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 3oee_1_F DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.706 174.700 0.011 0.000 1.109 7 T CA 0.000 62.105 62.100 0.009 0.000 1.349 7 T CB 0.000 68.872 68.868 0.007 0.000 0.612 8 P HA 0.696 nan 4.420 nan 0.000 0.297 8 P C -0.630 176.689 177.300 0.032 0.000 1.303 8 P CA -0.802 62.312 63.100 0.022 0.000 0.753 8 P CB 0.797 32.515 31.700 0.030 0.000 1.281 9 I N 0.142 120.740 120.570 0.045 0.000 2.382 9 I HA 0.260 4.438 4.170 0.013 0.000 0.285 9 I C 0.056 176.297 176.117 0.206 0.000 1.007 9 I CA -0.355 60.989 61.300 0.073 0.000 1.142 9 I CB 1.633 39.616 38.000 -0.027 0.000 1.289 9 I HN 0.391 nan 8.210 nan 0.000 0.453 10 T N 1.887 116.579 114.554 0.231 0.000 2.856 10 T HA 0.867 5.225 4.350 0.013 0.000 0.283 10 T C -0.102 174.659 174.700 0.102 0.000 1.008 10 T CA -0.798 61.419 62.100 0.195 0.000 0.997 10 T CB 2.157 71.066 68.868 0.068 0.000 0.992 10 T HN 0.657 nan 8.240 nan 0.000 0.454 11 G N 1.250 109.851 108.800 -0.332 0.000 3.015 11 G HA2 0.720 4.688 3.960 0.013 0.000 0.281 11 G HA3 0.720 4.688 3.960 0.013 0.000 0.281 11 G C -1.478 173.179 174.900 -0.405 0.000 1.386 11 G CA -1.213 43.460 45.100 -0.711 0.000 0.959 11 G HN 0.783 nan 8.290 nan 0.000 0.522 12 K N -0.605 119.608 120.400 -0.311 0.000 2.267 12 K HA 0.581 4.909 4.320 0.013 0.000 0.246 12 K C -0.774 175.732 176.600 -0.157 0.000 0.954 12 K CA -0.786 55.400 56.287 -0.169 0.000 0.824 12 K CB 2.839 35.289 32.500 -0.084 0.000 1.167 12 K HN 0.194 nan 8.250 nan 0.000 0.431 13 V N 2.561 122.412 119.914 -0.106 0.000 2.521 13 V HA -0.031 4.097 4.120 0.013 0.000 0.286 13 V C 1.175 177.237 176.094 -0.053 0.000 1.034 13 V CA 0.482 62.737 62.300 -0.075 0.000 1.045 13 V CB 0.775 32.567 31.823 -0.053 0.000 0.974 13 V HN 1.075 nan 8.190 nan 0.000 0.480 14 T N 1.630 116.160 114.554 -0.040 0.000 3.042 14 T HA 0.504 4.862 4.350 0.013 0.000 0.245 14 T C 0.489 175.174 174.700 -0.025 0.000 1.029 14 T CA 0.513 62.593 62.100 -0.033 0.000 1.120 14 T CB 0.484 69.340 68.868 -0.021 0.000 0.917 14 T HN 0.890 nan 8.240 nan 0.000 0.467 15 A N 0.609 123.418 122.820 -0.018 0.000 2.486 15 A HA 0.714 5.042 4.320 0.013 0.000 0.300 15 A C -1.493 176.085 177.584 -0.010 0.000 1.048 15 A CA -0.705 51.325 52.037 -0.013 0.000 0.696 15 A CB 2.031 21.027 19.000 -0.007 0.000 1.278 15 A HN 0.247 nan 8.150 nan 0.000 0.405 16 V N 2.509 122.417 119.914 -0.009 0.000 2.447 16 V HA 0.462 4.590 4.120 0.013 0.000 0.292 16 V C -1.205 174.886 176.094 -0.006 0.000 1.021 16 V CA -0.024 62.272 62.300 -0.007 0.000 0.850 16 V CB 0.986 32.804 31.823 -0.009 0.000 1.005 16 V HN 0.657 nan 8.190 nan 0.000 0.426 17 I N 4.819 125.386 120.570 -0.004 0.000 2.495 17 I HA 0.735 4.913 4.170 0.013 0.000 0.277 17 I C 0.914 177.029 176.117 -0.004 0.000 1.045 17 I CA 0.480 61.777 61.300 -0.004 0.000 1.135 17 I CB 1.268 39.266 38.000 -0.003 0.000 1.241 17 I HN 0.790 nan 8.210 nan 0.000 0.469 18 G N 4.594 113.392 108.800 -0.005 0.000 2.565 18 G HA2 -0.315 3.653 3.960 0.013 0.000 0.295 18 G HA3 -0.315 3.653 3.960 0.013 0.000 0.295 18 G C 0.955 175.852 174.900 -0.004 0.000 1.165 18 G CA 0.544 45.641 45.100 -0.006 0.000 0.977 18 G HN 0.889 nan 8.290 nan 0.000 0.546 19 A N -0.579 122.238 122.820 -0.005 0.000 2.208 19 A HA 0.535 4.863 4.320 0.013 0.000 0.209 19 A C 0.944 178.529 177.584 0.002 0.000 1.161 19 A CA 1.190 53.226 52.037 -0.002 0.000 0.782 19 A CB -0.046 18.951 19.000 -0.006 0.000 0.816 19 A HN 0.641 nan 8.150 nan 0.000 0.477 20 I N 0.966 121.537 120.570 0.001 0.000 2.336 20 I HA 0.360 4.538 4.170 0.013 0.000 0.292 20 I C -0.544 175.576 176.117 0.005 0.000 0.991 20 I CA -1.133 60.171 61.300 0.006 0.000 1.227 20 I CB 1.196 39.199 38.000 0.005 0.000 1.366 20 I HN -0.122 nan 8.210 nan 0.000 0.466 21 V N 5.722 125.642 119.914 0.009 0.000 2.540 21 V HA 0.420 4.548 4.120 0.013 0.000 0.302 21 V C -0.622 175.478 176.094 0.011 0.000 1.035 21 V CA -0.837 61.466 62.300 0.006 0.000 0.873 21 V CB 2.290 34.114 31.823 0.003 0.000 0.992 21 V HN 0.540 nan 8.190 nan 0.000 0.428 22 D N 2.760 123.163 120.400 0.005 0.000 2.168 22 D HA 0.638 5.286 4.640 0.013 0.000 0.246 22 D C -0.658 175.638 176.300 -0.007 0.000 1.050 22 D CA 0.003 54.009 54.000 0.011 0.000 0.857 22 D CB 2.134 42.942 40.800 0.013 0.000 1.169 22 D HN 0.277 nan 8.370 nan 0.000 0.453 23 V N 2.326 122.236 119.914 -0.007 0.000 2.577 23 V HA 0.220 4.348 4.120 0.013 0.000 0.303 23 V C -0.546 175.494 176.094 -0.090 0.000 1.042 23 V CA -0.857 61.387 62.300 -0.094 0.000 0.872 23 V CB 1.799 33.539 31.823 -0.139 0.000 0.998 23 V HN 0.541 nan 8.190 nan 0.000 0.423 24 H N 3.775 122.700 119.070 -0.241 0.000 2.467 24 H HA 0.681 5.245 4.556 0.013 0.000 0.331 24 H C -1.422 173.682 175.328 -0.373 0.000 1.120 24 H CA -0.343 55.600 56.048 -0.176 0.000 1.270 24 H CB 1.011 30.707 29.762 -0.110 0.000 1.466 24 H HN 0.453 nan 8.280 nan 0.000 0.504 25 F N 2.640 122.196 119.950 -0.658 0.000 2.508 25 F HA 0.184 4.719 4.527 0.013 0.000 0.325 25 F C 1.199 176.710 175.800 -0.481 0.000 1.090 25 F CA -0.694 57.061 58.000 -0.409 0.000 0.945 25 F CB 1.889 40.732 39.000 -0.262 0.000 1.156 25 F HN 0.590 nan 8.300 nan 0.000 0.463 26 E N 0.798 120.999 120.200 0.001 0.000 2.299 26 E HA -0.040 4.318 4.350 0.013 0.000 0.193 26 E C 0.224 176.849 176.600 0.042 0.000 0.998 26 E CA 0.606 57.037 56.400 0.051 0.000 0.851 26 E CB 0.167 29.914 29.700 0.078 0.000 0.795 26 E HN 0.657 nan 8.360 nan 0.000 0.492 27 Q N -1.103 118.722 119.800 0.042 0.000 2.180 27 Q HA 0.327 4.675 4.340 0.013 0.000 0.241 27 Q C 1.038 177.031 176.000 -0.011 0.000 0.970 27 Q CA -0.217 55.596 55.803 0.017 0.000 0.919 27 Q CB 1.040 29.787 28.738 0.015 0.000 1.222 27 Q HN -0.163 nan 8.270 nan 0.000 0.482 28 S N 0.202 115.895 115.700 -0.013 0.000 2.359 28 S HA -0.125 4.352 4.470 0.013 0.000 0.224 28 S C 0.764 175.335 174.600 -0.047 0.000 1.035 28 S CA 1.560 59.748 58.200 -0.020 0.000 1.018 28 S CB -0.583 62.610 63.200 -0.011 0.000 0.876 28 S HN 0.702 nan 8.310 nan 0.000 0.448 29 E N 0.659 120.823 120.200 -0.061 0.000 2.376 29 E HA 0.444 4.802 4.350 0.013 0.000 0.266 29 E C -0.853 175.624 176.600 -0.206 0.000 1.009 29 E CA 0.078 56.416 56.400 -0.102 0.000 0.902 29 E CB 0.133 29.780 29.700 -0.089 0.000 0.972 29 E HN 0.301 nan 8.360 nan 0.000 0.439 30 L N 3.533 124.609 121.223 -0.245 0.000 2.401 30 L HA 0.516 4.864 4.340 0.013 0.000 0.266 30 L C -2.170 174.475 176.870 -0.375 0.000 0.991 30 L CA -1.737 52.840 54.840 -0.439 0.000 0.818 30 L CB 2.354 44.207 42.059 -0.344 0.000 1.321 30 L HN 0.558 nan 8.230 nan 0.000 0.413 31 P HA 0.202 nan 4.420 nan 0.000 0.268 31 P C -0.675 176.595 177.300 -0.050 0.000 1.204 31 P CA -0.381 62.551 63.100 -0.281 0.000 0.768 31 P CB 0.788 32.303 31.700 -0.308 0.000 0.842 32 A N 4.224 127.041 122.820 -0.006 0.000 2.466 32 A HA 0.152 4.480 4.320 0.013 0.000 0.238 32 A C 0.691 178.310 177.584 0.057 0.000 1.074 32 A CA -0.410 51.654 52.037 0.045 0.000 0.774 32 A CB -0.439 18.553 19.000 -0.014 0.000 1.015 32 A HN 0.583 nan 8.150 nan 0.000 0.498 33 I N 1.335 121.925 120.570 0.034 0.000 2.683 33 I HA -0.036 4.142 4.170 0.013 0.000 0.286 33 I C 0.711 176.787 176.117 -0.069 0.000 1.175 33 I CA 0.822 62.118 61.300 -0.006 0.000 1.429 33 I CB 0.139 38.099 38.000 -0.067 0.000 1.371 33 I HN 0.736 nan 8.210 nan 0.000 0.569 34 L N 2.580 123.749 121.223 -0.090 0.000 4.586 34 L HA -0.237 4.111 4.340 0.013 0.000 0.401 34 L C 0.031 176.865 176.870 -0.059 0.000 0.854 34 L CA -0.014 54.721 54.840 -0.175 0.000 1.918 34 L CB -1.544 40.312 42.059 -0.340 0.000 1.631 34 L HN 0.676 nan 8.230 nan 0.000 0.579 35 N N 1.140 119.829 118.700 -0.018 0.000 2.508 35 N HA 0.505 5.253 4.740 0.013 0.000 0.264 35 N C 0.296 175.823 175.510 0.029 0.000 1.216 35 N CA 0.816 53.870 53.050 0.007 0.000 0.943 35 N CB 0.970 39.455 38.487 -0.005 0.000 1.113 35 N HN 0.287 nan 8.380 nan 0.000 0.447 36 A N 2.451 125.293 122.820 0.038 0.000 2.320 36 A HA 0.514 4.842 4.320 0.013 0.000 0.287 36 A C -0.164 177.448 177.584 0.047 0.000 1.181 36 A CA -0.426 51.639 52.037 0.046 0.000 0.831 36 A CB -0.126 18.900 19.000 0.044 0.000 1.102 36 A HN 0.623 nan 8.150 nan 0.000 0.513 37 L N 1.485 122.743 121.223 0.058 0.000 2.331 37 L HA 0.676 5.024 4.340 0.013 0.000 0.268 37 L C 0.151 177.053 176.870 0.054 0.000 1.015 37 L CA -0.631 54.253 54.840 0.073 0.000 0.807 37 L CB 1.545 43.672 42.059 0.113 0.000 1.293 37 L HN 0.709 nan 8.230 nan 0.000 0.451 38 E N 0.957 121.188 120.200 0.051 0.000 2.272 38 E HA 0.569 4.927 4.350 0.013 0.000 0.269 38 E C -1.457 175.157 176.600 0.023 0.000 0.877 38 E CA -0.454 55.965 56.400 0.033 0.000 0.755 38 E CB 2.862 32.578 29.700 0.028 0.000 1.192 38 E HN 0.365 nan 8.360 nan 0.000 0.422 39 I N 2.959 123.537 120.570 0.014 0.000 2.389 39 I HA 0.280 4.458 4.170 0.013 0.000 0.288 39 I C -0.371 175.748 176.117 0.004 0.000 0.999 39 I CA -0.797 60.505 61.300 0.004 0.000 1.129 39 I CB 1.380 39.378 38.000 -0.003 0.000 1.288 39 I HN 0.206 nan 8.210 nan 0.000 0.444 40 K N 4.943 125.344 120.400 0.002 0.000 2.379 40 K HA 0.280 4.608 4.320 0.013 0.000 0.284 40 K C 0.359 176.959 176.600 -0.001 0.000 1.044 40 K CA -0.105 56.183 56.287 0.002 0.000 0.974 40 K CB 0.806 33.307 32.500 0.002 0.000 0.962 40 K HN 0.719 nan 8.250 nan 0.000 0.474 41 T N -0.947 113.607 114.554 -0.000 0.000 2.804 41 T HA 0.391 4.749 4.350 0.013 0.000 0.272 41 T C -1.479 173.220 174.700 -0.001 0.000 0.986 41 T CA -1.401 60.698 62.100 -0.002 0.000 0.999 41 T CB 0.894 69.762 68.868 -0.001 0.000 1.307 41 T HN 0.271 nan 8.240 nan 0.000 0.586 42 P HA 0.029 nan 4.420 nan 0.000 0.217 42 P C 1.038 178.338 177.300 -0.001 0.000 1.151 42 P CA 1.149 64.248 63.100 -0.002 0.000 0.828 42 P CB 0.172 31.870 31.700 -0.002 0.000 0.788 43 Q N -0.532 119.268 119.800 -0.000 0.000 2.263 43 Q HA 0.336 4.684 4.340 0.013 0.000 0.196 43 Q C 1.501 177.501 176.000 0.001 0.000 0.965 43 Q CA 1.257 57.060 55.803 0.000 0.000 0.851 43 Q CB -0.457 28.281 28.738 0.000 0.000 0.948 43 Q HN 0.259 nan 8.270 nan 0.000 0.516 44 G N -0.574 108.227 108.800 0.002 0.000 3.085 44 G HA2 0.554 4.522 3.960 0.013 0.000 0.264 44 G HA3 0.554 4.522 3.960 0.013 0.000 0.264 44 G C -1.336 173.566 174.900 0.003 0.000 1.206 44 G CA -0.754 44.347 45.100 0.003 0.000 0.809 44 G HN -0.091 nan 8.290 nan 0.000 0.592 45 K N -0.032 120.371 120.400 0.005 0.000 2.206 45 K HA 0.507 4.835 4.320 0.013 0.000 0.264 45 K C -1.177 175.428 176.600 0.009 0.000 0.967 45 K CA -0.594 55.697 56.287 0.007 0.000 0.844 45 K CB 2.081 34.586 32.500 0.009 0.000 1.099 45 K HN 0.254 nan 8.250 nan 0.000 0.441 46 L N 4.369 125.598 121.223 0.009 0.000 2.290 46 L HA 0.265 4.613 4.340 0.013 0.000 0.284 46 L C -0.971 175.909 176.870 0.016 0.000 1.078 46 L CA -0.186 54.660 54.840 0.011 0.000 0.815 46 L CB 1.199 43.263 42.059 0.008 0.000 1.162 46 L HN 0.299 nan 8.230 nan 0.000 0.435 47 V N 6.401 126.327 119.914 0.019 0.000 2.472 47 V HA 0.492 4.620 4.120 0.013 0.000 0.290 47 V C 0.086 176.198 176.094 0.030 0.000 1.037 47 V CA -0.629 61.686 62.300 0.026 0.000 0.908 47 V CB 1.406 33.245 31.823 0.027 0.000 0.985 47 V HN 0.642 nan 8.190 nan 0.000 0.454 48 L N 3.204 124.450 121.223 0.038 0.000 2.381 48 L HA 0.664 5.012 4.340 0.013 0.000 0.268 48 L C -0.311 176.589 176.870 0.051 0.000 0.997 48 L CA -0.521 54.344 54.840 0.042 0.000 0.818 48 L CB 2.251 44.334 42.059 0.041 0.000 1.310 48 L HN 0.620 nan 8.230 nan 0.000 0.416 49 E N 1.707 121.938 120.200 0.052 0.000 2.129 49 E HA 0.359 4.717 4.350 0.013 0.000 0.268 49 E C -1.006 175.621 176.600 0.045 0.000 0.900 49 E CA -0.802 55.631 56.400 0.055 0.000 0.755 49 E CB 1.958 31.704 29.700 0.077 0.000 1.117 49 E HN 0.388 nan 8.360 nan 0.000 0.410 50 V N 4.014 123.954 119.914 0.043 0.000 2.644 50 V HA -0.062 4.066 4.120 0.013 0.000 0.305 50 V C 0.989 177.103 176.094 0.033 0.000 1.053 50 V CA 1.281 63.611 62.300 0.051 0.000 1.186 50 V CB 0.692 32.551 31.823 0.060 0.000 0.895 50 V HN 0.892 nan 8.190 nan 0.000 0.490 51 A N 4.116 126.963 122.820 0.046 0.000 1.999 51 A HA 0.302 4.630 4.320 0.013 0.000 0.200 51 A C 0.647 178.257 177.584 0.043 0.000 1.363 51 A CA 0.432 52.485 52.037 0.028 0.000 0.844 51 A CB 0.345 19.360 19.000 0.026 0.000 0.954 51 A HN 0.883 nan 8.150 nan 0.000 0.481 52 Q N -1.150 118.703 119.800 0.089 0.000 2.534 52 Q HA 0.442 4.790 4.340 0.013 0.000 0.290 52 Q C -1.736 174.407 176.000 0.238 0.000 0.991 52 Q CA -0.763 55.111 55.803 0.117 0.000 0.783 52 Q CB 0.974 29.751 28.738 0.065 0.000 1.470 52 Q HN 0.500 nan 8.270 nan 0.000 0.406 53 H N 1.198 120.272 119.070 0.006 0.000 2.541 53 H HA 0.305 4.868 4.556 0.013 0.000 0.316 53 H C 0.372 175.712 175.328 0.021 0.000 1.043 53 H CA -0.465 55.592 56.048 0.014 0.000 1.232 53 H CB 1.420 31.183 29.762 0.001 0.000 1.406 53 H HN 0.480 nan 8.280 nan 0.000 0.469 54 L N 2.854 124.146 121.223 0.114 0.000 2.554 54 L HA 0.155 4.503 4.340 0.013 0.000 0.226 54 L C 1.277 178.190 176.870 0.072 0.000 1.137 54 L CA 0.438 55.325 54.840 0.079 0.000 0.863 54 L CB -0.135 41.959 42.059 0.059 0.000 0.985 54 L HN 0.900 nan 8.230 nan 0.000 0.451 55 G N 0.285 109.134 108.800 0.082 0.000 2.710 55 G HA2 -0.218 3.750 3.960 0.013 0.000 0.668 55 G HA3 -0.218 3.750 3.960 0.013 0.000 0.668 55 G C 0.043 174.985 174.900 0.069 0.000 1.320 55 G CA -0.400 44.742 45.100 0.070 0.000 0.860 55 G HN 0.310 nan 8.290 nan 0.000 0.538 56 E N 0.173 120.414 120.200 0.068 0.000 2.294 56 E HA -0.267 4.091 4.350 0.013 0.000 0.228 56 E C 0.828 177.513 176.600 0.141 0.000 1.253 56 E CA 0.810 57.265 56.400 0.091 0.000 0.716 56 E CB -1.066 28.681 29.700 0.078 0.000 1.184 56 E HN 0.907 nan 8.360 nan 0.000 0.374 57 N N -1.043 117.700 118.700 0.072 0.000 2.725 57 N HA -0.163 4.585 4.740 0.013 0.000 0.249 57 N C -0.817 174.679 175.510 -0.022 0.000 1.103 57 N CA 1.796 54.837 53.050 -0.015 0.000 0.707 57 N CB -0.951 37.486 38.487 -0.083 0.000 1.043 57 N HN 0.219 nan 8.380 nan 0.000 0.553 58 T N 0.020 114.616 114.554 0.069 0.000 2.829 58 T HA 0.573 4.931 4.350 0.013 0.000 0.280 58 T C 0.527 175.240 174.700 0.022 0.000 0.999 58 T CA -0.704 61.452 62.100 0.093 0.000 0.983 58 T CB 2.678 71.630 68.868 0.140 0.000 0.968 58 T HN 0.108 nan 8.240 nan 0.000 0.446 59 V N 1.404 121.340 119.914 0.037 0.000 2.630 59 V HA 0.732 4.859 4.120 0.013 0.000 0.305 59 V C -0.085 176.040 176.094 0.052 0.000 1.046 59 V CA -1.366 60.943 62.300 0.014 0.000 0.934 59 V CB 1.529 33.354 31.823 0.004 0.000 1.003 59 V HN 0.835 nan 8.190 nan 0.000 0.451 60 R N 2.036 122.570 120.500 0.058 0.000 2.346 60 R HA 0.717 5.065 4.340 0.013 0.000 0.311 60 R C -0.147 176.185 176.300 0.053 0.000 0.983 60 R CA 0.244 56.374 56.100 0.050 0.000 0.880 60 R CB 1.461 31.788 30.300 0.045 0.000 1.100 60 R HN 1.157 nan 8.270 nan 0.000 0.453 61 T N 1.246 115.826 114.554 0.043 0.000 2.916 61 T HA 0.544 4.901 4.350 0.013 0.000 0.292 61 T C -0.108 174.610 174.700 0.030 0.000 1.064 61 T CA -0.890 61.236 62.100 0.042 0.000 1.011 61 T CB 1.204 70.101 68.868 0.048 0.000 1.152 61 T HN 0.435 nan 8.240 nan 0.000 0.510 62 I N 1.740 122.329 120.570 0.031 0.000 2.362 62 I HA 0.585 4.763 4.170 0.013 0.000 0.289 62 I C 0.767 176.900 176.117 0.026 0.000 0.994 62 I CA -1.183 60.132 61.300 0.023 0.000 1.158 62 I CB 1.436 39.449 38.000 0.022 0.000 1.315 62 I HN 0.959 nan 8.210 nan 0.000 0.451 63 A N 6.931 129.763 122.820 0.019 0.000 2.425 63 A HA 0.393 4.721 4.320 0.013 0.000 0.242 63 A C 0.854 178.449 177.584 0.019 0.000 1.077 63 A CA -0.101 51.947 52.037 0.018 0.000 0.781 63 A CB 0.435 19.442 19.000 0.012 0.000 1.020 63 A HN 0.797 nan 8.150 nan 0.000 0.494 64 M N 0.240 119.853 119.600 0.021 0.000 2.382 64 M HA 0.184 4.672 4.480 0.013 0.000 0.247 64 M C -0.163 176.147 176.300 0.017 0.000 1.104 64 M CA 0.583 55.896 55.300 0.022 0.000 1.030 64 M CB -0.574 32.042 32.600 0.026 0.000 1.424 64 M HN 0.762 nan 8.290 nan 0.000 0.486 65 D N -0.835 119.572 120.400 0.013 0.000 2.610 65 D HA 0.482 5.130 4.640 0.013 0.000 0.271 65 D C -0.368 175.936 176.300 0.006 0.000 1.174 65 D CA -0.135 53.871 54.000 0.010 0.000 0.949 65 D CB 1.868 42.674 40.800 0.009 0.000 1.430 65 D HN 0.128 nan 8.370 nan 0.000 0.467 66 G N -0.769 108.034 108.800 0.004 0.000 2.568 66 G HA2 0.230 4.198 3.960 0.013 0.000 0.231 66 G HA3 0.230 4.198 3.960 0.013 0.000 0.231 66 G C 0.748 175.649 174.900 0.001 0.000 1.261 66 G CA 0.637 45.738 45.100 0.001 0.000 0.855 66 G HN 0.423 nan 8.290 nan 0.000 0.576 67 T N -1.462 113.092 114.554 -0.001 0.000 3.174 67 T HA 0.254 4.612 4.350 0.013 0.000 0.269 67 T C 0.265 174.963 174.700 -0.003 0.000 1.017 67 T CA -0.318 61.781 62.100 -0.002 0.000 0.899 67 T CB 0.045 68.911 68.868 -0.002 0.000 1.077 67 T HN 0.560 nan 8.240 nan 0.000 0.552 68 E N 1.445 121.644 120.200 -0.003 0.000 2.465 68 E HA 0.443 4.801 4.350 0.013 0.000 0.260 68 E C 1.424 178.021 176.600 -0.004 0.000 0.980 68 E CA 0.745 57.143 56.400 -0.004 0.000 0.927 68 E CB -0.197 29.501 29.700 -0.003 0.000 0.934 68 E HN 0.356 nan 8.360 nan 0.000 0.459 69 G N 2.227 111.024 108.800 -0.005 0.000 2.213 69 G HA2 -0.280 3.688 3.960 0.013 0.000 0.236 69 G HA3 -0.280 3.688 3.960 0.013 0.000 0.236 69 G C 0.201 175.096 174.900 -0.008 0.000 0.991 69 G CA -0.202 44.894 45.100 -0.006 0.000 0.629 69 G HN 0.399 nan 8.290 nan 0.000 0.517 70 L N 0.798 122.016 121.223 -0.008 0.000 2.483 70 L HA 0.480 4.828 4.340 0.013 0.000 0.275 70 L C 0.588 177.450 176.870 -0.013 0.000 1.220 70 L CA -0.070 54.763 54.840 -0.011 0.000 0.833 70 L CB 1.034 43.086 42.059 -0.011 0.000 1.102 70 L HN 0.025 nan 8.230 nan 0.000 0.490 71 V N 2.322 122.226 119.914 -0.017 0.000 2.789 71 V HA 0.361 4.489 4.120 0.013 0.000 0.311 71 V C -0.047 176.033 176.094 -0.024 0.000 1.073 71 V CA -0.941 61.348 62.300 -0.018 0.000 0.921 71 V CB 2.027 33.840 31.823 -0.017 0.000 1.009 71 V HN 0.669 nan 8.190 nan 0.000 0.426 72 R N 2.187 122.673 120.500 -0.025 0.000 2.522 72 R HA 0.414 4.762 4.340 0.013 0.000 0.284 72 R C 1.280 177.560 176.300 -0.034 0.000 1.032 72 R CA 1.066 57.148 56.100 -0.031 0.000 1.049 72 R CB 0.128 30.411 30.300 -0.029 0.000 0.956 72 R HN 1.226 nan 8.270 nan 0.000 0.422 73 G N 1.892 110.667 108.800 -0.041 0.000 2.213 73 G HA2 -0.295 3.672 3.960 0.013 0.000 0.226 73 G HA3 -0.295 3.672 3.960 0.013 0.000 0.226 73 G C 0.102 174.977 174.900 -0.043 0.000 0.992 73 G CA -0.078 44.997 45.100 -0.041 0.000 0.632 73 G HN 0.613 nan 8.290 nan 0.000 0.511 74 E N 1.181 121.357 120.200 -0.041 0.000 2.415 74 E HA 0.364 4.722 4.350 0.013 0.000 0.263 74 E C 0.712 177.280 176.600 -0.053 0.000 0.995 74 E CA -0.290 56.086 56.400 -0.039 0.000 0.915 74 E CB 0.311 29.992 29.700 -0.032 0.000 0.951 74 E HN 0.337 nan 8.360 nan 0.000 0.449 75 K N 2.680 123.053 120.400 -0.045 0.000 2.448 75 K HA 0.081 4.409 4.320 0.013 0.000 0.278 75 K C -1.224 175.344 176.600 -0.054 0.000 1.009 75 K CA -0.165 56.091 56.287 -0.051 0.000 0.995 75 K CB 0.561 33.044 32.500 -0.027 0.000 0.917 75 K HN 0.235 nan 8.250 nan 0.000 0.481 76 V N 5.938 125.802 119.914 -0.082 0.000 2.540 76 V HA 0.316 4.444 4.120 0.013 0.000 0.302 76 V C -0.801 175.304 176.094 0.018 0.000 1.035 76 V CA -1.018 61.248 62.300 -0.057 0.000 0.873 76 V CB 1.485 33.230 31.823 -0.130 0.000 0.992 76 V HN 0.650 nan 8.190 nan 0.000 0.428 77 L N 3.866 125.124 121.223 0.058 0.000 2.295 77 L HA 0.652 5.000 4.340 0.013 0.000 0.285 77 L C -0.385 176.559 176.870 0.123 0.000 1.035 77 L CA 0.101 54.994 54.840 0.088 0.000 0.806 77 L CB 1.573 43.662 42.059 0.050 0.000 1.214 77 L HN 0.725 nan 8.230 nan 0.000 0.426 78 D N 1.589 122.072 120.400 0.137 0.000 2.249 78 D HA 0.185 4.833 4.640 0.013 0.000 0.246 78 D C 0.987 177.310 176.300 0.038 0.000 1.114 78 D CA 0.187 54.238 54.000 0.084 0.000 0.854 78 D CB 1.583 42.396 40.800 0.021 0.000 1.132 78 D HN 0.700 nan 8.370 nan 0.000 0.461 79 T N 0.853 115.424 114.554 0.029 0.000 3.085 79 T HA 0.165 4.522 4.350 0.013 0.000 0.263 79 T C 1.534 176.236 174.700 0.004 0.000 1.127 79 T CA 0.401 62.511 62.100 0.017 0.000 1.103 79 T CB -0.372 68.507 68.868 0.019 0.000 0.921 79 T HN 0.727 nan 8.240 nan 0.000 0.510 80 G N 0.242 109.038 108.800 -0.007 0.000 2.221 80 G HA2 0.194 4.161 3.960 0.013 0.000 0.265 80 G HA3 0.194 4.161 3.960 0.013 0.000 0.265 80 G C 0.343 175.236 174.900 -0.011 0.000 1.041 80 G CA -0.115 44.974 45.100 -0.019 0.000 0.807 80 G HN 1.415 nan 8.290 nan 0.000 0.502 81 G N -1.636 107.163 108.800 -0.002 0.000 2.523 81 G HA2 0.764 4.732 3.960 0.013 0.000 0.291 81 G HA3 0.764 4.732 3.960 0.013 0.000 0.291 81 G C -3.205 171.707 174.900 0.020 0.000 1.450 81 G CA -0.085 45.019 45.100 0.007 0.000 0.790 81 G HN 0.228 nan 8.290 nan 0.000 0.496 82 P HA 0.439 nan 4.420 nan 0.000 0.289 82 P C 0.136 177.478 177.300 0.070 0.000 1.299 82 P CA -0.712 62.430 63.100 0.069 0.000 0.766 82 P CB 0.692 32.460 31.700 0.114 0.000 1.226 83 I N -0.105 120.525 120.570 0.100 0.000 2.683 83 I HA 0.023 4.201 4.170 0.013 0.000 0.286 83 I C 0.850 176.989 176.117 0.036 0.000 1.175 83 I CA 1.104 62.441 61.300 0.061 0.000 1.429 83 I CB -0.071 37.967 38.000 0.062 0.000 1.371 83 I HN 0.171 nan 8.210 nan 0.000 0.569 84 S N 5.103 120.810 115.700 0.012 0.000 2.503 84 S HA 0.707 5.185 4.470 0.013 0.000 0.301 84 S C -0.623 173.962 174.600 -0.025 0.000 1.087 84 S CA -0.681 57.514 58.200 -0.008 0.000 1.042 84 S CB 1.693 64.887 63.200 -0.010 0.000 1.043 84 S HN 0.391 nan 8.310 nan 0.000 0.489 85 V N 1.847 121.736 119.914 -0.042 0.000 2.680 85 V HA 0.649 4.777 4.120 0.013 0.000 0.309 85 V C -2.901 173.139 176.094 -0.089 0.000 1.052 85 V CA -3.092 59.174 62.300 -0.056 0.000 0.908 85 V CB 1.033 32.824 31.823 -0.053 0.000 1.001 85 V HN 0.568 nan 8.190 nan 0.000 0.431 86 P HA 0.100 nan 4.420 nan 0.000 0.258 86 P C -0.171 177.021 177.300 -0.180 0.000 1.172 86 P CA 0.575 63.599 63.100 -0.127 0.000 0.762 86 P CB 0.291 31.938 31.700 -0.088 0.000 0.764 87 V N 1.524 121.248 119.914 -0.317 0.000 2.881 87 V HA 1.010 5.137 4.120 0.013 0.000 0.316 87 V C 0.407 176.130 176.094 -0.618 0.000 1.070 87 V CA -0.074 61.916 62.300 -0.517 0.000 0.976 87 V CB 1.320 32.634 31.823 -0.849 0.000 1.038 87 V HN 0.894 nan 8.190 nan 0.000 0.446 88 G N 2.595 111.008 108.800 -0.646 0.000 2.422 88 G HA2 -0.083 3.885 3.960 0.013 0.000 0.607 88 G HA3 -0.083 3.885 3.960 0.013 0.000 0.607 88 G C -0.003 174.691 174.900 -0.343 0.000 1.270 88 G CA -0.068 44.743 45.100 -0.482 0.000 0.992 88 G HN 0.832 nan 8.290 nan 0.000 0.499 89 R N 0.164 120.536 120.500 -0.214 0.000 2.148 89 R HA 0.000 4.348 4.340 0.013 0.000 0.223 89 R C 1.946 178.201 176.300 -0.074 0.000 1.088 89 R CA 1.321 57.342 56.100 -0.131 0.000 0.985 89 R CB -0.118 30.135 30.300 -0.079 0.000 0.880 89 R HN 0.559 nan 8.270 nan 0.000 0.451 90 E N 0.285 120.439 120.200 -0.077 0.000 2.396 90 E HA -0.124 4.233 4.350 0.013 0.000 0.200 90 E C 1.652 178.231 176.600 -0.036 0.000 1.023 90 E CA 1.529 57.899 56.400 -0.051 0.000 0.857 90 E CB -0.164 29.499 29.700 -0.061 0.000 0.775 90 E HN 0.470 nan 8.360 nan 0.000 0.525 91 T N -1.513 113.023 114.554 -0.031 0.000 3.067 91 T HA 0.093 4.451 4.350 0.013 0.000 0.261 91 T C 1.199 175.915 174.700 0.027 0.000 1.110 91 T CA -0.103 62.000 62.100 0.004 0.000 1.113 91 T CB -0.047 68.841 68.868 0.033 0.000 0.917 91 T HN -0.038 nan 8.240 nan 0.000 0.499 92 L N 1.891 123.123 121.223 0.016 0.000 2.410 92 L HA 0.479 4.826 4.340 0.013 0.000 0.273 92 L C 1.631 178.523 176.870 0.036 0.000 1.152 92 L CA 0.626 55.468 54.840 0.004 0.000 0.855 92 L CB 0.186 42.207 42.059 -0.063 0.000 1.129 92 L HN 0.493 nan 8.230 nan 0.000 0.463 93 G N 1.710 110.549 108.800 0.065 0.000 2.168 93 G HA2 -0.227 3.741 3.960 0.013 0.000 0.263 93 G HA3 -0.227 3.741 3.960 0.013 0.000 0.263 93 G C 0.362 175.330 174.900 0.114 0.000 0.977 93 G CA -0.214 44.951 45.100 0.109 0.000 0.659 93 G HN 0.467 nan 8.290 nan 0.000 0.533 94 R N -0.375 120.162 120.500 0.061 0.000 2.674 94 R HA 0.762 5.110 4.340 0.013 0.000 0.266 94 R C 0.422 176.717 176.300 -0.008 0.000 1.016 94 R CA -0.991 55.124 56.100 0.025 0.000 1.062 94 R CB 0.805 31.111 30.300 0.010 0.000 1.142 94 R HN 0.296 nan 8.270 nan 0.000 0.517 95 I N 2.540 123.074 120.570 -0.059 0.000 2.404 95 I HA 0.458 4.636 4.170 0.013 0.000 0.293 95 I C 0.013 176.126 176.117 -0.008 0.000 0.992 95 I CA -0.568 60.706 61.300 -0.044 0.000 1.149 95 I CB 1.296 39.223 38.000 -0.121 0.000 1.315 95 I HN 0.279 nan 8.210 nan 0.000 0.446 96 I N 4.548 125.126 120.570 0.013 0.000 2.892 96 I HA 0.418 4.596 4.170 0.013 0.000 0.306 96 I C -0.168 175.964 176.117 0.025 0.000 1.078 96 I CA -0.834 60.470 61.300 0.005 0.000 1.032 96 I CB 1.908 39.899 38.000 -0.015 0.000 1.229 96 I HN 0.465 nan 8.210 nan 0.000 0.435 97 N N 0.766 119.476 118.700 0.017 0.000 2.413 97 N HA 0.208 4.956 4.740 0.013 0.000 0.266 97 N C 0.724 176.240 175.510 0.010 0.000 1.238 97 N CA -0.401 52.664 53.050 0.025 0.000 0.972 97 N CB 1.464 39.961 38.487 0.016 0.000 1.210 97 N HN 0.504 nan 8.380 nan 0.000 0.547 98 V N 1.177 121.101 119.914 0.016 0.000 2.515 98 V HA -0.088 4.040 4.120 0.013 0.000 0.250 98 V C 1.479 177.572 176.094 -0.001 0.000 1.058 98 V CA 1.708 64.011 62.300 0.005 0.000 1.064 98 V CB -0.538 31.295 31.823 0.017 0.000 0.675 98 V HN 0.654 nan 8.190 nan 0.000 0.461 99 I N -2.132 118.441 120.570 0.005 0.000 3.875 99 I HA 0.528 4.706 4.170 0.013 0.000 0.329 99 I C 1.452 177.567 176.117 -0.005 0.000 1.295 99 I CA 0.634 61.936 61.300 0.004 0.000 1.129 99 I CB -0.317 37.690 38.000 0.011 0.000 1.008 99 I HN 0.341 nan 8.210 nan 0.000 0.413 100 G N 0.760 109.554 108.800 -0.009 0.000 2.179 100 G HA2 -0.311 3.656 3.960 0.013 0.000 0.260 100 G HA3 -0.311 3.656 3.960 0.013 0.000 0.260 100 G C 0.143 175.034 174.900 -0.016 0.000 0.977 100 G CA 0.376 45.465 45.100 -0.018 0.000 0.641 100 G HN 0.878 nan 8.290 nan 0.000 0.533 101 E N 1.653 121.849 120.200 -0.008 0.000 2.366 101 E HA 0.639 4.997 4.350 0.013 0.000 0.266 101 E C -1.682 174.915 176.600 -0.005 0.000 1.051 101 E CA -1.015 55.381 56.400 -0.007 0.000 0.884 101 E CB 0.168 29.867 29.700 -0.002 0.000 1.006 101 E HN 0.389 nan 8.360 nan 0.000 0.417 102 P HA 0.249 nan 4.420 nan 0.000 0.275 102 P C 0.205 177.499 177.300 -0.010 0.000 1.228 102 P CA 0.048 63.141 63.100 -0.010 0.000 0.786 102 P CB 0.594 32.288 31.700 -0.011 0.000 0.927 103 I N -1.455 119.104 120.570 -0.017 0.000 3.658 103 I HA 0.295 4.473 4.170 0.013 0.000 0.328 103 I C 0.125 176.209 176.117 -0.056 0.000 1.567 103 I CA -0.290 60.996 61.300 -0.022 0.000 1.078 103 I CB 0.134 38.133 38.000 -0.002 0.000 1.267 103 I HN 0.038 nan 8.210 nan 0.000 0.495 104 D N 0.544 120.906 120.400 -0.064 0.000 2.501 104 D HA 0.053 4.701 4.640 0.013 0.000 0.224 104 D C 0.372 176.665 176.300 -0.011 0.000 1.202 104 D CA -0.234 53.719 54.000 -0.078 0.000 0.829 104 D CB -0.015 40.691 40.800 -0.157 0.000 1.023 104 D HN 0.484 nan 8.370 nan 0.000 0.499 105 E N 0.045 120.241 120.200 -0.006 0.000 2.660 105 E HA -0.256 4.101 4.350 0.013 0.000 0.260 105 E C 0.464 177.073 176.600 0.015 0.000 1.122 105 E CA 0.392 56.796 56.400 0.007 0.000 0.755 105 E CB -1.068 28.640 29.700 0.013 0.000 1.345 105 E HN 0.351 nan 8.360 nan 0.000 0.421 106 R N 0.014 120.524 120.500 0.016 0.000 2.466 106 R HA 0.256 4.604 4.340 0.013 0.000 0.279 106 R C 0.808 177.117 176.300 0.015 0.000 0.976 106 R CA 0.421 56.535 56.100 0.024 0.000 1.081 106 R CB 0.816 31.139 30.300 0.039 0.000 1.215 106 R HN 0.308 nan 8.270 nan 0.000 0.546 107 G N 1.683 110.488 108.800 0.008 0.000 2.710 107 G HA2 -0.197 3.771 3.960 0.013 0.000 0.668 107 G HA3 -0.197 3.771 3.960 0.013 0.000 0.668 107 G C -2.669 172.231 174.900 -0.001 0.000 1.320 107 G CA -1.308 43.794 45.100 0.004 0.000 0.860 107 G HN 0.018 nan 8.290 nan 0.000 0.538 108 P HA 0.406 nan 4.420 nan 0.000 0.268 108 P C 0.250 177.542 177.300 -0.012 0.000 1.205 108 P CA -0.243 62.851 63.100 -0.009 0.000 0.771 108 P CB 0.396 32.090 31.700 -0.010 0.000 0.858 109 I N 3.155 123.714 120.570 -0.018 0.000 2.389 109 I HA 0.012 4.190 4.170 0.013 0.000 0.295 109 I C 1.047 177.144 176.117 -0.033 0.000 1.117 109 I CA 0.346 61.631 61.300 -0.025 0.000 1.317 109 I CB -0.175 37.805 38.000 -0.033 0.000 1.431 109 I HN 0.103 nan 8.210 nan 0.000 0.521 110 K N 5.338 125.721 120.400 -0.028 0.000 2.737 110 K HA 0.092 4.420 4.320 0.013 0.000 0.251 110 K C 0.389 176.963 176.600 -0.045 0.000 1.280 110 K CA -0.219 56.049 56.287 -0.031 0.000 1.219 110 K CB -0.099 32.389 32.500 -0.020 0.000 1.587 110 K HN 0.661 nan 8.250 nan 0.000 0.279 111 S N -0.320 115.342 115.700 -0.064 0.000 2.584 111 S HA 0.234 4.711 4.470 0.013 0.000 0.273 111 S C 1.416 175.964 174.600 -0.088 0.000 1.311 111 S CA -0.414 57.730 58.200 -0.094 0.000 1.034 111 S CB 1.637 64.756 63.200 -0.135 0.000 0.939 111 S HN 0.435 nan 8.310 nan 0.000 0.513 112 K N 2.643 122.987 120.400 -0.094 0.000 2.155 112 K HA 0.334 4.662 4.320 0.013 0.000 0.203 112 K C 0.767 177.315 176.600 -0.086 0.000 1.052 112 K CA 1.142 57.387 56.287 -0.071 0.000 0.948 112 K CB -0.783 31.687 32.500 -0.049 0.000 0.728 112 K HN 0.737 nan 8.250 nan 0.000 0.448 113 L N -0.402 120.733 121.223 -0.146 0.000 2.371 113 L HA 0.538 4.886 4.340 0.013 0.000 0.262 113 L C -0.545 176.214 176.870 -0.185 0.000 1.006 113 L CA -1.224 53.525 54.840 -0.151 0.000 0.818 113 L CB 2.689 44.656 42.059 -0.154 0.000 1.354 113 L HN 0.128 nan 8.230 nan 0.000 0.415 114 R N 1.839 122.264 120.500 -0.124 0.000 2.476 114 R HA 0.483 4.831 4.340 0.013 0.000 0.305 114 R C -1.164 175.091 176.300 -0.075 0.000 0.965 114 R CA -0.792 55.244 56.100 -0.107 0.000 0.867 114 R CB 2.453 32.712 30.300 -0.068 0.000 1.176 114 R HN 0.461 nan 8.270 nan 0.000 0.447 115 K N 3.495 123.849 120.400 -0.078 0.000 2.203 115 K HA 0.439 4.767 4.320 0.013 0.000 0.251 115 K C -2.401 174.191 176.600 -0.014 0.000 0.944 115 K CA -2.112 54.158 56.287 -0.029 0.000 0.829 115 K CB 2.100 34.597 32.500 -0.006 0.000 1.125 115 K HN 0.286 nan 8.250 nan 0.000 0.430 116 P HA 0.021 nan 4.420 nan 0.000 0.271 116 P C 0.615 177.920 177.300 0.008 0.000 1.216 116 P CA 0.044 63.160 63.100 0.026 0.000 0.776 116 P CB 0.371 32.102 31.700 0.052 0.000 0.881 117 I N -0.454 120.102 120.570 -0.023 0.000 2.761 117 I HA 0.018 4.196 4.170 0.013 0.000 0.261 117 I C 0.685 176.675 176.117 -0.212 0.000 1.198 117 I CA 0.630 61.854 61.300 -0.127 0.000 1.482 117 I CB -0.763 37.125 38.000 -0.187 0.000 1.100 117 I HN 0.243 nan 8.210 nan 0.000 0.445 118 H N 2.888 121.961 119.070 0.005 0.000 2.652 118 H HA 0.722 5.286 4.556 0.013 0.000 0.298 118 H C -0.386 174.944 175.328 0.003 0.000 1.076 118 H CA -0.105 55.946 56.048 0.006 0.000 1.360 118 H CB 1.191 30.960 29.762 0.011 0.000 1.421 118 H HN 0.429 nan 8.280 nan 0.000 0.464 119 A N 3.664 126.535 122.820 0.086 0.000 2.498 119 A HA 0.332 4.660 4.320 0.013 0.000 0.298 119 A C -0.720 176.890 177.584 0.043 0.000 1.075 119 A CA -0.993 51.075 52.037 0.052 0.000 0.714 119 A CB 1.480 20.495 19.000 0.025 0.000 1.299 119 A HN 0.518 nan 8.150 nan 0.000 0.407 120 D N 2.729 123.149 120.400 0.034 0.000 2.350 120 D HA 0.434 5.082 4.640 0.013 0.000 0.249 120 D C -2.031 174.280 176.300 0.018 0.000 1.119 120 D CA -0.600 53.416 54.000 0.028 0.000 0.886 120 D CB 0.691 41.506 40.800 0.024 0.000 1.195 120 D HN 0.316 nan 8.370 nan 0.000 0.437 121 P HA 0.191 nan 4.420 nan 0.000 0.271 121 P C -2.550 174.760 177.300 0.015 0.000 1.218 121 P CA -1.121 61.985 63.100 0.010 0.000 0.780 121 P CB -0.433 31.276 31.700 0.015 0.000 0.901 122 P HA 0.017 nan 4.420 nan 0.000 0.263 122 P C 0.455 177.768 177.300 0.022 0.000 1.195 122 P CA 0.213 63.317 63.100 0.005 0.000 0.762 122 P CB 0.077 31.771 31.700 -0.010 0.000 0.799 123 S N 2.823 118.541 115.700 0.030 0.000 2.580 123 S HA -0.017 4.461 4.470 0.013 0.000 0.261 123 S C 1.003 175.654 174.600 0.085 0.000 1.366 123 S CA -0.367 57.873 58.200 0.067 0.000 0.996 123 S CB -0.064 63.173 63.200 0.062 0.000 0.902 123 S HN 0.392 nan 8.310 nan 0.000 0.566 124 F N 1.616 121.568 119.950 0.004 0.000 2.126 124 F HA -0.055 4.479 4.527 0.013 0.000 0.299 124 F C 2.466 178.267 175.800 0.002 0.000 1.096 124 F CA 1.640 59.643 58.000 0.004 0.000 1.255 124 F CB -1.088 37.914 39.000 0.004 0.000 0.997 124 F HN 0.727 nan 8.300 nan 0.000 0.479 125 A N -0.259 122.562 122.820 0.003 0.000 1.978 125 A HA -0.231 4.097 4.320 0.013 0.000 0.220 125 A C 2.033 179.534 177.584 -0.138 0.000 1.170 125 A CA 1.946 53.937 52.037 -0.077 0.000 0.636 125 A CB -0.832 18.181 19.000 0.022 0.000 0.810 125 A HN 0.558 nan 8.150 nan 0.000 0.448 126 E N -0.123 120.016 120.200 -0.103 0.000 2.481 126 E HA -0.012 4.345 4.350 0.013 0.000 0.195 126 E C 0.114 176.644 176.600 -0.117 0.000 1.047 126 E CA -0.169 56.179 56.400 -0.087 0.000 0.867 126 E CB 0.106 29.779 29.700 -0.046 0.000 0.858 126 E HN 0.544 nan 8.360 nan 0.000 0.513 127 Q N 0.290 119.975 119.800 -0.193 0.000 2.364 127 Q HA 0.116 4.464 4.340 0.013 0.000 0.267 127 Q C -0.382 175.520 176.000 -0.164 0.000 0.999 127 Q CA 0.322 56.011 55.803 -0.190 0.000 0.886 127 Q CB 1.663 30.227 28.738 -0.290 0.000 1.243 127 Q HN -0.062 nan 8.270 nan 0.000 0.415 128 S N 1.432 117.067 115.700 -0.107 0.000 2.789 128 S HA 0.380 4.858 4.470 0.013 0.000 0.286 128 S C -0.773 173.792 174.600 -0.058 0.000 1.153 128 S CA -0.631 57.521 58.200 -0.080 0.000 1.084 128 S CB 0.449 63.614 63.200 -0.058 0.000 1.036 128 S HN 0.544 nan 8.310 nan 0.000 0.484 129 T N 1.899 116.420 114.554 -0.055 0.000 2.875 129 T HA 0.790 5.148 4.350 0.013 0.000 0.284 129 T C 0.101 174.790 174.700 -0.018 0.000 0.995 129 T CA -0.649 61.433 62.100 -0.031 0.000 1.060 129 T CB 1.392 70.244 68.868 -0.026 0.000 0.967 129 T HN 0.802 nan 8.240 nan 0.000 0.476 130 S N 0.128 115.824 115.700 -0.006 0.000 2.607 130 S HA 0.734 5.211 4.470 0.013 0.000 0.273 130 S C -0.699 173.908 174.600 0.013 0.000 1.148 130 S CA -0.798 57.403 58.200 0.002 0.000 0.833 130 S CB 1.484 64.686 63.200 0.003 0.000 1.130 130 S HN 1.377 nan 8.310 nan 0.000 0.470 131 A N 0.829 123.659 122.820 0.017 0.000 3.201 131 A HA 0.576 4.904 4.320 0.013 0.000 0.312 131 A C -0.197 177.408 177.584 0.036 0.000 1.011 131 A CA -0.402 51.651 52.037 0.027 0.000 0.987 131 A CB -0.435 18.578 19.000 0.023 0.000 1.060 131 A HN 0.777 nan 8.150 nan 0.000 0.505 132 E N 1.505 121.728 120.200 0.039 0.000 2.092 132 E HA 0.471 4.829 4.350 0.013 0.000 0.271 132 E C -0.763 175.875 176.600 0.064 0.000 0.919 132 E CA -0.741 55.686 56.400 0.046 0.000 0.760 132 E CB 0.492 30.214 29.700 0.036 0.000 1.106 132 E HN 0.514 nan 8.360 nan 0.000 0.408 133 I N 3.860 124.474 120.570 0.074 0.000 2.710 133 I HA -0.011 4.167 4.170 0.013 0.000 0.286 133 I C -0.042 176.134 176.117 0.099 0.000 1.181 133 I CA -0.021 61.336 61.300 0.096 0.000 1.430 133 I CB 0.097 38.157 38.000 0.100 0.000 1.367 133 I HN 0.453 nan 8.210 nan 0.000 0.577 134 L N 6.202 127.503 121.223 0.130 0.000 2.301 134 L HA 0.370 4.717 4.340 0.013 0.000 0.278 134 L C 0.123 177.070 176.870 0.128 0.000 1.022 134 L CA -0.372 54.551 54.840 0.138 0.000 0.854 134 L CB 0.626 42.787 42.059 0.170 0.000 1.226 134 L HN 0.692 nan 8.230 nan 0.000 0.429 135 E N 1.916 122.167 120.200 0.086 0.000 2.417 135 E HA 0.024 4.382 4.350 0.013 0.000 0.261 135 E C 0.422 177.050 176.600 0.046 0.000 1.000 135 E CA 0.735 57.166 56.400 0.052 0.000 0.919 135 E CB 0.783 30.506 29.700 0.039 0.000 0.955 135 E HN 0.788 nan 8.360 nan 0.000 0.455 136 T N 1.055 115.612 114.554 0.005 0.000 3.000 136 T HA 0.264 4.622 4.350 0.013 0.000 0.248 136 T C 1.473 176.145 174.700 -0.047 0.000 1.034 136 T CA 0.331 62.423 62.100 -0.013 0.000 1.060 136 T CB 0.294 69.115 68.868 -0.079 0.000 0.983 136 T HN 0.764 nan 8.240 nan 0.000 0.482 137 G N 1.733 110.510 108.800 -0.039 0.000 2.179 137 G HA2 -0.205 3.763 3.960 0.013 0.000 0.260 137 G HA3 -0.205 3.763 3.960 0.013 0.000 0.260 137 G C 0.013 174.888 174.900 -0.042 0.000 0.977 137 G CA 0.188 45.265 45.100 -0.039 0.000 0.641 137 G HN 0.667 nan 8.290 nan 0.000 0.533 138 I N 0.934 121.472 120.570 -0.053 0.000 2.304 138 I HA 0.239 4.417 4.170 0.013 0.000 0.291 138 I C 1.650 177.776 176.117 0.015 0.000 1.018 138 I CA -0.826 60.478 61.300 0.006 0.000 1.260 138 I CB 1.268 39.263 38.000 -0.009 0.000 1.390 138 I HN -0.003 nan 8.210 nan 0.000 0.475 139 K N 3.830 124.248 120.400 0.029 0.000 2.001 139 K HA -0.229 4.099 4.320 0.013 0.000 0.223 139 K C 1.828 178.436 176.600 0.013 0.000 1.055 139 K CA 2.168 58.473 56.287 0.030 0.000 0.965 139 K CB -0.389 32.121 32.500 0.017 0.000 0.730 139 K HN 0.662 nan 8.250 nan 0.000 0.449 140 V N -0.147 119.778 119.914 0.018 0.000 2.332 140 V HA -0.224 3.904 4.120 0.013 0.000 0.248 140 V C 2.317 178.400 176.094 -0.018 0.000 1.055 140 V CA 1.771 64.061 62.300 -0.016 0.000 1.038 140 V CB -0.988 30.854 31.823 0.033 0.000 0.651 140 V HN 0.079 nan 8.190 nan 0.000 0.450 141 V N 0.804 120.713 119.914 -0.008 0.000 2.244 141 V HA -0.207 3.921 4.120 0.013 0.000 0.244 141 V C 2.521 178.550 176.094 -0.108 0.000 1.042 141 V CA 2.430 64.659 62.300 -0.119 0.000 1.006 141 V CB -0.850 30.779 31.823 -0.324 0.000 0.641 141 V HN 0.469 nan 8.190 nan 0.000 0.446 142 D N -0.269 120.087 120.400 -0.074 0.000 2.149 142 D HA -0.151 4.496 4.640 0.013 0.000 0.198 142 D C 1.835 178.189 176.300 0.090 0.000 0.990 142 D CA 1.271 55.268 54.000 -0.006 0.000 0.839 142 D CB -0.135 40.658 40.800 -0.010 0.000 0.948 142 D HN 0.354 nan 8.370 nan 0.000 0.460 143 L N -0.390 120.866 121.223 0.056 0.000 2.062 143 L HA 0.068 4.416 4.340 0.013 0.000 0.202 143 L C 1.969 178.878 176.870 0.066 0.000 1.079 143 L CA 1.190 56.108 54.840 0.129 0.000 0.755 143 L CB -0.195 41.811 42.059 -0.089 0.000 0.913 143 L HN -0.056 nan 8.230 nan 0.000 0.445 144 L N -0.475 120.718 121.223 -0.050 0.000 2.477 144 L HA 0.319 4.666 4.340 0.013 0.000 0.220 144 L C 0.340 177.178 176.870 -0.054 0.000 1.106 144 L CA 0.402 55.189 54.840 -0.089 0.000 0.851 144 L CB -0.103 41.888 42.059 -0.113 0.000 0.994 144 L HN 0.330 nan 8.230 nan 0.000 0.462 145 A N 0.023 122.835 122.820 -0.013 0.000 2.893 145 A HA 0.493 4.821 4.320 0.013 0.000 0.298 145 A C -2.764 174.859 177.584 0.065 0.000 1.227 145 A CA -0.775 51.281 52.037 0.031 0.000 0.845 145 A CB 0.091 19.125 19.000 0.057 0.000 1.430 145 A HN -0.191 nan 8.150 nan 0.000 0.493 146 P HA 0.257 nan 4.420 nan 0.000 0.271 146 P C -0.510 176.934 177.300 0.240 0.000 1.216 146 P CA 0.268 63.431 63.100 0.104 0.000 0.776 146 P CB 0.260 32.032 31.700 0.120 0.000 0.881 147 Y N 1.264 121.614 120.300 0.083 0.000 2.379 147 Y HA 0.428 4.987 4.550 0.014 0.000 0.337 147 Y C 0.989 176.922 175.900 0.055 0.000 1.238 147 Y CA -1.288 56.853 58.100 0.069 0.000 1.405 147 Y CB -0.008 38.499 38.460 0.078 0.000 1.310 147 Y HN 0.323 nan 8.280 nan 0.000 0.569 148 A N 3.949 126.877 122.820 0.179 0.000 2.318 148 A HA 0.575 4.903 4.320 0.013 0.000 0.317 148 A C -0.108 177.512 177.584 0.061 0.000 1.159 148 A CA -1.019 51.078 52.037 0.101 0.000 0.799 148 A CB 0.548 19.588 19.000 0.067 0.000 1.194 148 A HN 0.821 nan 8.150 nan 0.000 0.479 149 R N 1.062 121.601 120.500 0.065 0.000 2.502 149 R HA 0.303 4.651 4.340 0.013 0.000 0.292 149 R C 1.397 177.710 176.300 0.021 0.000 0.998 149 R CA 1.775 57.905 56.100 0.050 0.000 1.056 149 R CB 0.177 30.515 30.300 0.063 0.000 0.939 149 R HN 1.690 nan 8.270 nan 0.000 0.411 150 G N 1.934 110.735 108.800 0.002 0.000 2.168 150 G HA2 -0.268 3.700 3.960 0.013 0.000 0.263 150 G HA3 -0.268 3.700 3.960 0.013 0.000 0.263 150 G C 0.463 175.342 174.900 -0.035 0.000 0.977 150 G CA 0.101 45.190 45.100 -0.017 0.000 0.659 150 G HN 0.879 nan 8.290 nan 0.000 0.533 151 G N -0.849 107.926 108.800 -0.041 0.000 2.543 151 G HA2 0.590 4.558 3.960 0.013 0.000 0.290 151 G HA3 0.590 4.558 3.960 0.013 0.000 0.290 151 G C -0.212 174.635 174.900 -0.089 0.000 1.310 151 G CA -0.670 44.403 45.100 -0.046 0.000 1.025 151 G HN 0.357 nan 8.290 nan 0.000 0.502 152 K N 0.150 120.504 120.400 -0.077 0.000 2.389 152 K HA 0.400 4.728 4.320 0.013 0.000 0.261 152 K C -0.759 175.766 176.600 -0.126 0.000 1.014 152 K CA -0.160 56.064 56.287 -0.105 0.000 0.920 152 K CB 1.637 34.099 32.500 -0.063 0.000 1.149 152 K HN 0.258 nan 8.250 nan 0.000 0.444 153 I N 1.543 121.981 120.570 -0.220 0.000 2.392 153 I HA 0.393 4.571 4.170 0.013 0.000 0.295 153 I C 0.503 176.489 176.117 -0.219 0.000 0.985 153 I CA -0.496 60.620 61.300 -0.307 0.000 1.221 153 I CB 1.904 39.505 38.000 -0.665 0.000 1.366 153 I HN 0.593 nan 8.210 nan 0.000 0.467 154 G N 6.542 115.261 108.800 -0.134 0.000 2.643 154 G HA2 0.684 4.652 3.960 0.013 0.000 0.305 154 G HA3 0.684 4.652 3.960 0.013 0.000 0.305 154 G C -1.126 173.724 174.900 -0.084 0.000 1.387 154 G CA -0.571 44.443 45.100 -0.143 0.000 0.982 154 G HN 0.438 nan 8.290 nan 0.000 0.501 155 L N 1.796 122.906 121.223 -0.187 0.000 2.276 155 L HA 0.482 4.830 4.340 0.013 0.000 0.286 155 L C -0.890 175.846 176.870 -0.224 0.000 1.024 155 L CA -0.655 54.098 54.840 -0.145 0.000 0.826 155 L CB 0.996 42.955 42.059 -0.167 0.000 1.211 155 L HN 0.308 nan 8.230 nan 0.000 0.422 156 F N 1.631 121.500 119.950 -0.134 0.000 2.405 156 F HA 0.716 5.251 4.527 0.013 0.000 0.355 156 F C 0.910 176.657 175.800 -0.088 0.000 1.121 156 F CA -0.404 57.523 58.000 -0.122 0.000 1.112 156 F CB 1.879 40.803 39.000 -0.126 0.000 1.126 156 F HN 0.456 nan 8.300 nan 0.000 0.481 157 G N 1.370 110.188 108.800 0.030 0.000 2.733 157 G HA2 0.511 4.479 3.960 0.013 0.000 0.297 157 G HA3 0.511 4.479 3.960 0.013 0.000 0.297 157 G C -0.393 174.438 174.900 -0.116 0.000 1.422 157 G CA -0.545 44.554 45.100 -0.002 0.000 0.942 157 G HN 0.911 nan 8.290 nan 0.000 0.510 158 G N -0.291 108.434 108.800 -0.125 0.000 2.590 158 G HA2 0.590 4.558 3.960 0.013 0.000 0.276 158 G HA3 0.590 4.558 3.960 0.013 0.000 0.276 158 G C 0.729 175.569 174.900 -0.099 0.000 1.337 158 G CA 0.392 45.357 45.100 -0.225 0.000 1.030 158 G HN 1.542 nan 8.290 nan 0.000 0.534 159 A N -1.372 121.443 122.820 -0.009 0.000 2.451 159 A HA 0.537 4.865 4.320 0.013 0.000 0.266 159 A C 1.486 179.137 177.584 0.112 0.000 1.119 159 A CA 0.995 53.151 52.037 0.198 0.000 0.786 159 A CB -0.433 18.724 19.000 0.263 0.000 1.061 159 A HN 2.537 nan 8.150 nan 0.000 0.503 160 G N 0.927 109.796 108.800 0.115 0.000 2.162 160 G HA2 -0.229 3.739 3.960 0.013 0.000 0.260 160 G HA3 -0.229 3.739 3.960 0.013 0.000 0.260 160 G C 0.854 175.803 174.900 0.082 0.000 0.976 160 G CA 0.968 46.114 45.100 0.077 0.000 0.655 160 G HN 2.078 nan 8.290 nan 0.000 0.533 161 V N -3.180 116.789 119.914 0.092 0.000 3.052 161 V HA 0.616 4.744 4.120 0.013 0.000 0.254 161 V C 1.731 177.927 176.094 0.169 0.000 1.100 161 V CA 1.607 63.975 62.300 0.114 0.000 1.112 161 V CB 0.287 32.150 31.823 0.067 0.000 0.738 161 V HN 2.056 nan 8.190 nan 0.000 0.469 162 G N -0.055 108.837 108.800 0.153 0.000 2.731 162 G HA2 -0.092 3.876 3.960 0.013 0.000 0.219 162 G HA3 -0.092 3.876 3.960 0.013 0.000 0.219 162 G C 0.507 175.551 174.900 0.240 0.000 0.989 162 G CA 0.104 45.321 45.100 0.196 0.000 0.871 162 G HN 0.382 nan 8.290 nan 0.000 0.591 163 K N 0.031 120.538 120.400 0.178 0.000 2.032 163 K HA -0.066 4.262 4.320 0.013 0.000 0.209 163 K C 2.439 179.181 176.600 0.237 0.000 1.048 163 K CA 1.925 58.317 56.287 0.175 0.000 0.927 163 K CB -0.219 32.350 32.500 0.116 0.000 0.712 163 K HN 0.257 nan 8.250 nan 0.000 0.441 164 T N 1.154 115.828 114.554 0.200 0.000 2.770 164 T HA -0.072 4.286 4.350 0.013 0.000 0.263 164 T C 2.090 176.907 174.700 0.195 0.000 1.039 164 T CA 1.016 63.233 62.100 0.196 0.000 1.142 164 T CB -0.178 68.785 68.868 0.159 0.000 0.868 164 T HN -0.066 nan 8.240 nan 0.000 0.435 165 V N 1.089 121.116 119.914 0.189 0.000 2.380 165 V HA -0.170 3.957 4.120 0.013 0.000 0.251 165 V C 1.995 178.253 176.094 0.273 0.000 1.063 165 V CA 1.590 64.010 62.300 0.200 0.000 1.055 165 V CB -0.757 31.174 31.823 0.180 0.000 0.657 165 V HN 0.379 nan 8.190 nan 0.000 0.455 166 F N 0.055 120.139 119.950 0.224 0.000 2.113 166 F HA -0.120 4.414 4.527 0.012 0.000 0.297 166 F C 2.213 178.083 175.800 0.116 0.000 1.103 166 F CA 1.579 59.727 58.000 0.247 0.000 1.248 166 F CB -0.123 39.044 39.000 0.280 0.000 0.999 166 F HN 0.011 nan 8.300 nan 0.000 0.475 167 I N -0.240 120.563 120.570 0.389 0.000 2.226 167 I HA -0.340 3.838 4.170 0.013 0.000 0.245 167 I C 2.220 178.372 176.117 0.059 0.000 1.100 167 I CA 1.494 62.961 61.300 0.277 0.000 1.374 167 I CB -0.805 37.374 38.000 0.298 0.000 1.057 167 I HN 0.281 nan 8.210 nan 0.000 0.413 168 Q N 0.228 120.041 119.800 0.022 0.000 2.170 168 Q HA -0.260 4.088 4.340 0.013 0.000 0.203 168 Q C 2.049 177.964 176.000 -0.142 0.000 0.976 168 Q CA 1.473 57.226 55.803 -0.082 0.000 0.858 168 Q CB -0.037 28.678 28.738 -0.038 0.000 0.907 168 Q HN 0.334 nan 8.270 nan 0.000 0.433 169 E N 0.713 120.790 120.200 -0.205 0.000 2.072 169 E HA -0.130 4.228 4.350 0.013 0.000 0.191 169 E C 1.651 178.057 176.600 -0.324 0.000 0.985 169 E CA 0.943 57.093 56.400 -0.417 0.000 0.801 169 E CB -0.091 28.991 29.700 -1.029 0.000 0.750 169 E HN 0.302 nan 8.360 nan 0.000 0.452 170 L N -0.101 121.011 121.223 -0.185 0.000 2.056 170 L HA -0.093 4.255 4.340 0.013 0.000 0.207 170 L C 2.434 179.305 176.870 0.001 0.000 1.078 170 L CA 0.901 55.739 54.840 -0.003 0.000 0.749 170 L CB -0.372 41.843 42.059 0.259 0.000 0.901 170 L HN 0.177 nan 8.230 nan 0.000 0.433 171 I N 0.029 120.503 120.570 -0.160 0.000 2.286 171 I HA -0.283 3.895 4.170 0.013 0.000 0.248 171 I C 2.155 178.182 176.117 -0.149 0.000 1.115 171 I CA 1.177 62.299 61.300 -0.297 0.000 1.392 171 I CB -0.319 37.351 38.000 -0.550 0.000 1.065 171 I HN 0.298 nan 8.210 nan 0.000 0.418 172 N N 0.717 119.329 118.700 -0.146 0.000 2.244 172 N HA -0.143 4.605 4.740 0.013 0.000 0.183 172 N C 1.544 177.003 175.510 -0.085 0.000 1.016 172 N CA 1.146 54.127 53.050 -0.115 0.000 0.866 172 N CB 0.006 38.412 38.487 -0.136 0.000 0.980 172 N HN 0.272 nan 8.380 nan 0.000 0.430 173 N N -0.251 118.398 118.700 -0.085 0.000 2.245 173 N HA 0.088 4.836 4.740 0.013 0.000 0.185 173 N C 1.556 177.070 175.510 0.006 0.000 1.036 173 N CA 0.857 53.877 53.050 -0.051 0.000 0.857 173 N CB -0.053 38.388 38.487 -0.076 0.000 1.015 173 N HN 0.287 nan 8.380 nan 0.000 0.436 174 I N 0.729 121.326 120.570 0.044 0.000 2.852 174 I HA 0.068 4.246 4.170 0.013 0.000 0.264 174 I C 2.208 178.381 176.117 0.093 0.000 1.179 174 I CA 0.213 61.563 61.300 0.083 0.000 1.480 174 I CB -0.169 37.895 38.000 0.106 0.000 1.111 174 I HN -0.021 nan 8.210 nan 0.000 0.441 175 A N 1.658 124.527 122.820 0.081 0.000 1.858 175 A HA -0.218 4.110 4.320 0.013 0.000 0.216 175 A C 2.303 179.938 177.584 0.086 0.000 1.190 175 A CA 1.789 53.879 52.037 0.089 0.000 0.617 175 A CB -0.418 18.597 19.000 0.025 0.000 0.827 175 A HN 0.247 nan 8.150 nan 0.000 0.443 176 K N -0.294 120.135 120.400 0.049 0.000 2.025 176 K HA 0.072 4.399 4.320 0.013 0.000 0.207 176 K C 0.986 177.617 176.600 0.053 0.000 1.049 176 K CA 1.151 57.463 56.287 0.042 0.000 0.933 176 K CB -0.208 32.302 32.500 0.016 0.000 0.714 176 K HN 0.372 nan 8.250 nan 0.000 0.438 177 A N 0.618 123.474 122.820 0.059 0.000 3.000 177 A HA 0.175 4.503 4.320 0.013 0.000 0.315 177 A C -0.100 177.556 177.584 0.119 0.000 1.434 177 A CA -0.156 51.917 52.037 0.059 0.000 1.108 177 A CB -0.292 18.731 19.000 0.037 0.000 1.171 177 A HN 0.361 nan 8.150 nan 0.000 0.524 178 H N 0.438 119.504 119.070 -0.008 0.000 3.400 178 H HA 0.343 4.907 4.556 0.013 0.000 0.251 178 H C 1.545 176.839 175.328 -0.056 0.000 1.040 178 H CA 1.317 57.355 56.048 -0.017 0.000 1.175 178 H CB 0.728 30.491 29.762 0.001 0.000 1.487 178 H HN 0.896 nan 8.280 nan 0.000 0.505 179 G N 0.071 108.794 108.800 -0.128 0.000 3.444 179 G HA2 -0.339 3.628 3.960 0.013 0.000 0.222 179 G HA3 -0.339 3.628 3.960 0.013 0.000 0.222 179 G C 1.172 175.889 174.900 -0.305 0.000 1.358 179 G CA 0.508 45.478 45.100 -0.217 0.000 0.880 179 G HN 0.824 nan 8.290 nan 0.000 0.555 180 G N -0.071 108.518 108.800 -0.351 0.000 2.468 180 G HA2 0.496 4.463 3.960 0.013 0.000 0.264 180 G HA3 0.496 4.463 3.960 0.013 0.000 0.264 180 G C -0.322 174.380 174.900 -0.330 0.000 1.460 180 G CA 0.032 44.915 45.100 -0.361 0.000 1.060 180 G HN 0.541 nan 8.290 nan 0.000 0.543 181 F N -0.883 119.093 119.950 0.043 0.000 2.508 181 F HA 0.567 5.101 4.527 0.013 0.000 0.325 181 F C 0.542 176.254 175.800 -0.147 0.000 1.090 181 F CA -0.779 57.151 58.000 -0.116 0.000 0.945 181 F CB 2.281 41.032 39.000 -0.414 0.000 1.156 181 F HN 0.166 nan 8.300 nan 0.000 0.463 182 S N 1.214 116.984 115.700 0.117 0.000 2.549 182 S HA 0.751 5.229 4.470 0.013 0.000 0.297 182 S C -0.852 173.756 174.600 0.013 0.000 1.115 182 S CA -0.713 57.545 58.200 0.097 0.000 1.059 182 S CB 1.854 65.215 63.200 0.269 0.000 1.046 182 S HN 0.305 nan 8.310 nan 0.000 0.506 183 V N 3.371 123.297 119.914 0.021 0.000 2.444 183 V HA 0.433 4.561 4.120 0.013 0.000 0.294 183 V C -0.996 175.176 176.094 0.130 0.000 1.022 183 V CA -0.675 61.637 62.300 0.019 0.000 0.850 183 V CB 1.106 32.893 31.823 -0.059 0.000 0.992 183 V HN 0.839 nan 8.190 nan 0.000 0.426 184 F N 3.738 123.690 119.950 0.003 0.000 2.415 184 F HA 0.627 5.162 4.527 0.013 0.000 0.348 184 F C 0.430 176.107 175.800 -0.206 0.000 1.119 184 F CA 0.124 58.111 58.000 -0.021 0.000 1.069 184 F CB 1.425 40.395 39.000 -0.050 0.000 1.124 184 F HN 0.456 nan 8.300 nan 0.000 0.472 185 T N 4.991 119.104 114.554 -0.734 0.000 2.786 185 T HA 0.481 4.839 4.350 0.013 0.000 0.283 185 T C 0.073 174.358 174.700 -0.693 0.000 0.992 185 T CA -0.608 61.139 62.100 -0.589 0.000 0.954 185 T CB 1.174 69.830 68.868 -0.354 0.000 0.934 185 T HN 0.845 nan 8.240 nan 0.000 0.440 186 G N 1.990 110.567 108.800 -0.371 0.000 2.327 186 G HA2 0.534 4.502 3.960 0.013 0.000 0.302 186 G HA3 0.534 4.502 3.960 0.013 0.000 0.302 186 G C -0.619 174.351 174.900 0.117 0.000 1.113 186 G CA -0.398 44.797 45.100 0.157 0.000 0.921 186 G HN 0.656 nan 8.290 nan 0.000 0.425 187 V N 2.306 122.260 119.914 0.066 0.000 2.407 187 V HA 0.653 4.781 4.120 0.013 0.000 0.291 187 V C 0.995 177.141 176.094 0.087 0.000 1.018 187 V CA 0.159 62.496 62.300 0.062 0.000 0.842 187 V CB 0.896 32.733 31.823 0.022 0.000 0.996 187 V HN 1.466 nan 8.190 nan 0.000 0.426 188 G N 3.172 112.024 108.800 0.086 0.000 2.273 188 G HA2 -0.175 3.793 3.960 0.013 0.000 0.280 188 G HA3 -0.175 3.793 3.960 0.013 0.000 0.280 188 G C 0.053 174.991 174.900 0.064 0.000 1.047 188 G CA 0.451 45.586 45.100 0.058 0.000 0.869 188 G HN 0.608 nan 8.290 nan 0.000 0.502 189 E N -0.951 119.310 120.200 0.101 0.000 2.538 189 E HA 0.456 4.814 4.350 0.013 0.000 0.232 189 E C 0.621 177.262 176.600 0.068 0.000 0.830 189 E CA -1.006 55.453 56.400 0.098 0.000 0.916 189 E CB 0.756 30.554 29.700 0.163 0.000 1.567 189 E HN 0.338 nan 8.360 nan 0.000 0.389 190 R N 0.466 120.999 120.500 0.056 0.000 2.267 190 R HA 0.222 4.569 4.340 0.013 0.000 0.319 190 R C 1.058 177.334 176.300 -0.040 0.000 1.067 190 R CA 0.045 56.152 56.100 0.011 0.000 0.936 190 R CB 0.439 30.748 30.300 0.016 0.000 1.006 190 R HN 0.429 nan 8.270 nan 0.000 0.452 191 T N 2.365 116.879 114.554 -0.067 0.000 2.720 191 T HA -0.219 4.139 4.350 0.013 0.000 0.268 191 T C 1.792 176.394 174.700 -0.162 0.000 1.037 191 T CA 1.426 63.440 62.100 -0.143 0.000 1.144 191 T CB -0.143 68.662 68.868 -0.104 0.000 0.864 191 T HN 0.573 nan 8.240 nan 0.000 0.444 192 R N 1.229 121.677 120.500 -0.088 0.000 2.117 192 R HA -0.176 4.171 4.340 0.013 0.000 0.243 192 R C 2.110 178.367 176.300 -0.070 0.000 1.143 192 R CA 1.906 57.966 56.100 -0.066 0.000 0.968 192 R CB -0.237 30.045 30.300 -0.030 0.000 0.863 192 R HN 0.472 nan 8.270 nan 0.000 0.444 193 E N -0.761 119.404 120.200 -0.058 0.000 2.110 193 E HA -0.117 4.241 4.350 0.013 0.000 0.193 193 E C 1.875 178.421 176.600 -0.091 0.000 0.988 193 E CA 1.172 57.551 56.400 -0.035 0.000 0.804 193 E CB -0.241 29.478 29.700 0.031 0.000 0.745 193 E HN 0.628 nan 8.360 nan 0.000 0.458 194 G N 1.272 109.927 108.800 -0.241 0.000 2.440 194 G HA2 -0.335 3.633 3.960 0.013 0.000 0.218 194 G HA3 -0.335 3.633 3.960 0.013 0.000 0.218 194 G C 1.467 176.225 174.900 -0.236 0.000 1.154 194 G CA 0.804 45.596 45.100 -0.513 0.000 0.767 194 G HN 0.201 nan 8.290 nan 0.000 0.552 195 N N 0.924 119.524 118.700 -0.166 0.000 2.084 195 N HA -0.124 4.624 4.740 0.013 0.000 0.190 195 N C 1.631 177.139 175.510 -0.003 0.000 1.030 195 N CA 1.431 54.459 53.050 -0.037 0.000 0.849 195 N CB -0.277 38.184 38.487 -0.045 0.000 1.012 195 N HN 0.092 nan 8.380 nan 0.000 0.423 196 D N 0.717 121.098 120.400 -0.033 0.000 2.190 196 D HA -0.150 4.498 4.640 0.013 0.000 0.200 196 D C 1.855 178.130 176.300 -0.042 0.000 0.992 196 D CA 0.542 54.524 54.000 -0.031 0.000 0.854 196 D CB -0.032 40.753 40.800 -0.025 0.000 0.936 196 D HN 0.315 nan 8.370 nan 0.000 0.462 197 L N -0.998 120.198 121.223 -0.045 0.000 2.253 197 L HA -0.008 4.340 4.340 0.013 0.000 0.205 197 L C 2.024 178.904 176.870 0.017 0.000 1.078 197 L CA 0.680 55.475 54.840 -0.074 0.000 0.805 197 L CB -0.250 41.697 42.059 -0.187 0.000 0.963 197 L HN -0.082 nan 8.230 nan 0.000 0.459 198 Y N 0.419 120.688 120.300 -0.051 0.000 2.373 198 Y HA -0.140 4.418 4.550 0.013 0.000 0.293 198 Y C 2.679 178.564 175.900 -0.026 0.000 1.129 198 Y CA 1.598 59.691 58.100 -0.012 0.000 1.226 198 Y CB -0.202 38.268 38.460 0.016 0.000 1.000 198 Y HN 0.181 nan 8.280 nan 0.000 0.549 199 R N -0.051 120.383 120.500 -0.110 0.000 2.115 199 R HA -0.153 4.195 4.340 0.013 0.000 0.226 199 R C 2.017 178.231 176.300 -0.144 0.000 1.100 199 R CA 1.541 57.537 56.100 -0.174 0.000 0.980 199 R CB -0.082 30.164 30.300 -0.090 0.000 0.875 199 R HN 0.261 nan 8.270 nan 0.000 0.445 200 E N 0.723 120.862 120.200 -0.101 0.000 2.028 200 E HA -0.114 4.244 4.350 0.013 0.000 0.190 200 E C 1.939 178.484 176.600 -0.092 0.000 0.984 200 E CA 1.774 58.120 56.400 -0.091 0.000 0.800 200 E CB -0.064 29.582 29.700 -0.089 0.000 0.758 200 E HN 0.301 nan 8.360 nan 0.000 0.448 201 M N -0.131 119.419 119.600 -0.084 0.000 2.374 201 M HA -0.068 4.420 4.480 0.013 0.000 0.264 201 M C 2.103 178.359 176.300 -0.072 0.000 1.067 201 M CA 1.183 56.448 55.300 -0.058 0.000 1.103 201 M CB -0.354 32.239 32.600 -0.012 0.000 1.402 201 M HN -0.031 nan 8.290 nan 0.000 0.444 202 K N 1.070 121.383 120.400 -0.145 0.000 2.001 202 K HA -0.112 4.216 4.320 0.013 0.000 0.208 202 K C 1.922 178.456 176.600 -0.111 0.000 1.048 202 K CA 1.382 57.568 56.287 -0.170 0.000 0.932 202 K CB 0.013 32.326 32.500 -0.312 0.000 0.715 202 K HN 0.327 nan 8.250 nan 0.000 0.437 203 E N -0.440 119.694 120.200 -0.109 0.000 2.153 203 E HA -0.157 4.200 4.350 0.013 0.000 0.194 203 E C 1.856 178.421 176.600 -0.057 0.000 0.988 203 E CA 1.688 58.041 56.400 -0.079 0.000 0.811 203 E CB 0.026 29.681 29.700 -0.076 0.000 0.746 203 E HN 0.486 nan 8.360 nan 0.000 0.466 204 T N -3.546 110.975 114.554 -0.055 0.000 3.043 204 T HA 0.136 4.494 4.350 0.013 0.000 0.263 204 T C 1.603 176.287 174.700 -0.027 0.000 1.094 204 T CA 0.759 62.835 62.100 -0.040 0.000 1.127 204 T CB 0.512 69.354 68.868 -0.043 0.000 0.905 204 T HN 0.293 nan 8.240 nan 0.000 0.490 205 G N 0.263 109.046 108.800 -0.028 0.000 2.195 205 G HA2 -0.300 3.668 3.960 0.013 0.000 0.224 205 G HA3 -0.300 3.668 3.960 0.013 0.000 0.224 205 G C 0.948 175.853 174.900 0.008 0.000 0.990 205 G CA 0.125 45.218 45.100 -0.012 0.000 0.639 205 G HN 0.548 nan 8.290 nan 0.000 0.514 206 V N 0.669 120.588 119.914 0.008 0.000 2.568 206 V HA 0.087 4.215 4.120 0.013 0.000 0.253 206 V C 1.460 177.585 176.094 0.052 0.000 1.072 206 V CA 1.834 64.154 62.300 0.034 0.000 1.084 206 V CB -0.319 31.518 31.823 0.022 0.000 0.676 206 V HN 0.527 nan 8.190 nan 0.000 0.469 207 I N 0.646 121.235 120.570 0.032 0.000 2.410 207 I HA 0.345 4.522 4.170 0.013 0.000 0.286 207 I C -0.388 175.741 176.117 0.020 0.000 1.009 207 I CA -0.107 61.222 61.300 0.048 0.000 1.111 207 I CB 1.501 39.543 38.000 0.070 0.000 1.262 207 I HN 0.088 nan 8.210 nan 0.000 0.443 208 N N 5.287 124.008 118.700 0.035 0.000 2.407 208 N HA 0.425 5.173 4.740 0.013 0.000 0.277 208 N C 0.853 176.381 175.510 0.030 0.000 0.995 208 N CA -0.570 52.492 53.050 0.020 0.000 0.903 208 N CB 1.480 39.980 38.487 0.022 0.000 1.218 208 N HN 0.531 nan 8.380 nan 0.000 0.487 209 L N 2.238 123.472 121.223 0.017 0.000 1.951 209 L HA -0.225 4.123 4.340 0.013 0.000 0.222 209 L C 1.963 178.851 176.870 0.031 0.000 1.078 209 L CA 1.683 56.542 54.840 0.030 0.000 0.778 209 L CB -0.392 41.675 42.059 0.014 0.000 0.893 209 L HN 0.680 nan 8.230 nan 0.000 0.436 210 E N -0.284 119.928 120.200 0.020 0.000 2.046 210 E HA -0.058 4.300 4.350 0.013 0.000 0.190 210 E C 1.553 178.168 176.600 0.025 0.000 0.982 210 E CA 0.807 57.219 56.400 0.020 0.000 0.800 210 E CB -0.230 29.478 29.700 0.014 0.000 0.756 210 E HN 0.491 nan 8.360 nan 0.000 0.449 211 G N -0.037 108.778 108.800 0.025 0.000 2.608 211 G HA2 0.271 4.239 3.960 0.013 0.000 0.212 211 G HA3 0.271 4.239 3.960 0.013 0.000 0.212 211 G C -0.096 174.830 174.900 0.043 0.000 1.572 211 G CA 0.283 45.401 45.100 0.031 0.000 1.064 211 G HN 0.372 nan 8.290 nan 0.000 0.556 212 E N -1.452 118.780 120.200 0.053 0.000 2.227 212 E HA 0.681 5.039 4.350 0.013 0.000 0.268 212 E C -0.676 175.976 176.600 0.087 0.000 0.907 212 E CA -0.751 55.693 56.400 0.074 0.000 0.786 212 E CB 1.740 31.494 29.700 0.089 0.000 1.191 212 E HN 0.611 nan 8.360 nan 0.000 0.411 213 S N 0.453 116.215 115.700 0.103 0.000 2.542 213 S HA 0.455 4.933 4.470 0.013 0.000 0.293 213 S C 0.268 174.970 174.600 0.169 0.000 1.089 213 S CA -0.780 57.486 58.200 0.111 0.000 0.961 213 S CB 1.703 64.954 63.200 0.086 0.000 1.062 213 S HN 0.542 nan 8.310 nan 0.000 0.483 214 K N 0.273 120.791 120.400 0.197 0.000 2.354 214 K HA 0.262 4.590 4.320 0.013 0.000 0.194 214 K C 0.008 176.752 176.600 0.240 0.000 1.045 214 K CA 0.279 56.773 56.287 0.344 0.000 1.026 214 K CB 0.710 33.371 32.500 0.268 0.000 0.866 214 K HN 0.348 nan 8.250 nan 0.000 0.530 215 V N 1.008 120.994 119.914 0.121 0.000 2.540 215 V HA 0.637 4.765 4.120 0.013 0.000 0.302 215 V C -1.495 174.628 176.094 0.048 0.000 1.035 215 V CA -0.821 61.525 62.300 0.076 0.000 0.873 215 V CB 1.426 33.311 31.823 0.102 0.000 0.992 215 V HN 0.163 nan 8.190 nan 0.000 0.428 216 A N 7.325 130.149 122.820 0.006 0.000 2.301 216 A HA 0.856 5.184 4.320 0.013 0.000 0.312 216 A C -0.813 176.783 177.584 0.021 0.000 1.182 216 A CA -0.586 51.462 52.037 0.020 0.000 0.826 216 A CB 0.673 19.687 19.000 0.024 0.000 1.134 216 A HN 0.913 nan 8.150 nan 0.000 0.501 217 L N 2.411 123.637 121.223 0.006 0.000 2.329 217 L HA 0.665 5.013 4.340 0.013 0.000 0.279 217 L C -0.869 175.898 176.870 -0.172 0.000 1.014 217 L CA -0.875 53.918 54.840 -0.079 0.000 0.814 217 L CB 1.896 43.959 42.059 0.007 0.000 1.257 217 L HN 0.397 nan 8.230 nan 0.000 0.424 218 V N 2.787 122.483 119.914 -0.364 0.000 2.638 218 V HA 0.527 4.655 4.120 0.013 0.000 0.306 218 V C -0.978 174.835 176.094 -0.470 0.000 1.052 218 V CA -0.454 61.681 62.300 -0.274 0.000 0.885 218 V CB 1.979 33.700 31.823 -0.170 0.000 0.999 218 V HN 0.390 nan 8.190 nan 0.000 0.424 219 F N 1.796 121.766 119.950 0.032 0.000 2.556 219 F HA 0.802 5.336 4.527 0.013 0.000 0.314 219 F C 0.620 176.431 175.800 0.019 0.000 1.106 219 F CA -0.788 57.236 58.000 0.041 0.000 0.911 219 F CB 2.644 41.669 39.000 0.043 0.000 1.190 219 F HN 0.545 nan 8.300 nan 0.000 0.448 220 G N 3.304 112.254 108.800 0.250 0.000 4.079 220 G HA2 0.280 4.248 3.960 0.013 0.000 0.271 220 G HA3 0.280 4.248 3.960 0.013 0.000 0.271 220 G C -0.685 174.291 174.900 0.127 0.000 1.144 220 G CA -0.458 44.722 45.100 0.135 0.000 0.700 220 G HN 0.306 nan 8.290 nan 0.000 0.500 221 Q N 0.472 120.349 119.800 0.128 0.000 2.370 221 Q HA 0.266 4.614 4.340 0.013 0.000 0.186 221 Q C 2.016 178.047 176.000 0.051 0.000 1.093 221 Q CA -0.518 55.344 55.803 0.098 0.000 1.142 221 Q CB 0.556 29.328 28.738 0.056 0.000 1.175 221 Q HN 0.655 nan 8.270 nan 0.000 0.625 222 M N -0.400 119.220 119.600 0.034 0.000 2.618 222 M HA 0.029 4.517 4.480 0.013 0.000 0.240 222 M C 0.798 177.102 176.300 0.007 0.000 1.123 222 M CA 0.850 56.159 55.300 0.016 0.000 1.060 222 M CB -0.193 32.412 32.600 0.007 0.000 1.535 222 M HN 0.358 nan 8.290 nan 0.000 0.507 223 N N 0.465 119.169 118.700 0.007 0.000 2.416 223 N HA -0.028 4.720 4.740 0.013 0.000 0.177 223 N C -0.170 175.343 175.510 0.005 0.000 1.036 223 N CA 0.483 53.535 53.050 0.002 0.000 0.901 223 N CB -0.334 38.152 38.487 -0.002 0.000 0.976 223 N HN 0.431 nan 8.380 nan 0.000 0.444 224 E N 2.122 122.329 120.200 0.011 0.000 2.354 224 E HA 0.278 4.635 4.350 0.013 0.000 0.269 224 E C -2.111 174.492 176.600 0.006 0.000 1.036 224 E CA -1.955 54.453 56.400 0.013 0.000 0.876 224 E CB 0.280 29.995 29.700 0.024 0.000 1.009 224 E HN 0.218 nan 8.360 nan 0.000 0.416 225 P HA -0.034 nan 4.420 nan 0.000 0.269 225 P C -1.708 175.589 177.300 -0.005 0.000 1.217 225 P CA -0.812 62.288 63.100 -0.001 0.000 0.783 225 P CB -0.076 31.624 31.700 0.001 0.000 0.898 226 P HA -0.239 nan 4.420 nan 0.000 0.216 226 P C 1.515 178.801 177.300 -0.023 0.000 1.153 226 P CA 2.209 65.292 63.100 -0.028 0.000 0.858 226 P CB -0.638 31.040 31.700 -0.037 0.000 0.789 227 G N 0.884 109.679 108.800 -0.009 0.000 2.514 227 G HA2 -0.318 3.650 3.960 0.013 0.000 0.217 227 G HA3 -0.318 3.650 3.960 0.013 0.000 0.217 227 G C 1.906 176.815 174.900 0.016 0.000 1.198 227 G CA 1.773 46.876 45.100 0.005 0.000 0.780 227 G HN 0.388 nan 8.290 nan 0.000 0.565 228 A N 0.453 123.284 122.820 0.018 0.000 1.917 228 A HA -0.130 4.198 4.320 0.013 0.000 0.219 228 A C 2.453 180.055 177.584 0.029 0.000 1.182 228 A CA 2.043 54.095 52.037 0.025 0.000 0.633 228 A CB -0.457 18.558 19.000 0.025 0.000 0.819 228 A HN 0.404 nan 8.150 nan 0.000 0.448 229 R N -0.895 119.615 120.500 0.018 0.000 2.075 229 R HA -0.024 4.324 4.340 0.013 0.000 0.232 229 R C 2.558 178.884 176.300 0.042 0.000 1.126 229 R CA 1.119 57.232 56.100 0.022 0.000 0.963 229 R CB -0.442 29.856 30.300 -0.004 0.000 0.858 229 R HN 0.531 nan 8.270 nan 0.000 0.435 230 A N 1.194 124.020 122.820 0.009 0.000 1.865 230 A HA -0.175 4.153 4.320 0.013 0.000 0.217 230 A C 2.003 179.704 177.584 0.195 0.000 1.191 230 A CA 1.355 53.406 52.037 0.023 0.000 0.623 230 A CB -0.298 18.664 19.000 -0.064 0.000 0.826 230 A HN 0.125 nan 8.150 nan 0.000 0.444 231 R N -0.965 119.597 120.500 0.103 0.000 2.161 231 R HA 0.042 4.390 4.340 0.013 0.000 0.213 231 R C 1.974 178.285 176.300 0.017 0.000 1.055 231 R CA 0.982 57.121 56.100 0.066 0.000 0.996 231 R CB -1.306 29.019 30.300 0.042 0.000 0.901 231 R HN 0.406 nan 8.270 nan 0.000 0.456 232 V N 1.596 121.526 119.914 0.027 0.000 2.568 232 V HA -0.219 3.909 4.120 0.013 0.000 0.253 232 V C 2.138 178.202 176.094 -0.050 0.000 1.072 232 V CA 1.895 64.191 62.300 -0.006 0.000 1.084 232 V CB -0.407 31.425 31.823 0.016 0.000 0.676 232 V HN 0.320 nan 8.190 nan 0.000 0.469 233 A N -0.578 122.211 122.820 -0.051 0.000 1.968 233 A HA -0.009 4.319 4.320 0.013 0.000 0.217 233 A C 2.034 179.519 177.584 -0.166 0.000 1.169 233 A CA 1.434 53.387 52.037 -0.139 0.000 0.638 233 A CB -0.336 18.539 19.000 -0.209 0.000 0.812 233 A HN 0.574 nan 8.150 nan 0.000 0.446 234 L N -1.149 119.985 121.223 -0.148 0.000 2.217 234 L HA -0.092 4.256 4.340 0.013 0.000 0.211 234 L C 2.603 179.386 176.870 -0.145 0.000 1.107 234 L CA 1.447 56.181 54.840 -0.176 0.000 0.783 234 L CB -1.165 40.749 42.059 -0.243 0.000 0.919 234 L HN 0.262 nan 8.230 nan 0.000 0.442 235 T N 0.367 114.852 114.554 -0.115 0.000 2.701 235 T HA -0.110 4.248 4.350 0.013 0.000 0.263 235 T C 1.842 176.496 174.700 -0.076 0.000 1.040 235 T CA 1.626 63.675 62.100 -0.086 0.000 1.147 235 T CB -0.423 68.407 68.868 -0.064 0.000 0.865 235 T HN 0.543 nan 8.240 nan 0.000 0.426 236 G N 0.887 109.630 108.800 -0.094 0.000 2.498 236 G HA2 -0.094 3.874 3.960 0.013 0.000 0.219 236 G HA3 -0.094 3.874 3.960 0.013 0.000 0.219 236 G C 1.456 176.309 174.900 -0.079 0.000 1.119 236 G CA 0.443 45.485 45.100 -0.097 0.000 0.766 236 G HN 0.361 nan 8.290 nan 0.000 0.552 237 L N 0.686 121.854 121.223 -0.091 0.000 2.102 237 L HA 0.153 4.500 4.340 0.013 0.000 0.202 237 L C 2.742 179.598 176.870 -0.023 0.000 1.076 237 L CA 2.087 56.879 54.840 -0.079 0.000 0.761 237 L CB -1.119 40.867 42.059 -0.122 0.000 0.921 237 L HN 0.115 nan 8.230 nan 0.000 0.444 238 T N 0.337 114.873 114.554 -0.029 0.000 2.778 238 T HA -0.192 4.166 4.350 0.013 0.000 0.269 238 T C 2.013 176.750 174.700 0.061 0.000 1.050 238 T CA 2.086 64.188 62.100 0.004 0.000 1.137 238 T CB -0.304 68.549 68.868 -0.026 0.000 0.860 238 T HN 0.308 nan 8.240 nan 0.000 0.468 239 I N 1.011 121.623 120.570 0.069 0.000 2.233 239 I HA -0.121 4.057 4.170 0.013 0.000 0.243 239 I C 2.918 179.245 176.117 0.350 0.000 1.093 239 I CA 0.972 62.370 61.300 0.164 0.000 1.380 239 I CB -0.478 37.611 38.000 0.147 0.000 1.067 239 I HN 0.181 nan 8.210 nan 0.000 0.413 240 A N 0.584 123.536 122.820 0.221 0.000 1.940 240 A HA -0.250 4.078 4.320 0.013 0.000 0.219 240 A C 2.170 179.894 177.584 0.233 0.000 1.176 240 A CA 1.851 54.015 52.037 0.211 0.000 0.631 240 A CB -0.624 18.399 19.000 0.038 0.000 0.814 240 A HN 0.480 nan 8.150 nan 0.000 0.446 241 E N -2.024 118.266 120.200 0.150 0.000 2.150 241 E HA -0.182 4.176 4.350 0.013 0.000 0.193 241 E C 1.799 178.468 176.600 0.114 0.000 0.985 241 E CA 1.204 57.666 56.400 0.103 0.000 0.814 241 E CB -0.256 29.477 29.700 0.055 0.000 0.752 241 E HN 0.803 nan 8.360 nan 0.000 0.466 242 Y N 0.110 120.422 120.300 0.021 0.000 2.242 242 Y HA -0.207 4.350 4.550 0.013 0.000 0.291 242 Y C 1.682 177.516 175.900 -0.110 0.000 1.137 242 Y CA 1.343 59.390 58.100 -0.087 0.000 1.181 242 Y CB -0.068 38.272 38.460 -0.199 0.000 0.989 242 Y HN -0.053 nan 8.280 nan 0.000 0.527 243 F N -0.150 119.891 119.950 0.151 0.000 2.075 243 F HA -0.179 4.356 4.527 0.013 0.000 0.297 243 F C 2.738 178.565 175.800 0.045 0.000 1.113 243 F CA 1.956 60.033 58.000 0.129 0.000 1.218 243 F CB -0.821 38.293 39.000 0.190 0.000 0.984 243 F HN -0.139 nan 8.300 nan 0.000 0.472 244 R N 0.593 121.223 120.500 0.218 0.000 2.094 244 R HA -0.193 4.155 4.340 0.013 0.000 0.239 244 R C 1.620 177.926 176.300 0.010 0.000 1.137 244 R CA 2.319 58.475 56.100 0.094 0.000 0.943 244 R CB -0.520 29.815 30.300 0.059 0.000 0.850 244 R HN 0.231 nan 8.270 nan 0.000 0.433 245 D N 0.173 120.539 120.400 -0.056 0.000 2.129 245 D HA -0.111 4.537 4.640 0.013 0.000 0.220 245 D C 1.940 178.135 176.300 -0.174 0.000 0.988 245 D CA 1.132 55.062 54.000 -0.117 0.000 0.904 245 D CB -0.481 40.234 40.800 -0.142 0.000 1.018 245 D HN 0.297 nan 8.370 nan 0.000 0.444 246 E N 1.086 121.076 120.200 -0.350 0.000 2.204 246 E HA -0.122 4.236 4.350 0.013 0.000 0.194 246 E C 1.409 177.878 176.600 -0.217 0.000 0.989 246 E CA 0.715 56.901 56.400 -0.357 0.000 0.824 246 E CB -0.250 29.057 29.700 -0.654 0.000 0.756 246 E HN 0.513 nan 8.360 nan 0.000 0.477 247 E N 0.265 120.364 120.200 -0.168 0.000 2.474 247 E HA 0.120 4.478 4.350 0.013 0.000 0.195 247 E C 0.730 177.354 176.600 0.041 0.000 1.039 247 E CA 0.251 56.646 56.400 -0.008 0.000 0.881 247 E CB 0.326 30.085 29.700 0.097 0.000 0.970 247 E HN 0.298 nan 8.360 nan 0.000 0.486 248 G N 2.743 111.544 108.800 0.002 0.000 2.402 248 G HA2 -0.288 3.679 3.960 0.013 0.000 0.300 248 G HA3 -0.288 3.679 3.960 0.013 0.000 0.300 248 G C 0.249 175.173 174.900 0.041 0.000 0.987 248 G CA 0.513 45.618 45.100 0.010 0.000 0.881 248 G HN 0.139 nan 8.290 nan 0.000 0.512 249 Q N 0.310 120.172 119.800 0.104 0.000 2.327 249 Q HA 0.191 4.539 4.340 0.013 0.000 0.254 249 Q C 0.078 176.128 176.000 0.083 0.000 0.952 249 Q CA -0.129 55.750 55.803 0.127 0.000 0.884 249 Q CB 0.957 29.894 28.738 0.331 0.000 1.224 249 Q HN 0.410 nan 8.270 nan 0.000 0.422 250 D N 2.120 122.534 120.400 0.024 0.000 2.352 250 D HA 0.180 4.828 4.640 0.013 0.000 0.245 250 D C -0.626 175.763 176.300 0.148 0.000 1.224 250 D CA 0.015 54.045 54.000 0.051 0.000 0.879 250 D CB 0.889 41.671 40.800 -0.030 0.000 1.057 250 D HN 0.111 nan 8.370 nan 0.000 0.491 251 V N 4.096 124.086 119.914 0.126 0.000 2.483 251 V HA 0.375 4.503 4.120 0.013 0.000 0.295 251 V C 0.450 176.522 176.094 -0.037 0.000 1.035 251 V CA -0.854 61.490 62.300 0.073 0.000 0.896 251 V CB 2.026 33.879 31.823 0.051 0.000 0.986 251 V HN 0.331 nan 8.190 nan 0.000 0.447 252 L N 4.958 126.101 121.223 -0.133 0.000 2.272 252 L HA 0.540 4.888 4.340 0.013 0.000 0.289 252 L C -0.751 175.912 176.870 -0.347 0.000 1.032 252 L CA -0.499 54.132 54.840 -0.349 0.000 0.810 252 L CB 1.554 43.379 42.059 -0.390 0.000 1.205 252 L HN 0.498 nan 8.230 nan 0.000 0.422 253 L N 4.774 125.709 121.223 -0.479 0.000 2.319 253 L HA 0.562 4.910 4.340 0.013 0.000 0.281 253 L C -1.200 175.345 176.870 -0.542 0.000 1.005 253 L CA 0.080 54.695 54.840 -0.374 0.000 0.828 253 L CB 0.910 42.828 42.059 -0.235 0.000 1.227 253 L HN 0.183 nan 8.230 nan 0.000 0.415 254 F N 5.803 125.666 119.950 -0.145 0.000 2.421 254 F HA 0.625 5.160 4.527 0.013 0.000 0.337 254 F C 0.059 175.572 175.800 -0.478 0.000 1.105 254 F CA -0.495 57.393 58.000 -0.187 0.000 1.049 254 F CB 1.399 40.433 39.000 0.056 0.000 1.139 254 F HN 0.236 nan 8.300 nan 0.000 0.479 255 I N 2.684 123.096 120.570 -0.264 0.000 2.468 255 I HA 0.241 4.419 4.170 0.013 0.000 0.285 255 I C -1.331 174.636 176.117 -0.250 0.000 1.039 255 I CA -0.399 60.671 61.300 -0.382 0.000 1.074 255 I CB 1.738 39.575 38.000 -0.272 0.000 1.228 255 I HN 0.457 nan 8.210 nan 0.000 0.436 256 D N 6.502 126.727 120.400 -0.291 0.000 2.440 256 D HA 0.283 4.931 4.640 0.013 0.000 0.252 256 D C -1.380 174.942 176.300 0.036 0.000 1.180 256 D CA -0.221 53.777 54.000 -0.003 0.000 0.894 256 D CB 1.102 42.046 40.800 0.241 0.000 1.111 256 D HN 0.397 nan 8.370 nan 0.000 0.544 257 N N 4.143 122.871 118.700 0.047 0.000 2.260 257 N HA 0.153 4.900 4.740 0.013 0.000 0.293 257 N C 0.316 175.857 175.510 0.052 0.000 1.058 257 N CA -0.527 52.557 53.050 0.057 0.000 0.824 257 N CB 1.661 40.225 38.487 0.128 0.000 1.551 257 N HN 0.252 nan 8.380 nan 0.000 0.475 258 I N 3.344 123.921 120.570 0.012 0.000 2.676 258 I HA -0.003 4.175 4.170 0.013 0.000 0.259 258 I C 1.670 177.867 176.117 0.134 0.000 1.194 258 I CA 0.648 61.951 61.300 0.006 0.000 1.473 258 I CB -0.570 37.368 38.000 -0.103 0.000 1.096 258 I HN 0.634 nan 8.210 nan 0.000 0.443 259 F N 1.452 121.429 119.950 0.044 0.000 2.161 259 F HA -0.223 4.313 4.527 0.014 0.000 0.300 259 F C 2.339 178.220 175.800 0.135 0.000 1.089 259 F CA 1.481 59.547 58.000 0.111 0.000 1.282 259 F CB -0.360 38.738 39.000 0.163 0.000 1.010 259 F HN -0.049 nan 8.300 nan 0.000 0.485 260 R N 0.142 120.641 120.500 -0.002 0.000 2.159 260 R HA -0.228 4.120 4.340 0.013 0.000 0.237 260 R C 2.191 178.415 176.300 -0.127 0.000 1.131 260 R CA 1.572 57.603 56.100 -0.116 0.000 0.982 260 R CB -1.791 28.525 30.300 0.027 0.000 0.868 260 R HN 0.526 nan 8.270 nan 0.000 0.453 261 F N 1.630 121.477 119.950 -0.171 0.000 2.102 261 F HA -0.191 4.344 4.527 0.013 0.000 0.298 261 F C 1.956 177.662 175.800 -0.157 0.000 1.105 261 F CA 1.821 59.739 58.000 -0.136 0.000 1.239 261 F CB -0.475 38.459 39.000 -0.110 0.000 0.991 261 F HN -0.129 nan 8.300 nan 0.000 0.474 262 T N 0.139 114.450 114.554 -0.404 0.000 2.857 262 T HA -0.190 4.168 4.350 0.013 0.000 0.266 262 T C 1.871 176.344 174.700 -0.378 0.000 1.048 262 T CA 1.351 63.170 62.100 -0.469 0.000 1.139 262 T CB -0.361 68.400 68.868 -0.178 0.000 0.874 262 T HN 0.447 nan 8.240 nan 0.000 0.455 263 Q N 0.763 120.245 119.800 -0.530 0.000 2.061 263 Q HA -0.122 4.226 4.340 0.013 0.000 0.204 263 Q C 2.491 178.354 176.000 -0.228 0.000 0.984 263 Q CA 1.571 57.141 55.803 -0.389 0.000 0.846 263 Q CB -0.296 28.114 28.738 -0.546 0.000 0.902 263 Q HN 0.539 nan 8.270 nan 0.000 0.421 264 A N 0.334 123.006 122.820 -0.246 0.000 1.933 264 A HA -0.118 4.210 4.320 0.013 0.000 0.218 264 A C 2.254 179.727 177.584 -0.184 0.000 1.175 264 A CA 1.568 53.499 52.037 -0.176 0.000 0.628 264 A CB -1.281 17.628 19.000 -0.152 0.000 0.814 264 A HN 0.612 nan 8.150 nan 0.000 0.444 265 G N -0.060 108.573 108.800 -0.279 0.000 2.450 265 G HA2 -0.231 3.737 3.960 0.013 0.000 0.220 265 G HA3 -0.231 3.737 3.960 0.013 0.000 0.220 265 G C 1.922 176.753 174.900 -0.115 0.000 1.130 265 G CA 1.813 46.774 45.100 -0.231 0.000 0.760 265 G HN 0.905 nan 8.290 nan 0.000 0.557 266 S N 0.014 115.664 115.700 -0.083 0.000 2.470 266 S HA 0.069 4.546 4.470 0.013 0.000 0.225 266 S C 1.875 176.438 174.600 -0.063 0.000 1.006 266 S CA 1.137 59.313 58.200 -0.040 0.000 0.934 266 S CB -0.096 63.078 63.200 -0.044 0.000 0.778 266 S HN 0.524 nan 8.310 nan 0.000 0.517 267 E N 0.858 121.013 120.200 -0.074 0.000 2.204 267 E HA -0.072 4.286 4.350 0.013 0.000 0.194 267 E C 1.945 178.519 176.600 -0.045 0.000 0.989 267 E CA 1.424 57.789 56.400 -0.059 0.000 0.824 267 E CB -0.087 29.578 29.700 -0.058 0.000 0.756 267 E HN 0.723 nan 8.360 nan 0.000 0.477 268 V N -3.588 116.298 119.914 -0.046 0.000 3.523 268 V HA 0.114 4.241 4.120 0.013 0.000 0.255 268 V C 2.060 178.140 176.094 -0.024 0.000 1.226 268 V CA 0.552 62.832 62.300 -0.032 0.000 1.092 268 V CB 0.554 32.357 31.823 -0.034 0.000 0.817 268 V HN 0.040 nan 8.190 nan 0.000 0.458 269 S N 1.503 117.187 115.700 -0.027 0.000 2.372 269 S HA -0.257 4.220 4.470 0.013 0.000 0.227 269 S C 2.202 176.797 174.600 -0.008 0.000 1.044 269 S CA 2.461 60.652 58.200 -0.014 0.000 1.050 269 S CB -0.561 62.635 63.200 -0.007 0.000 0.901 269 S HN 1.014 nan 8.310 nan 0.000 0.447 270 A N 1.305 124.118 122.820 -0.012 0.000 1.865 270 A HA -0.037 4.291 4.320 0.013 0.000 0.217 270 A C 2.124 179.705 177.584 -0.005 0.000 1.191 270 A CA 1.711 53.742 52.037 -0.009 0.000 0.623 270 A CB -0.907 18.084 19.000 -0.015 0.000 0.826 270 A HN 0.593 nan 8.150 nan 0.000 0.444 271 L N -0.715 120.503 121.223 -0.008 0.000 2.456 271 L HA -0.047 4.301 4.340 0.013 0.000 0.224 271 L C 1.756 178.626 176.870 0.001 0.000 1.148 271 L CA 0.353 55.190 54.840 -0.004 0.000 0.825 271 L CB -0.346 41.709 42.059 -0.006 0.000 0.937 271 L HN 0.343 nan 8.230 nan 0.000 0.450 272 L N -0.729 120.495 121.223 0.001 0.000 2.592 272 L HA 0.214 4.562 4.340 0.013 0.000 0.227 272 L C 1.519 178.395 176.870 0.010 0.000 1.127 272 L CA 0.550 55.394 54.840 0.007 0.000 0.884 272 L CB -0.025 42.038 42.059 0.006 0.000 1.065 272 L HN 0.429 nan 8.230 nan 0.000 0.457 273 G N 0.335 109.139 108.800 0.008 0.000 2.176 273 G HA2 -0.259 3.709 3.960 0.013 0.000 0.232 273 G HA3 -0.259 3.709 3.960 0.013 0.000 0.232 273 G C 0.281 175.187 174.900 0.010 0.000 0.986 273 G CA -0.344 44.761 45.100 0.010 0.000 0.643 273 G HN 0.281 nan 8.290 nan 0.000 0.522 274 R N -0.097 120.409 120.500 0.010 0.000 2.641 274 R HA 0.625 4.973 4.340 0.013 0.000 0.269 274 R C 0.818 177.126 176.300 0.012 0.000 1.074 274 R CA -0.233 55.874 56.100 0.012 0.000 1.133 274 R CB 0.643 30.951 30.300 0.014 0.000 1.029 274 R HN 0.315 nan 8.270 nan 0.000 0.488 275 I N 4.499 125.078 120.570 0.015 0.000 2.395 275 I HA 0.177 4.355 4.170 0.013 0.000 0.289 275 I C -1.686 174.444 176.117 0.022 0.000 1.023 275 I CA -1.993 59.316 61.300 0.016 0.000 1.350 275 I CB 1.131 39.140 38.000 0.016 0.000 1.409 275 I HN 0.348 nan 8.210 nan 0.000 0.507 276 P HA 0.062 nan 4.420 nan 0.000 0.271 276 P C -0.310 177.016 177.300 0.043 0.000 1.220 276 P CA -0.074 63.044 63.100 0.030 0.000 0.768 276 P CB 1.090 32.800 31.700 0.017 0.000 0.848 277 S N 2.083 117.822 115.700 0.065 0.000 2.640 277 S HA 0.494 4.972 4.470 0.013 0.000 0.262 277 S C 0.287 174.944 174.600 0.094 0.000 1.232 277 S CA -0.289 57.957 58.200 0.076 0.000 0.988 277 S CB 0.057 63.310 63.200 0.089 0.000 1.034 277 S HN 0.616 nan 8.310 nan 0.000 0.569 278 A N 0.543 123.422 122.820 0.099 0.000 2.616 278 A HA 0.186 4.514 4.320 0.013 0.000 0.234 278 A C 1.203 178.887 177.584 0.166 0.000 1.024 278 A CA 0.599 52.704 52.037 0.113 0.000 0.758 278 A CB -0.994 18.071 19.000 0.109 0.000 0.939 278 A HN 1.769 nan 8.150 nan 0.000 0.510 279 V N 0.871 120.855 119.914 0.116 0.000 2.956 279 V HA -0.320 3.808 4.120 0.013 0.000 0.165 279 V C 1.919 177.993 176.094 -0.033 0.000 0.450 279 V CA 1.830 64.183 62.300 0.088 0.000 1.165 279 V CB -2.504 29.437 31.823 0.196 0.000 1.346 279 V HN 3.002 nan 8.190 nan 0.000 1.106 280 G N -2.903 105.893 108.800 -0.006 0.000 2.176 280 G HA2 -0.324 3.644 3.960 0.013 0.000 0.253 280 G HA3 -0.324 3.644 3.960 0.013 0.000 0.253 280 G C -0.179 174.670 174.900 -0.085 0.000 0.979 280 G CA 0.274 45.333 45.100 -0.068 0.000 0.641 280 G HN 0.858 nan 8.290 nan 0.000 0.530 281 Y N 1.776 122.093 120.300 0.030 0.000 2.299 281 Y HA 0.429 4.987 4.550 0.013 0.000 0.335 281 Y C 1.375 177.279 175.900 0.006 0.000 1.287 281 Y CA -0.172 57.939 58.100 0.019 0.000 1.424 281 Y CB 0.522 39.005 38.460 0.039 0.000 1.326 281 Y HN 0.398 nan 8.280 nan 0.000 0.567 282 Q N 2.699 122.618 119.800 0.199 0.000 2.330 282 Q HA 0.046 4.394 4.340 0.013 0.000 0.279 282 Q C -2.353 173.699 176.000 0.085 0.000 1.024 282 Q CA -1.463 54.396 55.803 0.094 0.000 0.900 282 Q CB 0.522 29.287 28.738 0.046 0.000 1.221 282 Q HN 0.400 nan 8.270 nan 0.000 0.396 283 P HA -0.129 nan 4.420 nan 0.000 0.219 283 P C 0.974 178.298 177.300 0.040 0.000 1.146 283 P CA 1.899 65.028 63.100 0.048 0.000 0.808 283 P CB -0.016 31.706 31.700 0.036 0.000 0.779 284 T N -4.136 110.439 114.554 0.035 0.000 3.188 284 T HA 0.130 4.488 4.350 0.013 0.000 0.250 284 T C 1.484 176.205 174.700 0.035 0.000 1.077 284 T CA -0.281 61.839 62.100 0.033 0.000 0.967 284 T CB -1.073 67.812 68.868 0.027 0.000 1.006 284 T HN 0.003 nan 8.240 nan 0.000 0.552 285 L N 1.162 122.401 121.223 0.028 0.000 2.034 285 L HA -0.160 4.187 4.340 0.013 0.000 0.217 285 L C 2.743 179.641 176.870 0.046 0.000 1.077 285 L CA 2.190 57.034 54.840 0.007 0.000 0.769 285 L CB -0.780 41.248 42.059 -0.052 0.000 0.890 285 L HN 0.377 nan 8.230 nan 0.000 0.435 286 A N -0.621 122.232 122.820 0.055 0.000 1.873 286 A HA -0.204 4.123 4.320 0.013 0.000 0.215 286 A C 2.365 180.017 177.584 0.113 0.000 1.186 286 A CA 2.330 54.422 52.037 0.091 0.000 0.616 286 A CB -1.268 17.775 19.000 0.071 0.000 0.823 286 A HN 0.667 nan 8.150 nan 0.000 0.442 287 T N -2.007 112.599 114.554 0.087 0.000 2.812 287 T HA -0.123 4.235 4.350 0.013 0.000 0.264 287 T C 1.363 176.123 174.700 0.100 0.000 1.042 287 T CA 1.356 63.507 62.100 0.085 0.000 1.140 287 T CB -0.562 68.343 68.868 0.061 0.000 0.870 287 T HN 0.346 nan 8.240 nan 0.000 0.445 288 D N 1.162 121.629 120.400 0.111 0.000 2.133 288 D HA -0.129 4.519 4.640 0.013 0.000 0.192 288 D C 1.940 178.395 176.300 0.257 0.000 1.001 288 D CA 1.278 55.385 54.000 0.180 0.000 0.844 288 D CB -0.437 40.441 40.800 0.129 0.000 0.944 288 D HN 0.402 nan 8.370 nan 0.000 0.447 289 M N 0.227 119.957 119.600 0.217 0.000 2.200 289 M HA -0.036 4.452 4.480 0.013 0.000 0.265 289 M C 2.042 178.301 176.300 -0.069 0.000 1.066 289 M CA 1.748 57.123 55.300 0.125 0.000 1.127 289 M CB -0.087 32.605 32.600 0.152 0.000 1.379 289 M HN 0.039 nan 8.290 nan 0.000 0.420 290 G N 0.648 109.477 108.800 0.048 0.000 2.421 290 G HA2 -0.193 3.775 3.960 0.013 0.000 0.216 290 G HA3 -0.193 3.775 3.960 0.013 0.000 0.216 290 G C 1.395 176.287 174.900 -0.013 0.000 1.171 290 G CA 0.636 45.768 45.100 0.053 0.000 0.775 290 G HN 0.439 nan 8.290 nan 0.000 0.543 291 L N -0.244 120.990 121.223 0.019 0.000 2.191 291 L HA -0.035 4.312 4.340 0.013 0.000 0.212 291 L C 2.624 179.462 176.870 -0.053 0.000 1.103 291 L CA 0.479 55.327 54.840 0.013 0.000 0.769 291 L CB -0.281 41.817 42.059 0.064 0.000 0.908 291 L HN 0.292 nan 8.230 nan 0.000 0.438 292 L N -1.020 120.123 121.223 -0.134 0.000 2.116 292 L HA -0.074 4.274 4.340 0.013 0.000 0.200 292 L C 2.487 179.181 176.870 -0.293 0.000 1.084 292 L CA 1.551 56.219 54.840 -0.287 0.000 0.766 292 L CB -0.995 40.689 42.059 -0.625 0.000 0.930 292 L HN 0.038 nan 8.230 nan 0.000 0.453 293 Q N 0.610 120.188 119.800 -0.371 0.000 2.082 293 Q HA -0.247 4.101 4.340 0.013 0.000 0.211 293 Q C 2.151 178.022 176.000 -0.216 0.000 1.002 293 Q CA 2.175 57.739 55.803 -0.398 0.000 0.868 293 Q CB -0.579 27.643 28.738 -0.859 0.000 0.931 293 Q HN 0.614 nan 8.270 nan 0.000 0.414 294 E N -0.081 120.037 120.200 -0.136 0.000 2.333 294 E HA -0.140 4.218 4.350 0.013 0.000 0.198 294 E C 1.926 178.501 176.600 -0.043 0.000 1.007 294 E CA 0.473 56.851 56.400 -0.036 0.000 0.845 294 E CB -0.067 29.642 29.700 0.016 0.000 0.766 294 E HN 0.329 nan 8.360 nan 0.000 0.507 295 R N 0.238 120.694 120.500 -0.073 0.000 2.193 295 R HA 0.107 4.455 4.340 0.013 0.000 0.213 295 R C 1.113 177.370 176.300 -0.073 0.000 1.055 295 R CA 0.309 56.371 56.100 -0.063 0.000 0.995 295 R CB 0.114 30.371 30.300 -0.072 0.000 0.893 295 R HN 0.084 nan 8.270 nan 0.000 0.459 296 I N 1.632 122.140 120.570 -0.103 0.000 2.204 296 I HA 0.063 4.241 4.170 0.013 0.000 0.291 296 I C 0.122 176.190 176.117 -0.082 0.000 1.153 296 I CA 0.066 61.301 61.300 -0.107 0.000 1.546 296 I CB 0.237 38.146 38.000 -0.151 0.000 1.490 296 I HN -0.078 nan 8.210 nan 0.000 0.697 297 T N 1.916 116.435 114.554 -0.058 0.000 2.864 297 T HA 0.355 4.713 4.350 0.013 0.000 0.299 297 T C -0.267 174.411 174.700 -0.038 0.000 1.166 297 T CA -0.315 61.760 62.100 -0.043 0.000 1.007 297 T CB 1.985 70.837 68.868 -0.027 0.000 1.219 297 T HN 0.195 nan 8.240 nan 0.000 0.506 298 T N 3.357 117.890 114.554 -0.035 0.000 2.749 298 T HA 0.552 4.909 4.350 0.013 0.000 0.295 298 T C 0.492 175.171 174.700 -0.034 0.000 0.936 298 T CA -0.324 61.758 62.100 -0.030 0.000 1.060 298 T CB 0.539 69.391 68.868 -0.027 0.000 0.904 298 T HN 0.861 nan 8.240 nan 0.000 0.500 299 T N 0.892 115.427 114.554 -0.032 0.000 2.844 299 T HA 0.478 4.836 4.350 0.013 0.000 0.274 299 T C 1.230 175.905 174.700 -0.041 0.000 0.991 299 T CA -0.963 61.112 62.100 -0.041 0.000 0.983 299 T CB 1.265 70.110 68.868 -0.037 0.000 1.310 299 T HN 0.354 nan 8.240 nan 0.000 0.596 300 K N -0.166 120.206 120.400 -0.047 0.000 2.217 300 K HA 0.054 4.382 4.320 0.013 0.000 0.202 300 K C 2.186 178.765 176.600 -0.035 0.000 1.051 300 K CA 0.810 57.071 56.287 -0.044 0.000 0.952 300 K CB -0.059 32.411 32.500 -0.050 0.000 0.736 300 K HN 0.471 nan 8.250 nan 0.000 0.453 301 K N -0.154 120.226 120.400 -0.034 0.000 2.305 301 K HA 0.004 4.332 4.320 0.013 0.000 0.199 301 K C 0.347 176.932 176.600 -0.024 0.000 1.047 301 K CA 0.532 56.800 56.287 -0.032 0.000 0.976 301 K CB 0.527 33.003 32.500 -0.040 0.000 0.765 301 K HN 0.217 nan 8.250 nan 0.000 0.474 302 G N -1.145 107.643 108.800 -0.019 0.000 2.356 302 G HA2 0.175 4.143 3.960 0.013 0.000 0.294 302 G HA3 0.175 4.143 3.960 0.013 0.000 0.294 302 G C -1.716 173.183 174.900 -0.002 0.000 1.423 302 G CA -0.680 44.417 45.100 -0.005 0.000 0.806 302 G HN -0.093 nan 8.290 nan 0.000 0.527 303 S N -1.238 114.467 115.700 0.010 0.000 2.454 303 S HA 0.708 5.186 4.470 0.013 0.000 0.306 303 S C -0.609 173.998 174.600 0.011 0.000 1.100 303 S CA -0.489 57.715 58.200 0.007 0.000 1.087 303 S CB 1.391 64.598 63.200 0.011 0.000 1.019 303 S HN 0.986 nan 8.310 nan 0.000 0.480 304 V N 4.672 124.576 119.914 -0.015 0.000 2.409 304 V HA 0.411 4.539 4.120 0.013 0.000 0.290 304 V C -0.261 175.783 176.094 -0.084 0.000 1.017 304 V CA -0.751 61.522 62.300 -0.045 0.000 0.841 304 V CB 1.659 33.450 31.823 -0.053 0.000 1.003 304 V HN 0.883 nan 8.190 nan 0.000 0.426 305 T N 3.592 118.073 114.554 -0.121 0.000 2.744 305 T HA 0.525 4.882 4.350 0.013 0.000 0.291 305 T C 0.087 174.612 174.700 -0.292 0.000 0.957 305 T CA -0.439 61.555 62.100 -0.177 0.000 1.002 305 T CB 0.998 69.762 68.868 -0.174 0.000 0.919 305 T HN 0.778 nan 8.240 nan 0.000 0.468 306 S N 1.933 117.465 115.700 -0.281 0.000 2.605 306 S HA 0.619 5.097 4.470 0.013 0.000 0.308 306 S C -0.454 173.951 174.600 -0.325 0.000 1.113 306 S CA -0.891 57.110 58.200 -0.330 0.000 1.049 306 S CB 1.140 64.195 63.200 -0.243 0.000 1.001 306 S HN 0.427 nan 8.310 nan 0.000 0.480 307 V N 3.302 122.991 119.914 -0.374 0.000 2.427 307 V HA 0.477 4.604 4.120 0.013 0.000 0.286 307 V C -0.235 175.775 176.094 -0.140 0.000 1.034 307 V CA -0.436 61.737 62.300 -0.211 0.000 0.893 307 V CB 1.258 33.061 31.823 -0.033 0.000 0.982 307 V HN 0.937 nan 8.190 nan 0.000 0.452 308 Q N 2.716 122.430 119.800 -0.144 0.000 2.309 308 Q HA 0.665 5.013 4.340 0.013 0.000 0.270 308 Q C -0.351 175.560 176.000 -0.149 0.000 1.023 308 Q CA -0.523 55.188 55.803 -0.154 0.000 0.758 308 Q CB 2.234 30.852 28.738 -0.200 0.000 1.247 308 Q HN 0.933 nan 8.270 nan 0.000 0.455 309 A N 2.391 125.162 122.820 -0.081 0.000 2.450 309 A HA 0.440 4.767 4.320 0.013 0.000 0.255 309 A C -0.292 177.213 177.584 -0.131 0.000 1.096 309 A CA -0.181 51.817 52.037 -0.064 0.000 0.778 309 A CB 0.368 19.394 19.000 0.043 0.000 1.031 309 A HN 0.492 nan 8.150 nan 0.000 0.494 310 V N 4.028 123.794 119.914 -0.247 0.000 2.380 310 V HA 0.173 4.301 4.120 0.013 0.000 0.286 310 V C -0.534 175.462 176.094 -0.164 0.000 1.015 310 V CA -0.530 61.575 62.300 -0.326 0.000 0.834 310 V CB 0.589 31.816 31.823 -0.994 0.000 1.009 310 V HN 0.815 nan 8.190 nan 0.000 0.428 311 Y N 4.879 125.110 120.300 -0.116 0.000 2.411 311 Y HA 0.437 4.995 4.550 0.013 0.000 0.333 311 Y C 0.050 175.728 175.900 -0.370 0.000 1.186 311 Y CA 0.101 58.080 58.100 -0.202 0.000 1.381 311 Y CB 1.207 39.566 38.460 -0.168 0.000 1.273 311 Y HN 0.408 nan 8.280 nan 0.000 0.546 312 V N 8.775 128.133 119.914 -0.927 0.000 2.304 312 V HA 0.289 4.417 4.120 0.013 0.000 0.278 312 V C -2.305 173.259 176.094 -0.884 0.000 1.018 312 V CA -2.154 59.757 62.300 -0.648 0.000 0.814 312 V CB 0.908 32.564 31.823 -0.279 0.000 1.021 312 V HN 0.711 nan 8.190 nan 0.000 0.440 313 P HA 0.169 nan 4.420 nan 0.000 0.263 313 P C 0.663 177.883 177.300 -0.135 0.000 1.195 313 P CA 0.693 63.649 63.100 -0.240 0.000 0.762 313 P CB 0.757 32.455 31.700 -0.004 0.000 0.799 314 A N 3.943 126.719 122.820 -0.073 0.000 2.816 314 A HA -0.257 4.071 4.320 0.013 0.000 0.270 314 A C 0.801 178.346 177.584 -0.065 0.000 1.413 314 A CA 1.169 53.187 52.037 -0.033 0.000 0.866 314 A CB -2.636 16.369 19.000 0.008 0.000 1.032 314 A HN 0.586 nan 8.150 nan 0.000 0.642 315 D N -1.666 118.653 120.400 -0.135 0.000 2.837 315 D HA -0.176 4.472 4.640 0.013 0.000 0.230 315 D C -0.284 175.976 176.300 -0.066 0.000 1.152 315 D CA 2.133 56.067 54.000 -0.111 0.000 0.736 315 D CB -1.178 39.582 40.800 -0.066 0.000 1.084 315 D HN 0.989 nan 8.370 nan 0.000 0.429 316 D N 0.132 120.497 120.400 -0.058 0.000 2.454 316 D HA 0.258 4.906 4.640 0.013 0.000 0.225 316 D C 1.169 177.478 176.300 0.015 0.000 1.081 316 D CA -0.501 53.492 54.000 -0.012 0.000 0.864 316 D CB 0.312 41.119 40.800 0.011 0.000 1.040 316 D HN 0.099 nan 8.370 nan 0.000 0.517 317 L N 2.693 123.932 121.223 0.028 0.000 2.622 317 L HA 0.003 4.351 4.340 0.013 0.000 0.233 317 L C 1.912 178.839 176.870 0.094 0.000 1.156 317 L CA 0.991 55.886 54.840 0.092 0.000 0.866 317 L CB -0.258 41.844 42.059 0.072 0.000 0.980 317 L HN 0.512 nan 8.230 nan 0.000 0.448 318 T N -5.589 108.996 114.554 0.052 0.000 3.060 318 T HA -0.021 4.336 4.350 0.013 0.000 0.249 318 T C 0.751 175.501 174.700 0.083 0.000 1.079 318 T CA -0.481 61.648 62.100 0.048 0.000 1.013 318 T CB -0.140 68.736 68.868 0.013 0.000 0.975 318 T HN 0.178 nan 8.240 nan 0.000 0.518 319 D N 2.934 123.398 120.400 0.107 0.000 2.533 319 D HA 0.011 4.659 4.640 0.013 0.000 0.236 319 D C -1.436 174.941 176.300 0.128 0.000 1.137 319 D CA -1.223 52.871 54.000 0.156 0.000 0.867 319 D CB 1.439 42.348 40.800 0.182 0.000 1.170 319 D HN 0.019 nan 8.370 nan 0.000 0.474 320 P HA -0.231 nan 4.420 nan 0.000 0.218 320 P C 0.890 178.145 177.300 -0.076 0.000 1.154 320 P CA 2.128 65.201 63.100 -0.046 0.000 0.872 320 P CB 0.121 31.713 31.700 -0.181 0.000 0.790 321 A N -0.046 122.687 122.820 -0.144 0.000 1.828 321 A HA -0.128 4.200 4.320 0.013 0.000 0.215 321 A C -0.035 177.663 177.584 0.189 0.000 1.203 321 A CA 2.367 54.415 52.037 0.019 0.000 0.614 321 A CB -2.276 16.887 19.000 0.271 0.000 0.844 321 A HN 0.206 nan 8.150 nan 0.000 0.445 322 P HA -0.122 nan 4.420 nan 0.000 0.217 322 P C 1.590 179.127 177.300 0.396 0.000 1.150 322 P CA 2.033 65.313 63.100 0.300 0.000 0.832 322 P CB -0.215 31.671 31.700 0.310 0.000 0.787 323 A N -0.051 122.990 122.820 0.368 0.000 1.902 323 A HA -0.130 4.197 4.320 0.013 0.000 0.217 323 A C 2.271 180.063 177.584 0.346 0.000 1.181 323 A CA 2.316 54.604 52.037 0.418 0.000 0.623 323 A CB -1.938 17.175 19.000 0.189 0.000 0.818 323 A HN 0.189 nan 8.150 nan 0.000 0.443 324 T N -0.117 114.563 114.554 0.210 0.000 3.007 324 T HA -0.071 4.287 4.350 0.013 0.000 0.270 324 T C 1.776 176.615 174.700 0.232 0.000 1.107 324 T CA 1.680 63.881 62.100 0.167 0.000 1.118 324 T CB -0.370 68.563 68.868 0.109 0.000 0.889 324 T HN 0.564 nan 8.240 nan 0.000 0.506 325 T N 1.556 116.268 114.554 0.263 0.000 2.857 325 T HA 0.055 4.413 4.350 0.013 0.000 0.266 325 T C 1.494 176.346 174.700 0.254 0.000 1.048 325 T CA 0.595 62.848 62.100 0.256 0.000 1.139 325 T CB -0.449 68.490 68.868 0.119 0.000 0.874 325 T HN 0.300 nan 8.240 nan 0.000 0.455 326 F N 2.219 122.315 119.950 0.243 0.000 2.045 326 F HA -0.219 4.316 4.527 0.013 0.000 0.297 326 F C 2.723 178.553 175.800 0.051 0.000 1.114 326 F CA 1.391 59.465 58.000 0.125 0.000 1.207 326 F CB -0.892 38.084 39.000 -0.040 0.000 0.964 326 F HN 0.143 nan 8.300 nan 0.000 0.486 327 A N -1.500 121.408 122.820 0.146 0.000 2.131 327 A HA -0.195 4.133 4.320 0.013 0.000 0.220 327 A C 1.687 179.221 177.584 -0.083 0.000 1.158 327 A CA 1.465 53.491 52.037 -0.019 0.000 0.665 327 A CB -0.983 17.944 19.000 -0.122 0.000 0.795 327 A HN 0.519 nan 8.150 nan 0.000 0.460 328 H N -1.076 118.044 119.070 0.085 0.000 2.547 328 H HA 0.268 4.832 4.556 0.013 0.000 0.266 328 H C -0.176 175.167 175.328 0.024 0.000 0.988 328 H CA 0.406 56.477 56.048 0.039 0.000 1.147 328 H CB -0.039 29.731 29.762 0.012 0.000 1.365 328 H HN 0.366 nan 8.280 nan 0.000 0.589 329 L N 0.523 121.831 121.223 0.142 0.000 2.334 329 L HA 0.217 4.565 4.340 0.013 0.000 0.276 329 L C 0.858 177.775 176.870 0.077 0.000 1.014 329 L CA -0.614 54.282 54.840 0.093 0.000 0.815 329 L CB 2.061 44.185 42.059 0.108 0.000 1.268 329 L HN -0.136 nan 8.230 nan 0.000 0.428 330 D N 1.544 121.971 120.400 0.046 0.000 2.289 330 D HA 0.121 4.769 4.640 0.013 0.000 0.207 330 D C 0.405 176.744 176.300 0.066 0.000 0.966 330 D CA 0.651 54.680 54.000 0.047 0.000 0.868 330 D CB 0.766 41.583 40.800 0.028 0.000 0.943 330 D HN 0.540 nan 8.370 nan 0.000 0.514 331 A N 0.578 123.435 122.820 0.062 0.000 2.455 331 A HA 0.557 4.885 4.320 0.013 0.000 0.300 331 A C -0.515 177.141 177.584 0.120 0.000 1.040 331 A CA -0.634 51.468 52.037 0.108 0.000 0.697 331 A CB 1.591 20.679 19.000 0.148 0.000 1.265 331 A HN -0.018 nan 8.150 nan 0.000 0.407 332 T N -0.363 114.289 114.554 0.164 0.000 2.840 332 T HA 0.657 5.015 4.350 0.013 0.000 0.287 332 T C -0.372 174.437 174.700 0.181 0.000 0.991 332 T CA -0.417 61.800 62.100 0.195 0.000 0.964 332 T CB 0.927 69.902 68.868 0.178 0.000 0.954 332 T HN 0.846 nan 8.240 nan 0.000 0.438 333 T N 1.298 115.962 114.554 0.184 0.000 2.743 333 T HA 0.554 4.912 4.350 0.013 0.000 0.292 333 T C 0.017 174.779 174.700 0.103 0.000 0.972 333 T CA -0.765 61.393 62.100 0.098 0.000 0.967 333 T CB 0.889 69.751 68.868 -0.010 0.000 0.926 333 T HN 0.584 nan 8.240 nan 0.000 0.459 334 V N 5.404 125.364 119.914 0.078 0.000 2.350 334 V HA 0.323 4.451 4.120 0.013 0.000 0.276 334 V C 0.237 176.358 176.094 0.045 0.000 1.028 334 V CA -0.858 61.494 62.300 0.087 0.000 0.860 334 V CB 0.848 32.694 31.823 0.039 0.000 0.990 334 V HN 0.812 nan 8.190 nan 0.000 0.453 335 L N 4.051 125.304 121.223 0.050 0.000 2.326 335 L HA 0.541 4.889 4.340 0.013 0.000 0.278 335 L C 0.454 177.336 176.870 0.020 0.000 1.092 335 L CA 0.176 55.034 54.840 0.030 0.000 0.810 335 L CB 1.653 43.736 42.059 0.040 0.000 1.153 335 L HN 0.696 nan 8.230 nan 0.000 0.439 336 S N 2.477 118.177 115.700 0.000 0.000 2.500 336 S HA 0.336 4.814 4.470 0.013 0.000 0.301 336 S C 0.704 175.288 174.600 -0.025 0.000 1.092 336 S CA -0.768 57.422 58.200 -0.016 0.000 1.030 336 S CB 1.961 65.144 63.200 -0.027 0.000 1.031 336 S HN 0.736 nan 8.310 nan 0.000 0.483 337 R N 3.432 123.919 120.500 -0.021 0.000 2.070 337 R HA -0.017 4.331 4.340 0.013 0.000 0.233 337 R C 2.171 178.452 176.300 -0.033 0.000 1.137 337 R CA 2.122 58.211 56.100 -0.018 0.000 0.945 337 R CB -1.265 29.027 30.300 -0.012 0.000 0.845 337 R HN 0.855 nan 8.270 nan 0.000 0.430 338 G N 1.598 110.377 108.800 -0.034 0.000 2.513 338 G HA2 -0.298 3.669 3.960 0.013 0.000 0.219 338 G HA3 -0.298 3.669 3.960 0.013 0.000 0.219 338 G C 1.503 176.371 174.900 -0.053 0.000 1.160 338 G CA 1.360 46.436 45.100 -0.039 0.000 0.767 338 G HN 0.315 nan 8.290 nan 0.000 0.571 339 I N 1.546 122.077 120.570 -0.064 0.000 2.076 339 I HA -0.239 3.939 4.170 0.013 0.000 0.237 339 I C 3.251 179.272 176.117 -0.161 0.000 1.059 339 I CA 1.829 63.077 61.300 -0.087 0.000 1.317 339 I CB -0.752 37.202 38.000 -0.077 0.000 1.037 339 I HN 0.406 nan 8.210 nan 0.000 0.398 340 S N 0.566 116.138 115.700 -0.213 0.000 2.420 340 S HA -0.248 4.229 4.470 0.013 0.000 0.237 340 S C 1.637 176.081 174.600 -0.260 0.000 1.023 340 S CA 1.503 59.456 58.200 -0.411 0.000 0.991 340 S CB -0.681 62.386 63.200 -0.221 0.000 0.792 340 S HN 0.513 nan 8.310 nan 0.000 0.488 341 E N 0.613 120.751 120.200 -0.104 0.000 2.478 341 E HA 0.135 4.493 4.350 0.013 0.000 0.198 341 E C 1.103 177.688 176.600 -0.024 0.000 1.046 341 E CA 0.388 56.769 56.400 -0.032 0.000 0.870 341 E CB -0.191 29.503 29.700 -0.010 0.000 0.818 341 E HN 0.608 nan 8.360 nan 0.000 0.527 342 L N -0.173 121.019 121.223 -0.053 0.000 2.629 342 L HA 0.198 4.546 4.340 0.013 0.000 0.230 342 L C 1.070 177.956 176.870 0.026 0.000 1.151 342 L CA 0.009 54.845 54.840 -0.006 0.000 0.924 342 L CB -0.071 41.991 42.059 0.005 0.000 1.137 342 L HN 0.147 nan 8.230 nan 0.000 0.457 343 G N 1.373 110.159 108.800 -0.024 0.000 2.273 343 G HA2 -0.256 3.711 3.960 0.013 0.000 0.280 343 G HA3 -0.256 3.711 3.960 0.013 0.000 0.280 343 G C 0.087 174.968 174.900 -0.032 0.000 1.047 343 G CA -0.167 44.971 45.100 0.063 0.000 0.869 343 G HN 0.217 nan 8.290 nan 0.000 0.502 344 I N 0.661 121.038 120.570 -0.321 0.000 2.306 344 I HA 0.451 4.629 4.170 0.013 0.000 0.288 344 I C -0.194 175.600 176.117 -0.539 0.000 1.036 344 I CA -1.181 59.945 61.300 -0.290 0.000 1.221 344 I CB 0.049 37.959 38.000 -0.150 0.000 1.385 344 I HN 0.099 nan 8.210 nan 0.000 0.472 345 Y N 6.988 127.195 120.300 -0.155 0.000 2.425 345 Y HA 0.459 5.017 4.550 0.013 0.000 0.344 345 Y C -2.090 173.584 175.900 -0.377 0.000 0.969 345 Y CA -2.681 55.290 58.100 -0.214 0.000 1.052 345 Y CB 1.739 40.071 38.460 -0.214 0.000 1.215 345 Y HN 0.399 nan 8.280 nan 0.000 0.451 346 P HA 0.066 nan 4.420 nan 0.000 0.269 346 P C -0.399 176.923 177.300 0.036 0.000 1.209 346 P CA -0.131 62.965 63.100 -0.007 0.000 0.776 346 P CB 1.019 32.847 31.700 0.212 0.000 0.876 347 A N 3.331 126.189 122.820 0.063 0.000 3.117 347 A HA 0.245 4.573 4.320 0.013 0.000 0.255 347 A C 0.387 177.980 177.584 0.015 0.000 1.583 347 A CA -0.349 51.654 52.037 -0.056 0.000 1.234 347 A CB -1.104 17.836 19.000 -0.100 0.000 1.076 347 A HN 0.357 nan 8.150 nan 0.000 0.653 348 V N 1.404 121.349 119.914 0.052 0.000 2.488 348 V HA 0.060 4.188 4.120 0.013 0.000 0.277 348 V C 0.334 176.438 176.094 0.017 0.000 1.046 348 V CA -0.587 61.746 62.300 0.054 0.000 0.986 348 V CB 1.158 33.045 31.823 0.107 0.000 0.989 348 V HN 0.620 nan 8.190 nan 0.000 0.475 349 D N 8.465 128.869 120.400 0.007 0.000 2.342 349 D HA 0.113 4.761 4.640 0.013 0.000 0.260 349 D C -1.248 175.048 176.300 -0.007 0.000 1.278 349 D CA -1.840 52.156 54.000 -0.007 0.000 0.910 349 D CB 1.649 42.440 40.800 -0.015 0.000 1.079 349 D HN 0.298 nan 8.370 nan 0.000 0.496 350 P HA -0.013 nan 4.420 nan 0.000 0.241 350 P C 0.799 178.078 177.300 -0.036 0.000 1.191 350 P CA 0.413 63.498 63.100 -0.025 0.000 0.771 350 P CB 0.342 32.022 31.700 -0.032 0.000 0.929 351 L N -0.640 120.563 121.223 -0.034 0.000 3.017 351 L HA 0.337 4.685 4.340 0.013 0.000 0.255 351 L C 0.747 177.588 176.870 -0.049 0.000 1.247 351 L CA 0.258 55.072 54.840 -0.043 0.000 1.038 351 L CB 0.118 42.152 42.059 -0.042 0.000 1.380 351 L HN -0.133 nan 8.230 nan 0.000 0.548 352 D N -1.493 118.883 120.400 -0.041 0.000 2.411 352 D HA 0.035 4.683 4.640 0.013 0.000 0.374 352 D C 0.147 176.433 176.300 -0.024 0.000 1.187 352 D CA 0.201 54.169 54.000 -0.053 0.000 0.928 352 D CB 0.826 41.591 40.800 -0.057 0.000 1.402 352 D HN -0.095 nan 8.370 nan 0.000 0.478 353 S N 0.572 116.271 115.700 -0.001 0.000 2.525 353 S HA 0.636 5.114 4.470 0.013 0.000 0.278 353 S C -0.243 174.377 174.600 0.033 0.000 1.234 353 S CA -0.338 57.883 58.200 0.036 0.000 1.058 353 S CB 1.800 65.028 63.200 0.046 0.000 0.983 353 S HN 0.050 nan 8.310 nan 0.000 0.495 354 K N 1.112 121.550 120.400 0.063 0.000 2.482 354 K HA 0.674 5.001 4.320 0.013 0.000 0.257 354 K C -1.150 175.502 176.600 0.087 0.000 0.969 354 K CA -0.615 55.704 56.287 0.054 0.000 0.842 354 K CB 2.175 34.694 32.500 0.032 0.000 1.359 354 K HN 0.473 nan 8.250 nan 0.000 0.441 355 S N 0.390 116.133 115.700 0.072 0.000 2.548 355 S HA 0.260 4.738 4.470 0.013 0.000 0.276 355 S C 0.321 174.962 174.600 0.068 0.000 1.129 355 S CA -0.758 57.494 58.200 0.087 0.000 0.931 355 S CB 1.805 65.062 63.200 0.095 0.000 1.068 355 S HN 0.712 nan 8.310 nan 0.000 0.480 356 R N 2.375 122.915 120.500 0.067 0.000 2.091 356 R HA 0.006 4.354 4.340 0.013 0.000 0.238 356 R C 1.235 177.567 176.300 0.054 0.000 1.136 356 R CA 1.602 57.735 56.100 0.054 0.000 0.959 356 R CB -0.295 30.035 30.300 0.050 0.000 0.856 356 R HN 0.696 nan 8.270 nan 0.000 0.437 357 L N 1.092 122.353 121.223 0.064 0.000 2.552 357 L HA 0.015 4.363 4.340 0.013 0.000 0.227 357 L C 0.525 177.429 176.870 0.056 0.000 1.146 357 L CA -0.312 54.565 54.840 0.061 0.000 0.858 357 L CB -0.167 41.938 42.059 0.077 0.000 0.969 357 L HN 0.172 nan 8.230 nan 0.000 0.451 358 L N 1.900 123.159 121.223 0.059 0.000 2.536 358 L HA 0.174 4.522 4.340 0.013 0.000 0.282 358 L C -0.589 176.375 176.870 0.156 0.000 1.174 358 L CA 0.676 55.557 54.840 0.069 0.000 0.989 358 L CB -0.579 41.501 42.059 0.036 0.000 1.311 358 L HN 0.034 nan 8.230 nan 0.000 0.455 359 D N 2.450 122.914 120.400 0.108 0.000 2.878 359 D HA 0.339 4.986 4.640 0.013 0.000 0.211 359 D C 0.532 176.784 176.300 -0.080 0.000 1.271 359 D CA 0.100 54.081 54.000 -0.033 0.000 0.845 359 D CB 1.660 42.440 40.800 -0.034 0.000 1.679 359 D HN 0.308 nan 8.370 nan 0.000 0.536 360 A N 3.002 125.652 122.820 -0.283 0.000 1.978 360 A HA 0.075 4.403 4.320 0.013 0.000 0.220 360 A C 1.905 179.451 177.584 -0.065 0.000 1.170 360 A CA 1.951 53.893 52.037 -0.160 0.000 0.636 360 A CB -0.635 18.210 19.000 -0.260 0.000 0.810 360 A HN 0.760 nan 8.150 nan 0.000 0.448 361 A N -1.162 121.611 122.820 -0.078 0.000 2.255 361 A HA 0.354 4.681 4.320 0.013 0.000 0.206 361 A C 1.437 179.018 177.584 -0.004 0.000 1.193 361 A CA 1.300 53.316 52.037 -0.035 0.000 0.794 361 A CB -0.270 18.705 19.000 -0.042 0.000 0.794 361 A HN 0.429 nan 8.150 nan 0.000 0.481 362 V N -1.863 118.058 119.914 0.012 0.000 3.165 362 V HA -0.016 4.112 4.120 0.013 0.000 0.231 362 V C 1.781 177.919 176.094 0.073 0.000 1.365 362 V CA 1.069 63.392 62.300 0.038 0.000 1.286 362 V CB 0.677 32.524 31.823 0.039 0.000 1.081 362 V HN 0.448 nan 8.190 nan 0.000 0.477 363 V N -1.614 118.355 119.914 0.093 0.000 3.605 363 V HA 0.797 4.925 4.120 0.013 0.000 0.284 363 V C 0.782 176.997 176.094 0.203 0.000 1.386 363 V CA 0.241 62.655 62.300 0.190 0.000 1.053 363 V CB -0.243 31.704 31.823 0.208 0.000 0.857 363 V HN 0.990 nan 8.190 nan 0.000 0.436 364 G N 0.805 109.678 108.800 0.122 0.000 2.721 364 G HA2 -0.210 3.758 3.960 0.013 0.000 0.686 364 G HA3 -0.210 3.758 3.960 0.013 0.000 0.686 364 G C -0.129 174.853 174.900 0.137 0.000 1.236 364 G CA 0.288 45.455 45.100 0.111 0.000 0.786 364 G HN 0.435 nan 8.290 nan 0.000 0.616 365 Q N -0.087 119.772 119.800 0.098 0.000 2.124 365 Q HA -0.047 4.300 4.340 0.013 0.000 0.202 365 Q C 2.405 178.506 176.000 0.169 0.000 0.977 365 Q CA 2.552 58.425 55.803 0.116 0.000 0.850 365 Q CB -0.146 28.633 28.738 0.068 0.000 0.901 365 Q HN 0.783 nan 8.270 nan 0.000 0.429 366 E N -1.169 119.120 120.200 0.149 0.000 2.051 366 E HA -0.278 4.079 4.350 0.013 0.000 0.192 366 E C 1.807 178.531 176.600 0.206 0.000 0.991 366 E CA 1.213 57.703 56.400 0.149 0.000 0.799 366 E CB -0.158 29.612 29.700 0.118 0.000 0.748 366 E HN 0.479 nan 8.360 nan 0.000 0.449 367 H N -0.216 118.915 119.070 0.101 0.000 2.290 367 H HA -0.209 4.355 4.556 0.012 0.000 0.298 367 H C 1.856 177.242 175.328 0.097 0.000 1.087 367 H CA 2.164 58.268 56.048 0.092 0.000 1.291 367 H CB -0.845 28.971 29.762 0.090 0.000 1.369 367 H HN 0.267 nan 8.280 nan 0.000 0.492 368 Y N 1.600 121.900 120.300 0.001 0.000 2.081 368 Y HA -0.260 4.299 4.550 0.014 0.000 0.280 368 Y C 2.231 178.123 175.900 -0.014 0.000 1.163 368 Y CA 2.349 60.403 58.100 -0.076 0.000 1.135 368 Y CB -0.407 38.024 38.460 -0.049 0.000 0.970 368 Y HN 0.289 nan 8.280 nan 0.000 0.498 369 D N -0.731 119.758 120.400 0.150 0.000 2.123 369 D HA -0.188 4.460 4.640 0.013 0.000 0.196 369 D C 2.411 178.715 176.300 0.007 0.000 0.992 369 D CA 1.688 55.734 54.000 0.076 0.000 0.833 369 D CB -0.637 40.233 40.800 0.116 0.000 0.954 369 D HN 0.312 nan 8.370 nan 0.000 0.455 370 V N 1.550 121.495 119.914 0.053 0.000 2.237 370 V HA -0.239 3.889 4.120 0.013 0.000 0.245 370 V C 2.607 178.689 176.094 -0.020 0.000 1.046 370 V CA 1.854 64.191 62.300 0.061 0.000 1.007 370 V CB -1.011 30.897 31.823 0.141 0.000 0.638 370 V HN 0.200 nan 8.190 nan 0.000 0.445 371 A N -0.424 122.358 122.820 -0.063 0.000 1.927 371 A HA -0.295 4.033 4.320 0.013 0.000 0.220 371 A C 2.469 179.922 177.584 -0.219 0.000 1.185 371 A CA 2.736 54.671 52.037 -0.170 0.000 0.639 371 A CB -0.818 18.031 19.000 -0.251 0.000 0.820 371 A HN 0.514 nan 8.150 nan 0.000 0.451 372 S N -1.037 114.494 115.700 -0.282 0.000 2.395 372 S HA -0.058 4.419 4.470 0.013 0.000 0.225 372 S C 1.954 176.476 174.600 -0.129 0.000 1.027 372 S CA 1.397 59.438 58.200 -0.264 0.000 0.965 372 S CB -0.133 62.849 63.200 -0.363 0.000 0.812 372 S HN 0.639 nan 8.310 nan 0.000 0.482 373 K N 0.722 121.074 120.400 -0.080 0.000 2.062 373 K HA 0.025 4.353 4.320 0.013 0.000 0.205 373 K C 1.989 178.575 176.600 -0.022 0.000 1.051 373 K CA 0.817 57.087 56.287 -0.029 0.000 0.941 373 K CB -0.309 32.194 32.500 0.004 0.000 0.719 373 K HN 0.092 nan 8.250 nan 0.000 0.440 374 V N 1.930 121.826 119.914 -0.031 0.000 2.282 374 V HA -0.333 3.795 4.120 0.013 0.000 0.249 374 V C 2.291 178.356 176.094 -0.049 0.000 1.057 374 V CA 1.837 64.117 62.300 -0.035 0.000 1.032 374 V CB -0.442 31.316 31.823 -0.108 0.000 0.645 374 V HN 0.392 nan 8.190 nan 0.000 0.447 375 Q N -0.689 119.063 119.800 -0.080 0.000 2.084 375 Q HA -0.247 4.101 4.340 0.013 0.000 0.202 375 Q C 2.289 178.264 176.000 -0.042 0.000 0.978 375 Q CA 1.843 57.603 55.803 -0.072 0.000 0.844 375 Q CB -0.183 28.492 28.738 -0.104 0.000 0.898 375 Q HN 0.726 nan 8.270 nan 0.000 0.426 376 E N -0.137 120.039 120.200 -0.040 0.000 2.085 376 E HA -0.161 4.197 4.350 0.013 0.000 0.194 376 E C 2.056 178.656 176.600 -0.000 0.000 0.994 376 E CA 1.609 57.997 56.400 -0.019 0.000 0.801 376 E CB -0.065 29.625 29.700 -0.017 0.000 0.743 376 E HN 0.283 nan 8.360 nan 0.000 0.453 377 T N 1.703 116.259 114.554 0.003 0.000 2.652 377 T HA -0.157 4.201 4.350 0.013 0.000 0.267 377 T C 1.978 176.703 174.700 0.042 0.000 1.039 377 T CA 0.983 63.092 62.100 0.016 0.000 1.153 377 T CB -0.312 68.562 68.868 0.011 0.000 0.863 377 T HN 0.081 nan 8.240 nan 0.000 0.428 378 L N 0.797 122.045 121.223 0.042 0.000 2.042 378 L HA -0.171 4.177 4.340 0.013 0.000 0.210 378 L C 2.916 179.836 176.870 0.083 0.000 1.076 378 L CA 1.320 56.209 54.840 0.081 0.000 0.749 378 L CB -0.551 41.535 42.059 0.044 0.000 0.893 378 L HN 0.251 nan 8.230 nan 0.000 0.432 379 Q N 0.039 119.859 119.800 0.034 0.000 2.096 379 Q HA -0.178 4.169 4.340 0.013 0.000 0.204 379 Q C 2.014 178.034 176.000 0.032 0.000 0.982 379 Q CA 2.507 58.319 55.803 0.015 0.000 0.850 379 Q CB -0.445 28.290 28.738 -0.005 0.000 0.901 379 Q HN 0.399 nan 8.270 nan 0.000 0.422 380 T N 0.011 114.596 114.554 0.051 0.000 2.684 380 T HA -0.182 4.175 4.350 0.013 0.000 0.267 380 T C 1.288 176.060 174.700 0.120 0.000 1.036 380 T CA 1.437 63.575 62.100 0.063 0.000 1.148 380 T CB -0.669 68.230 68.868 0.051 0.000 0.863 380 T HN 0.375 nan 8.240 nan 0.000 0.436 381 Y N 2.229 122.520 120.300 -0.015 0.000 2.165 381 Y HA -0.106 4.458 4.550 0.022 0.000 0.286 381 Y C 2.389 178.280 175.900 -0.015 0.000 1.155 381 Y CA 1.137 59.229 58.100 -0.013 0.000 1.164 381 Y CB -0.509 37.943 38.460 -0.013 0.000 0.978 381 Y HN 0.101 nan 8.280 nan 0.000 0.513 382 K N -0.517 119.852 120.400 -0.051 0.000 1.985 382 K HA -0.155 4.172 4.320 0.013 0.000 0.210 382 K C 2.208 178.749 176.600 -0.097 0.000 1.047 382 K CA 1.892 58.093 56.287 -0.142 0.000 0.932 382 K CB -0.323 32.127 32.500 -0.083 0.000 0.716 382 K HN 0.220 nan 8.250 nan 0.000 0.439 383 S N 0.856 116.532 115.700 -0.040 0.000 2.440 383 S HA -0.113 4.365 4.470 0.013 0.000 0.240 383 S C 1.648 176.236 174.600 -0.021 0.000 1.014 383 S CA 1.037 59.221 58.200 -0.027 0.000 0.980 383 S CB -0.132 63.063 63.200 -0.008 0.000 0.775 383 S HN 0.278 nan 8.310 nan 0.000 0.499 384 L N 0.657 121.874 121.223 -0.010 0.000 2.463 384 L HA 0.051 4.399 4.340 0.013 0.000 0.219 384 L C 2.343 179.199 176.870 -0.023 0.000 1.088 384 L CA 0.126 54.975 54.840 0.014 0.000 0.849 384 L CB -0.349 41.760 42.059 0.084 0.000 1.012 384 L HN 0.148 nan 8.230 nan 0.000 0.468 385 Q N 0.552 120.281 119.800 -0.118 0.000 2.142 385 Q HA -0.311 4.037 4.340 0.013 0.000 0.213 385 Q C 1.533 177.488 176.000 -0.076 0.000 1.004 385 Q CA 2.072 57.773 55.803 -0.169 0.000 0.883 385 Q CB -0.587 27.997 28.738 -0.256 0.000 0.939 385 Q HN 0.484 nan 8.270 nan 0.000 0.413 386 D N 0.169 120.534 120.400 -0.059 0.000 2.104 386 D HA -0.091 4.557 4.640 0.013 0.000 0.194 386 D C 2.018 178.308 176.300 -0.016 0.000 0.994 386 D CA 0.744 54.723 54.000 -0.035 0.000 0.830 386 D CB -0.271 40.510 40.800 -0.032 0.000 0.959 386 D HN 0.238 nan 8.370 nan 0.000 0.452 387 I N 0.565 121.131 120.570 -0.007 0.000 2.353 387 I HA -0.195 3.983 4.170 0.013 0.000 0.248 387 I C 1.868 177.997 176.117 0.019 0.000 1.119 387 I CA 0.314 61.618 61.300 0.007 0.000 1.417 387 I CB 0.156 38.162 38.000 0.010 0.000 1.078 387 I HN -0.024 nan 8.210 nan 0.000 0.421 388 I N 0.931 121.521 120.570 0.032 0.000 2.226 388 I HA -0.252 3.926 4.170 0.013 0.000 0.245 388 I C 2.755 178.894 176.117 0.037 0.000 1.100 388 I CA 1.722 63.055 61.300 0.056 0.000 1.374 388 I CB -1.935 36.135 38.000 0.116 0.000 1.057 388 I HN 0.168 nan 8.210 nan 0.000 0.413 389 A N 0.992 123.822 122.820 0.017 0.000 1.929 389 A HA -0.058 4.270 4.320 0.013 0.000 0.216 389 A C 2.266 179.855 177.584 0.008 0.000 1.176 389 A CA 0.929 52.971 52.037 0.010 0.000 0.628 389 A CB -0.353 18.643 19.000 -0.007 0.000 0.816 389 A HN 0.235 nan 8.150 nan 0.000 0.444 390 I N -0.341 120.232 120.570 0.005 0.000 2.162 390 I HA -0.098 4.080 4.170 0.013 0.000 0.238 390 I C 2.018 178.140 176.117 0.008 0.000 1.076 390 I CA 1.373 62.675 61.300 0.004 0.000 1.353 390 I CB -1.235 36.765 38.000 0.001 0.000 1.063 390 I HN 0.240 nan 8.210 nan 0.000 0.408 391 L N -0.360 120.870 121.223 0.011 0.000 2.640 391 L HA 0.366 4.714 4.340 0.013 0.000 0.230 391 L C 0.975 177.854 176.870 0.016 0.000 1.123 391 L CA 0.128 54.975 54.840 0.012 0.000 0.900 391 L CB -0.155 41.911 42.059 0.011 0.000 1.146 391 L HN 0.437 nan 8.230 nan 0.000 0.484 392 G N 0.023 108.836 108.800 0.022 0.000 2.828 392 G HA2 -0.266 3.702 3.960 0.013 0.000 0.463 392 G HA3 -0.266 3.702 3.960 0.013 0.000 0.463 392 G C 0.380 175.297 174.900 0.029 0.000 1.394 392 G CA -0.222 44.894 45.100 0.026 0.000 0.862 392 G HN -0.107 nan 8.290 nan 0.000 0.540 393 M N 0.050 119.667 119.600 0.028 0.000 2.254 393 M HA -0.016 4.471 4.480 0.013 0.000 0.265 393 M C 2.039 178.349 176.300 0.017 0.000 1.066 393 M CA 1.877 57.192 55.300 0.025 0.000 1.123 393 M CB -1.145 31.466 32.600 0.018 0.000 1.388 393 M HN 0.621 nan 8.290 nan 0.000 0.425 394 D N 0.835 121.244 120.400 0.014 0.000 2.190 394 D HA -0.148 4.500 4.640 0.013 0.000 0.200 394 D C 1.040 177.346 176.300 0.010 0.000 0.992 394 D CA 1.061 55.067 54.000 0.011 0.000 0.854 394 D CB -0.085 40.721 40.800 0.009 0.000 0.936 394 D HN 0.349 nan 8.370 nan 0.000 0.462 395 E N 0.237 120.444 120.200 0.013 0.000 2.370 395 E HA 0.175 4.533 4.350 0.013 0.000 0.194 395 E C 0.299 176.907 176.600 0.013 0.000 1.057 395 E CA -0.116 56.291 56.400 0.012 0.000 1.011 395 E CB 0.140 29.847 29.700 0.011 0.000 1.132 395 E HN 0.346 nan 8.360 nan 0.000 0.450 396 L N 0.737 121.969 121.223 0.014 0.000 2.334 396 L HA 0.303 4.651 4.340 0.013 0.000 0.272 396 L C 0.894 177.769 176.870 0.009 0.000 1.020 396 L CA -0.930 53.919 54.840 0.014 0.000 0.812 396 L CB 1.446 43.516 42.059 0.018 0.000 1.264 396 L HN -0.047 nan 8.230 nan 0.000 0.439 397 S N -0.003 115.702 115.700 0.009 0.000 2.589 397 S HA 0.088 4.566 4.470 0.013 0.000 0.265 397 S C 0.842 175.445 174.600 0.004 0.000 1.342 397 S CA -0.559 57.644 58.200 0.006 0.000 1.005 397 S CB 1.101 64.304 63.200 0.006 0.000 0.909 397 S HN 0.605 nan 8.310 nan 0.000 0.555 398 E N 1.043 121.244 120.200 0.002 0.000 2.058 398 E HA -0.180 4.178 4.350 0.013 0.000 0.194 398 E C 2.167 178.766 176.600 -0.002 0.000 0.997 398 E CA 1.460 57.860 56.400 -0.001 0.000 0.801 398 E CB -0.670 29.029 29.700 -0.001 0.000 0.746 398 E HN 0.777 nan 8.360 nan 0.000 0.450 399 Q N 0.457 120.257 119.800 -0.001 0.000 2.028 399 Q HA -0.238 4.110 4.340 0.013 0.000 0.213 399 Q C 1.910 177.909 176.000 -0.002 0.000 1.017 399 Q CA 2.037 57.840 55.803 -0.001 0.000 0.875 399 Q CB -0.218 28.521 28.738 0.002 0.000 0.962 399 Q HN 0.277 nan 8.270 nan 0.000 0.413 400 D N 0.044 120.445 120.400 0.003 0.000 2.092 400 D HA -0.163 4.485 4.640 0.013 0.000 0.193 400 D C 1.724 178.022 176.300 -0.003 0.000 0.994 400 D CA 1.186 55.190 54.000 0.007 0.000 0.828 400 D CB -0.264 40.546 40.800 0.016 0.000 0.963 400 D HN 0.170 nan 8.370 nan 0.000 0.450 401 K N -0.019 120.378 120.400 -0.004 0.000 2.113 401 K HA -0.180 4.148 4.320 0.013 0.000 0.208 401 K C 2.085 178.667 176.600 -0.030 0.000 1.047 401 K CA 0.764 57.043 56.287 -0.013 0.000 0.928 401 K CB -0.188 32.308 32.500 -0.007 0.000 0.716 401 K HN 0.015 nan 8.250 nan 0.000 0.446 402 L N 0.664 121.872 121.223 -0.025 0.000 2.072 402 L HA -0.107 4.241 4.340 0.013 0.000 0.205 402 L C 1.924 178.766 176.870 -0.047 0.000 1.079 402 L CA 1.888 56.709 54.840 -0.031 0.000 0.752 402 L CB -0.673 41.374 42.059 -0.019 0.000 0.906 402 L HN 0.141 nan 8.230 nan 0.000 0.436 403 T N -1.113 113.418 114.554 -0.039 0.000 2.708 403 T HA -0.157 4.201 4.350 0.013 0.000 0.266 403 T C 1.983 176.624 174.700 -0.097 0.000 1.037 403 T CA 1.654 63.727 62.100 -0.045 0.000 1.146 403 T CB -0.527 68.332 68.868 -0.015 0.000 0.865 403 T HN 0.186 nan 8.240 nan 0.000 0.435 404 V N 1.580 121.427 119.914 -0.112 0.000 2.287 404 V HA -0.222 3.906 4.120 0.013 0.000 0.248 404 V C 2.538 178.447 176.094 -0.309 0.000 1.053 404 V CA 1.821 63.968 62.300 -0.255 0.000 1.027 404 V CB -0.693 31.044 31.823 -0.142 0.000 0.646 404 V HN 0.520 nan 8.190 nan 0.000 0.447 405 E N -0.505 119.591 120.200 -0.173 0.000 2.097 405 E HA -0.280 4.078 4.350 0.013 0.000 0.196 405 E C 2.458 178.962 176.600 -0.159 0.000 1.000 405 E CA 1.603 57.918 56.400 -0.141 0.000 0.804 405 E CB -0.158 29.496 29.700 -0.076 0.000 0.740 405 E HN 0.431 nan 8.360 nan 0.000 0.454 406 R N -0.111 120.300 120.500 -0.148 0.000 2.075 406 R HA -0.006 4.342 4.340 0.013 0.000 0.226 406 R C 2.261 178.456 176.300 -0.176 0.000 1.114 406 R CA 0.976 56.988 56.100 -0.146 0.000 0.972 406 R CB -0.110 30.138 30.300 -0.086 0.000 0.869 406 R HN 0.127 nan 8.270 nan 0.000 0.437 407 A N 1.086 123.796 122.820 -0.184 0.000 1.908 407 A HA -0.201 4.126 4.320 0.013 0.000 0.218 407 A C 2.087 179.566 177.584 -0.175 0.000 1.181 407 A CA 1.510 53.454 52.037 -0.155 0.000 0.627 407 A CB -0.436 18.460 19.000 -0.173 0.000 0.818 407 A HN 0.312 nan 8.150 nan 0.000 0.445 408 R N -0.312 120.010 120.500 -0.297 0.000 2.115 408 R HA -0.083 4.265 4.340 0.013 0.000 0.230 408 R C 2.081 178.297 176.300 -0.141 0.000 1.111 408 R CA 1.536 57.514 56.100 -0.202 0.000 0.976 408 R CB -0.223 29.934 30.300 -0.239 0.000 0.870 408 R HN 0.533 nan 8.270 nan 0.000 0.445 409 K N 0.227 120.474 120.400 -0.255 0.000 2.148 409 K HA -0.065 4.263 4.320 0.013 0.000 0.204 409 K C 1.931 178.254 176.600 -0.461 0.000 1.050 409 K CA 1.055 57.025 56.287 -0.528 0.000 0.942 409 K CB -0.006 31.958 32.500 -0.892 0.000 0.724 409 K HN 0.146 nan 8.250 nan 0.000 0.446 410 I N 0.986 121.446 120.570 -0.183 0.000 2.193 410 I HA -0.267 3.911 4.170 0.013 0.000 0.240 410 I C 2.695 178.929 176.117 0.195 0.000 1.084 410 I CA 0.977 62.346 61.300 0.116 0.000 1.365 410 I CB -0.224 37.877 38.000 0.168 0.000 1.064 410 I HN 0.150 nan 8.210 nan 0.000 0.410 411 Q N 1.060 120.920 119.800 0.100 0.000 2.084 411 Q HA -0.340 4.008 4.340 0.013 0.000 0.215 411 Q C 2.270 178.342 176.000 0.121 0.000 1.020 411 Q CA 2.487 58.354 55.803 0.106 0.000 0.887 411 Q CB -0.110 28.689 28.738 0.102 0.000 0.975 411 Q HN 0.304 nan 8.270 nan 0.000 0.413 412 R N -1.277 119.301 120.500 0.129 0.000 2.148 412 R HA -0.059 4.289 4.340 0.013 0.000 0.223 412 R C 1.944 178.383 176.300 0.231 0.000 1.088 412 R CA 1.000 57.206 56.100 0.176 0.000 0.985 412 R CB -0.201 30.242 30.300 0.239 0.000 0.880 412 R HN 0.286 nan 8.270 nan 0.000 0.451 413 F N 0.635 120.639 119.950 0.091 0.000 2.407 413 F HA 0.036 4.575 4.527 0.018 0.000 0.299 413 F C 1.336 177.248 175.800 0.188 0.000 1.097 413 F CA 0.867 58.935 58.000 0.114 0.000 1.422 413 F CB 0.115 39.100 39.000 -0.024 0.000 1.067 413 F HN -0.081 nan 8.300 nan 0.000 0.539 414 L N -0.495 120.863 121.223 0.224 0.000 2.395 414 L HA -0.003 4.345 4.340 0.013 0.000 0.218 414 L C 1.439 178.303 176.870 -0.009 0.000 1.130 414 L CA 0.381 55.302 54.840 0.135 0.000 0.826 414 L CB -0.749 41.382 42.059 0.120 0.000 0.941 414 L HN 0.091 nan 8.230 nan 0.000 0.451 415 S N -0.013 115.652 115.700 -0.058 0.000 2.576 415 S HA 0.255 4.732 4.470 0.013 0.000 0.276 415 S C -0.305 174.182 174.600 -0.189 0.000 1.339 415 S CA -0.398 57.702 58.200 -0.165 0.000 1.039 415 S CB 1.505 64.530 63.200 -0.291 0.000 0.902 415 S HN 0.295 nan 8.310 nan 0.000 0.516 416 Q N 1.553 121.219 119.800 -0.223 0.000 2.281 416 Q HA 0.369 4.717 4.340 0.013 0.000 0.263 416 Q C -3.011 172.878 176.000 -0.184 0.000 0.989 416 Q CA -2.112 53.594 55.803 -0.161 0.000 0.852 416 Q CB 2.280 30.982 28.738 -0.059 0.000 1.337 416 Q HN 0.553 nan 8.270 nan 0.000 0.418 417 P HA 0.097 nan 4.420 nan 0.000 0.269 417 P C -0.775 176.612 177.300 0.145 0.000 1.263 417 P CA 0.055 63.147 63.100 -0.013 0.000 0.813 417 P CB -0.031 31.677 31.700 0.013 0.000 0.868 418 F N 2.170 122.098 119.950 -0.036 0.000 2.450 418 F HA 0.228 4.764 4.527 0.015 0.000 0.339 418 F C 1.930 177.710 175.800 -0.034 0.000 1.146 418 F CA -1.125 56.842 58.000 -0.055 0.000 1.267 418 F CB -0.320 38.637 39.000 -0.072 0.000 1.178 418 F HN 0.352 nan 8.300 nan 0.000 0.585 419 A N 1.818 124.716 122.820 0.130 0.000 1.968 419 A HA 0.006 4.333 4.320 0.013 0.000 0.217 419 A C 1.757 179.373 177.584 0.054 0.000 1.169 419 A CA 1.293 53.361 52.037 0.052 0.000 0.638 419 A CB -0.732 18.264 19.000 -0.005 0.000 0.812 419 A HN 0.502 nan 8.150 nan 0.000 0.446 420 V N -1.295 118.666 119.914 0.077 0.000 3.623 420 V HA 0.194 4.322 4.120 0.013 0.000 0.271 420 V C 1.746 177.935 176.094 0.158 0.000 1.248 420 V CA 1.069 63.416 62.300 0.078 0.000 1.156 420 V CB -0.455 31.395 31.823 0.045 0.000 0.870 420 V HN 0.525 nan 8.190 nan 0.000 0.453 421 A N -0.604 122.336 122.820 0.200 0.000 2.630 421 A HA 0.301 4.629 4.320 0.013 0.000 0.290 421 A C 1.598 179.274 177.584 0.153 0.000 1.267 421 A CA -0.165 52.052 52.037 0.300 0.000 0.950 421 A CB -0.192 18.951 19.000 0.239 0.000 1.144 421 A HN 0.415 nan 8.150 nan 0.000 0.527 422 E N -0.386 119.836 120.200 0.036 0.000 2.160 422 E HA -0.159 4.199 4.350 0.013 0.000 0.195 422 E C 1.496 178.019 176.600 -0.129 0.000 0.991 422 E CA 1.577 57.961 56.400 -0.028 0.000 0.810 422 E CB -0.008 29.671 29.700 -0.036 0.000 0.742 422 E HN 0.464 nan 8.360 nan 0.000 0.466 423 V N 0.019 119.735 119.914 -0.329 0.000 2.515 423 V HA -0.196 3.932 4.120 0.013 0.000 0.250 423 V C 1.468 177.206 176.094 -0.593 0.000 1.058 423 V CA 1.461 63.414 62.300 -0.579 0.000 1.064 423 V CB -0.423 30.829 31.823 -0.951 0.000 0.675 423 V HN 0.263 nan 8.190 nan 0.000 0.461 424 F N 0.359 120.286 119.950 -0.038 0.000 2.717 424 F HA 0.084 4.618 4.527 0.012 0.000 0.295 424 F C 2.382 178.164 175.800 -0.030 0.000 1.117 424 F CA 0.904 58.872 58.000 -0.053 0.000 1.361 424 F CB -0.829 38.096 39.000 -0.125 0.000 1.112 424 F HN 0.201 nan 8.300 nan 0.000 0.594 425 T N -3.780 110.836 114.554 0.104 0.000 3.040 425 T HA 0.364 4.722 4.350 0.013 0.000 0.252 425 T C 2.057 176.797 174.700 0.067 0.000 1.064 425 T CA 0.709 62.863 62.100 0.090 0.000 1.110 425 T CB -0.088 68.819 68.868 0.063 0.000 0.921 425 T HN 0.378 nan 8.240 nan 0.000 0.480 426 G N 1.571 110.382 108.800 0.019 0.000 2.189 426 G HA2 -0.233 3.735 3.960 0.013 0.000 0.267 426 G HA3 -0.233 3.735 3.960 0.013 0.000 0.267 426 G C 0.037 174.946 174.900 0.016 0.000 0.975 426 G CA 0.517 45.622 45.100 0.008 0.000 0.644 426 G HN 0.677 nan 8.290 nan 0.000 0.537 427 I N 1.264 121.851 120.570 0.027 0.000 2.530 427 I HA 0.410 4.588 4.170 0.013 0.000 0.297 427 I C -2.151 173.979 176.117 0.021 0.000 1.011 427 I CA -2.764 58.554 61.300 0.030 0.000 1.107 427 I CB 2.149 40.178 38.000 0.049 0.000 1.285 427 I HN -0.205 nan 8.210 nan 0.000 0.436 428 P HA 0.026 nan 4.420 nan 0.000 0.267 428 P C -0.032 177.282 177.300 0.024 0.000 1.200 428 P CA -0.182 62.926 63.100 0.013 0.000 0.772 428 P CB 0.394 32.099 31.700 0.009 0.000 0.855 429 G N 3.079 111.896 108.800 0.028 0.000 2.356 429 G HA2 0.107 4.074 3.960 0.013 0.000 0.273 429 G HA3 0.107 4.074 3.960 0.013 0.000 0.273 429 G C -0.087 174.833 174.900 0.033 0.000 1.213 429 G CA -0.342 44.787 45.100 0.048 0.000 0.955 429 G HN 0.252 nan 8.290 nan 0.000 0.454 430 K N 1.442 121.866 120.400 0.041 0.000 2.087 430 K HA 0.548 4.876 4.320 0.013 0.000 0.255 430 K C -0.647 175.969 176.600 0.026 0.000 0.988 430 K CA -0.657 55.644 56.287 0.024 0.000 0.915 430 K CB 2.426 34.935 32.500 0.014 0.000 1.043 430 K HN 0.417 nan 8.250 nan 0.000 0.457 431 L N 0.802 122.028 121.223 0.006 0.000 2.455 431 L HA 0.374 4.722 4.340 0.013 0.000 0.264 431 L C -1.582 175.283 176.870 -0.009 0.000 0.968 431 L CA -0.802 54.035 54.840 -0.005 0.000 0.827 431 L CB 2.106 44.153 42.059 -0.020 0.000 1.317 431 L HN 0.218 nan 8.230 nan 0.000 0.407 432 V N 4.561 124.468 119.914 -0.012 0.000 2.444 432 V HA 0.496 4.624 4.120 0.013 0.000 0.294 432 V C -0.003 176.087 176.094 -0.007 0.000 1.022 432 V CA -0.745 61.547 62.300 -0.012 0.000 0.850 432 V CB 1.719 33.526 31.823 -0.027 0.000 0.992 432 V HN 0.697 nan 8.190 nan 0.000 0.426 433 R N 2.852 123.351 120.500 -0.002 0.000 2.522 433 R HA 0.116 4.464 4.340 0.013 0.000 0.284 433 R C 1.378 177.676 176.300 -0.003 0.000 1.032 433 R CA -0.146 55.953 56.100 -0.001 0.000 1.049 433 R CB 0.613 30.914 30.300 0.002 0.000 0.956 433 R HN 0.726 nan 8.270 nan 0.000 0.422 434 L N 4.424 125.640 121.223 -0.012 0.000 2.011 434 L HA -0.369 3.979 4.340 0.013 0.000 0.225 434 L C 2.069 178.907 176.870 -0.054 0.000 1.084 434 L CA 2.008 56.826 54.840 -0.036 0.000 0.791 434 L CB -0.160 41.876 42.059 -0.040 0.000 0.898 434 L HN 0.610 nan 8.230 nan 0.000 0.440 435 K N -0.939 119.438 120.400 -0.038 0.000 2.218 435 K HA -0.254 4.074 4.320 0.013 0.000 0.205 435 K C 1.759 178.361 176.600 0.003 0.000 1.046 435 K CA 1.633 57.903 56.287 -0.028 0.000 0.933 435 K CB -0.316 32.179 32.500 -0.007 0.000 0.728 435 K HN 0.544 nan 8.250 nan 0.000 0.454 436 D N -0.067 120.343 120.400 0.017 0.000 2.162 436 D HA -0.064 4.584 4.640 0.013 0.000 0.205 436 D C 1.477 177.826 176.300 0.082 0.000 0.964 436 D CA 1.171 55.196 54.000 0.043 0.000 0.847 436 D CB 0.076 40.895 40.800 0.031 0.000 0.988 436 D HN 0.034 nan 8.370 nan 0.000 0.480 437 T N 0.353 114.956 114.554 0.082 0.000 2.652 437 T HA -0.140 4.218 4.350 0.013 0.000 0.267 437 T C 2.204 177.073 174.700 0.281 0.000 1.039 437 T CA 1.762 63.977 62.100 0.191 0.000 1.153 437 T CB -0.661 68.292 68.868 0.143 0.000 0.863 437 T HN -0.020 nan 8.240 nan 0.000 0.428 438 V N 2.099 122.073 119.914 0.100 0.000 2.231 438 V HA -0.264 3.864 4.120 0.013 0.000 0.250 438 V C 2.969 179.160 176.094 0.162 0.000 1.058 438 V CA 2.032 64.377 62.300 0.074 0.000 1.022 438 V CB -1.418 30.340 31.823 -0.109 0.000 0.640 438 V HN 0.601 nan 8.190 nan 0.000 0.445 439 A N -0.583 122.309 122.820 0.119 0.000 1.877 439 A HA -0.203 4.125 4.320 0.013 0.000 0.216 439 A C 2.471 180.148 177.584 0.155 0.000 1.186 439 A CA 2.228 54.339 52.037 0.123 0.000 0.620 439 A CB -0.796 18.256 19.000 0.086 0.000 0.822 439 A HN 0.514 nan 8.150 nan 0.000 0.443 440 S N -0.747 115.049 115.700 0.160 0.000 2.359 440 S HA -0.151 4.327 4.470 0.013 0.000 0.224 440 S C 1.645 176.303 174.600 0.097 0.000 1.035 440 S CA 1.699 59.970 58.200 0.117 0.000 1.018 440 S CB -0.564 62.751 63.200 0.192 0.000 0.876 440 S HN 0.553 nan 8.310 nan 0.000 0.448 441 F N 1.670 121.773 119.950 0.255 0.000 2.146 441 F HA -0.014 4.521 4.527 0.013 0.000 0.298 441 F C 2.399 178.284 175.800 0.141 0.000 1.096 441 F CA 1.112 59.241 58.000 0.216 0.000 1.275 441 F CB -0.238 38.880 39.000 0.197 0.000 1.008 441 F HN 0.076 nan 8.300 nan 0.000 0.480 442 K N 0.565 121.146 120.400 0.303 0.000 2.089 442 K HA -0.259 4.069 4.320 0.013 0.000 0.210 442 K C 2.153 178.857 176.600 0.172 0.000 1.048 442 K CA 1.478 57.886 56.287 0.201 0.000 0.926 442 K CB -0.308 32.288 32.500 0.160 0.000 0.714 442 K HN 0.269 nan 8.250 nan 0.000 0.448 443 A N 0.402 123.337 122.820 0.190 0.000 1.897 443 A HA -0.060 4.267 4.320 0.013 0.000 0.215 443 A C 2.223 179.961 177.584 0.257 0.000 1.181 443 A CA 1.251 53.421 52.037 0.221 0.000 0.620 443 A CB -0.477 18.729 19.000 0.343 0.000 0.821 443 A HN 0.157 nan 8.150 nan 0.000 0.443 444 V N 0.489 120.558 119.914 0.258 0.000 2.282 444 V HA -0.311 3.817 4.120 0.013 0.000 0.249 444 V C 2.592 178.761 176.094 0.125 0.000 1.057 444 V CA 2.162 64.589 62.300 0.211 0.000 1.032 444 V CB -0.893 30.935 31.823 0.009 0.000 0.645 444 V HN 0.580 nan 8.190 nan 0.000 0.447 445 L N -0.404 120.893 121.223 0.123 0.000 2.042 445 L HA -0.211 4.137 4.340 0.013 0.000 0.210 445 L C 2.292 179.199 176.870 0.061 0.000 1.076 445 L CA 1.663 56.555 54.840 0.086 0.000 0.749 445 L CB -0.672 41.447 42.059 0.099 0.000 0.893 445 L HN 0.333 nan 8.230 nan 0.000 0.432 446 E N 0.123 120.364 120.200 0.068 0.000 2.533 446 E HA -0.070 4.288 4.350 0.013 0.000 0.203 446 E C 1.333 177.936 176.600 0.005 0.000 1.101 446 E CA 0.445 56.867 56.400 0.036 0.000 0.894 446 E CB -0.231 29.491 29.700 0.037 0.000 0.843 446 E HN 0.570 nan 8.360 nan 0.000 0.552 447 G N 1.360 110.168 108.800 0.013 0.000 2.155 447 G HA2 -0.387 3.581 3.960 0.013 0.000 0.257 447 G HA3 -0.387 3.581 3.960 0.013 0.000 0.257 447 G C 0.828 175.687 174.900 -0.067 0.000 0.983 447 G CA 0.713 45.806 45.100 -0.011 0.000 0.676 447 G HN 0.314 nan 8.290 nan 0.000 0.528 448 K N -1.166 119.153 120.400 -0.134 0.000 2.439 448 K HA 0.135 4.463 4.320 0.013 0.000 0.197 448 K C 0.633 176.795 176.600 -0.730 0.000 1.041 448 K CA 0.910 56.936 56.287 -0.435 0.000 0.970 448 K CB 0.002 32.154 32.500 -0.579 0.000 0.773 448 K HN 0.598 nan 8.250 nan 0.000 0.479 449 Y N -0.752 119.564 120.300 0.026 0.000 2.721 449 Y HA 0.122 4.676 4.550 0.006 0.000 0.251 449 Y C 0.439 176.393 175.900 0.090 0.000 1.136 449 Y CA -0.713 57.426 58.100 0.064 0.000 1.142 449 Y CB 0.538 39.079 38.460 0.134 0.000 1.212 449 Y HN -0.041 nan 8.280 nan 0.000 0.565 450 D N 0.554 121.016 120.400 0.104 0.000 2.178 450 D HA -0.146 4.502 4.640 0.013 0.000 0.202 450 D C 1.633 177.977 176.300 0.074 0.000 0.974 450 D CA 1.345 55.389 54.000 0.073 0.000 0.841 450 D CB -0.073 40.739 40.800 0.020 0.000 0.953 450 D HN 0.470 nan 8.370 nan 0.000 0.478 451 N N 0.880 119.615 118.700 0.058 0.000 2.459 451 N HA -0.110 4.638 4.740 0.013 0.000 0.181 451 N C 0.781 176.334 175.510 0.071 0.000 1.046 451 N CA 0.167 53.244 53.050 0.046 0.000 0.904 451 N CB -0.352 38.146 38.487 0.019 0.000 0.964 451 N HN 0.225 nan 8.380 nan 0.000 0.444 452 I N 1.768 122.410 120.570 0.121 0.000 2.529 452 I HA 0.141 4.318 4.170 0.013 0.000 0.284 452 I C -1.982 174.229 176.117 0.158 0.000 1.082 452 I CA -1.891 59.482 61.300 0.121 0.000 1.406 452 I CB 0.659 38.726 38.000 0.111 0.000 1.405 452 I HN -0.129 nan 8.210 nan 0.000 0.548 453 P HA 0.079 nan 4.420 nan 0.000 0.272 453 P C 0.235 177.663 177.300 0.214 0.000 1.223 453 P CA -0.236 62.942 63.100 0.129 0.000 0.784 453 P CB 0.555 32.309 31.700 0.090 0.000 0.923 454 E N 0.433 120.752 120.200 0.199 0.000 2.130 454 E HA -0.295 4.063 4.350 0.013 0.000 0.196 454 E C 1.631 178.412 176.600 0.301 0.000 0.998 454 E CA 1.116 57.656 56.400 0.233 0.000 0.806 454 E CB -0.346 29.422 29.700 0.114 0.000 0.738 454 E HN 0.581 nan 8.360 nan 0.000 0.459 455 H N -0.064 119.093 119.070 0.145 0.000 2.489 455 H HA 0.012 4.571 4.556 0.006 0.000 0.293 455 H C 1.752 177.165 175.328 0.142 0.000 1.066 455 H CA 1.242 57.359 56.048 0.116 0.000 1.305 455 H CB 0.207 29.988 29.762 0.033 0.000 1.386 455 H HN 0.162 nan 8.280 nan 0.000 0.551 456 A N -0.493 122.444 122.820 0.196 0.000 2.167 456 A HA -0.014 4.314 4.320 0.013 0.000 0.214 456 A C 1.672 179.175 177.584 -0.136 0.000 1.151 456 A CA 0.275 52.305 52.037 -0.012 0.000 0.735 456 A CB -0.631 18.257 19.000 -0.188 0.000 0.802 456 A HN 0.271 nan 8.150 nan 0.000 0.467 457 F N -2.502 117.493 119.950 0.073 0.000 2.698 457 F HA 0.173 4.699 4.527 -0.002 0.000 0.295 457 F C 0.816 176.741 175.800 0.208 0.000 1.124 457 F CA -0.234 57.839 58.000 0.122 0.000 1.426 457 F CB -0.150 38.879 39.000 0.048 0.000 1.120 457 F HN 0.287 nan 8.300 nan 0.000 0.583 458 Y N 1.731 122.139 120.300 0.181 0.000 2.537 458 Y HA 0.228 4.786 4.550 0.014 0.000 0.339 458 Y C 0.766 176.703 175.900 0.062 0.000 1.066 458 Y CA -1.070 57.066 58.100 0.060 0.000 1.357 458 Y CB 0.189 38.564 38.460 -0.142 0.000 1.175 458 Y HN 0.166 nan 8.280 nan 0.000 0.525 459 M N 5.131 124.530 119.600 -0.334 0.000 2.399 459 M HA -0.172 4.316 4.480 0.013 0.000 0.191 459 M C -1.660 174.622 176.300 -0.030 0.000 0.732 459 M CA 1.201 56.355 55.300 -0.244 0.000 0.512 459 M CB -1.253 31.187 32.600 -0.266 0.000 1.191 459 M HN 0.449 nan 8.290 nan 0.000 0.894 460 V N -2.368 117.542 119.914 -0.005 0.000 3.119 460 V HA 1.106 5.234 4.120 0.013 0.000 0.311 460 V C 0.804 176.888 176.094 -0.017 0.000 1.259 460 V CA -0.259 62.057 62.300 0.026 0.000 1.067 460 V CB 1.310 33.179 31.823 0.078 0.000 1.123 460 V HN 0.456 nan 8.190 nan 0.000 0.463 461 G N -0.233 108.565 108.800 -0.003 0.000 3.311 461 G HA2 0.559 4.527 3.960 0.013 0.000 0.169 461 G HA3 0.559 4.527 3.960 0.013 0.000 0.169 461 G C 0.540 175.416 174.900 -0.040 0.000 1.852 461 G CA -0.043 45.034 45.100 -0.038 0.000 1.010 461 G HN 1.387 nan 8.290 nan 0.000 0.530 462 G N -1.014 107.797 108.800 0.019 0.000 2.553 462 G HA2 0.323 4.291 3.960 0.013 0.000 0.278 462 G HA3 0.323 4.291 3.960 0.013 0.000 0.278 462 G C 0.855 175.876 174.900 0.201 0.000 1.349 462 G CA 0.006 45.172 45.100 0.110 0.000 1.037 462 G HN 0.376 nan 8.290 nan 0.000 0.508 463 I N -0.598 120.045 120.570 0.122 0.000 2.394 463 I HA -0.048 4.130 4.170 0.013 0.000 0.251 463 I C 2.476 178.489 176.117 -0.174 0.000 1.136 463 I CA 1.279 62.484 61.300 -0.158 0.000 1.425 463 I CB -0.284 37.541 38.000 -0.292 0.000 1.079 463 I HN 0.650 nan 8.210 nan 0.000 0.425 464 E N 0.329 120.491 120.200 -0.064 0.000 2.130 464 E HA -0.273 4.085 4.350 0.013 0.000 0.196 464 E C 1.563 178.125 176.600 -0.063 0.000 0.998 464 E CA 1.695 58.066 56.400 -0.049 0.000 0.806 464 E CB -0.137 29.555 29.700 -0.014 0.000 0.738 464 E HN 0.570 nan 8.360 nan 0.000 0.459 465 D N -0.337 120.035 120.400 -0.046 0.000 2.224 465 D HA -0.096 4.552 4.640 0.013 0.000 0.205 465 D C 1.973 178.217 176.300 -0.093 0.000 0.965 465 D CA 0.420 54.397 54.000 -0.038 0.000 0.852 465 D CB -0.065 40.740 40.800 0.007 0.000 0.947 465 D HN 0.012 nan 8.370 nan 0.000 0.494 466 V N 0.494 120.288 119.914 -0.200 0.000 2.244 466 V HA -0.230 3.898 4.120 0.013 0.000 0.244 466 V C 2.620 178.535 176.094 -0.298 0.000 1.042 466 V CA 1.141 63.203 62.300 -0.396 0.000 1.006 466 V CB -0.664 30.646 31.823 -0.854 0.000 0.641 466 V HN 0.061 nan 8.190 nan 0.000 0.446 467 V N 0.747 120.511 119.914 -0.249 0.000 2.250 467 V HA -0.389 3.739 4.120 0.013 0.000 0.253 467 V C 2.728 178.771 176.094 -0.085 0.000 1.065 467 V CA 2.506 64.732 62.300 -0.124 0.000 1.039 467 V CB -1.573 30.214 31.823 -0.060 0.000 0.647 467 V HN 0.581 nan 8.190 nan 0.000 0.446 468 A N -0.268 122.508 122.820 -0.074 0.000 1.865 468 A HA -0.312 4.016 4.320 0.013 0.000 0.217 468 A C 2.373 179.932 177.584 -0.042 0.000 1.191 468 A CA 2.456 54.466 52.037 -0.045 0.000 0.623 468 A CB -0.582 18.398 19.000 -0.033 0.000 0.826 468 A HN 0.556 nan 8.150 nan 0.000 0.444 469 K N -0.557 119.812 120.400 -0.051 0.000 2.211 469 K HA 0.006 4.334 4.320 0.013 0.000 0.203 469 K C 2.042 178.620 176.600 -0.036 0.000 1.050 469 K CA 1.005 57.275 56.287 -0.028 0.000 0.945 469 K CB -0.265 32.230 32.500 -0.008 0.000 0.732 469 K HN 0.395 nan 8.250 nan 0.000 0.451 470 A N 1.114 123.892 122.820 -0.070 0.000 1.898 470 A HA -0.147 4.180 4.320 0.013 0.000 0.216 470 A C 1.762 179.325 177.584 -0.034 0.000 1.181 470 A CA 1.459 53.462 52.037 -0.058 0.000 0.620 470 A CB -0.322 18.627 19.000 -0.085 0.000 0.819 470 A HN 0.414 nan 8.150 nan 0.000 0.442 471 E N -0.240 119.941 120.200 -0.032 0.000 2.152 471 E HA -0.114 4.244 4.350 0.013 0.000 0.192 471 E C 1.973 178.561 176.600 -0.019 0.000 0.983 471 E CA 0.888 57.275 56.400 -0.022 0.000 0.818 471 E CB -0.061 29.628 29.700 -0.019 0.000 0.758 471 E HN 0.536 nan 8.360 nan 0.000 0.467 472 K N 0.492 120.881 120.400 -0.019 0.000 2.057 472 K HA -0.138 4.190 4.320 0.013 0.000 0.207 472 K C 2.136 178.724 176.600 -0.020 0.000 1.049 472 K CA 0.936 57.214 56.287 -0.016 0.000 0.931 472 K CB -0.103 32.391 32.500 -0.010 0.000 0.714 472 K HN 0.100 nan 8.250 nan 0.000 0.440 473 L N 0.356 121.564 121.223 -0.025 0.000 2.093 473 L HA -0.120 4.228 4.340 0.013 0.000 0.208 473 L C 2.209 179.062 176.870 -0.028 0.000 1.085 473 L CA 1.000 55.819 54.840 -0.035 0.000 0.755 473 L CB -0.292 41.743 42.059 -0.041 0.000 0.904 473 L HN 0.145 nan 8.230 nan 0.000 0.435 474 A N -0.611 122.196 122.820 -0.021 0.000 2.235 474 A HA 0.406 4.734 4.320 0.013 0.000 0.208 474 A C 1.079 178.654 177.584 -0.015 0.000 1.172 474 A CA 0.751 52.778 52.037 -0.017 0.000 0.786 474 A CB -0.545 18.447 19.000 -0.013 0.000 0.804 474 A HN 0.311 nan 8.150 nan 0.000 0.479 475 A N 0.000 122.810 122.820 -0.016 0.000 2.254 475 A HA 0.000 4.328 4.320 0.013 0.000 0.244 475 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 475 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486