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 2aa0_1_A DATA FIRST_RESID 10 DATA SEQUENCE TGPMRVFAIG NPILDLVAEV PSSFLDEFFL KRGDATLATP EQMRIYSTLD DATA SEQUENCE QFNPTSLPGG SALNSVRVVQ KLLRKPGSAG YMGAIGDDPR GQVLKELCDK DATA SEQUENCE EGLATRFMVA PGQSTGVCAV LINEKERTLC THLGACGSFR LPEDWTTFAS DATA SEQUENCE GALIFYATAY TLTATPKNAL EVAGYAHGIP NAIFTLNLSA PFCVELYKDA DATA SEQUENCE MQSLLLHTNI LFGNEEEFAH LAKVHNLVAA EKTALSTANK EHAVEVCTGA DATA SEQUENCE LRLLTAGQNT SATKLVVMTR GHNPVIAAEQ TADGTVVVHE VGVPVVAAEK DATA SEQUENCE IVDTNGAGDA FVGGFLYALS QGKTVKQCIM CGNACAQDVI QHVGFSLSFT DATA SEQUENCE F 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.690 174.700 -0.017 0.000 1.109 10 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 10 T CB 0.000 68.865 68.868 -0.004 0.000 0.612 11 G N 1.609 110.399 108.800 -0.017 0.000 2.685 11 G HA2 0.253 4.213 3.960 -0.000 0.000 0.387 11 G HA3 0.253 4.213 3.960 -0.000 0.000 0.387 11 G C -2.840 172.054 174.900 -0.011 0.000 1.324 11 G CA -0.213 44.873 45.100 -0.023 0.000 0.878 11 G HN 0.847 nan 8.290 nan 0.000 0.527 12 P HA 0.406 nan 4.420 nan 0.000 0.278 12 P C -0.103 177.186 177.300 -0.017 0.000 1.238 12 P CA -0.430 62.657 63.100 -0.020 0.000 0.794 12 P CB 1.020 32.710 31.700 -0.017 0.000 0.955 13 M N 3.642 123.223 119.600 -0.032 0.000 2.188 13 M HA 0.076 4.556 4.480 -0.000 0.000 0.354 13 M C 0.962 177.256 176.300 -0.010 0.000 1.342 13 M CA -0.167 55.122 55.300 -0.019 0.000 1.117 13 M CB 0.606 33.178 32.600 -0.046 0.000 1.670 13 M HN 0.205 nan 8.290 nan 0.000 0.466 14 R N 3.283 123.789 120.500 0.009 0.000 2.254 14 R HA 0.315 4.655 4.340 -0.000 0.000 0.193 14 R C -0.491 175.803 176.300 -0.010 0.000 0.929 14 R CA 0.392 56.490 56.100 -0.004 0.000 1.038 14 R CB 0.268 30.573 30.300 0.009 0.000 1.009 14 R HN 0.536 nan 8.270 nan 0.000 0.512 15 V N 1.301 121.236 119.914 0.036 0.000 2.808 15 V HA 0.387 4.507 4.120 -0.000 0.000 0.308 15 V C -1.421 174.781 176.094 0.181 0.000 1.099 15 V CA -1.097 61.239 62.300 0.060 0.000 0.920 15 V CB 2.638 34.503 31.823 0.069 0.000 1.014 15 V HN 0.008 nan 8.190 nan 0.000 0.425 16 F N 3.653 123.637 119.950 0.057 0.000 2.507 16 F HA 0.904 5.431 4.527 -0.000 0.000 0.325 16 F C -0.061 175.916 175.800 0.296 0.000 1.116 16 F CA -0.459 57.673 58.000 0.220 0.000 0.930 16 F CB 1.652 40.854 39.000 0.337 0.000 1.146 16 F HN 0.693 nan 8.300 nan 0.000 0.447 17 A N 6.526 128.961 122.820 -0.643 0.000 2.515 17 A HA 0.836 5.156 4.320 -0.000 0.000 0.296 17 A C -1.364 175.691 177.584 -0.881 0.000 1.094 17 A CA -0.742 51.026 52.037 -0.448 0.000 0.718 17 A CB 1.425 20.471 19.000 0.076 0.000 1.307 17 A HN 0.925 nan 8.150 nan 0.000 0.408 18 I N -1.179 119.030 120.570 -0.601 0.000 2.603 18 I HA 0.988 5.158 4.170 -0.000 0.000 0.300 18 I C 0.147 175.954 176.117 -0.516 0.000 1.017 18 I CA -0.697 60.212 61.300 -0.652 0.000 1.098 18 I CB 2.211 40.074 38.000 -0.228 0.000 1.279 18 I HN 0.959 nan 8.210 nan 0.000 0.437 19 G N 2.935 111.365 108.800 -0.617 0.000 2.554 19 G HA2 0.284 4.244 3.960 -0.000 0.000 0.306 19 G HA3 0.284 4.244 3.960 -0.000 0.000 0.306 19 G C -1.852 172.987 174.900 -0.102 0.000 1.320 19 G CA -0.817 44.175 45.100 -0.181 0.000 0.800 19 G HN 0.583 nan 8.290 nan 0.000 0.481 20 N N 2.363 121.092 118.700 0.048 0.000 2.527 20 N HA 0.392 5.132 4.740 -0.000 0.000 0.236 20 N C -2.648 172.916 175.510 0.090 0.000 0.999 20 N CA -1.045 52.019 53.050 0.024 0.000 0.935 20 N CB 1.940 40.413 38.487 -0.023 0.000 1.132 20 N HN 0.236 nan 8.380 nan 0.000 0.511 21 P HA 0.271 nan 4.420 nan 0.000 0.276 21 P C -0.374 176.906 177.300 -0.034 0.000 1.264 21 P CA 0.048 63.209 63.100 0.101 0.000 0.769 21 P CB 0.835 32.654 31.700 0.199 0.000 0.840 22 I N 3.713 124.252 120.570 -0.051 0.000 2.545 22 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 22 I C -0.114 175.960 176.117 -0.071 0.000 1.040 22 I CA -1.301 59.956 61.300 -0.071 0.000 1.068 22 I CB 2.515 40.481 38.000 -0.057 0.000 1.251 22 I HN 0.158 nan 8.210 nan 0.000 0.424 23 L N 5.519 126.690 121.223 -0.087 0.000 2.264 23 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 23 L C -0.726 176.121 176.870 -0.037 0.000 1.044 23 L CA 0.094 54.892 54.840 -0.071 0.000 0.807 23 L CB 0.524 42.529 42.059 -0.090 0.000 1.192 23 L HN 0.389 nan 8.230 nan 0.000 0.425 24 D N 5.558 125.956 120.400 -0.004 0.000 2.264 24 D HA 0.335 4.975 4.640 -0.000 0.000 0.250 24 D C -0.541 175.762 176.300 0.004 0.000 1.113 24 D CA 0.346 54.362 54.000 0.027 0.000 0.871 24 D CB 1.348 42.186 40.800 0.063 0.000 1.167 24 D HN 0.450 nan 8.370 nan 0.000 0.447 25 L N 2.717 123.956 121.223 0.026 0.000 2.301 25 L HA 0.342 4.682 4.340 -0.000 0.000 0.278 25 L C -0.461 176.409 176.870 0.000 0.000 1.022 25 L CA -0.877 53.976 54.840 0.021 0.000 0.854 25 L CB 1.292 43.391 42.059 0.067 0.000 1.226 25 L HN -0.025 nan 8.230 nan 0.000 0.429 26 V N 2.666 122.557 119.914 -0.038 0.000 2.481 26 V HA 0.864 4.984 4.120 -0.000 0.000 0.286 26 V C 0.279 176.332 176.094 -0.068 0.000 1.042 26 V CA -0.352 61.906 62.300 -0.070 0.000 0.928 26 V CB 1.426 33.179 31.823 -0.117 0.000 0.986 26 V HN 0.866 nan 8.190 nan 0.000 0.462 27 A N 3.722 126.485 122.820 -0.095 0.000 2.583 27 A HA 0.575 4.895 4.320 -0.000 0.000 0.298 27 A C -0.901 176.581 177.584 -0.170 0.000 1.055 27 A CA -0.790 51.184 52.037 -0.106 0.000 0.714 27 A CB 0.973 19.922 19.000 -0.084 0.000 1.277 27 A HN 0.748 nan 8.150 nan 0.000 0.406 28 E N 0.430 120.543 120.200 -0.145 0.000 2.313 28 E HA 0.483 4.833 4.350 -0.000 0.000 0.276 28 E C -0.085 176.319 176.600 -0.326 0.000 1.031 28 E CA -0.394 55.901 56.400 -0.174 0.000 0.857 28 E CB 1.675 31.318 29.700 -0.095 0.000 1.040 28 E HN 0.982 nan 8.360 nan 0.000 0.408 29 V N 0.008 119.674 119.914 -0.413 0.000 3.078 29 V HA 0.592 4.712 4.120 -0.000 0.000 0.311 29 V C -2.814 173.067 176.094 -0.356 0.000 1.138 29 V CA -2.864 59.013 62.300 -0.705 0.000 1.007 29 V CB 1.619 32.754 31.823 -1.146 0.000 1.045 29 V HN 0.445 nan 8.190 nan 0.000 0.432 30 P HA 0.378 nan 4.420 nan 0.000 0.274 30 P C 0.717 178.012 177.300 -0.009 0.000 1.237 30 P CA -0.083 62.980 63.100 -0.062 0.000 0.793 30 P CB 0.967 32.691 31.700 0.040 0.000 0.977 31 S N 0.262 115.966 115.700 0.007 0.000 2.442 31 S HA -0.136 4.334 4.470 -0.000 0.000 0.236 31 S C 1.786 176.403 174.600 0.028 0.000 1.007 31 S CA 1.615 59.826 58.200 0.018 0.000 0.965 31 S CB -0.836 62.369 63.200 0.007 0.000 0.773 31 S HN 0.667 nan 8.310 nan 0.000 0.504 32 S N 0.804 116.525 115.700 0.034 0.000 2.447 32 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 32 S C 1.528 176.132 174.600 0.007 0.000 1.006 32 S CA 0.466 58.670 58.200 0.006 0.000 0.957 32 S CB -0.619 62.593 63.200 0.020 0.000 0.773 32 S HN 0.492 nan 8.310 nan 0.000 0.507 33 F N 2.413 122.323 119.950 -0.068 0.000 2.084 33 F HA 0.124 4.651 4.527 -0.000 0.000 0.296 33 F C 2.014 177.826 175.800 0.019 0.000 1.111 33 F CA 1.268 59.255 58.000 -0.022 0.000 1.224 33 F CB -0.330 38.596 39.000 -0.123 0.000 0.991 33 F HN 0.112 nan 8.300 nan 0.000 0.471 34 L N -0.148 121.190 121.223 0.191 0.000 2.042 34 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 34 L C 2.129 178.972 176.870 -0.045 0.000 1.076 34 L CA 1.472 56.373 54.840 0.102 0.000 0.749 34 L CB -0.878 41.235 42.059 0.089 0.000 0.893 34 L HN 0.168 nan 8.230 nan 0.000 0.432 35 D N 0.060 120.396 120.400 -0.105 0.000 2.117 35 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 35 D C 2.051 178.049 176.300 -0.503 0.000 0.982 35 D CA 1.153 55.026 54.000 -0.213 0.000 0.828 35 D CB -0.062 40.648 40.800 -0.149 0.000 0.967 35 D HN 0.423 nan 8.370 nan 0.000 0.464 36 E N -0.433 119.452 120.200 -0.524 0.000 2.153 36 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 36 E C 1.047 176.997 176.600 -1.084 0.000 0.988 36 E CA 0.685 56.602 56.400 -0.806 0.000 0.811 36 E CB -0.022 29.205 29.700 -0.788 0.000 0.746 36 E HN 0.248 nan 8.360 nan 0.000 0.466 37 F N -0.791 118.807 119.950 -0.586 0.000 2.641 37 F HA 0.203 4.730 4.527 -0.000 0.000 0.302 37 F C -0.394 175.308 175.800 -0.164 0.000 1.098 37 F CA -0.470 57.294 58.000 -0.394 0.000 1.318 37 F CB 0.054 38.821 39.000 -0.388 0.000 1.035 37 F HN -0.163 nan 8.300 nan 0.000 0.551 38 F N -0.034 119.921 119.950 0.009 0.000 3.027 38 F HA -0.265 4.262 4.527 -0.000 0.000 0.276 38 F C -0.084 175.735 175.800 0.033 0.000 0.967 38 F CA -0.175 57.831 58.000 0.010 0.000 0.929 38 F CB -2.146 36.854 39.000 0.000 0.000 0.873 38 F HN -0.126 nan 8.300 nan 0.000 0.787 39 L N 1.262 122.567 121.223 0.136 0.000 2.334 39 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 39 L C 0.440 177.363 176.870 0.089 0.000 1.036 39 L CA -1.019 53.888 54.840 0.111 0.000 0.807 39 L CB 1.522 43.640 42.059 0.098 0.000 1.231 39 L HN 0.038 nan 8.230 nan 0.000 0.438 40 K N 3.343 123.790 120.400 0.077 0.000 2.293 40 K HA 0.332 4.652 4.320 -0.000 0.000 0.267 40 K C -0.407 176.226 176.600 0.055 0.000 1.010 40 K CA -0.744 55.581 56.287 0.063 0.000 0.875 40 K CB 1.560 34.095 32.500 0.059 0.000 1.106 40 K HN 0.529 nan 8.250 nan 0.000 0.450 41 R N 1.355 121.884 120.500 0.048 0.000 2.494 41 R HA -0.051 4.289 4.340 -0.000 0.000 0.291 41 R C 0.700 177.024 176.300 0.041 0.000 0.953 41 R CA 2.093 58.218 56.100 0.041 0.000 1.098 41 R CB -0.373 29.946 30.300 0.032 0.000 0.911 41 R HN 1.045 nan 8.270 nan 0.000 0.407 42 G N 2.908 111.734 108.800 0.043 0.000 2.195 42 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 42 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 42 G C -0.504 174.427 174.900 0.051 0.000 0.984 42 G CA 0.302 45.429 45.100 0.045 0.000 0.633 42 G HN 0.672 nan 8.290 nan 0.000 0.525 43 D N 0.523 120.955 120.400 0.054 0.000 2.229 43 D HA 0.709 5.349 4.640 -0.000 0.000 0.249 43 D C 0.297 176.633 176.300 0.061 0.000 1.027 43 D CA 0.733 54.767 54.000 0.057 0.000 0.923 43 D CB 1.544 42.376 40.800 0.055 0.000 1.174 43 D HN 0.691 nan 8.370 nan 0.000 0.443 44 A N 1.105 123.964 122.820 0.066 0.000 2.287 44 A HA 0.698 5.018 4.320 -0.000 0.000 0.317 44 A C -0.141 177.480 177.584 0.062 0.000 1.220 44 A CA -0.477 51.600 52.037 0.068 0.000 0.835 44 A CB 0.509 19.555 19.000 0.078 0.000 1.180 44 A HN 0.560 nan 8.150 nan 0.000 0.500 45 T N -0.263 114.320 114.554 0.048 0.000 2.812 45 T HA 0.711 5.061 4.350 -0.000 0.000 0.294 45 T C -0.618 174.094 174.700 0.020 0.000 1.159 45 T CA -0.790 61.325 62.100 0.024 0.000 1.008 45 T CB 0.753 69.634 68.868 0.023 0.000 1.289 45 T HN 0.416 nan 8.240 nan 0.000 0.514 46 L N 1.468 122.685 121.223 -0.009 0.000 2.307 46 L HA 0.649 4.989 4.340 -0.000 0.000 0.282 46 L C 0.993 177.893 176.870 0.051 0.000 1.051 46 L CA -1.279 53.566 54.840 0.009 0.000 0.804 46 L CB 1.238 43.266 42.059 -0.052 0.000 1.197 46 L HN 1.058 nan 8.230 nan 0.000 0.431 47 A N 2.267 125.160 122.820 0.122 0.000 2.567 47 A HA 0.277 4.597 4.320 -0.000 0.000 0.240 47 A C 0.615 178.260 177.584 0.101 0.000 1.053 47 A CA 0.101 52.213 52.037 0.125 0.000 0.755 47 A CB -0.241 18.897 19.000 0.229 0.000 0.978 47 A HN 0.767 nan 8.150 nan 0.000 0.507 48 T N 0.729 115.323 114.554 0.066 0.000 2.881 48 T HA 0.522 4.872 4.350 -0.000 0.000 0.278 48 T C -1.885 172.852 174.700 0.061 0.000 0.982 48 T CA -1.509 60.624 62.100 0.056 0.000 0.989 48 T CB 0.907 69.802 68.868 0.047 0.000 1.058 48 T HN 0.298 nan 8.240 nan 0.000 0.529 49 P HA -0.116 nan 4.420 nan 0.000 0.216 49 P C 1.221 178.555 177.300 0.057 0.000 1.150 49 P CA 1.186 64.314 63.100 0.048 0.000 0.843 49 P CB -0.067 31.653 31.700 0.033 0.000 0.787 50 E N -0.417 119.827 120.200 0.075 0.000 2.502 50 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 50 E C 1.144 177.855 176.600 0.186 0.000 1.062 50 E CA 0.374 56.845 56.400 0.118 0.000 0.867 50 E CB -0.458 29.322 29.700 0.134 0.000 0.888 50 E HN 0.351 nan 8.360 nan 0.000 0.510 51 Q N -0.389 119.485 119.800 0.124 0.000 2.171 51 Q HA 0.201 4.541 4.340 -0.000 0.000 0.218 51 Q C 0.989 176.922 176.000 -0.112 0.000 0.822 51 Q CA -0.332 55.503 55.803 0.054 0.000 0.987 51 Q CB 0.382 29.106 28.738 -0.025 0.000 1.144 51 Q HN 0.170 nan 8.270 nan 0.000 0.494 52 M N 0.351 119.938 119.600 -0.022 0.000 2.460 52 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 52 M C 2.052 178.325 176.300 -0.045 0.000 1.071 52 M CA 1.310 56.580 55.300 -0.049 0.000 1.096 52 M CB -0.138 32.448 32.600 -0.023 0.000 1.408 52 M HN 0.228 nan 8.290 nan 0.000 0.463 53 R N -0.358 120.133 120.500 -0.015 0.000 2.359 53 R HA 0.316 4.656 4.340 -0.000 0.000 0.231 53 R C 1.662 177.906 176.300 -0.095 0.000 0.913 53 R CA 0.425 56.541 56.100 0.027 0.000 1.075 53 R CB -1.579 28.797 30.300 0.125 0.000 1.087 53 R HN 0.579 nan 8.270 nan 0.000 0.515 54 I N -0.411 119.848 120.570 -0.518 0.000 2.286 54 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 54 I C 1.718 177.522 176.117 -0.523 0.000 1.115 54 I CA 1.748 62.441 61.300 -1.010 0.000 1.392 54 I CB 0.089 37.226 38.000 -1.438 0.000 1.065 54 I HN 0.516 nan 8.210 nan 0.000 0.418 55 Y N 0.669 120.906 120.300 -0.105 0.000 2.200 55 Y HA -0.234 4.316 4.550 -0.000 0.000 0.290 55 Y C 3.014 178.930 175.900 0.026 0.000 1.137 55 Y CA 1.416 59.501 58.100 -0.026 0.000 1.163 55 Y CB -0.765 37.668 38.460 -0.044 0.000 0.988 55 Y HN 0.284 nan 8.280 nan 0.000 0.518 56 S N -1.296 114.489 115.700 0.142 0.000 2.402 56 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 56 S C 1.802 176.480 174.600 0.129 0.000 1.021 56 S CA 1.510 59.779 58.200 0.115 0.000 0.974 56 S CB -0.980 62.272 63.200 0.087 0.000 0.800 56 S HN 0.374 nan 8.310 nan 0.000 0.484 57 T N 2.650 117.304 114.554 0.166 0.000 2.995 57 T HA 0.189 4.539 4.350 -0.000 0.000 0.269 57 T C 1.586 176.528 174.700 0.402 0.000 1.091 57 T CA 0.529 62.799 62.100 0.283 0.000 1.128 57 T CB -0.302 68.820 68.868 0.423 0.000 0.891 57 T HN 0.198 nan 8.240 nan 0.000 0.492 58 L N 1.578 123.001 121.223 0.333 0.000 2.201 58 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 58 L C 1.716 178.719 176.870 0.222 0.000 1.105 58 L CA 1.657 56.681 54.840 0.307 0.000 0.775 58 L CB -0.856 41.296 42.059 0.156 0.000 0.913 58 L HN 0.201 nan 8.230 nan 0.000 0.440 59 D N 0.141 120.624 120.400 0.138 0.000 2.190 59 D HA -0.249 4.391 4.640 -0.000 0.000 0.200 59 D C 1.900 178.197 176.300 -0.005 0.000 0.992 59 D CA 1.246 55.285 54.000 0.063 0.000 0.854 59 D CB 0.042 40.869 40.800 0.046 0.000 0.936 59 D HN 0.656 nan 8.370 nan 0.000 0.462 60 Q N -0.605 119.147 119.800 -0.080 0.000 2.515 60 Q HA -0.045 4.295 4.340 -0.000 0.000 0.214 60 Q C 0.442 176.124 176.000 -0.529 0.000 0.971 60 Q CA 0.456 56.083 55.803 -0.294 0.000 0.952 60 Q CB -0.166 28.347 28.738 -0.375 0.000 0.999 60 Q HN 0.211 nan 8.270 nan 0.000 0.524 61 F N 1.125 121.053 119.950 -0.037 0.000 2.735 61 F HA 0.242 4.769 4.527 -0.000 0.000 0.304 61 F C -0.104 175.654 175.800 -0.070 0.000 1.119 61 F CA -1.029 56.924 58.000 -0.078 0.000 1.280 61 F CB 0.119 39.017 39.000 -0.168 0.000 0.994 61 F HN 0.082 nan 8.300 nan 0.000 0.520 62 N N 1.351 120.079 118.700 0.047 0.000 2.641 62 N HA -0.159 4.581 4.740 -0.000 0.000 0.267 62 N C -3.001 172.526 175.510 0.028 0.000 1.087 62 N CA -0.075 52.990 53.050 0.025 0.000 0.731 62 N CB -0.437 38.059 38.487 0.013 0.000 0.886 62 N HN 0.023 nan 8.380 nan 0.000 0.547 63 P HA 0.194 nan 4.420 nan 0.000 0.275 63 P C -0.588 176.710 177.300 -0.003 0.000 1.227 63 P CA -0.047 63.061 63.100 0.014 0.000 0.781 63 P CB 1.020 32.739 31.700 0.031 0.000 0.906 64 T N 1.967 116.510 114.554 -0.019 0.000 2.749 64 T HA 0.297 4.647 4.350 -0.000 0.000 0.287 64 T C 0.031 174.713 174.700 -0.030 0.000 0.970 64 T CA -0.322 61.762 62.100 -0.027 0.000 0.980 64 T CB 0.187 69.030 68.868 -0.041 0.000 0.924 64 T HN 0.149 nan 8.240 nan 0.000 0.456 65 S N 4.199 119.883 115.700 -0.025 0.000 2.465 65 S HA 0.529 4.999 4.470 -0.000 0.000 0.279 65 S C -0.263 174.318 174.600 -0.033 0.000 1.201 65 S CA -0.670 57.513 58.200 -0.028 0.000 1.053 65 S CB 0.014 63.198 63.200 -0.026 0.000 0.953 65 S HN 0.458 nan 8.310 nan 0.000 0.488 66 L N 4.715 125.917 121.223 -0.035 0.000 2.409 66 L HA 0.541 4.881 4.340 -0.000 0.000 0.262 66 L C -2.396 174.461 176.870 -0.022 0.000 0.992 66 L CA -2.705 52.116 54.840 -0.032 0.000 0.817 66 L CB 2.429 44.458 42.059 -0.050 0.000 1.350 66 L HN 0.352 nan 8.230 nan 0.000 0.411 67 P HA 0.134 nan 4.420 nan 0.000 0.268 67 P C -0.557 176.751 177.300 0.012 0.000 1.204 67 P CA 0.214 63.299 63.100 -0.024 0.000 0.768 67 P CB 1.460 33.145 31.700 -0.026 0.000 0.842 68 G N 0.498 109.301 108.800 0.005 0.000 3.222 68 G HA2 0.724 4.684 3.960 -0.000 0.000 0.263 68 G HA3 0.724 4.684 3.960 -0.000 0.000 0.263 68 G C -0.404 174.503 174.900 0.012 0.000 1.312 68 G CA -0.662 44.471 45.100 0.056 0.000 0.934 68 G HN 0.757 nan 8.290 nan 0.000 0.577 69 G N -1.499 107.312 108.800 0.018 0.000 3.055 69 G HA2 0.237 4.197 3.960 -0.000 0.000 0.686 69 G HA3 0.237 4.197 3.960 -0.000 0.000 0.686 69 G C 0.724 175.648 174.900 0.040 0.000 1.087 69 G CA 0.619 45.724 45.100 0.009 0.000 0.779 69 G HN 1.606 nan 8.290 nan 0.000 0.599 70 S N 1.445 117.187 115.700 0.071 0.000 2.365 70 S HA -0.039 4.431 4.470 -0.000 0.000 0.221 70 S C 2.954 177.654 174.600 0.168 0.000 1.037 70 S CA 2.733 61.012 58.200 0.130 0.000 1.060 70 S CB -0.404 62.970 63.200 0.290 0.000 0.974 70 S HN 2.192 nan 8.310 nan 0.000 0.427 71 A N 1.030 123.987 122.820 0.228 0.000 1.933 71 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 71 A C 2.169 179.919 177.584 0.276 0.000 1.175 71 A CA 1.666 53.901 52.037 0.329 0.000 0.628 71 A CB -0.868 18.294 19.000 0.270 0.000 0.814 71 A HN 0.566 nan 8.150 nan 0.000 0.444 72 L N 0.329 121.636 121.223 0.139 0.000 2.083 72 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 72 L C 1.786 178.616 176.870 -0.067 0.000 1.083 72 L CA 2.009 56.737 54.840 -0.186 0.000 0.752 72 L CB -0.782 41.064 42.059 -0.356 0.000 0.899 72 L HN 0.319 nan 8.230 nan 0.000 0.433 73 N N -0.966 117.737 118.700 0.006 0.000 2.142 73 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 73 N C 1.909 177.422 175.510 0.006 0.000 1.023 73 N CA 1.478 54.539 53.050 0.018 0.000 0.852 73 N CB -0.313 38.193 38.487 0.032 0.000 0.998 73 N HN 0.310 nan 8.380 nan 0.000 0.424 74 S N 0.228 115.941 115.700 0.021 0.000 2.368 74 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 74 S C 2.177 176.757 174.600 -0.034 0.000 1.029 74 S CA 1.179 59.356 58.200 -0.038 0.000 0.988 74 S CB -0.241 62.908 63.200 -0.086 0.000 0.838 74 S HN 0.364 nan 8.310 nan 0.000 0.462 75 V N 0.442 120.373 119.914 0.030 0.000 2.809 75 V HA 0.066 4.186 4.120 -0.000 0.000 0.256 75 V C 1.984 178.086 176.094 0.013 0.000 1.080 75 V CA 1.054 63.379 62.300 0.041 0.000 1.102 75 V CB -0.732 31.161 31.823 0.118 0.000 0.705 75 V HN 0.268 nan 8.190 nan 0.000 0.475 76 R N 0.228 120.722 120.500 -0.010 0.000 2.115 76 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 76 R C 2.334 178.625 176.300 -0.015 0.000 1.111 76 R CA 1.379 57.473 56.100 -0.010 0.000 0.976 76 R CB -0.456 29.837 30.300 -0.013 0.000 0.870 76 R HN 0.512 nan 8.270 nan 0.000 0.445 77 V N 0.523 120.420 119.914 -0.028 0.000 2.295 77 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 77 V C 2.350 178.410 176.094 -0.058 0.000 1.049 77 V CA 1.555 63.824 62.300 -0.052 0.000 1.024 77 V CB -0.248 31.532 31.823 -0.071 0.000 0.648 77 V HN 0.100 nan 8.190 nan 0.000 0.447 78 V N -0.160 119.738 119.914 -0.025 0.000 2.295 78 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 78 V C 2.466 178.565 176.094 0.008 0.000 1.049 78 V CA 2.349 64.660 62.300 0.018 0.000 1.024 78 V CB -0.773 31.081 31.823 0.052 0.000 0.648 78 V HN 0.582 nan 8.190 nan 0.000 0.447 79 Q N 1.219 121.025 119.800 0.011 0.000 2.084 79 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 79 Q C 2.186 178.175 176.000 -0.018 0.000 0.978 79 Q CA 2.845 58.656 55.803 0.013 0.000 0.844 79 Q CB -0.573 28.179 28.738 0.024 0.000 0.898 79 Q HN 0.619 nan 8.270 nan 0.000 0.426 80 K N 0.473 120.850 120.400 -0.038 0.000 2.057 80 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 80 K C 2.075 178.608 176.600 -0.112 0.000 1.049 80 K CA 1.585 57.840 56.287 -0.054 0.000 0.931 80 K CB -1.063 31.414 32.500 -0.038 0.000 0.714 80 K HN 0.413 nan 8.250 nan 0.000 0.440 81 L N -0.280 120.819 121.223 -0.207 0.000 2.156 81 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 81 L C 2.629 179.332 176.870 -0.278 0.000 1.095 81 L CA 0.678 55.255 54.840 -0.439 0.000 0.770 81 L CB -0.170 41.246 42.059 -1.071 0.000 0.914 81 L HN 0.238 nan 8.230 nan 0.000 0.439 82 L N -1.135 120.043 121.223 -0.075 0.000 2.341 82 L HA -0.009 4.331 4.340 -0.000 0.000 0.214 82 L C 1.712 178.594 176.870 0.021 0.000 1.115 82 L CA 0.437 55.318 54.840 0.068 0.000 0.820 82 L CB -0.099 42.030 42.059 0.116 0.000 0.944 82 L HN 0.250 nan 8.230 nan 0.000 0.452 83 R N -1.062 119.431 120.500 -0.012 0.000 2.299 83 R HA -0.238 4.102 4.340 -0.000 0.000 0.153 83 R C 0.331 176.634 176.300 0.005 0.000 0.885 83 R CA 1.761 57.854 56.100 -0.012 0.000 1.883 83 R CB -1.484 28.802 30.300 -0.022 0.000 0.864 83 R HN 0.258 nan 8.270 nan 0.000 0.666 84 K N 2.913 123.320 120.400 0.013 0.000 2.484 84 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 84 K C -2.395 174.215 176.600 0.017 0.000 1.013 84 K CA -1.057 55.238 56.287 0.014 0.000 1.029 84 K CB 0.231 32.739 32.500 0.014 0.000 0.902 84 K HN -0.003 nan 8.250 nan 0.000 0.481 85 P HA -0.101 nan 4.420 nan 0.000 0.264 85 P C 0.499 177.810 177.300 0.018 0.000 1.183 85 P CA 0.866 63.979 63.100 0.022 0.000 0.763 85 P CB 0.519 32.233 31.700 0.022 0.000 0.807 86 G N 2.164 110.979 108.800 0.025 0.000 2.153 86 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 86 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 86 G C 1.251 176.158 174.900 0.012 0.000 0.994 86 G CA 0.459 45.567 45.100 0.013 0.000 0.698 86 G HN 0.458 nan 8.290 nan 0.000 0.521 87 S N -0.559 115.158 115.700 0.028 0.000 2.423 87 S HA 0.409 4.879 4.470 -0.000 0.000 0.231 87 S C 1.327 175.958 174.600 0.052 0.000 1.014 87 S CA 1.431 59.652 58.200 0.035 0.000 0.965 87 S CB 0.111 63.338 63.200 0.046 0.000 0.785 87 S HN 1.748 nan 8.310 nan 0.000 0.495 88 A N 0.343 123.205 122.820 0.070 0.000 2.386 88 A HA 0.742 5.062 4.320 -0.000 0.000 0.311 88 A C -0.055 177.623 177.584 0.157 0.000 1.068 88 A CA -0.405 51.697 52.037 0.108 0.000 0.743 88 A CB 1.491 20.550 19.000 0.098 0.000 1.258 88 A HN 0.296 nan 8.150 nan 0.000 0.429 89 G N -0.544 108.410 108.800 0.256 0.000 2.453 89 G HA2 0.607 4.567 3.960 -0.000 0.000 0.323 89 G HA3 0.607 4.567 3.960 -0.000 0.000 0.323 89 G C -1.552 173.608 174.900 0.434 0.000 1.198 89 G CA -0.491 44.871 45.100 0.438 0.000 0.959 89 G HN 1.027 nan 8.290 nan 0.000 0.482 90 Y N 0.535 120.990 120.300 0.259 0.000 2.513 90 Y HA 0.696 5.245 4.550 -0.000 0.000 0.340 90 Y C -0.926 174.850 175.900 -0.207 0.000 1.055 90 Y CA -1.113 56.926 58.100 -0.101 0.000 1.020 90 Y CB 2.116 40.508 38.460 -0.112 0.000 1.301 90 Y HN 0.503 nan 8.280 nan 0.000 0.453 91 M N 4.597 123.700 119.600 -0.828 0.000 2.457 91 M HA 0.738 5.218 4.480 -0.000 0.000 0.300 91 M C -0.527 175.024 176.300 -1.248 0.000 1.141 91 M CA -0.671 54.208 55.300 -0.701 0.000 0.901 91 M CB 2.582 35.073 32.600 -0.182 0.000 1.687 91 M HN 0.906 nan 8.290 nan 0.000 0.449 92 G N 1.055 109.240 108.800 -1.025 0.000 2.548 92 G HA2 0.789 4.748 3.960 -0.000 0.000 0.301 92 G HA3 0.789 4.748 3.960 -0.000 0.000 0.301 92 G C -2.370 172.244 174.900 -0.477 0.000 1.349 92 G CA -0.552 43.861 45.100 -1.145 0.000 0.792 92 G HN 0.840 nan 8.290 nan 0.000 0.481 93 A N -0.387 122.321 122.820 -0.188 0.000 2.337 93 A HA 0.890 5.210 4.320 -0.000 0.000 0.329 93 A C -0.087 177.534 177.584 0.063 0.000 1.146 93 A CA -0.603 51.484 52.037 0.083 0.000 0.800 93 A CB 0.744 19.856 19.000 0.187 0.000 1.220 93 A HN 1.642 nan 8.150 nan 0.000 0.472 94 I N -0.920 119.686 120.570 0.060 0.000 3.206 94 I HA 0.936 5.106 4.170 -0.000 0.000 0.313 94 I C 0.374 176.487 176.117 -0.005 0.000 1.103 94 I CA -1.209 60.075 61.300 -0.026 0.000 0.985 94 I CB 1.916 39.837 38.000 -0.132 0.000 1.240 94 I HN 0.642 nan 8.210 nan 0.000 0.464 95 G N 0.604 109.385 108.800 -0.031 0.000 2.522 95 G HA2 0.352 4.312 3.960 -0.000 0.000 0.304 95 G HA3 0.352 4.312 3.960 -0.000 0.000 0.304 95 G C -0.583 174.311 174.900 -0.011 0.000 1.210 95 G CA -0.288 44.806 45.100 -0.011 0.000 0.960 95 G HN 0.855 nan 8.290 nan 0.000 0.497 96 D N -0.302 120.098 120.400 0.001 0.000 3.072 96 D HA 0.127 4.767 4.640 -0.000 0.000 0.250 96 D C -0.497 175.800 176.300 -0.004 0.000 1.304 96 D CA -0.514 53.488 54.000 0.003 0.000 0.861 96 D CB 0.011 40.818 40.800 0.013 0.000 1.062 96 D HN 0.307 nan 8.370 nan 0.000 0.481 97 D N -1.839 118.551 120.400 -0.016 0.000 2.467 97 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 97 D C -2.073 174.211 176.300 -0.028 0.000 1.038 97 D CA -2.184 51.804 54.000 -0.019 0.000 1.038 97 D CB 0.799 41.586 40.800 -0.022 0.000 1.278 97 D HN -0.255 nan 8.370 nan 0.000 0.564 98 P HA -0.124 nan 4.420 nan 0.000 0.215 98 P C 1.433 178.707 177.300 -0.043 0.000 1.153 98 P CA 1.571 64.655 63.100 -0.027 0.000 0.853 98 P CB 0.180 31.869 31.700 -0.019 0.000 0.788 99 R N -0.339 120.130 120.500 -0.051 0.000 2.105 99 R HA -0.105 4.235 4.340 -0.000 0.000 0.239 99 R C 2.292 178.530 176.300 -0.103 0.000 1.135 99 R CA 1.877 57.933 56.100 -0.072 0.000 0.967 99 R CB -1.128 29.125 30.300 -0.078 0.000 0.861 99 R HN 0.174 nan 8.270 nan 0.000 0.442 100 G N -0.089 108.649 108.800 -0.103 0.000 2.402 100 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.216 100 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.216 100 G C 1.316 176.124 174.900 -0.153 0.000 1.162 100 G CA 0.640 45.650 45.100 -0.150 0.000 0.777 100 G HN 0.337 nan 8.290 nan 0.000 0.539 101 Q N 0.145 119.893 119.800 -0.087 0.000 2.119 101 Q HA -0.008 4.332 4.340 -0.000 0.000 0.201 101 Q C 2.583 178.546 176.000 -0.063 0.000 0.972 101 Q CA 1.200 56.969 55.803 -0.057 0.000 0.847 101 Q CB -0.338 28.383 28.738 -0.027 0.000 0.903 101 Q HN 0.272 nan 8.270 nan 0.000 0.433 102 V N 0.366 120.238 119.914 -0.070 0.000 2.343 102 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 102 V C 2.140 178.183 176.094 -0.084 0.000 1.051 102 V CA 1.542 63.805 62.300 -0.062 0.000 1.036 102 V CB -0.614 31.175 31.823 -0.056 0.000 0.654 102 V HN 0.390 nan 8.190 nan 0.000 0.451 103 L N 0.437 121.574 121.223 -0.142 0.000 2.056 103 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 103 L C 2.433 179.185 176.870 -0.197 0.000 1.078 103 L CA 2.198 56.920 54.840 -0.195 0.000 0.749 103 L CB -0.784 41.089 42.059 -0.309 0.000 0.901 103 L HN 0.272 nan 8.230 nan 0.000 0.433 104 K N -0.448 119.814 120.400 -0.230 0.000 2.063 104 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 104 K C 2.053 178.690 176.600 0.061 0.000 1.048 104 K CA 1.873 58.129 56.287 -0.051 0.000 0.928 104 K CB -0.134 32.368 32.500 0.004 0.000 0.713 104 K HN 0.494 nan 8.250 nan 0.000 0.442 105 E N 1.267 121.475 120.200 0.013 0.000 2.077 105 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 105 E C 1.937 178.555 176.600 0.029 0.000 0.989 105 E CA 1.253 57.670 56.400 0.028 0.000 0.800 105 E CB -0.683 29.022 29.700 0.009 0.000 0.746 105 E HN 0.192 nan 8.360 nan 0.000 0.452 106 L N 0.130 121.357 121.223 0.008 0.000 2.083 106 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 106 L C 2.697 179.586 176.870 0.032 0.000 1.083 106 L CA 1.563 56.409 54.840 0.009 0.000 0.752 106 L CB -1.270 40.781 42.059 -0.013 0.000 0.899 106 L HN 0.543 nan 8.230 nan 0.000 0.433 107 C N -0.472 118.863 119.300 0.059 0.000 2.486 107 C HA -0.097 4.363 4.460 -0.000 0.000 0.279 107 C C 2.429 177.478 174.990 0.098 0.000 1.302 107 C CA 0.020 59.095 59.018 0.095 0.000 1.720 107 C CB -0.520 27.340 27.740 0.201 0.000 2.030 107 C HN 0.524 nan 8.230 nan 0.000 0.490 108 D N 1.284 121.751 120.400 0.111 0.000 2.144 108 D HA -0.148 4.491 4.640 -0.000 0.000 0.199 108 D C 2.123 178.463 176.300 0.068 0.000 0.984 108 D CA 1.286 55.344 54.000 0.096 0.000 0.834 108 D CB -0.470 40.389 40.800 0.097 0.000 0.955 108 D HN 0.690 nan 8.370 nan 0.000 0.465 109 K N 1.009 121.443 120.400 0.056 0.000 2.439 109 K HA -0.039 4.281 4.320 -0.000 0.000 0.197 109 K C 1.350 177.978 176.600 0.046 0.000 1.041 109 K CA 0.905 57.219 56.287 0.046 0.000 0.970 109 K CB 0.045 32.567 32.500 0.037 0.000 0.773 109 K HN 0.043 nan 8.250 nan 0.000 0.479 110 E N 0.150 120.379 120.200 0.048 0.000 2.474 110 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 110 E C 0.580 177.205 176.600 0.042 0.000 1.041 110 E CA 0.348 56.775 56.400 0.044 0.000 0.874 110 E CB 0.439 30.162 29.700 0.038 0.000 0.914 110 E HN 0.646 nan 8.360 nan 0.000 0.498 111 G N 1.730 110.559 108.800 0.049 0.000 2.157 111 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.239 111 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.239 111 G C 0.039 174.971 174.900 0.055 0.000 0.982 111 G CA 0.097 45.225 45.100 0.047 0.000 0.650 111 G HN 0.204 nan 8.290 nan 0.000 0.527 112 L N 1.605 122.866 121.223 0.063 0.000 2.416 112 L HA 0.688 5.028 4.340 -0.000 0.000 0.272 112 L C 0.849 177.781 176.870 0.103 0.000 1.161 112 L CA 0.431 55.316 54.840 0.075 0.000 0.845 112 L CB 0.793 42.889 42.059 0.062 0.000 1.119 112 L HN 0.788 nan 8.230 nan 0.000 0.464 113 A N 3.623 126.520 122.820 0.128 0.000 2.309 113 A HA 0.647 4.966 4.320 -0.000 0.000 0.290 113 A C -0.035 177.742 177.584 0.321 0.000 1.206 113 A CA 0.243 52.388 52.037 0.181 0.000 0.850 113 A CB -0.137 18.912 19.000 0.080 0.000 1.118 113 A HN 0.831 nan 8.150 nan 0.000 0.523 114 T N -0.064 114.648 114.554 0.264 0.000 2.883 114 T HA 0.732 5.082 4.350 -0.000 0.000 0.301 114 T C -0.703 173.905 174.700 -0.153 0.000 1.158 114 T CA -0.866 61.241 62.100 0.011 0.000 1.007 114 T CB 1.601 70.204 68.868 -0.441 0.000 1.186 114 T HN 0.725 nan 8.240 nan 0.000 0.499 115 R N 1.436 121.645 120.500 -0.486 0.000 2.575 115 R HA 0.485 4.825 4.340 -0.000 0.000 0.292 115 R C -1.776 174.299 176.300 -0.375 0.000 1.246 115 R CA -0.714 55.153 56.100 -0.389 0.000 0.973 115 R CB 0.601 30.573 30.300 -0.547 0.000 1.187 115 R HN 0.660 nan 8.270 nan 0.000 0.478 116 F N 4.687 124.640 119.950 0.004 0.000 2.405 116 F HA 0.394 4.921 4.527 -0.000 0.000 0.355 116 F C 0.742 176.551 175.800 0.016 0.000 1.121 116 F CA -0.733 57.267 58.000 -0.001 0.000 1.112 116 F CB 1.437 40.447 39.000 0.017 0.000 1.126 116 F HN 0.170 nan 8.300 nan 0.000 0.481 117 M N 4.320 124.043 119.600 0.205 0.000 2.146 117 M HA 0.253 4.733 4.480 -0.000 0.000 0.352 117 M C -0.605 175.785 176.300 0.150 0.000 1.343 117 M CA -0.539 54.865 55.300 0.174 0.000 1.115 117 M CB 0.908 33.647 32.600 0.232 0.000 1.657 117 M HN 0.221 nan 8.290 nan 0.000 0.471 118 V N 3.334 123.315 119.914 0.112 0.000 2.530 118 V HA 0.390 4.510 4.120 -0.000 0.000 0.282 118 V C 0.389 176.521 176.094 0.064 0.000 1.048 118 V CA -0.499 61.847 62.300 0.078 0.000 0.997 118 V CB 1.160 33.020 31.823 0.062 0.000 0.987 118 V HN 0.927 nan 8.190 nan 0.000 0.477 119 A N 8.222 131.073 122.820 0.051 0.000 2.394 119 A HA 0.673 4.993 4.320 -0.000 0.000 0.333 119 A C -2.266 175.336 177.584 0.030 0.000 1.397 119 A CA -1.697 50.365 52.037 0.042 0.000 0.884 119 A CB 0.342 19.367 19.000 0.043 0.000 1.147 119 A HN 0.638 nan 8.150 nan 0.000 0.505 120 P HA 0.134 nan 4.420 nan 0.000 0.265 120 P C 1.023 178.335 177.300 0.020 0.000 1.193 120 P CA 1.748 64.862 63.100 0.022 0.000 0.765 120 P CB 0.948 32.661 31.700 0.021 0.000 0.823 121 G N 1.806 110.616 108.800 0.018 0.000 2.205 121 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.261 121 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.261 121 G C 0.076 174.989 174.900 0.022 0.000 0.980 121 G CA -0.011 45.100 45.100 0.019 0.000 0.632 121 G HN 0.638 nan 8.290 nan 0.000 0.533 122 Q N 0.324 120.137 119.800 0.022 0.000 2.248 122 Q HA 0.623 4.963 4.340 -0.000 0.000 0.263 122 Q C 0.108 176.119 176.000 0.018 0.000 1.007 122 Q CA -0.079 55.739 55.803 0.025 0.000 0.877 122 Q CB 1.770 30.521 28.738 0.022 0.000 1.315 122 Q HN 0.546 nan 8.270 nan 0.000 0.454 123 S N -0.070 115.647 115.700 0.028 0.000 2.525 123 S HA 0.372 4.842 4.470 -0.000 0.000 0.290 123 S C -0.036 174.556 174.600 -0.013 0.000 1.152 123 S CA -0.801 57.406 58.200 0.011 0.000 1.072 123 S CB 1.389 64.607 63.200 0.030 0.000 1.027 123 S HN 0.454 nan 8.310 nan 0.000 0.500 124 T N 2.916 117.443 114.554 -0.046 0.000 2.946 124 T HA 0.349 4.698 4.350 -0.000 0.000 0.311 124 T C 1.107 175.752 174.700 -0.091 0.000 1.063 124 T CA 0.440 62.493 62.100 -0.078 0.000 1.139 124 T CB 0.008 68.809 68.868 -0.111 0.000 0.994 124 T HN 0.945 nan 8.240 nan 0.000 0.547 125 G N 0.878 109.619 108.800 -0.099 0.000 2.391 125 G HA2 0.385 4.345 3.960 -0.000 0.000 0.234 125 G HA3 0.385 4.345 3.960 -0.000 0.000 0.234 125 G C -0.615 174.201 174.900 -0.139 0.000 1.284 125 G CA -0.299 44.733 45.100 -0.113 0.000 0.873 125 G HN 0.711 nan 8.290 nan 0.000 0.549 126 V N 2.390 122.197 119.914 -0.179 0.000 2.932 126 V HA 0.609 4.729 4.120 -0.000 0.000 0.307 126 V C -0.899 175.098 176.094 -0.162 0.000 1.147 126 V CA -0.909 61.248 62.300 -0.238 0.000 0.951 126 V CB 1.785 33.322 31.823 -0.476 0.000 1.031 126 V HN 1.110 nan 8.190 nan 0.000 0.426 127 C N 6.516 125.798 119.300 -0.029 0.000 2.397 127 C HA 0.876 5.336 4.460 -0.000 0.000 0.325 127 C C 0.453 175.549 174.990 0.176 0.000 1.201 127 C CA -0.014 59.064 59.018 0.101 0.000 1.377 127 C CB 0.331 28.115 27.740 0.073 0.000 2.038 127 C HN 1.389 nan 8.230 nan 0.000 0.457 128 A N 5.485 128.476 122.820 0.284 0.000 2.310 128 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 128 A C -0.261 177.383 177.584 0.100 0.000 1.269 128 A CA -0.162 51.986 52.037 0.186 0.000 0.909 128 A CB 0.252 19.326 19.000 0.123 0.000 1.144 128 A HN 0.996 nan 8.150 nan 0.000 0.540 129 V N 5.568 125.519 119.914 0.062 0.000 2.304 129 V HA 0.177 4.296 4.120 -0.000 0.000 0.262 129 V C -0.079 176.003 176.094 -0.020 0.000 1.061 129 V CA 0.005 62.334 62.300 0.048 0.000 0.872 129 V CB 0.099 31.941 31.823 0.031 0.000 1.077 129 V HN 0.711 nan 8.190 nan 0.000 0.480 130 L N 6.116 127.326 121.223 -0.023 0.000 2.260 130 L HA 0.534 4.874 4.340 -0.000 0.000 0.289 130 L C -0.174 176.652 176.870 -0.074 0.000 1.057 130 L CA -0.194 54.592 54.840 -0.091 0.000 0.811 130 L CB 0.962 42.982 42.059 -0.065 0.000 1.184 130 L HN 0.430 nan 8.230 nan 0.000 0.429 131 I N 4.509 125.013 120.570 -0.110 0.000 2.304 131 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 131 I C -0.032 176.031 176.117 -0.091 0.000 1.018 131 I CA 0.000 61.252 61.300 -0.080 0.000 1.260 131 I CB 0.776 38.728 38.000 -0.080 0.000 1.390 131 I HN 0.654 nan 8.210 nan 0.000 0.475 132 N N 6.655 125.322 118.700 -0.055 0.000 2.455 132 N HA 0.102 4.842 4.740 -0.000 0.000 0.285 132 N C -0.732 174.765 175.510 -0.022 0.000 1.080 132 N CA -0.316 52.705 53.050 -0.049 0.000 0.932 132 N CB 1.756 40.214 38.487 -0.048 0.000 1.610 132 N HN 0.635 nan 8.380 nan 0.000 0.493 133 E N 2.089 122.277 120.200 -0.019 0.000 2.297 133 E HA -0.308 4.042 4.350 -0.000 0.000 0.228 133 E C 0.267 176.865 176.600 -0.004 0.000 1.213 133 E CA 0.969 57.364 56.400 -0.008 0.000 0.712 133 E CB -1.615 28.083 29.700 -0.002 0.000 1.202 133 E HN 0.961 nan 8.360 nan 0.000 0.376 134 K N -1.316 119.080 120.400 -0.007 0.000 3.349 134 K HA -0.287 4.033 4.320 -0.000 0.000 0.310 134 K C -0.100 176.503 176.600 0.005 0.000 1.267 134 K CA 2.328 58.614 56.287 -0.002 0.000 0.920 134 K CB -2.055 30.446 32.500 0.002 0.000 1.240 134 K HN 0.568 nan 8.250 nan 0.000 0.453 135 E N -1.102 119.101 120.200 0.004 0.000 2.299 135 E HA 0.700 5.050 4.350 -0.000 0.000 0.265 135 E C -0.764 175.845 176.600 0.016 0.000 0.911 135 E CA -1.502 54.907 56.400 0.015 0.000 0.789 135 E CB 1.495 31.207 29.700 0.019 0.000 1.246 135 E HN 0.283 nan 8.360 nan 0.000 0.427 136 R N 0.572 121.093 120.500 0.035 0.000 2.295 136 R HA 0.398 4.738 4.340 -0.000 0.000 0.324 136 R C -1.032 175.302 176.300 0.056 0.000 0.968 136 R CA -0.281 55.848 56.100 0.048 0.000 0.837 136 R CB 1.599 31.954 30.300 0.091 0.000 1.133 136 R HN 0.295 nan 8.270 nan 0.000 0.450 137 T N 4.529 119.111 114.554 0.047 0.000 2.791 137 T HA 0.476 4.826 4.350 -0.000 0.000 0.288 137 T C -0.734 174.005 174.700 0.064 0.000 0.999 137 T CA -0.605 61.528 62.100 0.055 0.000 0.952 137 T CB 0.747 69.646 68.868 0.051 0.000 0.938 137 T HN 0.049 nan 8.240 nan 0.000 0.444 138 L N 2.587 123.854 121.223 0.074 0.000 2.317 138 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 138 L C -0.072 176.843 176.870 0.075 0.000 1.024 138 L CA -0.536 54.355 54.840 0.084 0.000 0.810 138 L CB 1.530 43.644 42.059 0.092 0.000 1.240 138 L HN 0.758 nan 8.230 nan 0.000 0.427 139 C N 2.233 121.587 119.300 0.090 0.000 2.407 139 C HA 0.719 5.178 4.460 -0.000 0.000 0.328 139 C C -0.112 174.994 174.990 0.194 0.000 1.137 139 C CA -0.207 58.867 59.018 0.093 0.000 1.390 139 C CB 0.200 27.945 27.740 0.009 0.000 1.989 139 C HN 0.903 nan 8.230 nan 0.000 0.432 140 T N 3.884 118.529 114.554 0.151 0.000 2.824 140 T HA 0.394 4.743 4.350 -0.000 0.000 0.280 140 T C -1.049 173.755 174.700 0.172 0.000 0.995 140 T CA -0.001 62.182 62.100 0.138 0.000 1.009 140 T CB 0.906 69.784 68.868 0.016 0.000 0.955 140 T HN 0.735 nan 8.240 nan 0.000 0.452 141 H N 2.681 121.765 119.070 0.022 0.000 2.762 141 H HA 0.433 4.989 4.556 -0.000 0.000 0.310 141 H C 0.648 175.928 175.328 -0.079 0.000 1.004 141 H CA -0.683 55.357 56.048 -0.012 0.000 1.267 141 H CB 0.266 30.009 29.762 -0.031 0.000 1.437 141 H HN 0.500 nan 8.280 nan 0.000 0.498 142 L N 3.905 124.906 121.223 -0.371 0.000 2.083 142 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 142 L C 2.004 178.708 176.870 -0.276 0.000 1.083 142 L CA 1.074 55.754 54.840 -0.267 0.000 0.752 142 L CB -0.764 41.185 42.059 -0.183 0.000 0.899 142 L HN 0.984 nan 8.230 nan 0.000 0.433 143 G N 0.101 108.625 108.800 -0.461 0.000 2.651 143 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.315 143 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.315 143 G C 1.041 175.887 174.900 -0.091 0.000 1.258 143 G CA 0.894 45.869 45.100 -0.207 0.000 1.002 143 G HN 0.459 nan 8.290 nan 0.000 0.551 144 A N -1.258 121.538 122.820 -0.040 0.000 2.076 144 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 144 A C 2.684 180.273 177.584 0.008 0.000 1.160 144 A CA 2.699 54.733 52.037 -0.006 0.000 0.653 144 A CB -1.007 17.994 19.000 0.002 0.000 0.801 144 A HN 1.357 nan 8.150 nan 0.000 0.455 145 C N -1.091 118.198 119.300 -0.018 0.000 2.403 145 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 145 C C 2.855 177.873 174.990 0.046 0.000 1.248 145 C CA 0.782 59.803 59.018 0.004 0.000 1.762 145 C CB -1.677 26.044 27.740 -0.030 0.000 2.014 145 C HN 0.722 nan 8.230 nan 0.000 0.486 146 G N 0.229 109.038 108.800 0.015 0.000 2.535 146 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 146 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 146 G C 1.603 176.532 174.900 0.048 0.000 1.122 146 G CA 1.229 46.346 45.100 0.029 0.000 0.769 146 G HN 0.692 nan 8.290 nan 0.000 0.549 147 S N -0.604 115.136 115.700 0.066 0.000 2.548 147 S HA 0.242 4.712 4.470 -0.000 0.000 0.215 147 S C 0.707 175.366 174.600 0.099 0.000 0.976 147 S CA -0.755 57.483 58.200 0.063 0.000 0.908 147 S CB -0.207 63.026 63.200 0.055 0.000 0.781 147 S HN 0.108 nan 8.310 nan 0.000 0.519 148 F N 4.447 124.379 119.950 -0.029 0.000 2.602 148 F HA 0.355 4.882 4.527 -0.000 0.000 0.385 148 F C 0.314 176.079 175.800 -0.058 0.000 1.063 148 F CA -0.443 57.533 58.000 -0.041 0.000 1.233 148 F CB 0.258 39.226 39.000 -0.054 0.000 1.067 148 F HN 0.032 nan 8.300 nan 0.000 0.564 149 R N 7.020 127.103 120.500 -0.694 0.000 2.500 149 R HA 0.253 4.593 4.340 -0.000 0.000 0.299 149 R C -1.420 174.360 176.300 -0.868 0.000 1.038 149 R CA -1.309 54.382 56.100 -0.681 0.000 0.903 149 R CB 1.272 31.396 30.300 -0.293 0.000 1.177 149 R HN 0.694 nan 8.270 nan 0.000 0.455 150 L N 5.975 126.587 121.223 -1.019 0.000 2.667 150 L HA 0.037 4.376 4.340 -0.000 0.000 0.278 150 L C -1.738 174.981 176.870 -0.252 0.000 1.217 150 L CA -0.269 54.185 54.840 -0.642 0.000 0.935 150 L CB 0.030 41.744 42.059 -0.575 0.000 1.193 150 L HN 0.434 nan 8.230 nan 0.000 0.493 151 P HA 0.009 nan 4.420 nan 0.000 0.272 151 P C 0.161 177.543 177.300 0.137 0.000 1.223 151 P CA -0.324 62.795 63.100 0.032 0.000 0.784 151 P CB 0.660 32.396 31.700 0.061 0.000 0.923 152 E N 1.338 121.587 120.200 0.082 0.000 2.209 152 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 152 E C 0.551 177.178 176.600 0.045 0.000 0.993 152 E CA 1.329 57.778 56.400 0.082 0.000 0.819 152 E CB -0.015 29.699 29.700 0.023 0.000 0.745 152 E HN 0.459 nan 8.360 nan 0.000 0.477 153 D N 0.077 120.500 120.400 0.038 0.000 2.395 153 D HA -0.093 4.547 4.640 -0.000 0.000 0.226 153 D C 1.551 177.833 176.300 -0.031 0.000 1.146 153 D CA -0.351 53.628 54.000 -0.035 0.000 0.830 153 D CB -1.098 39.703 40.800 0.002 0.000 0.958 153 D HN 0.474 nan 8.370 nan 0.000 0.501 154 W N 1.909 123.155 121.300 -0.090 0.000 2.374 154 W HA -0.195 4.465 4.660 -0.000 0.000 0.288 154 W C 0.950 177.350 176.519 -0.199 0.000 1.218 154 W CA 1.645 58.924 57.345 -0.110 0.000 1.245 154 W CB -1.479 27.920 29.460 -0.101 0.000 1.126 154 W HN 0.060 nan 8.180 nan 0.000 0.545 155 T N -1.306 112.496 114.554 -1.254 0.000 2.915 155 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 155 T C 1.580 175.975 174.700 -0.508 0.000 1.071 155 T CA 1.971 63.309 62.100 -1.270 0.000 1.132 155 T CB -0.863 67.105 68.868 -1.501 0.000 0.878 155 T HN 0.084 nan 8.240 nan 0.000 0.479 156 T N 1.223 115.592 114.554 -0.308 0.000 2.851 156 T HA 0.131 4.481 4.350 -0.000 0.000 0.262 156 T C 1.293 175.955 174.700 -0.063 0.000 1.043 156 T CA 0.797 62.814 62.100 -0.138 0.000 1.140 156 T CB -0.544 68.278 68.868 -0.076 0.000 0.872 156 T HN 0.423 nan 8.240 nan 0.000 0.446 157 F N 2.490 122.355 119.950 -0.142 0.000 2.161 157 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 157 F C 2.154 177.899 175.800 -0.091 0.000 1.089 157 F CA 1.096 59.055 58.000 -0.068 0.000 1.282 157 F CB -0.288 38.708 39.000 -0.006 0.000 1.010 157 F HN 0.132 nan 8.300 nan 0.000 0.485 158 A N -0.222 122.500 122.820 -0.163 0.000 2.278 158 A HA 0.225 4.544 4.320 -0.000 0.000 0.212 158 A C 1.083 178.597 177.584 -0.116 0.000 1.213 158 A CA 0.153 52.062 52.037 -0.213 0.000 0.840 158 A CB -1.037 17.757 19.000 -0.342 0.000 0.866 158 A HN 0.209 nan 8.150 nan 0.000 0.489 159 S N -0.293 115.331 115.700 -0.127 0.000 2.642 159 S HA 0.317 4.786 4.470 -0.000 0.000 0.308 159 S C 1.573 176.146 174.600 -0.045 0.000 1.255 159 S CA 1.112 59.273 58.200 -0.065 0.000 1.057 159 S CB 0.293 63.450 63.200 -0.073 0.000 0.785 159 S HN 1.584 nan 8.310 nan 0.000 0.500 160 G N 1.917 110.714 108.800 -0.005 0.000 2.317 160 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.227 160 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.227 160 G C 0.224 175.114 174.900 -0.018 0.000 1.042 160 G CA -0.041 45.052 45.100 -0.012 0.000 0.623 160 G HN 1.361 nan 8.290 nan 0.000 0.509 161 A N 0.335 123.133 122.820 -0.036 0.000 2.450 161 A HA 0.729 5.049 4.320 -0.000 0.000 0.255 161 A C 1.200 178.647 177.584 -0.229 0.000 1.096 161 A CA 0.488 52.453 52.037 -0.120 0.000 0.778 161 A CB 0.324 19.250 19.000 -0.123 0.000 1.031 161 A HN 0.803 nan 8.150 nan 0.000 0.494 162 L N 2.540 123.641 121.223 -0.203 0.000 2.664 162 L HA 0.288 4.628 4.340 -0.000 0.000 0.233 162 L C -0.224 176.542 176.870 -0.173 0.000 1.113 162 L CA 0.317 55.093 54.840 -0.107 0.000 0.896 162 L CB 0.011 42.081 42.059 0.018 0.000 1.163 162 L HN 0.604 nan 8.230 nan 0.000 0.497 163 I N 0.064 120.451 120.570 -0.306 0.000 2.355 163 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 163 I C -0.928 175.056 176.117 -0.221 0.000 0.999 163 I CA -0.353 60.882 61.300 -0.109 0.000 1.163 163 I CB 1.190 39.193 38.000 0.004 0.000 1.316 163 I HN -0.162 nan 8.210 nan 0.000 0.454 164 F N 6.039 126.185 119.950 0.326 0.000 2.480 164 F HA 0.536 5.062 4.527 -0.000 0.000 0.329 164 F C -0.467 175.459 175.800 0.209 0.000 1.091 164 F CA -0.833 57.411 58.000 0.406 0.000 0.972 164 F CB 1.544 40.914 39.000 0.618 0.000 1.150 164 F HN 0.279 nan 8.300 nan 0.000 0.467 165 Y N 1.668 122.057 120.300 0.149 0.000 2.492 165 Y HA 0.792 5.342 4.550 -0.000 0.000 0.346 165 Y C -1.468 174.385 175.900 -0.079 0.000 0.997 165 Y CA -1.379 56.671 58.100 -0.083 0.000 1.025 165 Y CB 1.740 40.188 38.460 -0.021 0.000 1.263 165 Y HN 0.805 nan 8.280 nan 0.000 0.454 166 A N 2.952 125.285 122.820 -0.812 0.000 2.520 166 A HA 0.693 5.012 4.320 -0.000 0.000 0.298 166 A C -0.844 176.271 177.584 -0.782 0.000 1.051 166 A CA -0.374 51.298 52.037 -0.608 0.000 0.690 166 A CB 0.987 19.936 19.000 -0.084 0.000 1.281 166 A HN 0.869 nan 8.150 nan 0.000 0.402 167 T N -0.519 113.711 114.554 -0.540 0.000 2.928 167 T HA 0.592 4.941 4.350 -0.000 0.000 0.284 167 T C 1.194 175.754 174.700 -0.233 0.000 1.008 167 T CA 0.063 61.949 62.100 -0.358 0.000 1.057 167 T CB 1.631 70.410 68.868 -0.148 0.000 1.018 167 T HN 1.544 nan 8.240 nan 0.000 0.493 168 A N 0.511 123.169 122.820 -0.271 0.000 2.067 168 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 168 A C 1.842 179.302 177.584 -0.207 0.000 1.158 168 A CA 0.793 52.677 52.037 -0.255 0.000 0.661 168 A CB -1.329 17.488 19.000 -0.305 0.000 0.801 168 A HN 0.969 nan 8.150 nan 0.000 0.452 169 Y N 0.715 120.912 120.300 -0.171 0.000 2.315 169 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 169 Y C 2.951 178.786 175.900 -0.108 0.000 1.154 169 Y CA 1.244 59.280 58.100 -0.107 0.000 1.229 169 Y CB -0.349 38.082 38.460 -0.049 0.000 0.980 169 Y HN 0.546 nan 8.280 nan 0.000 0.540 170 T N -2.006 112.556 114.554 0.012 0.000 3.072 170 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 170 T C 1.474 176.099 174.700 -0.125 0.000 1.127 170 T CA 0.603 62.683 62.100 -0.034 0.000 1.107 170 T CB -0.573 68.265 68.868 -0.051 0.000 0.910 170 T HN 0.353 nan 8.240 nan 0.000 0.513 171 L N 1.991 123.049 121.223 -0.274 0.000 2.376 171 L HA 0.020 4.360 4.340 -0.000 0.000 0.219 171 L C 3.022 179.533 176.870 -0.599 0.000 1.133 171 L CA 1.327 55.819 54.840 -0.580 0.000 0.816 171 L CB -0.996 40.443 42.059 -1.033 0.000 0.933 171 L HN 0.511 nan 8.230 nan 0.000 0.449 172 T N -3.487 110.932 114.554 -0.226 0.000 3.072 172 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 172 T C 1.691 176.424 174.700 0.055 0.000 1.127 172 T CA 0.753 62.894 62.100 0.068 0.000 1.107 172 T CB 0.136 69.127 68.868 0.205 0.000 0.910 172 T HN 0.297 nan 8.240 nan 0.000 0.513 173 A N 0.691 123.510 122.820 -0.001 0.000 1.884 173 A HA 0.516 4.836 4.320 -0.000 0.000 0.212 173 A C 1.284 178.860 177.584 -0.013 0.000 1.265 173 A CA 0.914 52.962 52.037 0.018 0.000 0.626 173 A CB -0.010 19.023 19.000 0.055 0.000 0.943 173 A HN 0.569 nan 8.150 nan 0.000 0.466 174 T N -1.684 112.831 114.554 -0.064 0.000 3.393 174 T HA 0.374 4.724 4.350 -0.000 0.000 0.359 174 T C -2.799 171.817 174.700 -0.140 0.000 1.380 174 T CA -0.379 61.671 62.100 -0.084 0.000 1.132 174 T CB 1.862 70.678 68.868 -0.086 0.000 1.284 174 T HN -0.017 nan 8.240 nan 0.000 0.477 175 P HA 0.029 nan 4.420 nan 0.000 0.230 175 P C 0.949 178.155 177.300 -0.158 0.000 1.158 175 P CA 0.585 63.582 63.100 -0.172 0.000 0.769 175 P CB 0.198 31.824 31.700 -0.123 0.000 0.807 176 K N 0.129 120.442 120.400 -0.146 0.000 2.211 176 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 176 K C 1.900 178.372 176.600 -0.212 0.000 1.050 176 K CA 1.196 57.385 56.287 -0.163 0.000 0.945 176 K CB -0.348 32.068 32.500 -0.140 0.000 0.732 176 K HN 0.277 nan 8.250 nan 0.000 0.451 177 N N 0.739 119.303 118.700 -0.226 0.000 2.062 177 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 177 N C 1.923 177.283 175.510 -0.250 0.000 1.042 177 N CA 1.017 53.902 53.050 -0.275 0.000 0.845 177 N CB -0.138 38.209 38.487 -0.234 0.000 1.024 177 N HN 0.131 nan 8.380 nan 0.000 0.424 178 A N 1.146 123.858 122.820 -0.179 0.000 1.933 178 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 178 A C 2.133 179.534 177.584 -0.306 0.000 1.175 178 A CA 1.034 52.986 52.037 -0.142 0.000 0.628 178 A CB -0.698 18.274 19.000 -0.047 0.000 0.814 178 A HN 0.192 nan 8.150 nan 0.000 0.444 179 L N -1.047 119.995 121.223 -0.301 0.000 2.141 179 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 179 L C 2.583 179.234 176.870 -0.365 0.000 1.094 179 L CA 1.619 56.229 54.840 -0.384 0.000 0.763 179 L CB -0.328 41.548 42.059 -0.305 0.000 0.908 179 L HN 0.561 nan 8.230 nan 0.000 0.437 180 E N -0.186 119.842 120.200 -0.286 0.000 2.072 180 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 180 E C 2.223 178.725 176.600 -0.163 0.000 0.982 180 E CA 1.008 57.290 56.400 -0.197 0.000 0.803 180 E CB 0.233 29.808 29.700 -0.209 0.000 0.755 180 E HN 0.230 nan 8.360 nan 0.000 0.453 181 V N 1.156 120.861 119.914 -0.349 0.000 2.307 181 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 181 V C 2.419 178.384 176.094 -0.216 0.000 1.045 181 V CA 1.837 63.967 62.300 -0.284 0.000 1.024 181 V CB -0.725 30.993 31.823 -0.175 0.000 0.651 181 V HN 0.410 nan 8.190 nan 0.000 0.449 182 A N 0.506 122.920 122.820 -0.676 0.000 1.972 182 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 182 A C 2.370 179.783 177.584 -0.285 0.000 1.169 182 A CA 1.820 53.307 52.037 -0.917 0.000 0.635 182 A CB -1.109 17.021 19.000 -1.450 0.000 0.810 182 A HN 0.548 nan 8.150 nan 0.000 0.446 183 G N -1.974 106.691 108.800 -0.224 0.000 2.443 183 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 183 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 183 G C 1.483 176.466 174.900 0.139 0.000 1.131 183 G CA 1.190 46.281 45.100 -0.014 0.000 0.775 183 G HN 0.570 nan 8.290 nan 0.000 0.547 184 Y N 1.874 122.173 120.300 -0.002 0.000 2.220 184 Y HA 0.177 4.727 4.550 -0.000 0.000 0.291 184 Y C 2.750 178.622 175.900 -0.047 0.000 1.129 184 Y CA 0.929 59.031 58.100 0.004 0.000 1.161 184 Y CB -0.325 38.180 38.460 0.075 0.000 0.997 184 Y HN 0.212 nan 8.280 nan 0.000 0.522 185 A N -0.921 121.831 122.820 -0.113 0.000 2.016 185 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 185 A C 0.642 178.231 177.584 0.008 0.000 1.162 185 A CA 0.482 52.450 52.037 -0.115 0.000 0.662 185 A CB -1.212 17.802 19.000 0.024 0.000 0.812 185 A HN 0.591 nan 8.150 nan 0.000 0.450 186 H N -1.033 118.038 119.070 0.001 0.000 2.964 186 H HA 0.362 4.918 4.556 -0.000 0.000 0.328 186 H C 1.453 176.775 175.328 -0.011 0.000 1.030 186 H CA 1.221 57.284 56.048 0.025 0.000 1.445 186 H CB 0.351 30.163 29.762 0.083 0.000 1.449 186 H HN 0.489 nan 8.280 nan 0.000 0.581 187 G N 3.975 112.381 108.800 -0.657 0.000 2.268 187 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.240 187 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.240 187 G C 0.338 175.124 174.900 -0.191 0.000 1.010 187 G CA 0.190 45.056 45.100 -0.391 0.000 0.618 187 G HN 0.647 nan 8.290 nan 0.000 0.516 188 I N 2.550 123.033 120.570 -0.145 0.000 2.308 188 I HA 0.201 4.371 4.170 -0.000 0.000 0.293 188 I C -0.668 175.415 176.117 -0.058 0.000 1.078 188 I CA -2.039 59.205 61.300 -0.093 0.000 1.292 188 I CB 1.523 39.460 38.000 -0.104 0.000 1.423 188 I HN -0.086 nan 8.210 nan 0.000 0.493 189 P HA -0.218 nan 4.420 nan 0.000 0.217 189 P C 0.709 178.013 177.300 0.007 0.000 1.158 189 P CA 1.501 64.585 63.100 -0.026 0.000 0.887 189 P CB -0.008 31.678 31.700 -0.024 0.000 0.792 190 N N -1.619 117.090 118.700 0.016 0.000 2.268 190 N HA 0.182 4.922 4.740 -0.000 0.000 0.204 190 N C -0.105 175.457 175.510 0.086 0.000 1.124 190 N CA -0.212 52.862 53.050 0.041 0.000 0.838 190 N CB -0.428 38.075 38.487 0.025 0.000 0.994 190 N HN -0.035 nan 8.380 nan 0.000 0.489 191 A N 0.908 123.794 122.820 0.110 0.000 2.289 191 A HA 0.618 4.938 4.320 -0.000 0.000 0.298 191 A C -0.296 177.457 177.584 0.283 0.000 1.208 191 A CA -0.644 51.536 52.037 0.240 0.000 0.845 191 A CB 0.135 19.245 19.000 0.183 0.000 1.125 191 A HN 0.334 nan 8.150 nan 0.000 0.517 192 I N 2.819 123.618 120.570 0.383 0.000 2.382 192 I HA 0.278 4.448 4.170 -0.000 0.000 0.285 192 I C -0.797 175.631 176.117 0.517 0.000 1.007 192 I CA -0.237 61.273 61.300 0.351 0.000 1.142 192 I CB 1.265 39.401 38.000 0.227 0.000 1.289 192 I HN 0.705 nan 8.210 nan 0.000 0.453 193 F N 6.559 126.706 119.950 0.329 0.000 2.408 193 F HA 0.548 5.075 4.527 -0.000 0.000 0.344 193 F C 0.400 176.354 175.800 0.256 0.000 1.112 193 F CA -0.170 58.033 58.000 0.339 0.000 1.096 193 F CB 1.237 40.376 39.000 0.232 0.000 1.129 193 F HN 0.493 nan 8.300 nan 0.000 0.486 194 T N 5.143 119.380 114.554 -0.529 0.000 2.887 194 T HA 0.711 5.061 4.350 -0.000 0.000 0.288 194 T C -1.427 173.001 174.700 -0.454 0.000 1.021 194 T CA -0.822 61.121 62.100 -0.262 0.000 1.000 194 T CB 1.836 70.814 68.868 0.183 0.000 1.034 194 T HN 0.702 nan 8.240 nan 0.000 0.467 195 L N 1.956 123.098 121.223 -0.135 0.000 2.409 195 L HA 0.689 5.029 4.340 -0.000 0.000 0.262 195 L C -1.278 175.668 176.870 0.127 0.000 0.992 195 L CA -0.629 54.157 54.840 -0.089 0.000 0.817 195 L CB 2.338 44.392 42.059 -0.009 0.000 1.350 195 L HN 0.846 nan 8.230 nan 0.000 0.411 196 N N 3.676 122.398 118.700 0.038 0.000 2.372 196 N HA 0.345 5.085 4.740 -0.000 0.000 0.291 196 N C 0.608 176.031 175.510 -0.145 0.000 1.024 196 N CA -0.385 52.702 53.050 0.060 0.000 0.873 196 N CB 1.743 40.276 38.487 0.077 0.000 1.206 196 N HN 0.832 nan 8.380 nan 0.000 0.486 197 L N 2.116 123.221 121.223 -0.197 0.000 2.275 197 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 197 L C 1.347 177.984 176.870 -0.389 0.000 1.119 197 L CA 0.532 55.194 54.840 -0.296 0.000 0.790 197 L CB -0.273 41.555 42.059 -0.385 0.000 0.919 197 L HN 0.671 nan 8.230 nan 0.000 0.443 198 S N -1.385 114.058 115.700 -0.429 0.000 1.797 198 S HA -0.303 4.167 4.470 -0.000 0.000 0.222 198 S C 0.450 174.661 174.600 -0.650 0.000 0.922 198 S CA 1.552 59.307 58.200 -0.741 0.000 1.575 198 S CB -0.871 61.551 63.200 -1.295 0.000 2.104 198 S HN 0.742 nan 8.310 nan 0.000 0.544 199 A N -0.568 121.926 122.820 -0.543 0.000 2.599 199 A HA 0.670 4.990 4.320 -0.000 0.000 0.294 199 A C -2.740 174.620 177.584 -0.373 0.000 1.055 199 A CA -0.611 51.217 52.037 -0.348 0.000 0.683 199 A CB 0.466 19.343 19.000 -0.205 0.000 1.278 199 A HN 0.034 nan 8.150 nan 0.000 0.412 200 P HA -0.138 nan 4.420 nan 0.000 0.216 200 P C 1.354 178.453 177.300 -0.336 0.000 1.153 200 P CA 2.126 64.936 63.100 -0.482 0.000 0.858 200 P CB -0.169 31.085 31.700 -0.743 0.000 0.789 201 F N -1.438 118.405 119.950 -0.177 0.000 2.293 201 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 201 F C 1.745 177.531 175.800 -0.022 0.000 1.086 201 F CA 0.562 58.509 58.000 -0.087 0.000 1.375 201 F CB -1.804 37.178 39.000 -0.029 0.000 1.045 201 F HN -0.113 nan 8.300 nan 0.000 0.516 202 C N 0.634 119.473 119.300 -0.769 0.000 2.440 202 C HA -0.080 4.380 4.460 -0.000 0.000 0.278 202 C C 2.923 177.872 174.990 -0.068 0.000 1.295 202 C CA 0.948 59.743 59.018 -0.371 0.000 1.738 202 C CB -1.054 26.388 27.740 -0.497 0.000 1.987 202 C HN 0.500 nan 8.230 nan 0.000 0.492 203 V N 1.034 120.869 119.914 -0.132 0.000 2.407 203 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 203 V C 2.323 178.416 176.094 -0.001 0.000 1.055 203 V CA 1.970 64.251 62.300 -0.031 0.000 1.049 203 V CB -0.653 31.153 31.823 -0.028 0.000 0.662 203 V HN 0.633 nan 8.190 nan 0.000 0.455 204 E N -0.325 119.862 120.200 -0.022 0.000 2.042 204 E HA -0.117 4.233 4.350 -0.000 0.000 0.189 204 E C 2.136 178.691 176.600 -0.075 0.000 0.974 204 E CA 0.739 57.123 56.400 -0.026 0.000 0.806 204 E CB -0.242 29.464 29.700 0.010 0.000 0.769 204 E HN 0.346 nan 8.360 nan 0.000 0.451 205 L N 0.380 121.530 121.223 -0.122 0.000 2.079 205 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 205 L C 0.989 177.510 176.870 -0.582 0.000 1.081 205 L CA 1.752 56.378 54.840 -0.357 0.000 0.752 205 L CB -0.184 41.608 42.059 -0.444 0.000 0.896 205 L HN 0.148 nan 8.230 nan 0.000 0.433 206 Y N -1.530 118.783 120.300 0.021 0.000 2.751 206 Y HA 0.172 4.722 4.550 -0.000 0.000 0.289 206 Y C 1.723 177.638 175.900 0.025 0.000 1.110 206 Y CA -0.337 57.771 58.100 0.014 0.000 1.251 206 Y CB -0.255 38.202 38.460 -0.005 0.000 1.178 206 Y HN 0.078 nan 8.280 nan 0.000 0.540 207 K N 1.014 121.460 120.400 0.076 0.000 2.032 207 K HA -0.276 4.044 4.320 -0.000 0.000 0.218 207 K C 0.916 177.617 176.600 0.168 0.000 1.054 207 K CA 2.630 58.974 56.287 0.095 0.000 0.941 207 K CB -0.050 32.438 32.500 -0.021 0.000 0.720 207 K HN 0.401 nan 8.250 nan 0.000 0.449 208 D N -0.287 120.180 120.400 0.112 0.000 2.149 208 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 208 D C 1.897 178.251 176.300 0.091 0.000 0.972 208 D CA 1.182 55.245 54.000 0.104 0.000 0.835 208 D CB -0.092 40.747 40.800 0.065 0.000 0.966 208 D HN 0.427 nan 8.370 nan 0.000 0.476 209 A N 1.335 124.215 122.820 0.100 0.000 1.930 209 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 209 A C 2.187 179.800 177.584 0.049 0.000 1.175 209 A CA 1.091 53.168 52.037 0.066 0.000 0.627 209 A CB -0.547 18.507 19.000 0.091 0.000 0.815 209 A HN 0.145 nan 8.150 nan 0.000 0.443 210 M N -1.002 118.653 119.600 0.092 0.000 2.175 210 M HA -0.179 4.301 4.480 -0.000 0.000 0.264 210 M C 2.345 178.663 176.300 0.030 0.000 1.063 210 M CA 1.931 57.268 55.300 0.062 0.000 1.119 210 M CB -0.152 32.508 32.600 0.100 0.000 1.377 210 M HN 0.622 nan 8.290 nan 0.000 0.415 211 Q N -0.846 118.983 119.800 0.048 0.000 2.084 211 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 211 Q C 2.027 178.027 176.000 -0.000 0.000 0.978 211 Q CA 2.084 57.870 55.803 -0.028 0.000 0.844 211 Q CB -0.105 28.660 28.738 0.045 0.000 0.898 211 Q HN 0.563 nan 8.270 nan 0.000 0.426 212 S N -0.128 115.590 115.700 0.029 0.000 2.355 212 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 212 S C 1.882 176.545 174.600 0.105 0.000 1.031 212 S CA 1.022 59.255 58.200 0.056 0.000 0.993 212 S CB -0.343 62.873 63.200 0.027 0.000 0.859 212 S HN 0.453 nan 8.310 nan 0.000 0.453 213 L N 1.794 123.023 121.223 0.010 0.000 2.042 213 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 213 L C 2.137 179.061 176.870 0.090 0.000 1.076 213 L CA 1.710 56.534 54.840 -0.027 0.000 0.749 213 L CB -0.697 41.333 42.059 -0.049 0.000 0.893 213 L HN 0.409 nan 8.230 nan 0.000 0.432 214 L N -1.314 119.949 121.223 0.068 0.000 2.131 214 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 214 L C 2.425 179.340 176.870 0.074 0.000 1.092 214 L CA 0.984 55.863 54.840 0.066 0.000 0.759 214 L CB -0.497 41.555 42.059 -0.011 0.000 0.903 214 L HN 0.320 nan 8.230 nan 0.000 0.435 215 L N -1.086 120.170 121.223 0.055 0.000 2.265 215 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 215 L C 1.621 178.441 176.870 -0.084 0.000 1.117 215 L CA 0.912 55.728 54.840 -0.040 0.000 0.782 215 L CB -0.522 41.450 42.059 -0.145 0.000 0.914 215 L HN 0.367 nan 8.230 nan 0.000 0.441 216 H N -2.059 116.984 119.070 -0.045 0.000 2.517 216 H HA 0.159 4.715 4.556 -0.000 0.000 0.282 216 H C 0.156 175.564 175.328 0.134 0.000 1.023 216 H CA -0.109 55.942 56.048 0.005 0.000 1.169 216 H CB 0.028 29.679 29.762 -0.184 0.000 1.454 216 H HN 0.010 nan 8.280 nan 0.000 0.556 217 T N -0.177 114.546 114.554 0.281 0.000 2.829 217 T HA 0.136 4.486 4.350 -0.000 0.000 0.282 217 T C 0.744 175.587 174.700 0.238 0.000 0.990 217 T CA -0.537 61.788 62.100 0.376 0.000 1.028 217 T CB 1.343 70.398 68.868 0.312 0.000 0.951 217 T HN 0.360 nan 8.240 nan 0.000 0.460 218 N N 1.378 120.220 118.700 0.236 0.000 2.436 218 N HA 0.273 5.013 4.740 -0.000 0.000 0.178 218 N C -0.148 175.383 175.510 0.034 0.000 1.026 218 N CA 0.436 53.566 53.050 0.133 0.000 0.880 218 N CB 0.455 39.039 38.487 0.161 0.000 1.061 218 N HN 0.501 nan 8.380 nan 0.000 0.434 219 I N 1.071 121.616 120.570 -0.042 0.000 2.499 219 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 219 I C -1.575 174.307 176.117 -0.391 0.000 1.048 219 I CA -0.967 60.173 61.300 -0.268 0.000 1.062 219 I CB 2.446 40.197 38.000 -0.415 0.000 1.238 219 I HN -0.078 nan 8.210 nan 0.000 0.426 220 L N 7.126 128.120 121.223 -0.382 0.000 2.333 220 L HA 0.627 4.967 4.340 -0.000 0.000 0.280 220 L C -1.481 175.203 176.870 -0.311 0.000 1.004 220 L CA 0.079 54.769 54.840 -0.250 0.000 0.820 220 L CB 1.023 43.065 42.059 -0.029 0.000 1.247 220 L HN 0.283 nan 8.230 nan 0.000 0.416 221 F N 3.342 123.300 119.950 0.013 0.000 2.458 221 F HA 0.883 5.410 4.527 -0.000 0.000 0.330 221 F C 0.906 176.696 175.800 -0.018 0.000 1.082 221 F CA -0.244 57.780 58.000 0.039 0.000 0.995 221 F CB 2.244 41.257 39.000 0.022 0.000 1.170 221 F HN 0.643 nan 8.300 nan 0.000 0.478 222 G N 1.374 110.347 108.800 0.288 0.000 2.519 222 G HA2 0.375 4.335 3.960 -0.000 0.000 0.292 222 G HA3 0.375 4.335 3.960 -0.000 0.000 0.292 222 G C -2.077 172.959 174.900 0.226 0.000 1.507 222 G CA -1.160 43.956 45.100 0.026 0.000 0.806 222 G HN 0.662 nan 8.290 nan 0.000 0.523 223 N N -0.678 118.080 118.700 0.096 0.000 2.491 223 N HA 0.331 5.071 4.740 -0.000 0.000 0.279 223 N C 0.904 176.548 175.510 0.223 0.000 1.236 223 N CA -0.393 52.727 53.050 0.117 0.000 0.982 223 N CB 0.957 39.462 38.487 0.029 0.000 1.194 223 N HN 0.576 nan 8.380 nan 0.000 0.582 224 E N -0.390 119.901 120.200 0.151 0.000 2.038 224 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 224 E C 1.255 177.964 176.600 0.182 0.000 1.000 224 E CA 1.552 58.050 56.400 0.163 0.000 0.803 224 E CB -0.125 29.633 29.700 0.096 0.000 0.750 224 E HN 0.823 nan 8.360 nan 0.000 0.448 225 E N 1.030 121.318 120.200 0.146 0.000 2.077 225 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 225 E C 1.843 178.581 176.600 0.230 0.000 0.989 225 E CA 1.304 57.814 56.400 0.182 0.000 0.800 225 E CB 0.096 29.887 29.700 0.153 0.000 0.746 225 E HN 0.263 nan 8.360 nan 0.000 0.452 226 E N -0.459 119.801 120.200 0.101 0.000 2.051 226 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 226 E C 1.854 178.449 176.600 -0.008 0.000 0.991 226 E CA 1.214 57.603 56.400 -0.019 0.000 0.799 226 E CB -0.179 29.409 29.700 -0.188 0.000 0.748 226 E HN 0.278 nan 8.360 nan 0.000 0.449 227 F N 0.763 120.748 119.950 0.058 0.000 2.234 227 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 227 F C 2.294 178.127 175.800 0.056 0.000 1.087 227 F CA 1.002 59.026 58.000 0.041 0.000 1.340 227 F CB -0.431 38.570 39.000 0.002 0.000 1.031 227 F HN 0.007 nan 8.300 nan 0.000 0.500 228 A N -0.785 122.178 122.820 0.238 0.000 1.902 228 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 228 A C 2.134 179.754 177.584 0.060 0.000 1.181 228 A CA 1.666 53.783 52.037 0.134 0.000 0.623 228 A CB -0.997 18.053 19.000 0.082 0.000 0.818 228 A HN 0.419 nan 8.150 nan 0.000 0.443 229 H N -1.328 117.782 119.070 0.067 0.000 2.357 229 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 229 H C 2.131 177.482 175.328 0.038 0.000 1.082 229 H CA 1.730 57.799 56.048 0.036 0.000 1.342 229 H CB -0.202 29.565 29.762 0.008 0.000 1.389 229 H HN 0.425 nan 8.280 nan 0.000 0.511 230 L N 1.013 122.339 121.223 0.172 0.000 2.046 230 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 230 L C 2.605 179.597 176.870 0.202 0.000 1.077 230 L CA 1.717 56.665 54.840 0.180 0.000 0.747 230 L CB -0.604 41.526 42.059 0.117 0.000 0.896 230 L HN 0.150 nan 8.230 nan 0.000 0.432 231 A N -0.772 122.151 122.820 0.171 0.000 1.972 231 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 231 A C 2.445 180.085 177.584 0.094 0.000 1.169 231 A CA 1.955 54.075 52.037 0.138 0.000 0.635 231 A CB -0.565 18.507 19.000 0.120 0.000 0.810 231 A HN 0.522 nan 8.150 nan 0.000 0.446 232 K N -0.384 120.050 120.400 0.057 0.000 2.076 232 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 232 K C 1.725 178.319 176.600 -0.010 0.000 1.051 232 K CA 1.352 57.647 56.287 0.014 0.000 0.949 232 K CB -0.167 32.316 32.500 -0.029 0.000 0.726 232 K HN 0.198 nan 8.250 nan 0.000 0.443 233 V N 0.995 120.884 119.914 -0.041 0.000 2.427 233 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 233 V C 1.586 177.502 176.094 -0.297 0.000 1.051 233 V CA 1.470 63.661 62.300 -0.182 0.000 1.048 233 V CB -0.493 31.170 31.823 -0.267 0.000 0.666 233 V HN 0.404 nan 8.190 nan 0.000 0.456 234 H N 0.084 119.176 119.070 0.038 0.000 2.505 234 H HA 0.242 4.798 4.556 -0.000 0.000 0.289 234 H C 0.365 175.712 175.328 0.032 0.000 1.052 234 H CA -0.236 55.833 56.048 0.034 0.000 1.156 234 H CB -0.159 29.625 29.762 0.037 0.000 1.507 234 H HN 0.445 nan 8.280 nan 0.000 0.548 235 N N 1.416 120.170 118.700 0.090 0.000 2.686 235 N HA -0.199 4.541 4.740 -0.000 0.000 0.261 235 N C 1.043 176.602 175.510 0.082 0.000 1.001 235 N CA 0.250 53.342 53.050 0.069 0.000 0.764 235 N CB -1.364 37.154 38.487 0.050 0.000 0.898 235 N HN 0.461 nan 8.380 nan 0.000 0.544 236 L N -1.149 120.131 121.223 0.095 0.000 2.313 236 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 236 L C 1.286 178.190 176.870 0.057 0.000 1.119 236 L CA 0.763 55.650 54.840 0.079 0.000 0.809 236 L CB -0.008 42.105 42.059 0.089 0.000 0.933 236 L HN 0.317 nan 8.230 nan 0.000 0.449 237 V N -4.775 115.178 119.914 0.064 0.000 3.160 237 V HA 0.799 4.919 4.120 -0.000 0.000 0.310 237 V C -0.062 176.066 176.094 0.057 0.000 1.181 237 V CA -1.203 61.135 62.300 0.064 0.000 1.047 237 V CB 1.399 33.282 31.823 0.101 0.000 1.068 237 V HN -0.075 nan 8.190 nan 0.000 0.441 238 A N 0.926 123.776 122.820 0.050 0.000 2.483 238 A HA 0.653 4.973 4.320 -0.000 0.000 0.238 238 A C 1.684 179.287 177.584 0.032 0.000 1.070 238 A CA 0.366 52.424 52.037 0.035 0.000 0.770 238 A CB 0.222 19.239 19.000 0.027 0.000 1.008 238 A HN 2.296 nan 8.150 nan 0.000 0.497 239 A N 0.540 123.372 122.820 0.020 0.000 1.986 239 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 239 A C 1.864 179.451 177.584 0.004 0.000 1.171 239 A CA 2.055 54.099 52.037 0.012 0.000 0.640 239 A CB -0.567 18.436 19.000 0.006 0.000 0.811 239 A HN 0.979 nan 8.150 nan 0.000 0.451 240 E N -0.383 119.818 120.200 0.003 0.000 2.204 240 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 240 E C 1.589 178.176 176.600 -0.022 0.000 0.989 240 E CA 1.202 57.597 56.400 -0.009 0.000 0.824 240 E CB -0.023 29.674 29.700 -0.005 0.000 0.756 240 E HN 0.670 nan 8.360 nan 0.000 0.477 241 K N -0.916 119.482 120.400 -0.004 0.000 2.352 241 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 241 K C 1.767 178.359 176.600 -0.012 0.000 1.038 241 K CA 0.520 56.794 56.287 -0.021 0.000 1.023 241 K CB 0.490 33.034 32.500 0.074 0.000 0.840 241 K HN -0.027 nan 8.250 nan 0.000 0.519 242 T N 1.221 115.793 114.554 0.030 0.000 2.869 242 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 242 T C 1.685 176.386 174.700 0.002 0.000 1.082 242 T CA 1.525 63.652 62.100 0.046 0.000 1.123 242 T CB -0.083 68.798 68.868 0.021 0.000 0.856 242 T HN 0.300 nan 8.240 nan 0.000 0.499 243 A N -0.154 122.631 122.820 -0.058 0.000 2.390 243 A HA 0.468 4.788 4.320 -0.000 0.000 0.232 243 A C 0.708 178.210 177.584 -0.137 0.000 1.233 243 A CA -0.420 51.574 52.037 -0.072 0.000 0.907 243 A CB -0.032 18.935 19.000 -0.055 0.000 0.967 243 A HN 0.368 nan 8.150 nan 0.000 0.512 244 L N 0.587 121.631 121.223 -0.298 0.000 2.483 244 L HA 0.219 4.559 4.340 -0.000 0.000 0.275 244 L C 0.831 177.493 176.870 -0.348 0.000 1.220 244 L CA 0.430 55.004 54.840 -0.443 0.000 0.833 244 L CB 0.676 42.255 42.059 -0.800 0.000 1.102 244 L HN 0.149 nan 8.230 nan 0.000 0.490 245 S N 0.833 116.437 115.700 -0.160 0.000 2.528 245 S HA 0.144 4.614 4.470 -0.000 0.000 0.277 245 S C 1.151 175.831 174.600 0.134 0.000 1.297 245 S CA 0.005 58.205 58.200 -0.001 0.000 1.052 245 S CB 0.427 63.630 63.200 0.005 0.000 0.917 245 S HN 0.839 nan 8.310 nan 0.000 0.492 246 T N 2.571 117.245 114.554 0.201 0.000 3.160 246 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 246 T C 1.430 176.176 174.700 0.078 0.000 1.147 246 T CA 0.416 62.631 62.100 0.191 0.000 1.064 246 T CB -0.162 68.775 68.868 0.116 0.000 0.949 246 T HN 0.626 nan 8.240 nan 0.000 0.526 247 A N 1.592 124.449 122.820 0.063 0.000 2.206 247 A HA 0.210 4.530 4.320 -0.000 0.000 0.211 247 A C 1.125 178.722 177.584 0.022 0.000 1.158 247 A CA -0.004 52.048 52.037 0.026 0.000 0.761 247 A CB -0.588 18.434 19.000 0.036 0.000 0.801 247 A HN 0.559 nan 8.150 nan 0.000 0.473 248 N N 0.250 118.978 118.700 0.048 0.000 2.462 248 N HA 0.159 4.898 4.740 -0.000 0.000 0.242 248 N C 0.741 176.279 175.510 0.046 0.000 1.010 248 N CA -0.235 52.842 53.050 0.045 0.000 0.939 248 N CB 0.656 39.176 38.487 0.055 0.000 1.127 248 N HN 0.247 nan 8.380 nan 0.000 0.509 249 K N 2.658 123.067 120.400 0.014 0.000 2.071 249 K HA -0.378 3.942 4.320 -0.000 0.000 0.217 249 K C 1.735 178.337 176.600 0.002 0.000 1.054 249 K CA 2.591 58.876 56.287 -0.003 0.000 0.937 249 K CB -0.280 32.215 32.500 -0.007 0.000 0.719 249 K HN 0.680 nan 8.250 nan 0.000 0.454 250 E N 0.540 120.753 120.200 0.021 0.000 2.065 250 E HA -0.299 4.051 4.350 -0.000 0.000 0.201 250 E C 1.807 178.435 176.600 0.047 0.000 1.016 250 E CA 2.166 58.582 56.400 0.027 0.000 0.818 250 E CB -1.238 28.483 29.700 0.036 0.000 0.749 250 E HN 0.743 nan 8.360 nan 0.000 0.453 251 H N -0.049 119.007 119.070 -0.023 0.000 2.389 251 H HA 0.279 4.834 4.556 -0.000 0.000 0.299 251 H C 2.303 177.608 175.328 -0.038 0.000 1.081 251 H CA 2.066 58.100 56.048 -0.023 0.000 1.345 251 H CB -0.415 29.338 29.762 -0.015 0.000 1.393 251 H HN 0.442 nan 8.280 nan 0.000 0.520 252 A N -0.099 122.646 122.820 -0.126 0.000 1.902 252 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 252 A C 2.657 180.107 177.584 -0.222 0.000 1.181 252 A CA 1.718 53.632 52.037 -0.205 0.000 0.623 252 A CB -0.903 18.029 19.000 -0.113 0.000 0.818 252 A HN 0.326 nan 8.150 nan 0.000 0.443 253 V N 0.312 120.142 119.914 -0.141 0.000 2.427 253 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 253 V C 2.361 178.379 176.094 -0.127 0.000 1.051 253 V CA 2.121 64.350 62.300 -0.118 0.000 1.048 253 V CB -0.840 30.942 31.823 -0.068 0.000 0.666 253 V HN 0.631 nan 8.190 nan 0.000 0.456 254 E N -0.027 120.096 120.200 -0.127 0.000 2.106 254 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 254 E C 2.274 178.787 176.600 -0.144 0.000 0.984 254 E CA 1.356 57.694 56.400 -0.103 0.000 0.806 254 E CB -0.196 29.472 29.700 -0.053 0.000 0.750 254 E HN 0.477 nan 8.360 nan 0.000 0.458 255 V N 1.006 120.764 119.914 -0.259 0.000 2.307 255 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 255 V C 2.476 178.449 176.094 -0.201 0.000 1.045 255 V CA 1.418 63.578 62.300 -0.233 0.000 1.024 255 V CB -0.422 31.201 31.823 -0.334 0.000 0.651 255 V HN 0.431 nan 8.190 nan 0.000 0.449 256 C N 0.696 119.822 119.300 -0.290 0.000 2.429 256 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 256 C C 3.178 178.088 174.990 -0.135 0.000 1.262 256 C CA 1.765 60.602 59.018 -0.301 0.000 1.733 256 C CB -1.272 26.286 27.740 -0.304 0.000 2.010 256 C HN 0.787 nan 8.230 nan 0.000 0.483 257 T N -0.947 113.547 114.554 -0.100 0.000 2.821 257 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 257 T C 1.921 176.604 174.700 -0.028 0.000 1.046 257 T CA 1.810 63.879 62.100 -0.052 0.000 1.139 257 T CB -0.696 68.146 68.868 -0.044 0.000 0.871 257 T HN 0.515 nan 8.240 nan 0.000 0.454 258 G N 1.167 109.949 108.800 -0.029 0.000 2.402 258 G HA2 0.140 4.100 3.960 -0.000 0.000 0.216 258 G HA3 0.140 4.100 3.960 -0.000 0.000 0.216 258 G C 1.910 176.823 174.900 0.022 0.000 1.162 258 G CA 0.644 45.745 45.100 0.001 0.000 0.777 258 G HN 0.724 nan 8.290 nan 0.000 0.539 259 A N 0.397 123.240 122.820 0.038 0.000 1.969 259 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 259 A C 2.292 179.908 177.584 0.054 0.000 1.169 259 A CA 1.480 53.571 52.037 0.090 0.000 0.635 259 A CB -0.352 18.793 19.000 0.242 0.000 0.810 259 A HN 0.412 nan 8.150 nan 0.000 0.445 260 L N 0.124 121.363 121.223 0.027 0.000 2.127 260 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 260 L C 2.313 179.191 176.870 0.013 0.000 1.089 260 L CA 1.817 56.668 54.840 0.018 0.000 0.757 260 L CB -0.542 41.520 42.059 0.006 0.000 0.899 260 L HN 0.370 nan 8.230 nan 0.000 0.434 261 R N -0.941 119.564 120.500 0.008 0.000 2.152 261 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 261 R C 2.129 178.426 176.300 -0.005 0.000 1.117 261 R CA 1.261 57.363 56.100 0.003 0.000 0.981 261 R CB -0.426 29.877 30.300 0.004 0.000 0.870 261 R HN 0.392 nan 8.270 nan 0.000 0.451 262 L N 0.076 121.291 121.223 -0.014 0.000 2.291 262 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 262 L C 1.445 178.301 176.870 -0.022 0.000 1.120 262 L CA 0.630 55.443 54.840 -0.045 0.000 0.799 262 L CB -0.110 41.892 42.059 -0.094 0.000 0.925 262 L HN 0.147 nan 8.230 nan 0.000 0.446 263 L N -1.294 119.931 121.223 0.004 0.000 2.316 263 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 263 L C 2.664 179.549 176.870 0.024 0.000 1.070 263 L CA 1.523 56.378 54.840 0.025 0.000 0.820 263 L CB -0.821 41.262 42.059 0.039 0.000 0.992 263 L HN 0.248 nan 8.230 nan 0.000 0.466 264 T N -3.480 111.084 114.554 0.016 0.000 3.035 264 T HA 0.203 4.553 4.350 -0.000 0.000 0.259 264 T C 1.378 176.082 174.700 0.007 0.000 1.078 264 T CA 0.462 62.571 62.100 0.015 0.000 1.132 264 T CB -0.161 68.715 68.868 0.013 0.000 0.900 264 T HN 0.275 nan 8.240 nan 0.000 0.480 265 A N 0.773 123.593 122.820 -0.001 0.000 2.826 265 A HA 0.090 4.410 4.320 -0.000 0.000 0.274 265 A C 1.931 179.514 177.584 -0.002 0.000 1.443 265 A CA 1.367 53.400 52.037 -0.006 0.000 0.833 265 A CB -2.347 16.644 19.000 -0.015 0.000 1.023 265 A HN 2.160 nan 8.150 nan 0.000 0.600 266 G N -2.695 106.106 108.800 0.002 0.000 2.184 266 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 266 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 266 G C 0.063 174.964 174.900 0.003 0.000 0.975 266 G CA 1.237 46.338 45.100 0.002 0.000 0.642 266 G HN 1.384 nan 8.290 nan 0.000 0.536 267 Q N -0.514 119.288 119.800 0.004 0.000 2.215 267 Q HA 0.608 4.948 4.340 -0.000 0.000 0.256 267 Q C -0.398 175.604 176.000 0.004 0.000 0.972 267 Q CA -0.746 55.060 55.803 0.004 0.000 0.889 267 Q CB 1.251 29.991 28.738 0.004 0.000 1.281 267 Q HN 0.213 nan 8.270 nan 0.000 0.456 268 N N 0.286 118.987 118.700 0.002 0.000 2.410 268 N HA 0.349 5.089 4.740 -0.000 0.000 0.287 268 N C -1.463 174.045 175.510 -0.003 0.000 1.044 268 N CA -0.166 52.885 53.050 0.002 0.000 0.881 268 N CB 1.585 40.074 38.487 0.002 0.000 1.405 268 N HN 0.690 nan 8.380 nan 0.000 0.490 269 T N -0.957 113.593 114.554 -0.005 0.000 2.676 269 T HA 0.384 4.734 4.350 -0.000 0.000 0.269 269 T C 0.868 175.563 174.700 -0.008 0.000 0.952 269 T CA -0.062 62.030 62.100 -0.013 0.000 1.040 269 T CB 0.445 69.295 68.868 -0.030 0.000 1.352 269 T HN 0.318 nan 8.240 nan 0.000 0.554 270 S N -0.488 115.204 115.700 -0.013 0.000 2.558 270 S HA 0.432 4.902 4.470 -0.000 0.000 0.217 270 S C 1.073 175.673 174.600 -0.000 0.000 0.975 270 S CA -0.128 58.068 58.200 -0.005 0.000 0.912 270 S CB -0.855 62.340 63.200 -0.008 0.000 0.776 270 S HN 1.104 nan 8.310 nan 0.000 0.526 271 A N 1.813 124.629 122.820 -0.006 0.000 2.386 271 A HA 0.515 4.835 4.320 -0.000 0.000 0.248 271 A C 0.505 178.105 177.584 0.025 0.000 1.082 271 A CA -0.236 51.805 52.037 0.006 0.000 0.789 271 A CB -0.181 18.811 19.000 -0.014 0.000 1.025 271 A HN 0.357 nan 8.150 nan 0.000 0.490 272 T N 3.027 117.607 114.554 0.044 0.000 2.870 272 T HA 0.351 4.701 4.350 -0.000 0.000 0.300 272 T C -0.157 174.575 174.700 0.054 0.000 0.989 272 T CA 0.163 62.294 62.100 0.053 0.000 1.139 272 T CB 0.146 69.055 68.868 0.069 0.000 0.920 272 T HN 0.446 nan 8.240 nan 0.000 0.537 273 K N 3.199 123.625 120.400 0.045 0.000 2.668 273 K HA 0.525 4.845 4.320 -0.000 0.000 0.246 273 K C -1.429 175.189 176.600 0.029 0.000 0.976 273 K CA -0.658 55.651 56.287 0.038 0.000 0.902 273 K CB 2.039 34.560 32.500 0.035 0.000 1.172 273 K HN 0.431 nan 8.250 nan 0.000 0.452 274 L N 1.897 123.123 121.223 0.005 0.000 2.482 274 L HA 0.533 4.872 4.340 -0.000 0.000 0.263 274 L C -1.701 175.130 176.870 -0.066 0.000 0.957 274 L CA -0.709 54.124 54.840 -0.012 0.000 0.836 274 L CB 2.307 44.363 42.059 -0.005 0.000 1.324 274 L HN 0.253 nan 8.230 nan 0.000 0.406 275 V N 5.003 124.894 119.914 -0.038 0.000 2.448 275 V HA 0.646 4.766 4.120 -0.000 0.000 0.295 275 V C -0.730 175.334 176.094 -0.051 0.000 1.025 275 V CA -0.623 61.660 62.300 -0.027 0.000 0.859 275 V CB 1.898 33.725 31.823 0.006 0.000 0.988 275 V HN 0.528 nan 8.190 nan 0.000 0.431 276 V N 6.003 125.901 119.914 -0.026 0.000 2.409 276 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 276 V C -0.148 176.017 176.094 0.119 0.000 1.020 276 V CA -0.421 61.902 62.300 0.039 0.000 0.848 276 V CB 1.705 33.587 31.823 0.099 0.000 0.990 276 V HN 0.894 nan 8.190 nan 0.000 0.430 277 M N 5.603 125.172 119.600 -0.052 0.000 2.114 277 M HA 0.462 4.942 4.480 -0.000 0.000 0.332 277 M C 0.125 176.385 176.300 -0.068 0.000 1.014 277 M CA -0.312 54.950 55.300 -0.063 0.000 0.956 277 M CB 1.552 33.904 32.600 -0.414 0.000 1.551 277 M HN 0.846 nan 8.290 nan 0.000 0.427 278 T N 2.503 117.005 114.554 -0.087 0.000 2.910 278 T HA 0.492 4.842 4.350 -0.000 0.000 0.293 278 T C 0.077 174.716 174.700 -0.103 0.000 1.015 278 T CA -0.625 61.340 62.100 -0.226 0.000 1.094 278 T CB 0.977 69.594 68.868 -0.418 0.000 0.968 278 T HN 0.860 nan 8.240 nan 0.000 0.521 279 R N 1.642 122.081 120.500 -0.102 0.000 2.772 279 R HA 0.459 4.799 4.340 -0.000 0.000 0.358 279 R C 1.406 177.673 176.300 -0.056 0.000 1.143 279 R CA -0.170 55.893 56.100 -0.062 0.000 1.153 279 R CB 0.382 30.637 30.300 -0.074 0.000 1.329 279 R HN 1.132 nan 8.270 nan 0.000 0.615 280 G N 2.019 110.802 108.800 -0.027 0.000 2.629 280 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.313 280 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.313 280 G C 0.817 175.749 174.900 0.053 0.000 1.217 280 G CA 0.679 45.801 45.100 0.038 0.000 0.994 280 G HN 0.683 nan 8.290 nan 0.000 0.549 281 H N 2.152 121.228 119.070 0.009 0.000 2.535 281 H HA 0.175 4.730 4.556 -0.000 0.000 0.273 281 H C 1.052 176.392 175.328 0.019 0.000 0.983 281 H CA 0.983 57.041 56.048 0.018 0.000 1.238 281 H CB -0.394 29.381 29.762 0.022 0.000 1.412 281 H HN 0.387 nan 8.280 nan 0.000 0.562 282 N N 2.654 121.010 118.700 -0.574 0.000 2.467 282 N HA 0.141 4.881 4.740 -0.000 0.000 0.262 282 N C -2.377 173.036 175.510 -0.161 0.000 1.234 282 N CA -1.467 51.337 53.050 -0.411 0.000 0.952 282 N CB 0.507 38.782 38.487 -0.353 0.000 1.158 282 N HN 0.181 nan 8.380 nan 0.000 0.463 283 P HA -0.024 nan 4.420 nan 0.000 0.265 283 P C -0.292 176.991 177.300 -0.029 0.000 1.187 283 P CA 0.037 63.117 63.100 -0.032 0.000 0.766 283 P CB 0.530 32.221 31.700 -0.014 0.000 0.820 284 V N 5.125 125.044 119.914 0.007 0.000 2.637 284 V HA 0.080 4.200 4.120 -0.000 0.000 0.296 284 V C 0.661 176.772 176.094 0.028 0.000 1.046 284 V CA 0.401 62.705 62.300 0.006 0.000 1.066 284 V CB 0.133 32.002 31.823 0.077 0.000 0.968 284 V HN 0.379 nan 8.190 nan 0.000 0.483 285 I N 3.547 124.111 120.570 -0.010 0.000 2.530 285 I HA 0.795 4.965 4.170 -0.000 0.000 0.297 285 I C 0.159 176.271 176.117 -0.008 0.000 1.011 285 I CA -0.365 60.928 61.300 -0.011 0.000 1.107 285 I CB 1.615 39.571 38.000 -0.073 0.000 1.285 285 I HN 0.735 nan 8.210 nan 0.000 0.436 286 A N 4.403 127.255 122.820 0.053 0.000 2.520 286 A HA 0.889 5.209 4.320 -0.000 0.000 0.298 286 A C -1.123 176.526 177.584 0.109 0.000 1.051 286 A CA -0.594 51.483 52.037 0.068 0.000 0.690 286 A CB 1.837 20.910 19.000 0.121 0.000 1.281 286 A HN 0.790 nan 8.150 nan 0.000 0.402 287 A N 1.323 124.171 122.820 0.047 0.000 2.304 287 A HA 0.719 5.039 4.320 -0.000 0.000 0.314 287 A C -0.429 177.203 177.584 0.081 0.000 1.187 287 A CA -0.336 51.729 52.037 0.047 0.000 0.810 287 A CB 0.678 19.665 19.000 -0.021 0.000 1.183 287 A HN 0.828 nan 8.150 nan 0.000 0.487 288 E N 2.343 122.619 120.200 0.126 0.000 2.210 288 E HA 0.307 4.657 4.350 -0.000 0.000 0.266 288 E C -0.813 175.833 176.600 0.076 0.000 0.883 288 E CA -0.492 55.983 56.400 0.125 0.000 0.761 288 E CB 1.223 31.072 29.700 0.248 0.000 1.156 288 E HN 0.732 nan 8.360 nan 0.000 0.412 289 Q N 3.638 123.470 119.800 0.054 0.000 2.322 289 Q HA 0.169 4.509 4.340 -0.000 0.000 0.256 289 Q C -0.249 175.775 176.000 0.041 0.000 0.960 289 Q CA -0.426 55.398 55.803 0.036 0.000 0.934 289 Q CB 0.861 29.615 28.738 0.026 0.000 1.200 289 Q HN 0.700 nan 8.270 nan 0.000 0.435 290 T N 0.501 115.076 114.554 0.035 0.000 2.732 290 T HA 0.387 4.736 4.350 -0.000 0.000 0.287 290 T C 1.348 176.062 174.700 0.023 0.000 0.993 290 T CA -0.082 62.039 62.100 0.034 0.000 0.966 290 T CB 0.862 69.747 68.868 0.028 0.000 1.047 290 T HN 0.651 nan 8.240 nan 0.000 0.527 291 A N 1.341 124.173 122.820 0.020 0.000 1.903 291 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 291 A C 1.829 179.417 177.584 0.008 0.000 1.191 291 A CA 2.265 54.309 52.037 0.012 0.000 0.638 291 A CB -1.357 17.649 19.000 0.010 0.000 0.823 291 A HN 1.014 nan 8.150 nan 0.000 0.451 292 D N -2.739 117.665 120.400 0.007 0.000 2.328 292 D HA 0.334 4.974 4.640 -0.000 0.000 0.226 292 D C 1.089 177.391 176.300 0.003 0.000 1.066 292 D CA 1.015 55.017 54.000 0.004 0.000 0.861 292 D CB -0.377 40.424 40.800 0.002 0.000 0.912 292 D HN 0.896 nan 8.370 nan 0.000 0.521 293 G N -0.003 108.800 108.800 0.006 0.000 2.213 293 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 293 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 293 G C 0.524 175.427 174.900 0.005 0.000 0.991 293 G CA 0.290 45.394 45.100 0.006 0.000 0.629 293 G HN 0.792 nan 8.290 nan 0.000 0.517 294 T N -0.655 113.901 114.554 0.003 0.000 2.919 294 T HA 0.579 4.929 4.350 -0.000 0.000 0.302 294 T C 0.316 175.016 174.700 0.000 0.000 1.031 294 T CA -0.105 61.995 62.100 -0.001 0.000 1.127 294 T CB 2.404 71.269 68.868 -0.005 0.000 0.952 294 T HN 0.799 nan 8.240 nan 0.000 0.540 295 V N 3.580 123.491 119.914 -0.005 0.000 2.465 295 V HA 0.449 4.569 4.120 -0.000 0.000 0.279 295 V C 0.149 176.229 176.094 -0.024 0.000 1.045 295 V CA -0.652 61.645 62.300 -0.005 0.000 0.938 295 V CB 1.346 33.165 31.823 -0.007 0.000 0.986 295 V HN 0.871 nan 8.190 nan 0.000 0.467 296 V N 5.495 125.391 119.914 -0.030 0.000 2.555 296 V HA 0.489 4.609 4.120 -0.000 0.000 0.302 296 V C -0.219 175.790 176.094 -0.142 0.000 1.038 296 V CA -0.643 61.594 62.300 -0.105 0.000 0.887 296 V CB 2.232 33.966 31.823 -0.148 0.000 0.991 296 V HN 0.592 nan 8.190 nan 0.000 0.434 297 V N 4.052 123.856 119.914 -0.182 0.000 2.427 297 V HA 0.462 4.582 4.120 -0.000 0.000 0.286 297 V C -0.606 175.348 176.094 -0.233 0.000 1.034 297 V CA -0.614 61.608 62.300 -0.129 0.000 0.893 297 V CB 1.380 33.160 31.823 -0.073 0.000 0.982 297 V HN 0.923 nan 8.190 nan 0.000 0.452 298 H N 2.304 121.378 119.070 0.007 0.000 2.492 298 H HA 0.623 5.179 4.556 -0.000 0.000 0.345 298 H C -0.367 174.972 175.328 0.019 0.000 1.136 298 H CA -0.528 55.534 56.048 0.023 0.000 1.202 298 H CB 1.602 31.394 29.762 0.050 0.000 1.524 298 H HN 0.693 nan 8.280 nan 0.000 0.506 299 E N 2.852 123.131 120.200 0.131 0.000 2.255 299 E HA 0.396 4.746 4.350 -0.000 0.000 0.256 299 E C -1.622 175.032 176.600 0.090 0.000 0.887 299 E CA -0.702 55.746 56.400 0.080 0.000 0.782 299 E CB 1.136 30.857 29.700 0.034 0.000 1.214 299 E HN 0.357 nan 8.360 nan 0.000 0.417 300 V N 3.970 123.942 119.914 0.096 0.000 2.350 300 V HA 0.447 4.567 4.120 -0.000 0.000 0.285 300 V C 0.810 176.950 176.094 0.076 0.000 1.014 300 V CA -0.593 61.766 62.300 0.097 0.000 0.831 300 V CB 1.324 33.226 31.823 0.132 0.000 1.000 300 V HN 0.772 nan 8.190 nan 0.000 0.433 301 G N 3.584 112.420 108.800 0.060 0.000 2.491 301 G HA2 0.365 4.325 3.960 -0.000 0.000 0.238 301 G HA3 0.365 4.325 3.960 -0.000 0.000 0.238 301 G C -0.344 174.595 174.900 0.064 0.000 1.277 301 G CA -0.124 45.004 45.100 0.048 0.000 0.851 301 G HN 0.562 nan 8.290 nan 0.000 0.573 302 V N 4.243 124.191 119.914 0.056 0.000 2.394 302 V HA 0.228 4.348 4.120 -0.000 0.000 0.282 302 V C -1.728 174.414 176.094 0.079 0.000 1.031 302 V CA -1.281 61.065 62.300 0.077 0.000 0.881 302 V CB 1.586 33.450 31.823 0.068 0.000 0.982 302 V HN 0.621 nan 8.190 nan 0.000 0.451 303 P HA 0.042 nan 4.420 nan 0.000 0.262 303 P C -0.276 177.073 177.300 0.081 0.000 1.182 303 P CA 0.083 63.230 63.100 0.078 0.000 0.761 303 P CB 0.285 32.034 31.700 0.081 0.000 0.795 304 V N 4.625 124.583 119.914 0.074 0.000 2.740 304 V HA 0.098 4.218 4.120 -0.000 0.000 0.303 304 V C 0.558 176.691 176.094 0.065 0.000 1.054 304 V CA 0.338 62.683 62.300 0.075 0.000 1.106 304 V CB 1.230 33.092 31.823 0.064 0.000 0.957 304 V HN 0.363 nan 8.190 nan 0.000 0.486 305 V N 5.296 125.247 119.914 0.062 0.000 2.524 305 V HA 0.751 4.871 4.120 -0.000 0.000 0.297 305 V C 0.325 176.442 176.094 0.037 0.000 1.035 305 V CA -0.429 61.902 62.300 0.053 0.000 0.867 305 V CB 1.512 33.371 31.823 0.060 0.000 1.004 305 V HN 1.208 nan 8.190 nan 0.000 0.426 306 A N 5.239 128.077 122.820 0.031 0.000 2.584 306 A HA 0.452 4.772 4.320 -0.000 0.000 0.239 306 A C 1.672 179.265 177.584 0.014 0.000 1.043 306 A CA 0.750 52.798 52.037 0.019 0.000 0.756 306 A CB 0.382 19.394 19.000 0.020 0.000 0.963 306 A HN 2.088 nan 8.150 nan 0.000 0.511 307 A N 2.188 125.009 122.820 0.001 0.000 2.076 307 A HA 0.133 4.453 4.320 -0.000 0.000 0.220 307 A C 2.000 179.587 177.584 0.006 0.000 1.160 307 A CA 2.211 54.246 52.037 -0.003 0.000 0.653 307 A CB -0.763 18.226 19.000 -0.018 0.000 0.801 307 A HN 1.322 nan 8.150 nan 0.000 0.455 308 E N -0.917 119.289 120.200 0.009 0.000 2.358 308 E HA 0.057 4.407 4.350 -0.000 0.000 0.195 308 E C 1.822 178.433 176.600 0.019 0.000 1.010 308 E CA 1.658 58.065 56.400 0.012 0.000 0.856 308 E CB -0.992 28.715 29.700 0.012 0.000 0.795 308 E HN 0.848 nan 8.360 nan 0.000 0.504 309 K N 0.193 120.608 120.400 0.024 0.000 2.374 309 K HA 0.422 4.742 4.320 -0.000 0.000 0.196 309 K C 0.717 177.338 176.600 0.036 0.000 1.023 309 K CA 0.086 56.392 56.287 0.033 0.000 1.103 309 K CB 0.028 32.552 32.500 0.039 0.000 0.848 309 K HN 0.362 nan 8.250 nan 0.000 0.528 310 I N 2.198 122.785 120.570 0.028 0.000 2.322 310 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 310 I C 1.318 177.449 176.117 0.022 0.000 1.060 310 I CA -0.491 60.825 61.300 0.027 0.000 1.309 310 I CB 0.789 38.803 38.000 0.023 0.000 1.415 310 I HN -0.069 nan 8.210 nan 0.000 0.492 311 V N 4.613 124.539 119.914 0.020 0.000 2.535 311 V HA 0.025 4.145 4.120 -0.000 0.000 0.246 311 V C 0.447 176.550 176.094 0.014 0.000 1.045 311 V CA 1.223 63.530 62.300 0.012 0.000 1.058 311 V CB -0.295 31.530 31.823 0.003 0.000 0.689 311 V HN 0.867 nan 8.190 nan 0.000 0.461 312 D N -1.844 118.569 120.400 0.022 0.000 2.721 312 D HA 0.086 4.726 4.640 -0.000 0.000 0.221 312 D C 0.473 176.807 176.300 0.056 0.000 1.208 312 D CA 0.418 54.447 54.000 0.048 0.000 0.755 312 D CB 1.298 42.142 40.800 0.073 0.000 1.732 312 D HN 0.115 nan 8.370 nan 0.000 0.490 313 T N -0.145 114.440 114.554 0.052 0.000 3.129 313 T HA 0.165 4.515 4.350 -0.000 0.000 0.251 313 T C 0.663 175.375 174.700 0.021 0.000 1.117 313 T CA -0.210 61.912 62.100 0.037 0.000 1.034 313 T CB -0.224 68.662 68.868 0.030 0.000 0.968 313 T HN 0.256 nan 8.240 nan 0.000 0.526 314 N N 1.821 120.550 118.700 0.049 0.000 2.492 314 N HA 0.337 5.077 4.740 -0.000 0.000 0.262 314 N C 1.408 176.786 175.510 -0.220 0.000 1.202 314 N CA 1.376 54.387 53.050 -0.064 0.000 0.926 314 N CB 0.881 39.395 38.487 0.046 0.000 1.078 314 N HN 0.570 nan 8.380 nan 0.000 0.454 315 G N 0.855 109.386 108.800 -0.449 0.000 2.199 315 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.254 315 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.254 315 G C 1.052 175.878 174.900 -0.124 0.000 0.982 315 G CA 0.667 45.509 45.100 -0.430 0.000 0.632 315 G HN 0.740 nan 8.290 nan 0.000 0.529 316 A N 0.422 123.204 122.820 -0.063 0.000 1.902 316 A HA 0.325 4.645 4.320 -0.000 0.000 0.217 316 A C 2.804 180.398 177.584 0.017 0.000 1.181 316 A CA 2.366 54.400 52.037 -0.005 0.000 0.623 316 A CB -1.051 17.953 19.000 0.007 0.000 0.818 316 A HN 1.620 nan 8.150 nan 0.000 0.443 317 G N -0.083 108.706 108.800 -0.018 0.000 2.418 317 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 317 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 317 G C 1.128 176.039 174.900 0.019 0.000 1.158 317 G CA 1.201 46.300 45.100 -0.000 0.000 0.771 317 G HN 0.472 nan 8.290 nan 0.000 0.545 318 D N 1.138 121.522 120.400 -0.027 0.000 2.117 318 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 318 D C 2.803 179.073 176.300 -0.049 0.000 0.987 318 D CA 1.247 55.227 54.000 -0.033 0.000 0.829 318 D CB -0.452 40.325 40.800 -0.040 0.000 0.961 318 D HN 0.323 nan 8.370 nan 0.000 0.460 319 A N 0.541 123.346 122.820 -0.026 0.000 1.898 319 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 319 A C 2.086 179.652 177.584 -0.031 0.000 1.181 319 A CA 0.868 52.882 52.037 -0.039 0.000 0.620 319 A CB -0.972 18.006 19.000 -0.037 0.000 0.819 319 A HN 0.236 nan 8.150 nan 0.000 0.442 320 F N 0.843 120.731 119.950 -0.104 0.000 2.069 320 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 320 F C 2.208 177.915 175.800 -0.156 0.000 1.113 320 F CA 2.184 60.135 58.000 -0.082 0.000 1.214 320 F CB -0.377 38.584 39.000 -0.065 0.000 0.978 320 F HN 0.030 nan 8.300 nan 0.000 0.474 321 V N 0.650 120.430 119.914 -0.222 0.000 2.343 321 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 321 V C 2.776 178.581 176.094 -0.482 0.000 1.051 321 V CA 1.963 63.874 62.300 -0.648 0.000 1.036 321 V CB -1.697 29.672 31.823 -0.758 0.000 0.654 321 V HN 0.588 nan 8.190 nan 0.000 0.451 322 G N 0.046 108.664 108.800 -0.304 0.000 2.446 322 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 322 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 322 G C 1.634 176.470 174.900 -0.106 0.000 1.168 322 G CA 1.038 46.025 45.100 -0.190 0.000 0.771 322 G HN 0.590 nan 8.290 nan 0.000 0.551 323 G N 0.207 108.931 108.800 -0.127 0.000 2.421 323 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 323 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 323 G C 1.646 176.515 174.900 -0.052 0.000 1.171 323 G CA 0.853 45.923 45.100 -0.050 0.000 0.775 323 G HN 0.382 nan 8.290 nan 0.000 0.543 324 F N 1.021 120.745 119.950 -0.377 0.000 2.095 324 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 324 F C 2.491 178.207 175.800 -0.141 0.000 1.104 324 F CA 1.288 59.104 58.000 -0.306 0.000 1.232 324 F CB -0.031 38.725 39.000 -0.407 0.000 0.987 324 F HN 0.034 nan 8.300 nan 0.000 0.475 325 L N -1.007 120.321 121.223 0.175 0.000 2.093 325 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 325 L C 2.338 179.232 176.870 0.041 0.000 1.085 325 L CA 1.319 56.236 54.840 0.128 0.000 0.755 325 L CB -1.017 41.039 42.059 -0.005 0.000 0.904 325 L HN 0.300 nan 8.230 nan 0.000 0.435 326 Y N 1.115 121.377 120.300 -0.064 0.000 2.145 326 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 326 Y C 2.494 178.344 175.900 -0.083 0.000 1.145 326 Y CA 1.294 59.357 58.100 -0.061 0.000 1.148 326 Y CB -0.455 37.973 38.460 -0.053 0.000 0.981 326 Y HN 0.068 nan 8.280 nan 0.000 0.507 327 A N 0.423 123.038 122.820 -0.342 0.000 1.908 327 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 327 A C 2.235 179.583 177.584 -0.392 0.000 1.181 327 A CA 1.796 53.562 52.037 -0.453 0.000 0.627 327 A CB -1.311 17.492 19.000 -0.327 0.000 0.818 327 A HN 0.578 nan 8.150 nan 0.000 0.445 328 L N 0.883 121.923 121.223 -0.306 0.000 2.083 328 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 328 L C 2.719 179.497 176.870 -0.154 0.000 1.083 328 L CA 2.712 57.434 54.840 -0.197 0.000 0.752 328 L CB -0.579 41.463 42.059 -0.028 0.000 0.899 328 L HN 0.512 nan 8.230 nan 0.000 0.433 329 S N -1.792 113.807 115.700 -0.168 0.000 2.447 329 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 329 S C 1.593 176.079 174.600 -0.190 0.000 1.006 329 S CA 0.660 58.776 58.200 -0.140 0.000 0.957 329 S CB -0.459 62.677 63.200 -0.106 0.000 0.773 329 S HN 0.589 nan 8.310 nan 0.000 0.507 330 Q N 0.722 120.343 119.800 -0.298 0.000 2.320 330 Q HA 0.286 4.626 4.340 -0.000 0.000 0.201 330 Q C 1.271 177.158 176.000 -0.188 0.000 0.910 330 Q CA 0.520 56.160 55.803 -0.273 0.000 0.946 330 Q CB -0.122 28.371 28.738 -0.410 0.000 1.062 330 Q HN 0.773 nan 8.270 nan 0.000 0.503 331 G N 1.793 110.497 108.800 -0.161 0.000 2.198 331 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 331 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 331 G C -0.020 174.804 174.900 -0.127 0.000 1.025 331 G CA 0.438 45.467 45.100 -0.118 0.000 0.769 331 G HN 0.288 nan 8.290 nan 0.000 0.507 332 K N 0.520 120.816 120.400 -0.174 0.000 2.138 332 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 332 K C 1.442 177.945 176.600 -0.160 0.000 1.015 332 K CA 0.177 56.364 56.287 -0.167 0.000 0.917 332 K CB 0.428 32.803 32.500 -0.207 0.000 1.021 332 K HN 0.379 nan 8.250 nan 0.000 0.485 333 T N -2.388 112.090 114.554 -0.128 0.000 2.748 333 T HA 0.015 4.365 4.350 -0.000 0.000 0.304 333 T C 1.515 176.112 174.700 -0.171 0.000 1.041 333 T CA -0.809 61.227 62.100 -0.107 0.000 1.033 333 T CB 0.612 69.447 68.868 -0.056 0.000 0.995 333 T HN 0.210 nan 8.240 nan 0.000 0.536 334 V N 1.710 121.529 119.914 -0.158 0.000 2.332 334 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 334 V C 2.852 178.823 176.094 -0.206 0.000 1.055 334 V CA 1.935 64.101 62.300 -0.222 0.000 1.038 334 V CB -0.859 30.755 31.823 -0.348 0.000 0.651 334 V HN 0.880 nan 8.190 nan 0.000 0.450 335 K N -0.332 119.984 120.400 -0.139 0.000 2.057 335 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 335 K C 2.281 178.848 176.600 -0.055 0.000 1.049 335 K CA 1.651 57.915 56.287 -0.038 0.000 0.931 335 K CB -0.242 32.285 32.500 0.044 0.000 0.714 335 K HN 0.531 nan 8.250 nan 0.000 0.440 336 Q N 0.126 119.867 119.800 -0.097 0.000 2.124 336 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 336 Q C 2.329 178.215 176.000 -0.191 0.000 0.977 336 Q CA 1.350 57.087 55.803 -0.111 0.000 0.850 336 Q CB -0.171 28.499 28.738 -0.114 0.000 0.901 336 Q HN 0.362 nan 8.270 nan 0.000 0.429 337 C N 0.155 119.242 119.300 -0.356 0.000 2.446 337 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 337 C C 2.459 177.188 174.990 -0.435 0.000 1.275 337 C CA 0.397 59.021 59.018 -0.656 0.000 1.727 337 C CB -0.768 26.069 27.740 -1.506 0.000 2.010 337 C HN 0.490 nan 8.230 nan 0.000 0.486 338 I N 0.607 121.094 120.570 -0.139 0.000 2.252 338 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 338 I C 2.533 178.724 176.117 0.122 0.000 1.102 338 I CA 1.614 63.023 61.300 0.181 0.000 1.385 338 I CB -0.419 37.773 38.000 0.321 0.000 1.064 338 I HN 0.346 nan 8.210 nan 0.000 0.414 339 M N -0.339 119.295 119.600 0.055 0.000 2.159 339 M HA -0.254 4.226 4.480 -0.000 0.000 0.263 339 M C 2.683 179.015 176.300 0.053 0.000 1.063 339 M CA 1.511 56.854 55.300 0.071 0.000 1.110 339 M CB -0.768 31.857 32.600 0.042 0.000 1.374 339 M HN 0.477 nan 8.290 nan 0.000 0.411 340 C N 0.916 120.209 119.300 -0.011 0.000 2.446 340 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 340 C C 2.872 177.852 174.990 -0.016 0.000 1.275 340 C CA 1.321 60.349 59.018 0.017 0.000 1.727 340 C CB -1.487 26.256 27.740 0.005 0.000 2.010 340 C HN 0.681 nan 8.230 nan 0.000 0.486 341 G N 0.041 108.728 108.800 -0.187 0.000 2.418 341 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 341 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 341 G C 1.516 176.435 174.900 0.032 0.000 1.158 341 G CA 1.129 45.972 45.100 -0.429 0.000 0.771 341 G HN 0.781 nan 8.290 nan 0.000 0.545 342 N N 0.683 119.513 118.700 0.217 0.000 2.120 342 N HA -0.066 4.673 4.740 -0.000 0.000 0.188 342 N C 2.603 178.222 175.510 0.183 0.000 1.024 342 N CA 0.800 54.025 53.050 0.292 0.000 0.852 342 N CB -0.147 38.488 38.487 0.247 0.000 1.003 342 N HN 0.351 nan 8.380 nan 0.000 0.424 343 A N 0.622 123.538 122.820 0.160 0.000 1.902 343 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 343 A C 2.462 180.137 177.584 0.153 0.000 1.181 343 A CA 1.120 53.280 52.037 0.204 0.000 0.623 343 A CB -0.909 18.249 19.000 0.263 0.000 0.818 343 A HN 0.466 nan 8.150 nan 0.000 0.443 344 C N -1.180 118.155 119.300 0.057 0.000 2.446 344 C HA 0.123 4.583 4.460 -0.000 0.000 0.277 344 C C 3.325 178.238 174.990 -0.129 0.000 1.275 344 C CA 0.649 59.552 59.018 -0.192 0.000 1.727 344 C CB -1.300 26.360 27.740 -0.134 0.000 2.010 344 C HN 0.707 nan 8.230 nan 0.000 0.486 345 A N -0.194 122.639 122.820 0.022 0.000 1.902 345 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 345 A C 2.056 179.663 177.584 0.038 0.000 1.181 345 A CA 1.848 53.921 52.037 0.060 0.000 0.623 345 A CB -0.684 18.417 19.000 0.168 0.000 0.818 345 A HN 0.677 nan 8.150 nan 0.000 0.443 346 Q N -0.643 119.195 119.800 0.063 0.000 2.124 346 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 346 Q C 1.738 177.773 176.000 0.059 0.000 0.977 346 Q CA 1.893 57.740 55.803 0.073 0.000 0.850 346 Q CB -0.179 28.622 28.738 0.105 0.000 0.901 346 Q HN 0.799 nan 8.270 nan 0.000 0.429 347 D N -1.310 119.094 120.400 0.006 0.000 2.084 347 D HA -0.149 4.490 4.640 -0.000 0.000 0.196 347 D C 1.649 178.009 176.300 0.100 0.000 0.985 347 D CA 1.361 55.369 54.000 0.013 0.000 0.826 347 D CB 0.066 40.678 40.800 -0.312 0.000 0.978 347 D HN 0.085 nan 8.370 nan 0.000 0.456 348 V N 1.510 121.411 119.914 -0.021 0.000 2.407 348 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 348 V C 2.408 178.376 176.094 -0.211 0.000 1.055 348 V CA 1.711 63.928 62.300 -0.138 0.000 1.049 348 V CB -0.830 30.951 31.823 -0.071 0.000 0.662 348 V HN 0.481 nan 8.190 nan 0.000 0.455 349 I N -1.839 118.696 120.570 -0.058 0.000 3.291 349 I HA -0.090 4.080 4.170 -0.000 0.000 0.279 349 I C 1.770 177.879 176.117 -0.013 0.000 1.294 349 I CA 1.195 62.478 61.300 -0.027 0.000 1.428 349 I CB -0.442 37.568 38.000 0.018 0.000 1.070 349 I HN 0.297 nan 8.210 nan 0.000 0.478 350 Q N 1.535 121.350 119.800 0.025 0.000 2.280 350 Q HA 0.175 4.515 4.340 -0.000 0.000 0.201 350 Q C -0.258 175.832 176.000 0.149 0.000 0.890 350 Q CA 0.007 55.865 55.803 0.091 0.000 0.947 350 Q CB 0.215 29.029 28.738 0.126 0.000 1.081 350 Q HN 0.753 nan 8.270 nan 0.000 0.502 351 H N -2.892 116.187 119.070 0.015 0.000 3.014 351 H HA 0.314 4.870 4.556 -0.000 0.000 0.337 351 H C -0.442 174.874 175.328 -0.020 0.000 1.320 351 H CA -1.105 54.943 56.048 -0.000 0.000 1.128 351 H CB 0.674 30.437 29.762 0.001 0.000 1.862 351 H HN -0.108 nan 8.280 nan 0.000 0.536 352 V N -0.285 119.641 119.914 0.020 0.000 2.655 352 V HA 0.593 4.713 4.120 -0.000 0.000 0.300 352 V C 0.899 176.905 176.094 -0.146 0.000 1.044 352 V CA 0.832 63.076 62.300 -0.094 0.000 1.095 352 V CB -0.021 31.769 31.823 -0.054 0.000 0.952 352 V HN 1.507 nan 8.190 nan 0.000 0.485 353 G N 2.938 111.524 108.800 -0.356 0.000 2.570 353 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.686 353 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.686 353 G C -0.761 173.900 174.900 -0.398 0.000 1.257 353 G CA -0.283 44.561 45.100 -0.427 0.000 0.846 353 G HN 0.988 nan 8.290 nan 0.000 0.627 354 F N 0.805 120.716 119.950 -0.066 0.000 2.708 354 F HA 0.428 4.955 4.527 -0.000 0.000 0.300 354 F C 1.232 177.004 175.800 -0.047 0.000 1.118 354 F CA -0.104 57.852 58.000 -0.073 0.000 1.307 354 F CB 0.934 39.909 39.000 -0.043 0.000 0.986 354 F HN 0.383 nan 8.300 nan 0.000 0.522 355 S N 0.648 116.422 115.700 0.123 0.000 2.648 355 S HA 0.580 5.050 4.470 -0.000 0.000 0.305 355 S C -0.247 174.433 174.600 0.134 0.000 1.094 355 S CA -0.689 57.573 58.200 0.103 0.000 0.983 355 S CB 1.990 65.242 63.200 0.087 0.000 1.101 355 S HN 0.041 nan 8.310 nan 0.000 0.514 356 L N 1.842 123.082 121.223 0.027 0.000 2.439 356 L HA 0.239 4.579 4.340 -0.000 0.000 0.269 356 L C 0.678 177.561 176.870 0.022 0.000 1.179 356 L CA -0.305 54.498 54.840 -0.061 0.000 0.828 356 L CB 0.446 42.384 42.059 -0.202 0.000 1.106 356 L HN 0.583 nan 8.230 nan 0.000 0.467 357 S N 1.225 116.898 115.700 -0.045 0.000 2.573 357 S HA -0.031 4.439 4.470 -0.000 0.000 0.277 357 S C 0.773 175.416 174.600 0.070 0.000 1.346 357 S CA -0.482 57.657 58.200 -0.101 0.000 1.034 357 S CB 0.453 63.546 63.200 -0.178 0.000 0.879 357 S HN 0.535 nan 8.310 nan 0.000 0.528 358 F N 2.865 122.791 119.950 -0.040 0.000 2.120 358 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 358 F C 2.602 178.414 175.800 0.019 0.000 1.095 358 F CA 2.132 60.129 58.000 -0.005 0.000 1.249 358 F CB -0.969 38.017 39.000 -0.023 0.000 0.995 358 F HN 0.730 nan 8.300 nan 0.000 0.480 359 T N -1.596 112.981 114.554 0.037 0.000 2.995 359 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 359 T C 1.168 175.829 174.700 -0.065 0.000 1.091 359 T CA 0.132 62.203 62.100 -0.049 0.000 1.128 359 T CB -1.171 67.735 68.868 0.064 0.000 0.891 359 T HN 0.174 nan 8.240 nan 0.000 0.492 360 F N 0.000 119.870 119.950 -0.133 0.000 2.286 360 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 360 F CA 0.000 57.934 58.000 -0.111 0.000 1.383 360 F CB 0.000 38.952 39.000 -0.081 0.000 1.145 360 F HN 0.000 nan 8.300 nan 0.000 0.574