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 3oeh_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 SAFGYQPTLA 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 0.010 0.000 1.109 7 T CA 0.000 62.104 62.100 0.007 0.000 1.349 7 T CB 0.000 68.871 68.868 0.006 0.000 0.612 8 P HA 0.642 nan 4.420 nan 0.000 0.279 8 P C -0.553 176.768 177.300 0.035 0.000 1.282 8 P CA -0.811 62.302 63.100 0.021 0.000 0.788 8 P CB 0.753 32.467 31.700 0.024 0.000 1.139 9 I N 0.676 121.277 120.570 0.052 0.000 2.310 9 I HA 0.155 4.326 4.170 0.000 0.000 0.287 9 I C 0.460 176.697 176.117 0.200 0.000 1.073 9 I CA -0.271 61.082 61.300 0.088 0.000 1.216 9 I CB 0.654 38.669 38.000 0.026 0.000 1.415 9 I HN 0.355 nan 8.210 nan 0.000 0.480 10 T N 1.939 116.592 114.554 0.165 0.000 2.875 10 T HA 0.806 5.156 4.350 0.000 0.000 0.284 10 T C 0.157 174.846 174.700 -0.019 0.000 0.995 10 T CA -0.751 61.410 62.100 0.102 0.000 1.060 10 T CB 1.976 70.851 68.868 0.012 0.000 0.967 10 T HN 0.561 nan 8.240 nan 0.000 0.476 11 G N 1.217 109.776 108.800 -0.402 0.000 2.730 11 G HA2 0.691 4.652 3.960 0.000 0.000 0.289 11 G HA3 0.691 4.652 3.960 0.000 0.000 0.289 11 G C -1.494 173.102 174.900 -0.506 0.000 1.341 11 G CA -1.199 43.323 45.100 -0.964 0.000 0.932 11 G HN 0.745 nan 8.290 nan 0.000 0.481 12 K N -0.284 119.869 120.400 -0.412 0.000 2.316 12 K HA 0.524 4.844 4.320 0.000 0.000 0.251 12 K C -0.767 175.745 176.600 -0.146 0.000 0.934 12 K CA -0.763 55.407 56.287 -0.196 0.000 0.802 12 K CB 2.992 35.433 32.500 -0.098 0.000 1.171 12 K HN 0.225 nan 8.250 nan 0.000 0.426 13 V N 3.081 122.937 119.914 -0.095 0.000 2.479 13 V HA -0.052 4.068 4.120 0.000 0.000 0.281 13 V C 1.368 177.440 176.094 -0.035 0.000 1.031 13 V CA 0.590 62.856 62.300 -0.058 0.000 1.038 13 V CB 0.614 32.413 31.823 -0.040 0.000 0.981 13 V HN 1.062 nan 8.190 nan 0.000 0.478 14 T N 1.920 116.461 114.554 -0.023 0.000 3.033 14 T HA 0.465 4.815 4.350 0.000 0.000 0.248 14 T C 0.534 175.222 174.700 -0.020 0.000 1.040 14 T CA 0.535 62.622 62.100 -0.023 0.000 1.133 14 T CB 0.419 69.272 68.868 -0.026 0.000 0.895 14 T HN 0.924 nan 8.240 nan 0.000 0.465 15 A N 0.358 123.171 122.820 -0.012 0.000 2.549 15 A HA 0.702 5.023 4.320 0.000 0.000 0.297 15 A C -1.551 176.031 177.584 -0.003 0.000 1.061 15 A CA -0.707 51.326 52.037 -0.008 0.000 0.690 15 A CB 2.044 21.041 19.000 -0.005 0.000 1.287 15 A HN 0.276 nan 8.150 nan 0.000 0.402 16 V N 2.291 122.204 119.914 -0.003 0.000 2.524 16 V HA 0.535 4.655 4.120 0.000 0.000 0.297 16 V C -1.403 174.691 176.094 0.001 0.000 1.035 16 V CA -0.152 62.148 62.300 -0.000 0.000 0.867 16 V CB 1.305 33.127 31.823 -0.002 0.000 1.004 16 V HN 0.680 nan 8.190 nan 0.000 0.426 17 I N 4.457 125.029 120.570 0.003 0.000 2.497 17 I HA 0.764 4.935 4.170 0.000 0.000 0.284 17 I C 0.807 176.927 176.117 0.004 0.000 1.060 17 I CA 0.648 61.949 61.300 0.002 0.000 1.071 17 I CB 1.382 39.383 38.000 0.003 0.000 1.216 17 I HN 0.811 nan 8.210 nan 0.000 0.442 18 G N 4.772 113.574 108.800 0.003 0.000 2.629 18 G HA2 -0.291 3.669 3.960 0.000 0.000 0.313 18 G HA3 -0.291 3.669 3.960 0.000 0.000 0.313 18 G C 0.960 175.863 174.900 0.005 0.000 1.217 18 G CA 0.772 45.874 45.100 0.003 0.000 0.994 18 G HN 1.041 nan 8.290 nan 0.000 0.549 19 A N -0.537 122.287 122.820 0.006 0.000 2.208 19 A HA 0.538 4.858 4.320 0.000 0.000 0.209 19 A C 0.933 178.526 177.584 0.014 0.000 1.161 19 A CA 1.034 53.076 52.037 0.010 0.000 0.782 19 A CB -0.033 18.972 19.000 0.008 0.000 0.816 19 A HN 0.613 nan 8.150 nan 0.000 0.477 20 I N 1.117 121.695 120.570 0.012 0.000 2.321 20 I HA 0.355 4.525 4.170 0.000 0.000 0.291 20 I C -0.718 175.409 176.117 0.016 0.000 0.998 20 I CA -0.787 60.523 61.300 0.017 0.000 1.227 20 I CB 1.099 39.109 38.000 0.016 0.000 1.368 20 I HN -0.154 nan 8.210 nan 0.000 0.466 21 V N 5.642 125.569 119.914 0.021 0.000 2.483 21 V HA 0.364 4.484 4.120 0.000 0.000 0.297 21 V C -0.552 175.557 176.094 0.026 0.000 1.027 21 V CA -0.769 61.542 62.300 0.018 0.000 0.855 21 V CB 2.245 34.078 31.823 0.017 0.000 0.995 21 V HN 0.538 nan 8.190 nan 0.000 0.424 22 D N 3.502 123.913 120.400 0.020 0.000 2.274 22 D HA 0.505 5.145 4.640 0.000 0.000 0.239 22 D C -0.489 175.822 176.300 0.019 0.000 1.104 22 D CA 0.062 54.079 54.000 0.028 0.000 0.840 22 D CB 2.083 42.896 40.800 0.022 0.000 1.100 22 D HN 0.257 nan 8.370 nan 0.000 0.477 23 V N 2.866 122.800 119.914 0.033 0.000 2.495 23 V HA 0.200 4.321 4.120 0.000 0.000 0.298 23 V C -0.256 175.830 176.094 -0.013 0.000 1.031 23 V CA -0.839 61.440 62.300 -0.035 0.000 0.871 23 V CB 1.688 33.472 31.823 -0.065 0.000 0.988 23 V HN 0.511 nan 8.190 nan 0.000 0.432 24 H N 4.089 123.033 119.070 -0.209 0.000 2.489 24 H HA 0.593 5.149 4.556 0.000 0.000 0.322 24 H C -1.490 173.642 175.328 -0.327 0.000 1.091 24 H CA -0.862 55.095 56.048 -0.151 0.000 1.291 24 H CB 0.962 30.665 29.762 -0.099 0.000 1.436 24 H HN 0.449 nan 8.280 nan 0.000 0.480 25 F N 4.304 123.912 119.950 -0.569 0.000 2.375 25 F HA 0.159 4.686 4.527 0.000 0.000 0.361 25 F C 1.394 176.833 175.800 -0.602 0.000 1.117 25 F CA -0.602 57.121 58.000 -0.463 0.000 1.037 25 F CB 1.598 40.454 39.000 -0.240 0.000 1.192 25 F HN 0.657 nan 8.300 nan 0.000 0.452 26 E N 1.902 121.896 120.200 -0.343 0.000 2.085 26 E HA -0.183 4.168 4.350 0.000 0.000 0.194 26 E C 0.886 177.453 176.600 -0.054 0.000 0.994 26 E CA 1.141 57.431 56.400 -0.183 0.000 0.801 26 E CB 0.036 29.685 29.700 -0.086 0.000 0.743 26 E HN 0.645 nan 8.360 nan 0.000 0.453 27 Q N -0.549 119.248 119.800 -0.005 0.000 2.312 27 Q HA 0.158 4.498 4.340 0.000 0.000 0.236 27 Q C 0.745 176.743 176.000 -0.002 0.000 0.965 27 Q CA 0.279 56.086 55.803 0.006 0.000 0.894 27 Q CB 1.434 30.182 28.738 0.016 0.000 1.225 27 Q HN -0.036 nan 8.270 nan 0.000 0.478 28 S N 0.408 116.105 115.700 -0.005 0.000 2.522 28 S HA -0.007 4.463 4.470 0.000 0.000 0.227 28 S C 0.436 175.017 174.600 -0.031 0.000 0.986 28 S CA 0.816 59.011 58.200 -0.009 0.000 0.929 28 S CB -0.415 62.786 63.200 0.002 0.000 0.769 28 S HN 0.715 nan 8.310 nan 0.000 0.529 29 E N 1.249 121.422 120.200 -0.044 0.000 2.029 29 E HA 0.418 4.768 4.350 0.000 0.000 0.276 29 E C -0.723 175.771 176.600 -0.177 0.000 1.163 29 E CA -0.209 56.143 56.400 -0.079 0.000 0.909 29 E CB -0.151 29.512 29.700 -0.063 0.000 1.046 29 E HN 0.265 nan 8.360 nan 0.000 0.406 30 L N 4.270 125.368 121.223 -0.208 0.000 2.325 30 L HA 0.457 4.797 4.340 0.000 0.000 0.279 30 L C -1.815 174.829 176.870 -0.375 0.000 1.054 30 L CA -2.061 52.532 54.840 -0.412 0.000 0.804 30 L CB 1.737 43.573 42.059 -0.372 0.000 1.200 30 L HN 0.468 nan 8.230 nan 0.000 0.436 31 P HA 0.130 nan 4.420 nan 0.000 0.265 31 P C -0.797 176.471 177.300 -0.053 0.000 1.193 31 P CA -0.397 62.509 63.100 -0.323 0.000 0.765 31 P CB 0.621 32.076 31.700 -0.408 0.000 0.823 32 A N 4.294 127.106 122.820 -0.013 0.000 2.425 32 A HA 0.176 4.496 4.320 0.000 0.000 0.242 32 A C 0.675 178.277 177.584 0.030 0.000 1.077 32 A CA -0.474 51.579 52.037 0.027 0.000 0.781 32 A CB -0.386 18.598 19.000 -0.027 0.000 1.020 32 A HN 0.581 nan 8.150 nan 0.000 0.494 33 I N 1.490 122.050 120.570 -0.017 0.000 2.662 33 I HA -0.005 4.166 4.170 0.000 0.000 0.285 33 I C 0.596 176.663 176.117 -0.084 0.000 1.161 33 I CA 0.870 62.146 61.300 -0.041 0.000 1.415 33 I CB -0.014 37.922 38.000 -0.107 0.000 1.385 33 I HN 0.746 nan 8.210 nan 0.000 0.552 34 L N 2.802 123.975 121.223 -0.083 0.000 2.782 34 L HA -0.203 4.138 4.340 0.000 0.000 0.458 34 L C 0.193 177.036 176.870 -0.045 0.000 0.745 34 L CA -0.117 54.632 54.840 -0.151 0.000 2.563 34 L CB -1.257 40.607 42.059 -0.325 0.000 1.096 34 L HN 0.624 nan 8.230 nan 0.000 0.601 35 N N 1.506 120.197 118.700 -0.016 0.000 2.454 35 N HA 0.443 5.183 4.740 0.000 0.000 0.254 35 N C 0.319 175.848 175.510 0.032 0.000 1.228 35 N CA 0.981 54.035 53.050 0.008 0.000 0.900 35 N CB 0.827 39.310 38.487 -0.007 0.000 1.089 35 N HN 0.305 nan 8.380 nan 0.000 0.449 36 A N 2.622 125.466 122.820 0.040 0.000 2.366 36 A HA 0.489 4.809 4.320 0.000 0.000 0.272 36 A C -0.084 177.529 177.584 0.050 0.000 1.135 36 A CA -0.378 51.688 52.037 0.048 0.000 0.804 36 A CB -0.015 19.010 19.000 0.043 0.000 1.064 36 A HN 0.624 nan 8.150 nan 0.000 0.499 37 L N 1.418 122.679 121.223 0.064 0.000 2.304 37 L HA 0.675 5.015 4.340 0.000 0.000 0.268 37 L C 0.170 177.074 176.870 0.058 0.000 1.010 37 L CA -0.609 54.279 54.840 0.080 0.000 0.813 37 L CB 1.647 43.780 42.059 0.124 0.000 1.315 37 L HN 0.742 nan 8.230 nan 0.000 0.445 38 E N 0.798 121.030 120.200 0.053 0.000 2.293 38 E HA 0.618 4.969 4.350 0.000 0.000 0.270 38 E C -1.517 175.097 176.600 0.024 0.000 0.879 38 E CA -0.565 55.855 56.400 0.034 0.000 0.756 38 E CB 3.166 32.883 29.700 0.027 0.000 1.208 38 E HN 0.357 nan 8.360 nan 0.000 0.428 39 I N 2.450 123.029 120.570 0.015 0.000 2.436 39 I HA 0.269 4.440 4.170 0.000 0.000 0.289 39 I C -0.450 175.669 176.117 0.004 0.000 1.010 39 I CA -0.750 60.553 61.300 0.005 0.000 1.098 39 I CB 1.683 39.683 38.000 0.001 0.000 1.266 39 I HN 0.191 nan 8.210 nan 0.000 0.434 40 K N 4.703 125.103 120.400 0.001 0.000 2.379 40 K HA 0.304 4.624 4.320 0.000 0.000 0.284 40 K C 0.087 176.686 176.600 -0.001 0.000 1.044 40 K CA -0.139 56.148 56.287 0.001 0.000 0.974 40 K CB 0.758 33.258 32.500 -0.000 0.000 0.962 40 K HN 0.668 nan 8.250 nan 0.000 0.474 41 T N -0.838 113.716 114.554 0.000 0.000 2.870 41 T HA 0.347 4.697 4.350 0.000 0.000 0.277 41 T C -1.480 173.219 174.700 -0.001 0.000 1.000 41 T CA -1.372 60.728 62.100 -0.000 0.000 0.982 41 T CB 0.987 69.855 68.868 0.001 0.000 1.249 41 T HN 0.338 nan 8.240 nan 0.000 0.589 42 P HA 0.096 nan 4.420 nan 0.000 0.227 42 P C 1.006 178.306 177.300 0.000 0.000 1.161 42 P CA 0.794 63.893 63.100 -0.001 0.000 0.788 42 P CB 0.291 31.991 31.700 -0.001 0.000 0.822 43 Q N -0.391 119.409 119.800 0.001 0.000 2.178 43 Q HA 0.275 4.615 4.340 0.000 0.000 0.195 43 Q C 1.658 177.659 176.000 0.002 0.000 0.960 43 Q CA 1.705 57.509 55.803 0.001 0.000 0.843 43 Q CB -0.364 28.375 28.738 0.002 0.000 0.927 43 Q HN 0.319 nan 8.270 nan 0.000 0.487 44 G N -1.149 107.652 108.800 0.002 0.000 3.554 44 G HA2 0.355 4.315 3.960 0.000 0.000 0.168 44 G HA3 0.355 4.315 3.960 0.000 0.000 0.168 44 G C -1.215 173.687 174.900 0.003 0.000 1.271 44 G CA -0.446 44.655 45.100 0.002 0.000 1.339 44 G HN -0.032 nan 8.290 nan 0.000 0.731 45 K N -0.080 120.323 120.400 0.005 0.000 2.535 45 K HA 0.610 4.930 4.320 0.000 0.000 0.250 45 K C -1.843 174.762 176.600 0.009 0.000 0.948 45 K CA -0.600 55.691 56.287 0.007 0.000 0.796 45 K CB 2.291 34.795 32.500 0.007 0.000 1.216 45 K HN 0.346 nan 8.250 nan 0.000 0.432 46 L N 4.845 126.074 121.223 0.010 0.000 2.275 46 L HA 0.470 4.810 4.340 0.000 0.000 0.288 46 L C -1.291 175.590 176.870 0.018 0.000 1.046 46 L CA -0.324 54.523 54.840 0.013 0.000 0.805 46 L CB 1.475 43.541 42.059 0.011 0.000 1.193 46 L HN 0.370 nan 8.230 nan 0.000 0.426 47 V N 6.751 126.678 119.914 0.021 0.000 2.407 47 V HA 0.411 4.531 4.120 0.000 0.000 0.278 47 V C 0.111 176.225 176.094 0.034 0.000 1.037 47 V CA -0.487 61.830 62.300 0.028 0.000 0.900 47 V CB 1.182 33.021 31.823 0.027 0.000 0.983 47 V HN 0.635 nan 8.190 nan 0.000 0.459 48 L N 4.110 125.359 121.223 0.042 0.000 2.334 48 L HA 0.686 5.026 4.340 0.000 0.000 0.276 48 L C -0.058 176.847 176.870 0.059 0.000 1.014 48 L CA -0.536 54.334 54.840 0.049 0.000 0.815 48 L CB 1.810 43.900 42.059 0.052 0.000 1.268 48 L HN 0.630 nan 8.230 nan 0.000 0.428 49 E N 1.764 122.001 120.200 0.061 0.000 2.166 49 E HA 0.405 4.755 4.350 0.000 0.000 0.275 49 E C -1.224 175.412 176.600 0.060 0.000 0.941 49 E CA -0.798 55.641 56.400 0.066 0.000 0.784 49 E CB 2.090 31.841 29.700 0.086 0.000 1.115 49 E HN 0.385 nan 8.360 nan 0.000 0.399 50 V N 4.175 124.122 119.914 0.055 0.000 2.521 50 V HA 0.150 4.270 4.120 0.000 0.000 0.286 50 V C 0.860 176.980 176.094 0.043 0.000 1.034 50 V CA 0.857 63.194 62.300 0.063 0.000 1.045 50 V CB 0.715 32.579 31.823 0.068 0.000 0.974 50 V HN 0.894 nan 8.190 nan 0.000 0.480 51 A N 4.314 127.168 122.820 0.056 0.000 2.055 51 A HA 0.306 4.627 4.320 0.000 0.000 0.205 51 A C 0.633 178.243 177.584 0.044 0.000 1.235 51 A CA 0.297 52.355 52.037 0.035 0.000 0.822 51 A CB 0.353 19.375 19.000 0.036 0.000 0.903 51 A HN 0.862 nan 8.150 nan 0.000 0.473 52 Q N -1.075 118.779 119.800 0.090 0.000 2.522 52 Q HA 0.358 4.698 4.340 0.000 0.000 0.285 52 Q C -1.805 174.334 176.000 0.230 0.000 0.982 52 Q CA -0.724 55.147 55.803 0.114 0.000 0.805 52 Q CB 0.710 29.489 28.738 0.067 0.000 1.457 52 Q HN 0.482 nan 8.270 nan 0.000 0.394 53 H N 1.794 120.872 119.070 0.013 0.000 2.640 53 H HA 0.286 4.842 4.556 0.000 0.000 0.297 53 H C 0.505 175.850 175.328 0.028 0.000 1.073 53 H CA -0.376 55.686 56.048 0.022 0.000 1.305 53 H CB 1.223 30.990 29.762 0.008 0.000 1.404 53 H HN 0.481 nan 8.280 nan 0.000 0.459 54 L N 2.897 124.189 121.223 0.115 0.000 2.492 54 L HA 0.139 4.479 4.340 0.000 0.000 0.223 54 L C 1.288 178.198 176.870 0.067 0.000 1.132 54 L CA 0.444 55.330 54.840 0.077 0.000 0.850 54 L CB -0.132 41.962 42.059 0.058 0.000 0.966 54 L HN 0.886 nan 8.230 nan 0.000 0.454 55 G N 0.339 109.183 108.800 0.073 0.000 2.685 55 G HA2 -0.220 3.740 3.960 0.000 0.000 0.387 55 G HA3 -0.220 3.740 3.960 0.000 0.000 0.387 55 G C -0.009 174.927 174.900 0.060 0.000 1.324 55 G CA -0.453 44.684 45.100 0.062 0.000 0.878 55 G HN 0.302 nan 8.290 nan 0.000 0.527 56 E N 0.213 120.447 120.200 0.057 0.000 2.165 56 E HA -0.246 4.104 4.350 0.000 0.000 0.203 56 E C 0.724 177.407 176.600 0.139 0.000 1.335 56 E CA 0.768 57.209 56.400 0.068 0.000 0.708 56 E CB -1.004 28.712 29.700 0.028 0.000 1.105 56 E HN 0.907 nan 8.360 nan 0.000 0.346 57 N N -0.481 118.299 118.700 0.134 0.000 2.708 57 N HA -0.177 4.563 4.740 0.000 0.000 0.251 57 N C -0.836 174.833 175.510 0.265 0.000 1.017 57 N CA 1.886 55.030 53.050 0.157 0.000 0.742 57 N CB -0.976 37.608 38.487 0.161 0.000 0.943 57 N HN 0.264 nan 8.380 nan 0.000 0.539 58 T N -0.699 113.961 114.554 0.177 0.000 2.893 58 T HA 0.671 5.021 4.350 0.000 0.000 0.291 58 T C 0.307 175.049 174.700 0.070 0.000 1.028 58 T CA -0.711 61.492 62.100 0.172 0.000 0.995 58 T CB 2.727 71.673 68.868 0.131 0.000 1.051 58 T HN 0.108 nan 8.240 nan 0.000 0.470 59 V N 0.665 120.640 119.914 0.101 0.000 2.769 59 V HA 0.769 4.889 4.120 0.000 0.000 0.312 59 V C -0.329 175.819 176.094 0.090 0.000 1.061 59 V CA -1.375 60.961 62.300 0.060 0.000 0.931 59 V CB 1.752 33.598 31.823 0.039 0.000 1.010 59 V HN 0.833 nan 8.190 nan 0.000 0.433 60 R N 1.951 122.503 120.500 0.086 0.000 2.368 60 R HA 0.750 5.090 4.340 0.000 0.000 0.302 60 R C -0.136 176.209 176.300 0.074 0.000 1.002 60 R CA 0.334 56.477 56.100 0.071 0.000 0.929 60 R CB 1.469 31.804 30.300 0.059 0.000 1.073 60 R HN 1.158 nan 8.270 nan 0.000 0.464 61 T N 1.249 115.840 114.554 0.062 0.000 2.906 61 T HA 0.523 4.873 4.350 0.000 0.000 0.295 61 T C -0.069 174.659 174.700 0.046 0.000 1.061 61 T CA -0.881 61.255 62.100 0.061 0.000 1.000 61 T CB 1.184 70.093 68.868 0.068 0.000 1.103 61 T HN 0.415 nan 8.240 nan 0.000 0.486 62 I N 1.739 122.337 120.570 0.046 0.000 2.354 62 I HA 0.586 4.756 4.170 0.000 0.000 0.292 62 I C 0.648 176.789 176.117 0.040 0.000 0.989 62 I CA -1.207 60.116 61.300 0.040 0.000 1.188 62 I CB 1.511 39.536 38.000 0.042 0.000 1.342 62 I HN 0.936 nan 8.210 nan 0.000 0.457 63 A N 6.908 129.747 122.820 0.031 0.000 2.354 63 A HA 0.468 4.788 4.320 0.000 0.000 0.269 63 A C 0.773 178.375 177.584 0.029 0.000 1.109 63 A CA -0.412 51.643 52.037 0.029 0.000 0.800 63 A CB 0.639 19.651 19.000 0.022 0.000 1.045 63 A HN 0.780 nan 8.150 nan 0.000 0.489 64 M N 0.691 120.309 119.600 0.030 0.000 2.495 64 M HA 0.166 4.646 4.480 0.000 0.000 0.237 64 M C 0.070 176.384 176.300 0.023 0.000 1.131 64 M CA 0.838 56.156 55.300 0.029 0.000 1.032 64 M CB -0.779 31.839 32.600 0.030 0.000 1.513 64 M HN 0.753 nan 8.290 nan 0.000 0.488 65 D N -1.090 119.322 120.400 0.019 0.000 2.599 65 D HA 0.325 4.965 4.640 0.000 0.000 0.252 65 D C -0.531 175.776 176.300 0.012 0.000 1.232 65 D CA -0.222 53.787 54.000 0.015 0.000 0.819 65 D CB 2.389 43.198 40.800 0.014 0.000 1.401 65 D HN 0.156 nan 8.370 nan 0.000 0.429 66 G N -0.195 108.610 108.800 0.009 0.000 2.257 66 G HA2 0.102 4.062 3.960 0.000 0.000 0.235 66 G HA3 0.102 4.062 3.960 0.000 0.000 0.235 66 G C 0.863 175.767 174.900 0.006 0.000 1.225 66 G CA 0.711 45.816 45.100 0.007 0.000 0.878 66 G HN 0.399 nan 8.290 nan 0.000 0.505 67 T N -0.828 113.729 114.554 0.005 0.000 3.186 67 T HA 0.229 4.579 4.350 0.000 0.000 0.257 67 T C 0.335 175.036 174.700 0.002 0.000 1.029 67 T CA -0.303 61.800 62.100 0.004 0.000 0.916 67 T CB 0.036 68.907 68.868 0.005 0.000 1.041 67 T HN 0.555 nan 8.240 nan 0.000 0.562 68 E N 1.530 121.731 120.200 0.002 0.000 2.465 68 E HA 0.429 4.779 4.350 0.000 0.000 0.260 68 E C 1.448 178.048 176.600 -0.000 0.000 0.980 68 E CA 0.808 57.208 56.400 0.000 0.000 0.927 68 E CB -0.339 29.361 29.700 0.001 0.000 0.934 68 E HN 0.356 nan 8.360 nan 0.000 0.459 69 G N 2.401 111.200 108.800 -0.002 0.000 2.241 69 G HA2 -0.301 3.659 3.960 0.000 0.000 0.244 69 G HA3 -0.301 3.659 3.960 0.000 0.000 0.244 69 G C 0.182 175.079 174.900 -0.004 0.000 0.998 69 G CA -0.232 44.867 45.100 -0.003 0.000 0.621 69 G HN 0.444 nan 8.290 nan 0.000 0.519 70 L N 1.332 122.553 121.223 -0.004 0.000 2.540 70 L HA 0.371 4.712 4.340 0.000 0.000 0.276 70 L C 0.591 177.456 176.870 -0.008 0.000 1.212 70 L CA 0.058 54.895 54.840 -0.006 0.000 0.893 70 L CB 0.970 43.026 42.059 -0.005 0.000 1.138 70 L HN 0.045 nan 8.230 nan 0.000 0.491 71 V N 4.583 124.491 119.914 -0.011 0.000 2.513 71 V HA 0.330 4.450 4.120 0.000 0.000 0.299 71 V C 0.264 176.349 176.094 -0.016 0.000 1.035 71 V CA -0.930 61.362 62.300 -0.012 0.000 0.889 71 V CB 1.813 33.629 31.823 -0.012 0.000 0.988 71 V HN 0.669 nan 8.190 nan 0.000 0.440 72 R N 2.701 123.191 120.500 -0.016 0.000 2.486 72 R HA 0.335 4.675 4.340 0.000 0.000 0.303 72 R C 1.281 177.568 176.300 -0.022 0.000 0.958 72 R CA 1.198 57.286 56.100 -0.020 0.000 1.077 72 R CB -0.163 30.126 30.300 -0.019 0.000 0.921 72 R HN 1.169 nan 8.270 nan 0.000 0.406 73 G N 2.350 111.134 108.800 -0.027 0.000 2.541 73 G HA2 -0.262 3.698 3.960 0.000 0.000 0.201 73 G HA3 -0.262 3.698 3.960 0.000 0.000 0.201 73 G C -0.025 174.853 174.900 -0.037 0.000 1.026 73 G CA -0.257 44.826 45.100 -0.029 0.000 0.687 73 G HN 0.574 nan 8.290 nan 0.000 0.492 74 E N 1.816 121.996 120.200 -0.034 0.000 3.231 74 E HA 0.110 4.460 4.350 0.000 0.000 0.271 74 E C 0.712 177.280 176.600 -0.054 0.000 0.877 74 E CA 0.724 57.103 56.400 -0.036 0.000 0.973 74 E CB 0.269 29.951 29.700 -0.030 0.000 0.922 74 E HN 0.519 nan 8.360 nan 0.000 0.532 75 K N 2.642 123.013 120.400 -0.048 0.000 2.350 75 K HA 0.204 4.524 4.320 0.000 0.000 0.279 75 K C -1.157 175.406 176.600 -0.061 0.000 1.027 75 K CA -0.408 55.842 56.287 -0.062 0.000 0.969 75 K CB 0.608 33.084 32.500 -0.040 0.000 0.954 75 K HN 0.283 nan 8.250 nan 0.000 0.474 76 V N 5.798 125.657 119.914 -0.091 0.000 2.483 76 V HA 0.246 4.366 4.120 0.000 0.000 0.297 76 V C -0.599 175.499 176.094 0.007 0.000 1.027 76 V CA -1.031 61.234 62.300 -0.057 0.000 0.855 76 V CB 1.397 33.158 31.823 -0.104 0.000 0.995 76 V HN 0.686 nan 8.190 nan 0.000 0.424 77 L N 3.740 124.991 121.223 0.047 0.000 2.375 77 L HA 0.604 4.945 4.340 0.000 0.000 0.271 77 L C -0.207 176.738 176.870 0.125 0.000 1.107 77 L CA 0.325 55.212 54.840 0.078 0.000 0.806 77 L CB 1.383 43.469 42.059 0.045 0.000 1.146 77 L HN 0.795 nan 8.230 nan 0.000 0.447 78 D N 0.788 121.264 120.400 0.127 0.000 2.414 78 D HA 0.192 4.832 4.640 0.000 0.000 0.232 78 D C 0.899 177.223 176.300 0.040 0.000 1.070 78 D CA 0.120 54.174 54.000 0.091 0.000 0.839 78 D CB 1.289 42.118 40.800 0.049 0.000 1.079 78 D HN 0.677 nan 8.370 nan 0.000 0.521 79 T N 1.124 115.697 114.554 0.032 0.000 3.035 79 T HA 0.121 4.471 4.350 0.000 0.000 0.268 79 T C 1.582 176.286 174.700 0.005 0.000 1.109 79 T CA 0.513 62.624 62.100 0.018 0.000 1.119 79 T CB -0.451 68.428 68.868 0.018 0.000 0.900 79 T HN 0.844 nan 8.240 nan 0.000 0.503 80 G N 0.142 108.940 108.800 -0.004 0.000 2.225 80 G HA2 0.235 4.195 3.960 0.000 0.000 0.264 80 G HA3 0.235 4.195 3.960 0.000 0.000 0.264 80 G C 0.326 175.220 174.900 -0.010 0.000 1.060 80 G CA -0.199 44.891 45.100 -0.016 0.000 0.833 80 G HN 1.527 nan 8.290 nan 0.000 0.498 81 G N -1.429 107.370 108.800 -0.002 0.000 2.519 81 G HA2 0.682 4.642 3.960 0.000 0.000 0.292 81 G HA3 0.682 4.642 3.960 0.000 0.000 0.292 81 G C -3.396 171.516 174.900 0.020 0.000 1.507 81 G CA -0.366 44.737 45.100 0.005 0.000 0.806 81 G HN 0.224 nan 8.290 nan 0.000 0.523 82 P HA 0.350 nan 4.420 nan 0.000 0.275 82 P C 0.534 177.875 177.300 0.068 0.000 1.227 82 P CA -0.392 62.756 63.100 0.080 0.000 0.781 82 P CB 0.628 32.408 31.700 0.135 0.000 0.906 83 I N 1.140 121.756 120.570 0.076 0.000 3.310 83 I HA -0.185 3.986 4.170 0.000 0.000 0.345 83 I C 0.736 176.860 176.117 0.012 0.000 1.215 83 I CA 1.241 62.565 61.300 0.039 0.000 1.472 83 I CB -0.515 37.508 38.000 0.038 0.000 1.305 83 I HN 0.319 nan 8.210 nan 0.000 0.500 84 S N 5.487 121.182 115.700 -0.008 0.000 2.690 84 S HA 0.756 5.226 4.470 0.000 0.000 0.291 84 S C -0.297 174.273 174.600 -0.049 0.000 1.138 84 S CA -0.835 57.347 58.200 -0.031 0.000 1.013 84 S CB 2.126 65.305 63.200 -0.034 0.000 1.053 84 S HN 0.518 nan 8.310 nan 0.000 0.539 85 V N -0.965 118.905 119.914 -0.072 0.000 2.789 85 V HA 0.602 4.722 4.120 0.000 0.000 0.311 85 V C -3.164 172.857 176.094 -0.121 0.000 1.073 85 V CA -3.161 59.088 62.300 -0.086 0.000 0.921 85 V CB 1.120 32.892 31.823 -0.085 0.000 1.009 85 V HN 0.529 nan 8.190 nan 0.000 0.426 86 P HA 0.166 nan 4.420 nan 0.000 0.260 86 P C -0.141 177.025 177.300 -0.224 0.000 1.185 86 P CA 0.427 63.433 63.100 -0.155 0.000 0.763 86 P CB 0.510 32.141 31.700 -0.114 0.000 0.776 87 V N 1.557 121.255 119.914 -0.361 0.000 2.732 87 V HA 1.008 5.128 4.120 0.000 0.000 0.310 87 V C 0.332 176.026 176.094 -0.666 0.000 1.053 87 V CA -0.026 61.919 62.300 -0.591 0.000 0.957 87 V CB 1.173 32.442 31.823 -0.922 0.000 1.018 87 V HN 0.899 nan 8.190 nan 0.000 0.452 88 G N 3.221 111.627 108.800 -0.655 0.000 2.371 88 G HA2 -0.049 3.911 3.960 0.000 0.000 0.663 88 G HA3 -0.049 3.911 3.960 0.000 0.000 0.663 88 G C -0.117 174.671 174.900 -0.187 0.000 1.311 88 G CA -0.179 44.703 45.100 -0.363 0.000 0.985 88 G HN 0.844 nan 8.290 nan 0.000 0.566 89 R N -0.063 120.413 120.500 -0.040 0.000 2.189 89 R HA 0.039 4.379 4.340 0.000 0.000 0.218 89 R C 1.450 177.741 176.300 -0.016 0.000 1.074 89 R CA 0.945 57.058 56.100 0.020 0.000 0.991 89 R CB 0.035 30.359 30.300 0.039 0.000 0.883 89 R HN 0.489 nan 8.270 nan 0.000 0.457 90 E N 0.662 120.843 120.200 -0.032 0.000 2.505 90 E HA -0.064 4.286 4.350 0.000 0.000 0.197 90 E C 1.093 177.675 176.600 -0.029 0.000 1.111 90 E CA 0.892 57.275 56.400 -0.029 0.000 0.887 90 E CB 0.293 29.972 29.700 -0.036 0.000 0.913 90 E HN 0.419 nan 8.360 nan 0.000 0.517 91 T N -2.970 111.572 114.554 -0.021 0.000 3.022 91 T HA 0.173 4.524 4.350 0.000 0.000 0.250 91 T C 1.081 175.784 174.700 0.005 0.000 1.060 91 T CA -0.265 61.829 62.100 -0.009 0.000 1.013 91 T CB 0.109 68.975 68.868 -0.002 0.000 0.982 91 T HN -0.059 nan 8.240 nan 0.000 0.508 92 L N 2.063 123.281 121.223 -0.008 0.000 2.455 92 L HA 0.486 4.826 4.340 0.000 0.000 0.272 92 L C 1.679 178.555 176.870 0.011 0.000 1.174 92 L CA 0.805 55.626 54.840 -0.031 0.000 0.869 92 L CB 0.198 42.183 42.059 -0.124 0.000 1.130 92 L HN 0.523 nan 8.230 nan 0.000 0.474 93 G N 1.753 110.578 108.800 0.042 0.000 2.184 93 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 93 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 93 G C 0.435 175.395 174.900 0.100 0.000 0.975 93 G CA -0.267 44.890 45.100 0.095 0.000 0.642 93 G HN 0.471 nan 8.290 nan 0.000 0.536 94 R N -0.145 120.377 120.500 0.037 0.000 2.573 94 R HA 0.748 5.088 4.340 0.000 0.000 0.272 94 R C 0.402 176.670 176.300 -0.052 0.000 1.009 94 R CA -0.739 55.361 56.100 -0.000 0.000 1.059 94 R CB 0.792 31.086 30.300 -0.010 0.000 1.112 94 R HN 0.332 nan 8.270 nan 0.000 0.517 95 I N 2.411 122.924 120.570 -0.095 0.000 2.474 95 I HA 0.462 4.632 4.170 0.000 0.000 0.294 95 I C -0.129 175.953 176.117 -0.058 0.000 1.005 95 I CA -0.689 60.544 61.300 -0.111 0.000 1.113 95 I CB 1.532 39.435 38.000 -0.162 0.000 1.289 95 I HN 0.285 nan 8.210 nan 0.000 0.436 96 I N 4.828 125.365 120.570 -0.055 0.000 2.647 96 I HA 0.322 4.492 4.170 0.000 0.000 0.295 96 I C -0.136 175.974 176.117 -0.011 0.000 1.078 96 I CA -0.714 60.562 61.300 -0.039 0.000 1.048 96 I CB 1.867 39.831 38.000 -0.059 0.000 1.239 96 I HN 0.488 nan 8.210 nan 0.000 0.421 97 N N 2.368 121.068 118.700 -0.000 0.000 2.371 97 N HA 0.022 4.762 4.740 0.000 0.000 0.243 97 N C 1.104 176.612 175.510 -0.003 0.000 1.287 97 N CA -0.032 53.026 53.050 0.012 0.000 0.911 97 N CB 1.135 39.627 38.487 0.008 0.000 1.142 97 N HN 0.536 nan 8.380 nan 0.000 0.451 98 V N 1.688 121.608 119.914 0.009 0.000 2.453 98 V HA -0.189 3.932 4.120 0.000 0.000 0.252 98 V C 1.575 177.662 176.094 -0.013 0.000 1.068 98 V CA 1.842 64.140 62.300 -0.003 0.000 1.070 98 V CB -0.438 31.394 31.823 0.014 0.000 0.664 98 V HN 0.651 nan 8.190 nan 0.000 0.461 99 I N -2.537 118.030 120.570 -0.005 0.000 3.861 99 I HA 0.543 4.713 4.170 0.000 0.000 0.329 99 I C 1.535 177.641 176.117 -0.018 0.000 1.321 99 I CA 0.651 61.946 61.300 -0.007 0.000 1.126 99 I CB -0.198 37.803 38.000 0.003 0.000 1.018 99 I HN 0.316 nan 8.210 nan 0.000 0.407 100 G N 0.942 109.727 108.800 -0.026 0.000 2.336 100 G HA2 -0.351 3.610 3.960 0.000 0.000 0.233 100 G HA3 -0.351 3.610 3.960 0.000 0.000 0.233 100 G C 0.430 175.311 174.900 -0.031 0.000 1.053 100 G CA 0.252 45.330 45.100 -0.036 0.000 0.625 100 G HN 0.816 nan 8.290 nan 0.000 0.511 101 E N 2.750 122.938 120.200 -0.020 0.000 2.534 101 E HA 0.424 4.774 4.350 0.000 0.000 0.264 101 E C -1.874 174.716 176.600 -0.016 0.000 0.981 101 E CA 0.144 56.534 56.400 -0.016 0.000 0.948 101 E CB -0.661 29.034 29.700 -0.008 0.000 0.934 101 E HN 0.539 nan 8.360 nan 0.000 0.459 102 P HA 0.294 nan 4.420 nan 0.000 0.292 102 P C 0.206 177.498 177.300 -0.014 0.000 1.326 102 P CA -0.258 62.831 63.100 -0.019 0.000 0.787 102 P CB 0.319 32.008 31.700 -0.019 0.000 0.903 103 I N 0.321 120.883 120.570 -0.014 0.000 3.884 103 I HA 0.249 4.419 4.170 0.000 0.000 0.330 103 I C -0.013 176.088 176.117 -0.027 0.000 1.451 103 I CA -0.111 61.184 61.300 -0.009 0.000 1.165 103 I CB -0.431 37.576 38.000 0.011 0.000 1.097 103 I HN -0.008 nan 8.210 nan 0.000 0.404 104 D N -0.090 120.286 120.400 -0.040 0.000 2.463 104 D HA 0.080 4.720 4.640 0.000 0.000 0.224 104 D C 0.745 177.046 176.300 0.002 0.000 1.174 104 D CA -0.310 53.661 54.000 -0.050 0.000 0.829 104 D CB -0.045 40.691 40.800 -0.106 0.000 0.993 104 D HN 0.511 nan 8.370 nan 0.000 0.497 105 E N -0.366 119.835 120.200 0.003 0.000 4.145 105 E HA -0.316 4.034 4.350 0.000 0.000 0.296 105 E C 0.315 176.925 176.600 0.015 0.000 0.666 105 E CA 1.098 57.505 56.400 0.012 0.000 1.214 105 E CB -0.913 28.799 29.700 0.019 0.000 1.679 105 E HN 0.359 nan 8.360 nan 0.000 0.406 106 R N 1.556 122.069 120.500 0.022 0.000 4.510 106 R HA 0.173 4.513 4.340 0.000 0.000 0.170 106 R C 0.914 177.223 176.300 0.014 0.000 1.906 106 R CA 0.623 56.739 56.100 0.026 0.000 1.492 106 R CB -0.571 29.754 30.300 0.042 0.000 1.383 106 R HN 0.368 nan 8.270 nan 0.000 0.823 107 G N 2.611 111.416 108.800 0.009 0.000 2.682 107 G HA2 -0.288 3.672 3.960 0.000 0.000 0.256 107 G HA3 -0.288 3.672 3.960 0.000 0.000 0.256 107 G C -2.477 172.422 174.900 -0.001 0.000 1.333 107 G CA -0.949 44.154 45.100 0.004 0.000 0.904 107 G HN 0.330 nan 8.290 nan 0.000 0.569 108 P HA 0.508 nan 4.420 nan 0.000 0.290 108 P C 0.096 177.388 177.300 -0.014 0.000 1.276 108 P CA -0.658 62.435 63.100 -0.011 0.000 0.808 108 P CB 0.802 32.495 31.700 -0.012 0.000 0.966 109 I N 3.435 123.992 120.570 -0.021 0.000 2.574 109 I HA -0.040 4.130 4.170 0.000 0.000 0.291 109 I C 1.082 177.178 176.117 -0.034 0.000 1.131 109 I CA 0.489 61.772 61.300 -0.028 0.000 1.352 109 I CB -0.277 37.700 38.000 -0.039 0.000 1.431 109 I HN 0.132 nan 8.210 nan 0.000 0.543 110 K N 5.332 125.715 120.400 -0.028 0.000 3.192 110 K HA 0.091 4.412 4.320 0.000 0.000 0.269 110 K C 0.474 177.051 176.600 -0.038 0.000 1.270 110 K CA -0.240 56.030 56.287 -0.028 0.000 1.249 110 K CB -0.130 32.360 32.500 -0.017 0.000 1.528 110 K HN 0.666 nan 8.250 nan 0.000 0.360 111 S N -0.684 114.982 115.700 -0.057 0.000 2.617 111 S HA 0.238 4.708 4.470 0.000 0.000 0.269 111 S C 1.263 175.815 174.600 -0.080 0.000 1.292 111 S CA -0.560 57.592 58.200 -0.080 0.000 1.010 111 S CB 1.532 64.659 63.200 -0.122 0.000 0.944 111 S HN 0.370 nan 8.310 nan 0.000 0.536 112 K N 0.845 121.193 120.400 -0.085 0.000 2.459 112 K HA 0.464 4.784 4.320 0.000 0.000 0.193 112 K C 0.457 177.004 176.600 -0.089 0.000 1.030 112 K CA 0.644 56.891 56.287 -0.067 0.000 1.026 112 K CB -0.741 31.735 32.500 -0.040 0.000 0.809 112 K HN 0.686 nan 8.250 nan 0.000 0.504 113 L N -1.523 119.613 121.223 -0.146 0.000 2.491 113 L HA 0.569 4.910 4.340 0.000 0.000 0.254 113 L C -0.809 175.952 176.870 -0.181 0.000 1.048 113 L CA -1.159 53.584 54.840 -0.161 0.000 0.855 113 L CB 2.765 44.700 42.059 -0.206 0.000 1.466 113 L HN 0.058 nan 8.230 nan 0.000 0.409 114 R N 1.724 122.136 120.500 -0.146 0.000 2.797 114 R HA 0.312 4.652 4.340 0.000 0.000 0.274 114 R C -1.415 174.824 176.300 -0.101 0.000 1.652 114 R CA -0.648 55.377 56.100 -0.126 0.000 1.175 114 R CB 1.551 31.801 30.300 -0.084 0.000 1.283 114 R HN 0.444 nan 8.270 nan 0.000 0.513 115 K N 3.090 123.417 120.400 -0.122 0.000 2.144 115 K HA 0.348 4.668 4.320 0.000 0.000 0.270 115 K C -2.216 174.353 176.600 -0.051 0.000 1.005 115 K CA -1.835 54.408 56.287 -0.074 0.000 0.932 115 K CB 1.104 33.563 32.500 -0.067 0.000 1.021 115 K HN 0.183 nan 8.250 nan 0.000 0.462 116 P HA -0.022 nan 4.420 nan 0.000 0.269 116 P C 0.538 177.824 177.300 -0.023 0.000 1.209 116 P CA 0.132 63.233 63.100 0.001 0.000 0.776 116 P CB 0.343 32.065 31.700 0.036 0.000 0.876 117 I N -1.565 118.972 120.570 -0.056 0.000 3.251 117 I HA 0.080 4.250 4.170 0.000 0.000 0.277 117 I C 0.707 176.673 176.117 -0.252 0.000 1.268 117 I CA 0.516 61.720 61.300 -0.161 0.000 1.449 117 I CB -0.721 37.150 38.000 -0.216 0.000 1.083 117 I HN 0.215 nan 8.210 nan 0.000 0.464 118 H N 2.653 121.712 119.070 -0.017 0.000 2.552 118 H HA 0.779 5.335 4.556 0.000 0.000 0.311 118 H C -0.465 174.855 175.328 -0.013 0.000 1.071 118 H CA -0.254 55.786 56.048 -0.013 0.000 1.307 118 H CB 1.571 31.330 29.762 -0.005 0.000 1.416 118 H HN 0.404 nan 8.280 nan 0.000 0.464 119 A N 3.304 126.173 122.820 0.081 0.000 2.572 119 A HA 0.365 4.685 4.320 0.000 0.000 0.295 119 A C -1.003 176.605 177.584 0.040 0.000 1.072 119 A CA -0.988 51.077 52.037 0.047 0.000 0.691 119 A CB 1.477 20.487 19.000 0.017 0.000 1.291 119 A HN 0.539 nan 8.150 nan 0.000 0.404 120 D N 2.799 123.217 120.400 0.031 0.000 2.308 120 D HA 0.490 5.130 4.640 0.000 0.000 0.251 120 D C -1.983 174.329 176.300 0.020 0.000 1.127 120 D CA -0.542 53.474 54.000 0.027 0.000 0.876 120 D CB 0.678 41.492 40.800 0.023 0.000 1.176 120 D HN 0.327 nan 8.370 nan 0.000 0.446 121 P HA 0.154 nan 4.420 nan 0.000 0.270 121 P C -2.515 174.797 177.300 0.020 0.000 1.223 121 P CA -1.007 62.102 63.100 0.015 0.000 0.785 121 P CB -0.429 31.285 31.700 0.022 0.000 0.923 122 P HA 0.009 nan 4.420 nan 0.000 0.267 122 P C 0.460 177.779 177.300 0.032 0.000 1.200 122 P CA 0.152 63.259 63.100 0.013 0.000 0.772 122 P CB 0.168 31.866 31.700 -0.002 0.000 0.855 123 S N 1.826 117.548 115.700 0.036 0.000 2.626 123 S HA 0.117 4.587 4.470 0.000 0.000 0.257 123 S C 0.940 175.600 174.600 0.099 0.000 1.288 123 S CA -0.280 57.964 58.200 0.074 0.000 0.980 123 S CB -0.148 63.093 63.200 0.069 0.000 0.975 123 S HN 0.396 nan 8.310 nan 0.000 0.577 124 F N 1.111 121.063 119.950 0.005 0.000 2.186 124 F HA 0.128 4.655 4.527 0.000 0.000 0.299 124 F C 2.411 178.212 175.800 0.002 0.000 1.090 124 F CA 1.289 59.292 58.000 0.005 0.000 1.307 124 F CB -0.951 38.052 39.000 0.005 0.000 1.019 124 F HN 0.698 nan 8.300 nan 0.000 0.489 125 A N -0.029 122.810 122.820 0.032 0.000 1.972 125 A HA -0.182 4.138 4.320 0.000 0.000 0.219 125 A C 1.839 179.351 177.584 -0.119 0.000 1.169 125 A CA 1.699 53.703 52.037 -0.055 0.000 0.635 125 A CB -0.759 18.261 19.000 0.034 0.000 0.810 125 A HN 0.537 nan 8.150 nan 0.000 0.446 126 E N 0.290 120.439 120.200 -0.085 0.000 2.403 126 E HA 0.036 4.386 4.350 0.000 0.000 0.187 126 E C -0.257 176.281 176.600 -0.104 0.000 1.073 126 E CA -0.182 56.173 56.400 -0.074 0.000 0.888 126 E CB 0.151 29.831 29.700 -0.035 0.000 1.035 126 E HN 0.492 nan 8.360 nan 0.000 0.471 127 Q N 0.311 120.000 119.800 -0.185 0.000 2.261 127 Q HA 0.257 4.597 4.340 0.000 0.000 0.252 127 Q C -0.496 175.408 176.000 -0.160 0.000 0.915 127 Q CA -0.101 55.590 55.803 -0.187 0.000 0.915 127 Q CB 1.936 30.497 28.738 -0.294 0.000 1.204 127 Q HN -0.063 nan 8.270 nan 0.000 0.421 128 S N 1.605 117.242 115.700 -0.105 0.000 2.664 128 S HA 0.332 4.802 4.470 0.000 0.000 0.262 128 S C -0.664 173.899 174.600 -0.061 0.000 1.229 128 S CA -0.591 57.562 58.200 -0.080 0.000 1.151 128 S CB 0.224 63.389 63.200 -0.058 0.000 1.054 128 S HN 0.560 nan 8.310 nan 0.000 0.483 129 T N 2.001 116.517 114.554 -0.063 0.000 2.845 129 T HA 0.718 5.069 4.350 0.000 0.000 0.288 129 T C 0.326 175.010 174.700 -0.027 0.000 0.980 129 T CA -0.497 61.579 62.100 -0.041 0.000 1.071 129 T CB 1.267 70.111 68.868 -0.039 0.000 0.941 129 T HN 0.649 nan 8.240 nan 0.000 0.487 130 S N 0.992 116.683 115.700 -0.016 0.000 2.851 130 S HA 0.862 5.332 4.470 0.000 0.000 0.313 130 S C -0.912 173.687 174.600 -0.002 0.000 1.163 130 S CA -0.786 57.408 58.200 -0.009 0.000 0.850 130 S CB 1.418 64.613 63.200 -0.007 0.000 1.245 130 S HN 1.699 nan 8.310 nan 0.000 0.558 131 A N 0.529 123.350 122.820 0.002 0.000 2.872 131 A HA 0.668 4.988 4.320 0.000 0.000 0.305 131 A C -0.845 176.744 177.584 0.009 0.000 1.171 131 A CA -0.333 51.708 52.037 0.006 0.000 0.782 131 A CB 0.311 19.313 19.000 0.003 0.000 1.329 131 A HN 0.662 nan 8.150 nan 0.000 0.432 132 E N 1.931 122.140 120.200 0.016 0.000 2.260 132 E HA 0.444 4.794 4.350 0.000 0.000 0.266 132 E C -1.016 175.604 176.600 0.032 0.000 0.887 132 E CA -0.738 55.675 56.400 0.020 0.000 0.777 132 E CB 1.427 31.139 29.700 0.019 0.000 1.205 132 E HN 0.621 nan 8.360 nan 0.000 0.414 133 I N 3.325 123.914 120.570 0.032 0.000 2.618 133 I HA -0.042 4.128 4.170 0.000 0.000 0.284 133 I C 0.187 176.339 176.117 0.057 0.000 1.146 133 I CA -0.028 61.297 61.300 0.042 0.000 1.425 133 I CB -0.032 37.987 38.000 0.033 0.000 1.383 133 I HN 0.298 nan 8.210 nan 0.000 0.562 134 L N 6.975 128.247 121.223 0.082 0.000 2.287 134 L HA 0.311 4.651 4.340 0.000 0.000 0.280 134 L C 0.248 177.163 176.870 0.075 0.000 1.055 134 L CA -0.142 54.753 54.840 0.092 0.000 0.863 134 L CB 0.294 42.431 42.059 0.129 0.000 1.245 134 L HN 0.617 nan 8.230 nan 0.000 0.432 135 E N 2.112 122.343 120.200 0.051 0.000 2.328 135 E HA 0.002 4.352 4.350 0.000 0.000 0.265 135 E C 0.502 177.114 176.600 0.020 0.000 1.057 135 E CA 0.539 56.955 56.400 0.027 0.000 0.916 135 E CB 0.768 30.485 29.700 0.029 0.000 0.993 135 E HN 0.805 nan 8.360 nan 0.000 0.446 136 T N 1.195 115.738 114.554 -0.017 0.000 3.051 136 T HA 0.219 4.570 4.350 0.000 0.000 0.255 136 T C 1.465 176.137 174.700 -0.047 0.000 1.085 136 T CA 0.440 62.527 62.100 -0.022 0.000 1.109 136 T CB 0.283 69.108 68.868 -0.072 0.000 0.921 136 T HN 0.681 nan 8.240 nan 0.000 0.488 137 G N 1.620 110.395 108.800 -0.041 0.000 2.253 137 G HA2 -0.218 3.742 3.960 0.000 0.000 0.251 137 G HA3 -0.218 3.742 3.960 0.000 0.000 0.251 137 G C 0.056 174.941 174.900 -0.025 0.000 0.998 137 G CA 0.027 45.107 45.100 -0.032 0.000 0.621 137 G HN 0.648 nan 8.290 nan 0.000 0.524 138 I N 1.684 122.231 120.570 -0.040 0.000 2.396 138 I HA 0.214 4.384 4.170 0.000 0.000 0.289 138 I C 1.709 177.829 176.117 0.004 0.000 1.056 138 I CA -0.355 60.962 61.300 0.028 0.000 1.365 138 I CB 1.151 39.164 38.000 0.021 0.000 1.407 138 I HN 0.049 nan 8.210 nan 0.000 0.509 139 K N 4.284 124.688 120.400 0.007 0.000 1.991 139 K HA -0.188 4.132 4.320 0.000 0.000 0.212 139 K C 1.903 178.439 176.600 -0.106 0.000 1.049 139 K CA 1.919 58.171 56.287 -0.058 0.000 0.932 139 K CB -0.278 32.187 32.500 -0.059 0.000 0.717 139 K HN 0.708 nan 8.250 nan 0.000 0.441 140 V N -0.410 119.470 119.914 -0.056 0.000 2.282 140 V HA -0.248 3.872 4.120 0.000 0.000 0.249 140 V C 2.268 178.323 176.094 -0.064 0.000 1.057 140 V CA 1.765 64.023 62.300 -0.070 0.000 1.032 140 V CB -1.162 30.674 31.823 0.022 0.000 0.645 140 V HN 0.028 nan 8.190 nan 0.000 0.447 141 V N 1.344 121.233 119.914 -0.041 0.000 2.220 141 V HA -0.280 3.841 4.120 0.000 0.000 0.246 141 V C 2.558 178.570 176.094 -0.136 0.000 1.049 141 V CA 2.637 64.843 62.300 -0.157 0.000 1.003 141 V CB -1.091 30.504 31.823 -0.381 0.000 0.634 141 V HN 0.515 nan 8.190 nan 0.000 0.444 142 D N -0.252 120.083 120.400 -0.109 0.000 2.221 142 D HA -0.139 4.501 4.640 0.000 0.000 0.204 142 D C 1.836 178.177 176.300 0.068 0.000 0.982 142 D CA 1.139 55.124 54.000 -0.024 0.000 0.857 142 D CB -0.177 40.609 40.800 -0.023 0.000 0.934 142 D HN 0.403 nan 8.370 nan 0.000 0.475 143 L N -0.673 120.517 121.223 -0.055 0.000 2.168 143 L HA 0.108 4.449 4.340 0.000 0.000 0.203 143 L C 1.737 178.634 176.870 0.045 0.000 1.078 143 L CA 1.258 56.042 54.840 -0.093 0.000 0.780 143 L CB 0.066 41.870 42.059 -0.425 0.000 0.939 143 L HN -0.051 nan 8.230 nan 0.000 0.451 144 L N -1.208 119.985 121.223 -0.049 0.000 2.685 144 L HA 0.439 4.779 4.340 0.000 0.000 0.235 144 L C 0.613 177.464 176.870 -0.032 0.000 1.070 144 L CA 0.447 55.254 54.840 -0.056 0.000 0.888 144 L CB 0.180 42.183 42.059 -0.094 0.000 1.203 144 L HN 0.161 nan 8.230 nan 0.000 0.499 145 A N 1.148 123.958 122.820 -0.017 0.000 3.370 145 A HA 0.466 4.786 4.320 0.000 0.000 0.295 145 A C -2.670 174.933 177.584 0.031 0.000 1.030 145 A CA -0.890 51.160 52.037 0.023 0.000 0.883 145 A CB -0.140 18.897 19.000 0.061 0.000 1.191 145 A HN -0.163 nan 8.150 nan 0.000 0.507 146 P HA 0.163 nan 4.420 nan 0.000 0.271 146 P C -0.629 176.758 177.300 0.145 0.000 1.220 146 P CA 0.345 63.445 63.100 -0.000 0.000 0.768 146 P CB 0.432 32.125 31.700 -0.012 0.000 0.848 147 Y N 1.468 121.799 120.300 0.051 0.000 2.426 147 Y HA 0.312 4.863 4.550 0.001 0.000 0.344 147 Y C 1.217 177.132 175.900 0.026 0.000 1.256 147 Y CA -1.160 56.967 58.100 0.044 0.000 1.451 147 Y CB -0.207 38.288 38.460 0.059 0.000 1.342 147 Y HN 0.404 nan 8.280 nan 0.000 0.600 148 A N 3.320 126.246 122.820 0.176 0.000 2.318 148 A HA 0.535 4.855 4.320 0.000 0.000 0.317 148 A C -0.159 177.457 177.584 0.052 0.000 1.159 148 A CA -1.057 51.033 52.037 0.088 0.000 0.799 148 A CB 0.480 19.513 19.000 0.055 0.000 1.194 148 A HN 0.784 nan 8.150 nan 0.000 0.479 149 R N 1.323 121.852 120.500 0.049 0.000 2.502 149 R HA 0.282 4.622 4.340 0.000 0.000 0.292 149 R C 1.312 177.617 176.300 0.009 0.000 0.998 149 R CA 1.359 57.477 56.100 0.030 0.000 1.056 149 R CB 0.149 30.475 30.300 0.043 0.000 0.939 149 R HN 1.625 nan 8.270 nan 0.000 0.411 150 G N 1.939 110.733 108.800 -0.011 0.000 2.184 150 G HA2 -0.273 3.688 3.960 0.000 0.000 0.264 150 G HA3 -0.273 3.688 3.960 0.000 0.000 0.264 150 G C 0.519 175.401 174.900 -0.030 0.000 0.975 150 G CA 0.032 45.119 45.100 -0.021 0.000 0.642 150 G HN 0.877 nan 8.290 nan 0.000 0.536 151 G N -0.650 108.133 108.800 -0.029 0.000 2.543 151 G HA2 0.604 4.565 3.960 0.000 0.000 0.290 151 G HA3 0.604 4.565 3.960 0.000 0.000 0.290 151 G C -0.251 174.610 174.900 -0.065 0.000 1.310 151 G CA -0.532 44.551 45.100 -0.029 0.000 1.025 151 G HN 0.409 nan 8.290 nan 0.000 0.502 152 K N -0.387 119.980 120.400 -0.056 0.000 2.292 152 K HA 0.525 4.845 4.320 0.000 0.000 0.257 152 K C -1.109 175.424 176.600 -0.111 0.000 0.940 152 K CA -0.309 55.927 56.287 -0.085 0.000 0.811 152 K CB 2.252 34.727 32.500 -0.042 0.000 1.120 152 K HN 0.280 nan 8.250 nan 0.000 0.428 153 I N 1.363 121.817 120.570 -0.194 0.000 2.447 153 I HA 0.368 4.539 4.170 0.000 0.000 0.287 153 I C 0.051 176.028 176.117 -0.233 0.000 1.023 153 I CA -0.742 60.378 61.300 -0.300 0.000 1.083 153 I CB 2.216 39.840 38.000 -0.626 0.000 1.245 153 I HN 0.628 nan 8.210 nan 0.000 0.434 154 G N 6.539 115.255 108.800 -0.140 0.000 2.461 154 G HA2 0.746 4.706 3.960 0.000 0.000 0.323 154 G HA3 0.746 4.706 3.960 0.000 0.000 0.323 154 G C -0.980 173.857 174.900 -0.104 0.000 1.229 154 G CA -0.537 44.459 45.100 -0.174 0.000 0.941 154 G HN 0.460 nan 8.290 nan 0.000 0.477 155 L N 2.457 123.542 121.223 -0.230 0.000 2.313 155 L HA 0.397 4.737 4.340 0.000 0.000 0.273 155 L C -0.822 175.946 176.870 -0.170 0.000 1.028 155 L CA -0.608 54.150 54.840 -0.138 0.000 0.871 155 L CB 0.679 42.644 42.059 -0.157 0.000 1.242 155 L HN 0.329 nan 8.230 nan 0.000 0.434 156 F N 1.437 121.309 119.950 -0.130 0.000 2.396 156 F HA 0.730 5.257 4.527 0.000 0.000 0.343 156 F C 1.027 176.774 175.800 -0.088 0.000 1.104 156 F CA -0.535 57.390 58.000 -0.126 0.000 1.161 156 F CB 1.642 40.563 39.000 -0.131 0.000 1.146 156 F HN 0.391 nan 8.300 nan 0.000 0.522 157 G N 0.740 109.565 108.800 0.042 0.000 2.616 157 G HA2 0.503 4.464 3.960 0.000 0.000 0.294 157 G HA3 0.503 4.464 3.960 0.000 0.000 0.294 157 G C -0.680 174.157 174.900 -0.106 0.000 1.489 157 G CA -0.378 44.725 45.100 0.004 0.000 0.836 157 G HN 0.917 nan 8.290 nan 0.000 0.527 158 G N -0.510 108.217 108.800 -0.122 0.000 2.508 158 G HA2 0.671 4.631 3.960 0.000 0.000 0.278 158 G HA3 0.671 4.631 3.960 0.000 0.000 0.278 158 G C 0.753 175.662 174.900 0.015 0.000 1.389 158 G CA 0.342 45.309 45.100 -0.221 0.000 1.050 158 G HN 1.687 nan 8.290 nan 0.000 0.522 159 A N -1.329 121.570 122.820 0.132 0.000 2.545 159 A HA 0.493 4.814 4.320 0.000 0.000 0.253 159 A C 1.548 179.212 177.584 0.133 0.000 1.074 159 A CA 1.089 53.276 52.037 0.249 0.000 0.760 159 A CB -0.758 18.380 19.000 0.229 0.000 1.005 159 A HN 2.539 nan 8.150 nan 0.000 0.506 160 G N 1.084 109.961 108.800 0.129 0.000 2.225 160 G HA2 -0.194 3.767 3.960 0.000 0.000 0.267 160 G HA3 -0.194 3.767 3.960 0.000 0.000 0.267 160 G C 0.674 175.631 174.900 0.096 0.000 1.024 160 G CA 1.015 46.168 45.100 0.088 0.000 0.784 160 G HN 2.063 nan 8.290 nan 0.000 0.507 161 V N -4.064 115.917 119.914 0.112 0.000 3.174 161 V HA 0.653 4.773 4.120 0.000 0.000 0.254 161 V C 1.828 178.044 176.094 0.204 0.000 1.120 161 V CA 1.422 63.800 62.300 0.129 0.000 1.114 161 V CB 0.360 32.228 31.823 0.075 0.000 0.756 161 V HN 1.878 nan 8.190 nan 0.000 0.467 162 G N -0.219 108.697 108.800 0.193 0.000 3.288 162 G HA2 -0.089 3.871 3.960 0.000 0.000 0.219 162 G HA3 -0.089 3.871 3.960 0.000 0.000 0.219 162 G C 0.700 175.771 174.900 0.284 0.000 0.944 162 G CA 0.145 45.399 45.100 0.257 0.000 0.854 162 G HN 0.334 nan 8.290 nan 0.000 0.632 163 K N 0.438 120.964 120.400 0.209 0.000 2.001 163 K HA -0.105 4.215 4.320 0.000 0.000 0.214 163 K C 2.520 179.263 176.600 0.239 0.000 1.050 163 K CA 2.124 58.528 56.287 0.194 0.000 0.934 163 K CB -0.446 32.130 32.500 0.127 0.000 0.718 163 K HN 0.255 nan 8.250 nan 0.000 0.443 164 T N 1.372 116.044 114.554 0.196 0.000 2.652 164 T HA -0.127 4.223 4.350 0.000 0.000 0.267 164 T C 2.117 176.934 174.700 0.196 0.000 1.039 164 T CA 1.414 63.628 62.100 0.190 0.000 1.153 164 T CB -0.376 68.585 68.868 0.155 0.000 0.863 164 T HN -0.047 nan 8.240 nan 0.000 0.428 165 V N 0.856 120.889 119.914 0.198 0.000 2.392 165 V HA -0.158 3.962 4.120 0.000 0.000 0.249 165 V C 2.028 178.263 176.094 0.236 0.000 1.059 165 V CA 1.570 63.990 62.300 0.200 0.000 1.051 165 V CB -0.733 31.211 31.823 0.201 0.000 0.658 165 V HN 0.373 nan 8.190 nan 0.000 0.455 166 F N 0.103 120.174 119.950 0.202 0.000 2.102 166 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 166 F C 2.195 178.037 175.800 0.070 0.000 1.105 166 F CA 1.566 59.683 58.000 0.194 0.000 1.239 166 F CB -0.178 38.980 39.000 0.263 0.000 0.991 166 F HN 0.031 nan 8.300 nan 0.000 0.474 167 I N -0.186 120.601 120.570 0.362 0.000 2.264 167 I HA -0.337 3.833 4.170 0.000 0.000 0.248 167 I C 2.250 178.386 176.117 0.032 0.000 1.111 167 I CA 1.385 62.822 61.300 0.228 0.000 1.382 167 I CB -0.739 37.394 38.000 0.220 0.000 1.060 167 I HN 0.314 nan 8.210 nan 0.000 0.418 168 Q N 0.310 120.121 119.800 0.018 0.000 2.084 168 Q HA -0.274 4.067 4.340 0.000 0.000 0.202 168 Q C 2.090 177.992 176.000 -0.162 0.000 0.978 168 Q CA 1.685 57.444 55.803 -0.073 0.000 0.844 168 Q CB -0.132 28.594 28.738 -0.021 0.000 0.898 168 Q HN 0.396 nan 8.270 nan 0.000 0.426 169 E N 0.944 120.986 120.200 -0.263 0.000 2.106 169 E HA -0.124 4.226 4.350 0.000 0.000 0.192 169 E C 1.835 178.232 176.600 -0.338 0.000 0.984 169 E CA 0.690 56.815 56.400 -0.459 0.000 0.806 169 E CB -0.121 28.909 29.700 -1.116 0.000 0.750 169 E HN 0.258 nan 8.360 nan 0.000 0.458 170 L N 0.025 121.120 121.223 -0.214 0.000 2.017 170 L HA -0.185 4.155 4.340 0.000 0.000 0.208 170 L C 2.402 179.258 176.870 -0.024 0.000 1.073 170 L CA 1.146 55.980 54.840 -0.010 0.000 0.745 170 L CB -0.422 41.784 42.059 0.244 0.000 0.894 170 L HN 0.234 nan 8.230 nan 0.000 0.432 171 I N -0.099 120.345 120.570 -0.210 0.000 2.076 171 I HA -0.356 3.814 4.170 0.000 0.000 0.237 171 I C 2.332 178.372 176.117 -0.127 0.000 1.059 171 I CA 1.864 62.980 61.300 -0.307 0.000 1.317 171 I CB -0.451 37.271 38.000 -0.462 0.000 1.037 171 I HN 0.320 nan 8.210 nan 0.000 0.398 172 N N 0.963 119.581 118.700 -0.137 0.000 2.061 172 N HA -0.228 4.512 4.740 0.000 0.000 0.193 172 N C 1.608 177.075 175.510 -0.072 0.000 1.030 172 N CA 1.855 54.845 53.050 -0.100 0.000 0.856 172 N CB -0.065 38.351 38.487 -0.118 0.000 1.023 172 N HN 0.233 nan 8.380 nan 0.000 0.424 173 N N -0.153 118.494 118.700 -0.088 0.000 2.062 173 N HA -0.034 4.706 4.740 0.000 0.000 0.191 173 N C 1.682 177.190 175.510 -0.004 0.000 1.042 173 N CA 1.463 54.479 53.050 -0.057 0.000 0.845 173 N CB -0.245 38.188 38.487 -0.089 0.000 1.024 173 N HN 0.404 nan 8.380 nan 0.000 0.424 174 I N -0.006 120.579 120.570 0.026 0.000 2.731 174 I HA 0.097 4.267 4.170 0.000 0.000 0.260 174 I C 2.218 178.379 176.117 0.074 0.000 1.138 174 I CA 0.418 61.753 61.300 0.058 0.000 1.461 174 I CB -0.306 37.737 38.000 0.072 0.000 1.128 174 I HN -0.020 nan 8.210 nan 0.000 0.438 175 A N 1.683 124.557 122.820 0.091 0.000 1.845 175 A HA -0.205 4.115 4.320 0.000 0.000 0.215 175 A C 2.324 179.974 177.584 0.110 0.000 1.195 175 A CA 1.687 53.797 52.037 0.122 0.000 0.616 175 A CB -0.613 18.470 19.000 0.138 0.000 0.832 175 A HN 0.246 nan 8.150 nan 0.000 0.443 176 K N -0.658 119.778 120.400 0.059 0.000 2.127 176 K HA -0.202 4.118 4.320 0.000 0.000 0.212 176 K C 0.732 177.365 176.600 0.055 0.000 1.050 176 K CA 1.416 57.730 56.287 0.044 0.000 0.929 176 K CB -0.353 32.156 32.500 0.015 0.000 0.715 176 K HN 0.477 nan 8.250 nan 0.000 0.457 177 A N 0.455 123.315 122.820 0.067 0.000 2.842 177 A HA 0.239 4.559 4.320 0.000 0.000 0.339 177 A C -0.272 177.374 177.584 0.105 0.000 1.177 177 A CA -0.503 51.570 52.037 0.059 0.000 0.797 177 A CB 0.238 19.257 19.000 0.032 0.000 1.094 177 A HN 0.373 nan 8.150 nan 0.000 0.474 178 H N 0.549 119.610 119.070 -0.014 0.000 3.266 178 H HA 0.380 4.936 4.556 0.000 0.000 0.246 178 H C 1.439 176.728 175.328 -0.065 0.000 0.998 178 H CA 1.551 57.585 56.048 -0.023 0.000 1.152 178 H CB 0.763 30.525 29.762 -0.001 0.000 1.466 178 H HN 1.104 nan 8.280 nan 0.000 0.481 179 G N 0.073 108.713 108.800 -0.267 0.000 3.206 179 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 179 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 179 G C 1.080 175.677 174.900 -0.506 0.000 1.350 179 G CA 0.354 45.233 45.100 -0.369 0.000 0.836 179 G HN 0.842 nan 8.290 nan 0.000 0.548 180 G N -0.040 108.344 108.800 -0.693 0.000 2.611 180 G HA2 0.513 4.473 3.960 0.000 0.000 0.273 180 G HA3 0.513 4.473 3.960 0.000 0.000 0.273 180 G C -0.393 174.300 174.900 -0.345 0.000 1.305 180 G CA -0.210 44.583 45.100 -0.512 0.000 1.010 180 G HN 0.427 nan 8.290 nan 0.000 0.509 181 F N -0.408 119.478 119.950 -0.107 0.000 2.421 181 F HA 0.500 5.027 4.527 0.000 0.000 0.337 181 F C 0.888 176.601 175.800 -0.145 0.000 1.105 181 F CA -0.592 57.267 58.000 -0.234 0.000 1.049 181 F CB 1.875 40.447 39.000 -0.714 0.000 1.139 181 F HN 0.183 nan 8.300 nan 0.000 0.479 182 S N 1.256 117.047 115.700 0.152 0.000 2.654 182 S HA 0.768 5.238 4.470 0.000 0.000 0.283 182 S C -0.806 173.855 174.600 0.101 0.000 1.180 182 S CA -0.645 57.639 58.200 0.141 0.000 1.021 182 S CB 1.619 64.987 63.200 0.280 0.000 1.018 182 S HN 0.312 nan 8.310 nan 0.000 0.532 183 V N 2.880 122.869 119.914 0.124 0.000 2.569 183 V HA 0.429 4.549 4.120 0.000 0.000 0.301 183 V C -1.214 175.000 176.094 0.201 0.000 1.044 183 V CA -0.655 61.715 62.300 0.117 0.000 0.874 183 V CB 1.243 33.100 31.823 0.058 0.000 1.002 183 V HN 0.808 nan 8.190 nan 0.000 0.424 184 F N 3.433 123.420 119.950 0.061 0.000 2.427 184 F HA 0.700 5.227 4.527 -0.000 0.000 0.346 184 F C 0.373 176.100 175.800 -0.122 0.000 1.120 184 F CA 0.033 58.065 58.000 0.052 0.000 1.033 184 F CB 1.757 40.778 39.000 0.035 0.000 1.126 184 F HN 0.471 nan 8.300 nan 0.000 0.462 185 T N 4.972 119.344 114.554 -0.303 0.000 2.864 185 T HA 0.441 4.791 4.350 0.000 0.000 0.310 185 T C 0.143 174.740 174.700 -0.171 0.000 1.040 185 T CA -0.676 61.300 62.100 -0.208 0.000 0.977 185 T CB 0.958 69.719 68.868 -0.179 0.000 0.976 185 T HN 0.861 nan 8.240 nan 0.000 0.459 186 G N 1.755 110.671 108.800 0.193 0.000 2.380 186 G HA2 0.514 4.474 3.960 0.000 0.000 0.262 186 G HA3 0.514 4.474 3.960 0.000 0.000 0.262 186 G C -0.573 174.468 174.900 0.235 0.000 1.243 186 G CA -0.346 45.014 45.100 0.433 0.000 0.865 186 G HN 0.653 nan 8.290 nan 0.000 0.513 187 V N 2.193 122.189 119.914 0.138 0.000 2.447 187 V HA 0.601 4.721 4.120 0.000 0.000 0.292 187 V C 0.906 177.050 176.094 0.083 0.000 1.021 187 V CA 0.110 62.464 62.300 0.090 0.000 0.850 187 V CB 0.900 32.749 31.823 0.044 0.000 1.005 187 V HN 1.566 nan 8.190 nan 0.000 0.426 188 G N 3.113 111.957 108.800 0.073 0.000 2.249 188 G HA2 -0.189 3.772 3.960 0.000 0.000 0.273 188 G HA3 -0.189 3.772 3.960 0.000 0.000 0.273 188 G C 0.140 175.062 174.900 0.036 0.000 1.036 188 G CA 0.669 45.794 45.100 0.041 0.000 0.824 188 G HN 0.595 nan 8.290 nan 0.000 0.504 189 E N -0.850 119.387 120.200 0.061 0.000 2.639 189 E HA 0.453 4.803 4.350 0.000 0.000 0.219 189 E C 0.766 177.380 176.600 0.024 0.000 0.800 189 E CA -0.986 55.442 56.400 0.048 0.000 1.002 189 E CB 0.560 30.314 29.700 0.089 0.000 1.621 189 E HN 0.341 nan 8.360 nan 0.000 0.396 190 R N 0.507 121.016 120.500 0.016 0.000 2.316 190 R HA 0.183 4.523 4.340 0.000 0.000 0.314 190 R C 1.144 177.401 176.300 -0.071 0.000 1.069 190 R CA 0.085 56.174 56.100 -0.018 0.000 0.959 190 R CB 0.323 30.619 30.300 -0.006 0.000 0.987 190 R HN 0.407 nan 8.270 nan 0.000 0.446 191 T N 2.428 116.928 114.554 -0.089 0.000 2.699 191 T HA -0.246 4.104 4.350 0.000 0.000 0.268 191 T C 1.808 176.408 174.700 -0.167 0.000 1.036 191 T CA 1.581 63.586 62.100 -0.158 0.000 1.147 191 T CB -0.148 68.654 68.868 -0.110 0.000 0.862 191 T HN 0.564 nan 8.240 nan 0.000 0.446 192 R N 1.012 121.455 120.500 -0.094 0.000 2.096 192 R HA -0.172 4.168 4.340 0.000 0.000 0.240 192 R C 2.213 178.466 176.300 -0.078 0.000 1.139 192 R CA 2.004 58.063 56.100 -0.070 0.000 0.952 192 R CB -0.239 30.042 30.300 -0.032 0.000 0.854 192 R HN 0.512 nan 8.270 nan 0.000 0.436 193 E N -0.877 119.282 120.200 -0.068 0.000 2.118 193 E HA -0.154 4.196 4.350 0.000 0.000 0.195 193 E C 1.886 178.414 176.600 -0.120 0.000 0.992 193 E CA 1.123 57.491 56.400 -0.053 0.000 0.804 193 E CB -0.235 29.469 29.700 0.006 0.000 0.741 193 E HN 0.635 nan 8.360 nan 0.000 0.458 194 G N 1.756 110.398 108.800 -0.263 0.000 2.453 194 G HA2 -0.354 3.606 3.960 0.000 0.000 0.215 194 G HA3 -0.354 3.606 3.960 0.000 0.000 0.215 194 G C 1.398 176.136 174.900 -0.270 0.000 1.201 194 G CA 0.866 45.644 45.100 -0.537 0.000 0.784 194 G HN 0.224 nan 8.290 nan 0.000 0.545 195 N N 1.150 119.728 118.700 -0.203 0.000 2.061 195 N HA -0.171 4.570 4.740 0.000 0.000 0.193 195 N C 1.717 177.230 175.510 0.004 0.000 1.030 195 N CA 1.938 54.964 53.050 -0.040 0.000 0.856 195 N CB -0.350 38.108 38.487 -0.048 0.000 1.023 195 N HN 0.163 nan 8.380 nan 0.000 0.424 196 D N 0.565 120.943 120.400 -0.037 0.000 2.123 196 D HA -0.136 4.504 4.640 0.000 0.000 0.196 196 D C 1.946 178.223 176.300 -0.038 0.000 0.992 196 D CA 0.599 54.580 54.000 -0.032 0.000 0.833 196 D CB -0.281 40.500 40.800 -0.031 0.000 0.954 196 D HN 0.275 nan 8.370 nan 0.000 0.455 197 L N -0.686 120.505 121.223 -0.054 0.000 2.072 197 L HA -0.113 4.227 4.340 0.000 0.000 0.205 197 L C 2.106 178.987 176.870 0.019 0.000 1.079 197 L CA 1.140 55.929 54.840 -0.084 0.000 0.752 197 L CB -0.397 41.523 42.059 -0.231 0.000 0.906 197 L HN 0.013 nan 8.230 nan 0.000 0.436 198 Y N 1.008 121.278 120.300 -0.050 0.000 2.070 198 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 198 Y C 2.892 178.778 175.900 -0.024 0.000 1.148 198 Y CA 2.283 60.380 58.100 -0.004 0.000 1.125 198 Y CB -0.554 37.923 38.460 0.030 0.000 0.975 198 Y HN 0.249 nan 8.280 nan 0.000 0.492 199 R N 0.231 120.674 120.500 -0.095 0.000 2.127 199 R HA -0.227 4.113 4.340 0.000 0.000 0.238 199 R C 2.064 178.276 176.300 -0.147 0.000 1.134 199 R CA 1.858 57.848 56.100 -0.183 0.000 0.975 199 R CB -0.346 29.901 30.300 -0.089 0.000 0.865 199 R HN 0.382 nan 8.270 nan 0.000 0.447 200 E N 1.042 121.183 120.200 -0.097 0.000 2.017 200 E HA -0.163 4.187 4.350 0.000 0.000 0.193 200 E C 2.035 178.580 176.600 -0.092 0.000 0.997 200 E CA 2.167 58.515 56.400 -0.086 0.000 0.804 200 E CB -0.156 29.498 29.700 -0.078 0.000 0.757 200 E HN 0.396 nan 8.360 nan 0.000 0.448 201 M N -0.176 119.373 119.600 -0.085 0.000 2.358 201 M HA -0.095 4.385 4.480 0.000 0.000 0.264 201 M C 1.998 178.248 176.300 -0.084 0.000 1.064 201 M CA 1.318 56.582 55.300 -0.060 0.000 1.093 201 M CB -0.385 32.210 32.600 -0.008 0.000 1.401 201 M HN -0.025 nan 8.290 nan 0.000 0.440 202 K N 1.052 121.354 120.400 -0.162 0.000 2.062 202 K HA -0.061 4.259 4.320 0.000 0.000 0.205 202 K C 1.282 177.817 176.600 -0.108 0.000 1.051 202 K CA 0.955 57.142 56.287 -0.167 0.000 0.941 202 K CB 0.092 32.423 32.500 -0.281 0.000 0.719 202 K HN 0.365 nan 8.250 nan 0.000 0.440 203 E N 0.013 120.151 120.200 -0.104 0.000 2.403 203 E HA -0.016 4.335 4.350 0.000 0.000 0.187 203 E C 0.155 176.722 176.600 -0.056 0.000 1.073 203 E CA 0.566 56.921 56.400 -0.075 0.000 0.888 203 E CB 0.422 30.078 29.700 -0.075 0.000 1.035 203 E HN 0.351 nan 8.360 nan 0.000 0.471 204 T N -5.264 109.259 114.554 -0.051 0.000 3.130 204 T HA 0.266 4.616 4.350 0.000 0.000 0.288 204 T C 1.375 176.061 174.700 -0.023 0.000 0.936 204 T CA 0.118 62.196 62.100 -0.036 0.000 0.897 204 T CB 0.822 69.667 68.868 -0.038 0.000 1.178 204 T HN 0.137 nan 8.240 nan 0.000 0.543 205 G N 1.171 109.956 108.800 -0.025 0.000 2.168 205 G HA2 -0.327 3.633 3.960 0.000 0.000 0.263 205 G HA3 -0.327 3.633 3.960 0.000 0.000 0.263 205 G C 0.879 175.783 174.900 0.006 0.000 0.977 205 G CA 0.485 45.579 45.100 -0.010 0.000 0.659 205 G HN 0.667 nan 8.290 nan 0.000 0.533 206 V N -0.081 119.837 119.914 0.007 0.000 2.488 206 V HA 0.223 4.343 4.120 0.000 0.000 0.246 206 V C 1.627 177.746 176.094 0.042 0.000 1.046 206 V CA 1.576 63.895 62.300 0.031 0.000 1.053 206 V CB -0.085 31.756 31.823 0.029 0.000 0.679 206 V HN 0.473 nan 8.190 nan 0.000 0.458 207 I N 0.919 121.503 120.570 0.022 0.000 2.354 207 I HA 0.323 4.493 4.170 0.000 0.000 0.292 207 I C -0.320 175.801 176.117 0.007 0.000 0.989 207 I CA -0.038 61.282 61.300 0.033 0.000 1.188 207 I CB 1.384 39.414 38.000 0.050 0.000 1.342 207 I HN 0.147 nan 8.210 nan 0.000 0.457 208 N N 5.313 124.027 118.700 0.024 0.000 2.531 208 N HA 0.360 5.100 4.740 0.000 0.000 0.268 208 N C 0.607 176.131 175.510 0.023 0.000 1.023 208 N CA -0.461 52.597 53.050 0.013 0.000 0.896 208 N CB 1.236 39.735 38.487 0.020 0.000 1.233 208 N HN 0.532 nan 8.380 nan 0.000 0.512 209 L N 1.915 123.147 121.223 0.015 0.000 2.131 209 L HA -0.054 4.287 4.340 0.000 0.000 0.210 209 L C 0.656 177.540 176.870 0.024 0.000 1.092 209 L CA 1.216 56.073 54.840 0.029 0.000 0.759 209 L CB -0.050 42.022 42.059 0.021 0.000 0.903 209 L HN 0.594 nan 8.230 nan 0.000 0.435 210 E N -0.325 119.884 120.200 0.015 0.000 2.542 210 E HA 0.358 4.708 4.350 0.000 0.000 0.224 210 E C 0.474 177.084 176.600 0.017 0.000 1.110 210 E CA 0.044 56.452 56.400 0.014 0.000 1.350 210 E CB 0.488 30.193 29.700 0.008 0.000 1.302 210 E HN 0.407 nan 8.360 nan 0.000 0.435 211 G N 0.192 109.005 108.800 0.022 0.000 2.552 211 G HA2 0.298 4.258 3.960 0.000 0.000 0.137 211 G HA3 0.298 4.258 3.960 0.000 0.000 0.137 211 G C -1.052 173.868 174.900 0.035 0.000 1.135 211 G CA -0.236 44.880 45.100 0.026 0.000 1.047 211 G HN 0.226 nan 8.290 nan 0.000 0.501 212 E N -0.701 119.525 120.200 0.043 0.000 2.318 212 E HA 0.797 5.147 4.350 0.000 0.000 0.265 212 E C -0.041 176.599 176.600 0.065 0.000 1.069 212 E CA 0.057 56.493 56.400 0.060 0.000 0.893 212 E CB 1.433 31.180 29.700 0.078 0.000 1.076 212 E HN 1.042 nan 8.360 nan 0.000 0.414 213 S N -0.203 115.544 115.700 0.078 0.000 2.661 213 S HA 0.556 5.026 4.470 0.000 0.000 0.285 213 S C 0.335 175.019 174.600 0.140 0.000 1.138 213 S CA -0.711 57.537 58.200 0.081 0.000 0.855 213 S CB 1.745 64.976 63.200 0.051 0.000 1.136 213 S HN 0.531 nan 8.310 nan 0.000 0.484 214 K N -0.039 120.450 120.400 0.148 0.000 2.435 214 K HA 0.348 4.668 4.320 0.000 0.000 0.199 214 K C -0.270 176.447 176.600 0.195 0.000 1.153 214 K CA 0.309 56.750 56.287 0.257 0.000 0.974 214 K CB 1.118 33.730 32.500 0.187 0.000 0.997 214 K HN 0.322 nan 8.250 nan 0.000 0.547 215 V N 0.690 120.663 119.914 0.099 0.000 2.864 215 V HA 0.719 4.839 4.120 0.000 0.000 0.314 215 V C -1.697 174.418 176.094 0.035 0.000 1.073 215 V CA -0.776 61.573 62.300 0.081 0.000 0.956 215 V CB 1.841 33.736 31.823 0.120 0.000 1.023 215 V HN 0.155 nan 8.190 nan 0.000 0.435 216 A N 6.253 129.092 122.820 0.032 0.000 2.342 216 A HA 0.848 5.168 4.320 0.000 0.000 0.323 216 A C -1.210 176.370 177.584 -0.006 0.000 1.125 216 A CA -0.663 51.387 52.037 0.021 0.000 0.785 216 A CB 1.136 20.171 19.000 0.058 0.000 1.221 216 A HN 0.812 nan 8.150 nan 0.000 0.463 217 L N 2.820 123.997 121.223 -0.076 0.000 2.313 217 L HA 0.590 4.930 4.340 0.000 0.000 0.283 217 L C -1.058 175.606 176.870 -0.344 0.000 1.013 217 L CA -0.815 53.878 54.840 -0.244 0.000 0.816 217 L CB 1.661 43.568 42.059 -0.253 0.000 1.236 217 L HN 0.430 nan 8.230 nan 0.000 0.419 218 V N 3.773 123.398 119.914 -0.480 0.000 2.525 218 V HA 0.483 4.603 4.120 0.000 0.000 0.299 218 V C -0.850 174.978 176.094 -0.443 0.000 1.034 218 V CA -0.433 61.661 62.300 -0.343 0.000 0.863 218 V CB 1.835 33.557 31.823 -0.169 0.000 0.999 218 V HN 0.376 nan 8.190 nan 0.000 0.423 219 F N 2.143 122.113 119.950 0.033 0.000 2.507 219 F HA 0.830 5.357 4.527 0.000 0.000 0.325 219 F C 0.649 176.460 175.800 0.019 0.000 1.116 219 F CA -1.066 56.958 58.000 0.040 0.000 0.930 219 F CB 2.534 41.550 39.000 0.027 0.000 1.146 219 F HN 0.535 nan 8.300 nan 0.000 0.447 220 G N 3.777 112.725 108.800 0.246 0.000 2.975 220 G HA2 0.445 4.405 3.960 0.000 0.000 0.299 220 G HA3 0.445 4.405 3.960 0.000 0.000 0.299 220 G C -1.038 173.934 174.900 0.120 0.000 1.587 220 G CA -0.525 44.656 45.100 0.135 0.000 1.052 220 G HN 0.317 nan 8.290 nan 0.000 0.545 221 Q N 1.378 121.233 119.800 0.092 0.000 2.293 221 Q HA 0.330 4.670 4.340 0.000 0.000 0.216 221 Q C 1.746 177.763 176.000 0.029 0.000 1.003 221 Q CA -0.968 54.871 55.803 0.059 0.000 0.995 221 Q CB 1.095 29.842 28.738 0.016 0.000 1.172 221 Q HN 0.743 nan 8.270 nan 0.000 0.518 222 M N -0.241 119.368 119.600 0.014 0.000 2.740 222 M HA 0.015 4.495 4.480 0.000 0.000 0.230 222 M C 0.523 176.823 176.300 -0.001 0.000 1.100 222 M CA 0.871 56.173 55.300 0.003 0.000 1.047 222 M CB -0.378 32.218 32.600 -0.006 0.000 1.652 222 M HN 0.349 nan 8.290 nan 0.000 0.528 223 N N -0.053 118.648 118.700 0.000 0.000 2.325 223 N HA 0.042 4.782 4.740 0.000 0.000 0.182 223 N C -0.284 175.229 175.510 0.004 0.000 1.088 223 N CA 0.185 53.234 53.050 -0.001 0.000 0.879 223 N CB -0.081 38.403 38.487 -0.006 0.000 0.983 223 N HN 0.399 nan 8.380 nan 0.000 0.471 224 E N 2.081 122.287 120.200 0.010 0.000 2.331 224 E HA 0.318 4.668 4.350 0.000 0.000 0.272 224 E C -2.157 174.449 176.600 0.011 0.000 1.036 224 E CA -1.956 54.453 56.400 0.015 0.000 0.864 224 E CB 0.513 30.229 29.700 0.026 0.000 1.035 224 E HN 0.152 nan 8.360 nan 0.000 0.408 225 P HA -0.078 nan 4.420 nan 0.000 0.267 225 P C -1.727 175.577 177.300 0.007 0.000 1.195 225 P CA -0.571 62.533 63.100 0.007 0.000 0.773 225 P CB 0.011 31.717 31.700 0.011 0.000 0.837 226 P HA -0.111 nan 4.420 nan 0.000 0.226 226 P C 1.353 178.656 177.300 0.005 0.000 1.153 226 P CA 1.431 64.527 63.100 -0.008 0.000 0.777 226 P CB -0.303 31.385 31.700 -0.020 0.000 0.794 227 G N 1.245 110.054 108.800 0.015 0.000 2.484 227 G HA2 -0.229 3.731 3.960 0.000 0.000 0.215 227 G HA3 -0.229 3.731 3.960 0.000 0.000 0.215 227 G C 1.821 176.745 174.900 0.040 0.000 1.219 227 G CA 1.227 46.345 45.100 0.030 0.000 0.791 227 G HN 0.316 nan 8.290 nan 0.000 0.550 228 A N 0.842 123.683 122.820 0.034 0.000 1.873 228 A HA -0.139 4.181 4.320 0.000 0.000 0.218 228 A C 2.416 180.028 177.584 0.047 0.000 1.193 228 A CA 1.969 54.028 52.037 0.038 0.000 0.629 228 A CB -0.538 18.483 19.000 0.034 0.000 0.826 228 A HN 0.364 nan 8.150 nan 0.000 0.447 229 R N -0.850 119.675 120.500 0.042 0.000 2.193 229 R HA -0.054 4.286 4.340 0.000 0.000 0.229 229 R C 2.223 178.577 176.300 0.090 0.000 1.110 229 R CA 0.938 57.068 56.100 0.050 0.000 0.988 229 R CB -0.330 29.982 30.300 0.019 0.000 0.871 229 R HN 0.567 nan 8.270 nan 0.000 0.458 230 A N 0.385 123.259 122.820 0.090 0.000 1.975 230 A HA 0.008 4.328 4.320 0.000 0.000 0.215 230 A C 1.907 179.645 177.584 0.257 0.000 1.170 230 A CA 0.613 52.751 52.037 0.167 0.000 0.656 230 A CB 0.151 19.190 19.000 0.065 0.000 0.821 230 A HN 0.033 nan 8.150 nan 0.000 0.449 231 R N -1.146 119.426 120.500 0.121 0.000 2.206 231 R HA 0.112 4.452 4.340 0.000 0.000 0.198 231 R C 1.918 178.206 176.300 -0.020 0.000 0.986 231 R CA 0.927 57.056 56.100 0.049 0.000 1.029 231 R CB -1.143 29.178 30.300 0.034 0.000 0.966 231 R HN 0.350 nan 8.270 nan 0.000 0.487 232 V N 1.773 121.689 119.914 0.003 0.000 2.469 232 V HA -0.228 3.892 4.120 0.000 0.000 0.251 232 V C 2.135 178.186 176.094 -0.071 0.000 1.064 232 V CA 2.084 64.370 62.300 -0.022 0.000 1.066 232 V CB -0.465 31.368 31.823 0.017 0.000 0.667 232 V HN 0.320 nan 8.190 nan 0.000 0.461 233 A N -0.754 122.007 122.820 -0.098 0.000 2.070 233 A HA -0.076 4.244 4.320 0.000 0.000 0.220 233 A C 2.080 179.528 177.584 -0.227 0.000 1.159 233 A CA 1.748 53.669 52.037 -0.193 0.000 0.656 233 A CB -0.369 18.443 19.000 -0.314 0.000 0.800 233 A HN 0.598 nan 8.150 nan 0.000 0.453 234 L N -1.693 119.402 121.223 -0.213 0.000 2.162 234 L HA -0.061 4.280 4.340 0.000 0.000 0.205 234 L C 2.672 179.440 176.870 -0.170 0.000 1.086 234 L CA 1.313 56.019 54.840 -0.223 0.000 0.778 234 L CB -1.019 40.868 42.059 -0.286 0.000 0.928 234 L HN 0.277 nan 8.230 nan 0.000 0.446 235 T N 0.320 114.791 114.554 -0.138 0.000 2.595 235 T HA -0.157 4.193 4.350 0.000 0.000 0.264 235 T C 1.882 176.526 174.700 -0.093 0.000 1.058 235 T CA 1.750 63.787 62.100 -0.105 0.000 1.166 235 T CB -0.620 68.200 68.868 -0.081 0.000 0.863 235 T HN 0.531 nan 8.240 nan 0.000 0.415 236 G N 1.745 110.487 108.800 -0.097 0.000 2.556 236 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 236 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 236 G C 1.528 176.386 174.900 -0.069 0.000 1.156 236 G CA 1.260 46.309 45.100 -0.086 0.000 0.766 236 G HN 0.400 nan 8.290 nan 0.000 0.583 237 L N 1.031 122.193 121.223 -0.102 0.000 1.989 237 L HA -0.053 4.287 4.340 0.000 0.000 0.211 237 L C 2.977 179.818 176.870 -0.049 0.000 1.071 237 L CA 2.818 57.604 54.840 -0.091 0.000 0.749 237 L CB -1.288 40.687 42.059 -0.139 0.000 0.890 237 L HN 0.249 nan 8.230 nan 0.000 0.431 238 T N 0.141 114.657 114.554 -0.064 0.000 2.699 238 T HA -0.215 4.135 4.350 0.000 0.000 0.268 238 T C 2.023 176.716 174.700 -0.011 0.000 1.036 238 T CA 2.097 64.170 62.100 -0.045 0.000 1.147 238 T CB -0.406 68.419 68.868 -0.071 0.000 0.862 238 T HN 0.356 nan 8.240 nan 0.000 0.446 239 I N 1.281 121.844 120.570 -0.011 0.000 2.208 239 I HA -0.204 3.966 4.170 0.000 0.000 0.245 239 I C 2.859 179.083 176.117 0.179 0.000 1.097 239 I CA 1.218 62.534 61.300 0.027 0.000 1.363 239 I CB -0.434 37.596 38.000 0.049 0.000 1.051 239 I HN 0.207 nan 8.210 nan 0.000 0.413 240 A N -0.027 122.899 122.820 0.176 0.000 2.015 240 A HA -0.174 4.146 4.320 0.000 0.000 0.219 240 A C 2.170 179.870 177.584 0.194 0.000 1.163 240 A CA 1.324 53.505 52.037 0.239 0.000 0.646 240 A CB -0.432 18.623 19.000 0.092 0.000 0.806 240 A HN 0.431 nan 8.150 nan 0.000 0.448 241 E N -1.817 118.446 120.200 0.105 0.000 2.107 241 E HA -0.141 4.209 4.350 0.000 0.000 0.191 241 E C 1.707 178.353 176.600 0.077 0.000 0.982 241 E CA 0.964 57.406 56.400 0.070 0.000 0.809 241 E CB -0.231 29.487 29.700 0.031 0.000 0.756 241 E HN 0.758 nan 8.360 nan 0.000 0.459 242 Y N 0.253 120.503 120.300 -0.084 0.000 2.145 242 Y HA -0.262 4.289 4.550 0.000 0.000 0.286 242 Y C 1.718 177.524 175.900 -0.157 0.000 1.145 242 Y CA 1.581 59.572 58.100 -0.181 0.000 1.148 242 Y CB -0.226 38.032 38.460 -0.336 0.000 0.981 242 Y HN -0.017 nan 8.280 nan 0.000 0.507 243 F N -0.044 119.980 119.950 0.123 0.000 2.126 243 F HA -0.198 4.329 4.527 0.001 0.000 0.299 243 F C 2.742 178.552 175.800 0.018 0.000 1.096 243 F CA 1.967 60.024 58.000 0.095 0.000 1.255 243 F CB -0.826 38.293 39.000 0.199 0.000 0.997 243 F HN -0.052 nan 8.300 nan 0.000 0.479 244 R N 0.421 121.033 120.500 0.188 0.000 2.070 244 R HA -0.151 4.189 4.340 0.000 0.000 0.233 244 R C 1.722 178.022 176.300 -0.000 0.000 1.137 244 R CA 2.108 58.256 56.100 0.080 0.000 0.945 244 R CB -0.376 29.958 30.300 0.056 0.000 0.845 244 R HN 0.193 nan 8.270 nan 0.000 0.430 245 D N 0.189 120.557 120.400 -0.053 0.000 2.165 245 D HA -0.077 4.563 4.640 0.000 0.000 0.213 245 D C 1.501 177.697 176.300 -0.175 0.000 0.983 245 D CA 0.926 54.868 54.000 -0.097 0.000 0.881 245 D CB -0.186 40.562 40.800 -0.087 0.000 1.028 245 D HN 0.212 nan 8.370 nan 0.000 0.457 246 E N 0.701 120.684 120.200 -0.363 0.000 2.494 246 E HA 0.003 4.353 4.350 0.000 0.000 0.193 246 E C 0.578 176.962 176.600 -0.361 0.000 1.074 246 E CA 0.356 56.465 56.400 -0.484 0.000 0.867 246 E CB 0.415 29.520 29.700 -0.992 0.000 0.924 246 E HN 0.467 nan 8.360 nan 0.000 0.502 247 E N -0.996 119.086 120.200 -0.196 0.000 2.702 247 E HA 0.119 4.469 4.350 0.000 0.000 0.225 247 E C 0.825 177.440 176.600 0.024 0.000 0.942 247 E CA 0.259 56.641 56.400 -0.030 0.000 1.210 247 E CB 1.179 30.952 29.700 0.122 0.000 1.143 247 E HN 0.239 nan 8.360 nan 0.000 0.544 248 G N 2.081 110.876 108.800 -0.009 0.000 2.205 248 G HA2 -0.324 3.636 3.960 0.000 0.000 0.269 248 G HA3 -0.324 3.636 3.960 0.000 0.000 0.269 248 G C 0.509 175.417 174.900 0.014 0.000 0.977 248 G CA 0.615 45.712 45.100 -0.004 0.000 0.652 248 G HN 0.195 nan 8.290 nan 0.000 0.539 249 Q N 1.287 121.123 119.800 0.060 0.000 2.315 249 Q HA 0.110 4.450 4.340 0.000 0.000 0.289 249 Q C -0.041 175.979 176.000 0.033 0.000 1.044 249 Q CA 0.397 56.229 55.803 0.048 0.000 0.920 249 Q CB 0.476 29.311 28.738 0.161 0.000 1.214 249 Q HN 0.448 nan 8.270 nan 0.000 0.392 250 D N 2.193 122.585 120.400 -0.014 0.000 2.358 250 D HA 0.132 4.772 4.640 0.000 0.000 0.258 250 D C -0.494 175.862 176.300 0.093 0.000 1.223 250 D CA 0.116 54.135 54.000 0.030 0.000 0.886 250 D CB 0.905 41.714 40.800 0.015 0.000 1.120 250 D HN 0.088 nan 8.370 nan 0.000 0.482 251 V N 4.108 124.070 119.914 0.080 0.000 2.417 251 V HA 0.266 4.386 4.120 0.000 0.000 0.291 251 V C 0.441 176.513 176.094 -0.036 0.000 1.024 251 V CA -0.820 61.515 62.300 0.058 0.000 0.861 251 V CB 1.902 33.770 31.823 0.076 0.000 0.985 251 V HN 0.347 nan 8.190 nan 0.000 0.436 252 L N 5.615 126.784 121.223 -0.091 0.000 2.261 252 L HA 0.432 4.772 4.340 0.000 0.000 0.289 252 L C -0.546 176.109 176.870 -0.359 0.000 1.059 252 L CA -0.358 54.285 54.840 -0.329 0.000 0.816 252 L CB 1.201 43.044 42.059 -0.361 0.000 1.191 252 L HN 0.464 nan 8.230 nan 0.000 0.431 253 L N 4.698 125.646 121.223 -0.458 0.000 2.307 253 L HA 0.570 4.910 4.340 0.000 0.000 0.284 253 L C -1.169 175.356 176.870 -0.575 0.000 1.023 253 L CA 0.170 54.795 54.840 -0.358 0.000 0.810 253 L CB 1.071 43.000 42.059 -0.216 0.000 1.231 253 L HN 0.166 nan 8.230 nan 0.000 0.423 254 F N 5.938 125.785 119.950 -0.172 0.000 2.477 254 F HA 0.580 5.107 4.527 0.000 0.000 0.335 254 F C -0.124 175.360 175.800 -0.526 0.000 1.130 254 F CA -0.468 57.358 58.000 -0.290 0.000 0.948 254 F CB 1.427 40.307 39.000 -0.199 0.000 1.154 254 F HN 0.250 nan 8.300 nan 0.000 0.439 255 I N 2.725 123.138 120.570 -0.262 0.000 2.433 255 I HA 0.407 4.577 4.170 0.000 0.000 0.292 255 I C -1.226 174.732 176.117 -0.266 0.000 1.001 255 I CA -0.583 60.527 61.300 -0.317 0.000 1.119 255 I CB 2.076 39.944 38.000 -0.220 0.000 1.289 255 I HN 0.426 nan 8.210 nan 0.000 0.438 256 D N 5.540 125.781 120.400 -0.265 0.000 2.365 256 D HA 0.218 4.858 4.640 0.000 0.000 0.235 256 D C -1.458 174.865 176.300 0.038 0.000 1.368 256 D CA -0.337 53.627 54.000 -0.060 0.000 1.001 256 D CB 0.990 41.819 40.800 0.049 0.000 1.364 256 D HN 0.401 nan 8.370 nan 0.000 0.577 257 N N 3.977 122.708 118.700 0.051 0.000 2.284 257 N HA 0.223 4.963 4.740 0.000 0.000 0.300 257 N C 0.410 175.950 175.510 0.051 0.000 1.047 257 N CA -0.556 52.526 53.050 0.053 0.000 0.821 257 N CB 1.731 40.286 38.487 0.114 0.000 1.337 257 N HN 0.369 nan 8.380 nan 0.000 0.482 258 I N 3.479 124.058 120.570 0.015 0.000 2.830 258 I HA -0.035 4.135 4.170 0.000 0.000 0.263 258 I C 1.543 177.742 176.117 0.137 0.000 1.230 258 I CA 0.644 61.955 61.300 0.018 0.000 1.480 258 I CB -0.633 37.323 38.000 -0.074 0.000 1.095 258 I HN 0.603 nan 8.210 nan 0.000 0.455 259 F N 1.449 121.415 119.950 0.028 0.000 2.146 259 F HA -0.138 4.389 4.527 0.001 0.000 0.298 259 F C 2.257 178.115 175.800 0.096 0.000 1.096 259 F CA 1.286 59.328 58.000 0.070 0.000 1.275 259 F CB -0.376 38.694 39.000 0.116 0.000 1.008 259 F HN -0.061 nan 8.300 nan 0.000 0.480 260 R N 0.153 120.626 120.500 -0.045 0.000 2.249 260 R HA -0.202 4.138 4.340 0.000 0.000 0.230 260 R C 2.061 178.279 176.300 -0.138 0.000 1.121 260 R CA 1.254 57.258 56.100 -0.161 0.000 0.997 260 R CB -1.818 28.483 30.300 0.002 0.000 0.867 260 R HN 0.525 nan 8.270 nan 0.000 0.465 261 F N 1.148 120.983 119.950 -0.191 0.000 2.234 261 F HA -0.054 4.473 4.527 -0.000 0.000 0.296 261 F C 1.821 177.527 175.800 -0.158 0.000 1.089 261 F CA 1.232 59.147 58.000 -0.142 0.000 1.343 261 F CB -0.280 38.655 39.000 -0.108 0.000 1.040 261 F HN -0.170 nan 8.300 nan 0.000 0.498 262 T N 0.302 114.515 114.554 -0.569 0.000 2.812 262 T HA -0.187 4.163 4.350 0.000 0.000 0.264 262 T C 1.882 176.331 174.700 -0.417 0.000 1.042 262 T CA 1.487 63.224 62.100 -0.605 0.000 1.140 262 T CB -0.360 68.310 68.868 -0.330 0.000 0.870 262 T HN 0.420 nan 8.240 nan 0.000 0.445 263 Q N 0.747 120.226 119.800 -0.535 0.000 2.061 263 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 263 Q C 2.511 178.371 176.000 -0.233 0.000 0.984 263 Q CA 1.602 57.165 55.803 -0.400 0.000 0.846 263 Q CB -0.332 28.010 28.738 -0.661 0.000 0.902 263 Q HN 0.524 nan 8.270 nan 0.000 0.421 264 A N 0.479 123.153 122.820 -0.244 0.000 1.873 264 A HA -0.183 4.137 4.320 0.000 0.000 0.218 264 A C 2.261 179.753 177.584 -0.154 0.000 1.193 264 A CA 1.873 53.817 52.037 -0.154 0.000 0.629 264 A CB -1.487 17.446 19.000 -0.112 0.000 0.826 264 A HN 0.614 nan 8.150 nan 0.000 0.447 265 G N -0.765 107.886 108.800 -0.249 0.000 2.559 265 G HA2 -0.035 3.925 3.960 0.000 0.000 0.216 265 G HA3 -0.035 3.925 3.960 0.000 0.000 0.216 265 G C 1.613 176.450 174.900 -0.106 0.000 1.126 265 G CA 1.486 46.463 45.100 -0.206 0.000 0.778 265 G HN 0.925 nan 8.290 nan 0.000 0.543 266 S N -0.525 115.128 115.700 -0.078 0.000 2.548 266 S HA 0.167 4.637 4.470 0.000 0.000 0.215 266 S C 1.569 176.145 174.600 -0.041 0.000 0.976 266 S CA 0.353 58.543 58.200 -0.016 0.000 0.908 266 S CB 0.176 63.399 63.200 0.039 0.000 0.781 266 S HN 0.508 nan 8.310 nan 0.000 0.519 267 E N 1.225 121.393 120.200 -0.052 0.000 2.250 267 E HA -0.001 4.350 4.350 0.000 0.000 0.192 267 E C 2.022 178.606 176.600 -0.026 0.000 0.986 267 E CA 1.041 57.417 56.400 -0.040 0.000 0.849 267 E CB 0.054 29.729 29.700 -0.041 0.000 0.797 267 E HN 0.617 nan 8.360 nan 0.000 0.482 268 V N -1.630 118.268 119.914 -0.027 0.000 2.685 268 V HA -0.042 4.078 4.120 0.000 0.000 0.244 268 V C 2.318 178.408 176.094 -0.007 0.000 1.054 268 V CA 1.080 63.372 62.300 -0.014 0.000 1.076 268 V CB -0.024 31.793 31.823 -0.011 0.000 0.725 268 V HN 0.093 nan 8.190 nan 0.000 0.467 269 S N 1.435 117.129 115.700 -0.009 0.000 2.393 269 S HA -0.345 4.126 4.470 0.000 0.000 0.234 269 S C 2.087 176.691 174.600 0.007 0.000 1.064 269 S CA 2.757 60.958 58.200 0.002 0.000 1.088 269 S CB -0.669 62.537 63.200 0.010 0.000 0.939 269 S HN 1.026 nan 8.310 nan 0.000 0.448 270 A N 0.874 123.696 122.820 0.003 0.000 1.897 270 A HA 0.172 4.492 4.320 0.000 0.000 0.215 270 A C 2.195 179.782 177.584 0.005 0.000 1.181 270 A CA 1.234 53.274 52.037 0.005 0.000 0.620 270 A CB -0.697 18.304 19.000 0.001 0.000 0.821 270 A HN 0.575 nan 8.150 nan 0.000 0.443 271 L N -0.538 120.687 121.223 0.003 0.000 2.127 271 L HA -0.160 4.180 4.340 0.000 0.000 0.211 271 L C 1.988 178.864 176.870 0.010 0.000 1.089 271 L CA 0.833 55.677 54.840 0.005 0.000 0.757 271 L CB -0.565 41.496 42.059 0.004 0.000 0.899 271 L HN 0.333 nan 8.230 nan 0.000 0.434 272 L N 0.000 121.230 121.223 0.011 0.000 2.610 272 L HA 0.080 4.420 4.340 0.000 0.000 0.232 272 L C 1.267 178.148 176.870 0.017 0.000 1.149 272 L CA 0.462 55.311 54.840 0.016 0.000 0.872 272 L CB -0.578 41.491 42.059 0.016 0.000 0.992 272 L HN 0.471 nan 8.230 nan 0.000 0.447 273 G N 0.883 109.691 108.800 0.014 0.000 2.212 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.255 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.255 273 G C 0.049 174.958 174.900 0.015 0.000 1.062 273 G CA -0.268 44.840 45.100 0.014 0.000 0.815 273 G HN 0.374 nan 8.290 nan 0.000 0.497 274 R N -0.841 119.668 120.500 0.015 0.000 2.532 274 R HA 0.627 4.967 4.340 0.000 0.000 0.295 274 R C 0.830 177.141 176.300 0.019 0.000 0.968 274 R CA -0.964 55.147 56.100 0.018 0.000 0.916 274 R CB 1.295 31.608 30.300 0.021 0.000 1.124 274 R HN 0.282 nan 8.270 nan 0.000 0.463 275 I N 5.133 125.715 120.570 0.020 0.000 2.517 275 I HA 0.086 4.257 4.170 0.000 0.000 0.285 275 I C -1.579 174.555 176.117 0.028 0.000 1.106 275 I CA -1.578 59.734 61.300 0.020 0.000 1.402 275 I CB 0.381 38.392 38.000 0.019 0.000 1.399 275 I HN 0.301 nan 8.210 nan 0.000 0.535 276 P HA 0.059 nan 4.420 nan 0.000 0.272 276 P C -0.230 177.104 177.300 0.057 0.000 1.223 276 P CA -0.186 62.940 63.100 0.043 0.000 0.784 276 P CB 1.135 32.852 31.700 0.030 0.000 0.923 277 S N 0.826 116.581 115.700 0.092 0.000 2.566 277 S HA 0.572 5.042 4.470 0.000 0.000 0.277 277 S C 0.037 174.720 174.600 0.139 0.000 1.150 277 S CA -0.351 57.915 58.200 0.110 0.000 1.032 277 S CB 0.023 63.300 63.200 0.130 0.000 1.157 277 S HN 0.601 nan 8.310 nan 0.000 0.507 278 A N -0.139 122.785 122.820 0.172 0.000 2.540 278 A HA 0.425 4.745 4.320 0.000 0.000 0.239 278 A C 0.239 178.045 177.584 0.369 0.000 1.061 278 A CA 0.370 52.527 52.037 0.199 0.000 0.758 278 A CB -1.189 17.959 19.000 0.248 0.000 0.991 278 A HN 1.166 nan 8.150 nan 0.000 0.502 279 F N 0.304 120.310 119.950 0.093 0.000 2.748 279 F HA -0.277 4.250 4.527 0.000 0.000 0.370 279 F C 1.660 177.404 175.800 -0.093 0.000 0.620 279 F CA 1.803 59.831 58.000 0.047 0.000 1.233 279 F CB -1.288 37.812 39.000 0.167 0.000 1.708 279 F HN 1.883 nan 8.300 nan 0.000 0.298 280 G N -2.143 106.709 108.800 0.087 0.000 2.195 280 G HA2 -0.323 3.638 3.960 0.000 0.000 0.224 280 G HA3 -0.323 3.638 3.960 0.000 0.000 0.224 280 G C 0.152 175.037 174.900 -0.026 0.000 0.990 280 G CA -0.163 44.926 45.100 -0.017 0.000 0.639 280 G HN 0.427 nan 8.290 nan 0.000 0.514 281 Y N 2.760 123.129 120.300 0.114 0.000 2.457 281 Y HA 0.378 4.928 4.550 0.000 0.000 0.341 281 Y C 1.471 177.393 175.900 0.037 0.000 1.240 281 Y CA -0.010 58.130 58.100 0.066 0.000 1.437 281 Y CB 0.505 39.013 38.460 0.080 0.000 1.328 281 Y HN 0.431 nan 8.280 nan 0.000 0.588 282 Q N 4.318 124.240 119.800 0.203 0.000 2.304 282 Q HA -0.035 4.305 4.340 0.000 0.000 0.301 282 Q C -2.214 173.843 176.000 0.095 0.000 1.063 282 Q CA -1.109 54.755 55.803 0.100 0.000 0.947 282 Q CB 0.519 29.285 28.738 0.046 0.000 1.201 282 Q HN 0.419 nan 8.270 nan 0.000 0.389 283 P HA -0.098 nan 4.420 nan 0.000 0.225 283 P C 0.959 178.285 177.300 0.044 0.000 1.148 283 P CA 1.470 64.605 63.100 0.059 0.000 0.779 283 P CB -0.084 31.643 31.700 0.046 0.000 0.780 284 T N -4.104 110.471 114.554 0.034 0.000 3.188 284 T HA 0.135 4.485 4.350 0.000 0.000 0.250 284 T C 1.531 176.242 174.700 0.018 0.000 1.077 284 T CA -0.300 61.816 62.100 0.026 0.000 0.967 284 T CB -0.978 67.903 68.868 0.021 0.000 1.006 284 T HN -0.025 nan 8.240 nan 0.000 0.552 285 L N 0.891 122.118 121.223 0.007 0.000 2.013 285 L HA -0.060 4.280 4.340 0.000 0.000 0.212 285 L C 2.810 179.682 176.870 0.004 0.000 1.073 285 L CA 1.930 56.750 54.840 -0.034 0.000 0.753 285 L CB -0.710 41.294 42.059 -0.092 0.000 0.890 285 L HN 0.416 nan 8.230 nan 0.000 0.432 286 A N -0.652 122.187 122.820 0.033 0.000 1.898 286 A HA -0.205 4.115 4.320 0.000 0.000 0.216 286 A C 2.342 179.988 177.584 0.103 0.000 1.181 286 A CA 2.119 54.202 52.037 0.077 0.000 0.620 286 A CB -1.111 17.929 19.000 0.067 0.000 0.819 286 A HN 0.641 nan 8.150 nan 0.000 0.442 287 T N -2.288 112.312 114.554 0.077 0.000 2.857 287 T HA -0.113 4.238 4.350 0.000 0.000 0.266 287 T C 1.304 176.059 174.700 0.093 0.000 1.048 287 T CA 1.362 63.509 62.100 0.079 0.000 1.139 287 T CB -0.474 68.428 68.868 0.057 0.000 0.874 287 T HN 0.331 nan 8.240 nan 0.000 0.455 288 D N 0.772 121.228 120.400 0.094 0.000 2.182 288 D HA -0.027 4.613 4.640 0.000 0.000 0.201 288 D C 1.896 178.344 176.300 0.246 0.000 0.986 288 D CA 0.905 54.999 54.000 0.156 0.000 0.847 288 D CB -0.305 40.540 40.800 0.075 0.000 0.942 288 D HN 0.411 nan 8.370 nan 0.000 0.467 289 M N 0.004 119.709 119.600 0.175 0.000 2.236 289 M HA 0.018 4.498 4.480 0.000 0.000 0.266 289 M C 2.031 178.294 176.300 -0.062 0.000 1.070 289 M CA 1.319 56.690 55.300 0.118 0.000 1.137 289 M CB 0.051 32.722 32.600 0.119 0.000 1.378 289 M HN 0.006 nan 8.290 nan 0.000 0.426 290 G N 0.693 109.533 108.800 0.068 0.000 2.421 290 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 290 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 290 G C 1.388 176.298 174.900 0.017 0.000 1.171 290 G CA 0.665 45.821 45.100 0.093 0.000 0.775 290 G HN 0.412 nan 8.290 nan 0.000 0.543 291 L N -0.340 120.906 121.223 0.037 0.000 2.042 291 L HA -0.074 4.266 4.340 0.000 0.000 0.210 291 L C 2.693 179.541 176.870 -0.038 0.000 1.076 291 L CA 0.707 55.563 54.840 0.026 0.000 0.749 291 L CB -0.427 41.674 42.059 0.070 0.000 0.893 291 L HN 0.271 nan 8.230 nan 0.000 0.432 292 L N -0.798 120.365 121.223 -0.100 0.000 2.034 292 L HA -0.116 4.224 4.340 0.000 0.000 0.203 292 L C 2.576 179.302 176.870 -0.241 0.000 1.074 292 L CA 1.672 56.370 54.840 -0.236 0.000 0.748 292 L CB -0.921 40.843 42.059 -0.491 0.000 0.905 292 L HN 0.141 nan 8.230 nan 0.000 0.439 293 Q N 0.269 119.886 119.800 -0.305 0.000 2.061 293 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 293 Q C 2.006 177.910 176.000 -0.160 0.000 0.984 293 Q CA 1.536 57.140 55.803 -0.332 0.000 0.846 293 Q CB -0.443 27.843 28.738 -0.753 0.000 0.902 293 Q HN 0.613 nan 8.270 nan 0.000 0.421 294 E N 0.377 120.522 120.200 -0.092 0.000 2.515 294 E HA -0.114 4.236 4.350 0.000 0.000 0.201 294 E C 1.549 178.138 176.600 -0.017 0.000 1.071 294 E CA 0.330 56.733 56.400 0.004 0.000 0.880 294 E CB 0.060 29.794 29.700 0.055 0.000 0.828 294 E HN 0.290 nan 8.360 nan 0.000 0.540 295 R N -0.213 120.254 120.500 -0.055 0.000 2.237 295 R HA 0.205 4.545 4.340 0.000 0.000 0.195 295 R C 0.757 177.021 176.300 -0.059 0.000 0.956 295 R CA 0.014 56.084 56.100 -0.051 0.000 1.029 295 R CB 0.471 30.731 30.300 -0.066 0.000 0.972 295 R HN 0.023 nan 8.270 nan 0.000 0.493 296 I N 1.874 122.395 120.570 -0.082 0.000 2.329 296 I HA 0.072 4.242 4.170 0.000 0.000 0.295 296 I C -0.013 176.071 176.117 -0.055 0.000 1.109 296 I CA 0.302 61.553 61.300 -0.082 0.000 1.297 296 I CB 0.996 38.926 38.000 -0.117 0.000 1.433 296 I HN -0.081 nan 8.210 nan 0.000 0.509 297 T N 2.528 117.057 114.554 -0.042 0.000 3.087 297 T HA 0.205 4.555 4.350 0.000 0.000 0.351 297 T C -0.468 174.215 174.700 -0.028 0.000 1.520 297 T CA -0.572 61.511 62.100 -0.030 0.000 1.111 297 T CB 1.339 70.197 68.868 -0.017 0.000 1.353 297 T HN 0.312 nan 8.240 nan 0.000 0.481 298 T N 4.466 119.003 114.554 -0.028 0.000 2.752 298 T HA 0.496 4.846 4.350 0.000 0.000 0.295 298 T C 0.835 175.516 174.700 -0.032 0.000 0.923 298 T CA 0.173 62.257 62.100 -0.026 0.000 1.112 298 T CB 0.214 69.067 68.868 -0.024 0.000 0.884 298 T HN 0.888 nan 8.240 nan 0.000 0.525 299 T N 1.151 115.686 114.554 -0.031 0.000 2.889 299 T HA 0.465 4.815 4.350 0.000 0.000 0.278 299 T C 1.312 175.990 174.700 -0.038 0.000 0.995 299 T CA -0.918 61.159 62.100 -0.038 0.000 0.966 299 T CB 1.216 70.064 68.868 -0.033 0.000 1.237 299 T HN 0.347 nan 8.240 nan 0.000 0.591 300 K N -0.107 120.267 120.400 -0.042 0.000 2.148 300 K HA 0.059 4.379 4.320 0.000 0.000 0.204 300 K C 2.329 178.910 176.600 -0.032 0.000 1.050 300 K CA 1.014 57.278 56.287 -0.039 0.000 0.942 300 K CB -0.055 32.420 32.500 -0.042 0.000 0.724 300 K HN 0.486 nan 8.250 nan 0.000 0.446 301 K N -0.556 119.825 120.400 -0.031 0.000 2.103 301 K HA 0.009 4.329 4.320 0.000 0.000 0.204 301 K C 0.874 177.459 176.600 -0.025 0.000 1.052 301 K CA 0.896 57.165 56.287 -0.031 0.000 0.945 301 K CB 0.389 32.867 32.500 -0.037 0.000 0.722 301 K HN 0.184 nan 8.250 nan 0.000 0.443 302 G N -0.468 108.320 108.800 -0.019 0.000 2.649 302 G HA2 0.343 4.303 3.960 0.000 0.000 0.290 302 G HA3 0.343 4.303 3.960 0.000 0.000 0.290 302 G C -1.667 173.229 174.900 -0.007 0.000 1.426 302 G CA -0.583 44.513 45.100 -0.008 0.000 0.794 302 G HN 0.005 nan 8.290 nan 0.000 0.483 303 S N -1.250 114.451 115.700 0.002 0.000 2.513 303 S HA 0.721 5.191 4.470 0.000 0.000 0.299 303 S C -1.121 173.479 174.600 0.001 0.000 1.087 303 S CA -0.625 57.574 58.200 -0.003 0.000 1.012 303 S CB 2.014 65.214 63.200 -0.000 0.000 1.044 303 S HN 1.082 nan 8.310 nan 0.000 0.485 304 V N 3.992 123.894 119.914 -0.020 0.000 2.385 304 V HA 0.364 4.484 4.120 0.000 0.000 0.277 304 V C -0.170 175.877 176.094 -0.078 0.000 1.012 304 V CA -0.638 61.636 62.300 -0.044 0.000 0.832 304 V CB 1.120 32.916 31.823 -0.046 0.000 1.028 304 V HN 1.017 nan 8.190 nan 0.000 0.436 305 T N 3.446 117.940 114.554 -0.101 0.000 2.794 305 T HA 0.478 4.828 4.350 0.000 0.000 0.296 305 T C 0.304 174.855 174.700 -0.249 0.000 0.949 305 T CA -0.190 61.822 62.100 -0.147 0.000 1.101 305 T CB 0.955 69.736 68.868 -0.144 0.000 0.905 305 T HN 0.820 nan 8.240 nan 0.000 0.516 306 S N 1.616 117.166 115.700 -0.250 0.000 2.541 306 S HA 0.697 5.168 4.470 0.000 0.000 0.280 306 S C -0.879 173.537 174.600 -0.307 0.000 1.112 306 S CA -0.857 57.145 58.200 -0.330 0.000 0.925 306 S CB 1.408 64.456 63.200 -0.254 0.000 1.067 306 S HN 0.421 nan 8.310 nan 0.000 0.479 307 V N 2.860 122.571 119.914 -0.339 0.000 2.459 307 V HA 0.554 4.675 4.120 0.000 0.000 0.295 307 V C -0.458 175.570 176.094 -0.111 0.000 1.029 307 V CA -0.479 61.720 62.300 -0.169 0.000 0.874 307 V CB 1.338 33.204 31.823 0.071 0.000 0.985 307 V HN 0.970 nan 8.190 nan 0.000 0.438 308 Q N 2.468 122.184 119.800 -0.139 0.000 2.337 308 Q HA 0.745 5.085 4.340 0.000 0.000 0.270 308 Q C -0.519 175.387 176.000 -0.158 0.000 1.043 308 Q CA -0.591 55.121 55.803 -0.151 0.000 0.794 308 Q CB 2.593 31.216 28.738 -0.192 0.000 1.281 308 Q HN 0.917 nan 8.270 nan 0.000 0.446 309 A N 2.023 124.778 122.820 -0.109 0.000 2.363 309 A HA 0.555 4.875 4.320 0.000 0.000 0.270 309 A C -0.455 177.023 177.584 -0.177 0.000 1.121 309 A CA -0.378 51.596 52.037 -0.105 0.000 0.800 309 A CB 0.628 19.630 19.000 0.004 0.000 1.052 309 A HN 0.487 nan 8.150 nan 0.000 0.493 310 V N 3.821 123.547 119.914 -0.314 0.000 2.349 310 V HA 0.145 4.265 4.120 0.000 0.000 0.284 310 V C -0.557 175.420 176.094 -0.195 0.000 1.014 310 V CA -0.477 61.586 62.300 -0.395 0.000 0.826 310 V CB 0.552 31.689 31.823 -1.144 0.000 1.009 310 V HN 0.811 nan 8.190 nan 0.000 0.431 311 Y N 5.073 125.274 120.300 -0.165 0.000 2.610 311 Y HA 0.285 4.835 4.550 0.000 0.000 0.332 311 Y C 0.112 175.755 175.900 -0.428 0.000 1.201 311 Y CA 0.332 58.281 58.100 -0.253 0.000 1.465 311 Y CB 0.933 39.249 38.460 -0.239 0.000 1.283 311 Y HN 0.391 nan 8.280 nan 0.000 0.563 312 V N 9.096 128.460 119.914 -0.917 0.000 2.334 312 V HA 0.318 4.438 4.120 0.000 0.000 0.281 312 V C -2.267 173.179 176.094 -1.080 0.000 1.016 312 V CA -2.074 59.790 62.300 -0.727 0.000 0.832 312 V CB 1.195 32.820 31.823 -0.330 0.000 0.999 312 V HN 0.690 nan 8.190 nan 0.000 0.439 313 P HA 0.301 nan 4.420 nan 0.000 0.276 313 P C 0.289 177.442 177.300 -0.244 0.000 1.230 313 P CA 0.188 63.018 63.100 -0.450 0.000 0.776 313 P CB 1.060 32.674 31.700 -0.145 0.000 0.888 314 A N 3.446 126.185 122.820 -0.135 0.000 2.687 314 A HA -0.221 4.099 4.320 0.000 0.000 0.299 314 A C 0.710 178.241 177.584 -0.089 0.000 1.497 314 A CA 0.888 52.891 52.037 -0.057 0.000 0.751 314 A CB -2.651 16.350 19.000 0.001 0.000 1.048 314 A HN 0.634 nan 8.150 nan 0.000 0.464 315 D N -0.998 119.310 120.400 -0.153 0.000 2.782 315 D HA -0.199 4.441 4.640 0.000 0.000 0.230 315 D C -0.092 176.148 176.300 -0.100 0.000 1.165 315 D CA 2.134 56.054 54.000 -0.135 0.000 0.664 315 D CB -0.753 40.002 40.800 -0.077 0.000 1.056 315 D HN 0.930 nan 8.370 nan 0.000 0.423 316 D N -0.077 120.253 120.400 -0.117 0.000 2.454 316 D HA 0.241 4.881 4.640 0.000 0.000 0.225 316 D C 1.229 177.487 176.300 -0.070 0.000 1.081 316 D CA -0.524 53.431 54.000 -0.076 0.000 0.864 316 D CB 0.353 41.113 40.800 -0.067 0.000 1.040 316 D HN 0.046 nan 8.370 nan 0.000 0.517 317 L N 2.500 123.710 121.223 -0.022 0.000 2.376 317 L HA -0.037 4.304 4.340 0.000 0.000 0.219 317 L C 2.267 179.178 176.870 0.068 0.000 1.133 317 L CA 1.287 56.159 54.840 0.053 0.000 0.816 317 L CB -0.193 41.902 42.059 0.060 0.000 0.933 317 L HN 0.507 nan 8.230 nan 0.000 0.449 318 T N -4.656 109.902 114.554 0.008 0.000 3.107 318 T HA -0.031 4.319 4.350 0.000 0.000 0.249 318 T C 0.588 175.267 174.700 -0.034 0.000 1.096 318 T CA -0.392 61.715 62.100 0.012 0.000 1.012 318 T CB -0.431 68.452 68.868 0.024 0.000 0.977 318 T HN 0.195 nan 8.240 nan 0.000 0.527 319 D N 2.576 122.903 120.400 -0.120 0.000 2.525 319 D HA 0.094 4.735 4.640 0.000 0.000 0.235 319 D C -1.299 174.917 176.300 -0.140 0.000 1.137 319 D CA -1.450 52.383 54.000 -0.278 0.000 0.868 319 D CB 1.068 41.727 40.800 -0.235 0.000 1.180 319 D HN -0.011 nan 8.370 nan 0.000 0.465 320 P HA -0.268 nan 4.420 nan 0.000 0.218 320 P C 0.687 177.872 177.300 -0.192 0.000 1.152 320 P CA 1.924 64.947 63.100 -0.127 0.000 0.857 320 P CB 0.010 31.628 31.700 -0.138 0.000 0.787 321 A N 0.326 122.980 122.820 -0.275 0.000 1.824 321 A HA -0.131 4.189 4.320 0.000 0.000 0.215 321 A C -0.005 177.612 177.584 0.055 0.000 1.209 321 A CA 2.501 54.478 52.037 -0.099 0.000 0.614 321 A CB -2.235 16.892 19.000 0.212 0.000 0.852 321 A HN 0.207 nan 8.150 nan 0.000 0.447 322 P HA -0.112 nan 4.420 nan 0.000 0.217 322 P C 1.634 179.060 177.300 0.210 0.000 1.150 322 P CA 1.995 65.171 63.100 0.126 0.000 0.832 322 P CB -0.261 31.519 31.700 0.132 0.000 0.787 323 A N 0.454 123.405 122.820 0.219 0.000 1.881 323 A HA -0.248 4.072 4.320 0.000 0.000 0.219 323 A C 2.399 180.142 177.584 0.266 0.000 1.215 323 A CA 3.175 55.381 52.037 0.282 0.000 0.648 323 A CB -2.147 16.927 19.000 0.123 0.000 0.832 323 A HN 0.232 nan 8.150 nan 0.000 0.455 324 T N -0.349 114.291 114.554 0.144 0.000 2.881 324 T HA -0.080 4.270 4.350 0.000 0.000 0.270 324 T C 1.808 176.626 174.700 0.196 0.000 1.068 324 T CA 1.755 63.934 62.100 0.132 0.000 1.131 324 T CB -0.456 68.457 68.868 0.074 0.000 0.871 324 T HN 0.636 nan 8.240 nan 0.000 0.479 325 T N 1.439 116.106 114.554 0.189 0.000 2.951 325 T HA 0.062 4.412 4.350 0.000 0.000 0.268 325 T C 1.471 176.308 174.700 0.227 0.000 1.073 325 T CA 0.464 62.678 62.100 0.191 0.000 1.134 325 T CB -0.404 68.483 68.868 0.031 0.000 0.884 325 T HN 0.280 nan 8.240 nan 0.000 0.479 326 F N 2.225 122.330 119.950 0.258 0.000 2.091 326 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 326 F C 2.663 178.506 175.800 0.072 0.000 1.103 326 F CA 1.133 59.222 58.000 0.147 0.000 1.228 326 F CB -0.794 38.178 39.000 -0.046 0.000 0.984 326 F HN 0.159 nan 8.300 nan 0.000 0.477 327 A N -1.652 121.274 122.820 0.176 0.000 2.121 327 A HA -0.156 4.164 4.320 0.000 0.000 0.218 327 A C 1.670 179.213 177.584 -0.067 0.000 1.154 327 A CA 1.115 53.157 52.037 0.009 0.000 0.679 327 A CB -0.956 17.990 19.000 -0.089 0.000 0.795 327 A HN 0.455 nan 8.150 nan 0.000 0.458 328 H N -0.857 118.267 119.070 0.089 0.000 2.556 328 H HA 0.263 4.819 4.556 0.000 0.000 0.268 328 H C -0.321 175.027 175.328 0.034 0.000 0.996 328 H CA 0.530 56.606 56.048 0.047 0.000 1.157 328 H CB -0.101 29.676 29.762 0.024 0.000 1.355 328 H HN 0.346 nan 8.280 nan 0.000 0.597 329 L N 0.109 121.420 121.223 0.146 0.000 2.365 329 L HA 0.218 4.558 4.340 0.000 0.000 0.273 329 L C 0.854 177.775 176.870 0.084 0.000 1.000 329 L CA -0.624 54.279 54.840 0.104 0.000 0.819 329 L CB 2.425 44.564 42.059 0.134 0.000 1.284 329 L HN -0.141 nan 8.230 nan 0.000 0.418 330 D N 1.689 122.119 120.400 0.049 0.000 2.194 330 D HA 0.077 4.718 4.640 0.000 0.000 0.204 330 D C 0.413 176.754 176.300 0.068 0.000 0.964 330 D CA 0.855 54.883 54.000 0.048 0.000 0.846 330 D CB 0.728 41.546 40.800 0.029 0.000 0.962 330 D HN 0.554 nan 8.370 nan 0.000 0.490 331 A N 0.601 123.461 122.820 0.066 0.000 2.398 331 A HA 0.523 4.843 4.320 0.000 0.000 0.301 331 A C -0.360 177.295 177.584 0.119 0.000 1.041 331 A CA -0.628 51.479 52.037 0.117 0.000 0.711 331 A CB 1.532 20.656 19.000 0.207 0.000 1.240 331 A HN -0.005 nan 8.150 nan 0.000 0.420 332 T N -0.323 114.334 114.554 0.172 0.000 2.829 332 T HA 0.746 5.096 4.350 0.000 0.000 0.280 332 T C -0.202 174.616 174.700 0.196 0.000 0.999 332 T CA -0.281 61.955 62.100 0.227 0.000 0.983 332 T CB 1.262 70.291 68.868 0.269 0.000 0.968 332 T HN 1.134 nan 8.240 nan 0.000 0.446 333 T N 0.053 114.723 114.554 0.194 0.000 2.792 333 T HA 0.619 4.969 4.350 0.000 0.000 0.280 333 T C -0.348 174.420 174.700 0.113 0.000 0.990 333 T CA -0.784 61.385 62.100 0.115 0.000 0.960 333 T CB 1.141 70.040 68.868 0.052 0.000 0.939 333 T HN 0.575 nan 8.240 nan 0.000 0.439 334 V N 4.890 124.851 119.914 0.079 0.000 2.370 334 V HA 0.383 4.504 4.120 0.000 0.000 0.279 334 V C 0.074 176.194 176.094 0.043 0.000 1.029 334 V CA -0.858 61.493 62.300 0.086 0.000 0.870 334 V CB 1.050 32.892 31.823 0.032 0.000 0.984 334 V HN 0.817 nan 8.190 nan 0.000 0.451 335 L N 4.434 125.686 121.223 0.048 0.000 2.289 335 L HA 0.559 4.899 4.340 0.000 0.000 0.285 335 L C 0.399 177.280 176.870 0.018 0.000 1.049 335 L CA 0.061 54.922 54.840 0.034 0.000 0.804 335 L CB 1.656 43.747 42.059 0.054 0.000 1.195 335 L HN 0.700 nan 8.230 nan 0.000 0.428 336 S N 3.111 118.809 115.700 -0.004 0.000 2.454 336 S HA 0.331 4.801 4.470 0.000 0.000 0.306 336 S C 0.819 175.398 174.600 -0.034 0.000 1.100 336 S CA -0.782 57.405 58.200 -0.021 0.000 1.087 336 S CB 1.776 64.958 63.200 -0.029 0.000 1.019 336 S HN 0.753 nan 8.310 nan 0.000 0.480 337 R N 3.468 123.952 120.500 -0.027 0.000 2.081 337 R HA -0.032 4.308 4.340 0.000 0.000 0.235 337 R C 2.091 178.369 176.300 -0.038 0.000 1.131 337 R CA 2.053 58.138 56.100 -0.025 0.000 0.960 337 R CB -1.168 29.124 30.300 -0.013 0.000 0.856 337 R HN 0.841 nan 8.270 nan 0.000 0.436 338 G N 0.988 109.767 108.800 -0.036 0.000 2.442 338 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 338 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 338 G C 1.467 176.339 174.900 -0.047 0.000 1.141 338 G CA 0.983 46.061 45.100 -0.036 0.000 0.763 338 G HN 0.304 nan 8.290 nan 0.000 0.554 339 I N 1.456 121.989 120.570 -0.061 0.000 2.202 339 I HA -0.182 3.988 4.170 0.000 0.000 0.242 339 I C 3.220 179.240 176.117 -0.161 0.000 1.091 339 I CA 1.483 62.734 61.300 -0.082 0.000 1.368 339 I CB -0.266 37.691 38.000 -0.071 0.000 1.058 339 I HN 0.361 nan 8.210 nan 0.000 0.410 340 S N 0.350 115.922 115.700 -0.214 0.000 2.400 340 S HA -0.238 4.233 4.470 0.000 0.000 0.232 340 S C 1.735 176.203 174.600 -0.221 0.000 1.025 340 S CA 1.334 59.296 58.200 -0.396 0.000 0.993 340 S CB -0.554 62.496 63.200 -0.249 0.000 0.808 340 S HN 0.469 nan 8.310 nan 0.000 0.478 341 E N 0.601 120.750 120.200 -0.086 0.000 2.409 341 E HA 0.112 4.462 4.350 0.000 0.000 0.198 341 E C 1.358 177.958 176.600 -0.000 0.000 1.024 341 E CA 0.548 56.938 56.400 -0.017 0.000 0.861 341 E CB -0.221 29.477 29.700 -0.003 0.000 0.788 341 E HN 0.594 nan 8.360 nan 0.000 0.521 342 L N -1.022 120.188 121.223 -0.021 0.000 2.592 342 L HA 0.197 4.538 4.340 0.000 0.000 0.227 342 L C 1.397 178.313 176.870 0.076 0.000 1.127 342 L CA 0.296 55.153 54.840 0.028 0.000 0.884 342 L CB 0.296 42.376 42.059 0.034 0.000 1.065 342 L HN 0.246 nan 8.230 nan 0.000 0.457 343 G N 0.380 109.198 108.800 0.029 0.000 2.179 343 G HA2 -0.239 3.722 3.960 0.000 0.000 0.260 343 G HA3 -0.239 3.722 3.960 0.000 0.000 0.260 343 G C 0.329 175.292 174.900 0.104 0.000 0.977 343 G CA -0.391 44.807 45.100 0.164 0.000 0.641 343 G HN 0.151 nan 8.290 nan 0.000 0.533 344 I N 0.665 121.174 120.570 -0.101 0.000 2.471 344 I HA 0.451 4.621 4.170 0.000 0.000 0.286 344 I C 0.127 176.002 176.117 -0.403 0.000 1.079 344 I CA -0.039 61.176 61.300 -0.143 0.000 1.398 344 I CB -0.063 37.897 38.000 -0.067 0.000 1.403 344 I HN 0.105 nan 8.210 nan 0.000 0.530 345 Y N 6.165 126.387 120.300 -0.129 0.000 2.479 345 Y HA 0.336 4.885 4.550 -0.000 0.000 0.338 345 Y C -2.199 173.501 175.900 -0.334 0.000 1.055 345 Y CA -2.213 55.781 58.100 -0.177 0.000 1.023 345 Y CB 2.131 40.477 38.460 -0.190 0.000 1.287 345 Y HN 0.423 nan 8.280 nan 0.000 0.447 346 P HA 0.020 nan 4.420 nan 0.000 0.266 346 P C -0.030 177.329 177.300 0.099 0.000 1.195 346 P CA 0.124 63.290 63.100 0.111 0.000 0.768 346 P CB 0.939 32.876 31.700 0.394 0.000 0.838 347 A N 3.400 126.272 122.820 0.086 0.000 2.223 347 A HA 0.101 4.421 4.320 0.000 0.000 0.222 347 A C 0.729 178.316 177.584 0.005 0.000 1.317 347 A CA -0.101 51.886 52.037 -0.083 0.000 0.985 347 A CB -1.147 17.770 19.000 -0.138 0.000 0.858 347 A HN 0.406 nan 8.150 nan 0.000 0.496 348 V N 1.316 121.273 119.914 0.072 0.000 2.599 348 V HA -0.027 4.093 4.120 0.000 0.000 0.300 348 V C 0.492 176.603 176.094 0.028 0.000 1.034 348 V CA -0.067 62.275 62.300 0.070 0.000 1.115 348 V CB 0.743 32.647 31.823 0.134 0.000 0.934 348 V HN 0.512 nan 8.190 nan 0.000 0.485 349 D N 8.116 128.525 120.400 0.014 0.000 2.352 349 D HA 0.164 4.804 4.640 0.000 0.000 0.245 349 D C -1.067 175.232 176.300 -0.002 0.000 1.224 349 D CA -2.007 51.992 54.000 -0.002 0.000 0.879 349 D CB 1.633 42.424 40.800 -0.015 0.000 1.057 349 D HN 0.299 nan 8.370 nan 0.000 0.491 350 P HA -0.105 nan 4.420 nan 0.000 0.222 350 P C 1.393 178.679 177.300 -0.024 0.000 1.147 350 P CA 0.690 63.782 63.100 -0.012 0.000 0.790 350 P CB 0.632 32.328 31.700 -0.005 0.000 0.780 351 L N -1.080 120.127 121.223 -0.026 0.000 2.425 351 L HA 0.155 4.495 4.340 0.000 0.000 0.215 351 L C 1.877 178.716 176.870 -0.052 0.000 1.065 351 L CA 0.716 55.533 54.840 -0.038 0.000 0.842 351 L CB -0.294 41.744 42.059 -0.036 0.000 1.033 351 L HN -0.130 nan 8.230 nan 0.000 0.474 352 D N -0.522 119.846 120.400 -0.053 0.000 2.340 352 D HA 0.031 4.671 4.640 0.000 0.000 0.217 352 D C 0.237 176.498 176.300 -0.065 0.000 1.081 352 D CA 0.172 54.124 54.000 -0.079 0.000 0.842 352 D CB 0.453 41.203 40.800 -0.085 0.000 0.934 352 D HN -0.041 nan 8.370 nan 0.000 0.511 353 S N 0.007 115.690 115.700 -0.028 0.000 2.541 353 S HA 0.589 5.059 4.470 0.000 0.000 0.283 353 S C -0.301 174.304 174.600 0.008 0.000 1.196 353 S CA -0.599 57.606 58.200 0.009 0.000 1.062 353 S CB 1.686 64.908 63.200 0.037 0.000 1.009 353 S HN -0.002 nan 8.310 nan 0.000 0.502 354 K N 1.039 121.462 120.400 0.038 0.000 2.464 354 K HA 0.640 4.960 4.320 0.000 0.000 0.253 354 K C -0.959 175.684 176.600 0.070 0.000 0.933 354 K CA -0.297 56.008 56.287 0.030 0.000 0.801 354 K CB 2.132 34.632 32.500 0.001 0.000 1.271 354 K HN 0.482 nan 8.250 nan 0.000 0.430 355 S N 0.721 116.453 115.700 0.052 0.000 2.536 355 S HA 0.381 4.851 4.470 0.000 0.000 0.298 355 S C 0.492 175.119 174.600 0.045 0.000 1.083 355 S CA -0.696 57.544 58.200 0.068 0.000 0.995 355 S CB 1.497 64.735 63.200 0.063 0.000 1.058 355 S HN 0.644 nan 8.310 nan 0.000 0.488 356 R N 1.562 122.092 120.500 0.050 0.000 2.115 356 R HA 0.120 4.460 4.340 0.000 0.000 0.230 356 R C 1.158 177.477 176.300 0.032 0.000 1.111 356 R CA 1.210 57.333 56.100 0.038 0.000 0.976 356 R CB -0.198 30.124 30.300 0.037 0.000 0.870 356 R HN 0.628 nan 8.270 nan 0.000 0.445 357 L N 0.692 121.933 121.223 0.030 0.000 2.592 357 L HA 0.102 4.442 4.340 0.000 0.000 0.227 357 L C 0.488 177.353 176.870 -0.008 0.000 1.127 357 L CA -0.341 54.506 54.840 0.012 0.000 0.884 357 L CB -0.027 42.038 42.059 0.011 0.000 1.065 357 L HN 0.086 nan 8.230 nan 0.000 0.457 358 L N 2.249 123.472 121.223 0.000 0.000 2.400 358 L HA 0.171 4.511 4.340 0.000 0.000 0.262 358 L C -0.546 176.403 176.870 0.131 0.000 1.309 358 L CA 0.571 55.408 54.840 -0.005 0.000 1.186 358 L CB -0.901 41.134 42.059 -0.039 0.000 1.375 358 L HN 0.114 nan 8.230 nan 0.000 0.433 359 D N 1.515 122.000 120.400 0.142 0.000 2.927 359 D HA 0.398 5.038 4.640 0.000 0.000 0.219 359 D C 0.691 177.025 176.300 0.057 0.000 1.248 359 D CA 0.041 54.131 54.000 0.149 0.000 0.861 359 D CB 1.772 42.603 40.800 0.051 0.000 1.677 359 D HN 0.176 nan 8.370 nan 0.000 0.511 360 A N 3.072 125.841 122.820 -0.084 0.000 2.024 360 A HA 0.069 4.389 4.320 0.000 0.000 0.220 360 A C 2.074 179.625 177.584 -0.056 0.000 1.164 360 A CA 2.129 54.106 52.037 -0.101 0.000 0.643 360 A CB -0.792 18.045 19.000 -0.272 0.000 0.806 360 A HN 0.734 nan 8.150 nan 0.000 0.451 361 A N -0.763 122.022 122.820 -0.057 0.000 1.933 361 A HA 0.044 4.364 4.320 0.000 0.000 0.218 361 A C 2.163 179.736 177.584 -0.018 0.000 1.175 361 A CA 1.929 53.945 52.037 -0.035 0.000 0.628 361 A CB -0.552 18.429 19.000 -0.032 0.000 0.814 361 A HN 0.411 nan 8.150 nan 0.000 0.444 362 V N -0.559 119.345 119.914 -0.017 0.000 2.436 362 V HA -0.089 4.031 4.120 0.000 0.000 0.240 362 V C 2.424 178.505 176.094 -0.021 0.000 1.040 362 V CA 1.564 63.855 62.300 -0.015 0.000 1.052 362 V CB -0.218 31.595 31.823 -0.017 0.000 0.707 362 V HN 0.534 nan 8.190 nan 0.000 0.469 363 V N -1.448 118.436 119.914 -0.050 0.000 3.506 363 V HA 0.661 4.781 4.120 0.000 0.000 0.263 363 V C 0.883 176.998 176.094 0.034 0.000 1.203 363 V CA 0.356 62.602 62.300 -0.091 0.000 1.133 363 V CB -0.676 30.886 31.823 -0.437 0.000 0.802 363 V HN 0.918 nan 8.190 nan 0.000 0.459 364 G N 0.542 109.368 108.800 0.044 0.000 2.907 364 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 364 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 364 G C -0.189 174.776 174.900 0.107 0.000 1.115 364 G CA 0.206 45.351 45.100 0.075 0.000 0.760 364 G HN 0.468 nan 8.290 nan 0.000 0.620 365 Q N 0.442 120.282 119.800 0.066 0.000 2.096 365 Q HA -0.152 4.188 4.340 0.000 0.000 0.208 365 Q C 2.361 178.454 176.000 0.154 0.000 0.993 365 Q CA 3.004 58.848 55.803 0.069 0.000 0.862 365 Q CB -0.248 28.503 28.738 0.021 0.000 0.915 365 Q HN 0.872 nan 8.270 nan 0.000 0.416 366 E N -1.177 119.104 120.200 0.135 0.000 2.033 366 E HA -0.318 4.032 4.350 0.000 0.000 0.199 366 E C 1.964 178.679 176.600 0.190 0.000 1.011 366 E CA 1.361 57.845 56.400 0.139 0.000 0.815 366 E CB -0.404 29.357 29.700 0.103 0.000 0.755 366 E HN 0.566 nan 8.360 nan 0.000 0.451 367 H N -0.074 119.049 119.070 0.089 0.000 2.267 367 H HA -0.259 4.298 4.556 0.001 0.000 0.291 367 H C 1.990 177.368 175.328 0.084 0.000 1.094 367 H CA 2.314 58.405 56.048 0.072 0.000 1.227 367 H CB -0.988 28.811 29.762 0.061 0.000 1.351 367 H HN 0.398 nan 8.280 nan 0.000 0.483 368 Y N 1.406 121.827 120.300 0.201 0.000 2.053 368 Y HA -0.280 4.270 4.550 0.001 0.000 0.277 368 Y C 2.486 178.438 175.900 0.086 0.000 1.159 368 Y CA 2.279 60.436 58.100 0.095 0.000 1.125 368 Y CB -0.470 38.007 38.460 0.029 0.000 0.969 368 Y HN 0.221 nan 8.280 nan 0.000 0.492 369 D N -0.397 120.219 120.400 0.359 0.000 2.133 369 D HA -0.224 4.417 4.640 0.000 0.000 0.192 369 D C 2.320 178.673 176.300 0.087 0.000 1.001 369 D CA 1.998 56.129 54.000 0.220 0.000 0.844 369 D CB -0.559 40.352 40.800 0.183 0.000 0.944 369 D HN 0.318 nan 8.370 nan 0.000 0.447 370 V N 0.906 120.873 119.914 0.089 0.000 2.358 370 V HA -0.220 3.901 4.120 0.000 0.000 0.246 370 V C 2.454 178.551 176.094 0.006 0.000 1.047 370 V CA 1.737 64.072 62.300 0.057 0.000 1.035 370 V CB -0.839 31.016 31.823 0.055 0.000 0.658 370 V HN 0.213 nan 8.190 nan 0.000 0.452 371 A N -0.018 122.792 122.820 -0.017 0.000 1.883 371 A HA -0.226 4.095 4.320 0.000 0.000 0.217 371 A C 2.492 179.999 177.584 -0.130 0.000 1.186 371 A CA 2.437 54.425 52.037 -0.081 0.000 0.624 371 A CB -0.783 18.186 19.000 -0.051 0.000 0.822 371 A HN 0.526 nan 8.150 nan 0.000 0.444 372 S N -0.362 115.221 115.700 -0.196 0.000 2.356 372 S HA -0.150 4.321 4.470 0.000 0.000 0.223 372 S C 1.972 176.529 174.600 -0.070 0.000 1.032 372 S CA 1.551 59.638 58.200 -0.189 0.000 1.005 372 S CB -0.262 62.788 63.200 -0.251 0.000 0.867 372 S HN 0.593 nan 8.310 nan 0.000 0.449 373 K N 0.624 121.010 120.400 -0.024 0.000 2.147 373 K HA -0.028 4.292 4.320 0.000 0.000 0.205 373 K C 2.011 178.623 176.600 0.020 0.000 1.049 373 K CA 0.902 57.197 56.287 0.013 0.000 0.936 373 K CB -0.266 32.258 32.500 0.040 0.000 0.722 373 K HN 0.151 nan 8.250 nan 0.000 0.446 374 V N 1.250 121.173 119.914 0.015 0.000 2.307 374 V HA -0.258 3.863 4.120 0.000 0.000 0.245 374 V C 2.191 178.288 176.094 0.006 0.000 1.045 374 V CA 1.653 63.971 62.300 0.030 0.000 1.024 374 V CB -0.325 31.501 31.823 0.005 0.000 0.651 374 V HN 0.368 nan 8.190 nan 0.000 0.449 375 Q N -0.639 119.142 119.800 -0.030 0.000 2.084 375 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 375 Q C 2.349 178.343 176.000 -0.011 0.000 0.978 375 Q CA 1.717 57.501 55.803 -0.032 0.000 0.844 375 Q CB -0.154 28.545 28.738 -0.064 0.000 0.898 375 Q HN 0.654 nan 8.270 nan 0.000 0.426 376 E N -0.384 119.810 120.200 -0.009 0.000 2.085 376 E HA -0.182 4.168 4.350 0.000 0.000 0.194 376 E C 1.937 178.551 176.600 0.022 0.000 0.994 376 E CA 1.625 58.028 56.400 0.005 0.000 0.801 376 E CB 0.099 29.804 29.700 0.008 0.000 0.743 376 E HN 0.368 nan 8.360 nan 0.000 0.453 377 T N 1.488 116.060 114.554 0.030 0.000 2.668 377 T HA -0.137 4.213 4.350 0.000 0.000 0.262 377 T C 2.055 176.795 174.700 0.066 0.000 1.045 377 T CA 0.945 63.069 62.100 0.040 0.000 1.152 377 T CB -0.358 68.533 68.868 0.038 0.000 0.864 377 T HN 0.075 nan 8.240 nan 0.000 0.419 378 L N 1.027 122.292 121.223 0.070 0.000 2.013 378 L HA -0.213 4.127 4.340 0.000 0.000 0.212 378 L C 2.904 179.832 176.870 0.097 0.000 1.073 378 L CA 1.435 56.338 54.840 0.105 0.000 0.753 378 L CB -0.656 41.445 42.059 0.071 0.000 0.890 378 L HN 0.218 nan 8.230 nan 0.000 0.432 379 Q N 0.029 119.858 119.800 0.048 0.000 2.096 379 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 379 Q C 2.072 178.096 176.000 0.040 0.000 0.982 379 Q CA 2.649 58.467 55.803 0.025 0.000 0.850 379 Q CB -0.560 28.181 28.738 0.006 0.000 0.901 379 Q HN 0.480 nan 8.270 nan 0.000 0.422 380 T N -0.013 114.577 114.554 0.061 0.000 2.788 380 T HA -0.155 4.195 4.350 0.000 0.000 0.268 380 T C 1.302 176.077 174.700 0.124 0.000 1.044 380 T CA 1.288 63.429 62.100 0.069 0.000 1.139 380 T CB -0.598 68.305 68.868 0.057 0.000 0.867 380 T HN 0.373 nan 8.240 nan 0.000 0.454 381 Y N 2.240 122.536 120.300 -0.006 0.000 2.145 381 Y HA -0.024 4.531 4.550 0.008 0.000 0.286 381 Y C 2.372 178.268 175.900 -0.007 0.000 1.145 381 Y CA 1.038 59.134 58.100 -0.006 0.000 1.148 381 Y CB -0.438 38.018 38.460 -0.005 0.000 0.981 381 Y HN 0.055 nan 8.280 nan 0.000 0.507 382 K N -0.689 119.672 120.400 -0.064 0.000 2.148 382 K HA -0.104 4.217 4.320 0.000 0.000 0.204 382 K C 2.038 178.577 176.600 -0.103 0.000 1.050 382 K CA 1.339 57.525 56.287 -0.168 0.000 0.942 382 K CB -0.130 32.307 32.500 -0.103 0.000 0.724 382 K HN 0.220 nan 8.250 nan 0.000 0.446 383 S N 0.622 116.298 115.700 -0.039 0.000 2.515 383 S HA 0.032 4.503 4.470 0.000 0.000 0.231 383 S C 1.274 175.862 174.600 -0.019 0.000 0.987 383 S CA 0.552 58.737 58.200 -0.025 0.000 0.936 383 S CB 0.107 63.305 63.200 -0.004 0.000 0.766 383 S HN 0.268 nan 8.310 nan 0.000 0.528 384 L N 0.847 122.063 121.223 -0.013 0.000 2.693 384 L HA 0.186 4.526 4.340 0.000 0.000 0.235 384 L C 1.900 178.758 176.870 -0.019 0.000 1.127 384 L CA -0.073 54.773 54.840 0.011 0.000 0.914 384 L CB 0.045 42.149 42.059 0.075 0.000 1.193 384 L HN 0.082 nan 8.230 nan 0.000 0.502 385 Q N 0.413 120.155 119.800 -0.096 0.000 2.096 385 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 385 Q C 1.340 177.303 176.000 -0.063 0.000 0.982 385 Q CA 1.722 57.446 55.803 -0.133 0.000 0.850 385 Q CB -0.215 28.404 28.738 -0.197 0.000 0.901 385 Q HN 0.445 nan 8.270 nan 0.000 0.422 386 D N 0.231 120.603 120.400 -0.046 0.000 2.149 386 D HA -0.116 4.524 4.640 0.000 0.000 0.198 386 D C 1.930 178.223 176.300 -0.011 0.000 0.990 386 D CA 0.919 54.903 54.000 -0.027 0.000 0.839 386 D CB -0.140 40.646 40.800 -0.023 0.000 0.948 386 D HN 0.288 nan 8.370 nan 0.000 0.460 387 I N 0.188 120.756 120.570 -0.003 0.000 2.400 387 I HA -0.136 4.034 4.170 0.000 0.000 0.248 387 I C 2.015 178.145 176.117 0.020 0.000 1.109 387 I CA 0.272 61.577 61.300 0.009 0.000 1.425 387 I CB -0.078 37.930 38.000 0.014 0.000 1.094 387 I HN -0.038 nan 8.210 nan 0.000 0.425 388 I N 1.667 122.257 120.570 0.034 0.000 2.194 388 I HA -0.323 3.847 4.170 0.000 0.000 0.246 388 I C 2.818 178.956 176.117 0.036 0.000 1.093 388 I CA 1.988 63.321 61.300 0.056 0.000 1.355 388 I CB -1.475 36.590 38.000 0.107 0.000 1.046 388 I HN 0.222 nan 8.210 nan 0.000 0.413 389 A N 0.834 123.664 122.820 0.016 0.000 1.897 389 A HA -0.077 4.244 4.320 0.000 0.000 0.215 389 A C 2.237 179.826 177.584 0.008 0.000 1.181 389 A CA 1.037 53.079 52.037 0.008 0.000 0.620 389 A CB -0.301 18.695 19.000 -0.008 0.000 0.821 389 A HN 0.257 nan 8.150 nan 0.000 0.443 390 I N -0.648 119.926 120.570 0.006 0.000 2.296 390 I HA -0.031 4.139 4.170 0.000 0.000 0.242 390 I C 2.184 178.306 176.117 0.009 0.000 1.087 390 I CA 1.189 62.493 61.300 0.005 0.000 1.393 390 I CB -1.279 36.723 38.000 0.002 0.000 1.093 390 I HN 0.230 nan 8.210 nan 0.000 0.421 391 L N -0.360 120.869 121.223 0.011 0.000 2.515 391 L HA 0.371 4.711 4.340 0.000 0.000 0.223 391 L C 1.079 177.959 176.870 0.016 0.000 1.079 391 L CA 0.379 55.226 54.840 0.012 0.000 0.857 391 L CB -0.175 41.891 42.059 0.011 0.000 1.050 391 L HN 0.435 nan 8.230 nan 0.000 0.476 392 G N -0.395 108.417 108.800 0.021 0.000 2.757 392 G HA2 -0.242 3.718 3.960 0.000 0.000 0.638 392 G HA3 -0.242 3.718 3.960 0.000 0.000 0.638 392 G C 0.294 175.213 174.900 0.030 0.000 1.344 392 G CA -0.233 44.883 45.100 0.027 0.000 0.855 392 G HN -0.147 nan 8.290 nan 0.000 0.537 393 M N -0.122 119.496 119.600 0.031 0.000 2.213 393 M HA -0.029 4.452 4.480 0.000 0.000 0.263 393 M C 1.827 178.138 176.300 0.017 0.000 1.062 393 M CA 1.860 57.176 55.300 0.027 0.000 1.105 393 M CB -0.960 31.651 32.600 0.018 0.000 1.385 393 M HN 0.577 nan 8.290 nan 0.000 0.417 394 D N 0.254 120.663 120.400 0.014 0.000 2.348 394 D HA -0.085 4.555 4.640 0.000 0.000 0.216 394 D C 1.497 177.802 176.300 0.010 0.000 0.970 394 D CA 0.697 54.703 54.000 0.009 0.000 0.889 394 D CB 0.086 40.891 40.800 0.008 0.000 0.912 394 D HN 0.273 nan 8.370 nan 0.000 0.524 395 E N -0.019 120.188 120.200 0.013 0.000 2.463 395 E HA 0.126 4.476 4.350 0.000 0.000 0.193 395 E C 0.494 177.102 176.600 0.014 0.000 1.041 395 E CA -0.155 56.252 56.400 0.012 0.000 0.879 395 E CB 0.478 30.185 29.700 0.012 0.000 0.997 395 E HN 0.339 nan 8.360 nan 0.000 0.478 396 L N 1.267 122.499 121.223 0.016 0.000 2.439 396 L HA 0.156 4.496 4.340 0.000 0.000 0.261 396 L C 1.051 177.928 176.870 0.012 0.000 1.153 396 L CA -0.493 54.357 54.840 0.017 0.000 0.808 396 L CB 0.778 42.850 42.059 0.022 0.000 1.126 396 L HN -0.058 nan 8.230 nan 0.000 0.460 397 S N 0.111 115.818 115.700 0.011 0.000 2.584 397 S HA 0.068 4.539 4.470 0.000 0.000 0.270 397 S C 0.787 175.391 174.600 0.006 0.000 1.346 397 S CA -0.612 57.593 58.200 0.008 0.000 1.018 397 S CB 1.120 64.325 63.200 0.008 0.000 0.899 397 S HN 0.608 nan 8.310 nan 0.000 0.542 398 E N 0.971 121.173 120.200 0.003 0.000 2.150 398 E HA -0.140 4.210 4.350 0.000 0.000 0.193 398 E C 2.075 178.675 176.600 -0.000 0.000 0.985 398 E CA 1.042 57.442 56.400 0.000 0.000 0.814 398 E CB -0.264 29.436 29.700 -0.000 0.000 0.752 398 E HN 0.760 nan 8.360 nan 0.000 0.466 399 Q N 0.477 120.278 119.800 0.002 0.000 2.030 399 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 399 Q C 1.797 177.799 176.000 0.003 0.000 0.986 399 Q CA 1.454 57.258 55.803 0.003 0.000 0.843 399 Q CB 0.006 28.748 28.738 0.006 0.000 0.904 399 Q HN 0.224 nan 8.270 nan 0.000 0.420 400 D N 0.374 120.778 120.400 0.007 0.000 2.084 400 D HA -0.146 4.494 4.640 0.000 0.000 0.194 400 D C 1.656 177.957 176.300 0.002 0.000 0.990 400 D CA 0.987 54.995 54.000 0.012 0.000 0.826 400 D CB -0.205 40.609 40.800 0.023 0.000 0.971 400 D HN 0.109 nan 8.370 nan 0.000 0.453 401 K N 0.119 120.519 120.400 -0.001 0.000 2.173 401 K HA -0.195 4.125 4.320 0.000 0.000 0.207 401 K C 2.111 178.692 176.600 -0.031 0.000 1.046 401 K CA 0.738 57.017 56.287 -0.013 0.000 0.929 401 K CB -0.162 32.333 32.500 -0.008 0.000 0.720 401 K HN 0.027 nan 8.250 nan 0.000 0.453 402 L N 0.252 121.460 121.223 -0.024 0.000 2.068 402 L HA -0.109 4.232 4.340 0.000 0.000 0.204 402 L C 2.089 178.934 176.870 -0.042 0.000 1.076 402 L CA 1.722 56.544 54.840 -0.030 0.000 0.753 402 L CB -0.436 41.613 42.059 -0.016 0.000 0.910 402 L HN 0.134 nan 8.230 nan 0.000 0.439 403 T N -1.714 112.822 114.554 -0.030 0.000 2.821 403 T HA -0.136 4.214 4.350 0.000 0.000 0.267 403 T C 1.950 176.609 174.700 -0.068 0.000 1.046 403 T CA 1.343 63.425 62.100 -0.030 0.000 1.139 403 T CB -0.472 68.395 68.868 -0.002 0.000 0.871 403 T HN 0.135 nan 8.240 nan 0.000 0.454 404 V N 1.722 121.584 119.914 -0.086 0.000 2.237 404 V HA -0.203 3.918 4.120 0.000 0.000 0.245 404 V C 2.550 178.460 176.094 -0.308 0.000 1.046 404 V CA 1.788 63.958 62.300 -0.218 0.000 1.007 404 V CB -0.670 31.061 31.823 -0.153 0.000 0.638 404 V HN 0.490 nan 8.190 nan 0.000 0.445 405 E N -0.694 119.390 120.200 -0.193 0.000 2.273 405 E HA -0.272 4.078 4.350 0.000 0.000 0.198 405 E C 2.384 178.873 176.600 -0.186 0.000 1.002 405 E CA 1.272 57.568 56.400 -0.173 0.000 0.828 405 E CB -0.111 29.529 29.700 -0.100 0.000 0.747 405 E HN 0.406 nan 8.360 nan 0.000 0.491 406 R N -0.474 119.927 120.500 -0.165 0.000 2.112 406 R HA 0.080 4.420 4.340 0.000 0.000 0.216 406 R C 2.151 178.349 176.300 -0.168 0.000 1.080 406 R CA 0.834 56.840 56.100 -0.157 0.000 0.996 406 R CB 0.042 30.289 30.300 -0.089 0.000 0.902 406 R HN 0.107 nan 8.270 nan 0.000 0.449 407 A N 1.192 123.917 122.820 -0.159 0.000 1.877 407 A HA -0.175 4.145 4.320 0.000 0.000 0.216 407 A C 1.992 179.489 177.584 -0.146 0.000 1.186 407 A CA 1.313 53.285 52.037 -0.109 0.000 0.620 407 A CB -0.443 18.517 19.000 -0.067 0.000 0.822 407 A HN 0.281 nan 8.150 nan 0.000 0.443 408 R N -0.124 120.193 120.500 -0.304 0.000 2.133 408 R HA -0.203 4.137 4.340 0.000 0.000 0.247 408 R C 2.147 178.352 176.300 -0.159 0.000 1.151 408 R CA 1.932 57.893 56.100 -0.232 0.000 0.971 408 R CB -0.340 29.791 30.300 -0.283 0.000 0.866 408 R HN 0.563 nan 8.270 nan 0.000 0.447 409 K N 0.209 120.440 120.400 -0.281 0.000 2.044 409 K HA -0.024 4.296 4.320 0.000 0.000 0.204 409 K C 2.138 178.500 176.600 -0.397 0.000 1.049 409 K CA 1.056 57.015 56.287 -0.546 0.000 0.945 409 K CB -0.090 31.815 32.500 -0.991 0.000 0.724 409 K HN 0.089 nan 8.250 nan 0.000 0.440 410 I N 1.591 122.048 120.570 -0.190 0.000 2.179 410 I HA -0.313 3.857 4.170 0.000 0.000 0.242 410 I C 2.737 178.974 176.117 0.201 0.000 1.088 410 I CA 1.281 62.642 61.300 0.103 0.000 1.357 410 I CB -0.263 37.846 38.000 0.181 0.000 1.051 410 I HN 0.229 nan 8.210 nan 0.000 0.409 411 Q N 0.677 120.545 119.800 0.114 0.000 2.082 411 Q HA -0.312 4.028 4.340 0.000 0.000 0.211 411 Q C 2.392 178.481 176.000 0.148 0.000 1.002 411 Q CA 2.172 58.053 55.803 0.128 0.000 0.868 411 Q CB -0.041 28.771 28.738 0.123 0.000 0.931 411 Q HN 0.390 nan 8.270 nan 0.000 0.414 412 R N -0.985 119.609 120.500 0.157 0.000 2.092 412 R HA -0.097 4.243 4.340 0.000 0.000 0.231 412 R C 1.945 178.403 176.300 0.263 0.000 1.119 412 R CA 1.062 57.297 56.100 0.224 0.000 0.970 412 R CB -0.245 30.224 30.300 0.282 0.000 0.864 412 R HN 0.219 nan 8.270 nan 0.000 0.440 413 F N 0.733 120.729 119.950 0.077 0.000 2.641 413 F HA 0.022 4.554 4.527 0.008 0.000 0.298 413 F C 1.164 177.088 175.800 0.205 0.000 1.146 413 F CA 0.835 58.884 58.000 0.083 0.000 1.464 413 F CB 0.087 39.016 39.000 -0.117 0.000 1.101 413 F HN -0.049 nan 8.300 nan 0.000 0.585 414 L N -0.894 120.478 121.223 0.248 0.000 2.513 414 L HA 0.092 4.432 4.340 0.000 0.000 0.222 414 L C 1.283 178.167 176.870 0.024 0.000 1.096 414 L CA 0.172 55.095 54.840 0.137 0.000 0.857 414 L CB -0.528 41.599 42.059 0.114 0.000 1.026 414 L HN -0.010 nan 8.230 nan 0.000 0.469 415 S N -0.033 115.662 115.700 -0.008 0.000 2.564 415 S HA 0.321 4.792 4.470 0.000 0.000 0.278 415 S C -0.348 174.165 174.600 -0.145 0.000 1.333 415 S CA -0.440 57.687 58.200 -0.121 0.000 1.048 415 S CB 1.621 64.672 63.200 -0.247 0.000 0.900 415 S HN 0.276 nan 8.310 nan 0.000 0.505 416 Q N 1.484 121.157 119.800 -0.211 0.000 2.340 416 Q HA 0.438 4.779 4.340 0.000 0.000 0.276 416 Q C -3.004 172.845 176.000 -0.252 0.000 1.048 416 Q CA -2.426 53.271 55.803 -0.177 0.000 0.832 416 Q CB 2.466 31.148 28.738 -0.093 0.000 1.373 416 Q HN 0.519 nan 8.270 nan 0.000 0.409 417 P HA 0.157 nan 4.420 nan 0.000 0.276 417 P C -0.985 176.372 177.300 0.095 0.000 1.253 417 P CA -0.017 63.046 63.100 -0.062 0.000 0.766 417 P CB 0.219 31.912 31.700 -0.012 0.000 0.845 418 F N 1.827 121.749 119.950 -0.045 0.000 2.371 418 F HA 0.349 4.877 4.527 0.003 0.000 0.329 418 F C 1.840 177.614 175.800 -0.044 0.000 1.107 418 F CA -1.295 56.667 58.000 -0.063 0.000 1.137 418 F CB 0.170 39.121 39.000 -0.080 0.000 1.214 418 F HN 0.370 nan 8.300 nan 0.000 0.536 419 A N 1.867 124.764 122.820 0.128 0.000 1.930 419 A HA -0.025 4.296 4.320 0.000 0.000 0.217 419 A C 1.846 179.450 177.584 0.033 0.000 1.175 419 A CA 1.758 53.819 52.037 0.040 0.000 0.627 419 A CB -0.803 18.187 19.000 -0.016 0.000 0.815 419 A HN 0.526 nan 8.150 nan 0.000 0.443 420 V N -1.135 118.804 119.914 0.041 0.000 2.788 420 V HA 0.063 4.183 4.120 0.000 0.000 0.251 420 V C 2.457 178.614 176.094 0.105 0.000 1.068 420 V CA 1.153 63.479 62.300 0.043 0.000 1.090 420 V CB -0.943 30.892 31.823 0.021 0.000 0.710 420 V HN 0.496 nan 8.190 nan 0.000 0.467 421 A N 0.005 122.928 122.820 0.172 0.000 2.259 421 A HA -0.004 4.316 4.320 0.000 0.000 0.208 421 A C 1.991 179.646 177.584 0.118 0.000 1.201 421 A CA 0.705 52.868 52.037 0.210 0.000 0.824 421 A CB -0.588 18.517 19.000 0.175 0.000 0.838 421 A HN 0.582 nan 8.150 nan 0.000 0.485 422 E N -0.343 119.885 120.200 0.047 0.000 2.273 422 E HA -0.152 4.198 4.350 0.000 0.000 0.198 422 E C 1.183 177.741 176.600 -0.070 0.000 1.002 422 E CA 1.408 57.806 56.400 -0.004 0.000 0.828 422 E CB -0.049 29.643 29.700 -0.013 0.000 0.747 422 E HN 0.402 nan 8.360 nan 0.000 0.491 423 V N -0.097 119.709 119.914 -0.180 0.000 3.235 423 V HA -0.062 4.058 4.120 0.000 0.000 0.259 423 V C 1.029 176.841 176.094 -0.469 0.000 1.133 423 V CA 0.879 62.955 62.300 -0.372 0.000 1.128 423 V CB -0.229 31.273 31.823 -0.536 0.000 0.757 423 V HN 0.268 nan 8.190 nan 0.000 0.469 424 F N 0.398 120.325 119.950 -0.039 0.000 2.622 424 F HA 0.041 4.568 4.527 -0.001 0.000 0.288 424 F C 2.539 178.312 175.800 -0.045 0.000 1.120 424 F CA 1.118 59.085 58.000 -0.054 0.000 1.423 424 F CB -0.679 38.255 39.000 -0.110 0.000 1.127 424 F HN 0.208 nan 8.300 nan 0.000 0.588 425 T N -3.177 111.441 114.554 0.108 0.000 2.976 425 T HA 0.284 4.634 4.350 0.000 0.000 0.257 425 T C 1.764 176.497 174.700 0.054 0.000 1.051 425 T CA 0.669 62.811 62.100 0.070 0.000 1.141 425 T CB -0.492 68.395 68.868 0.032 0.000 0.881 425 T HN 0.380 nan 8.240 nan 0.000 0.461 426 G N 1.510 110.322 108.800 0.021 0.000 2.298 426 G HA2 -0.147 3.813 3.960 0.000 0.000 0.287 426 G HA3 -0.147 3.813 3.960 0.000 0.000 0.287 426 G C -0.211 174.700 174.900 0.018 0.000 1.075 426 G CA 0.213 45.318 45.100 0.008 0.000 0.960 426 G HN 0.721 nan 8.290 nan 0.000 0.502 427 I N -0.496 120.083 120.570 0.015 0.000 2.644 427 I HA 0.291 4.461 4.170 0.000 0.000 0.291 427 I C -2.416 173.709 176.117 0.014 0.000 1.180 427 I CA -2.514 58.797 61.300 0.018 0.000 1.040 427 I CB 2.706 40.720 38.000 0.024 0.000 1.255 427 I HN -0.142 nan 8.210 nan 0.000 0.422 428 P HA 0.027 nan 4.420 nan 0.000 0.261 428 P C 0.121 177.433 177.300 0.020 0.000 1.183 428 P CA -0.031 63.075 63.100 0.012 0.000 0.761 428 P CB 0.368 32.073 31.700 0.009 0.000 0.785 429 G N 4.128 112.945 108.800 0.028 0.000 2.389 429 G HA2 0.042 4.002 3.960 0.000 0.000 0.287 429 G HA3 0.042 4.002 3.960 0.000 0.000 0.287 429 G C 0.093 175.019 174.900 0.043 0.000 1.126 429 G CA -0.349 44.782 45.100 0.052 0.000 1.073 429 G HN 0.260 nan 8.290 nan 0.000 0.429 430 K N 1.463 121.890 120.400 0.045 0.000 2.202 430 K HA 0.318 4.638 4.320 0.000 0.000 0.264 430 K C -0.398 176.229 176.600 0.045 0.000 1.010 430 K CA -0.404 55.903 56.287 0.034 0.000 0.940 430 K CB 1.926 34.440 32.500 0.024 0.000 0.983 430 K HN 0.446 nan 8.250 nan 0.000 0.475 431 L N 2.486 123.723 121.223 0.023 0.000 2.404 431 L HA 0.324 4.664 4.340 0.000 0.000 0.272 431 L C -1.383 175.491 176.870 0.007 0.000 0.980 431 L CA -0.755 54.093 54.840 0.013 0.000 0.836 431 L CB 1.711 43.768 42.059 -0.004 0.000 1.238 431 L HN 0.183 nan 8.230 nan 0.000 0.408 432 V N 5.023 124.940 119.914 0.004 0.000 2.417 432 V HA 0.510 4.631 4.120 0.000 0.000 0.291 432 V C 0.180 176.271 176.094 -0.004 0.000 1.024 432 V CA -0.752 61.547 62.300 -0.002 0.000 0.861 432 V CB 1.722 33.537 31.823 -0.013 0.000 0.985 432 V HN 0.720 nan 8.190 nan 0.000 0.436 433 R N 2.681 123.182 120.500 0.001 0.000 2.594 433 R HA 0.215 4.555 4.340 0.000 0.000 0.272 433 R C 1.290 177.590 176.300 0.000 0.000 1.074 433 R CA -0.370 55.732 56.100 0.004 0.000 1.105 433 R CB 0.939 31.246 30.300 0.010 0.000 1.008 433 R HN 0.727 nan 8.270 nan 0.000 0.472 434 L N 3.326 124.552 121.223 0.004 0.000 2.012 434 L HA -0.244 4.096 4.340 0.000 0.000 0.210 434 L C 2.221 179.079 176.870 -0.020 0.000 1.073 434 L CA 1.854 56.693 54.840 -0.001 0.000 0.748 434 L CB -0.153 41.932 42.059 0.042 0.000 0.891 434 L HN 0.582 nan 8.230 nan 0.000 0.431 435 K N -0.399 120.004 120.400 0.006 0.000 2.063 435 K HA -0.229 4.091 4.320 0.000 0.000 0.208 435 K C 1.720 178.324 176.600 0.007 0.000 1.048 435 K CA 2.067 58.358 56.287 0.007 0.000 0.928 435 K CB -0.192 32.322 32.500 0.024 0.000 0.713 435 K HN 0.438 nan 8.250 nan 0.000 0.442 436 D N -0.502 119.906 120.400 0.013 0.000 2.097 436 D HA -0.106 4.534 4.640 0.000 0.000 0.197 436 D C 1.772 178.097 176.300 0.041 0.000 0.984 436 D CA 1.526 55.542 54.000 0.027 0.000 0.826 436 D CB -0.249 40.565 40.800 0.023 0.000 0.973 436 D HN 0.160 nan 8.370 nan 0.000 0.460 437 T N 0.043 114.611 114.554 0.024 0.000 2.635 437 T HA -0.176 4.174 4.350 0.000 0.000 0.267 437 T C 2.193 176.963 174.700 0.117 0.000 1.040 437 T CA 1.267 63.409 62.100 0.070 0.000 1.156 437 T CB -0.732 68.114 68.868 -0.036 0.000 0.863 437 T HN -0.035 nan 8.240 nan 0.000 0.430 438 V N 1.785 121.670 119.914 -0.048 0.000 2.287 438 V HA -0.212 3.908 4.120 0.000 0.000 0.248 438 V C 2.923 179.047 176.094 0.049 0.000 1.053 438 V CA 1.864 64.108 62.300 -0.093 0.000 1.027 438 V CB -1.222 30.475 31.823 -0.210 0.000 0.646 438 V HN 0.610 nan 8.190 nan 0.000 0.447 439 A N -1.035 121.821 122.820 0.061 0.000 2.014 439 A HA -0.131 4.189 4.320 0.000 0.000 0.218 439 A C 2.438 180.092 177.584 0.118 0.000 1.163 439 A CA 1.857 53.944 52.037 0.083 0.000 0.652 439 A CB -0.420 18.620 19.000 0.065 0.000 0.808 439 A HN 0.511 nan 8.150 nan 0.000 0.449 440 S N -0.871 114.914 115.700 0.141 0.000 2.377 440 S HA -0.005 4.465 4.470 0.000 0.000 0.223 440 S C 1.543 176.221 174.600 0.130 0.000 1.030 440 S CA 1.117 59.397 58.200 0.133 0.000 0.970 440 S CB -0.455 62.831 63.200 0.143 0.000 0.830 440 S HN 0.553 nan 8.310 nan 0.000 0.473 441 F N 1.975 122.003 119.950 0.131 0.000 2.206 441 F HA 0.075 4.604 4.527 0.003 0.000 0.298 441 F C 2.282 178.137 175.800 0.091 0.000 1.090 441 F CA 0.853 58.931 58.000 0.130 0.000 1.323 441 F CB -0.281 38.745 39.000 0.043 0.000 1.028 441 F HN 0.067 nan 8.300 nan 0.000 0.492 442 K N 0.574 121.114 120.400 0.233 0.000 2.044 442 K HA -0.250 4.070 4.320 0.000 0.000 0.210 442 K C 2.255 178.943 176.600 0.146 0.000 1.049 442 K CA 1.508 57.889 56.287 0.157 0.000 0.927 442 K CB -0.354 32.218 32.500 0.120 0.000 0.713 442 K HN 0.229 nan 8.250 nan 0.000 0.443 443 A N 0.487 123.403 122.820 0.161 0.000 1.877 443 A HA -0.108 4.212 4.320 0.000 0.000 0.216 443 A C 2.233 179.959 177.584 0.238 0.000 1.186 443 A CA 1.671 53.837 52.037 0.215 0.000 0.620 443 A CB -0.653 18.538 19.000 0.319 0.000 0.822 443 A HN 0.185 nan 8.150 nan 0.000 0.443 444 V N 0.185 120.189 119.914 0.149 0.000 2.469 444 V HA -0.271 3.849 4.120 0.000 0.000 0.251 444 V C 2.517 178.666 176.094 0.091 0.000 1.064 444 V CA 1.912 64.269 62.300 0.094 0.000 1.066 444 V CB -0.819 30.942 31.823 -0.103 0.000 0.667 444 V HN 0.552 nan 8.190 nan 0.000 0.461 445 L N -0.364 120.922 121.223 0.106 0.000 2.093 445 L HA -0.168 4.172 4.340 0.000 0.000 0.208 445 L C 2.405 179.319 176.870 0.074 0.000 1.085 445 L CA 1.528 56.420 54.840 0.087 0.000 0.755 445 L CB -0.529 41.590 42.059 0.100 0.000 0.904 445 L HN 0.345 nan 8.230 nan 0.000 0.435 446 E N 0.016 120.269 120.200 0.088 0.000 2.478 446 E HA -0.031 4.319 4.350 0.000 0.000 0.198 446 E C 1.153 177.785 176.600 0.052 0.000 1.046 446 E CA 0.500 56.940 56.400 0.067 0.000 0.870 446 E CB -0.032 29.710 29.700 0.070 0.000 0.818 446 E HN 0.531 nan 8.360 nan 0.000 0.527 447 G N 1.740 110.581 108.800 0.068 0.000 2.212 447 G HA2 -0.334 3.626 3.960 0.000 0.000 0.255 447 G HA3 -0.334 3.626 3.960 0.000 0.000 0.255 447 G C 0.608 175.523 174.900 0.026 0.000 1.062 447 G CA 0.566 45.695 45.100 0.049 0.000 0.815 447 G HN 0.275 nan 8.290 nan 0.000 0.497 448 K N -1.112 119.311 120.400 0.038 0.000 2.243 448 K HA 0.089 4.409 4.320 0.000 0.000 0.201 448 K C 0.654 177.052 176.600 -0.337 0.000 1.051 448 K CA 1.009 57.185 56.287 -0.186 0.000 0.970 448 K CB 0.314 32.623 32.500 -0.318 0.000 0.755 448 K HN 0.580 nan 8.250 nan 0.000 0.465 449 Y N 0.925 121.238 120.300 0.021 0.000 2.685 449 Y HA 0.176 4.723 4.550 -0.006 0.000 0.339 449 Y C 0.481 176.430 175.900 0.082 0.000 0.961 449 Y CA -0.706 57.426 58.100 0.054 0.000 1.330 449 Y CB 0.397 38.917 38.460 0.100 0.000 1.269 449 Y HN -0.058 nan 8.280 nan 0.000 0.566 450 D N 0.548 121.020 120.400 0.120 0.000 2.194 450 D HA -0.142 4.498 4.640 0.000 0.000 0.204 450 D C 1.798 178.140 176.300 0.070 0.000 0.964 450 D CA 1.083 55.128 54.000 0.075 0.000 0.846 450 D CB -0.004 40.811 40.800 0.026 0.000 0.962 450 D HN 0.492 nan 8.370 nan 0.000 0.490 451 N N 1.159 119.890 118.700 0.051 0.000 2.364 451 N HA -0.155 4.585 4.740 0.000 0.000 0.183 451 N C 0.789 176.335 175.510 0.059 0.000 1.022 451 N CA 0.309 53.381 53.050 0.035 0.000 0.883 451 N CB -0.511 37.980 38.487 0.006 0.000 0.965 451 N HN 0.227 nan 8.380 nan 0.000 0.438 452 I N 2.966 123.601 120.570 0.108 0.000 2.471 452 I HA 0.109 4.279 4.170 0.000 0.000 0.286 452 I C -1.795 174.425 176.117 0.172 0.000 1.079 452 I CA -1.844 59.520 61.300 0.107 0.000 1.398 452 I CB 0.659 38.696 38.000 0.062 0.000 1.403 452 I HN -0.035 nan 8.210 nan 0.000 0.530 453 P HA 0.012 nan 4.420 nan 0.000 0.269 453 P C 0.124 177.558 177.300 0.223 0.000 1.217 453 P CA 0.006 63.179 63.100 0.122 0.000 0.783 453 P CB 0.772 32.516 31.700 0.074 0.000 0.898 454 E N 0.243 120.567 120.200 0.207 0.000 2.051 454 E HA -0.239 4.111 4.350 0.000 0.000 0.192 454 E C 1.918 178.715 176.600 0.328 0.000 0.991 454 E CA 0.973 57.534 56.400 0.269 0.000 0.799 454 E CB -0.440 29.334 29.700 0.123 0.000 0.748 454 E HN 0.609 nan 8.360 nan 0.000 0.449 455 H N 0.044 119.184 119.070 0.117 0.000 2.518 455 H HA -0.063 4.492 4.556 -0.003 0.000 0.292 455 H C 1.772 177.167 175.328 0.110 0.000 1.068 455 H CA 1.116 57.209 56.048 0.073 0.000 1.275 455 H CB 0.218 29.971 29.762 -0.015 0.000 1.375 455 H HN 0.181 nan 8.280 nan 0.000 0.563 456 A N 0.050 122.916 122.820 0.077 0.000 2.014 456 A HA -0.096 4.224 4.320 0.000 0.000 0.218 456 A C 1.863 179.311 177.584 -0.226 0.000 1.163 456 A CA 0.695 52.657 52.037 -0.124 0.000 0.652 456 A CB -0.803 18.027 19.000 -0.283 0.000 0.808 456 A HN 0.327 nan 8.150 nan 0.000 0.449 457 F N -2.260 117.647 119.950 -0.072 0.000 2.710 457 F HA 0.128 4.646 4.527 -0.014 0.000 0.298 457 F C 0.795 176.651 175.800 0.093 0.000 1.137 457 F CA 0.062 58.002 58.000 -0.098 0.000 1.444 457 F CB -0.266 38.623 39.000 -0.186 0.000 1.111 457 F HN 0.294 nan 8.300 nan 0.000 0.580 458 Y N 0.978 121.310 120.300 0.054 0.000 2.359 458 Y HA 0.316 4.869 4.550 0.005 0.000 0.334 458 Y C 0.842 176.725 175.900 -0.029 0.000 1.058 458 Y CA -1.383 56.705 58.100 -0.019 0.000 1.244 458 Y CB 0.495 38.819 38.460 -0.228 0.000 1.187 458 Y HN 0.130 nan 8.280 nan 0.000 0.510 459 M N 4.425 123.813 119.600 -0.354 0.000 2.537 459 M HA -0.188 4.292 4.480 0.000 0.000 0.205 459 M C -1.418 174.838 176.300 -0.074 0.000 0.450 459 M CA 1.231 56.361 55.300 -0.283 0.000 0.553 459 M CB -1.662 30.739 32.600 -0.332 0.000 2.046 459 M HN 0.404 nan 8.290 nan 0.000 0.797 460 V N -3.920 115.996 119.914 0.003 0.000 3.302 460 V HA 1.097 5.217 4.120 0.000 0.000 0.304 460 V C 1.011 177.131 176.094 0.044 0.000 1.209 460 V CA -0.183 62.143 62.300 0.043 0.000 1.032 460 V CB 1.044 32.910 31.823 0.072 0.000 1.219 460 V HN 0.359 nan 8.190 nan 0.000 0.469 461 G N -0.631 108.201 108.800 0.053 0.000 3.411 461 G HA2 0.576 4.536 3.960 0.000 0.000 0.186 461 G HA3 0.576 4.536 3.960 0.000 0.000 0.186 461 G C 0.524 175.443 174.900 0.031 0.000 1.766 461 G CA -0.079 45.036 45.100 0.025 0.000 0.971 461 G HN 1.268 nan 8.290 nan 0.000 0.590 462 G N -0.773 108.051 108.800 0.040 0.000 2.468 462 G HA2 0.299 4.259 3.960 0.000 0.000 0.264 462 G HA3 0.299 4.259 3.960 0.000 0.000 0.264 462 G C 1.018 176.035 174.900 0.195 0.000 1.460 462 G CA 0.247 45.386 45.100 0.066 0.000 1.060 462 G HN 0.389 nan 8.290 nan 0.000 0.543 463 I N -0.521 120.136 120.570 0.146 0.000 2.202 463 I HA -0.044 4.126 4.170 0.000 0.000 0.242 463 I C 2.516 178.608 176.117 -0.041 0.000 1.091 463 I CA 1.480 62.807 61.300 0.045 0.000 1.368 463 I CB -0.344 37.642 38.000 -0.024 0.000 1.058 463 I HN 0.593 nan 8.210 nan 0.000 0.410 464 E N 0.292 120.495 120.200 0.006 0.000 2.160 464 E HA -0.245 4.105 4.350 0.000 0.000 0.195 464 E C 1.595 178.180 176.600 -0.025 0.000 0.991 464 E CA 1.390 57.789 56.400 -0.002 0.000 0.810 464 E CB -0.144 29.565 29.700 0.015 0.000 0.742 464 E HN 0.573 nan 8.360 nan 0.000 0.466 465 D N -0.154 120.237 120.400 -0.014 0.000 2.178 465 D HA -0.107 4.534 4.640 0.000 0.000 0.202 465 D C 2.019 178.269 176.300 -0.084 0.000 0.974 465 D CA 0.520 54.507 54.000 -0.022 0.000 0.841 465 D CB -0.005 40.806 40.800 0.018 0.000 0.953 465 D HN 0.067 nan 8.370 nan 0.000 0.478 466 V N 0.853 120.663 119.914 -0.173 0.000 2.358 466 V HA -0.197 3.923 4.120 0.000 0.000 0.246 466 V C 2.700 178.622 176.094 -0.288 0.000 1.047 466 V CA 0.985 63.057 62.300 -0.380 0.000 1.035 466 V CB -0.523 30.822 31.823 -0.796 0.000 0.658 466 V HN 0.055 nan 8.190 nan 0.000 0.452 467 V N 0.785 120.592 119.914 -0.178 0.000 2.332 467 V HA -0.268 3.852 4.120 0.000 0.000 0.248 467 V C 2.756 178.809 176.094 -0.069 0.000 1.055 467 V CA 2.023 64.273 62.300 -0.083 0.000 1.038 467 V CB -1.472 30.344 31.823 -0.011 0.000 0.651 467 V HN 0.535 nan 8.190 nan 0.000 0.450 468 A N -0.122 122.662 122.820 -0.060 0.000 1.902 468 A HA -0.271 4.049 4.320 0.000 0.000 0.217 468 A C 2.370 179.930 177.584 -0.041 0.000 1.181 468 A CA 2.286 54.300 52.037 -0.038 0.000 0.623 468 A CB -0.476 18.509 19.000 -0.025 0.000 0.818 468 A HN 0.538 nan 8.150 nan 0.000 0.443 469 K N -0.665 119.696 120.400 -0.064 0.000 2.167 469 K HA 0.099 4.419 4.320 0.000 0.000 0.203 469 K C 2.073 178.642 176.600 -0.052 0.000 1.052 469 K CA 0.879 57.136 56.287 -0.050 0.000 0.956 469 K CB -0.227 32.234 32.500 -0.065 0.000 0.735 469 K HN 0.378 nan 8.250 nan 0.000 0.451 470 A N 1.042 123.808 122.820 -0.089 0.000 1.898 470 A HA -0.146 4.174 4.320 0.000 0.000 0.216 470 A C 1.770 179.332 177.584 -0.038 0.000 1.181 470 A CA 1.454 53.446 52.037 -0.074 0.000 0.620 470 A CB -0.341 18.597 19.000 -0.102 0.000 0.819 470 A HN 0.377 nan 8.150 nan 0.000 0.442 471 E N -0.479 119.701 120.200 -0.033 0.000 2.150 471 E HA -0.139 4.211 4.350 0.000 0.000 0.193 471 E C 2.038 178.630 176.600 -0.013 0.000 0.985 471 E CA 0.986 57.374 56.400 -0.020 0.000 0.814 471 E CB -0.054 29.635 29.700 -0.018 0.000 0.752 471 E HN 0.536 nan 8.360 nan 0.000 0.466 472 K N 0.631 121.024 120.400 -0.011 0.000 2.148 472 K HA -0.105 4.215 4.320 0.000 0.000 0.204 472 K C 1.817 178.418 176.600 0.003 0.000 1.050 472 K CA 0.815 57.100 56.287 -0.002 0.000 0.942 472 K CB 0.150 32.652 32.500 0.003 0.000 0.724 472 K HN 0.170 nan 8.250 nan 0.000 0.446 473 L N -0.413 120.811 121.223 0.002 0.000 2.298 473 L HA 0.052 4.392 4.340 0.000 0.000 0.209 473 L C 2.484 179.352 176.870 -0.003 0.000 1.084 473 L CA 0.517 55.360 54.840 0.006 0.000 0.816 473 L CB -0.367 41.703 42.059 0.019 0.000 0.967 473 L HN 0.118 nan 8.230 nan 0.000 0.460 474 A N 0.790 123.607 122.820 -0.006 0.000 1.849 474 A HA -0.035 4.285 4.320 0.000 0.000 0.217 474 A C 1.399 178.978 177.584 -0.007 0.000 1.202 474 A CA 1.923 53.956 52.037 -0.007 0.000 0.629 474 A CB -0.558 18.437 19.000 -0.009 0.000 0.834 474 A HN 0.383 nan 8.150 nan 0.000 0.447 475 A N 0.000 122.816 122.820 -0.007 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486