174 I HA 0.207 4.378 4.170 0.000 0.000 0.297 174 I C 1.929 178.107 176.117 0.102 0.000 1.220 174 I CA 0.191 61.540 61.300 0.081 0.000 1.381 174 I CB -0.056 38.016 38.000 0.121 0.000 1.238 174 I HN -0.072 nan 8.210 nan 0.000 0.448 175 A N 1.510 124.385 122.820 0.091 0.000 1.898 175 A HA -0.170 4.151 4.320 0.000 0.000 0.216 175 A C 2.271 179.904 177.584 0.082 0.000 1.181 175 A CA 1.485 53.577 52.037 0.092 0.000 0.620 175 A CB -0.400 18.632 19.000 0.054 0.000 0.819 175 A HN 0.242 nan 8.150 nan 0.000 0.442 176 K N -0.459 119.963 120.400 0.036 0.000 2.020 176 K HA -0.109 4.211 4.320 0.000 0.000 0.212 176 K C 0.811 177.430 176.600 0.032 0.000 1.050 176 K CA 1.325 57.623 56.287 0.019 0.000 0.929 176 K CB -0.270 32.227 32.500 -0.006 0.000 0.714 176 K HN 0.414 nan 8.250 nan 0.000 0.443 177 A N 0.785 123.631 122.820 0.043 0.000 2.644 177 A HA 0.223 4.543 4.320 0.000 0.000 0.343 177 A C -0.188 177.443 177.584 0.079 0.000 1.324 177 A CA -0.436 51.622 52.037 0.035 0.000 0.846 177 A CB 0.122 19.128 19.000 0.010 0.000 1.128 177 A HN 0.386 nan 8.150 nan 0.000 0.484 178 H N 0.914 119.969 119.070 -0.026 0.000 2.735 178 H HA 0.402 4.958 4.556 0.000 0.000 0.250 178 H C 1.413 176.700 175.328 -0.068 0.000 0.948 178 H CA 1.778 57.809 56.048 -0.028 0.000 1.137 178 H CB 0.788 30.548 29.762 -0.003 0.000 1.440 178 H HN 1.046 nan 8.280 nan 0.000 0.444 179 G N -0.289 108.343 108.800 -0.279 0.000 2.475 179 G HA2 -0.234 3.726 3.960 0.000 0.000 0.209 179 G HA3 -0.234 3.726 3.960 0.000 0.000 0.209 179 G C 1.109 175.749 174.900 -0.434 0.000 1.127 179 G CA 0.209 45.097 45.100 -0.352 0.000 0.681 179 G HN 0.852 nan 8.290 nan 0.000 0.517 180 G N -0.003 108.475 108.800 -0.538 0.000 2.783 180 G HA2 0.579 4.539 3.960 0.000 0.000 0.182 180 G HA3 0.579 4.539 3.960 0.000 0.000 0.182 180 G C -0.280 174.271 174.900 -0.583 0.000 1.516 180 G CA -0.249 44.528 45.100 -0.537 0.000 1.079 180 G HN 0.490 nan 8.290 nan 0.000 0.573 181 F N -0.705 119.223 119.950 -0.036 0.000 2.538 181 F HA 0.642 5.169 4.527 0.000 0.000 0.325 181 F C 0.479 176.211 175.800 -0.113 0.000 1.066 181 F CA -0.698 57.178 58.000 -0.207 0.000 0.946 181 F CB 2.377 40.932 39.000 -0.742 0.000 1.199 181 F HN 0.137 nan 8.300 nan 0.000 0.473 182 S N 0.851 116.631 115.700 0.134 0.000 2.537 182 S HA 0.798 5.268 4.470 0.000 0.000 0.301 182 S C -1.029 173.660 174.600 0.148 0.000 1.092 182 S CA -0.720 57.570 58.200 0.150 0.000 1.048 182 S CB 1.952 65.290 63.200 0.230 0.000 1.053 182 S HN 0.316 nan 8.310 nan 0.000 0.501 183 V N 3.190 123.207 119.914 0.172 0.000 2.483 183 V HA 0.478 4.598 4.120 0.000 0.000 0.297 183 V C -1.081 175.136 176.094 0.204 0.000 1.027 183 V CA -0.688 61.707 62.300 0.159 0.000 0.855 183 V CB 1.177 33.065 31.823 0.109 0.000 0.995 183 V HN 0.833 nan 8.190 nan 0.000 0.424 184 F N 3.281 123.255 119.950 0.040 0.000 2.436 184 F HA 0.693 5.220 4.527 0.000 0.000 0.340 184 F C 0.353 176.026 175.800 -0.210 0.000 1.113 184 F CA 0.082 58.071 58.000 -0.019 0.000 1.022 184 F CB 1.751 40.721 39.000 -0.051 0.000 1.128 184 F HN 0.473 nan 8.300 nan 0.000 0.466 185 T N 4.703 118.849 114.554 -0.679 0.000 2.833 185 T HA 0.450 4.800 4.350 0.000 0.000 0.297 185 T C -0.004 174.347 174.700 -0.583 0.000 1.015 185 T CA -0.662 61.129 62.100 -0.515 0.000 0.963 185 T CB 1.124 69.789 68.868 -0.339 0.000 0.955 185 T HN 0.856 nan 8.240 nan 0.000 0.449 186 G N 2.032 110.593 108.800 -0.399 0.000 2.350 186 G HA2 0.516 4.476 3.960 0.000 0.000 0.306 186 G HA3 0.516 4.476 3.960 0.000 0.000 0.306 186 G C -0.460 174.489 174.900 0.082 0.000 1.094 186 G CA -0.381 44.752 45.100 0.056 0.000 0.953 186 G HN 0.654 nan 8.290 nan 0.000 0.420 187 V N 2.681 122.622 119.914 0.045 0.000 2.313 187 V HA 0.602 4.722 4.120 0.000 0.000 0.278 187 V C 1.085 177.228 176.094 0.082 0.000 1.017 187 V CA 0.232 62.561 62.300 0.048 0.000 0.823 187 V CB 0.763 32.588 31.823 0.003 0.000 1.010 187 V HN 1.358 nan 8.190 nan 0.000 0.443 188 G N 3.344 112.198 108.800 0.090 0.000 2.273 188 G HA2 -0.182 3.778 3.960 0.000 0.000 0.280 188 G HA3 -0.182 3.778 3.960 0.000 0.000 0.280 188 G C 0.109 175.055 174.900 0.076 0.000 1.047 188 G CA 0.419 45.560 45.100 0.069 0.000 0.869 188 G HN 0.592 nan 8.290 nan 0.000 0.502 189 E N -0.874 119.396 120.200 0.116 0.000 2.586 189 E HA 0.451 4.801 4.350 0.000 0.000 0.232 189 E C 0.734 177.394 176.600 0.100 0.000 0.854 189 E CA -0.969 55.501 56.400 0.117 0.000 0.938 189 E CB 0.707 30.510 29.700 0.172 0.000 1.518 189 E HN 0.352 nan 8.360 nan 0.000 0.400 190 R N 0.406 120.963 120.500 0.095 0.000 2.298 190 R HA 0.213 4.553 4.340 0.000 0.000 0.310 190 R C 1.116 177.431 176.300 0.026 0.000 1.068 190 R CA 0.026 56.158 56.100 0.054 0.000 0.957 190 R CB 0.504 30.834 30.300 0.050 0.000 1.003 190 R HN 0.417 nan 8.270 nan 0.000 0.454 191 T N 2.370 116.915 114.554 -0.015 0.000 2.684 191 T HA -0.206 4.144 4.350 0.000 0.000 0.267 191 T C 1.807 176.440 174.700 -0.110 0.000 1.036 191 T CA 1.386 63.431 62.100 -0.092 0.000 1.148 191 T CB -0.138 68.685 68.868 -0.074 0.000 0.863 191 T HN 0.568 nan 8.240 nan 0.000 0.436 192 R N 1.086 121.555 120.500 -0.051 0.000 2.119 192 R HA -0.203 4.138 4.340 0.000 0.000 0.246 192 R C 2.114 178.392 176.300 -0.037 0.000 1.146 192 R CA 2.045 58.123 56.100 -0.037 0.000 0.962 192 R CB -0.220 30.076 30.300 -0.006 0.000 0.863 192 R HN 0.512 nan 8.270 nan 0.000 0.442 193 E N -1.030 119.162 120.200 -0.013 0.000 2.106 193 E HA -0.104 4.246 4.350 0.000 0.000 0.192 193 E C 1.900 178.483 176.600 -0.030 0.000 0.984 193 E CA 0.982 57.390 56.400 0.013 0.000 0.806 193 E CB -0.195 29.553 29.700 0.079 0.000 0.750 193 E HN 0.622 nan 8.360 nan 0.000 0.458 194 G N 1.674 110.393 108.800 -0.135 0.000 2.446 194 G HA2 -0.348 3.612 3.960 0.000 0.000 0.217 194 G HA3 -0.348 3.612 3.960 0.000 0.000 0.217 194 G C 1.451 176.185 174.900 -0.277 0.000 1.168 194 G CA 0.849 45.687 45.100 -0.438 0.000 0.771 194 G HN 0.197 nan 8.290 nan 0.000 0.551 195 N N 1.067 119.647 118.700 -0.199 0.000 2.043 195 N HA -0.153 4.587 4.740 0.000 0.000 0.193 195 N C 1.727 177.238 175.510 0.001 0.000 1.037 195 N CA 1.762 54.777 53.050 -0.059 0.000 0.851 195 N CB -0.350 38.106 38.487 -0.052 0.000 1.027 195 N HN 0.145 nan 8.380 nan 0.000 0.422 196 D N 0.917 121.303 120.400 -0.022 0.000 2.126 196 D HA -0.185 4.455 4.640 0.000 0.000 0.190 196 D C 2.039 178.327 176.300 -0.021 0.000 1.001 196 D CA 0.737 54.727 54.000 -0.016 0.000 0.841 196 D CB -0.521 40.273 40.800 -0.010 0.000 0.949 196 D HN 0.251 nan 8.370 nan 0.000 0.446 197 L N -0.165 121.038 121.223 -0.033 0.000 2.017 197 L HA -0.199 4.141 4.340 0.000 0.000 0.208 197 L C 2.291 179.176 176.870 0.026 0.000 1.073 197 L CA 1.433 56.235 54.840 -0.064 0.000 0.745 197 L CB -0.692 41.266 42.059 -0.168 0.000 0.894 197 L HN 0.044 nan 8.230 nan 0.000 0.432 198 Y N 0.544 120.805 120.300 -0.066 0.000 2.128 198 Y HA -0.295 4.255 4.550 0.000 0.000 0.284 198 Y C 2.885 178.763 175.900 -0.036 0.000 1.154 198 Y CA 2.212 60.294 58.100 -0.030 0.000 1.149 198 Y CB -0.476 37.967 38.460 -0.029 0.000 0.976 198 Y HN 0.225 nan 8.280 nan 0.000 0.505 199 R N 0.085 120.535 120.500 -0.084 0.000 2.073 199 R HA -0.224 4.116 4.340 0.000 0.000 0.234 199 R C 2.232 178.456 176.300 -0.127 0.000 1.134 199 R CA 1.862 57.861 56.100 -0.169 0.000 0.952 199 R CB -0.403 29.841 30.300 -0.094 0.000 0.850 199 R HN 0.311 nan 8.270 nan 0.000 0.433 200 E N 0.657 120.811 120.200 -0.078 0.000 2.065 200 E HA -0.227 4.123 4.350 0.000 0.000 0.201 200 E C 1.983 178.538 176.600 -0.074 0.000 1.016 200 E CA 2.206 58.564 56.400 -0.071 0.000 0.818 200 E CB -0.160 29.500 29.700 -0.067 0.000 0.749 200 E HN 0.307 nan 8.360 nan 0.000 0.453 201 M N -0.096 119.465 119.600 -0.065 0.000 2.149 201 M HA -0.155 4.325 4.480 0.000 0.000 0.261 201 M C 2.212 178.475 176.300 -0.061 0.000 1.064 201 M CA 1.585 56.858 55.300 -0.044 0.000 1.102 201 M CB -0.665 31.943 32.600 0.013 0.000 1.369 201 M HN 0.046 nan 8.290 nan 0.000 0.408 202 K N 0.249 120.576 120.400 -0.122 0.000 2.148 202 K HA -0.136 4.184 4.320 0.000 0.000 0.204 202 K C 1.925 178.467 176.600 -0.097 0.000 1.050 202 K CA 1.166 57.369 56.287 -0.140 0.000 0.942 202 K CB 0.018 32.365 32.500 -0.256 0.000 0.724 202 K HN 0.398 nan 8.250 nan 0.000 0.446 203 E N -0.476 119.669 120.200 -0.091 0.000 2.076 203 E HA -0.099 4.251 4.350 0.000 0.000 0.190 203 E C 1.689 178.259 176.600 -0.051 0.000 0.979 203 E CA 1.518 57.877 56.400 -0.068 0.000 0.807 203 E CB 0.143 29.803 29.700 -0.066 0.000 0.761 203 E HN 0.373 nan 8.360 nan 0.000 0.454 204 T N -2.236 112.288 114.554 -0.049 0.000 3.160 204 T HA 0.111 4.461 4.350 0.000 0.000 0.257 204 T C 1.477 176.160 174.700 -0.028 0.000 1.147 204 T CA 0.408 62.485 62.100 -0.038 0.000 1.064 204 T CB 0.055 68.898 68.868 -0.041 0.000 0.949 204 T HN 0.273 nan 8.240 nan 0.000 0.526 205 G N 0.495 109.278 108.800 -0.028 0.000 2.198 205 G HA2 -0.269 3.692 3.960 0.000 0.000 0.260 205 G HA3 -0.269 3.692 3.960 0.000 0.000 0.260 205 G C 0.687 175.586 174.900 -0.001 0.000 1.025 205 G CA 0.236 45.326 45.100 -0.016 0.000 0.769 205 G HN 0.566 nan 8.290 nan 0.000 0.507 206 V N -0.566 119.348 119.914 0.001 0.000 2.725 206 V HA 0.278 4.398 4.120 0.000 0.000 0.247 206 V C 1.547 177.667 176.094 0.044 0.000 1.058 206 V CA 1.350 63.663 62.300 0.022 0.000 1.080 206 V CB 0.072 31.904 31.823 0.016 0.000 0.713 206 V HN 0.478 nan 8.190 nan 0.000 0.465 207 I N 0.922 121.514 120.570 0.037 0.000 2.378 207 I HA 0.347 4.517 4.170 0.000 0.000 0.291 207 I C -0.532 175.601 176.117 0.027 0.000 0.992 207 I CA -0.146 61.188 61.300 0.058 0.000 1.154 207 I CB 1.526 39.583 38.000 0.095 0.000 1.315 207 I HN 0.112 nan 8.210 nan 0.000 0.448 208 N N 5.004 123.728 118.700 0.040 0.000 2.442 208 N HA 0.394 5.134 4.740 0.000 0.000 0.274 208 N C 0.618 176.149 175.510 0.036 0.000 1.002 208 N CA -0.497 52.567 53.050 0.024 0.000 0.910 208 N CB 1.661 40.162 38.487 0.023 0.000 1.244 208 N HN 0.506 nan 8.380 nan 0.000 0.492 209 L N 1.472 122.709 121.223 0.023 0.000 2.131 209 L HA -0.073 4.267 4.340 0.000 0.000 0.210 209 L C 1.226 178.115 176.870 0.032 0.000 1.092 209 L CA 1.238 56.099 54.840 0.036 0.000 0.759 209 L CB 0.013 42.085 42.059 0.021 0.000 0.903 209 L HN 0.569 nan 8.230 nan 0.000 0.435 210 E N -0.740 119.473 120.200 0.022 0.000 2.364 210 E HA 0.096 4.446 4.350 0.000 0.000 0.196 210 E C 1.183 177.798 176.600 0.024 0.000 0.990 210 E CA 0.527 56.939 56.400 0.020 0.000 0.886 210 E CB 0.393 30.100 29.700 0.012 0.000 0.866 210 E HN 0.380 nan 8.360 nan 0.000 0.493 211 G N -0.475 108.342 108.800 0.028 0.000 3.410 211 G HA2 0.260 4.220 3.960 0.000 0.000 0.189 211 G HA3 0.260 4.220 3.960 0.000 0.000 0.189 211 G C -0.301 174.626 174.900 0.045 0.000 1.404 211 G CA -0.449 44.670 45.100 0.032 0.000 0.898 211 G HN -0.108 nan 8.290 nan 0.000 0.650 212 E N -0.132 120.099 120.200 0.051 0.000 2.222 212 E HA 0.658 5.008 4.350 0.000 0.000 0.267 212 E C -0.968 175.679 176.600 0.078 0.000 0.963 212 E CA -0.412 56.031 56.400 0.071 0.000 0.837 212 E CB 1.890 31.636 29.700 0.077 0.000 1.183 212 E HN 0.184 nan 8.360 nan 0.000 0.403 213 S N 0.618 116.381 115.700 0.105 0.000 2.548 213 S HA 0.313 4.783 4.470 0.000 0.000 0.286 213 S C 0.552 175.246 174.600 0.157 0.000 1.098 213 S CA -0.764 57.502 58.200 0.111 0.000 0.930 213 S CB 1.828 65.093 63.200 0.107 0.000 1.070 213 S HN 0.320 nan 8.310 nan 0.000 0.480 214 K N 0.411 120.896 120.400 0.141 0.000 2.356 214 K HA 0.253 4.573 4.320 0.000 0.000 0.195 214 K C 0.166 176.880 176.600 0.191 0.000 1.037 214 K CA 0.354 56.750 56.287 0.182 0.000 1.014 214 K CB 0.572 33.132 32.500 0.099 0.000 0.815 214 K HN 0.319 nan 8.250 nan 0.000 0.507 215 V N 0.436 120.437 119.914 0.144 0.000 2.823 215 V HA 0.693 4.813 4.120 0.000 0.000 0.312 215 V C -1.763 174.409 176.094 0.130 0.000 1.072 215 V CA -0.851 61.530 62.300 0.136 0.000 0.937 215 V CB 1.846 33.748 31.823 0.131 0.000 1.013 215 V HN 0.105 nan 8.190 nan 0.000 0.430 216 A N 6.513 129.413 122.820 0.134 0.000 2.331 216 A HA 0.845 5.165 4.320 0.000 0.000 0.320 216 A C -1.171 176.479 177.584 0.110 0.000 1.138 216 A CA -0.633 51.479 52.037 0.125 0.000 0.790 216 A CB 1.062 20.152 19.000 0.150 0.000 1.206 216 A HN 0.844 nan 8.150 nan 0.000 0.470 217 L N 2.755 124.030 121.223 0.087 0.000 2.307 217 L HA 0.617 4.958 4.340 0.000 0.000 0.284 217 L C -0.854 175.989 176.870 -0.044 0.000 1.023 217 L CA -0.861 54.002 54.840 0.038 0.000 0.810 217 L CB 1.698 43.852 42.059 0.158 0.000 1.231 217 L HN 0.416 nan 8.230 nan 0.000 0.423 218 V N 3.492 123.268 119.914 -0.230 0.000 2.531 218 V HA 0.488 4.608 4.120 0.000 0.000 0.301 218 V C -0.807 175.043 176.094 -0.406 0.000 1.034 218 V CA -0.452 61.732 62.300 -0.194 0.000 0.865 218 V CB 1.824 33.569 31.823 -0.131 0.000 0.995 218 V HN 0.386 nan 8.190 nan 0.000 0.424 219 F N 1.998 121.972 119.950 0.041 0.000 2.529 219 F HA 0.778 5.305 4.527 0.000 0.000 0.320 219 F C 0.652 176.467 175.800 0.025 0.000 1.118 219 F CA -0.645 57.384 58.000 0.048 0.000 0.915 219 F CB 2.560 41.585 39.000 0.042 0.000 1.161 219 F HN 0.542 nan 8.300 nan 0.000 0.445 220 G N 3.680 112.618 108.800 0.231 0.000 3.881 220 G HA2 0.310 4.270 3.960 0.000 0.000 0.319 220 G HA3 0.310 4.270 3.960 0.000 0.000 0.319 220 G C -0.748 174.237 174.900 0.141 0.000 1.472 220 G CA -0.490 44.695 45.100 0.142 0.000 0.851 220 G HN 0.303 nan 8.290 nan 0.000 0.495 221 Q N 0.888 120.778 119.800 0.151 0.000 2.500 221 Q HA 0.153 4.494 4.340 0.000 0.000 0.215 221 Q C 2.043 178.085 176.000 0.070 0.000 1.062 221 Q CA -0.504 55.372 55.803 0.122 0.000 0.996 221 Q CB 0.719 29.515 28.738 0.096 0.000 1.239 221 Q HN 0.731 nan 8.270 nan 0.000 0.578 222 M N -0.150 119.484 119.600 0.056 0.000 2.700 222 M HA -0.066 4.415 4.480 0.000 0.000 0.249 222 M C 0.581 176.893 176.300 0.021 0.000 1.082 222 M CA 1.242 56.561 55.300 0.032 0.000 1.077 222 M CB -0.333 32.281 32.600 0.023 0.000 1.477 222 M HN 0.362 nan 8.290 nan 0.000 0.529 223 N N 0.082 118.795 118.700 0.023 0.000 2.336 223 N HA 0.061 4.801 4.740 0.000 0.000 0.189 223 N C -0.310 175.210 175.510 0.015 0.000 1.113 223 N CA 0.162 53.221 53.050 0.015 0.000 0.858 223 N CB -0.049 38.443 38.487 0.010 0.000 0.970 223 N HN 0.429 nan 8.380 nan 0.000 0.471 224 E N 1.558 121.771 120.200 0.022 0.000 2.283 224 E HA 0.383 4.733 4.350 0.000 0.000 0.271 224 E C -2.273 174.335 176.600 0.015 0.000 1.031 224 E CA -1.945 54.468 56.400 0.021 0.000 0.868 224 E CB 0.803 30.523 29.700 0.032 0.000 1.094 224 E HN 0.139 nan 8.360 nan 0.000 0.401 225 P HA -0.003 nan 4.420 nan 0.000 0.269 225 P C -1.793 175.510 177.300 0.005 0.000 1.217 225 P CA -0.816 62.288 63.100 0.007 0.000 0.783 225 P CB 0.005 31.710 31.700 0.008 0.000 0.898 226 P HA -0.143 nan 4.420 nan 0.000 0.220 226 P C 1.444 178.740 177.300 -0.007 0.000 1.148 226 P CA 1.686 64.777 63.100 -0.015 0.000 0.803 226 P CB -0.444 31.240 31.700 -0.027 0.000 0.782 227 G N 0.834 109.637 108.800 0.005 0.000 2.421 227 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 227 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 227 G C 1.829 176.747 174.900 0.029 0.000 1.171 227 G CA 1.133 46.244 45.100 0.018 0.000 0.775 227 G HN 0.352 nan 8.290 nan 0.000 0.543 228 A N 0.928 123.764 122.820 0.027 0.000 1.858 228 A HA -0.027 4.293 4.320 0.000 0.000 0.216 228 A C 2.438 180.046 177.584 0.039 0.000 1.190 228 A CA 1.713 53.770 52.037 0.033 0.000 0.617 228 A CB -0.454 18.565 19.000 0.031 0.000 0.827 228 A HN 0.349 nan 8.150 nan 0.000 0.443 229 R N -0.528 119.992 120.500 0.034 0.000 2.127 229 R HA -0.093 4.247 4.340 0.000 0.000 0.238 229 R C 2.255 178.598 176.300 0.071 0.000 1.134 229 R CA 1.142 57.267 56.100 0.041 0.000 0.975 229 R CB -0.433 29.878 30.300 0.019 0.000 0.865 229 R HN 0.517 nan 8.270 nan 0.000 0.447 230 A N 0.490 123.345 122.820 0.060 0.000 2.119 230 A HA -0.040 4.280 4.320 0.000 0.000 0.217 230 A C 1.797 179.520 177.584 0.231 0.000 1.153 230 A CA 0.913 53.017 52.037 0.111 0.000 0.692 230 A CB 0.076 19.073 19.000 -0.004 0.000 0.799 230 A HN 0.073 nan 8.150 nan 0.000 0.458 231 R N -1.967 118.604 120.500 0.119 0.000 2.342 231 R HA 0.133 4.474 4.340 0.000 0.000 0.204 231 R C 1.795 178.091 176.300 -0.008 0.000 0.882 231 R CA 0.839 56.974 56.100 0.059 0.000 1.041 231 R CB -1.055 29.270 30.300 0.041 0.000 1.188 231 R HN 0.319 nan 8.270 nan 0.000 0.598 232 V N 1.913 121.831 119.914 0.007 0.000 2.546 232 V HA -0.257 3.863 4.120 0.000 0.000 0.254 232 V C 2.143 178.191 176.094 -0.076 0.000 1.076 232 V CA 2.218 64.504 62.300 -0.024 0.000 1.087 232 V CB -0.405 31.421 31.823 0.005 0.000 0.674 232 V HN 0.327 nan 8.190 nan 0.000 0.470 233 A N -0.693 122.070 122.820 -0.095 0.000 1.969 233 A HA -0.060 4.260 4.320 0.000 0.000 0.218 233 A C 2.071 179.532 177.584 -0.205 0.000 1.169 233 A CA 1.657 53.585 52.037 -0.181 0.000 0.635 233 A CB -0.427 18.408 19.000 -0.275 0.000 0.810 233 A HN 0.574 nan 8.150 nan 0.000 0.445 234 L N -0.706 120.398 121.223 -0.199 0.000 2.291 234 L HA -0.104 4.236 4.340 0.000 0.000 0.214 234 L C 2.552 179.319 176.870 -0.172 0.000 1.120 234 L CA 1.395 56.105 54.840 -0.216 0.000 0.799 234 L CB -0.712 41.182 42.059 -0.274 0.000 0.925 234 L HN 0.324 nan 8.230 nan 0.000 0.446 235 T N -0.323 114.147 114.554 -0.139 0.000 2.770 235 T HA -0.065 4.285 4.350 0.000 0.000 0.263 235 T C 1.944 176.587 174.700 -0.095 0.000 1.039 235 T CA 1.227 63.263 62.100 -0.106 0.000 1.142 235 T CB -0.458 68.362 68.868 -0.079 0.000 0.868 235 T HN 0.504 nan 8.240 nan 0.000 0.435 236 G N 1.813 110.549 108.800 -0.106 0.000 2.469 236 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 236 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 236 G C 1.521 176.374 174.900 -0.079 0.000 1.150 236 G CA 0.929 45.970 45.100 -0.099 0.000 0.763 236 G HN 0.397 nan 8.290 nan 0.000 0.561 237 L N 0.769 121.928 121.223 -0.108 0.000 2.093 237 L HA 0.075 4.416 4.340 0.000 0.000 0.208 237 L C 2.776 179.610 176.870 -0.059 0.000 1.085 237 L CA 2.382 57.164 54.840 -0.096 0.000 0.755 237 L CB -0.901 41.073 42.059 -0.141 0.000 0.904 237 L HN 0.161 nan 8.230 nan 0.000 0.435 238 T N -0.268 114.243 114.554 -0.070 0.000 2.904 238 T HA -0.037 4.313 4.350 0.000 0.000 0.267 238 T C 1.980 176.658 174.700 -0.036 0.000 1.059 238 T CA 1.496 63.563 62.100 -0.055 0.000 1.137 238 T CB -0.164 68.657 68.868 -0.078 0.000 0.879 238 T HN 0.292 nan 8.240 nan 0.000 0.467 239 I N 1.404 121.950 120.570 -0.040 0.000 2.179 239 I HA -0.162 4.008 4.170 0.000 0.000 0.242 239 I C 2.955 179.113 176.117 0.069 0.000 1.088 239 I CA 1.148 62.424 61.300 -0.040 0.000 1.357 239 I CB -0.525 37.483 38.000 0.015 0.000 1.051 239 I HN 0.179 nan 8.210 nan 0.000 0.409 240 A N 0.457 123.361 122.820 0.139 0.000 1.940 240 A HA -0.232 4.088 4.320 0.000 0.000 0.219 240 A C 2.186 179.865 177.584 0.159 0.000 1.176 240 A CA 1.735 53.903 52.037 0.219 0.000 0.631 240 A CB -0.596 18.463 19.000 0.098 0.000 0.814 240 A HN 0.469 nan 8.150 nan 0.000 0.446 241 E N -2.060 118.179 120.200 0.065 0.000 2.208 241 E HA -0.161 4.190 4.350 0.000 0.000 0.193 241 E C 1.733 178.344 176.600 0.018 0.000 0.988 241 E CA 1.048 57.467 56.400 0.031 0.000 0.828 241 E CB -0.213 29.487 29.700 0.000 0.000 0.763 241 E HN 0.816 nan 8.360 nan 0.000 0.478 242 Y N 0.122 120.348 120.300 -0.124 0.000 2.220 242 Y HA -0.216 4.335 4.550 0.000 0.000 0.291 242 Y C 1.731 177.513 175.900 -0.197 0.000 1.129 242 Y CA 1.378 59.348 58.100 -0.217 0.000 1.161 242 Y CB -0.110 38.125 38.460 -0.375 0.000 0.997 242 Y HN -0.061 nan 8.280 nan 0.000 0.522 243 F N 0.210 120.226 119.950 0.110 0.000 2.161 243 F HA -0.181 4.346 4.527 0.000 0.000 0.300 243 F C 2.706 178.523 175.800 0.029 0.000 1.089 243 F CA 1.864 59.909 58.000 0.074 0.000 1.282 243 F CB -0.773 38.306 39.000 0.132 0.000 1.010 243 F HN -0.019 nan 8.300 nan 0.000 0.485 244 R N 0.395 120.997 120.500 0.170 0.000 2.062 244 R HA -0.131 4.209 4.340 0.000 0.000 0.231 244 R C 1.668 177.968 176.300 -0.001 0.000 1.136 244 R CA 2.007 58.157 56.100 0.084 0.000 0.948 244 R CB -0.291 30.041 30.300 0.054 0.000 0.845 244 R HN 0.178 nan 8.270 nan 0.000 0.430 245 D N -0.079 120.275 120.400 -0.076 0.000 2.197 245 D HA -0.077 4.563 4.640 0.000 0.000 0.212 245 D C 1.828 178.018 176.300 -0.182 0.000 0.963 245 D CA 0.850 54.781 54.000 -0.115 0.000 0.864 245 D CB -0.026 40.703 40.800 -0.119 0.000 1.009 245 D HN 0.256 nan 8.370 nan 0.000 0.479 246 E N 0.884 120.866 120.200 -0.363 0.000 2.140 246 E HA -0.006 4.344 4.350 0.000 0.000 0.191 246 E C 1.381 177.834 176.600 -0.245 0.000 0.973 246 E CA 0.497 56.636 56.400 -0.436 0.000 0.829 246 E CB 0.043 29.157 29.700 -0.977 0.000 0.781 246 E HN 0.441 nan 8.360 nan 0.000 0.466 247 E N 0.388 120.493 120.200 -0.158 0.000 2.474 247 E HA 0.142 4.492 4.350 0.000 0.000 0.195 247 E C 0.306 176.957 176.600 0.085 0.000 1.039 247 E CA 0.071 56.498 56.400 0.044 0.000 0.881 247 E CB 0.460 30.297 29.700 0.227 0.000 0.970 247 E HN 0.179 nan 8.360 nan 0.000 0.486 248 G N 2.846 111.664 108.800 0.031 0.000 2.357 248 G HA2 -0.264 3.696 3.960 0.000 0.000 0.282 248 G HA3 -0.264 3.696 3.960 0.000 0.000 0.282 248 G C -0.002 174.940 174.900 0.070 0.000 0.910 248 G CA 0.644 45.765 45.100 0.035 0.000 1.267 248 G HN 0.066 nan 8.290 nan 0.000 0.476 249 Q N -0.409 119.461 119.800 0.117 0.000 2.416 249 Q HA 0.391 4.731 4.340 0.000 0.000 0.279 249 Q C -0.794 175.267 176.000 0.102 0.000 1.101 249 Q CA -0.833 55.049 55.803 0.130 0.000 0.830 249 Q CB 1.627 30.539 28.738 0.290 0.000 1.402 249 Q HN 0.331 nan 8.270 nan 0.000 0.445 250 D N 0.992 121.426 120.400 0.058 0.000 2.380 250 D HA 0.290 4.930 4.640 0.000 0.000 0.230 250 D C -0.552 175.868 176.300 0.201 0.000 1.154 250 D CA -0.035 54.023 54.000 0.098 0.000 0.859 250 D CB 0.900 41.730 40.800 0.049 0.000 1.045 250 D HN 0.042 nan 8.370 nan 0.000 0.495 251 V N 3.059 123.064 119.914 0.151 0.000 2.539 251 V HA 0.391 4.511 4.120 0.000 0.000 0.292 251 V C 0.420 176.507 176.094 -0.011 0.000 1.045 251 V CA -0.858 61.511 62.300 0.116 0.000 0.945 251 V CB 1.523 33.421 31.823 0.124 0.000 0.993 251 V HN 0.329 nan 8.190 nan 0.000 0.464 252 L N 4.801 125.960 121.223 -0.107 0.000 2.296 252 L HA 0.563 4.903 4.340 0.000 0.000 0.286 252 L C -0.778 175.932 176.870 -0.267 0.000 1.023 252 L CA -0.522 54.138 54.840 -0.299 0.000 0.812 252 L CB 1.603 43.446 42.059 -0.360 0.000 1.223 252 L HN 0.456 nan 8.230 nan 0.000 0.421 253 L N 4.062 125.035 121.223 -0.418 0.000 2.325 253 L HA 0.589 4.929 4.340 0.000 0.000 0.281 253 L C -1.343 175.227 176.870 -0.501 0.000 1.004 253 L CA 0.113 54.771 54.840 -0.303 0.000 0.823 253 L CB 1.065 43.005 42.059 -0.198 0.000 1.236 253 L HN 0.211 nan 8.230 nan 0.000 0.415 254 F N 6.047 125.898 119.950 -0.164 0.000 2.449 254 F HA 0.597 5.124 4.527 0.000 0.000 0.342 254 F C -0.068 175.395 175.800 -0.562 0.000 1.127 254 F CA -0.464 57.388 58.000 -0.247 0.000 0.975 254 F CB 1.417 40.384 39.000 -0.054 0.000 1.146 254 F HN 0.239 nan 8.300 nan 0.000 0.444 255 I N 2.946 123.343 120.570 -0.288 0.000 2.433 255 I HA 0.362 4.532 4.170 0.000 0.000 0.292 255 I C -1.210 174.745 176.117 -0.270 0.000 1.001 255 I CA -0.556 60.516 61.300 -0.380 0.000 1.119 255 I CB 1.967 39.810 38.000 -0.262 0.000 1.289 255 I HN 0.428 nan 8.210 nan 0.000 0.438 256 D N 6.071 126.302 120.400 -0.282 0.000 2.479 256 D HA 0.240 4.880 4.640 0.000 0.000 0.246 256 D C -1.500 174.821 176.300 0.036 0.000 1.336 256 D CA -0.316 53.668 54.000 -0.027 0.000 0.967 256 D CB 1.247 42.143 40.800 0.161 0.000 1.275 256 D HN 0.433 nan 8.370 nan 0.000 0.577 257 N N 4.464 123.198 118.700 0.056 0.000 2.346 257 N HA 0.239 4.980 4.740 0.000 0.000 0.289 257 N C 0.376 175.929 175.510 0.072 0.000 1.027 257 N CA -0.455 52.637 53.050 0.070 0.000 0.864 257 N CB 1.798 40.370 38.487 0.141 0.000 1.370 257 N HN 0.479 nan 8.380 nan 0.000 0.481 258 I N 3.297 123.885 120.570 0.029 0.000 3.111 258 I HA -0.101 4.069 4.170 0.000 0.000 0.272 258 I C 1.468 177.666 176.117 0.136 0.000 1.268 258 I CA 0.246 61.562 61.300 0.027 0.000 1.467 258 I CB -0.082 37.870 38.000 -0.080 0.000 1.087 258 I HN 0.529 nan 8.210 nan 0.000 0.467 259 F N 2.034 122.007 119.950 0.038 0.000 2.161 259 F HA -0.217 4.311 4.527 0.000 0.000 0.300 259 F C 2.350 178.216 175.800 0.110 0.000 1.089 259 F CA 1.440 59.494 58.000 0.090 0.000 1.282 259 F CB -0.316 38.772 39.000 0.147 0.000 1.010 259 F HN -0.050 nan 8.300 nan 0.000 0.485 260 R N 0.017 120.502 120.500 -0.024 0.000 2.249 260 R HA -0.203 4.137 4.340 0.000 0.000 0.230 260 R C 2.117 178.343 176.300 -0.123 0.000 1.121 260 R CA 1.327 57.344 56.100 -0.138 0.000 0.997 260 R CB -1.584 28.735 30.300 0.032 0.000 0.867 260 R HN 0.512 nan 8.270 nan 0.000 0.465 261 F N 1.403 121.243 119.950 -0.184 0.000 2.206 261 F HA -0.102 4.425 4.527 0.000 0.000 0.298 261 F C 1.898 177.600 175.800 -0.162 0.000 1.090 261 F CA 1.374 59.289 58.000 -0.141 0.000 1.323 261 F CB -0.272 38.658 39.000 -0.116 0.000 1.028 261 F HN -0.178 nan 8.300 nan 0.000 0.492 262 T N 0.039 114.327 114.554 -0.442 0.000 2.851 262 T HA -0.158 4.192 4.350 0.000 0.000 0.262 262 T C 1.868 176.338 174.700 -0.384 0.000 1.043 262 T CA 1.323 63.119 62.100 -0.506 0.000 1.140 262 T CB -0.265 68.425 68.868 -0.296 0.000 0.872 262 T HN 0.434 nan 8.240 nan 0.000 0.446 263 Q N 0.755 120.244 119.800 -0.519 0.000 2.084 263 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 263 Q C 2.394 178.263 176.000 -0.218 0.000 0.978 263 Q CA 1.471 57.050 55.803 -0.372 0.000 0.844 263 Q CB -0.263 28.134 28.738 -0.568 0.000 0.898 263 Q HN 0.510 nan 8.270 nan 0.000 0.426 264 A N 0.356 123.038 122.820 -0.231 0.000 1.930 264 A HA -0.075 4.245 4.320 0.000 0.000 0.217 264 A C 2.263 179.751 177.584 -0.160 0.000 1.175 264 A CA 1.457 53.402 52.037 -0.153 0.000 0.627 264 A CB -1.216 17.715 19.000 -0.114 0.000 0.815 264 A HN 0.598 nan 8.150 nan 0.000 0.443 265 G N -0.211 108.438 108.800 -0.253 0.000 2.448 265 G HA2 -0.157 3.803 3.960 0.000 0.000 0.219 265 G HA3 -0.157 3.803 3.960 0.000 0.000 0.219 265 G C 1.852 176.678 174.900 -0.123 0.000 1.127 265 G CA 1.643 46.604 45.100 -0.231 0.000 0.766 265 G HN 0.865 nan 8.290 nan 0.000 0.552 266 S N -0.072 115.574 115.700 -0.090 0.000 2.496 266 S HA 0.082 4.552 4.470 0.000 0.000 0.224 266 S C 1.819 176.383 174.600 -0.060 0.000 0.996 266 S CA 0.993 59.169 58.200 -0.039 0.000 0.927 266 S CB -0.049 63.142 63.200 -0.014 0.000 0.774 266 S HN 0.516 nan 8.310 nan 0.000 0.524 267 E N 0.861 121.020 120.200 -0.068 0.000 2.274 267 E HA -0.029 4.321 4.350 0.000 0.000 0.194 267 E C 1.899 178.475 176.600 -0.041 0.000 0.996 267 E CA 1.222 57.590 56.400 -0.053 0.000 0.840 267 E CB 0.073 29.742 29.700 -0.051 0.000 0.772 267 E HN 0.688 nan 8.360 nan 0.000 0.491 268 V N -3.047 116.841 119.914 -0.042 0.000 3.661 268 V HA 0.138 4.258 4.120 0.000 0.000 0.271 268 V C 1.998 178.078 176.094 -0.024 0.000 1.315 268 V CA 0.594 62.877 62.300 -0.029 0.000 1.072 268 V CB 0.750 32.557 31.823 -0.027 0.000 0.830 268 V HN 0.030 nan 8.190 nan 0.000 0.443 269 S N 1.380 117.064 115.700 -0.028 0.000 2.370 269 S HA -0.156 4.314 4.470 0.000 0.000 0.226 269 S C 2.130 176.723 174.600 -0.011 0.000 1.033 269 S CA 2.219 60.408 58.200 -0.018 0.000 1.011 269 S CB -0.377 62.816 63.200 -0.011 0.000 0.852 269 S HN 0.995 nan 8.310 nan 0.000 0.457 270 A N 1.256 124.068 122.820 -0.014 0.000 1.872 270 A HA 0.150 4.470 4.320 0.000 0.000 0.214 270 A C 2.122 179.702 177.584 -0.006 0.000 1.187 270 A CA 1.146 53.177 52.037 -0.010 0.000 0.614 270 A CB -0.763 18.229 19.000 -0.014 0.000 0.826 270 A HN 0.558 nan 8.150 nan 0.000 0.442 271 L N -0.597 120.621 121.223 -0.008 0.000 2.349 271 L HA -0.115 4.225 4.340 0.000 0.000 0.220 271 L C 1.951 178.821 176.870 0.001 0.000 1.130 271 L CA 0.622 55.460 54.840 -0.004 0.000 0.791 271 L CB -0.419 41.637 42.059 -0.005 0.000 0.918 271 L HN 0.353 nan 8.230 nan 0.000 0.444 272 L N -0.471 120.752 121.223 -0.000 0.000 2.591 272 L HA 0.130 4.471 4.340 0.000 0.000 0.228 272 L C 1.251 178.125 176.870 0.006 0.000 1.133 272 L CA 0.450 55.293 54.840 0.004 0.000 0.880 272 L CB -0.165 41.894 42.059 0.001 0.000 1.033 272 L HN 0.433 nan 8.230 nan 0.000 0.450 273 G N 0.926 109.729 108.800 0.004 0.000 2.203 273 G HA2 -0.247 3.713 3.960 0.000 0.000 0.231 273 G HA3 -0.247 3.713 3.960 0.000 0.000 0.231 273 G C -0.015 174.888 174.900 0.006 0.000 1.058 273 G CA -0.367 44.736 45.100 0.005 0.000 0.781 273 G HN 0.339 nan 8.290 nan 0.000 0.496 274 R N -0.772 119.731 120.500 0.004 0.000 2.532 274 R HA 0.643 4.983 4.340 0.000 0.000 0.295 274 R C 0.723 177.027 176.300 0.007 0.000 0.968 274 R CA -1.017 55.087 56.100 0.006 0.000 0.916 274 R CB 1.386 31.690 30.300 0.007 0.000 1.124 274 R HN 0.263 nan 8.270 nan 0.000 0.463 275 I N 4.993 125.569 120.570 0.010 0.000 2.581 275 I HA 0.067 4.237 4.170 0.000 0.000 0.285 275 I C -1.537 174.589 176.117 0.016 0.000 1.129 275 I CA -1.539 59.767 61.300 0.011 0.000 1.397 275 I CB 0.094 38.101 38.000 0.012 0.000 1.399 275 I HN 0.310 nan 8.210 nan 0.000 0.537 276 P HA -0.031 nan 4.420 nan 0.000 0.265 276 P C -0.136 177.186 177.300 0.036 0.000 1.187 276 P CA 0.115 63.227 63.100 0.021 0.000 0.766 276 P CB 0.990 32.693 31.700 0.005 0.000 0.820 277 S N 1.397 117.135 115.700 0.063 0.000 2.623 277 S HA 0.569 5.039 4.470 0.000 0.000 0.278 277 S C 0.131 174.789 174.600 0.096 0.000 1.148 277 S CA -0.265 57.982 58.200 0.078 0.000 1.028 277 S CB 0.125 63.382 63.200 0.095 0.000 1.145 277 S HN 0.649 nan 8.310 nan 0.000 0.523 278 A N 0.328 123.215 122.820 0.112 0.000 2.565 278 A HA 0.336 4.657 4.320 0.000 0.000 0.237 278 A C 1.054 178.739 177.584 0.168 0.000 1.053 278 A CA 0.443 52.552 52.037 0.119 0.000 0.755 278 A CB -0.828 18.241 19.000 0.115 0.000 0.980 278 A HN 1.608 nan 8.150 nan 0.000 0.506 279 V N 1.242 121.216 119.914 0.100 0.000 2.956 279 V HA -0.315 3.805 4.120 0.000 0.000 0.165 279 V C 1.741 177.777 176.094 -0.097 0.000 0.450 279 V CA 1.820 64.150 62.300 0.051 0.000 1.165 279 V CB -2.411 29.509 31.823 0.161 0.000 1.346 279 V HN 2.935 nan 8.190 nan 0.000 1.106 280 G N -2.890 105.882 108.800 -0.047 0.000 2.141 280 G HA2 -0.312 3.648 3.960 0.000 0.000 0.242 280 G HA3 -0.312 3.648 3.960 0.000 0.000 0.242 280 G C -0.254 174.571 174.900 -0.125 0.000 0.982 280 G CA 0.219 45.259 45.100 -0.101 0.000 0.662 280 G HN 0.817 nan 8.290 nan 0.000 0.527 281 Y N 1.667 121.976 120.300 0.016 0.000 2.301 281 Y HA 0.445 4.995 4.550 0.000 0.000 0.328 281 Y C 1.351 177.245 175.900 -0.009 0.000 1.242 281 Y CA -0.436 57.666 58.100 0.003 0.000 1.323 281 Y CB 0.651 39.122 38.460 0.019 0.000 1.266 281 Y HN 0.418 nan 8.280 nan 0.000 0.527 282 Q N 3.430 123.338 119.800 0.180 0.000 2.333 282 Q HA 0.001 4.341 4.340 0.000 0.000 0.299 282 Q C -2.320 173.723 176.000 0.072 0.000 1.067 282 Q CA -1.258 54.592 55.803 0.078 0.000 0.943 282 Q CB 0.508 29.264 28.738 0.029 0.000 1.233 282 Q HN 0.400 nan 8.270 nan 0.000 0.401 283 P HA -0.078 nan 4.420 nan 0.000 0.223 283 P C 0.907 178.224 177.300 0.028 0.000 1.151 283 P CA 1.430 64.554 63.100 0.039 0.000 0.787 283 P CB -0.063 31.654 31.700 0.028 0.000 0.788 284 T N -3.777 110.788 114.554 0.018 0.000 3.219 284 T HA 0.126 4.476 4.350 0.000 0.000 0.249 284 T C 1.500 176.204 174.700 0.006 0.000 1.099 284 T CA -0.250 61.858 62.100 0.013 0.000 0.988 284 T CB -1.076 67.796 68.868 0.006 0.000 0.999 284 T HN -0.024 nan 8.240 nan 0.000 0.550 285 L N 1.123 122.344 121.223 -0.002 0.000 1.997 285 L HA -0.142 4.198 4.340 0.000 0.000 0.216 285 L C 2.823 179.697 176.870 0.006 0.000 1.074 285 L CA 2.132 56.952 54.840 -0.035 0.000 0.763 285 L CB -0.736 41.270 42.059 -0.088 0.000 0.890 285 L HN 0.396 nan 8.230 nan 0.000 0.434 286 A N -1.014 121.823 122.820 0.028 0.000 1.898 286 A HA -0.199 4.121 4.320 0.000 0.000 0.216 286 A C 2.323 179.964 177.584 0.094 0.000 1.181 286 A CA 2.140 54.220 52.037 0.072 0.000 0.620 286 A CB -1.120 17.919 19.000 0.066 0.000 0.819 286 A HN 0.652 nan 8.150 nan 0.000 0.442 287 T N -2.522 112.073 114.554 0.068 0.000 2.896 287 T HA -0.081 4.270 4.350 0.000 0.000 0.263 287 T C 1.304 176.053 174.700 0.082 0.000 1.050 287 T CA 1.263 63.405 62.100 0.070 0.000 1.140 287 T CB -0.432 68.465 68.868 0.049 0.000 0.877 287 T HN 0.300 nan 8.240 nan 0.000 0.457 288 D N 1.053 121.505 120.400 0.086 0.000 2.133 288 D HA -0.074 4.566 4.640 0.000 0.000 0.195 288 D C 1.923 178.366 176.300 0.239 0.000 0.997 288 D CA 1.081 55.169 54.000 0.146 0.000 0.840 288 D CB -0.392 40.451 40.800 0.071 0.000 0.947 288 D HN 0.390 nan 8.370 nan 0.000 0.452 289 M N 0.119 119.831 119.600 0.187 0.000 2.132 289 M HA -0.050 4.430 4.480 0.000 0.000 0.263 289 M C 2.082 178.336 176.300 -0.077 0.000 1.065 289 M CA 1.885 57.267 55.300 0.137 0.000 1.122 289 M CB -0.188 32.482 32.600 0.116 0.000 1.365 289 M HN 0.056 nan 8.290 nan 0.000 0.411 290 G N 0.518 109.325 108.800 0.012 0.000 2.440 290 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 290 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 290 G C 1.392 176.278 174.900 -0.023 0.000 1.154 290 G CA 0.866 45.978 45.100 0.020 0.000 0.767 290 G HN 0.450 nan 8.290 nan 0.000 0.552 291 L N -0.420 120.809 121.223 0.010 0.000 2.131 291 L HA -0.032 4.308 4.340 0.000 0.000 0.210 291 L C 2.633 179.467 176.870 -0.060 0.000 1.092 291 L CA 0.560 55.403 54.840 0.006 0.000 0.759 291 L CB -0.282 41.809 42.059 0.054 0.000 0.903 291 L HN 0.284 nan 8.230 nan 0.000 0.435 292 L N -1.184 119.958 121.223 -0.134 0.000 2.071 292 L HA -0.102 4.238 4.340 0.000 0.000 0.201 292 L C 2.568 179.274 176.870 -0.273 0.000 1.076 292 L CA 1.583 56.254 54.840 -0.282 0.000 0.755 292 L CB -0.715 40.987 42.059 -0.595 0.000 0.915 292 L HN 0.108 nan 8.230 nan 0.000 0.445 293 Q N 0.282 119.885 119.800 -0.328 0.000 2.061 293 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 293 Q C 2.097 177.993 176.000 -0.173 0.000 0.984 293 Q CA 1.737 57.343 55.803 -0.328 0.000 0.846 293 Q CB -0.516 27.830 28.738 -0.653 0.000 0.902 293 Q HN 0.589 nan 8.270 nan 0.000 0.421 294 E N 0.394 120.528 120.200 -0.111 0.000 2.267 294 E HA -0.160 4.190 4.350 0.000 0.000 0.197 294 E C 1.921 178.499 176.600 -0.038 0.000 0.998 294 E CA 0.626 57.012 56.400 -0.023 0.000 0.830 294 E CB -0.103 29.608 29.700 0.019 0.000 0.751 294 E HN 0.335 nan 8.360 nan 0.000 0.491 295 R N 0.081 120.538 120.500 -0.072 0.000 2.153 295 R HA 0.113 4.453 4.340 0.000 0.000 0.218 295 R C 1.041 177.298 176.300 -0.072 0.000 1.072 295 R CA 0.302 56.362 56.100 -0.066 0.000 0.990 295 R CB 0.090 30.340 30.300 -0.083 0.000 0.889 295 R HN 0.083 nan 8.270 nan 0.000 0.452 296 I N 1.824 122.336 120.570 -0.097 0.000 2.278 296 I HA 0.040 4.210 4.170 0.000 0.000 0.300 296 I C 0.076 176.151 176.117 -0.071 0.000 1.174 296 I CA 0.275 61.516 61.300 -0.099 0.000 1.347 296 I CB 0.453 38.370 38.000 -0.138 0.000 1.473 296 I HN -0.014 nan 8.210 nan 0.000 0.595 297 T N 2.855 117.378 114.554 -0.052 0.000 2.769 297 T HA 0.308 4.658 4.350 0.000 0.000 0.306 297 T C -0.490 174.192 174.700 -0.030 0.000 1.400 297 T CA -0.326 61.752 62.100 -0.036 0.000 1.007 297 T CB 1.893 70.748 68.868 -0.021 0.000 1.392 297 T HN 0.282 nan 8.240 nan 0.000 0.500 298 T N 2.572 117.111 114.554 -0.025 0.000 2.882 298 T HA 0.655 5.005 4.350 0.000 0.000 0.287 298 T C 0.286 174.971 174.700 -0.025 0.000 0.992 298 T CA -0.275 61.813 62.100 -0.020 0.000 1.076 298 T CB 0.997 69.855 68.868 -0.018 0.000 0.961 298 T HN 0.881 nan 8.240 nan 0.000 0.490 299 T N -0.163 114.377 114.554 -0.024 0.000 2.724 299 T HA 0.473 4.823 4.350 0.000 0.000 0.274 299 T C 0.913 175.593 174.700 -0.033 0.000 0.984 299 T CA -0.981 61.099 62.100 -0.034 0.000 1.024 299 T CB 1.269 70.118 68.868 -0.032 0.000 1.320 299 T HN 0.378 nan 8.240 nan 0.000 0.555 300 K N -0.012 120.364 120.400 -0.040 0.000 2.439 300 K HA 0.080 4.400 4.320 0.000 0.000 0.197 300 K C 1.968 178.552 176.600 -0.027 0.000 1.041 300 K CA 0.667 56.933 56.287 -0.036 0.000 0.970 300 K CB -0.018 32.457 32.500 -0.043 0.000 0.773 300 K HN 0.455 nan 8.250 nan 0.000 0.479 301 K N -0.049 120.335 120.400 -0.026 0.000 2.186 301 K HA 0.028 4.348 4.320 0.000 0.000 0.202 301 K C 0.851 177.444 176.600 -0.012 0.000 1.052 301 K CA 0.581 56.854 56.287 -0.023 0.000 0.965 301 K CB 0.607 33.088 32.500 -0.032 0.000 0.746 301 K HN 0.171 nan 8.250 nan 0.000 0.457 302 G N -0.186 108.611 108.800 -0.006 0.000 2.506 302 G HA2 0.262 4.222 3.960 0.000 0.000 0.292 302 G HA3 0.262 4.222 3.960 0.000 0.000 0.292 302 G C -1.673 173.233 174.900 0.011 0.000 1.425 302 G CA -0.611 44.495 45.100 0.011 0.000 0.788 302 G HN -0.009 nan 8.290 nan 0.000 0.490 303 S N -1.285 114.429 115.700 0.024 0.000 2.532 303 S HA 0.804 5.274 4.470 0.000 0.000 0.301 303 S C -0.962 173.654 174.600 0.026 0.000 1.083 303 S CA -0.624 57.586 58.200 0.018 0.000 1.025 303 S CB 1.996 65.207 63.200 0.017 0.000 1.056 303 S HN 1.149 nan 8.310 nan 0.000 0.494 304 V N 3.014 122.928 119.914 -0.000 0.000 2.531 304 V HA 0.504 4.624 4.120 0.000 0.000 0.301 304 V C -0.348 175.709 176.094 -0.062 0.000 1.034 304 V CA -0.562 61.723 62.300 -0.025 0.000 0.865 304 V CB 1.923 33.724 31.823 -0.036 0.000 0.995 304 V HN 1.026 nan 8.190 nan 0.000 0.424 305 T N 3.815 118.307 114.554 -0.103 0.000 2.756 305 T HA 0.500 4.850 4.350 0.000 0.000 0.290 305 T C 0.008 174.545 174.700 -0.271 0.000 0.985 305 T CA -0.384 61.627 62.100 -0.149 0.000 0.955 305 T CB 1.039 69.831 68.868 -0.128 0.000 0.930 305 T HN 0.825 nan 8.240 nan 0.000 0.451 306 S N 2.104 117.650 115.700 -0.256 0.000 2.503 306 S HA 0.800 5.270 4.470 0.000 0.000 0.301 306 S C -0.617 173.787 174.600 -0.326 0.000 1.087 306 S CA -0.819 57.187 58.200 -0.323 0.000 1.042 306 S CB 1.594 64.655 63.200 -0.231 0.000 1.043 306 S HN 0.388 nan 8.310 nan 0.000 0.489 307 V N 2.625 122.318 119.914 -0.369 0.000 2.482 307 V HA 0.439 4.559 4.120 0.000 0.000 0.295 307 V C -0.728 175.292 176.094 -0.124 0.000 1.026 307 V CA -0.489 61.690 62.300 -0.203 0.000 0.856 307 V CB 1.327 33.125 31.823 -0.041 0.000 1.001 307 V HN 0.960 nan 8.190 nan 0.000 0.424 308 Q N 2.796 122.508 119.800 -0.146 0.000 2.316 308 Q HA 0.761 5.101 4.340 0.000 0.000 0.264 308 Q C -0.150 175.761 176.000 -0.148 0.000 0.987 308 Q CA -0.499 55.212 55.803 -0.153 0.000 0.852 308 Q CB 2.458 31.075 28.738 -0.201 0.000 1.287 308 Q HN 0.909 nan 8.270 nan 0.000 0.448 309 A N 2.405 125.171 122.820 -0.089 0.000 2.366 309 A HA 0.489 4.809 4.320 0.000 0.000 0.272 309 A C -0.484 177.021 177.584 -0.133 0.000 1.135 309 A CA -0.370 51.622 52.037 -0.075 0.000 0.804 309 A CB 0.523 19.544 19.000 0.036 0.000 1.064 309 A HN 0.516 nan 8.150 nan 0.000 0.499 310 V N 4.287 124.048 119.914 -0.254 0.000 2.305 310 V HA 0.131 4.251 4.120 0.000 0.000 0.275 310 V C -0.551 175.446 176.094 -0.161 0.000 1.020 310 V CA -0.473 61.638 62.300 -0.316 0.000 0.811 310 V CB 0.429 31.694 31.823 -0.930 0.000 1.031 310 V HN 0.826 nan 8.190 nan 0.000 0.439 311 Y N 4.888 125.113 120.300 -0.125 0.000 2.610 311 Y HA 0.299 4.850 4.550 0.000 0.000 0.332 311 Y C 0.115 175.766 175.900 -0.415 0.000 1.201 311 Y CA 0.406 58.361 58.100 -0.242 0.000 1.465 311 Y CB 0.963 39.259 38.460 -0.273 0.000 1.283 311 Y HN 0.385 nan 8.280 nan 0.000 0.563 312 V N 9.145 128.529 119.914 -0.883 0.000 2.334 312 V HA 0.296 4.416 4.120 0.000 0.000 0.281 312 V C -2.267 173.279 176.094 -0.912 0.000 1.016 312 V CA -2.116 59.800 62.300 -0.641 0.000 0.832 312 V CB 1.060 32.718 31.823 -0.275 0.000 0.999 312 V HN 0.700 nan 8.190 nan 0.000 0.439 313 P HA 0.246 nan 4.420 nan 0.000 0.271 313 P C 0.557 177.778 177.300 -0.132 0.000 1.220 313 P CA 0.413 63.368 63.100 -0.241 0.000 0.768 313 P CB 0.946 32.665 31.700 0.032 0.000 0.848 314 A N 3.587 126.368 122.820 -0.065 0.000 2.790 314 A HA -0.258 4.062 4.320 0.000 0.000 0.277 314 A C 0.764 178.312 177.584 -0.061 0.000 1.435 314 A CA 1.253 53.273 52.037 -0.027 0.000 0.877 314 A CB -2.646 16.363 19.000 0.015 0.000 1.007 314 A HN 0.601 nan 8.150 nan 0.000 0.613 315 D N -1.945 118.375 120.400 -0.133 0.000 2.945 315 D HA -0.174 4.466 4.640 0.000 0.000 0.225 315 D C -0.282 175.979 176.300 -0.064 0.000 1.158 315 D CA 2.129 56.065 54.000 -0.107 0.000 0.805 315 D CB -1.288 39.473 40.800 -0.064 0.000 1.098 315 D HN 0.991 nan 8.370 nan 0.000 0.426 316 D N 0.082 120.449 120.400 -0.056 0.000 2.473 316 D HA 0.296 4.936 4.640 0.000 0.000 0.226 316 D C 1.282 177.595 176.300 0.022 0.000 1.089 316 D CA -0.482 53.513 54.000 -0.008 0.000 0.883 316 D CB 0.283 41.093 40.800 0.016 0.000 1.029 316 D HN 0.067 nan 8.370 nan 0.000 0.517 317 L N 2.396 123.639 121.223 0.033 0.000 2.549 317 L HA -0.018 4.322 4.340 0.000 0.000 0.229 317 L C 2.144 179.077 176.870 0.106 0.000 1.158 317 L CA 1.186 56.085 54.840 0.099 0.000 0.842 317 L CB -0.332 41.770 42.059 0.071 0.000 0.952 317 L HN 0.507 nan 8.230 nan 0.000 0.452 318 T N -4.954 109.634 114.554 0.058 0.000 3.107 318 T HA -0.033 4.317 4.350 0.000 0.000 0.249 318 T C 0.757 175.511 174.700 0.090 0.000 1.096 318 T CA -0.449 61.683 62.100 0.054 0.000 1.012 318 T CB -0.250 68.631 68.868 0.021 0.000 0.977 318 T HN 0.156 nan 8.240 nan 0.000 0.527 319 D N 2.651 123.121 120.400 0.116 0.000 2.488 319 D HA 0.049 4.689 4.640 0.000 0.000 0.238 319 D C -1.533 174.849 176.300 0.136 0.000 1.138 319 D CA -1.558 52.539 54.000 0.161 0.000 0.873 319 D CB 1.662 42.574 40.800 0.187 0.000 1.183 319 D HN 0.020 nan 8.370 nan 0.000 0.458 320 P HA -0.147 nan 4.420 nan 0.000 0.217 320 P C 0.813 178.049 177.300 -0.108 0.000 1.148 320 P CA 1.722 64.798 63.100 -0.040 0.000 0.828 320 P CB 0.139 31.755 31.700 -0.140 0.000 0.783 321 A N 0.571 123.301 122.820 -0.150 0.000 1.828 321 A HA -0.116 4.204 4.320 0.000 0.000 0.215 321 A C -0.015 177.663 177.584 0.156 0.000 1.203 321 A CA 2.221 54.258 52.037 -0.001 0.000 0.614 321 A CB -2.232 16.938 19.000 0.282 0.000 0.844 321 A HN 0.194 nan 8.150 nan 0.000 0.445 322 P HA -0.165 nan 4.420 nan 0.000 0.215 322 P C 1.643 179.168 177.300 0.375 0.000 1.153 322 P CA 2.174 65.434 63.100 0.267 0.000 0.853 322 P CB -0.294 31.578 31.700 0.288 0.000 0.788 323 A N -0.121 122.918 122.820 0.366 0.000 1.948 323 A HA -0.187 4.133 4.320 0.000 0.000 0.220 323 A C 2.265 180.060 177.584 0.352 0.000 1.177 323 A CA 2.638 54.915 52.037 0.400 0.000 0.636 323 A CB -1.990 17.124 19.000 0.189 0.000 0.815 323 A HN 0.249 nan 8.150 nan 0.000 0.449 324 T N -0.738 113.948 114.554 0.221 0.000 3.055 324 T HA -0.016 4.334 4.350 0.000 0.000 0.265 324 T C 1.729 176.574 174.700 0.242 0.000 1.111 324 T CA 1.467 63.675 62.100 0.180 0.000 1.118 324 T CB -0.200 68.739 68.868 0.118 0.000 0.909 324 T HN 0.555 nan 8.240 nan 0.000 0.501 325 T N 1.605 116.309 114.554 0.252 0.000 2.942 325 T HA 0.085 4.435 4.350 0.000 0.000 0.265 325 T C 1.464 176.298 174.700 0.222 0.000 1.062 325 T CA 0.506 62.737 62.100 0.218 0.000 1.139 325 T CB -0.399 68.492 68.868 0.039 0.000 0.883 325 T HN 0.303 nan 8.240 nan 0.000 0.468 326 F N 2.240 122.351 119.950 0.270 0.000 2.063 326 F HA -0.196 4.331 4.527 0.000 0.000 0.298 326 F C 2.657 178.495 175.800 0.063 0.000 1.109 326 F CA 1.368 59.464 58.000 0.160 0.000 1.212 326 F CB -0.759 38.235 39.000 -0.009 0.000 0.973 326 F HN 0.146 nan 8.300 nan 0.000 0.480 327 A N -1.695 121.208 122.820 0.139 0.000 2.209 327 A HA -0.121 4.199 4.320 0.000 0.000 0.212 327 A C 1.527 179.044 177.584 -0.112 0.000 1.158 327 A CA 0.839 52.865 52.037 -0.019 0.000 0.742 327 A CB -0.980 17.961 19.000 -0.098 0.000 0.790 327 A HN 0.470 nan 8.150 nan 0.000 0.472 328 H N -0.815 118.303 119.070 0.081 0.000 2.556 328 H HA 0.260 4.816 4.556 0.000 0.000 0.268 328 H C -0.310 175.030 175.328 0.020 0.000 0.996 328 H CA 0.524 56.593 56.048 0.036 0.000 1.157 328 H CB -0.099 29.668 29.762 0.009 0.000 1.355 328 H HN 0.340 nan 8.280 nan 0.000 0.597 329 L N 0.418 121.713 121.223 0.119 0.000 2.365 329 L HA 0.192 4.532 4.340 0.000 0.000 0.273 329 L C 0.815 177.722 176.870 0.062 0.000 1.000 329 L CA -0.611 54.277 54.840 0.080 0.000 0.819 329 L CB 2.394 44.512 42.059 0.099 0.000 1.284 329 L HN -0.119 nan 8.230 nan 0.000 0.418 330 D N 1.763 122.180 120.400 0.029 0.000 2.234 330 D HA 0.084 4.725 4.640 0.000 0.000 0.205 330 D C 0.419 176.746 176.300 0.046 0.000 0.962 330 D CA 0.742 54.761 54.000 0.032 0.000 0.855 330 D CB 0.709 41.519 40.800 0.016 0.000 0.951 330 D HN 0.515 nan 8.370 nan 0.000 0.500 331 A N 0.523 123.358 122.820 0.024 0.000 2.455 331 A HA 0.545 4.865 4.320 0.000 0.000 0.300 331 A C -0.557 177.060 177.584 0.056 0.000 1.040 331 A CA -0.655 51.417 52.037 0.059 0.000 0.697 331 A CB 1.546 20.601 19.000 0.091 0.000 1.265 331 A HN -0.020 nan 8.150 nan 0.000 0.407 332 T N -0.050 114.584 114.554 0.133 0.000 2.809 332 T HA 0.672 5.022 4.350 0.000 0.000 0.284 332 T C -0.274 174.527 174.700 0.169 0.000 0.992 332 T CA -0.400 61.809 62.100 0.183 0.000 0.957 332 T CB 0.996 69.976 68.868 0.187 0.000 0.942 332 T HN 0.992 nan 8.240 nan 0.000 0.439 333 T N 0.348 115.004 114.554 0.170 0.000 2.758 333 T HA 0.595 4.945 4.350 0.000 0.000 0.285 333 T C -0.147 174.607 174.700 0.090 0.000 0.981 333 T CA -0.781 61.386 62.100 0.111 0.000 0.965 333 T CB 0.984 69.904 68.868 0.086 0.000 0.927 333 T HN 0.532 nan 8.240 nan 0.000 0.448 334 V N 5.214 125.165 119.914 0.062 0.000 2.370 334 V HA 0.355 4.475 4.120 0.000 0.000 0.279 334 V C 0.196 176.307 176.094 0.029 0.000 1.029 334 V CA -0.852 61.485 62.300 0.061 0.000 0.870 334 V CB 0.920 32.748 31.823 0.008 0.000 0.984 334 V HN 0.824 nan 8.190 nan 0.000 0.451 335 L N 4.079 125.322 121.223 0.032 0.000 2.326 335 L HA 0.562 4.902 4.340 0.000 0.000 0.278 335 L C 0.417 177.293 176.870 0.009 0.000 1.092 335 L CA 0.185 55.035 54.840 0.016 0.000 0.810 335 L CB 1.634 43.706 42.059 0.022 0.000 1.153 335 L HN 0.684 nan 8.230 nan 0.000 0.439 336 S N 2.193 117.889 115.700 -0.007 0.000 2.502 336 S HA 0.333 4.803 4.470 0.000 0.000 0.304 336 S C 0.669 175.250 174.600 -0.032 0.000 1.097 336 S CA -0.783 57.403 58.200 -0.022 0.000 1.045 336 S CB 1.739 64.921 63.200 -0.030 0.000 1.019 336 S HN 0.731 nan 8.310 nan 0.000 0.481 337 R N 3.215 123.698 120.500 -0.028 0.000 2.115 337 R HA 0.009 4.349 4.340 0.000 0.000 0.230 337 R C 1.953 178.232 176.300 -0.036 0.000 1.111 337 R CA 1.784 57.869 56.100 -0.024 0.000 0.976 337 R CB -0.921 29.369 30.300 -0.017 0.000 0.870 337 R HN 0.817 nan 8.270 nan 0.000 0.445 338 G N 1.014 109.790 108.800 -0.039 0.000 2.418 338 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 338 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 338 G C 1.442 176.309 174.900 -0.054 0.000 1.158 338 G CA 0.672 45.747 45.100 -0.042 0.000 0.771 338 G HN 0.255 nan 8.290 nan 0.000 0.545 339 I N 1.621 122.152 120.570 -0.064 0.000 2.353 339 I HA -0.144 4.026 4.170 0.000 0.000 0.248 339 I C 3.113 179.133 176.117 -0.163 0.000 1.119 339 I CA 1.387 62.637 61.300 -0.083 0.000 1.417 339 I CB -0.161 37.799 38.000 -0.067 0.000 1.078 339 I HN 0.361 nan 8.210 nan 0.000 0.421 340 S N 0.354 115.942 115.700 -0.186 0.000 2.406 340 S HA -0.147 4.323 4.470 0.000 0.000 0.228 340 S C 1.676 176.153 174.600 -0.205 0.000 1.020 340 S CA 0.863 58.859 58.200 -0.339 0.000 0.965 340 S CB -0.362 62.729 63.200 -0.182 0.000 0.798 340 S HN 0.469 nan 8.310 nan 0.000 0.488 341 E N 0.650 120.799 120.200 -0.085 0.000 2.418 341 E HA 0.143 4.493 4.350 0.000 0.000 0.197 341 E C 1.508 178.094 176.600 -0.022 0.000 1.026 341 E CA 0.413 56.798 56.400 -0.024 0.000 0.862 341 E CB -0.179 29.515 29.700 -0.010 0.000 0.799 341 E HN 0.548 nan 8.360 nan 0.000 0.518 342 L N -0.706 120.486 121.223 -0.052 0.000 2.558 342 L HA 0.107 4.447 4.340 0.000 0.000 0.225 342 L C 1.459 178.315 176.870 -0.023 0.000 1.128 342 L CA 0.508 55.329 54.840 -0.032 0.000 0.868 342 L CB 0.195 42.238 42.059 -0.025 0.000 1.006 342 L HN 0.318 nan 8.230 nan 0.000 0.454 343 G N 0.063 108.840 108.800 -0.038 0.000 2.176 343 G HA2 -0.217 3.743 3.960 0.000 0.000 0.232 343 G HA3 -0.217 3.743 3.960 0.000 0.000 0.232 343 G C 0.284 175.236 174.900 0.087 0.000 0.986 343 G CA -0.521 44.634 45.100 0.091 0.000 0.643 343 G HN 0.109 nan 8.290 nan 0.000 0.522 344 I N 1.696 122.195 120.570 -0.118 0.000 2.347 344 I HA 0.395 4.566 4.170 0.000 0.000 0.294 344 I C -0.109 175.778 176.117 -0.384 0.000 1.090 344 I CA -0.307 60.950 61.300 -0.070 0.000 1.314 344 I CB -0.713 37.279 38.000 -0.014 0.000 1.423 344 I HN 0.081 nan 8.210 nan 0.000 0.503 345 Y N 7.437 127.728 120.300 -0.014 0.000 2.446 345 Y HA 0.439 4.989 4.550 0.000 0.000 0.345 345 Y C -2.072 173.670 175.900 -0.262 0.000 0.984 345 Y CA -2.695 55.327 58.100 -0.131 0.000 1.058 345 Y CB 1.800 40.158 38.460 -0.171 0.000 1.220 345 Y HN 0.409 nan 8.280 nan 0.000 0.455 346 P HA 0.108 nan 4.420 nan 0.000 0.275 346 P C -0.364 176.977 177.300 0.069 0.000 1.228 346 P CA -0.214 62.895 63.100 0.015 0.000 0.786 346 P CB 1.184 32.969 31.700 0.143 0.000 0.927 347 A N 3.449 126.306 122.820 0.062 0.000 2.604 347 A HA 0.168 4.489 4.320 0.000 0.000 0.248 347 A C 0.601 178.194 177.584 0.015 0.000 1.466 347 A CA -0.224 51.784 52.037 -0.048 0.000 1.222 347 A CB -1.257 17.681 19.000 -0.104 0.000 0.945 347 A HN 0.385 nan 8.150 nan 0.000 0.600 348 V N 1.282 121.235 119.914 0.065 0.000 2.585 348 V HA -0.002 4.118 4.120 0.000 0.000 0.296 348 V C 0.509 176.621 176.094 0.030 0.000 1.035 348 V CA -0.250 62.087 62.300 0.062 0.000 1.084 348 V CB 0.926 32.822 31.823 0.122 0.000 0.953 348 V HN 0.561 nan 8.190 nan 0.000 0.483 349 D N 8.062 128.471 120.400 0.015 0.000 2.338 349 D HA 0.151 4.791 4.640 0.000 0.000 0.255 349 D C -1.315 174.987 176.300 0.004 0.000 1.237 349 D CA -1.800 52.200 54.000 0.001 0.000 0.883 349 D CB 1.812 42.604 40.800 -0.013 0.000 1.087 349 D HN 0.303 nan 8.370 nan 0.000 0.485 350 P HA -0.037 nan 4.420 nan 0.000 0.230 350 P C 1.159 178.448 177.300 -0.017 0.000 1.158 350 P CA 0.519 63.615 63.100 -0.006 0.000 0.769 350 P CB 0.488 32.186 31.700 -0.003 0.000 0.807 351 L N -1.478 119.733 121.223 -0.021 0.000 2.731 351 L HA 0.255 4.595 4.340 0.000 0.000 0.240 351 L C 1.606 178.450 176.870 -0.043 0.000 1.120 351 L CA 0.345 55.166 54.840 -0.032 0.000 0.913 351 L CB -0.002 42.036 42.059 -0.033 0.000 1.213 351 L HN -0.172 nan 8.230 nan 0.000 0.515 352 D N -0.782 119.593 120.400 -0.040 0.000 2.407 352 D HA 0.075 4.715 4.640 0.000 0.000 0.208 352 D C 0.391 176.669 176.300 -0.037 0.000 1.083 352 D CA 0.271 54.235 54.000 -0.059 0.000 0.844 352 D CB 0.629 41.387 40.800 -0.070 0.000 0.967 352 D HN -0.052 nan 8.370 nan 0.000 0.506 353 S N 0.729 116.427 115.700 -0.004 0.000 2.525 353 S HA 0.461 4.931 4.470 0.000 0.000 0.278 353 S C -0.037 174.586 174.600 0.039 0.000 1.234 353 S CA -0.514 57.706 58.200 0.033 0.000 1.058 353 S CB 1.658 64.892 63.200 0.057 0.000 0.983 353 S HN -0.009 nan 8.310 nan 0.000 0.495 354 K N 1.031 121.471 120.400 0.066 0.000 2.480 354 K HA 0.704 5.025 4.320 0.000 0.000 0.258 354 K C -0.955 175.702 176.600 0.095 0.000 0.990 354 K CA -0.772 55.550 56.287 0.060 0.000 0.857 354 K CB 2.102 34.623 32.500 0.035 0.000 1.384 354 K HN 0.527 nan 8.250 nan 0.000 0.446 355 S N 0.107 115.855 115.700 0.081 0.000 2.584 355 S HA 0.237 4.707 4.470 0.000 0.000 0.280 355 S C 0.199 174.841 174.600 0.071 0.000 1.162 355 S CA -0.603 57.655 58.200 0.096 0.000 0.951 355 S CB 1.277 64.555 63.200 0.130 0.000 1.108 355 S HN 0.647 nan 8.310 nan 0.000 0.464 356 R N 2.609 123.147 120.500 0.064 0.000 2.159 356 R HA -0.007 4.334 4.340 0.000 0.000 0.237 356 R C 1.350 177.677 176.300 0.045 0.000 1.131 356 R CA 1.433 57.561 56.100 0.048 0.000 0.982 356 R CB -0.328 29.996 30.300 0.041 0.000 0.868 356 R HN 0.645 nan 8.270 nan 0.000 0.453 357 L N 0.445 121.702 121.223 0.056 0.000 2.554 357 L HA -0.019 4.321 4.340 0.000 0.000 0.226 357 L C 0.746 177.634 176.870 0.031 0.000 1.137 357 L CA -0.177 54.691 54.840 0.046 0.000 0.863 357 L CB -0.069 42.029 42.059 0.065 0.000 0.985 357 L HN 0.104 nan 8.230 nan 0.000 0.451 358 L N 1.546 122.793 121.223 0.040 0.000 2.388 358 L HA 0.115 4.455 4.340 0.000 0.000 0.252 358 L C -0.416 176.530 176.870 0.128 0.000 1.357 358 L CA 0.647 55.517 54.840 0.051 0.000 1.214 358 L CB -0.862 41.224 42.059 0.044 0.000 1.392 358 L HN 0.008 nan 8.230 nan 0.000 0.432 359 D N 1.100 121.521 120.400 0.036 0.000 2.780 359 D HA 0.426 5.066 4.640 0.000 0.000 0.242 359 D C 0.739 176.949 176.300 -0.149 0.000 1.135 359 D CA 0.069 54.017 54.000 -0.086 0.000 0.859 359 D CB 2.235 42.995 40.800 -0.065 0.000 1.530 359 D HN 0.219 nan 8.370 nan 0.000 0.493 360 A N 2.882 125.480 122.820 -0.369 0.000 2.019 360 A HA 0.032 4.352 4.320 0.000 0.000 0.219 360 A C 1.937 179.452 177.584 -0.115 0.000 1.164 360 A CA 1.957 53.849 52.037 -0.242 0.000 0.644 360 A CB -0.556 18.236 19.000 -0.346 0.000 0.805 360 A HN 0.618 nan 8.150 nan 0.000 0.449 361 A N -0.801 121.950 122.820 -0.114 0.000 2.067 361 A HA 0.116 4.436 4.320 0.000 0.000 0.219 361 A C 2.036 179.602 177.584 -0.029 0.000 1.158 361 A CA 1.744 53.744 52.037 -0.061 0.000 0.661 361 A CB -0.391 18.574 19.000 -0.059 0.000 0.801 361 A HN 0.393 nan 8.150 nan 0.000 0.452 362 V N -0.839 119.060 119.914 -0.026 0.000 2.672 362 V HA -0.053 4.067 4.120 0.000 0.000 0.242 362 V C 2.102 178.213 176.094 0.028 0.000 1.059 362 V CA 1.528 63.830 62.300 0.003 0.000 1.081 362 V CB 0.280 32.107 31.823 0.007 0.000 0.752 362 V HN 0.529 nan 8.190 nan 0.000 0.472 363 V N -2.172 117.757 119.914 0.025 0.000 3.528 363 V HA 0.774 4.894 4.120 0.000 0.000 0.294 363 V C 0.784 176.951 176.094 0.122 0.000 1.404 363 V CA 0.100 62.454 62.300 0.090 0.000 1.065 363 V CB -0.484 31.331 31.823 -0.013 0.000 0.904 363 V HN 0.797 nan 8.190 nan 0.000 0.435 364 G N 0.526 109.365 108.800 0.065 0.000 2.712 364 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 364 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 364 G C 0.030 174.985 174.900 0.092 0.000 1.321 364 G CA 0.190 45.332 45.100 0.070 0.000 0.813 364 G HN 0.186 nan 8.290 nan 0.000 0.599 365 Q N 0.008 119.854 119.800 0.075 0.000 2.096 365 Q HA -0.120 4.221 4.340 0.000 0.000 0.204 365 Q C 2.425 178.523 176.000 0.165 0.000 0.982 365 Q CA 2.185 58.051 55.803 0.107 0.000 0.850 365 Q CB -0.187 28.594 28.738 0.071 0.000 0.901 365 Q HN 0.868 nan 8.270 nan 0.000 0.422 366 E N -0.086 120.200 120.200 0.143 0.000 2.038 366 E HA -0.237 4.113 4.350 0.000 0.000 0.195 366 E C 2.016 178.737 176.600 0.201 0.000 1.000 366 E CA 1.149 57.637 56.400 0.147 0.000 0.803 366 E CB -0.186 29.585 29.700 0.118 0.000 0.750 366 E HN 0.540 nan 8.360 nan 0.000 0.448 367 H N -1.429 117.698 119.070 0.095 0.000 2.353 367 H HA -0.207 4.349 4.556 0.000 0.000 0.300 367 H C 2.160 177.541 175.328 0.088 0.000 1.090 367 H CA 1.507 57.603 56.048 0.080 0.000 1.327 367 H CB -0.114 29.691 29.762 0.072 0.000 1.383 367 H HN 0.288 nan 8.280 nan 0.000 0.508 368 Y N 1.635 121.934 120.300 -0.002 0.000 2.181 368 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 368 Y C 1.874 177.776 175.900 0.003 0.000 1.146 368 Y CA 1.982 60.040 58.100 -0.071 0.000 1.164 368 Y CB -0.234 38.187 38.460 -0.065 0.000 0.982 368 Y HN 0.311 nan 8.280 nan 0.000 0.515 369 D N -0.846 119.628 120.400 0.123 0.000 2.149 369 D HA -0.150 4.490 4.640 0.000 0.000 0.201 369 D C 2.382 178.685 176.300 0.004 0.000 0.972 369 D CA 1.403 55.434 54.000 0.051 0.000 0.835 369 D CB -0.343 40.525 40.800 0.113 0.000 0.966 369 D HN 0.282 nan 8.370 nan 0.000 0.476 370 V N 1.255 121.205 119.914 0.061 0.000 2.307 370 V HA -0.223 3.897 4.120 0.000 0.000 0.245 370 V C 2.508 178.607 176.094 0.007 0.000 1.045 370 V CA 1.797 64.140 62.300 0.072 0.000 1.024 370 V CB -0.860 31.043 31.823 0.132 0.000 0.651 370 V HN 0.183 nan 8.190 nan 0.000 0.449 371 A N -0.250 122.556 122.820 -0.024 0.000 1.883 371 A HA -0.251 4.069 4.320 0.000 0.000 0.217 371 A C 2.493 179.974 177.584 -0.171 0.000 1.186 371 A CA 2.463 54.434 52.037 -0.110 0.000 0.624 371 A CB -0.867 18.048 19.000 -0.142 0.000 0.822 371 A HN 0.509 nan 8.150 nan 0.000 0.444 372 S N -0.363 115.171 115.700 -0.276 0.000 2.359 372 S HA -0.192 4.279 4.470 0.000 0.000 0.224 372 S C 1.983 176.515 174.600 -0.112 0.000 1.035 372 S CA 1.810 59.860 58.200 -0.250 0.000 1.018 372 S CB -0.265 62.745 63.200 -0.316 0.000 0.876 372 S HN 0.631 nan 8.310 nan 0.000 0.448 373 K N 0.477 120.838 120.400 -0.064 0.000 2.155 373 K HA 0.018 4.338 4.320 0.000 0.000 0.203 373 K C 2.038 178.644 176.600 0.009 0.000 1.052 373 K CA 0.777 57.058 56.287 -0.010 0.000 0.948 373 K CB -0.252 32.260 32.500 0.021 0.000 0.728 373 K HN 0.155 nan 8.250 nan 0.000 0.448 374 V N 1.775 121.692 119.914 0.006 0.000 2.295 374 V HA -0.294 3.826 4.120 0.000 0.000 0.246 374 V C 2.206 178.302 176.094 0.002 0.000 1.049 374 V CA 1.765 64.078 62.300 0.022 0.000 1.024 374 V CB -0.450 31.354 31.823 -0.033 0.000 0.648 374 V HN 0.368 nan 8.190 nan 0.000 0.447 375 Q N -0.562 119.217 119.800 -0.034 0.000 2.124 375 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 375 Q C 2.300 178.292 176.000 -0.013 0.000 0.977 375 Q CA 1.778 57.562 55.803 -0.032 0.000 0.850 375 Q CB -0.170 28.531 28.738 -0.062 0.000 0.901 375 Q HN 0.696 nan 8.270 nan 0.000 0.429 376 E N -0.276 119.916 120.200 -0.014 0.000 2.051 376 E HA -0.153 4.198 4.350 0.000 0.000 0.192 376 E C 2.023 178.635 176.600 0.019 0.000 0.991 376 E CA 1.536 57.935 56.400 -0.001 0.000 0.799 376 E CB 0.066 29.765 29.700 -0.002 0.000 0.748 376 E HN 0.291 nan 8.360 nan 0.000 0.449 377 T N 1.444 116.015 114.554 0.028 0.000 2.708 377 T HA -0.134 4.216 4.350 0.000 0.000 0.266 377 T C 1.940 176.683 174.700 0.071 0.000 1.037 377 T CA 0.883 63.008 62.100 0.042 0.000 1.146 377 T CB -0.205 68.687 68.868 0.040 0.000 0.865 377 T HN 0.084 nan 8.240 nan 0.000 0.435 378 L N 0.803 122.069 121.223 0.072 0.000 2.093 378 L HA -0.109 4.231 4.340 0.000 0.000 0.208 378 L C 2.848 179.771 176.870 0.088 0.000 1.085 378 L CA 1.045 55.949 54.840 0.107 0.000 0.755 378 L CB -0.458 41.648 42.059 0.077 0.000 0.904 378 L HN 0.221 nan 8.230 nan 0.000 0.435 379 Q N -0.059 119.767 119.800 0.043 0.000 2.119 379 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 379 Q C 2.025 178.045 176.000 0.034 0.000 0.972 379 Q CA 2.240 58.054 55.803 0.019 0.000 0.847 379 Q CB -0.334 28.405 28.738 0.001 0.000 0.903 379 Q HN 0.360 nan 8.270 nan 0.000 0.433 380 T N 0.010 114.599 114.554 0.058 0.000 2.708 380 T HA -0.155 4.195 4.350 0.000 0.000 0.266 380 T C 1.251 176.023 174.700 0.120 0.000 1.037 380 T CA 1.341 63.481 62.100 0.067 0.000 1.146 380 T CB -0.630 68.273 68.868 0.058 0.000 0.865 380 T HN 0.375 nan 8.240 nan 0.000 0.435 381 Y N 2.265 122.560 120.300 -0.008 0.000 2.165 381 Y HA -0.095 4.455 4.550 0.000 0.000 0.286 381 Y C 2.371 178.265 175.900 -0.010 0.000 1.155 381 Y CA 1.141 59.236 58.100 -0.008 0.000 1.164 381 Y CB -0.439 38.017 38.460 -0.007 0.000 0.978 381 Y HN 0.070 nan 8.280 nan 0.000 0.513 382 K N -0.640 119.718 120.400 -0.070 0.000 2.026 382 K HA -0.136 4.184 4.320 0.000 0.000 0.208 382 K C 2.210 178.741 176.600 -0.115 0.000 1.048 382 K CA 1.556 57.738 56.287 -0.175 0.000 0.929 382 K CB -0.248 32.190 32.500 -0.104 0.000 0.713 382 K HN 0.226 nan 8.250 nan 0.000 0.439 383 S N 0.928 116.599 115.700 -0.048 0.000 2.465 383 S HA -0.075 4.395 4.470 0.000 0.000 0.241 383 S C 1.454 176.039 174.600 -0.026 0.000 1.000 383 S CA 0.874 59.055 58.200 -0.032 0.000 0.964 383 S CB -0.051 63.143 63.200 -0.010 0.000 0.763 383 S HN 0.281 nan 8.310 nan 0.000 0.512 384 L N 0.705 121.917 121.223 -0.018 0.000 2.640 384 L HA 0.142 4.482 4.340 0.000 0.000 0.230 384 L C 2.028 178.884 176.870 -0.024 0.000 1.123 384 L CA -0.114 54.729 54.840 0.006 0.000 0.900 384 L CB -0.141 41.959 42.059 0.069 0.000 1.146 384 L HN 0.084 nan 8.230 nan 0.000 0.484 385 Q N 0.787 120.524 119.800 -0.104 0.000 2.047 385 Q HA -0.261 4.079 4.340 0.000 0.000 0.211 385 Q C 1.487 177.451 176.000 -0.059 0.000 1.005 385 Q CA 2.000 57.726 55.803 -0.129 0.000 0.866 385 Q CB -0.377 28.256 28.738 -0.175 0.000 0.938 385 Q HN 0.480 nan 8.270 nan 0.000 0.414 386 D N 0.215 120.587 120.400 -0.047 0.000 2.106 386 D HA -0.138 4.502 4.640 0.000 0.000 0.191 386 D C 2.165 178.458 176.300 -0.013 0.000 0.997 386 D CA 1.007 54.990 54.000 -0.028 0.000 0.834 386 D CB -0.430 40.355 40.800 -0.026 0.000 0.956 386 D HN 0.277 nan 8.370 nan 0.000 0.448 387 I N 0.831 121.398 120.570 -0.006 0.000 2.208 387 I HA -0.250 3.921 4.170 0.000 0.000 0.245 387 I C 2.245 178.370 176.117 0.013 0.000 1.097 387 I CA 0.603 61.906 61.300 0.005 0.000 1.363 387 I CB -0.171 37.835 38.000 0.010 0.000 1.051 387 I HN -0.003 nan 8.210 nan 0.000 0.413 388 I N 1.102 121.685 120.570 0.021 0.000 2.179 388 I HA -0.252 3.919 4.170 0.000 0.000 0.242 388 I C 2.846 178.978 176.117 0.025 0.000 1.088 388 I CA 1.796 63.120 61.300 0.039 0.000 1.357 388 I CB -1.698 36.352 38.000 0.083 0.000 1.051 388 I HN 0.188 nan 8.210 nan 0.000 0.409 389 A N 1.008 123.834 122.820 0.009 0.000 1.933 389 A HA -0.134 4.186 4.320 0.000 0.000 0.218 389 A C 2.241 179.828 177.584 0.004 0.000 1.175 389 A CA 1.200 53.239 52.037 0.004 0.000 0.628 389 A CB -0.433 18.562 19.000 -0.009 0.000 0.814 389 A HN 0.272 nan 8.150 nan 0.000 0.444 390 I N -0.491 120.080 120.570 0.002 0.000 2.130 390 I HA -0.132 4.038 4.170 0.000 0.000 0.234 390 I C 2.400 178.521 176.117 0.006 0.000 1.067 390 I CA 1.301 62.603 61.300 0.003 0.000 1.339 390 I CB -1.448 36.552 38.000 0.000 0.000 1.073 390 I HN 0.249 nan 8.210 nan 0.000 0.405 391 L N -0.275 120.952 121.223 0.008 0.000 2.307 391 L HA 0.255 4.595 4.340 0.000 0.000 0.211 391 L C 1.146 178.023 176.870 0.012 0.000 1.099 391 L CA 0.516 55.362 54.840 0.009 0.000 0.816 391 L CB -0.439 41.625 42.059 0.009 0.000 0.952 391 L HN 0.547 nan 8.230 nan 0.000 0.455 392 G N -0.707 108.104 108.800 0.018 0.000 2.728 392 G HA2 -0.244 3.716 3.960 0.000 0.000 0.294 392 G HA3 -0.244 3.716 3.960 0.000 0.000 0.294 392 G C 0.261 175.175 174.900 0.024 0.000 1.342 392 G CA -0.229 44.884 45.100 0.022 0.000 0.866 392 G HN -0.135 nan 8.290 nan 0.000 0.534 393 M N 0.091 119.705 119.600 0.023 0.000 2.279 393 M HA -0.031 4.449 4.480 0.000 0.000 0.264 393 M C 1.959 178.266 176.300 0.013 0.000 1.062 393 M CA 1.942 57.253 55.300 0.019 0.000 1.099 393 M CB -1.138 31.469 32.600 0.011 0.000 1.394 393 M HN 0.610 nan 8.290 nan 0.000 0.426 394 D N 0.570 120.976 120.400 0.010 0.000 2.182 394 D HA -0.147 4.493 4.640 0.000 0.000 0.201 394 D C 1.700 178.004 176.300 0.007 0.000 0.986 394 D CA 1.030 55.034 54.000 0.007 0.000 0.847 394 D CB -0.035 40.769 40.800 0.006 0.000 0.942 394 D HN 0.347 nan 8.370 nan 0.000 0.467 395 E N 0.129 120.335 120.200 0.010 0.000 2.435 395 E HA 0.069 4.419 4.350 0.000 0.000 0.195 395 E C 0.929 177.535 176.600 0.011 0.000 1.029 395 E CA -0.116 56.289 56.400 0.009 0.000 0.865 395 E CB 0.221 29.927 29.700 0.009 0.000 0.833 395 E HN 0.364 nan 8.360 nan 0.000 0.510 396 L N 1.714 122.945 121.223 0.013 0.000 2.473 396 L HA 0.007 4.347 4.340 0.000 0.000 0.268 396 L C 1.206 178.081 176.870 0.009 0.000 1.215 396 L CA -0.231 54.617 54.840 0.014 0.000 0.823 396 L CB 0.224 42.294 42.059 0.017 0.000 1.099 396 L HN -0.013 nan 8.230 nan 0.000 0.483 397 S N 0.460 116.166 115.700 0.009 0.000 2.617 397 S HA 0.097 4.567 4.470 0.000 0.000 0.259 397 S C 0.866 175.468 174.600 0.004 0.000 1.301 397 S CA -0.669 57.535 58.200 0.006 0.000 0.984 397 S CB 0.976 64.180 63.200 0.006 0.000 0.954 397 S HN 0.588 nan 8.310 nan 0.000 0.572 398 E N 0.755 120.956 120.200 0.002 0.000 2.077 398 E HA -0.150 4.200 4.350 0.000 0.000 0.193 398 E C 2.224 178.823 176.600 -0.001 0.000 0.989 398 E CA 1.391 57.791 56.400 -0.000 0.000 0.800 398 E CB -0.613 29.087 29.700 -0.001 0.000 0.746 398 E HN 0.736 nan 8.360 nan 0.000 0.452 399 Q N 0.501 120.301 119.800 0.001 0.000 2.045 399 Q HA -0.185 4.155 4.340 0.000 0.000 0.206 399 Q C 1.818 177.819 176.000 0.001 0.000 0.991 399 Q CA 1.568 57.372 55.803 0.002 0.000 0.851 399 Q CB -0.076 28.665 28.738 0.005 0.000 0.911 399 Q HN 0.251 nan 8.270 nan 0.000 0.418 400 D N 0.145 120.548 120.400 0.005 0.000 2.144 400 D HA -0.111 4.529 4.640 0.000 0.000 0.200 400 D C 1.628 177.928 176.300 -0.001 0.000 0.978 400 D CA 0.900 54.905 54.000 0.010 0.000 0.833 400 D CB -0.081 40.731 40.800 0.020 0.000 0.961 400 D HN 0.146 nan 8.370 nan 0.000 0.470 401 K N 0.167 120.564 120.400 -0.005 0.000 2.097 401 K HA -0.134 4.186 4.320 0.000 0.000 0.206 401 K C 2.072 178.652 176.600 -0.033 0.000 1.049 401 K CA 0.487 56.764 56.287 -0.017 0.000 0.933 401 K CB -0.073 32.421 32.500 -0.011 0.000 0.717 401 K HN -0.018 nan 8.250 nan 0.000 0.442 402 L N 0.829 122.037 121.223 -0.026 0.000 2.005 402 L HA -0.147 4.193 4.340 0.000 0.000 0.207 402 L C 2.079 178.922 176.870 -0.045 0.000 1.072 402 L CA 1.931 56.753 54.840 -0.031 0.000 0.744 402 L CB -0.809 41.239 42.059 -0.018 0.000 0.895 402 L HN 0.130 nan 8.230 nan 0.000 0.433 403 T N -1.292 113.243 114.554 -0.032 0.000 2.759 403 T HA -0.174 4.177 4.350 0.000 0.000 0.269 403 T C 1.951 176.606 174.700 -0.076 0.000 1.042 403 T CA 1.614 63.695 62.100 -0.032 0.000 1.140 403 T CB -0.331 68.535 68.868 -0.002 0.000 0.864 403 T HN 0.173 nan 8.240 nan 0.000 0.455 404 V N 1.145 121.000 119.914 -0.098 0.000 2.323 404 V HA -0.131 3.989 4.120 0.000 0.000 0.244 404 V C 2.478 178.377 176.094 -0.324 0.000 1.041 404 V CA 1.607 63.764 62.300 -0.239 0.000 1.025 404 V CB -0.519 31.209 31.823 -0.158 0.000 0.656 404 V HN 0.509 nan 8.190 nan 0.000 0.451 405 E N -0.207 119.877 120.200 -0.194 0.000 2.058 405 E HA -0.275 4.075 4.350 0.000 0.000 0.194 405 E C 2.453 178.939 176.600 -0.190 0.000 0.997 405 E CA 1.472 57.768 56.400 -0.173 0.000 0.801 405 E CB -0.197 29.443 29.700 -0.100 0.000 0.746 405 E HN 0.383 nan 8.360 nan 0.000 0.450 406 R N 0.036 120.443 120.500 -0.155 0.000 2.120 406 R HA -0.096 4.244 4.340 0.000 0.000 0.234 406 R C 2.144 178.343 176.300 -0.169 0.000 1.123 406 R CA 1.089 57.098 56.100 -0.153 0.000 0.975 406 R CB -0.082 30.169 30.300 -0.082 0.000 0.866 406 R HN 0.132 nan 8.270 nan 0.000 0.446 407 A N 0.437 123.147 122.820 -0.182 0.000 1.968 407 A HA -0.091 4.229 4.320 0.000 0.000 0.217 407 A C 1.979 179.448 177.584 -0.192 0.000 1.169 407 A CA 0.880 52.827 52.037 -0.149 0.000 0.638 407 A CB -0.206 18.708 19.000 -0.144 0.000 0.812 407 A HN 0.258 nan 8.150 nan 0.000 0.446 408 R N -0.226 120.075 120.500 -0.332 0.000 2.115 408 R HA -0.047 4.293 4.340 0.000 0.000 0.226 408 R C 2.031 178.239 176.300 -0.154 0.000 1.100 408 R CA 1.430 57.388 56.100 -0.238 0.000 0.980 408 R CB -0.161 29.977 30.300 -0.270 0.000 0.875 408 R HN 0.490 nan 8.270 nan 0.000 0.445 409 K N 0.621 120.856 120.400 -0.275 0.000 1.984 409 K HA -0.061 4.259 4.320 0.000 0.000 0.209 409 K C 2.032 178.435 176.600 -0.328 0.000 1.046 409 K CA 1.238 57.204 56.287 -0.534 0.000 0.934 409 K CB -0.160 31.720 32.500 -1.034 0.000 0.717 409 K HN 0.044 nan 8.250 nan 0.000 0.438 410 I N 1.552 122.032 120.570 -0.150 0.000 2.194 410 I HA -0.380 3.790 4.170 0.000 0.000 0.246 410 I C 2.824 179.098 176.117 0.261 0.000 1.093 410 I CA 1.432 62.837 61.300 0.175 0.000 1.355 410 I CB -0.217 37.904 38.000 0.202 0.000 1.046 410 I HN 0.317 nan 8.210 nan 0.000 0.413 411 Q N 0.750 120.637 119.800 0.144 0.000 2.084 411 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 411 Q C 2.346 178.463 176.000 0.196 0.000 0.978 411 Q CA 1.632 57.532 55.803 0.160 0.000 0.844 411 Q CB 0.049 28.873 28.738 0.143 0.000 0.898 411 Q HN 0.421 nan 8.270 nan 0.000 0.426 412 R N -0.853 119.767 120.500 0.201 0.000 2.115 412 R HA -0.067 4.273 4.340 0.000 0.000 0.226 412 R C 1.883 178.410 176.300 0.377 0.000 1.100 412 R CA 0.842 57.122 56.100 0.299 0.000 0.980 412 R CB -0.136 30.343 30.300 0.299 0.000 0.875 412 R HN 0.217 nan 8.270 nan 0.000 0.445 413 F N 0.865 120.921 119.950 0.177 0.000 2.699 413 F HA 0.046 4.573 4.527 0.000 0.000 0.298 413 F C 1.252 177.245 175.800 0.321 0.000 1.154 413 F CA 0.732 58.845 58.000 0.189 0.000 1.457 413 F CB 0.074 39.070 39.000 -0.006 0.000 1.106 413 F HN -0.054 nan 8.300 nan 0.000 0.585 414 L N -0.735 120.691 121.223 0.339 0.000 2.529 414 L HA 0.071 4.411 4.340 0.000 0.000 0.223 414 L C 1.278 178.208 176.870 0.099 0.000 1.113 414 L CA 0.164 55.120 54.840 0.193 0.000 0.861 414 L CB -0.517 41.627 42.059 0.142 0.000 1.012 414 L HN 0.021 nan 8.230 nan 0.000 0.461 415 S N -0.251 115.508 115.700 0.099 0.000 2.592 415 S HA 0.363 4.833 4.470 0.000 0.000 0.271 415 S C -0.356 174.219 174.600 -0.040 0.000 1.326 415 S CA -0.466 57.735 58.200 0.002 0.000 1.024 415 S CB 1.930 65.105 63.200 -0.042 0.000 0.921 415 S HN 0.254 nan 8.310 nan 0.000 0.527 416 Q N 0.844 120.586 119.800 -0.097 0.000 2.295 416 Q HA 0.395 4.735 4.340 0.000 0.000 0.268 416 Q C -3.089 172.868 176.000 -0.071 0.000 1.010 416 Q CA -2.162 53.619 55.803 -0.038 0.000 0.856 416 Q CB 2.294 31.087 28.738 0.092 0.000 1.349 416 Q HN 0.463 nan 8.270 nan 0.000 0.412 417 P HA 0.157 nan 4.420 nan 0.000 0.271 417 P C -1.071 176.382 177.300 0.254 0.000 1.226 417 P CA 0.095 63.221 63.100 0.043 0.000 0.765 417 P CB 0.169 31.882 31.700 0.021 0.000 0.835 418 F N 1.582 121.516 119.950 -0.028 0.000 2.399 418 F HA 0.439 4.966 4.527 0.000 0.000 0.328 418 F C 1.683 177.466 175.800 -0.029 0.000 1.084 418 F CA -1.468 56.507 58.000 -0.041 0.000 1.053 418 F CB 0.593 39.568 39.000 -0.042 0.000 1.209 418 F HN 0.339 nan 8.300 nan 0.000 0.502 419 A N 2.125 125.003 122.820 0.096 0.000 1.898 419 A HA -0.053 4.267 4.320 0.000 0.000 0.216 419 A C 1.982 179.595 177.584 0.048 0.000 1.181 419 A CA 1.735 53.791 52.037 0.032 0.000 0.620 419 A CB -0.877 18.102 19.000 -0.034 0.000 0.819 419 A HN 0.523 nan 8.150 nan 0.000 0.442 420 V N -0.581 119.372 119.914 0.064 0.000 2.809 420 V HA -0.064 4.056 4.120 0.000 0.000 0.256 420 V C 2.387 178.571 176.094 0.150 0.000 1.080 420 V CA 1.491 63.840 62.300 0.081 0.000 1.102 420 V CB -0.796 31.070 31.823 0.071 0.000 0.705 420 V HN 0.569 nan 8.190 nan 0.000 0.475 421 A N -0.735 122.208 122.820 0.205 0.000 2.379 421 A HA 0.135 4.455 4.320 0.000 0.000 0.236 421 A C 1.897 179.575 177.584 0.157 0.000 1.272 421 A CA 0.252 52.447 52.037 0.264 0.000 0.886 421 A CB -0.364 18.753 19.000 0.195 0.000 0.962 421 A HN 0.519 nan 8.150 nan 0.000 0.504 422 E N -0.068 120.169 120.200 0.060 0.000 2.130 422 E HA -0.194 4.156 4.350 0.000 0.000 0.196 422 E C 1.500 178.051 176.600 -0.082 0.000 0.998 422 E CA 1.816 58.215 56.400 -0.002 0.000 0.806 422 E CB -0.101 29.588 29.700 -0.017 0.000 0.738 422 E HN 0.452 nan 8.360 nan 0.000 0.459 423 V N -0.085 119.695 119.914 -0.224 0.000 2.626 423 V HA -0.176 3.944 4.120 0.000 0.000 0.252 423 V C 1.568 177.379 176.094 -0.472 0.000 1.067 423 V CA 1.359 63.404 62.300 -0.425 0.000 1.081 423 V CB -0.526 30.871 31.823 -0.710 0.000 0.686 423 V HN 0.239 nan 8.190 nan 0.000 0.468 424 F N 0.947 120.874 119.950 -0.037 0.000 2.582 424 F HA 0.037 4.564 4.527 0.000 0.000 0.290 424 F C 2.578 178.353 175.800 -0.042 0.000 1.115 424 F CA 1.124 59.091 58.000 -0.055 0.000 1.445 424 F CB -0.901 38.027 39.000 -0.120 0.000 1.126 424 F HN 0.218 nan 8.300 nan 0.000 0.574 425 T N -3.572 111.048 114.554 0.110 0.000 3.009 425 T HA 0.317 4.667 4.350 0.000 0.000 0.258 425 T C 2.015 176.749 174.700 0.057 0.000 1.063 425 T CA 0.774 62.918 62.100 0.075 0.000 1.139 425 T CB -0.298 68.592 68.868 0.036 0.000 0.890 425 T HN 0.396 nan 8.240 nan 0.000 0.471 426 G N 1.641 110.454 108.800 0.022 0.000 2.184 426 G HA2 -0.205 3.755 3.960 0.000 0.000 0.264 426 G HA3 -0.205 3.755 3.960 0.000 0.000 0.264 426 G C 0.005 174.912 174.900 0.012 0.000 0.975 426 G CA 0.362 45.468 45.100 0.010 0.000 0.642 426 G HN 0.716 nan 8.290 nan 0.000 0.536 427 I N 0.567 121.146 120.570 0.015 0.000 2.509 427 I HA 0.407 4.577 4.170 0.000 0.000 0.293 427 I C -2.215 173.907 176.117 0.009 0.000 1.020 427 I CA -2.804 58.503 61.300 0.012 0.000 1.088 427 I CB 2.053 40.060 38.000 0.011 0.000 1.267 427 I HN -0.227 nan 8.210 nan 0.000 0.430 428 P HA -0.013 nan 4.420 nan 0.000 0.264 428 P C 0.161 177.470 177.300 0.016 0.000 1.179 428 P CA 0.075 63.178 63.100 0.005 0.000 0.763 428 P CB 0.341 32.042 31.700 0.000 0.000 0.806 429 G N 2.926 111.740 108.800 0.023 0.000 2.527 429 G HA2 0.300 4.261 3.960 0.000 0.000 0.248 429 G HA3 0.300 4.261 3.960 0.000 0.000 0.248 429 G C -0.520 174.396 174.900 0.027 0.000 1.231 429 G CA -0.386 44.741 45.100 0.045 0.000 0.838 429 G HN 0.295 nan 8.290 nan 0.000 0.570 430 K N 0.678 121.106 120.400 0.045 0.000 2.371 430 K HA 0.407 4.727 4.320 0.000 0.000 0.251 430 K C -1.281 175.324 176.600 0.008 0.000 0.934 430 K CA -0.732 55.569 56.287 0.023 0.000 0.798 430 K CB 2.850 35.367 32.500 0.029 0.000 1.204 430 K HN 0.380 nan 8.250 nan 0.000 0.427 431 L N 2.656 123.867 121.223 -0.020 0.000 2.316 431 L HA 0.384 4.724 4.340 0.000 0.000 0.280 431 L C -1.189 175.663 176.870 -0.029 0.000 1.006 431 L CA -0.836 53.978 54.840 -0.045 0.000 0.836 431 L CB 1.398 43.419 42.059 -0.064 0.000 1.221 431 L HN 0.245 nan 8.230 nan 0.000 0.418 432 V N 5.164 125.062 119.914 -0.027 0.000 2.427 432 V HA 0.483 4.603 4.120 0.000 0.000 0.286 432 V C 0.341 176.417 176.094 -0.030 0.000 1.034 432 V CA -0.708 61.580 62.300 -0.021 0.000 0.893 432 V CB 1.565 33.377 31.823 -0.019 0.000 0.982 432 V HN 0.728 nan 8.190 nan 0.000 0.452 433 R N 2.287 122.773 120.500 -0.023 0.000 2.539 433 R HA 0.267 4.607 4.340 0.000 0.000 0.275 433 R C 1.259 177.538 176.300 -0.035 0.000 1.077 433 R CA -0.463 55.621 56.100 -0.026 0.000 1.097 433 R CB 0.849 31.139 30.300 -0.017 0.000 1.018 433 R HN 0.708 nan 8.270 nan 0.000 0.483 434 L N 3.330 124.526 121.223 -0.046 0.000 2.013 434 L HA -0.273 4.067 4.340 0.000 0.000 0.212 434 L C 1.900 178.716 176.870 -0.090 0.000 1.073 434 L CA 1.920 56.713 54.840 -0.079 0.000 0.753 434 L CB -0.095 41.923 42.059 -0.069 0.000 0.890 434 L HN 0.582 nan 8.230 nan 0.000 0.432 435 K N -0.669 119.700 120.400 -0.051 0.000 2.097 435 K HA -0.230 4.090 4.320 0.000 0.000 0.206 435 K C 1.771 178.364 176.600 -0.010 0.000 1.049 435 K CA 1.734 58.001 56.287 -0.033 0.000 0.933 435 K CB -0.262 32.232 32.500 -0.009 0.000 0.717 435 K HN 0.399 nan 8.250 nan 0.000 0.442 436 D N 0.046 120.445 120.400 -0.002 0.000 2.097 436 D HA -0.112 4.528 4.640 0.000 0.000 0.195 436 D C 1.631 177.957 176.300 0.044 0.000 0.989 436 D CA 1.413 55.426 54.000 0.022 0.000 0.827 436 D CB 0.081 40.889 40.800 0.015 0.000 0.966 436 D HN 0.042 nan 8.370 nan 0.000 0.456 437 T N -0.576 113.991 114.554 0.021 0.000 2.684 437 T HA -0.141 4.210 4.350 0.000 0.000 0.267 437 T C 2.086 176.868 174.700 0.137 0.000 1.036 437 T CA 1.208 63.348 62.100 0.068 0.000 1.148 437 T CB -0.440 68.416 68.868 -0.020 0.000 0.863 437 T HN -0.019 nan 8.240 nan 0.000 0.436 438 V N 1.626 121.542 119.914 0.002 0.000 2.295 438 V HA -0.168 3.952 4.120 0.000 0.000 0.246 438 V C 2.886 179.046 176.094 0.111 0.000 1.049 438 V CA 1.763 64.063 62.300 -0.000 0.000 1.024 438 V CB -1.198 30.550 31.823 -0.125 0.000 0.648 438 V HN 0.543 nan 8.190 nan 0.000 0.447 439 A N -0.514 122.361 122.820 0.093 0.000 1.898 439 A HA -0.179 4.142 4.320 0.000 0.000 0.216 439 A C 2.479 180.155 177.584 0.153 0.000 1.181 439 A CA 2.086 54.190 52.037 0.111 0.000 0.620 439 A CB -0.668 18.381 19.000 0.082 0.000 0.819 439 A HN 0.504 nan 8.150 nan 0.000 0.442 440 S N -0.566 115.234 115.700 0.167 0.000 2.353 440 S HA -0.145 4.326 4.470 0.000 0.000 0.222 440 S C 1.622 176.346 174.600 0.206 0.000 1.035 440 S CA 1.710 60.020 58.200 0.183 0.000 1.025 440 S CB -0.583 62.763 63.200 0.243 0.000 0.902 440 S HN 0.544 nan 8.310 nan 0.000 0.440 441 F N 1.741 121.831 119.950 0.234 0.000 2.234 441 F HA 0.006 4.533 4.527 0.000 0.000 0.299 441 F C 2.299 178.194 175.800 0.159 0.000 1.087 441 F CA 1.004 59.135 58.000 0.218 0.000 1.340 441 F CB -0.290 38.782 39.000 0.119 0.000 1.031 441 F HN 0.100 nan 8.300 nan 0.000 0.500 442 K N 0.598 121.173 120.400 0.291 0.000 2.020 442 K HA -0.227 4.093 4.320 0.000 0.000 0.212 442 K C 2.289 178.997 176.600 0.181 0.000 1.050 442 K CA 1.489 57.895 56.287 0.199 0.000 0.929 442 K CB -0.373 32.220 32.500 0.155 0.000 0.714 442 K HN 0.197 nan 8.250 nan 0.000 0.443 443 A N 0.442 123.380 122.820 0.197 0.000 1.933 443 A HA -0.111 4.210 4.320 0.000 0.000 0.218 443 A C 2.232 179.975 177.584 0.264 0.000 1.175 443 A CA 1.700 53.876 52.037 0.233 0.000 0.628 443 A CB -0.593 18.611 19.000 0.340 0.000 0.814 443 A HN 0.197 nan 8.150 nan 0.000 0.444 444 V N 0.060 120.118 119.914 0.240 0.000 2.407 444 V HA -0.241 3.879 4.120 0.000 0.000 0.248 444 V C 2.509 178.686 176.094 0.138 0.000 1.055 444 V CA 1.799 64.218 62.300 0.198 0.000 1.049 444 V CB -0.744 31.116 31.823 0.061 0.000 0.662 444 V HN 0.569 nan 8.190 nan 0.000 0.455 445 L N -0.294 121.017 121.223 0.147 0.000 2.131 445 L HA -0.184 4.156 4.340 0.000 0.000 0.210 445 L C 2.356 179.275 176.870 0.082 0.000 1.092 445 L CA 1.522 56.429 54.840 0.112 0.000 0.759 445 L CB -0.456 41.678 42.059 0.125 0.000 0.903 445 L HN 0.399 nan 8.230 nan 0.000 0.435 446 E N -0.320 119.933 120.200 0.089 0.000 2.511 446 E HA 0.004 4.354 4.350 0.000 0.000 0.196 446 E C 1.183 177.803 176.600 0.033 0.000 1.066 446 E CA 0.437 56.871 56.400 0.057 0.000 0.871 446 E CB 0.099 29.833 29.700 0.057 0.000 0.863 446 E HN 0.529 nan 8.360 nan 0.000 0.520 447 G N 1.870 110.697 108.800 0.046 0.000 2.160 447 G HA2 -0.344 3.616 3.960 0.000 0.000 0.244 447 G HA3 -0.344 3.616 3.960 0.000 0.000 0.244 447 G C 0.664 175.550 174.900 -0.024 0.000 1.022 447 G CA 0.515 45.628 45.100 0.021 0.000 0.741 447 G HN 0.254 nan 8.290 nan 0.000 0.508 448 K N -1.166 119.199 120.400 -0.058 0.000 2.459 448 K HA 0.213 4.533 4.320 0.000 0.000 0.193 448 K C 0.525 176.777 176.600 -0.581 0.000 1.030 448 K CA 0.662 56.761 56.287 -0.314 0.000 1.026 448 K CB 0.168 32.423 32.500 -0.407 0.000 0.809 448 K HN 0.570 nan 8.250 nan 0.000 0.504 449 Y N -0.513 119.805 120.300 0.030 0.000 2.696 449 Y HA 0.132 4.682 4.550 0.000 0.000 0.255 449 Y C 0.335 176.289 175.900 0.090 0.000 1.103 449 Y CA -0.644 57.493 58.100 0.062 0.000 1.126 449 Y CB 0.554 39.078 38.460 0.106 0.000 1.197 449 Y HN -0.049 nan 8.280 nan 0.000 0.574 450 D N 0.374 120.837 120.400 0.105 0.000 2.269 450 D HA -0.122 4.518 4.640 0.000 0.000 0.208 450 D C 1.580 177.919 176.300 0.065 0.000 0.963 450 D CA 1.049 55.089 54.000 0.067 0.000 0.864 450 D CB -0.004 40.806 40.800 0.017 0.000 0.936 450 D HN 0.470 nan 8.370 nan 0.000 0.505 451 N N 0.425 119.161 118.700 0.060 0.000 2.398 451 N HA -0.061 4.679 4.740 0.000 0.000 0.188 451 N C 0.482 176.037 175.510 0.075 0.000 1.122 451 N CA 0.010 53.088 53.050 0.047 0.000 0.866 451 N CB 0.222 38.718 38.487 0.016 0.000 0.970 451 N HN 0.173 nan 8.380 nan 0.000 0.462 452 I N 1.983 122.635 120.570 0.136 0.000 2.371 452 I HA 0.226 4.396 4.170 0.000 0.000 0.290 452 I C -2.068 174.164 176.117 0.191 0.000 1.028 452 I CA -2.139 59.242 61.300 0.136 0.000 1.345 452 I CB 1.213 39.279 38.000 0.110 0.000 1.407 452 I HN -0.195 nan 8.210 nan 0.000 0.501 453 P HA 0.047 nan 4.420 nan 0.000 0.269 453 P C 0.270 177.714 177.300 0.239 0.000 1.209 453 P CA -0.113 63.071 63.100 0.139 0.000 0.776 453 P CB 0.575 32.330 31.700 0.092 0.000 0.876 454 E N 0.639 120.968 120.200 0.216 0.000 2.070 454 E HA -0.298 4.052 4.350 0.000 0.000 0.197 454 E C 1.728 178.517 176.600 0.315 0.000 1.004 454 E CA 1.111 57.663 56.400 0.253 0.000 0.805 454 E CB -0.405 29.363 29.700 0.114 0.000 0.744 454 E HN 0.616 nan 8.360 nan 0.000 0.451 455 H N 0.126 119.280 119.070 0.140 0.000 2.457 455 H HA -0.090 4.466 4.556 0.000 0.000 0.297 455 H C 1.916 177.336 175.328 0.154 0.000 1.092 455 H CA 1.288 57.413 56.048 0.128 0.000 1.309 455 H CB 0.181 29.981 29.762 0.063 0.000 1.382 455 H HN 0.182 nan 8.280 nan 0.000 0.535 456 A N 0.128 123.017 122.820 0.114 0.000 2.015 456 A HA -0.109 4.211 4.320 0.000 0.000 0.219 456 A C 1.951 179.394 177.584 -0.235 0.000 1.163 456 A CA 0.783 52.761 52.037 -0.099 0.000 0.646 456 A CB -0.876 17.981 19.000 -0.238 0.000 0.806 456 A HN 0.330 nan 8.150 nan 0.000 0.448 457 F N -2.129 117.776 119.950 -0.075 0.000 2.661 457 F HA 0.078 4.605 4.527 0.000 0.000 0.298 457 F C 0.850 176.702 175.800 0.088 0.000 1.137 457 F CA 0.213 58.160 58.000 -0.089 0.000 1.454 457 F CB -0.331 38.598 39.000 -0.119 0.000 1.103 457 F HN 0.311 nan 8.300 nan 0.000 0.577 458 Y N 1.138 121.470 120.300 0.053 0.000 2.393 458 Y HA 0.351 4.901 4.550 0.000 0.000 0.338 458 Y C 0.608 176.494 175.900 -0.023 0.000 1.029 458 Y CA -1.711 56.382 58.100 -0.011 0.000 1.239 458 Y CB 0.378 38.722 38.460 -0.193 0.000 1.170 458 Y HN 0.131 nan 8.280 nan 0.000 0.515 459 M N 5.104 124.406 119.600 -0.497 0.000 2.347 459 M HA -0.154 4.326 4.480 0.000 0.000 0.198 459 M C -1.671 174.528 176.300 -0.169 0.000 0.549 459 M CA 1.217 56.230 55.300 -0.480 0.000 0.481 459 M CB -1.468 30.651 32.600 -0.801 0.000 1.393 459 M HN 0.524 nan 8.290 nan 0.000 0.905 460 V N -2.939 116.946 119.914 -0.048 0.000 3.076 460 V HA 1.111 5.231 4.120 0.000 0.000 0.311 460 V C 0.762 176.890 176.094 0.057 0.000 1.346 460 V CA -0.273 62.033 62.300 0.010 0.000 1.056 460 V CB 1.267 33.095 31.823 0.009 0.000 1.093 460 V HN 0.481 nan 8.190 nan 0.000 0.468 461 G N -0.372 108.465 108.800 0.060 0.000 3.311 461 G HA2 0.578 4.538 3.960 0.000 0.000 0.169 461 G HA3 0.578 4.538 3.960 0.000 0.000 0.169 461 G C 0.507 175.474 174.900 0.113 0.000 1.852 461 G CA -0.047 45.087 45.100 0.056 0.000 1.010 461 G HN 1.429 nan 8.290 nan 0.000 0.530 462 G N -1.100 107.758 108.800 0.096 0.000 2.535 462 G HA2 0.344 4.304 3.960 0.000 0.000 0.282 462 G HA3 0.344 4.304 3.960 0.000 0.000 0.282 462 G C 0.937 175.969 174.900 0.221 0.000 1.350 462 G CA -0.073 45.127 45.100 0.166 0.000 1.039 462 G HN 0.394 nan 8.290 nan 0.000 0.509 463 I N -0.605 120.066 120.570 0.168 0.000 2.315 463 I HA -0.161 4.009 4.170 0.000 0.000 0.251 463 I C 2.486 178.467 176.117 -0.225 0.000 1.125 463 I CA 1.670 62.864 61.300 -0.178 0.000 1.392 463 I CB -0.244 37.605 38.000 -0.253 0.000 1.065 463 I HN 0.733 nan 8.210 nan 0.000 0.424 464 E N 0.470 120.617 120.200 -0.089 0.000 2.033 464 E HA -0.275 4.075 4.350 0.000 0.000 0.199 464 E C 1.859 178.403 176.600 -0.093 0.000 1.011 464 E CA 2.086 58.444 56.400 -0.071 0.000 0.815 464 E CB -0.162 29.523 29.700 -0.026 0.000 0.755 464 E HN 0.503 nan 8.360 nan 0.000 0.451 465 D N -0.612 119.746 120.400 -0.070 0.000 2.123 465 D HA -0.150 4.491 4.640 0.000 0.000 0.196 465 D C 1.982 178.195 176.300 -0.146 0.000 0.992 465 D CA 0.983 54.941 54.000 -0.071 0.000 0.833 465 D CB -0.369 40.418 40.800 -0.021 0.000 0.954 465 D HN 0.067 nan 8.370 nan 0.000 0.455 466 V N 0.542 120.299 119.914 -0.261 0.000 2.231 466 V HA -0.261 3.859 4.120 0.000 0.000 0.248 466 V C 2.653 178.523 176.094 -0.372 0.000 1.054 466 V CA 1.383 63.395 62.300 -0.480 0.000 1.015 466 V CB -0.641 30.620 31.823 -0.936 0.000 0.638 466 V HN 0.080 nan 8.190 nan 0.000 0.444 467 V N 0.230 119.961 119.914 -0.304 0.000 2.324 467 V HA -0.307 3.813 4.120 0.000 0.000 0.250 467 V C 2.654 178.683 176.094 -0.108 0.000 1.060 467 V CA 2.201 64.402 62.300 -0.164 0.000 1.042 467 V CB -1.229 30.546 31.823 -0.080 0.000 0.650 467 V HN 0.590 nan 8.190 nan 0.000 0.450 468 A N -0.669 122.092 122.820 -0.098 0.000 1.930 468 A HA -0.220 4.100 4.320 0.000 0.000 0.217 468 A C 2.356 179.906 177.584 -0.057 0.000 1.175 468 A CA 1.949 53.949 52.037 -0.061 0.000 0.627 468 A CB -0.426 18.545 19.000 -0.048 0.000 0.815 468 A HN 0.506 nan 8.150 nan 0.000 0.443 469 K N -0.401 119.951 120.400 -0.081 0.000 2.155 469 K HA 0.008 4.328 4.320 0.000 0.000 0.203 469 K C 2.099 178.671 176.600 -0.047 0.000 1.052 469 K CA 0.914 57.169 56.287 -0.054 0.000 0.948 469 K CB -0.239 32.222 32.500 -0.065 0.000 0.728 469 K HN 0.385 nan 8.250 nan 0.000 0.448 470 A N 1.280 124.047 122.820 -0.088 0.000 1.930 470 A HA -0.171 4.149 4.320 0.000 0.000 0.217 470 A C 1.769 179.335 177.584 -0.030 0.000 1.175 470 A CA 1.455 53.454 52.037 -0.064 0.000 0.627 470 A CB -0.327 18.615 19.000 -0.096 0.000 0.815 470 A HN 0.393 nan 8.150 nan 0.000 0.443 471 E N -0.444 119.737 120.200 -0.031 0.000 2.072 471 E HA -0.165 4.185 4.350 0.000 0.000 0.191 471 E C 2.051 178.646 176.600 -0.009 0.000 0.985 471 E CA 1.160 57.549 56.400 -0.017 0.000 0.801 471 E CB -0.115 29.575 29.700 -0.018 0.000 0.750 471 E HN 0.568 nan 8.360 nan 0.000 0.452 472 K N 0.635 121.030 120.400 -0.008 0.000 2.057 472 K HA -0.102 4.218 4.320 0.000 0.000 0.207 472 K C 2.060 178.663 176.600 0.007 0.000 1.049 472 K CA 0.861 57.149 56.287 0.001 0.000 0.931 472 K CB -0.005 32.499 32.500 0.007 0.000 0.714 472 K HN 0.078 nan 8.250 nan 0.000 0.440 473 L N 0.501 121.730 121.223 0.011 0.000 2.291 473 L HA -0.036 4.304 4.340 0.000 0.000 0.214 473 L C 1.220 178.091 176.870 0.003 0.000 1.120 473 L CA -0.099 54.749 54.840 0.012 0.000 0.799 473 L CB -0.356 41.718 42.059 0.025 0.000 0.925 473 L HN 0.148 nan 8.230 nan 0.000 0.446 474 A N 0.000 122.820 122.820 0.001 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 474 A CB 0.000 18.998 19.000 -0.002 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486