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 1ryw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 D N 3.942 124.362 120.400 0.033 0.000 2.449 2 D HA 0.351 4.991 4.640 -0.000 0.000 0.236 2 D C -0.336 175.968 176.300 0.007 0.000 1.149 2 D CA 0.844 54.862 54.000 0.030 0.000 0.878 2 D CB 0.737 41.550 40.800 0.021 0.000 1.198 2 D HN 0.516 nan 8.370 nan 0.000 0.446 3 K N 0.734 121.156 120.400 0.036 0.000 2.480 3 K HA 0.490 4.810 4.320 -0.000 0.000 0.258 3 K C -0.813 175.910 176.600 0.206 0.000 0.990 3 K CA -0.784 55.529 56.287 0.043 0.000 0.857 3 K CB 2.030 34.571 32.500 0.068 0.000 1.384 3 K HN 0.300 nan 8.250 nan 0.000 0.446 4 F N 1.397 121.354 119.950 0.011 0.000 2.449 4 F HA 0.379 4.906 4.527 -0.000 0.000 0.342 4 F C 0.226 176.027 175.800 0.001 0.000 1.127 4 F CA -0.997 57.005 58.000 0.003 0.000 0.975 4 F CB 1.798 40.792 39.000 -0.010 0.000 1.146 4 F HN 0.227 nan 8.300 nan 0.000 0.444 5 R N 4.307 124.903 120.500 0.160 0.000 2.229 5 R HA 0.570 4.910 4.340 -0.000 0.000 0.332 5 R C -1.708 174.603 176.300 0.018 0.000 0.989 5 R CA -0.354 55.790 56.100 0.073 0.000 0.842 5 R CB 1.194 31.525 30.300 0.051 0.000 1.119 5 R HN 0.465 nan 8.270 nan 0.000 0.456 6 V N 4.552 124.477 119.914 0.017 0.000 2.495 6 V HA 0.323 4.443 4.120 -0.000 0.000 0.298 6 V C -0.439 175.648 176.094 -0.012 0.000 1.031 6 V CA -0.937 61.352 62.300 -0.017 0.000 0.871 6 V CB 1.842 33.658 31.823 -0.012 0.000 0.988 6 V HN 0.699 nan 8.190 nan 0.000 0.432 7 Q N 2.643 122.430 119.800 -0.022 0.000 2.307 7 Q HA 0.673 5.013 4.340 -0.000 0.000 0.262 7 Q C 0.094 176.083 176.000 -0.018 0.000 0.961 7 Q CA -0.139 55.654 55.803 -0.016 0.000 0.882 7 Q CB 2.482 31.210 28.738 -0.016 0.000 1.264 7 Q HN 0.987 nan 8.270 nan 0.000 0.446 8 G N 2.584 111.376 108.800 -0.013 0.000 2.730 8 G HA2 0.736 4.696 3.960 -0.000 0.000 0.289 8 G HA3 0.736 4.696 3.960 -0.000 0.000 0.289 8 G C -2.808 172.085 174.900 -0.011 0.000 1.341 8 G CA -1.176 43.915 45.100 -0.014 0.000 0.932 8 G HN 0.315 nan 8.290 nan 0.000 0.481 9 P HA 0.446 nan 4.420 nan 0.000 0.281 9 P C -0.794 176.499 177.300 -0.012 0.000 1.264 9 P CA -0.191 62.902 63.100 -0.013 0.000 0.824 9 P CB 1.770 33.463 31.700 -0.011 0.000 1.092 10 T N -1.906 112.640 114.554 -0.013 0.000 3.105 10 T HA 0.390 4.740 4.350 -0.000 0.000 0.321 10 T C -0.438 174.256 174.700 -0.010 0.000 1.135 10 T CA -0.987 61.105 62.100 -0.012 0.000 1.053 10 T CB 1.388 70.247 68.868 -0.015 0.000 1.133 10 T HN 0.449 nan 8.240 nan 0.000 0.463 11 R N 2.682 123.178 120.500 -0.008 0.000 2.438 11 R HA 0.500 4.840 4.340 -0.000 0.000 0.287 11 R C -0.637 175.661 176.300 -0.003 0.000 1.077 11 R CA -0.637 55.459 56.100 -0.006 0.000 1.034 11 R CB 0.312 30.609 30.300 -0.005 0.000 0.993 11 R HN 0.697 nan 8.270 nan 0.000 0.459 12 L N 5.978 127.202 121.223 0.002 0.000 2.264 12 L HA 0.323 4.663 4.340 -0.000 0.000 0.289 12 L C -0.134 176.744 176.870 0.013 0.000 1.044 12 L CA -0.278 54.570 54.840 0.014 0.000 0.807 12 L CB 1.178 43.257 42.059 0.033 0.000 1.192 12 L HN 0.746 nan 8.230 nan 0.000 0.425 13 Q N 2.950 122.753 119.800 0.006 0.000 2.522 13 Q HA 0.804 5.144 4.340 -0.000 0.000 0.285 13 Q C -0.426 175.565 176.000 -0.014 0.000 0.982 13 Q CA -0.381 55.419 55.803 -0.004 0.000 0.805 13 Q CB 2.923 31.654 28.738 -0.012 0.000 1.457 13 Q HN 0.663 nan 8.270 nan 0.000 0.394 14 G N 0.992 109.778 108.800 -0.023 0.000 2.204 14 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.153 14 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.153 14 G C -1.425 173.445 174.900 -0.050 0.000 1.295 14 G CA -0.229 44.848 45.100 -0.038 0.000 1.257 14 G HN 0.694 nan 8.290 nan 0.000 0.495 15 E N -1.523 118.635 120.200 -0.070 0.000 2.408 15 E HA 0.635 4.985 4.350 -0.000 0.000 0.275 15 E C -1.610 174.902 176.600 -0.147 0.000 0.935 15 E CA -0.711 55.636 56.400 -0.089 0.000 0.775 15 E CB 3.268 32.920 29.700 -0.080 0.000 1.277 15 E HN 0.957 nan 8.360 nan 0.000 0.455 16 V N 0.973 120.780 119.914 -0.178 0.000 2.932 16 V HA 0.421 4.541 4.120 -0.000 0.000 0.307 16 V C -1.485 174.498 176.094 -0.185 0.000 1.147 16 V CA -0.251 61.874 62.300 -0.292 0.000 0.951 16 V CB 2.425 33.844 31.823 -0.674 0.000 1.031 16 V HN 0.707 nan 8.190 nan 0.000 0.426 17 T N 7.713 122.176 114.554 -0.151 0.000 2.743 17 T HA 0.505 4.855 4.350 -0.000 0.000 0.292 17 T C -0.072 174.597 174.700 -0.052 0.000 0.972 17 T CA -0.258 61.800 62.100 -0.071 0.000 0.967 17 T CB 0.440 69.280 68.868 -0.046 0.000 0.926 17 T HN 0.481 nan 8.240 nan 0.000 0.459 18 I N 3.362 123.926 120.570 -0.011 0.000 2.683 18 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 18 I C 1.211 177.346 176.117 0.030 0.000 1.175 18 I CA 0.237 61.558 61.300 0.035 0.000 1.429 18 I CB 0.003 38.040 38.000 0.060 0.000 1.371 18 I HN 0.552 nan 8.210 nan 0.000 0.569 19 S N 4.295 120.024 115.700 0.047 0.000 2.655 19 S HA 0.463 4.933 4.470 -0.000 0.000 0.265 19 S C 0.699 175.304 174.600 0.008 0.000 1.240 19 S CA -0.558 57.658 58.200 0.026 0.000 0.986 19 S CB 1.185 64.409 63.200 0.041 0.000 0.985 19 S HN 0.851 nan 8.310 nan 0.000 0.562 20 G N 0.166 108.959 108.800 -0.012 0.000 2.554 20 G HA2 0.441 4.401 3.960 -0.000 0.000 0.238 20 G HA3 0.441 4.401 3.960 -0.000 0.000 0.238 20 G C -0.057 174.828 174.900 -0.026 0.000 1.259 20 G CA -0.366 44.719 45.100 -0.026 0.000 0.843 20 G HN 0.905 nan 8.290 nan 0.000 0.582 21 A N 1.369 124.172 122.820 -0.028 0.000 2.522 21 A HA 0.248 4.568 4.320 -0.000 0.000 0.256 21 A C 1.651 179.217 177.584 -0.031 0.000 1.086 21 A CA 0.309 52.327 52.037 -0.031 0.000 0.763 21 A CB 0.268 19.251 19.000 -0.028 0.000 1.024 21 A HN 0.921 nan 8.150 nan 0.000 0.502 22 K N 2.476 122.853 120.400 -0.038 0.000 2.063 22 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 22 K C 0.508 177.124 176.600 0.026 0.000 1.048 22 K CA 1.988 58.264 56.287 -0.018 0.000 0.928 22 K CB -0.118 32.356 32.500 -0.045 0.000 0.713 22 K HN 0.711 nan 8.250 nan 0.000 0.442 23 N N 0.032 118.749 118.700 0.028 0.000 2.449 23 N HA 0.019 4.759 4.740 -0.000 0.000 0.191 23 N C 0.608 176.135 175.510 0.028 0.000 1.161 23 N CA 0.739 53.838 53.050 0.081 0.000 0.863 23 N CB 0.799 39.339 38.487 0.089 0.000 0.980 23 N HN 0.369 nan 8.380 nan 0.000 0.458 24 A N -0.131 122.679 122.820 -0.018 0.000 1.999 24 A HA 0.459 4.778 4.320 -0.000 0.000 0.200 24 A C 2.118 179.642 177.584 -0.100 0.000 1.363 24 A CA 0.671 52.670 52.037 -0.063 0.000 0.844 24 A CB -0.391 18.588 19.000 -0.035 0.000 0.954 24 A HN 0.171 nan 8.150 nan 0.000 0.481 25 A N 0.463 123.240 122.820 -0.072 0.000 1.877 25 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 25 A C 2.123 179.650 177.584 -0.095 0.000 1.186 25 A CA 1.562 53.537 52.037 -0.103 0.000 0.620 25 A CB -0.720 18.237 19.000 -0.072 0.000 0.822 25 A HN 0.442 nan 8.150 nan 0.000 0.443 26 L N -0.046 121.186 121.223 0.015 0.000 1.976 26 L HA -0.121 4.218 4.340 -0.000 0.000 0.209 26 L C -0.189 176.764 176.870 0.138 0.000 1.071 26 L CA 1.861 56.800 54.840 0.166 0.000 0.746 26 L CB -1.540 40.763 42.059 0.407 0.000 0.890 26 L HN 0.294 nan 8.230 nan 0.000 0.432 27 P HA -0.187 nan 4.420 nan 0.000 0.218 27 P C 1.802 178.928 177.300 -0.290 0.000 1.148 27 P CA 1.691 64.438 63.100 -0.588 0.000 0.822 27 P CB 0.026 31.144 31.700 -0.971 0.000 0.784 28 I N -0.756 119.630 120.570 -0.307 0.000 2.286 28 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 28 I C 2.625 178.469 176.117 -0.454 0.000 1.104 28 I CA 0.989 61.983 61.300 -0.509 0.000 1.397 28 I CB -0.534 37.026 38.000 -0.733 0.000 1.072 28 I HN -0.157 nan 8.210 nan 0.000 0.417 29 L N -0.414 120.619 121.223 -0.317 0.000 2.083 29 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 29 L C 2.376 179.102 176.870 -0.240 0.000 1.083 29 L CA 1.594 56.252 54.840 -0.303 0.000 0.752 29 L CB -0.504 41.349 42.059 -0.343 0.000 0.899 29 L HN 0.155 nan 8.230 nan 0.000 0.433 30 F N -0.571 119.363 119.950 -0.027 0.000 2.293 30 F HA -0.073 4.453 4.527 -0.000 0.000 0.297 30 F C 2.551 178.388 175.800 0.062 0.000 1.089 30 F CA 0.797 58.831 58.000 0.056 0.000 1.377 30 F CB -0.412 38.664 39.000 0.127 0.000 1.051 30 F HN -0.018 nan 8.300 nan 0.000 0.511 31 A N 0.112 123.044 122.820 0.187 0.000 2.019 31 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 31 A C 2.314 180.077 177.584 0.298 0.000 1.164 31 A CA 1.396 53.565 52.037 0.218 0.000 0.644 31 A CB -1.093 18.060 19.000 0.256 0.000 0.805 31 A HN 0.291 nan 8.150 nan 0.000 0.449 32 A N -0.305 122.681 122.820 0.276 0.000 2.125 32 A HA 0.010 4.329 4.320 -0.000 0.000 0.219 32 A C 1.933 179.630 177.584 0.188 0.000 1.156 32 A CA 1.155 53.359 52.037 0.278 0.000 0.671 32 A CB -0.565 18.532 19.000 0.163 0.000 0.794 32 A HN 0.496 nan 8.150 nan 0.000 0.459 33 L N -0.808 120.530 121.223 0.191 0.000 2.353 33 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 33 L C 1.996 178.992 176.870 0.210 0.000 1.133 33 L CA 0.605 55.580 54.840 0.224 0.000 0.798 33 L CB -0.316 41.913 42.059 0.283 0.000 0.922 33 L HN 0.421 nan 8.230 nan 0.000 0.445 34 L N -0.598 120.709 121.223 0.140 0.000 2.418 34 L HA 0.101 4.441 4.340 -0.000 0.000 0.218 34 L C 1.355 178.233 176.870 0.013 0.000 1.125 34 L CA -0.310 54.559 54.840 0.048 0.000 0.835 34 L CB -0.357 41.714 42.059 0.020 0.000 0.953 34 L HN 0.103 nan 8.230 nan 0.000 0.454 35 A N 0.492 123.343 122.820 0.052 0.000 2.404 35 A HA 0.134 4.454 4.320 -0.000 0.000 0.273 35 A C 0.933 178.547 177.584 0.049 0.000 1.144 35 A CA -0.244 51.811 52.037 0.030 0.000 0.806 35 A CB 0.138 19.170 19.000 0.053 0.000 1.080 35 A HN 0.324 nan 8.150 nan 0.000 0.509 36 E N 1.509 121.722 120.200 0.021 0.000 2.478 36 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 36 E C -0.100 176.527 176.600 0.044 0.000 1.045 36 E CA 0.526 56.947 56.400 0.036 0.000 0.868 36 E CB 0.378 30.084 29.700 0.009 0.000 0.885 36 E HN 0.824 nan 8.360 nan 0.000 0.505 37 E N 0.611 120.835 120.200 0.040 0.000 2.336 37 E HA 0.298 4.648 4.350 -0.000 0.000 0.267 37 E C -2.690 173.950 176.600 0.066 0.000 0.906 37 E CA -2.621 53.806 56.400 0.046 0.000 0.781 37 E CB 1.762 31.480 29.700 0.030 0.000 1.261 37 E HN -0.181 nan 8.360 nan 0.000 0.436 38 P HA -0.063 nan 4.420 nan 0.000 0.263 38 P C -1.129 176.244 177.300 0.122 0.000 1.175 38 P CA 0.351 63.516 63.100 0.108 0.000 0.761 38 P CB 0.416 32.182 31.700 0.110 0.000 0.794 39 V N 3.106 123.108 119.914 0.147 0.000 2.735 39 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 39 V C -0.120 176.047 176.094 0.121 0.000 1.061 39 V CA -0.498 61.895 62.300 0.154 0.000 0.913 39 V CB 2.134 34.075 31.823 0.198 0.000 1.005 39 V HN 0.482 nan 8.190 nan 0.000 0.428 40 E N 3.847 124.089 120.200 0.071 0.000 2.191 40 E HA 0.578 4.928 4.350 -0.000 0.000 0.263 40 E C -1.585 174.929 176.600 -0.143 0.000 0.881 40 E CA -0.582 55.723 56.400 -0.159 0.000 0.757 40 E CB 1.635 31.255 29.700 -0.135 0.000 1.147 40 E HN 0.639 nan 8.360 nan 0.000 0.414 41 I N 4.308 124.712 120.570 -0.276 0.000 2.330 41 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 41 I C 0.083 176.029 176.117 -0.286 0.000 1.001 41 I CA -0.569 60.608 61.300 -0.205 0.000 1.193 41 I CB 1.536 39.390 38.000 -0.243 0.000 1.345 41 I HN 0.402 nan 8.210 nan 0.000 0.461 42 Q N 3.963 123.641 119.800 -0.203 0.000 2.205 42 Q HA 0.318 4.658 4.340 -0.000 0.000 0.249 42 Q C 0.223 176.130 176.000 -0.156 0.000 0.948 42 Q CA -0.751 54.928 55.803 -0.206 0.000 0.895 42 Q CB 0.927 29.569 28.738 -0.159 0.000 1.249 42 Q HN 0.578 nan 8.270 nan 0.000 0.458 43 N N -0.400 118.220 118.700 -0.132 0.000 2.758 43 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 43 N C -1.727 173.731 175.510 -0.087 0.000 1.076 43 N CA 0.228 53.223 53.050 -0.092 0.000 0.696 43 N CB -0.898 37.539 38.487 -0.083 0.000 0.979 43 N HN 0.326 nan 8.380 nan 0.000 0.550 44 V N 1.871 121.723 119.914 -0.105 0.000 2.432 44 V HA 0.393 4.513 4.120 -0.000 0.000 0.271 44 V C -1.379 174.682 176.094 -0.055 0.000 1.046 44 V CA -1.057 61.188 62.300 -0.092 0.000 0.945 44 V CB 1.196 32.945 31.823 -0.124 0.000 0.992 44 V HN 0.217 nan 8.190 nan 0.000 0.471 45 P HA 0.169 nan 4.420 nan 0.000 0.272 45 P C -0.797 176.502 177.300 -0.001 0.000 1.223 45 P CA -0.490 62.604 63.100 -0.010 0.000 0.784 45 P CB 0.901 32.597 31.700 -0.006 0.000 0.923 46 K N 2.547 122.959 120.400 0.019 0.000 2.206 46 K HA 0.401 4.720 4.320 -0.000 0.000 0.268 46 K C -0.200 176.425 176.600 0.041 0.000 1.111 46 K CA -0.207 56.096 56.287 0.028 0.000 0.955 46 K CB -0.054 32.468 32.500 0.037 0.000 1.406 46 K HN 0.424 nan 8.250 nan 0.000 0.427 47 L N 1.144 122.386 121.223 0.032 0.000 2.333 47 L HA 0.362 4.702 4.340 -0.000 0.000 0.263 47 L C 1.381 178.275 176.870 0.040 0.000 1.014 47 L CA -1.087 53.779 54.840 0.042 0.000 0.820 47 L CB 1.297 43.373 42.059 0.029 0.000 1.352 47 L HN 0.287 nan 8.230 nan 0.000 0.421 48 K N 0.746 121.176 120.400 0.050 0.000 2.063 48 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 48 K C 1.035 177.659 176.600 0.040 0.000 1.048 48 K CA 1.810 58.124 56.287 0.046 0.000 0.928 48 K CB 0.075 32.610 32.500 0.059 0.000 0.713 48 K HN 0.627 nan 8.250 nan 0.000 0.442 49 D N 0.545 120.973 120.400 0.046 0.000 2.219 49 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 49 D C 1.819 178.147 176.300 0.047 0.000 0.970 49 D CA 0.502 54.535 54.000 0.055 0.000 0.851 49 D CB 0.046 40.887 40.800 0.069 0.000 0.943 49 D HN 0.175 nan 8.370 nan 0.000 0.488 50 I N 1.260 121.845 120.570 0.025 0.000 2.353 50 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 50 I C 1.578 177.689 176.117 -0.010 0.000 1.119 50 I CA 1.015 62.313 61.300 -0.003 0.000 1.417 50 I CB -0.677 37.316 38.000 -0.013 0.000 1.078 50 I HN -0.052 nan 8.210 nan 0.000 0.421 51 D N 0.575 120.979 120.400 0.007 0.000 2.117 51 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 51 D C 2.117 178.420 176.300 0.006 0.000 0.982 51 D CA 1.407 55.410 54.000 0.006 0.000 0.828 51 D CB -0.200 40.609 40.800 0.014 0.000 0.967 51 D HN 0.253 nan 8.370 nan 0.000 0.464 52 T N 0.442 115.006 114.554 0.018 0.000 2.777 52 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 52 T C 2.045 176.763 174.700 0.030 0.000 1.040 52 T CA 1.456 63.573 62.100 0.028 0.000 1.141 52 T CB -0.375 68.518 68.868 0.042 0.000 0.868 52 T HN 0.134 nan 8.240 nan 0.000 0.444 53 T N 2.140 116.701 114.554 0.012 0.000 2.708 53 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 53 T C 2.044 176.670 174.700 -0.122 0.000 1.037 53 T CA 1.073 63.128 62.100 -0.076 0.000 1.146 53 T CB -0.343 68.421 68.868 -0.172 0.000 0.865 53 T HN 0.293 nan 8.240 nan 0.000 0.435 54 M N 0.592 120.142 119.600 -0.083 0.000 2.213 54 M HA -0.076 4.403 4.480 -0.000 0.000 0.263 54 M C 2.379 178.659 176.300 -0.033 0.000 1.062 54 M CA 1.358 56.619 55.300 -0.064 0.000 1.105 54 M CB -0.240 32.340 32.600 -0.034 0.000 1.385 54 M HN 0.133 nan 8.290 nan 0.000 0.417 55 K N 0.933 121.324 120.400 -0.015 0.000 2.025 55 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 55 K C 1.911 178.516 176.600 0.007 0.000 1.049 55 K CA 1.053 57.340 56.287 0.000 0.000 0.933 55 K CB -0.128 32.377 32.500 0.009 0.000 0.714 55 K HN 0.304 nan 8.250 nan 0.000 0.438 56 L N 1.261 122.498 121.223 0.022 0.000 2.017 56 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 56 L C 2.164 179.054 176.870 0.033 0.000 1.073 56 L CA 1.135 56.009 54.840 0.057 0.000 0.745 56 L CB -0.179 41.963 42.059 0.138 0.000 0.894 56 L HN 0.256 nan 8.230 nan 0.000 0.432 57 L N -0.798 120.417 121.223 -0.013 0.000 2.012 57 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 57 L C 2.520 179.377 176.870 -0.020 0.000 1.073 57 L CA 1.899 56.724 54.840 -0.026 0.000 0.748 57 L CB -1.028 40.984 42.059 -0.080 0.000 0.891 57 L HN 0.276 nan 8.230 nan 0.000 0.431 58 T N -1.196 113.347 114.554 -0.019 0.000 2.720 58 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 58 T C 1.869 176.552 174.700 -0.027 0.000 1.037 58 T CA 1.222 63.311 62.100 -0.017 0.000 1.144 58 T CB -0.193 68.669 68.868 -0.010 0.000 0.864 58 T HN 0.320 nan 8.240 nan 0.000 0.444 59 Q N 0.346 120.134 119.800 -0.020 0.000 2.364 59 Q HA -0.003 4.337 4.340 -0.000 0.000 0.209 59 Q C 1.792 177.756 176.000 -0.059 0.000 0.977 59 Q CA 0.872 56.660 55.803 -0.025 0.000 0.885 59 Q CB -0.173 28.566 28.738 0.001 0.000 0.941 59 Q HN 0.519 nan 8.270 nan 0.000 0.464 60 L N -1.450 119.731 121.223 -0.070 0.000 2.592 60 L HA 0.177 4.517 4.340 -0.000 0.000 0.227 60 L C 1.211 177.963 176.870 -0.196 0.000 1.127 60 L CA 0.589 55.340 54.840 -0.147 0.000 0.884 60 L CB 0.306 42.306 42.059 -0.098 0.000 1.065 60 L HN 0.387 nan 8.230 nan 0.000 0.457 61 G N -0.247 108.480 108.800 -0.121 0.000 2.179 61 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.220 61 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.220 61 G C 0.289 175.155 174.900 -0.058 0.000 0.990 61 G CA 0.012 45.048 45.100 -0.107 0.000 0.646 61 G HN 0.226 nan 8.290 nan 0.000 0.517 62 T N 1.408 115.940 114.554 -0.037 0.000 2.910 62 T HA 0.484 4.834 4.350 -0.000 0.000 0.293 62 T C 0.400 175.105 174.700 0.008 0.000 1.015 62 T CA 0.023 62.123 62.100 0.000 0.000 1.094 62 T CB 1.191 70.066 68.868 0.013 0.000 0.968 62 T HN 0.266 nan 8.240 nan 0.000 0.521 63 K N 2.234 122.649 120.400 0.026 0.000 2.262 63 K HA 0.543 4.863 4.320 -0.000 0.000 0.282 63 K C -1.002 175.628 176.600 0.050 0.000 1.066 63 K CA -0.491 55.815 56.287 0.032 0.000 0.901 63 K CB 0.988 33.510 32.500 0.036 0.000 1.089 63 K HN 0.248 nan 8.250 nan 0.000 0.476 64 V N 3.320 123.261 119.914 0.045 0.000 2.709 64 V HA 0.374 4.493 4.120 -0.000 0.000 0.308 64 V C -0.616 175.528 176.094 0.083 0.000 1.062 64 V CA -0.852 61.486 62.300 0.063 0.000 0.901 64 V CB 1.844 33.682 31.823 0.025 0.000 1.003 64 V HN 0.893 nan 8.190 nan 0.000 0.425 65 E N 4.162 124.451 120.200 0.148 0.000 2.392 65 E HA 0.820 5.170 4.350 -0.000 0.000 0.279 65 E C -1.181 175.606 176.600 0.312 0.000 0.964 65 E CA -1.308 55.198 56.400 0.177 0.000 0.777 65 E CB 3.001 32.781 29.700 0.132 0.000 1.249 65 E HN 0.748 nan 8.360 nan 0.000 0.449 66 R N 0.138 120.802 120.500 0.272 0.000 2.795 66 R HA 0.393 4.733 4.340 -0.000 0.000 0.268 66 R C -0.694 175.789 176.300 0.305 0.000 1.041 66 R CA -0.514 55.773 56.100 0.311 0.000 0.927 66 R CB 0.638 31.003 30.300 0.107 0.000 1.235 66 R HN 0.551 nan 8.270 nan 0.000 0.463 67 D N 0.515 121.091 120.400 0.293 0.000 2.101 67 D HA 0.059 4.699 4.640 -0.000 0.000 0.286 67 D C 1.409 177.776 176.300 0.112 0.000 1.145 67 D CA 0.963 55.093 54.000 0.216 0.000 0.883 67 D CB -1.020 39.918 40.800 0.230 0.000 0.935 67 D HN 0.621 nan 8.370 nan 0.000 0.313 68 G N -1.089 107.753 108.800 0.070 0.000 2.683 68 G HA2 0.178 4.138 3.960 -0.000 0.000 0.213 68 G HA3 0.178 4.138 3.960 -0.000 0.000 0.213 68 G C 0.459 175.280 174.900 -0.133 0.000 1.142 68 G CA 0.249 45.338 45.100 -0.017 0.000 0.793 68 G HN 0.366 nan 8.290 nan 0.000 0.534 69 S N -1.241 114.287 115.700 -0.286 0.000 2.739 69 S HA 0.668 5.138 4.470 -0.000 0.000 0.306 69 S C -0.891 173.307 174.600 -0.669 0.000 1.115 69 S CA -0.521 57.303 58.200 -0.626 0.000 0.985 69 S CB 2.423 64.951 63.200 -1.120 0.000 1.133 69 S HN -0.061 nan 8.310 nan 0.000 0.541 70 V N 1.780 121.308 119.914 -0.642 0.000 2.444 70 V HA 0.355 4.474 4.120 -0.000 0.000 0.294 70 V C -1.116 174.736 176.094 -0.403 0.000 1.022 70 V CA -0.588 61.508 62.300 -0.340 0.000 0.850 70 V CB 1.136 32.844 31.823 -0.191 0.000 0.992 70 V HN 0.772 nan 8.190 nan 0.000 0.426 71 W N 5.605 126.904 121.300 -0.002 0.000 2.335 71 W HA 0.576 5.236 4.660 -0.000 0.000 0.307 71 W C -0.743 175.782 176.519 0.008 0.000 1.117 71 W CA -0.589 56.762 57.345 0.011 0.000 1.228 71 W CB 1.611 31.078 29.460 0.012 0.000 1.240 71 W HN 0.297 nan 8.180 nan 0.000 0.468 72 I N 3.161 123.833 120.570 0.171 0.000 2.509 72 I HA 0.175 4.345 4.170 -0.000 0.000 0.293 72 I C -0.444 175.749 176.117 0.127 0.000 1.020 72 I CA -0.583 60.787 61.300 0.116 0.000 1.088 72 I CB 1.924 39.964 38.000 0.066 0.000 1.267 72 I HN 0.282 nan 8.210 nan 0.000 0.430 73 D N 5.123 125.585 120.400 0.102 0.000 2.389 73 D HA 0.489 5.129 4.640 -0.000 0.000 0.256 73 D C -0.101 176.248 176.300 0.081 0.000 1.239 73 D CA -0.291 53.764 54.000 0.092 0.000 0.925 73 D CB 1.608 42.456 40.800 0.080 0.000 1.145 73 D HN 0.607 nan 8.370 nan 0.000 0.542 74 A N 2.535 125.413 122.820 0.097 0.000 2.507 74 A HA 0.169 4.489 4.320 -0.000 0.000 0.270 74 A C 1.748 179.417 177.584 0.141 0.000 1.318 74 A CA 0.314 52.420 52.037 0.116 0.000 0.924 74 A CB -0.283 18.805 19.000 0.145 0.000 1.061 74 A HN 0.467 nan 8.150 nan 0.000 0.516 75 S N 0.054 115.819 115.700 0.108 0.000 2.400 75 S HA -0.142 4.328 4.470 -0.000 0.000 0.232 75 S C 0.754 175.435 174.600 0.134 0.000 1.025 75 S CA 1.126 59.391 58.200 0.109 0.000 0.993 75 S CB -0.388 62.858 63.200 0.076 0.000 0.808 75 S HN 0.682 nan 8.310 nan 0.000 0.478 76 N N -0.059 118.703 118.700 0.104 0.000 2.354 76 N HA 0.436 5.176 4.740 -0.000 0.000 0.287 76 N C -2.067 173.450 175.510 0.011 0.000 1.016 76 N CA -0.504 52.593 53.050 0.077 0.000 0.871 76 N CB 2.183 40.691 38.487 0.036 0.000 1.299 76 N HN 0.041 nan 8.380 nan 0.000 0.482 77 V N 3.911 123.780 119.914 -0.075 0.000 2.409 77 V HA 0.206 4.325 4.120 -0.000 0.000 0.290 77 V C 0.185 175.977 176.094 -0.503 0.000 1.017 77 V CA -0.771 61.325 62.300 -0.341 0.000 0.841 77 V CB 1.115 32.560 31.823 -0.631 0.000 1.003 77 V HN 0.819 nan 8.190 nan 0.000 0.426 78 N N 2.428 120.864 118.700 -0.439 0.000 2.230 78 N HA 0.150 4.890 4.740 -0.000 0.000 0.202 78 N C -0.102 175.078 175.510 -0.550 0.000 1.119 78 N CA -0.179 52.635 53.050 -0.393 0.000 0.851 78 N CB 0.267 38.640 38.487 -0.190 0.000 0.990 78 N HN 0.610 nan 8.380 nan 0.000 0.497 79 N N -0.470 117.698 118.700 -0.888 0.000 2.446 79 N HA 0.300 5.040 4.740 -0.000 0.000 0.272 79 N C -1.860 173.083 175.510 -0.945 0.000 1.127 79 N CA -0.740 51.876 53.050 -0.723 0.000 0.896 79 N CB 0.700 39.002 38.487 -0.309 0.000 1.658 79 N HN -0.005 nan 8.380 nan 0.000 0.483 80 F N 0.305 120.206 119.950 -0.082 0.000 2.805 80 F HA 0.441 4.968 4.527 -0.000 0.000 0.317 80 F C 0.689 176.494 175.800 0.009 0.000 1.146 80 F CA -0.492 57.476 58.000 -0.054 0.000 1.265 80 F CB 0.646 39.607 39.000 -0.064 0.000 0.992 80 F HN 0.323 nan 8.300 nan 0.000 0.511 81 S N 1.108 116.873 115.700 0.108 0.000 2.521 81 S HA 0.841 5.310 4.470 -0.000 0.000 0.295 81 S C -0.620 174.063 174.600 0.137 0.000 1.098 81 S CA -0.483 57.791 58.200 0.124 0.000 0.999 81 S CB 1.309 64.541 63.200 0.053 0.000 1.034 81 S HN 0.179 nan 8.310 nan 0.000 0.483 82 A N 6.113 129.052 122.820 0.198 0.000 2.280 82 A HA 0.672 4.992 4.320 -0.000 0.000 0.320 82 A C -2.526 175.214 177.584 0.260 0.000 1.366 82 A CA -1.778 50.370 52.037 0.184 0.000 0.938 82 A CB 0.164 19.254 19.000 0.150 0.000 1.157 82 A HN 0.677 nan 8.150 nan 0.000 0.536 83 P HA -0.085 nan 4.420 nan 0.000 0.269 83 P C 0.269 177.695 177.300 0.210 0.000 1.215 83 P CA 0.127 63.406 63.100 0.297 0.000 0.780 83 P CB 0.590 32.404 31.700 0.189 0.000 0.898 84 Y N 2.354 122.716 120.300 0.103 0.000 2.165 84 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 84 Y C 1.894 177.786 175.900 -0.012 0.000 1.155 84 Y CA 2.161 60.232 58.100 -0.049 0.000 1.164 84 Y CB -0.714 37.716 38.460 -0.049 0.000 0.978 84 Y HN 0.268 nan 8.280 nan 0.000 0.513 85 D N 0.065 120.525 120.400 0.101 0.000 2.182 85 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 85 D C 2.167 178.424 176.300 -0.070 0.000 0.986 85 D CA 1.522 55.525 54.000 0.005 0.000 0.847 85 D CB -0.187 40.659 40.800 0.078 0.000 0.942 85 D HN 0.432 nan 8.370 nan 0.000 0.467 86 L N -0.329 120.871 121.223 -0.038 0.000 2.145 86 L HA -0.039 4.301 4.340 -0.000 0.000 0.201 86 L C 2.460 179.283 176.870 -0.078 0.000 1.075 86 L CA 0.242 55.064 54.840 -0.030 0.000 0.773 86 L CB -0.199 41.877 42.059 0.028 0.000 0.936 86 L HN -0.120 nan 8.230 nan 0.000 0.451 87 V N 1.310 121.160 119.914 -0.106 0.000 2.392 87 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 87 V C 2.513 178.464 176.094 -0.237 0.000 1.059 87 V CA 2.273 64.482 62.300 -0.153 0.000 1.051 87 V CB -0.886 30.837 31.823 -0.167 0.000 0.658 87 V HN 0.591 nan 8.190 nan 0.000 0.455 88 K N 1.296 121.466 120.400 -0.383 0.000 2.280 88 K HA -0.171 4.149 4.320 -0.000 0.000 0.202 88 K C 1.776 178.245 176.600 -0.219 0.000 1.047 88 K CA 1.834 57.873 56.287 -0.414 0.000 0.942 88 K CB -0.579 31.523 32.500 -0.663 0.000 0.739 88 K HN 0.614 nan 8.250 nan 0.000 0.457 89 T N -2.208 112.252 114.554 -0.157 0.000 3.044 89 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 89 T C 0.689 175.358 174.700 -0.051 0.000 1.081 89 T CA -0.294 61.755 62.100 -0.085 0.000 1.040 89 T CB 0.057 68.887 68.868 -0.064 0.000 0.962 89 T HN 0.269 nan 8.240 nan 0.000 0.506 90 M N 2.006 121.566 119.600 -0.066 0.000 2.295 90 M HA 0.342 4.821 4.480 -0.000 0.000 0.219 90 M C 0.461 176.705 176.300 -0.092 0.000 0.981 90 M CA -0.650 54.624 55.300 -0.044 0.000 1.019 90 M CB 1.215 33.827 32.600 0.021 0.000 2.528 90 M HN 0.139 nan 8.290 nan 0.000 0.445 91 R N 1.775 122.190 120.500 -0.141 0.000 2.200 91 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 91 R C 1.341 177.452 176.300 -0.316 0.000 1.127 91 R CA 1.610 57.581 56.100 -0.214 0.000 0.989 91 R CB -0.645 29.527 30.300 -0.215 0.000 0.869 91 R HN 0.637 nan 8.270 nan 0.000 0.459 92 A N 1.296 123.940 122.820 -0.293 0.000 2.131 92 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 92 A C 2.058 179.365 177.584 -0.461 0.000 1.158 92 A CA 1.592 53.358 52.037 -0.453 0.000 0.665 92 A CB -0.542 18.400 19.000 -0.097 0.000 0.795 92 A HN 0.424 nan 8.150 nan 0.000 0.460 93 S N -0.454 115.087 115.700 -0.265 0.000 2.419 93 S HA -0.184 4.285 4.470 -0.000 0.000 0.235 93 S C 1.685 176.043 174.600 -0.404 0.000 1.019 93 S CA 1.282 59.333 58.200 -0.248 0.000 0.982 93 S CB -0.442 62.736 63.200 -0.038 0.000 0.789 93 S HN 0.614 nan 8.310 nan 0.000 0.490 94 I N 0.936 121.257 120.570 -0.414 0.000 2.399 94 I HA -0.145 4.025 4.170 -0.000 0.000 0.254 94 I C 1.335 177.288 176.117 -0.273 0.000 1.146 94 I CA 0.945 62.026 61.300 -0.365 0.000 1.412 94 I CB -0.393 37.291 38.000 -0.527 0.000 1.076 94 I HN 0.400 nan 8.210 nan 0.000 0.432 95 W N 0.367 121.365 121.300 -0.505 0.000 2.848 95 W HA 0.116 4.776 4.660 -0.000 0.000 0.241 95 W C 2.241 178.532 176.519 -0.380 0.000 1.289 95 W CA 0.699 57.774 57.345 -0.451 0.000 1.396 95 W CB -1.131 27.994 29.460 -0.559 0.000 1.138 95 W HN 0.312 nan 8.180 nan 0.000 0.677 96 A N -0.634 122.090 122.820 -0.159 0.000 2.081 96 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 96 A C 1.913 179.610 177.584 0.189 0.000 1.158 96 A CA 0.476 52.620 52.037 0.178 0.000 0.724 96 A CB -0.449 18.716 19.000 0.275 0.000 0.826 96 A HN 0.108 nan 8.150 nan 0.000 0.463 97 L N 0.426 121.724 121.223 0.125 0.000 1.970 97 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 97 L C 2.465 179.431 176.870 0.161 0.000 1.071 97 L CA 2.460 57.383 54.840 0.138 0.000 0.751 97 L CB -1.174 40.943 42.059 0.098 0.000 0.889 97 L HN 0.321 nan 8.230 nan 0.000 0.432 98 G N -0.729 108.172 108.800 0.168 0.000 2.514 98 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 98 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 98 G C -0.633 174.355 174.900 0.146 0.000 1.198 98 G CA 1.063 46.253 45.100 0.150 0.000 0.780 98 G HN 0.388 nan 8.290 nan 0.000 0.565 99 P HA -0.028 nan 4.420 nan 0.000 0.215 99 P C 2.097 179.539 177.300 0.237 0.000 1.153 99 P CA 0.701 63.911 63.100 0.183 0.000 0.853 99 P CB -0.100 31.736 31.700 0.228 0.000 0.788 100 L N -1.094 120.313 121.223 0.305 0.000 2.017 100 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 100 L C 2.470 179.543 176.870 0.338 0.000 1.073 100 L CA 1.322 56.424 54.840 0.438 0.000 0.745 100 L CB -1.128 41.158 42.059 0.379 0.000 0.894 100 L HN -0.093 nan 8.230 nan 0.000 0.432 101 V N -0.231 119.800 119.914 0.195 0.000 2.548 101 V HA -0.168 3.951 4.120 -0.000 0.000 0.249 101 V C 2.514 178.652 176.094 0.072 0.000 1.055 101 V CA 1.658 64.027 62.300 0.115 0.000 1.065 101 V CB 0.057 31.928 31.823 0.080 0.000 0.681 101 V HN 0.402 nan 8.190 nan 0.000 0.462 102 A N -0.011 122.848 122.820 0.066 0.000 1.930 102 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 102 A C 2.423 179.974 177.584 -0.054 0.000 1.175 102 A CA 1.838 53.880 52.037 0.010 0.000 0.627 102 A CB -0.481 18.527 19.000 0.014 0.000 0.815 102 A HN 0.583 nan 8.150 nan 0.000 0.443 103 R N -2.259 118.181 120.500 -0.100 0.000 2.146 103 R HA 0.153 4.493 4.340 -0.000 0.000 0.206 103 R C 0.641 176.627 176.300 -0.523 0.000 1.049 103 R CA 0.777 56.654 56.100 -0.371 0.000 1.029 103 R CB 0.024 29.969 30.300 -0.592 0.000 0.949 103 R HN 0.467 nan 8.270 nan 0.000 0.471 104 F N -0.712 119.256 119.950 0.031 0.000 2.682 104 F HA 0.401 4.928 4.527 -0.000 0.000 0.308 104 F C 1.263 176.991 175.800 -0.120 0.000 1.093 104 F CA 0.294 58.276 58.000 -0.030 0.000 1.244 104 F CB 1.332 40.325 39.000 -0.012 0.000 1.052 104 F HN 0.226 nan 8.300 nan 0.000 0.573 105 G N 1.359 110.187 108.800 0.047 0.000 2.155 105 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 105 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 105 G C 0.011 174.890 174.900 -0.036 0.000 0.983 105 G CA 0.581 45.678 45.100 -0.005 0.000 0.676 105 G HN 0.553 nan 8.290 nan 0.000 0.528 106 Q N -1.898 117.876 119.800 -0.042 0.000 2.527 106 Q HA 0.639 4.979 4.340 -0.000 0.000 0.280 106 Q C -0.527 175.466 176.000 -0.012 0.000 0.977 106 Q CA -0.483 55.265 55.803 -0.093 0.000 0.837 106 Q CB 1.656 30.239 28.738 -0.258 0.000 1.454 106 Q HN 1.687 nan 8.270 nan 0.000 0.387 107 G N 1.378 110.210 108.800 0.052 0.000 2.473 107 G HA2 0.456 4.416 3.960 -0.000 0.000 0.298 107 G HA3 0.456 4.416 3.960 -0.000 0.000 0.298 107 G C -2.157 172.822 174.900 0.133 0.000 1.575 107 G CA -0.468 44.722 45.100 0.151 0.000 0.846 107 G HN 0.837 nan 8.290 nan 0.000 0.585 108 Q N -0.512 119.387 119.800 0.164 0.000 2.315 108 Q HA 0.777 5.117 4.340 -0.000 0.000 0.273 108 Q C -1.751 174.383 176.000 0.223 0.000 1.053 108 Q CA -1.120 54.787 55.803 0.173 0.000 0.817 108 Q CB 2.919 31.746 28.738 0.148 0.000 1.326 108 Q HN 0.580 nan 8.270 nan 0.000 0.423 109 V N 1.284 121.329 119.914 0.218 0.000 2.760 109 V HA 0.390 4.510 4.120 -0.000 0.000 0.309 109 V C -0.255 175.894 176.094 0.091 0.000 1.077 109 V CA -0.839 61.561 62.300 0.167 0.000 0.910 109 V CB 1.974 33.826 31.823 0.049 0.000 1.008 109 V HN 0.923 nan 8.190 nan 0.000 0.424 110 S N 4.155 119.815 115.700 -0.067 0.000 2.544 110 S HA 0.184 4.654 4.470 -0.000 0.000 0.290 110 S C -0.022 174.444 174.600 -0.224 0.000 1.276 110 S CA -0.332 57.582 58.200 -0.476 0.000 1.075 110 S CB -0.016 62.918 63.200 -0.443 0.000 0.849 110 S HN 0.642 nan 8.310 nan 0.000 0.494 111 L N 8.102 129.210 121.223 -0.192 0.000 2.562 111 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 111 L C -1.718 175.085 176.870 -0.110 0.000 1.167 111 L CA -1.415 53.355 54.840 -0.116 0.000 0.917 111 L CB 0.414 42.429 42.059 -0.073 0.000 1.187 111 L HN 0.574 nan 8.230 nan 0.000 0.482 112 P HA 0.048 nan 4.420 nan 0.000 0.265 112 P C 0.076 177.324 177.300 -0.087 0.000 1.193 112 P CA -0.105 62.914 63.100 -0.134 0.000 0.765 112 P CB 0.732 32.329 31.700 -0.172 0.000 0.823 113 G N 2.175 110.934 108.800 -0.069 0.000 2.504 113 G HA2 0.456 4.415 3.960 -0.000 0.000 0.257 113 G HA3 0.456 4.415 3.960 -0.000 0.000 0.257 113 G C 0.237 175.111 174.900 -0.043 0.000 1.451 113 G CA -0.386 44.695 45.100 -0.031 0.000 1.059 113 G HN 0.618 nan 8.290 nan 0.000 0.550 114 G N -1.043 107.742 108.800 -0.026 0.000 2.544 114 G HA2 0.400 4.360 3.960 -0.000 0.000 0.242 114 G HA3 0.400 4.360 3.960 -0.000 0.000 0.242 114 G C 0.044 174.918 174.900 -0.043 0.000 1.247 114 G CA 0.551 45.634 45.100 -0.028 0.000 0.840 114 G HN 0.688 nan 8.290 nan 0.000 0.578 115 S N -0.222 115.446 115.700 -0.053 0.000 2.621 115 S HA 0.565 5.035 4.470 -0.000 0.000 0.302 115 S C 1.510 176.065 174.600 -0.075 0.000 1.093 115 S CA 0.181 58.334 58.200 -0.077 0.000 1.017 115 S CB 1.521 64.651 63.200 -0.118 0.000 1.077 115 S HN 1.123 nan 8.310 nan 0.000 0.517 116 A N 2.641 125.412 122.820 -0.081 0.000 1.940 116 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 116 A C 1.750 179.271 177.584 -0.104 0.000 1.176 116 A CA 1.944 53.934 52.037 -0.077 0.000 0.631 116 A CB -0.988 17.961 19.000 -0.086 0.000 0.814 116 A HN 1.030 nan 8.150 nan 0.000 0.446 117 I N -4.762 115.703 120.570 -0.174 0.000 3.875 117 I HA 0.551 4.721 4.170 -0.000 0.000 0.329 117 I C 0.650 176.691 176.117 -0.126 0.000 1.295 117 I CA 0.293 61.474 61.300 -0.199 0.000 1.129 117 I CB -0.176 37.591 38.000 -0.388 0.000 1.008 117 I HN 0.293 nan 8.210 nan 0.000 0.413 118 G N 0.148 108.904 108.800 -0.073 0.000 2.336 118 G HA2 0.372 4.332 3.960 -0.000 0.000 0.300 118 G HA3 0.372 4.332 3.960 -0.000 0.000 0.300 118 G C 0.058 174.968 174.900 0.017 0.000 1.375 118 G CA -0.283 44.832 45.100 0.024 0.000 0.885 118 G HN 0.039 nan 8.290 nan 0.000 0.599 119 A N -0.261 122.581 122.820 0.036 0.000 1.930 119 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 119 A C 1.573 179.170 177.584 0.021 0.000 1.175 119 A CA 1.823 53.870 52.037 0.018 0.000 0.627 119 A CB -0.568 18.441 19.000 0.016 0.000 0.815 119 A HN 1.497 nan 8.150 nan 0.000 0.443 120 R N -0.985 119.555 120.500 0.067 0.000 3.127 120 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 120 R C -2.273 174.038 176.300 0.019 0.000 0.896 120 R CA 0.399 56.546 56.100 0.078 0.000 0.624 120 R CB -1.987 28.357 30.300 0.073 0.000 1.154 120 R HN 0.557 nan 8.270 nan 0.000 0.474 121 P HA 0.033 nan 4.420 nan 0.000 0.271 121 P C 0.608 177.912 177.300 0.008 0.000 1.244 121 P CA 0.012 63.113 63.100 0.001 0.000 0.793 121 P CB 0.733 32.439 31.700 0.009 0.000 0.984 122 V N -3.260 116.651 119.914 -0.006 0.000 2.988 122 V HA 0.101 4.221 4.120 -0.000 0.000 0.356 122 V C 1.386 177.553 176.094 0.122 0.000 1.380 122 V CA 0.105 62.417 62.300 0.020 0.000 1.184 122 V CB -0.551 31.129 31.823 -0.237 0.000 1.204 122 V HN 0.501 nan 8.190 nan 0.000 0.530 123 D N 1.554 122.011 120.400 0.094 0.000 2.158 123 D HA -0.276 4.364 4.640 -0.000 0.000 0.197 123 D C 1.722 178.122 176.300 0.166 0.000 0.995 123 D CA 1.783 55.844 54.000 0.102 0.000 0.846 123 D CB -0.110 40.719 40.800 0.048 0.000 0.941 123 D HN 0.551 nan 8.370 nan 0.000 0.456 124 L N -0.213 121.111 121.223 0.168 0.000 2.156 124 L HA -0.092 4.247 4.340 -0.000 0.000 0.208 124 L C 2.804 179.807 176.870 0.222 0.000 1.095 124 L CA 0.831 55.778 54.840 0.179 0.000 0.770 124 L CB -0.614 41.495 42.059 0.083 0.000 0.914 124 L HN 0.125 nan 8.230 nan 0.000 0.439 125 H N 0.045 119.182 119.070 0.112 0.000 2.326 125 H HA -0.107 4.448 4.556 -0.000 0.000 0.301 125 H C 2.453 177.842 175.328 0.102 0.000 1.081 125 H CA 1.682 57.792 56.048 0.103 0.000 1.334 125 H CB 0.142 29.942 29.762 0.063 0.000 1.385 125 H HN 0.312 nan 8.280 nan 0.000 0.504 126 I N 0.356 121.074 120.570 0.247 0.000 2.226 126 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 126 I C 2.515 178.726 176.117 0.157 0.000 1.100 126 I CA 1.037 62.435 61.300 0.163 0.000 1.374 126 I CB -0.332 37.747 38.000 0.132 0.000 1.057 126 I HN 0.078 nan 8.210 nan 0.000 0.413 127 F N 1.879 121.866 119.950 0.060 0.000 2.095 127 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 127 F C 2.326 178.148 175.800 0.036 0.000 1.104 127 F CA 1.795 59.818 58.000 0.039 0.000 1.232 127 F CB -0.938 38.080 39.000 0.030 0.000 0.987 127 F HN -0.003 nan 8.300 nan 0.000 0.475 128 G N 0.747 109.559 108.800 0.020 0.000 2.446 128 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.217 128 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.217 128 G C 1.805 176.640 174.900 -0.108 0.000 1.168 128 G CA 1.112 46.160 45.100 -0.085 0.000 0.771 128 G HN 0.447 nan 8.290 nan 0.000 0.551 129 L N 0.013 121.221 121.223 -0.024 0.000 2.083 129 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 129 L C 2.868 179.703 176.870 -0.059 0.000 1.083 129 L CA 1.137 55.969 54.840 -0.013 0.000 0.752 129 L CB -0.390 41.694 42.059 0.042 0.000 0.899 129 L HN 0.317 nan 8.230 nan 0.000 0.433 130 E N -0.168 119.974 120.200 -0.096 0.000 2.106 130 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 130 E C 2.123 178.615 176.600 -0.180 0.000 0.984 130 E CA 0.678 57.009 56.400 -0.114 0.000 0.806 130 E CB 0.124 29.764 29.700 -0.100 0.000 0.750 130 E HN 0.273 nan 8.360 nan 0.000 0.458 131 K N 0.520 120.733 120.400 -0.312 0.000 2.211 131 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 131 K C 1.863 178.373 176.600 -0.151 0.000 1.050 131 K CA 0.691 56.800 56.287 -0.297 0.000 0.945 131 K CB -0.034 32.205 32.500 -0.435 0.000 0.732 131 K HN 0.230 nan 8.250 nan 0.000 0.451 132 L N -0.223 120.931 121.223 -0.115 0.000 2.599 132 L HA 0.046 4.385 4.340 -0.000 0.000 0.230 132 L C 1.124 177.964 176.870 -0.050 0.000 1.141 132 L CA 0.471 55.273 54.840 -0.065 0.000 0.877 132 L CB -0.104 41.929 42.059 -0.044 0.000 1.009 132 L HN 0.378 nan 8.230 nan 0.000 0.447 133 G N -0.476 108.290 108.800 -0.057 0.000 2.184 133 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.206 133 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.206 133 G C 0.359 175.242 174.900 -0.028 0.000 0.995 133 G CA -0.140 44.936 45.100 -0.039 0.000 0.651 133 G HN 0.435 nan 8.290 nan 0.000 0.511 134 A N 0.192 122.997 122.820 -0.026 0.000 2.388 134 A HA 0.652 4.971 4.320 -0.000 0.000 0.257 134 A C 0.319 177.899 177.584 -0.007 0.000 1.095 134 A CA 0.545 52.577 52.037 -0.009 0.000 0.791 134 A CB 0.575 19.578 19.000 0.004 0.000 1.029 134 A HN 0.593 nan 8.150 nan 0.000 0.489 135 E N 1.904 122.105 120.200 0.001 0.000 2.174 135 E HA 0.470 4.820 4.350 -0.000 0.000 0.282 135 E C -1.098 175.512 176.600 0.017 0.000 0.992 135 E CA -0.513 55.890 56.400 0.005 0.000 0.803 135 E CB 0.567 30.269 29.700 0.004 0.000 1.090 135 E HN 0.500 nan 8.360 nan 0.000 0.396 136 I N 4.140 124.724 120.570 0.023 0.000 2.433 136 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 136 I C -0.198 175.941 176.117 0.037 0.000 1.001 136 I CA -0.740 60.581 61.300 0.035 0.000 1.119 136 I CB 1.467 39.493 38.000 0.044 0.000 1.289 136 I HN 0.545 nan 8.210 nan 0.000 0.438 137 K N 4.800 125.224 120.400 0.041 0.000 2.395 137 K HA 0.704 5.024 4.320 -0.000 0.000 0.247 137 K C -1.402 175.229 176.600 0.053 0.000 0.973 137 K CA -0.972 55.340 56.287 0.041 0.000 0.828 137 K CB 3.027 35.548 32.500 0.035 0.000 1.272 137 K HN 0.298 nan 8.250 nan 0.000 0.439 138 L N 1.901 123.154 121.223 0.050 0.000 2.372 138 L HA 0.328 4.668 4.340 -0.000 0.000 0.273 138 L C -1.459 175.448 176.870 0.062 0.000 0.989 138 L CA 0.123 54.998 54.840 0.059 0.000 0.841 138 L CB 1.055 43.139 42.059 0.042 0.000 1.225 138 L HN 0.709 nan 8.230 nan 0.000 0.414 139 E N 3.203 123.458 120.200 0.091 0.000 2.275 139 E HA 0.426 4.776 4.350 -0.000 0.000 0.270 139 E C -0.844 175.837 176.600 0.134 0.000 0.882 139 E CA -0.723 55.726 56.400 0.083 0.000 0.758 139 E CB 1.293 31.027 29.700 0.057 0.000 1.195 139 E HN 0.599 nan 8.360 nan 0.000 0.419 140 E N 1.312 121.573 120.200 0.101 0.000 2.637 140 E HA -0.291 4.058 4.350 -0.000 0.000 0.265 140 E C 0.658 177.358 176.600 0.166 0.000 1.073 140 E CA 0.624 57.099 56.400 0.125 0.000 0.778 140 E CB -1.633 28.153 29.700 0.143 0.000 1.362 140 E HN 1.192 nan 8.360 nan 0.000 0.413 141 G N -1.153 107.690 108.800 0.072 0.000 2.162 141 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 141 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 141 G C -0.214 174.605 174.900 -0.136 0.000 0.976 141 G CA 0.681 45.756 45.100 -0.042 0.000 0.655 141 G HN 0.318 nan 8.290 nan 0.000 0.533 142 Y N -0.627 119.689 120.300 0.027 0.000 2.387 142 Y HA 0.565 5.115 4.550 -0.000 0.000 0.336 142 Y C 0.605 176.521 175.900 0.027 0.000 1.067 142 Y CA -0.983 57.139 58.100 0.035 0.000 1.114 142 Y CB 2.104 40.587 38.460 0.038 0.000 1.208 142 Y HN 0.043 nan 8.280 nan 0.000 0.458 143 V N 4.634 124.637 119.914 0.147 0.000 2.408 143 V HA 0.239 4.359 4.120 -0.000 0.000 0.267 143 V C -0.392 175.778 176.094 0.127 0.000 1.047 143 V CA -0.873 61.486 62.300 0.098 0.000 0.937 143 V CB 0.295 32.147 31.823 0.048 0.000 0.999 143 V HN 0.616 nan 8.190 nan 0.000 0.472 144 K N 4.384 124.846 120.400 0.103 0.000 2.367 144 K HA 0.757 5.077 4.320 -0.000 0.000 0.263 144 K C -0.288 176.348 176.600 0.060 0.000 1.000 144 K CA -0.249 56.089 56.287 0.085 0.000 0.891 144 K CB 2.089 34.630 32.500 0.068 0.000 1.117 144 K HN 0.736 nan 8.250 nan 0.000 0.443 145 A N 1.926 124.781 122.820 0.060 0.000 2.320 145 A HA 0.780 5.100 4.320 -0.000 0.000 0.334 145 A C -0.481 177.119 177.584 0.027 0.000 1.147 145 A CA -0.555 51.509 52.037 0.046 0.000 0.820 145 A CB 1.073 20.108 19.000 0.059 0.000 1.218 145 A HN 0.714 nan 8.150 nan 0.000 0.482 146 S N -0.614 115.095 115.700 0.015 0.000 2.567 146 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 146 S C -1.383 173.215 174.600 -0.004 0.000 1.152 146 S CA -0.393 57.805 58.200 -0.002 0.000 0.835 146 S CB 1.170 64.363 63.200 -0.012 0.000 1.115 146 S HN 2.147 nan 8.310 nan 0.000 0.459 147 V N 1.338 121.246 119.914 -0.011 0.000 2.924 147 V HA 0.512 4.632 4.120 -0.000 0.000 0.300 147 V C -1.387 174.697 176.094 -0.017 0.000 1.227 147 V CA -0.673 61.620 62.300 -0.012 0.000 0.954 147 V CB 1.875 33.691 31.823 -0.010 0.000 1.055 147 V HN 1.112 nan 8.190 nan 0.000 0.429 148 N N 4.674 123.365 118.700 -0.016 0.000 2.415 148 N HA 0.533 5.272 4.740 -0.000 0.000 0.250 148 N C 0.404 175.905 175.510 -0.016 0.000 1.127 148 N CA 0.894 53.935 53.050 -0.016 0.000 0.945 148 N CB 0.613 39.092 38.487 -0.013 0.000 1.196 148 N HN 1.407 nan 8.380 nan 0.000 0.499 149 G N 2.645 111.434 108.800 -0.018 0.000 2.484 149 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.225 149 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.225 149 G C -0.620 174.265 174.900 -0.025 0.000 1.250 149 G CA -0.716 44.372 45.100 -0.020 0.000 0.926 149 G HN 0.568 nan 8.290 nan 0.000 0.581 150 R N -0.409 120.075 120.500 -0.026 0.000 2.528 150 R HA 0.582 4.922 4.340 -0.000 0.000 0.271 150 R C 0.654 176.939 176.300 -0.025 0.000 1.056 150 R CA -0.607 55.475 56.100 -0.030 0.000 1.117 150 R CB 0.584 30.864 30.300 -0.033 0.000 1.085 150 R HN 0.461 nan 8.270 nan 0.000 0.530 151 L N 1.663 122.870 121.223 -0.026 0.000 2.466 151 L HA 0.247 4.587 4.340 -0.000 0.000 0.257 151 L C 0.405 177.260 176.870 -0.026 0.000 1.189 151 L CA 0.129 54.955 54.840 -0.023 0.000 0.813 151 L CB 0.299 42.346 42.059 -0.020 0.000 1.118 151 L HN 0.341 nan 8.230 nan 0.000 0.471 152 K N 0.259 120.643 120.400 -0.027 0.000 2.324 152 K HA 0.410 4.730 4.320 -0.000 0.000 0.253 152 K C -0.233 176.351 176.600 -0.026 0.000 0.932 152 K CA -0.733 55.539 56.287 -0.025 0.000 0.799 152 K CB 1.882 34.368 32.500 -0.023 0.000 1.154 152 K HN 0.720 nan 8.250 nan 0.000 0.425 153 G N 0.973 109.758 108.800 -0.025 0.000 2.414 153 G HA2 0.391 4.351 3.960 -0.000 0.000 0.236 153 G HA3 0.391 4.351 3.960 -0.000 0.000 0.236 153 G C -0.631 174.260 174.900 -0.015 0.000 1.293 153 G CA -0.123 44.963 45.100 -0.023 0.000 0.869 153 G HN 0.604 nan 8.290 nan 0.000 0.556 154 A N 1.445 124.260 122.820 -0.008 0.000 2.594 154 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 154 A C -0.926 176.699 177.584 0.069 0.000 1.105 154 A CA -0.747 51.301 52.037 0.018 0.000 0.694 154 A CB 1.133 20.126 19.000 -0.011 0.000 1.291 154 A HN 0.950 nan 8.150 nan 0.000 0.410 155 H N 0.895 119.957 119.070 -0.014 0.000 2.705 155 H HA 0.622 5.178 4.556 -0.000 0.000 0.291 155 H C -0.946 174.391 175.328 0.014 0.000 1.085 155 H CA -0.416 55.633 56.048 0.001 0.000 1.357 155 H CB 0.218 29.984 29.762 0.006 0.000 1.419 155 H HN 0.483 nan 8.280 nan 0.000 0.462 156 I N 5.988 126.720 120.570 0.270 0.000 2.433 156 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 156 I C -0.628 175.600 176.117 0.185 0.000 1.001 156 I CA -1.062 60.341 61.300 0.172 0.000 1.119 156 I CB 1.993 40.062 38.000 0.114 0.000 1.289 156 I HN 0.305 nan 8.210 nan 0.000 0.438 157 V N 6.386 126.388 119.914 0.148 0.000 2.357 157 V HA 0.350 4.470 4.120 -0.000 0.000 0.284 157 V C 0.296 176.450 176.094 0.100 0.000 1.018 157 V CA -0.656 61.697 62.300 0.089 0.000 0.841 157 V CB 1.462 33.288 31.823 0.005 0.000 0.991 157 V HN 0.600 nan 8.190 nan 0.000 0.437 158 M N 3.127 122.771 119.600 0.073 0.000 2.184 158 M HA 0.226 4.705 4.480 -0.000 0.000 0.351 158 M C 0.832 177.118 176.300 -0.024 0.000 1.395 158 M CA -0.091 55.231 55.300 0.037 0.000 1.117 158 M CB 0.396 33.018 32.600 0.038 0.000 1.708 158 M HN 0.525 nan 8.290 nan 0.000 0.468 159 D N 2.217 122.566 120.400 -0.086 0.000 2.351 159 D HA -0.032 4.608 4.640 -0.000 0.000 0.216 159 D C 0.603 176.861 176.300 -0.070 0.000 0.968 159 D CA 1.247 55.185 54.000 -0.103 0.000 0.899 159 D CB 0.427 41.126 40.800 -0.169 0.000 0.907 159 D HN 0.507 nan 8.370 nan 0.000 0.514 160 K N -0.713 119.656 120.400 -0.053 0.000 2.568 160 K HA 0.284 4.604 4.320 -0.000 0.000 0.273 160 K C -1.516 175.066 176.600 -0.029 0.000 0.951 160 K CA -0.649 55.611 56.287 -0.045 0.000 0.854 160 K CB 1.957 34.425 32.500 -0.054 0.000 1.424 160 K HN -0.354 nan 8.250 nan 0.000 0.427 161 V N 2.470 122.367 119.914 -0.029 0.000 2.439 161 V HA 0.226 4.346 4.120 -0.000 0.000 0.271 161 V C -0.138 175.944 176.094 -0.020 0.000 1.040 161 V CA -0.018 62.272 62.300 -0.017 0.000 1.002 161 V CB 0.762 32.577 31.823 -0.014 0.000 1.000 161 V HN 0.643 nan 8.190 nan 0.000 0.477 162 S N 4.201 119.898 115.700 -0.005 0.000 2.647 162 S HA 0.421 4.891 4.470 -0.000 0.000 0.300 162 S C 0.576 175.197 174.600 0.035 0.000 1.129 162 S CA -0.621 57.584 58.200 0.007 0.000 1.029 162 S CB 1.876 65.075 63.200 -0.001 0.000 1.007 162 S HN 0.322 nan 8.310 nan 0.000 0.484 163 V N 5.519 125.479 119.914 0.076 0.000 2.237 163 V HA -0.029 4.090 4.120 -0.000 0.000 0.245 163 V C 2.701 178.923 176.094 0.213 0.000 1.046 163 V CA 2.601 64.977 62.300 0.128 0.000 1.007 163 V CB -1.298 30.624 31.823 0.165 0.000 0.638 163 V HN 0.964 nan 8.190 nan 0.000 0.445 164 G N -0.397 108.580 108.800 0.294 0.000 2.491 164 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.218 164 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.218 164 G C 1.766 176.716 174.900 0.083 0.000 1.180 164 G CA 1.228 46.616 45.100 0.480 0.000 0.774 164 G HN 0.635 nan 8.290 nan 0.000 0.562 165 A N -0.035 122.550 122.820 -0.392 0.000 1.933 165 A HA 0.005 4.324 4.320 -0.000 0.000 0.218 165 A C 2.522 180.001 177.584 -0.176 0.000 1.175 165 A CA 2.424 54.090 52.037 -0.617 0.000 0.628 165 A CB -0.850 17.952 19.000 -0.330 0.000 0.814 165 A HN 0.317 nan 8.150 nan 0.000 0.444 166 T N -0.482 114.042 114.554 -0.050 0.000 2.746 166 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 166 T C 1.865 176.560 174.700 -0.008 0.000 1.039 166 T CA 1.485 63.580 62.100 -0.009 0.000 1.142 166 T CB -0.358 68.516 68.868 0.009 0.000 0.866 166 T HN 0.155 nan 8.240 nan 0.000 0.444 167 V N 1.376 121.300 119.914 0.017 0.000 2.295 167 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 167 V C 2.808 178.882 176.094 -0.034 0.000 1.049 167 V CA 2.000 64.253 62.300 -0.079 0.000 1.024 167 V CB -1.027 30.623 31.823 -0.289 0.000 0.648 167 V HN 0.506 nan 8.190 nan 0.000 0.447 168 T N 0.261 114.883 114.554 0.112 0.000 2.652 168 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 168 T C 1.781 176.526 174.700 0.076 0.000 1.039 168 T CA 1.971 64.175 62.100 0.173 0.000 1.153 168 T CB -0.268 68.783 68.868 0.304 0.000 0.863 168 T HN 0.341 nan 8.240 nan 0.000 0.428 169 I N 0.719 121.308 120.570 0.031 0.000 2.202 169 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 169 I C 2.603 178.723 176.117 0.004 0.000 1.091 169 I CA 1.319 62.629 61.300 0.017 0.000 1.368 169 I CB -0.432 37.575 38.000 0.011 0.000 1.058 169 I HN 0.268 nan 8.210 nan 0.000 0.410 170 M N 0.547 120.142 119.600 -0.008 0.000 2.108 170 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 170 M C 2.456 178.741 176.300 -0.024 0.000 1.066 170 M CA 1.969 57.256 55.300 -0.022 0.000 1.107 170 M CB -0.033 32.547 32.600 -0.034 0.000 1.356 170 M HN 0.124 nan 8.290 nan 0.000 0.406 171 S N 0.783 116.472 115.700 -0.020 0.000 2.356 171 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 171 S C 2.030 176.633 174.600 0.006 0.000 1.032 171 S CA 1.400 59.595 58.200 -0.009 0.000 1.005 171 S CB -0.582 62.619 63.200 0.002 0.000 0.867 171 S HN 0.702 nan 8.310 nan 0.000 0.449 172 A N 1.441 124.275 122.820 0.022 0.000 1.930 172 A HA 0.204 4.524 4.320 -0.000 0.000 0.217 172 A C 2.314 179.896 177.584 -0.004 0.000 1.175 172 A CA 1.510 53.560 52.037 0.021 0.000 0.627 172 A CB -0.970 18.052 19.000 0.037 0.000 0.815 172 A HN 0.506 nan 8.150 nan 0.000 0.443 173 A N 0.047 122.860 122.820 -0.011 0.000 2.019 173 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 173 A C 2.356 179.921 177.584 -0.032 0.000 1.164 173 A CA 2.351 54.374 52.037 -0.022 0.000 0.644 173 A CB -1.427 17.560 19.000 -0.023 0.000 0.805 173 A HN 0.819 nan 8.150 nan 0.000 0.449 174 T N -2.044 112.488 114.554 -0.037 0.000 2.849 174 T HA -0.049 4.300 4.350 -0.000 0.000 0.270 174 T C 1.341 176.009 174.700 -0.052 0.000 1.066 174 T CA 1.557 63.626 62.100 -0.050 0.000 1.130 174 T CB -0.347 68.483 68.868 -0.063 0.000 0.864 174 T HN 0.339 nan 8.240 nan 0.000 0.481 175 L N 0.339 121.534 121.223 -0.047 0.000 2.728 175 L HA 0.537 4.876 4.340 -0.000 0.000 0.238 175 L C 1.416 178.258 176.870 -0.046 0.000 1.143 175 L CA -0.524 54.284 54.840 -0.054 0.000 0.937 175 L CB -0.218 41.801 42.059 -0.066 0.000 1.225 175 L HN 0.296 nan 8.230 nan 0.000 0.507 176 A N 0.383 123.180 122.820 -0.038 0.000 2.346 176 A HA 0.188 4.508 4.320 -0.000 0.000 0.252 176 A C 0.135 177.698 177.584 -0.034 0.000 1.089 176 A CA -0.154 51.863 52.037 -0.033 0.000 0.797 176 A CB 0.318 19.300 19.000 -0.029 0.000 1.047 176 A HN 0.243 nan 8.150 nan 0.000 0.494 177 E N -0.187 119.995 120.200 -0.030 0.000 2.167 177 E HA 0.462 4.812 4.350 -0.000 0.000 0.284 177 E C 0.617 177.201 176.600 -0.027 0.000 1.016 177 E CA 0.859 57.242 56.400 -0.028 0.000 0.817 177 E CB 0.422 30.107 29.700 -0.025 0.000 1.080 177 E HN 1.343 nan 8.360 nan 0.000 0.397 178 G N 2.835 111.619 108.800 -0.028 0.000 2.548 178 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.208 178 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.208 178 G C -0.503 174.378 174.900 -0.032 0.000 1.308 178 G CA -0.483 44.600 45.100 -0.027 0.000 0.924 178 G HN 0.518 nan 8.290 nan 0.000 0.540 179 T N 1.122 115.656 114.554 -0.033 0.000 2.829 179 T HA 0.688 5.038 4.350 -0.000 0.000 0.282 179 T C 0.055 174.729 174.700 -0.044 0.000 0.990 179 T CA 0.309 62.384 62.100 -0.042 0.000 1.028 179 T CB 1.548 70.386 68.868 -0.050 0.000 0.951 179 T HN 0.745 nan 8.240 nan 0.000 0.460 180 T N 3.462 117.987 114.554 -0.047 0.000 2.856 180 T HA 0.648 4.998 4.350 -0.000 0.000 0.283 180 T C -0.367 174.294 174.700 -0.064 0.000 1.008 180 T CA -0.515 61.559 62.100 -0.042 0.000 0.997 180 T CB 0.663 69.514 68.868 -0.028 0.000 0.992 180 T HN 0.411 nan 8.240 nan 0.000 0.454 181 I N 3.379 123.905 120.570 -0.072 0.000 2.447 181 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 181 I C -0.671 175.455 176.117 0.015 0.000 1.023 181 I CA -0.751 60.484 61.300 -0.108 0.000 1.083 181 I CB 1.805 39.579 38.000 -0.378 0.000 1.245 181 I HN 0.468 nan 8.210 nan 0.000 0.434 182 I N 5.795 126.378 120.570 0.022 0.000 2.306 182 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 182 I C 0.186 176.348 176.117 0.076 0.000 1.036 182 I CA -0.469 60.869 61.300 0.063 0.000 1.221 182 I CB 0.807 38.828 38.000 0.034 0.000 1.385 182 I HN 0.465 nan 8.210 nan 0.000 0.472 183 E N 5.189 125.467 120.200 0.130 0.000 2.249 183 E HA 0.123 4.472 4.350 -0.000 0.000 0.280 183 E C 0.070 176.713 176.600 0.072 0.000 1.016 183 E CA -0.265 56.204 56.400 0.116 0.000 0.830 183 E CB 1.169 30.970 29.700 0.170 0.000 1.081 183 E HN 0.551 nan 8.360 nan 0.000 0.395 184 N N 0.993 119.722 118.700 0.049 0.000 2.783 184 N HA -0.210 4.530 4.740 -0.000 0.000 0.247 184 N C -1.236 174.290 175.510 0.028 0.000 1.089 184 N CA 0.803 53.871 53.050 0.030 0.000 0.690 184 N CB -0.935 37.564 38.487 0.021 0.000 0.991 184 N HN 0.524 nan 8.380 nan 0.000 0.552 185 A N -0.041 122.797 122.820 0.030 0.000 2.332 185 A HA 0.725 5.045 4.320 -0.000 0.000 0.258 185 A C 0.927 178.525 177.584 0.024 0.000 1.087 185 A CA 0.141 52.193 52.037 0.025 0.000 0.802 185 A CB 0.344 19.357 19.000 0.021 0.000 1.042 185 A HN 0.880 nan 8.150 nan 0.000 0.489 186 A N 0.522 123.356 122.820 0.024 0.000 2.425 186 A HA 0.492 4.812 4.320 -0.000 0.000 0.249 186 A C 0.686 178.292 177.584 0.037 0.000 1.084 186 A CA -0.216 51.840 52.037 0.032 0.000 0.781 186 A CB 0.037 19.058 19.000 0.035 0.000 1.019 186 A HN 0.759 nan 8.150 nan 0.000 0.490 187 R N 0.467 121.005 120.500 0.063 0.000 2.432 187 R HA 0.189 4.529 4.340 -0.000 0.000 0.260 187 R C -0.401 175.948 176.300 0.082 0.000 0.935 187 R CA -0.132 56.017 56.100 0.082 0.000 1.080 187 R CB 0.097 30.464 30.300 0.113 0.000 1.155 187 R HN 0.776 nan 8.270 nan 0.000 0.531 188 E N 1.067 121.275 120.200 0.013 0.000 2.467 188 E HA -0.057 4.293 4.350 -0.000 0.000 0.264 188 E C -1.586 174.878 176.600 -0.228 0.000 1.020 188 E CA -0.955 55.337 56.400 -0.181 0.000 0.945 188 E CB 0.396 30.041 29.700 -0.092 0.000 0.942 188 E HN -0.072 nan 8.360 nan 0.000 0.449 189 P HA -0.170 nan 4.420 nan 0.000 0.217 189 P C 0.267 177.501 177.300 -0.110 0.000 1.148 189 P CA 1.225 64.195 63.100 -0.217 0.000 0.828 189 P CB 0.281 31.834 31.700 -0.245 0.000 0.783 190 E N -1.187 118.949 120.200 -0.106 0.000 2.204 190 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 190 E C 1.850 178.408 176.600 -0.070 0.000 0.989 190 E CA 0.702 57.062 56.400 -0.068 0.000 0.824 190 E CB -0.734 28.936 29.700 -0.050 0.000 0.756 190 E HN 0.212 nan 8.360 nan 0.000 0.477 191 I N 0.034 120.566 120.570 -0.063 0.000 2.286 191 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 191 I C 2.066 178.154 176.117 -0.047 0.000 1.104 191 I CA 0.787 62.054 61.300 -0.056 0.000 1.397 191 I CB -0.947 37.035 38.000 -0.031 0.000 1.072 191 I HN 0.012 nan 8.210 nan 0.000 0.417 192 V N 1.044 120.937 119.914 -0.034 0.000 2.343 192 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 192 V C 2.263 178.358 176.094 0.000 0.000 1.051 192 V CA 2.129 64.421 62.300 -0.013 0.000 1.036 192 V CB -0.681 31.141 31.823 -0.003 0.000 0.654 192 V HN 0.297 nan 8.190 nan 0.000 0.451 193 D N -0.260 120.145 120.400 0.009 0.000 2.117 193 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 193 D C 2.264 178.530 176.300 -0.057 0.000 0.982 193 D CA 1.655 55.693 54.000 0.063 0.000 0.828 193 D CB -0.103 40.749 40.800 0.088 0.000 0.967 193 D HN 0.390 nan 8.370 nan 0.000 0.464 194 T N -0.460 114.044 114.554 -0.084 0.000 2.867 194 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 194 T C 1.884 176.539 174.700 -0.075 0.000 1.057 194 T CA 1.142 63.182 62.100 -0.100 0.000 1.136 194 T CB -0.267 68.515 68.868 -0.144 0.000 0.874 194 T HN 0.191 nan 8.240 nan 0.000 0.466 195 A N 2.483 125.255 122.820 -0.079 0.000 1.898 195 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 195 A C 2.239 179.756 177.584 -0.111 0.000 1.181 195 A CA 1.299 53.288 52.037 -0.079 0.000 0.620 195 A CB -0.530 18.439 19.000 -0.053 0.000 0.819 195 A HN 0.361 nan 8.150 nan 0.000 0.442 196 N N -0.927 117.708 118.700 -0.108 0.000 2.244 196 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 196 N C 1.367 176.670 175.510 -0.345 0.000 1.016 196 N CA 1.346 54.332 53.050 -0.107 0.000 0.866 196 N CB -0.565 37.976 38.487 0.091 0.000 0.980 196 N HN 0.559 nan 8.380 nan 0.000 0.430 197 F N 1.826 121.287 119.950 -0.816 0.000 2.102 197 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 197 F C 1.986 177.550 175.800 -0.393 0.000 1.105 197 F CA 1.026 58.450 58.000 -0.960 0.000 1.239 197 F CB -0.547 37.957 39.000 -0.827 0.000 0.991 197 F HN -0.101 nan 8.300 nan 0.000 0.474 198 L N -0.380 120.546 121.223 -0.494 0.000 2.042 198 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 198 L C 2.411 179.070 176.870 -0.351 0.000 1.076 198 L CA 1.118 55.682 54.840 -0.460 0.000 0.749 198 L CB -0.942 40.994 42.059 -0.205 0.000 0.893 198 L HN 0.042 nan 8.230 nan 0.000 0.432 199 V N 0.099 119.866 119.914 -0.246 0.000 2.407 199 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 199 V C 2.728 178.723 176.094 -0.164 0.000 1.055 199 V CA 1.731 63.934 62.300 -0.161 0.000 1.049 199 V CB -0.880 30.886 31.823 -0.096 0.000 0.662 199 V HN 0.495 nan 8.190 nan 0.000 0.455 200 A N -0.411 122.287 122.820 -0.203 0.000 2.019 200 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 200 A C 2.071 179.541 177.584 -0.190 0.000 1.164 200 A CA 1.403 53.359 52.037 -0.134 0.000 0.644 200 A CB -0.437 18.537 19.000 -0.043 0.000 0.805 200 A HN 0.547 nan 8.150 nan 0.000 0.449 201 L N -1.815 119.212 121.223 -0.326 0.000 2.558 201 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 201 L C 1.621 178.386 176.870 -0.175 0.000 1.128 201 L CA 0.624 55.295 54.840 -0.280 0.000 0.868 201 L CB -0.083 41.727 42.059 -0.415 0.000 1.006 201 L HN 0.583 nan 8.230 nan 0.000 0.454 202 G N -0.405 108.304 108.800 -0.152 0.000 2.192 202 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.193 202 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.193 202 G C 0.324 175.164 174.900 -0.101 0.000 0.999 202 G CA -0.164 44.873 45.100 -0.105 0.000 0.659 202 G HN 0.404 nan 8.290 nan 0.000 0.503 203 A N 0.081 122.825 122.820 -0.126 0.000 2.332 203 A HA 0.695 5.014 4.320 -0.000 0.000 0.258 203 A C 0.417 177.951 177.584 -0.084 0.000 1.087 203 A CA 0.207 52.180 52.037 -0.106 0.000 0.802 203 A CB 0.423 19.349 19.000 -0.124 0.000 1.042 203 A HN 0.337 nan 8.150 nan 0.000 0.489 204 K N 1.330 121.689 120.400 -0.068 0.000 2.404 204 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 204 K C -1.413 175.155 176.600 -0.053 0.000 1.026 204 K CA 0.323 56.577 56.287 -0.055 0.000 0.951 204 K CB 0.890 33.361 32.500 -0.047 0.000 1.203 204 K HN 0.579 nan 8.250 nan 0.000 0.446 205 I N 1.619 122.158 120.570 -0.052 0.000 2.582 205 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 205 I C -0.329 175.766 176.117 -0.037 0.000 1.066 205 I CA -0.729 60.543 61.300 -0.046 0.000 1.053 205 I CB 2.269 40.237 38.000 -0.053 0.000 1.241 205 I HN 0.527 nan 8.210 nan 0.000 0.421 206 S N 2.378 118.058 115.700 -0.032 0.000 2.564 206 S HA 0.825 5.295 4.470 -0.000 0.000 0.274 206 S C 0.198 174.785 174.600 -0.021 0.000 1.124 206 S CA 0.004 58.189 58.200 -0.025 0.000 0.869 206 S CB 2.078 65.263 63.200 -0.024 0.000 1.105 206 S HN 1.302 nan 8.310 nan 0.000 0.472 207 G N 0.873 109.665 108.800 -0.014 0.000 2.194 207 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.236 207 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.236 207 G C 0.099 174.997 174.900 -0.004 0.000 0.987 207 G CA 0.056 45.151 45.100 -0.009 0.000 0.635 207 G HN 1.279 nan 8.290 nan 0.000 0.520 208 Q N 0.426 120.221 119.800 -0.007 0.000 2.263 208 Q HA 0.394 4.733 4.340 -0.000 0.000 0.289 208 Q C 1.117 177.120 176.000 0.006 0.000 1.061 208 Q CA 1.110 56.910 55.803 -0.005 0.000 0.927 208 Q CB 0.852 29.582 28.738 -0.013 0.000 1.154 208 Q HN 1.817 nan 8.270 nan 0.000 0.378 209 G N 2.438 111.247 108.800 0.014 0.000 2.218 209 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 209 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 209 G C 0.237 175.161 174.900 0.039 0.000 0.994 209 G CA 0.177 45.297 45.100 0.032 0.000 0.637 209 G HN 1.095 nan 8.290 nan 0.000 0.505 210 T N -1.513 113.056 114.554 0.024 0.000 2.919 210 T HA 0.558 4.908 4.350 -0.000 0.000 0.282 210 T C 0.907 175.620 174.700 0.022 0.000 1.020 210 T CA 0.663 62.776 62.100 0.022 0.000 0.994 210 T CB 1.669 70.545 68.868 0.013 0.000 1.180 210 T HN 0.195 nan 8.240 nan 0.000 0.566 211 D N -1.154 119.258 120.400 0.020 0.000 2.363 211 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 211 D C 0.698 177.013 176.300 0.025 0.000 1.020 211 D CA 0.095 54.108 54.000 0.022 0.000 0.892 211 D CB 0.068 40.880 40.800 0.020 0.000 0.900 211 D HN 0.552 nan 8.370 nan 0.000 0.531 212 R N 0.737 121.248 120.500 0.019 0.000 2.502 212 R HA 0.474 4.814 4.340 -0.000 0.000 0.300 212 R C -1.452 174.849 176.300 0.000 0.000 0.984 212 R CA -0.664 55.446 56.100 0.016 0.000 0.882 212 R CB 0.877 31.186 30.300 0.015 0.000 1.180 212 R HN 0.028 nan 8.270 nan 0.000 0.444 213 I N 3.362 123.931 120.570 -0.003 0.000 2.377 213 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 213 I C -0.230 175.868 176.117 -0.031 0.000 0.987 213 I CA -0.729 60.562 61.300 -0.015 0.000 1.185 213 I CB 2.333 40.326 38.000 -0.012 0.000 1.341 213 I HN 0.513 nan 8.210 nan 0.000 0.455 214 T N 7.073 121.603 114.554 -0.039 0.000 2.770 214 T HA 0.614 4.963 4.350 -0.000 0.000 0.283 214 T C -0.336 174.336 174.700 -0.047 0.000 0.988 214 T CA -0.305 61.763 62.100 -0.053 0.000 0.957 214 T CB 0.899 69.732 68.868 -0.059 0.000 0.930 214 T HN 0.175 nan 8.240 nan 0.000 0.443 215 I N 2.591 123.133 120.570 -0.048 0.000 2.433 215 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 215 I C 0.269 176.358 176.117 -0.046 0.000 1.001 215 I CA -0.593 60.680 61.300 -0.045 0.000 1.119 215 I CB 1.746 39.721 38.000 -0.041 0.000 1.289 215 I HN 0.382 nan 8.210 nan 0.000 0.438 216 E N 4.420 124.593 120.200 -0.045 0.000 2.102 216 E HA 0.379 4.729 4.350 -0.000 0.000 0.263 216 E C -0.040 176.534 176.600 -0.043 0.000 0.894 216 E CA -0.423 55.951 56.400 -0.043 0.000 0.746 216 E CB 1.716 31.392 29.700 -0.040 0.000 1.129 216 E HN 0.817 nan 8.360 nan 0.000 0.416 217 G N 2.014 110.790 108.800 -0.041 0.000 2.559 217 G HA2 0.280 4.240 3.960 -0.000 0.000 0.235 217 G HA3 0.280 4.240 3.960 -0.000 0.000 0.235 217 G C 0.198 175.072 174.900 -0.043 0.000 1.266 217 G CA -0.049 45.026 45.100 -0.042 0.000 0.847 217 G HN 0.315 nan 8.290 nan 0.000 0.583 218 V N -0.942 118.944 119.914 -0.048 0.000 3.141 218 V HA 0.557 4.677 4.120 -0.000 0.000 0.312 218 V C 0.848 176.912 176.094 -0.050 0.000 1.157 218 V CA -0.770 61.502 62.300 -0.047 0.000 1.041 218 V CB 1.967 33.759 31.823 -0.052 0.000 1.071 218 V HN 0.762 nan 8.190 nan 0.000 0.441 219 E N 1.011 121.183 120.200 -0.047 0.000 2.072 219 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 219 E C 0.331 176.895 176.600 -0.061 0.000 0.985 219 E CA 1.627 57.997 56.400 -0.049 0.000 0.801 219 E CB 0.187 29.863 29.700 -0.040 0.000 0.750 219 E HN 0.776 nan 8.360 nan 0.000 0.452 220 R N -0.915 119.549 120.500 -0.060 0.000 2.716 220 R HA 0.536 4.876 4.340 -0.000 0.000 0.271 220 R C -1.261 174.998 176.300 -0.068 0.000 1.028 220 R CA -0.715 55.344 56.100 -0.069 0.000 0.883 220 R CB 0.946 31.210 30.300 -0.060 0.000 1.250 220 R HN -0.168 nan 8.270 nan 0.000 0.465 221 L N 0.911 122.089 121.223 -0.074 0.000 2.334 221 L HA 0.658 4.997 4.340 -0.000 0.000 0.273 221 L C 0.607 177.438 176.870 -0.066 0.000 1.013 221 L CA -0.709 54.081 54.840 -0.084 0.000 0.816 221 L CB 2.033 44.028 42.059 -0.107 0.000 1.278 221 L HN 0.985 nan 8.230 nan 0.000 0.431 222 G N 0.844 109.604 108.800 -0.068 0.000 3.286 222 G HA2 0.622 4.582 3.960 -0.000 0.000 0.173 222 G HA3 0.622 4.582 3.960 -0.000 0.000 0.173 222 G C -0.026 174.852 174.900 -0.036 0.000 1.704 222 G CA 0.307 45.382 45.100 -0.041 0.000 1.041 222 G HN 0.747 nan 8.290 nan 0.000 0.561 223 G N -2.937 105.850 108.800 -0.021 0.000 3.222 223 G HA2 0.727 4.687 3.960 -0.000 0.000 0.263 223 G HA3 0.727 4.687 3.960 -0.000 0.000 0.263 223 G C -0.297 174.603 174.900 0.001 0.000 1.312 223 G CA 0.076 45.179 45.100 0.004 0.000 0.934 223 G HN 1.830 nan 8.290 nan 0.000 0.577 224 G N -2.688 106.143 108.800 0.051 0.000 2.352 224 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 224 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 224 G C -1.942 173.029 174.900 0.120 0.000 1.308 224 G CA 0.141 45.280 45.100 0.065 0.000 0.892 224 G HN 1.391 nan 8.290 nan 0.000 0.504 225 V N 0.165 120.156 119.914 0.129 0.000 2.656 225 V HA 0.781 4.901 4.120 -0.000 0.000 0.307 225 V C -1.175 175.046 176.094 0.211 0.000 1.051 225 V CA -0.646 61.736 62.300 0.136 0.000 0.893 225 V CB 1.638 33.508 31.823 0.079 0.000 0.999 225 V HN 1.037 nan 8.190 nan 0.000 0.426 226 Y N 3.474 123.818 120.300 0.073 0.000 2.479 226 Y HA 0.581 5.131 4.550 -0.000 0.000 0.338 226 Y C -0.352 175.546 175.900 -0.004 0.000 1.055 226 Y CA -0.802 57.349 58.100 0.086 0.000 1.023 226 Y CB 1.739 40.365 38.460 0.276 0.000 1.287 226 Y HN 0.651 nan 8.280 nan 0.000 0.447 227 R N 5.111 125.252 120.500 -0.598 0.000 2.229 227 R HA 0.607 4.946 4.340 -0.000 0.000 0.328 227 R C -1.398 174.676 176.300 -0.377 0.000 1.009 227 R CA -0.547 55.325 56.100 -0.379 0.000 0.864 227 R CB 0.907 31.025 30.300 -0.302 0.000 1.085 227 R HN 0.608 nan 8.270 nan 0.000 0.453 228 V N 6.605 126.442 119.914 -0.128 0.000 2.655 228 V HA 0.028 4.148 4.120 -0.000 0.000 0.300 228 V C 0.948 177.009 176.094 -0.055 0.000 1.044 228 V CA -0.206 62.079 62.300 -0.026 0.000 1.095 228 V CB 0.738 32.537 31.823 -0.040 0.000 0.952 228 V HN 0.679 nan 8.190 nan 0.000 0.485 229 L N 5.233 126.448 121.223 -0.014 0.000 2.472 229 L HA 0.508 4.848 4.340 -0.000 0.000 0.260 229 L C -2.368 174.487 176.870 -0.024 0.000 1.209 229 L CA -1.583 53.242 54.840 -0.026 0.000 0.817 229 L CB -0.126 41.930 42.059 -0.005 0.000 1.106 229 L HN 0.349 nan 8.230 nan 0.000 0.479 230 P HA -0.009 nan 4.420 nan 0.000 0.269 230 P C -1.096 176.201 177.300 -0.006 0.000 1.209 230 P CA 0.030 63.126 63.100 -0.007 0.000 0.776 230 P CB 0.334 32.036 31.700 0.003 0.000 0.876 231 D N 2.768 123.169 120.400 0.002 0.000 2.344 231 D HA -0.011 4.629 4.640 -0.000 0.000 0.253 231 D C 1.348 177.655 176.300 0.011 0.000 1.255 231 D CA -0.037 53.959 54.000 -0.007 0.000 0.894 231 D CB 0.560 41.349 40.800 -0.018 0.000 1.067 231 D HN 0.349 nan 8.370 nan 0.000 0.492 232 R N 3.837 124.334 120.500 -0.005 0.000 2.148 232 R HA -0.096 4.244 4.340 -0.000 0.000 0.227 232 R C 1.386 177.694 176.300 0.013 0.000 1.103 232 R CA 0.539 56.642 56.100 0.005 0.000 0.983 232 R CB -0.086 30.203 30.300 -0.019 0.000 0.874 232 R HN 0.342 nan 8.270 nan 0.000 0.451 233 I N 1.737 122.301 120.570 -0.010 0.000 2.406 233 I HA -0.107 4.063 4.170 -0.000 0.000 0.249 233 I C 2.494 178.634 176.117 0.039 0.000 1.122 233 I CA 1.130 62.426 61.300 -0.006 0.000 1.431 233 I CB -1.136 36.836 38.000 -0.047 0.000 1.087 233 I HN 0.360 nan 8.210 nan 0.000 0.424 234 E N 1.061 121.278 120.200 0.029 0.000 2.072 234 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 234 E C 2.005 178.774 176.600 0.283 0.000 0.985 234 E CA 1.806 58.300 56.400 0.157 0.000 0.801 234 E CB 0.196 29.994 29.700 0.163 0.000 0.750 234 E HN 0.379 nan 8.360 nan 0.000 0.452 235 T N -0.094 114.587 114.554 0.212 0.000 2.708 235 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 235 T C 1.769 176.591 174.700 0.204 0.000 1.037 235 T CA 1.303 63.539 62.100 0.227 0.000 1.146 235 T CB -0.695 68.253 68.868 0.134 0.000 0.865 235 T HN 0.401 nan 8.240 nan 0.000 0.435 236 G N 1.013 109.897 108.800 0.140 0.000 2.422 236 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 236 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 236 G C 1.707 176.687 174.900 0.135 0.000 1.146 236 G CA 1.451 46.637 45.100 0.143 0.000 0.769 236 G HN 0.460 nan 8.290 nan 0.000 0.547 237 T N 0.798 115.406 114.554 0.089 0.000 2.746 237 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 237 T C 2.018 176.630 174.700 -0.146 0.000 1.039 237 T CA 1.019 63.093 62.100 -0.043 0.000 1.142 237 T CB -0.321 68.504 68.868 -0.070 0.000 0.866 237 T HN 0.302 nan 8.240 nan 0.000 0.444 238 F N 0.594 120.598 119.950 0.091 0.000 2.367 238 F HA 0.181 4.708 4.527 -0.000 0.000 0.298 238 F C 2.040 177.864 175.800 0.040 0.000 1.094 238 F CA 0.410 58.443 58.000 0.055 0.000 1.409 238 F CB -0.355 38.684 39.000 0.065 0.000 1.064 238 F HN 0.065 nan 8.300 nan 0.000 0.528 239 L N -0.845 120.503 121.223 0.208 0.000 2.056 239 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 239 L C 2.326 179.233 176.870 0.062 0.000 1.078 239 L CA 0.666 55.589 54.840 0.137 0.000 0.749 239 L CB -0.700 41.445 42.059 0.142 0.000 0.901 239 L HN -0.049 nan 8.230 nan 0.000 0.433 240 V N 0.102 120.027 119.914 0.018 0.000 2.407 240 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 240 V C 2.768 178.819 176.094 -0.072 0.000 1.055 240 V CA 1.676 63.918 62.300 -0.095 0.000 1.049 240 V CB -0.877 30.852 31.823 -0.157 0.000 0.662 240 V HN 0.479 nan 8.190 nan 0.000 0.455 241 A N 0.100 122.901 122.820 -0.032 0.000 1.917 241 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 241 A C 2.406 179.994 177.584 0.007 0.000 1.182 241 A CA 2.389 54.417 52.037 -0.015 0.000 0.633 241 A CB -0.731 18.291 19.000 0.037 0.000 0.819 241 A HN 0.586 nan 8.150 nan 0.000 0.448 242 A N -0.487 122.352 122.820 0.032 0.000 1.897 242 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 242 A C 2.492 180.070 177.584 -0.010 0.000 1.181 242 A CA 1.734 53.782 52.037 0.019 0.000 0.620 242 A CB -0.981 18.040 19.000 0.034 0.000 0.821 242 A HN 1.080 nan 8.150 nan 0.000 0.443 243 A N 0.599 123.406 122.820 -0.022 0.000 1.978 243 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 243 A C 1.984 179.536 177.584 -0.052 0.000 1.170 243 A CA 1.546 53.558 52.037 -0.041 0.000 0.636 243 A CB -0.750 18.209 19.000 -0.068 0.000 0.810 243 A HN 1.013 nan 8.150 nan 0.000 0.448 244 I N -2.962 117.570 120.570 -0.063 0.000 3.883 244 I HA 0.153 4.323 4.170 -0.000 0.000 0.326 244 I C 1.165 177.259 176.117 -0.038 0.000 1.283 244 I CA 1.015 62.279 61.300 -0.060 0.000 1.161 244 I CB 0.312 38.264 38.000 -0.080 0.000 1.012 244 I HN 0.222 nan 8.210 nan 0.000 0.421 245 S N -0.345 115.338 115.700 -0.027 0.000 2.730 245 S HA 0.457 4.927 4.470 -0.000 0.000 0.244 245 S C 1.439 176.031 174.600 -0.012 0.000 1.022 245 S CA 0.161 58.350 58.200 -0.018 0.000 1.014 245 S CB 0.368 63.560 63.200 -0.013 0.000 0.963 245 S HN 0.712 nan 8.310 nan 0.000 0.540 246 G N 0.715 109.508 108.800 -0.013 0.000 2.175 246 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.265 246 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.265 246 G C 0.632 175.523 174.900 -0.015 0.000 0.979 246 G CA 0.125 45.221 45.100 -0.007 0.000 0.663 246 G HN 1.109 nan 8.290 nan 0.000 0.533 247 G N -0.781 108.009 108.800 -0.018 0.000 2.553 247 G HA2 0.535 4.495 3.960 -0.000 0.000 0.278 247 G HA3 0.535 4.495 3.960 -0.000 0.000 0.278 247 G C -0.055 174.820 174.900 -0.042 0.000 1.349 247 G CA 0.238 45.326 45.100 -0.021 0.000 1.037 247 G HN 0.721 nan 8.290 nan 0.000 0.508 248 K N -0.851 119.528 120.400 -0.036 0.000 2.535 248 K HA 0.561 4.881 4.320 -0.000 0.000 0.250 248 K C -1.737 174.852 176.600 -0.018 0.000 0.948 248 K CA -0.658 55.600 56.287 -0.048 0.000 0.796 248 K CB 1.838 34.294 32.500 -0.074 0.000 1.216 248 K HN 0.449 nan 8.250 nan 0.000 0.432 249 I N 3.100 123.671 120.570 0.003 0.000 2.969 249 I HA 0.504 4.674 4.170 -0.000 0.000 0.307 249 I C -1.659 174.478 176.117 0.034 0.000 1.149 249 I CA -1.041 60.268 61.300 0.015 0.000 1.008 249 I CB 2.413 40.439 38.000 0.044 0.000 1.232 249 I HN 0.386 nan 8.210 nan 0.000 0.435 250 V N 4.817 124.743 119.914 0.019 0.000 2.483 250 V HA 0.337 4.457 4.120 -0.000 0.000 0.297 250 V C -0.747 175.376 176.094 0.049 0.000 1.027 250 V CA -0.587 61.743 62.300 0.050 0.000 0.855 250 V CB 1.351 33.155 31.823 -0.031 0.000 0.995 250 V HN 0.766 nan 8.190 nan 0.000 0.424 251 C N 6.251 125.621 119.300 0.116 0.000 2.265 251 C HA 0.605 5.065 4.460 -0.000 0.000 0.332 251 C C 0.592 175.657 174.990 0.124 0.000 1.248 251 C CA -1.030 58.039 59.018 0.084 0.000 1.727 251 C CB -0.102 27.706 27.740 0.113 0.000 2.348 251 C HN 0.738 nan 8.230 nan 0.000 0.519 252 R N 2.383 122.922 120.500 0.064 0.000 2.573 252 R HA 0.277 4.617 4.340 -0.000 0.000 0.272 252 R C 0.259 176.598 176.300 0.066 0.000 1.009 252 R CA -0.412 55.739 56.100 0.085 0.000 1.059 252 R CB 0.251 30.567 30.300 0.028 0.000 1.112 252 R HN 0.773 nan 8.270 nan 0.000 0.517 253 N N -1.208 117.537 118.700 0.075 0.000 2.758 253 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 253 N C -1.203 174.332 175.510 0.042 0.000 1.076 253 N CA 1.162 54.239 53.050 0.044 0.000 0.696 253 N CB -0.863 37.636 38.487 0.020 0.000 0.979 253 N HN 0.746 nan 8.380 nan 0.000 0.550 254 A N -0.187 122.668 122.820 0.058 0.000 2.288 254 A HA 0.748 5.068 4.320 -0.000 0.000 0.328 254 A C 0.056 177.645 177.584 0.008 0.000 1.123 254 A CA -0.452 51.610 52.037 0.041 0.000 0.861 254 A CB 1.289 20.326 19.000 0.063 0.000 1.272 254 A HN 0.213 nan 8.150 nan 0.000 0.490 255 Q N 0.582 120.380 119.800 -0.003 0.000 2.771 255 Q HA 0.316 4.656 4.340 -0.000 0.000 0.247 255 Q C -2.272 173.713 176.000 -0.025 0.000 0.986 255 Q CA -1.787 54.003 55.803 -0.022 0.000 0.713 255 Q CB 1.271 29.999 28.738 -0.016 0.000 1.241 255 Q HN 0.435 nan 8.270 nan 0.000 0.488 256 P HA -0.239 nan 4.420 nan 0.000 0.218 256 P C 0.618 177.903 177.300 -0.026 0.000 1.154 256 P CA 1.769 64.836 63.100 -0.055 0.000 0.872 256 P CB 0.177 31.805 31.700 -0.121 0.000 0.790 257 D N -1.358 119.028 120.400 -0.023 0.000 2.384 257 D HA -0.120 4.520 4.640 -0.000 0.000 0.222 257 D C 1.146 177.475 176.300 0.049 0.000 0.976 257 D CA 1.492 55.494 54.000 0.004 0.000 0.915 257 D CB -1.451 39.349 40.800 -0.000 0.000 0.896 257 D HN 0.252 nan 8.370 nan 0.000 0.523 258 T N -2.808 111.774 114.554 0.047 0.000 3.086 258 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 258 T C 1.276 176.045 174.700 0.115 0.000 1.074 258 T CA -0.243 61.910 62.100 0.089 0.000 0.988 258 T CB -0.225 68.643 68.868 0.000 0.000 0.988 258 T HN 0.189 nan 8.240 nan 0.000 0.530 259 L N 0.929 122.187 121.223 0.057 0.000 3.202 259 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 259 L C 0.799 177.677 176.870 0.014 0.000 1.268 259 L CA -0.307 54.550 54.840 0.029 0.000 1.034 259 L CB 0.501 42.574 42.059 0.023 0.000 1.407 259 L HN -0.016 nan 8.230 nan 0.000 0.581 260 D N 1.440 121.845 120.400 0.008 0.000 2.104 260 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 260 D C 2.161 178.461 176.300 -0.001 0.000 0.994 260 D CA 1.700 55.697 54.000 -0.004 0.000 0.830 260 D CB 0.233 41.019 40.800 -0.023 0.000 0.959 260 D HN 0.400 nan 8.370 nan 0.000 0.452 261 A N 0.648 123.455 122.820 -0.021 0.000 1.902 261 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 261 A C 2.585 180.193 177.584 0.040 0.000 1.181 261 A CA 1.313 53.356 52.037 0.009 0.000 0.623 261 A CB -0.760 18.240 19.000 -0.001 0.000 0.818 261 A HN 0.151 nan 8.150 nan 0.000 0.443 262 V N 0.252 120.144 119.914 -0.035 0.000 2.295 262 V HA -0.252 3.867 4.120 -0.000 0.000 0.246 262 V C 2.580 178.765 176.094 0.151 0.000 1.049 262 V CA 1.937 64.237 62.300 -0.001 0.000 1.024 262 V CB -0.778 31.011 31.823 -0.056 0.000 0.648 262 V HN 0.567 nan 8.190 nan 0.000 0.447 263 L N 0.099 121.383 121.223 0.100 0.000 2.046 263 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 263 L C 2.759 179.697 176.870 0.113 0.000 1.077 263 L CA 1.647 56.553 54.840 0.109 0.000 0.747 263 L CB -0.901 41.194 42.059 0.061 0.000 0.896 263 L HN 0.375 nan 8.230 nan 0.000 0.432 264 A N -0.183 122.689 122.820 0.088 0.000 1.933 264 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 264 A C 2.278 179.930 177.584 0.113 0.000 1.175 264 A CA 1.716 53.800 52.037 0.080 0.000 0.628 264 A CB -0.331 18.700 19.000 0.052 0.000 0.814 264 A HN 0.158 nan 8.150 nan 0.000 0.444 265 K N -0.261 120.232 120.400 0.155 0.000 2.103 265 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 265 K C 1.719 178.507 176.600 0.314 0.000 1.052 265 K CA 0.903 57.317 56.287 0.212 0.000 0.945 265 K CB -0.491 32.118 32.500 0.180 0.000 0.722 265 K HN 0.519 nan 8.250 nan 0.000 0.443 266 L N -0.087 121.335 121.223 0.331 0.000 2.109 266 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 266 L C 2.288 179.248 176.870 0.150 0.000 1.086 266 L CA 1.053 56.044 54.840 0.252 0.000 0.760 266 L CB -0.205 41.989 42.059 0.225 0.000 0.910 266 L HN 0.116 nan 8.230 nan 0.000 0.437 267 R N 0.105 120.684 120.500 0.130 0.000 2.075 267 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 267 R C 2.069 178.421 176.300 0.086 0.000 1.126 267 R CA 1.338 57.495 56.100 0.095 0.000 0.963 267 R CB -0.249 30.099 30.300 0.079 0.000 0.858 267 R HN 0.443 nan 8.270 nan 0.000 0.435 268 E N 0.321 120.577 120.200 0.093 0.000 2.204 268 E HA -0.122 4.227 4.350 -0.000 0.000 0.195 268 E C 1.626 178.271 176.600 0.076 0.000 0.990 268 E CA 0.931 57.377 56.400 0.076 0.000 0.821 268 E CB 0.033 29.777 29.700 0.073 0.000 0.750 268 E HN 0.329 nan 8.360 nan 0.000 0.477 269 A N 0.090 122.967 122.820 0.095 0.000 2.206 269 A HA 0.220 4.539 4.320 -0.000 0.000 0.211 269 A C 1.687 179.303 177.584 0.054 0.000 1.158 269 A CA 0.876 52.955 52.037 0.071 0.000 0.761 269 A CB -0.116 18.925 19.000 0.069 0.000 0.801 269 A HN 0.332 nan 8.150 nan 0.000 0.473 270 G N -2.437 106.401 108.800 0.063 0.000 2.148 270 G HA2 0.174 4.134 3.960 -0.000 0.000 0.203 270 G HA3 0.174 4.134 3.960 -0.000 0.000 0.203 270 G C 0.294 175.239 174.900 0.075 0.000 0.993 270 G CA 0.098 45.236 45.100 0.064 0.000 0.661 270 G HN 1.468 nan 8.290 nan 0.000 0.518 271 A N 0.075 122.938 122.820 0.072 0.000 2.354 271 A HA 0.607 4.926 4.320 -0.000 0.000 0.269 271 A C 0.049 177.683 177.584 0.083 0.000 1.109 271 A CA 0.451 52.528 52.037 0.066 0.000 0.800 271 A CB 0.693 19.727 19.000 0.057 0.000 1.045 271 A HN 0.561 nan 8.150 nan 0.000 0.489 272 D N 1.812 122.260 120.400 0.081 0.000 2.359 272 D HA 0.481 5.121 4.640 -0.000 0.000 0.230 272 D C -0.650 175.698 176.300 0.080 0.000 1.118 272 D CA 0.093 54.159 54.000 0.109 0.000 0.844 272 D CB 0.101 41.018 40.800 0.195 0.000 1.059 272 D HN 0.346 nan 8.370 nan 0.000 0.493 273 I N 3.204 123.826 120.570 0.087 0.000 2.474 273 I HA 0.364 4.533 4.170 -0.000 0.000 0.294 273 I C 0.032 176.203 176.117 0.090 0.000 1.005 273 I CA -0.861 60.492 61.300 0.087 0.000 1.113 273 I CB 1.780 39.825 38.000 0.075 0.000 1.289 273 I HN 0.216 nan 8.210 nan 0.000 0.436 274 E N 3.755 124.028 120.200 0.122 0.000 2.288 274 E HA 0.598 4.948 4.350 -0.000 0.000 0.268 274 E C -0.904 175.671 176.600 -0.042 0.000 0.885 274 E CA -0.587 55.883 56.400 0.116 0.000 0.767 274 E CB 2.631 32.507 29.700 0.293 0.000 1.220 274 E HN 0.686 nan 8.360 nan 0.000 0.427 275 T N -1.731 112.624 114.554 -0.331 0.000 2.909 275 T HA 0.806 5.155 4.350 -0.000 0.000 0.299 275 T C 0.170 174.164 174.700 -1.176 0.000 1.073 275 T CA -0.726 60.935 62.100 -0.732 0.000 0.999 275 T CB 2.069 70.713 68.868 -0.374 0.000 1.098 275 T HN 0.417 nan 8.240 nan 0.000 0.477 276 G N 0.328 108.030 108.800 -1.831 0.000 3.209 276 G HA2 0.503 4.462 3.960 -0.000 0.000 0.236 276 G HA3 0.503 4.462 3.960 -0.000 0.000 0.236 276 G C 0.329 174.820 174.900 -0.682 0.000 1.329 276 G CA -0.437 43.835 45.100 -1.380 0.000 1.015 276 G HN 0.731 nan 8.290 nan 0.000 0.571 277 E N -0.406 119.595 120.200 -0.332 0.000 2.072 277 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 277 E C 0.972 177.497 176.600 -0.125 0.000 0.982 277 E CA 1.990 58.300 56.400 -0.151 0.000 0.803 277 E CB 0.132 29.814 29.700 -0.031 0.000 0.755 277 E HN 0.455 nan 8.360 nan 0.000 0.453 278 D N -0.989 119.367 120.400 -0.073 0.000 2.673 278 D HA 0.075 4.715 4.640 -0.000 0.000 0.278 278 D C -0.393 175.986 176.300 0.131 0.000 1.393 278 D CA -0.571 53.443 54.000 0.024 0.000 0.805 278 D CB -0.804 40.044 40.800 0.079 0.000 1.110 278 D HN 0.310 nan 8.370 nan 0.000 0.476 279 W N -0.054 121.249 121.300 0.004 0.000 3.118 279 W HA 0.693 5.353 4.660 0.000 0.000 0.328 279 W C -2.015 174.512 176.519 0.013 0.000 1.239 279 W CA -1.337 56.010 57.345 0.005 0.000 1.176 279 W CB 0.561 30.021 29.460 -0.001 0.000 1.433 279 W HN -0.305 nan 8.180 nan 0.000 0.562 280 I N 2.959 123.738 120.570 0.347 0.000 2.607 280 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 280 I C -0.250 176.097 176.117 0.383 0.000 1.129 280 I CA -0.703 60.726 61.300 0.216 0.000 1.042 280 I CB 2.571 40.627 38.000 0.093 0.000 1.242 280 I HN 0.460 nan 8.210 nan 0.000 0.421 281 S N 6.907 122.853 115.700 0.410 0.000 2.503 281 S HA 0.854 5.324 4.470 -0.000 0.000 0.301 281 S C -1.008 173.691 174.600 0.165 0.000 1.087 281 S CA -0.737 57.630 58.200 0.279 0.000 1.042 281 S CB 2.395 65.769 63.200 0.291 0.000 1.043 281 S HN 0.642 nan 8.310 nan 0.000 0.489 282 L N 2.135 123.415 121.223 0.095 0.000 2.436 282 L HA 0.661 5.001 4.340 -0.000 0.000 0.268 282 L C -1.931 174.929 176.870 -0.016 0.000 0.974 282 L CA -0.302 54.569 54.840 0.052 0.000 0.826 282 L CB 1.904 44.000 42.059 0.062 0.000 1.291 282 L HN 0.828 nan 8.230 nan 0.000 0.406 283 D N 4.946 125.296 120.400 -0.083 0.000 2.593 283 D HA 0.287 4.926 4.640 -0.000 0.000 0.251 283 D C 0.212 176.341 176.300 -0.284 0.000 1.140 283 D CA -0.418 53.430 54.000 -0.252 0.000 0.855 283 D CB 1.932 42.462 40.800 -0.451 0.000 1.267 283 D HN 0.501 nan 8.370 nan 0.000 0.532 284 M N 1.711 121.194 119.600 -0.194 0.000 2.502 284 M HA 0.025 4.505 4.480 -0.000 0.000 0.243 284 M C 0.146 176.443 176.300 -0.006 0.000 1.130 284 M CA 0.201 55.457 55.300 -0.073 0.000 1.055 284 M CB -0.667 31.917 32.600 -0.026 0.000 1.457 284 M HN 0.490 nan 8.290 nan 0.000 0.488 285 H N 0.118 119.200 119.070 0.019 0.000 2.713 285 H HA -0.171 4.385 4.556 -0.000 0.000 0.311 285 H C 1.353 176.688 175.328 0.011 0.000 1.175 285 H CA 0.977 57.034 56.048 0.015 0.000 1.143 285 H CB -2.134 27.638 29.762 0.017 0.000 1.434 285 H HN 0.642 nan 8.280 nan 0.000 0.418 286 G N -0.515 108.326 108.800 0.068 0.000 2.196 286 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.268 286 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.268 286 G C 0.551 175.476 174.900 0.042 0.000 0.975 286 G CA 0.924 46.052 45.100 0.046 0.000 0.648 286 G HN 0.542 nan 8.290 nan 0.000 0.538 287 K N 0.105 120.539 120.400 0.056 0.000 2.219 287 K HA 0.368 4.688 4.320 -0.000 0.000 0.258 287 K C 0.810 177.423 176.600 0.023 0.000 1.008 287 K CA -0.527 55.786 56.287 0.044 0.000 0.928 287 K CB 0.779 33.315 32.500 0.060 0.000 0.983 287 K HN 0.311 nan 8.250 nan 0.000 0.484 288 R N 2.656 123.166 120.500 0.018 0.000 2.410 288 R HA 0.203 4.543 4.340 -0.000 0.000 0.288 288 R C -2.215 174.090 176.300 0.007 0.000 1.051 288 R CA -1.537 54.567 56.100 0.007 0.000 1.021 288 R CB 0.618 30.922 30.300 0.007 0.000 1.032 288 R HN 0.379 nan 8.270 nan 0.000 0.481 289 P HA 0.054 nan 4.420 nan 0.000 0.272 289 P C -1.436 175.867 177.300 0.005 0.000 1.223 289 P CA -0.105 62.992 63.100 -0.004 0.000 0.784 289 P CB 0.811 32.492 31.700 -0.032 0.000 0.923 290 K N 1.475 121.884 120.400 0.016 0.000 2.156 290 K HA 0.510 4.830 4.320 -0.000 0.000 0.271 290 K C -0.174 176.439 176.600 0.020 0.000 0.995 290 K CA -0.747 55.552 56.287 0.020 0.000 0.890 290 K CB 0.944 33.461 32.500 0.027 0.000 1.073 290 K HN 0.528 nan 8.250 nan 0.000 0.454 291 A N 2.966 125.794 122.820 0.014 0.000 2.540 291 A HA 0.249 4.569 4.320 -0.000 0.000 0.239 291 A C 0.008 177.604 177.584 0.020 0.000 1.061 291 A CA -0.123 51.920 52.037 0.010 0.000 0.758 291 A CB -0.160 18.837 19.000 -0.004 0.000 0.991 291 A HN 0.614 nan 8.150 nan 0.000 0.502 292 V N -0.157 119.775 119.914 0.031 0.000 3.126 292 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 292 V C -0.047 176.044 176.094 -0.006 0.000 1.138 292 V CA -0.654 61.666 62.300 0.033 0.000 1.034 292 V CB 1.710 33.588 31.823 0.092 0.000 1.075 292 V HN 0.774 nan 8.190 nan 0.000 0.442 293 T N 1.398 115.932 114.554 -0.033 0.000 2.797 293 T HA 0.751 5.101 4.350 -0.000 0.000 0.279 293 T C -0.701 173.914 174.700 -0.143 0.000 0.991 293 T CA -0.320 61.737 62.100 -0.072 0.000 0.979 293 T CB 1.429 70.266 68.868 -0.053 0.000 0.943 293 T HN 0.754 nan 8.240 nan 0.000 0.444 294 V N 3.415 123.204 119.914 -0.208 0.000 2.709 294 V HA 0.630 4.749 4.120 -0.000 0.000 0.308 294 V C -0.340 175.598 176.094 -0.259 0.000 1.062 294 V CA -0.970 61.093 62.300 -0.395 0.000 0.901 294 V CB 2.249 33.596 31.823 -0.793 0.000 1.003 294 V HN 0.744 nan 8.190 nan 0.000 0.425 295 R N 2.365 122.737 120.500 -0.213 0.000 2.473 295 R HA 0.515 4.854 4.340 -0.000 0.000 0.303 295 R C -0.093 176.208 176.300 0.002 0.000 1.002 295 R CA -0.291 55.765 56.100 -0.073 0.000 0.884 295 R CB 1.619 31.896 30.300 -0.038 0.000 1.173 295 R HN 0.938 nan 8.270 nan 0.000 0.464 296 T N 1.034 115.628 114.554 0.067 0.000 2.898 296 T HA 0.703 5.053 4.350 -0.000 0.000 0.301 296 T C 0.140 174.886 174.700 0.077 0.000 1.049 296 T CA -0.109 62.091 62.100 0.167 0.000 1.095 296 T CB 1.601 70.580 68.868 0.185 0.000 0.976 296 T HN 0.692 nan 8.240 nan 0.000 0.539 297 A N 2.631 125.493 122.820 0.070 0.000 2.544 297 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 297 A C -3.182 174.414 177.584 0.020 0.000 1.055 297 A CA -1.630 50.419 52.037 0.019 0.000 0.651 297 A CB 0.068 19.075 19.000 0.012 0.000 1.296 297 A HN 0.661 nan 8.150 nan 0.000 0.431 298 P HA 0.255 nan 4.420 nan 0.000 0.267 298 P C -0.284 177.047 177.300 0.051 0.000 1.200 298 P CA 0.409 63.526 63.100 0.028 0.000 0.772 298 P CB 0.137 31.846 31.700 0.015 0.000 0.855 299 H N 4.467 123.529 119.070 -0.013 0.000 3.016 299 H HA -0.009 4.546 4.556 -0.000 0.000 0.345 299 H C -1.197 174.125 175.328 -0.010 0.000 1.066 299 H CA -0.521 55.518 56.048 -0.016 0.000 1.390 299 H CB 0.237 29.989 29.762 -0.016 0.000 1.344 299 H HN 0.329 nan 8.280 nan 0.000 0.605 300 P HA 0.125 nan 4.420 nan 0.000 0.255 300 P C -0.435 176.645 177.300 -0.368 0.000 1.357 300 P CA 0.185 62.713 63.100 -0.953 0.000 0.839 300 P CB -0.156 31.116 31.700 -0.714 0.000 1.356 301 A N 0.421 123.143 122.820 -0.163 0.000 2.292 301 A HA 0.265 4.584 4.320 -0.000 0.000 0.265 301 A C -0.195 177.394 177.584 0.009 0.000 1.133 301 A CA -0.552 51.459 52.037 -0.043 0.000 0.807 301 A CB -0.492 18.509 19.000 0.001 0.000 1.102 301 A HN 0.188 nan 8.150 nan 0.000 0.502 302 F N 1.686 121.584 119.950 -0.087 0.000 2.578 302 F HA 0.302 4.829 4.527 -0.000 0.000 0.381 302 F C -1.673 174.094 175.800 -0.054 0.000 1.069 302 F CA -1.406 56.530 58.000 -0.107 0.000 1.231 302 F CB 0.653 39.555 39.000 -0.162 0.000 1.086 302 F HN 0.268 nan 8.300 nan 0.000 0.564 303 P HA 0.007 nan 4.420 nan 0.000 0.280 303 P C 0.182 177.461 177.300 -0.036 0.000 1.244 303 P CA -0.181 62.819 63.100 -0.166 0.000 0.784 303 P CB 1.591 33.172 31.700 -0.199 0.000 0.913 304 T N 0.859 115.477 114.554 0.107 0.000 2.929 304 T HA -0.103 4.247 4.350 -0.000 0.000 0.271 304 T C 0.880 175.682 174.700 0.170 0.000 1.085 304 T CA 1.442 63.661 62.100 0.198 0.000 1.125 304 T CB -0.673 68.330 68.868 0.226 0.000 0.874 304 T HN 0.299 nan 8.240 nan 0.000 0.494 305 D N 0.472 120.925 120.400 0.089 0.000 2.363 305 D HA 0.069 4.709 4.640 -0.000 0.000 0.226 305 D C 1.255 177.585 176.300 0.051 0.000 1.020 305 D CA 0.437 54.474 54.000 0.062 0.000 0.892 305 D CB 0.142 40.960 40.800 0.030 0.000 0.900 305 D HN 0.411 nan 8.370 nan 0.000 0.531 306 M N -0.177 119.444 119.600 0.035 0.000 2.313 306 M HA 0.060 4.540 4.480 -0.000 0.000 0.273 306 M C 1.631 178.182 176.300 0.419 0.000 1.049 306 M CA 0.081 55.447 55.300 0.110 0.000 1.004 306 M CB 0.501 32.959 32.600 -0.237 0.000 1.461 306 M HN -0.040 nan 8.290 nan 0.000 0.514 307 Q N 1.051 121.096 119.800 0.408 0.000 2.050 307 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 307 Q C 1.746 177.907 176.000 0.269 0.000 0.980 307 Q CA 2.130 58.199 55.803 0.443 0.000 0.840 307 Q CB 0.104 29.066 28.738 0.373 0.000 0.898 307 Q HN 0.459 nan 8.270 nan 0.000 0.424 308 A N 0.568 123.396 122.820 0.014 0.000 1.902 308 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 308 A C 2.011 179.519 177.584 -0.127 0.000 1.181 308 A CA 1.737 53.494 52.037 -0.468 0.000 0.623 308 A CB -0.507 18.057 19.000 -0.727 0.000 0.818 308 A HN 0.471 nan 8.150 nan 0.000 0.443 309 Q N -1.127 118.699 119.800 0.043 0.000 2.050 309 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 309 Q C 1.653 177.702 176.000 0.081 0.000 0.980 309 Q CA 1.742 57.583 55.803 0.063 0.000 0.840 309 Q CB -0.478 28.327 28.738 0.113 0.000 0.898 309 Q HN 0.676 nan 8.270 nan 0.000 0.424 310 F N 0.105 120.130 119.950 0.125 0.000 2.407 310 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 310 F C 2.147 177.977 175.800 0.051 0.000 1.097 310 F CA 1.110 59.176 58.000 0.111 0.000 1.422 310 F CB -0.346 38.749 39.000 0.159 0.000 1.067 310 F HN 0.029 nan 8.300 nan 0.000 0.539 311 T N 0.422 115.104 114.554 0.214 0.000 2.777 311 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 311 T C 2.033 176.782 174.700 0.082 0.000 1.040 311 T CA 1.280 63.476 62.100 0.160 0.000 1.141 311 T CB -0.513 68.554 68.868 0.332 0.000 0.868 311 T HN 0.147 nan 8.240 nan 0.000 0.444 312 L N 1.337 122.599 121.223 0.064 0.000 2.017 312 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 312 L C 2.215 179.059 176.870 -0.042 0.000 1.073 312 L CA 1.523 56.368 54.840 0.008 0.000 0.745 312 L CB -0.940 41.109 42.059 -0.017 0.000 0.894 312 L HN 0.261 nan 8.230 nan 0.000 0.432 313 L N -0.331 120.833 121.223 -0.097 0.000 2.013 313 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 313 L C 2.220 179.044 176.870 -0.076 0.000 1.073 313 L CA 1.869 56.621 54.840 -0.147 0.000 0.753 313 L CB -0.551 41.304 42.059 -0.340 0.000 0.890 313 L HN 0.403 nan 8.230 nan 0.000 0.432 314 N N -0.124 118.554 118.700 -0.037 0.000 2.244 314 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 314 N C 1.791 177.283 175.510 -0.029 0.000 1.016 314 N CA 1.255 54.291 53.050 -0.023 0.000 0.866 314 N CB -0.301 38.177 38.487 -0.014 0.000 0.980 314 N HN 0.392 nan 8.380 nan 0.000 0.430 315 L N 0.449 121.655 121.223 -0.028 0.000 2.465 315 L HA -0.022 4.317 4.340 -0.000 0.000 0.224 315 L C 1.391 178.240 176.870 -0.034 0.000 1.145 315 L CA 0.516 55.338 54.840 -0.030 0.000 0.834 315 L CB -0.020 42.021 42.059 -0.030 0.000 0.944 315 L HN 0.066 nan 8.230 nan 0.000 0.451 316 V N -4.826 115.067 119.914 -0.034 0.000 3.276 316 V HA 0.511 4.630 4.120 -0.000 0.000 0.319 316 V C 0.771 176.852 176.094 -0.022 0.000 1.427 316 V CA -0.245 62.036 62.300 -0.032 0.000 1.102 316 V CB -0.293 31.507 31.823 -0.038 0.000 1.020 316 V HN 0.103 nan 8.190 nan 0.000 0.456 317 A N 0.428 123.237 122.820 -0.019 0.000 2.252 317 A HA 0.742 5.062 4.320 -0.000 0.000 0.305 317 A C -0.105 177.482 177.584 0.005 0.000 1.097 317 A CA -0.503 51.528 52.037 -0.010 0.000 0.849 317 A CB 0.822 19.815 19.000 -0.012 0.000 1.142 317 A HN 0.444 nan 8.150 nan 0.000 0.499 318 E N -0.446 119.760 120.200 0.010 0.000 2.194 318 E HA 0.487 4.837 4.350 -0.000 0.000 0.284 318 E C 0.497 177.110 176.600 0.020 0.000 1.035 318 E CA 1.474 57.885 56.400 0.018 0.000 0.836 318 E CB 0.540 30.251 29.700 0.018 0.000 1.070 318 E HN 1.463 nan 8.360 nan 0.000 0.401 319 G N 2.525 111.344 108.800 0.031 0.000 2.483 319 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.521 319 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.521 319 G C -0.684 174.228 174.900 0.021 0.000 1.278 319 G CA -0.550 44.569 45.100 0.030 0.000 0.965 319 G HN 0.496 nan 8.290 nan 0.000 0.504 320 T N 1.169 115.725 114.554 0.004 0.000 2.733 320 T HA 0.634 4.984 4.350 -0.000 0.000 0.294 320 T C 0.685 175.339 174.700 -0.076 0.000 0.956 320 T CA 0.552 62.618 62.100 -0.056 0.000 0.987 320 T CB 1.262 70.112 68.868 -0.030 0.000 0.920 320 T HN 1.453 nan 8.240 nan 0.000 0.470 321 G N 1.625 110.357 108.800 -0.114 0.000 2.420 321 G HA2 0.616 4.576 3.960 -0.000 0.000 0.331 321 G HA3 0.616 4.576 3.960 -0.000 0.000 0.331 321 G C -1.098 173.733 174.900 -0.113 0.000 1.168 321 G CA -0.537 44.512 45.100 -0.084 0.000 0.936 321 G HN 0.637 nan 8.290 nan 0.000 0.479 322 V N 3.288 123.151 119.914 -0.086 0.000 2.444 322 V HA 0.408 4.528 4.120 -0.000 0.000 0.294 322 V C -0.574 175.473 176.094 -0.078 0.000 1.022 322 V CA -0.784 61.464 62.300 -0.088 0.000 0.850 322 V CB 1.552 33.335 31.823 -0.067 0.000 0.992 322 V HN 0.561 nan 8.190 nan 0.000 0.426 323 I N 3.669 124.195 120.570 -0.074 0.000 2.362 323 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 323 I C 0.076 176.230 176.117 0.061 0.000 0.994 323 I CA -0.038 61.242 61.300 -0.033 0.000 1.158 323 I CB 1.824 39.820 38.000 -0.006 0.000 1.315 323 I HN 0.520 nan 8.210 nan 0.000 0.451 324 T N 4.938 119.534 114.554 0.069 0.000 2.786 324 T HA 0.289 4.639 4.350 -0.000 0.000 0.283 324 T C -0.198 174.587 174.700 0.142 0.000 0.992 324 T CA -0.484 61.694 62.100 0.129 0.000 0.954 324 T CB 1.711 70.609 68.868 0.050 0.000 0.934 324 T HN 0.435 nan 8.240 nan 0.000 0.440 325 E N 2.037 122.349 120.200 0.188 0.000 2.092 325 E HA 0.376 4.726 4.350 -0.000 0.000 0.271 325 E C 0.895 177.492 176.600 -0.005 0.000 0.919 325 E CA -0.587 55.857 56.400 0.074 0.000 0.760 325 E CB 0.756 30.418 29.700 -0.064 0.000 1.106 325 E HN 0.642 nan 8.360 nan 0.000 0.408 326 T N 2.249 116.796 114.554 -0.012 0.000 3.054 326 T HA 0.177 4.527 4.350 -0.000 0.000 0.255 326 T C 1.149 175.784 174.700 -0.108 0.000 1.035 326 T CA -0.093 61.979 62.100 -0.047 0.000 0.941 326 T CB -0.022 68.827 68.868 -0.032 0.000 1.026 326 T HN 0.381 nan 8.240 nan 0.000 0.533 327 I N -0.049 120.428 120.570 -0.155 0.000 2.499 327 I HA 0.380 4.550 4.170 -0.000 0.000 0.243 327 I C 0.357 176.157 176.117 -0.527 0.000 1.085 327 I CA 0.140 61.214 61.300 -0.377 0.000 1.422 327 I CB -0.739 36.976 38.000 -0.474 0.000 1.165 327 I HN 0.207 nan 8.210 nan 0.000 0.440 328 F N 2.238 122.151 119.950 -0.063 0.000 2.469 328 F HA 0.217 4.744 4.527 -0.000 0.000 0.332 328 F C 1.610 177.327 175.800 -0.138 0.000 1.103 328 F CA -0.718 57.231 58.000 -0.084 0.000 0.979 328 F CB 1.248 40.203 39.000 -0.074 0.000 1.137 328 F HN 0.056 nan 8.300 nan 0.000 0.463 329 E N 1.171 121.414 120.200 0.071 0.000 2.481 329 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 329 E C -0.235 176.317 176.600 -0.080 0.000 1.047 329 E CA 0.700 57.079 56.400 -0.034 0.000 0.867 329 E CB -0.044 29.648 29.700 -0.013 0.000 0.858 329 E HN 0.713 nan 8.360 nan 0.000 0.513 330 N N 0.528 119.193 118.700 -0.057 0.000 2.646 330 N HA 0.116 4.856 4.740 -0.000 0.000 0.303 330 N C -0.562 174.895 175.510 -0.089 0.000 1.921 330 N CA -0.181 52.821 53.050 -0.080 0.000 0.872 330 N CB 0.442 38.908 38.487 -0.035 0.000 1.327 330 N HN -0.054 nan 8.380 nan 0.000 0.492 331 R N 0.884 121.273 120.500 -0.186 0.000 2.997 331 R HA 0.256 4.596 4.340 -0.000 0.000 0.358 331 R C -0.564 175.812 176.300 0.127 0.000 1.191 331 R CA -0.138 55.930 56.100 -0.054 0.000 1.113 331 R CB -0.082 30.220 30.300 0.003 0.000 1.433 331 R HN 0.278 nan 8.270 nan 0.000 0.584 332 F N -0.347 119.654 119.950 0.084 0.000 2.775 332 F HA 0.156 4.683 4.527 -0.000 0.000 0.313 332 F C 1.305 176.987 175.800 -0.197 0.000 1.121 332 F CA -0.481 57.466 58.000 -0.088 0.000 1.206 332 F CB 0.698 39.642 39.000 -0.094 0.000 1.052 332 F HN 0.090 nan 8.300 nan 0.000 0.524 333 M N 0.247 119.937 119.600 0.149 0.000 2.358 333 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 333 M C 2.413 178.738 176.300 0.042 0.000 1.064 333 M CA 1.341 56.681 55.300 0.067 0.000 1.093 333 M CB -0.595 32.035 32.600 0.050 0.000 1.401 333 M HN 0.316 nan 8.290 nan 0.000 0.440 334 H N -1.031 118.073 119.070 0.056 0.000 2.462 334 H HA 0.023 4.579 4.556 -0.000 0.000 0.292 334 H C 2.017 177.357 175.328 0.020 0.000 1.049 334 H CA 1.118 57.182 56.048 0.026 0.000 1.334 334 H CB -1.216 28.565 29.762 0.032 0.000 1.404 334 H HN 0.237 nan 8.280 nan 0.000 0.544 335 V N 2.486 122.130 119.914 -0.450 0.000 2.255 335 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 335 V C -0.251 175.774 176.094 -0.115 0.000 1.051 335 V CA 2.321 64.445 62.300 -0.294 0.000 1.018 335 V CB -1.434 30.176 31.823 -0.356 0.000 0.641 335 V HN 0.412 nan 8.190 nan 0.000 0.445 336 P HA -0.119 nan 4.420 nan 0.000 0.218 336 P C 1.525 178.816 177.300 -0.015 0.000 1.148 336 P CA 1.164 64.245 63.100 -0.031 0.000 0.822 336 P CB -0.010 31.681 31.700 -0.015 0.000 0.784 337 E N -0.520 119.675 120.200 -0.008 0.000 2.072 337 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 337 E C 2.118 178.721 176.600 0.004 0.000 0.982 337 E CA 0.862 57.266 56.400 0.007 0.000 0.803 337 E CB -0.885 28.828 29.700 0.022 0.000 0.755 337 E HN 0.318 nan 8.360 nan 0.000 0.453 338 L N 0.590 121.815 121.223 0.003 0.000 2.141 338 L HA -0.084 4.255 4.340 -0.000 0.000 0.209 338 L C 2.476 179.332 176.870 -0.022 0.000 1.094 338 L CA 0.618 55.456 54.840 -0.003 0.000 0.763 338 L CB -0.308 41.757 42.059 0.009 0.000 0.908 338 L HN 0.072 nan 8.230 nan 0.000 0.437 339 I N -0.505 120.052 120.570 -0.021 0.000 2.361 339 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 339 I C 2.604 178.718 176.117 -0.006 0.000 1.133 339 I CA 1.086 62.379 61.300 -0.011 0.000 1.413 339 I CB -0.233 37.770 38.000 0.005 0.000 1.073 339 I HN 0.207 nan 8.210 nan 0.000 0.424 340 R N 0.222 120.720 120.500 -0.004 0.000 2.193 340 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 340 R C 1.841 178.136 176.300 -0.007 0.000 1.110 340 R CA 1.075 57.175 56.100 0.001 0.000 0.988 340 R CB -0.100 30.203 30.300 0.004 0.000 0.871 340 R HN 0.365 nan 8.270 nan 0.000 0.458 341 M N -0.900 118.689 119.600 -0.018 0.000 2.494 341 M HA 0.158 4.638 4.480 -0.000 0.000 0.232 341 M C 0.669 176.938 176.300 -0.052 0.000 1.137 341 M CA 0.446 55.730 55.300 -0.026 0.000 1.012 341 M CB 1.264 33.850 32.600 -0.022 0.000 1.567 341 M HN 0.399 nan 8.290 nan 0.000 0.486 342 G N 0.398 109.157 108.800 -0.067 0.000 2.179 342 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 342 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 342 G C 0.173 174.887 174.900 -0.310 0.000 0.990 342 G CA -0.092 44.928 45.100 -0.133 0.000 0.646 342 G HN 0.643 nan 8.290 nan 0.000 0.517 343 A N 0.376 123.068 122.820 -0.213 0.000 2.366 343 A HA 0.656 4.975 4.320 -0.000 0.000 0.249 343 A C 0.042 177.495 177.584 -0.219 0.000 1.084 343 A CA -0.030 51.866 52.037 -0.235 0.000 0.794 343 A CB 0.285 19.229 19.000 -0.093 0.000 1.034 343 A HN 0.517 nan 8.150 nan 0.000 0.491 344 H N -0.146 118.943 119.070 0.031 0.000 2.646 344 H HA 0.708 5.264 4.556 -0.000 0.000 0.328 344 H C -0.174 175.213 175.328 0.098 0.000 0.998 344 H CA 0.155 56.240 56.048 0.061 0.000 1.225 344 H CB 1.307 31.115 29.762 0.077 0.000 1.457 344 H HN 0.953 nan 8.280 nan 0.000 0.505 345 A N 2.684 125.617 122.820 0.188 0.000 2.612 345 A HA 0.637 4.957 4.320 -0.000 0.000 0.293 345 A C -1.247 176.367 177.584 0.050 0.000 1.075 345 A CA -0.829 51.259 52.037 0.085 0.000 0.680 345 A CB 1.816 20.790 19.000 -0.044 0.000 1.279 345 A HN 0.533 nan 8.150 nan 0.000 0.411 346 E N 0.313 120.518 120.200 0.009 0.000 2.272 346 E HA 0.624 4.973 4.350 -0.000 0.000 0.269 346 E C -1.208 175.354 176.600 -0.064 0.000 0.877 346 E CA -0.222 56.176 56.400 -0.003 0.000 0.755 346 E CB 2.132 31.857 29.700 0.041 0.000 1.192 346 E HN 0.536 nan 8.360 nan 0.000 0.422 347 I N 2.088 122.625 120.570 -0.055 0.000 2.331 347 I HA 0.313 4.482 4.170 -0.000 0.000 0.292 347 I C -0.289 175.837 176.117 0.014 0.000 0.998 347 I CA -0.572 60.696 61.300 -0.054 0.000 1.267 347 I CB 1.264 39.260 38.000 -0.007 0.000 1.386 347 I HN 0.360 nan 8.210 nan 0.000 0.476 348 E N 5.217 125.437 120.200 0.033 0.000 2.267 348 E HA 0.379 4.729 4.350 -0.000 0.000 0.248 348 E C -0.040 176.608 176.600 0.080 0.000 0.899 348 E CA 0.048 56.476 56.400 0.045 0.000 0.764 348 E CB 1.122 30.838 29.700 0.026 0.000 1.227 348 E HN 0.649 nan 8.360 nan 0.000 0.421 349 S N 3.864 119.615 115.700 0.085 0.000 4.114 349 S HA -0.312 4.158 4.470 -0.000 0.000 0.618 349 S C 0.688 175.381 174.600 0.155 0.000 1.937 349 S CA 1.743 59.996 58.200 0.088 0.000 4.228 349 S CB -1.190 62.046 63.200 0.059 0.000 0.216 349 S HN 0.760 nan 8.310 nan 0.000 0.528 350 N N 1.808 120.591 118.700 0.139 0.000 2.327 350 N HA 0.248 4.988 4.740 -0.000 0.000 0.231 350 N C -0.409 175.317 175.510 0.359 0.000 1.130 350 N CA 0.436 53.600 53.050 0.190 0.000 0.845 350 N CB 0.026 38.540 38.487 0.046 0.000 1.073 350 N HN 0.436 nan 8.380 nan 0.000 0.496 351 T N 0.124 114.860 114.554 0.303 0.000 2.861 351 T HA 0.412 4.762 4.350 -0.000 0.000 0.287 351 T C -0.709 173.979 174.700 -0.021 0.000 1.003 351 T CA -0.496 61.707 62.100 0.172 0.000 0.977 351 T CB 2.497 71.406 68.868 0.069 0.000 0.996 351 T HN -0.125 nan 8.240 nan 0.000 0.448 352 V N 4.388 124.162 119.914 -0.233 0.000 2.417 352 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 352 V C -0.130 175.831 176.094 -0.223 0.000 1.024 352 V CA -0.803 61.267 62.300 -0.383 0.000 0.861 352 V CB 1.312 32.719 31.823 -0.694 0.000 0.985 352 V HN 0.775 nan 8.190 nan 0.000 0.436 353 I N 4.415 124.877 120.570 -0.181 0.000 2.304 353 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 353 I C -0.178 175.753 176.117 -0.310 0.000 1.018 353 I CA -0.062 61.115 61.300 -0.205 0.000 1.260 353 I CB 0.868 38.790 38.000 -0.129 0.000 1.390 353 I HN 0.540 nan 8.210 nan 0.000 0.475 354 C N 5.447 124.537 119.300 -0.350 0.000 2.341 354 C HA 0.432 4.891 4.460 -0.000 0.000 0.338 354 C C 0.139 174.845 174.990 -0.473 0.000 1.257 354 C CA -0.624 58.208 59.018 -0.310 0.000 1.883 354 C CB 0.248 27.895 27.740 -0.156 0.000 2.334 354 C HN 0.621 nan 8.230 nan 0.000 0.524 355 H N 1.342 120.426 119.070 0.024 0.000 2.736 355 H HA 0.275 4.831 4.556 -0.000 0.000 0.271 355 H C 0.603 175.962 175.328 0.051 0.000 1.184 355 H CA -0.002 56.074 56.048 0.046 0.000 1.378 355 H CB 0.942 30.748 29.762 0.074 0.000 1.428 355 H HN 0.969 nan 8.280 nan 0.000 0.500 356 G N 1.954 110.801 108.800 0.078 0.000 2.321 356 G HA2 0.233 4.193 3.960 -0.000 0.000 0.237 356 G HA3 0.233 4.193 3.960 -0.000 0.000 0.237 356 G C 0.558 175.489 174.900 0.052 0.000 1.282 356 G CA -0.043 45.081 45.100 0.041 0.000 0.886 356 G HN 0.416 nan 8.290 nan 0.000 0.528 357 V N 0.235 120.151 119.914 0.003 0.000 3.019 357 V HA 0.652 4.772 4.120 -0.000 0.000 0.317 357 V C 1.127 177.212 176.094 -0.014 0.000 1.094 357 V CA -0.556 61.740 62.300 -0.008 0.000 1.000 357 V CB 1.982 33.751 31.823 -0.091 0.000 1.060 357 V HN 0.681 nan 8.190 nan 0.000 0.443 358 E N 1.419 121.616 120.200 -0.006 0.000 2.017 358 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 358 E C 0.350 176.940 176.600 -0.017 0.000 0.997 358 E CA 1.706 58.102 56.400 -0.006 0.000 0.804 358 E CB 0.145 29.846 29.700 0.001 0.000 0.757 358 E HN 0.681 nan 8.360 nan 0.000 0.448 359 K N -0.134 120.252 120.400 -0.024 0.000 2.464 359 K HA 0.355 4.675 4.320 -0.000 0.000 0.253 359 K C -0.683 175.893 176.600 -0.041 0.000 0.933 359 K CA -0.601 55.669 56.287 -0.027 0.000 0.801 359 K CB 1.755 34.245 32.500 -0.018 0.000 1.271 359 K HN 0.068 nan 8.250 nan 0.000 0.430 360 L N 0.855 122.053 121.223 -0.041 0.000 2.439 360 L HA 0.415 4.755 4.340 -0.000 0.000 0.259 360 L C 0.318 177.168 176.870 -0.033 0.000 1.129 360 L CA -0.559 54.252 54.840 -0.048 0.000 0.803 360 L CB 1.135 43.169 42.059 -0.043 0.000 1.161 360 L HN 0.469 nan 8.230 nan 0.000 0.462 361 S N -0.211 115.470 115.700 -0.031 0.000 2.472 361 S HA 0.473 4.943 4.470 -0.000 0.000 0.303 361 S C 0.183 174.775 174.600 -0.013 0.000 1.099 361 S CA -0.705 57.484 58.200 -0.018 0.000 1.077 361 S CB 1.698 64.888 63.200 -0.015 0.000 1.031 361 S HN 0.770 nan 8.310 nan 0.000 0.487 362 G N 1.302 110.098 108.800 -0.007 0.000 2.432 362 G HA2 0.506 4.466 3.960 -0.000 0.000 0.239 362 G HA3 0.506 4.466 3.960 -0.000 0.000 0.239 362 G C -0.235 174.665 174.900 0.001 0.000 1.291 362 G CA 0.115 45.214 45.100 -0.002 0.000 0.863 362 G HN 1.007 nan 8.290 nan 0.000 0.560 363 A N 1.863 124.686 122.820 0.005 0.000 2.564 363 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 363 A C -0.631 176.961 177.584 0.014 0.000 1.102 363 A CA -0.789 51.253 52.037 0.008 0.000 0.660 363 A CB 0.899 19.902 19.000 0.005 0.000 1.283 363 A HN 0.656 nan 8.150 nan 0.000 0.430 364 Q N 0.416 120.225 119.800 0.015 0.000 2.294 364 Q HA 0.506 4.846 4.340 -0.000 0.000 0.257 364 Q C -0.137 175.874 176.000 0.018 0.000 0.955 364 Q CA -0.479 55.335 55.803 0.020 0.000 0.936 364 Q CB 1.433 30.183 28.738 0.020 0.000 1.188 364 Q HN 0.942 nan 8.270 nan 0.000 0.420 365 V N -0.342 119.584 119.914 0.020 0.000 3.141 365 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 365 V C -0.798 175.306 176.094 0.017 0.000 1.157 365 V CA -1.292 61.019 62.300 0.017 0.000 1.041 365 V CB 2.303 34.135 31.823 0.015 0.000 1.071 365 V HN 0.831 nan 8.190 nan 0.000 0.441 366 M N 2.489 122.097 119.600 0.014 0.000 2.253 366 M HA 0.798 5.278 4.480 -0.000 0.000 0.314 366 M C -0.145 176.153 176.300 -0.003 0.000 1.019 366 M CA -0.639 54.669 55.300 0.013 0.000 0.932 366 M CB 1.530 34.144 32.600 0.023 0.000 1.606 366 M HN 1.219 nan 8.290 nan 0.000 0.430 367 A N 2.865 125.675 122.820 -0.017 0.000 2.440 367 A HA 0.458 4.778 4.320 -0.000 0.000 0.251 367 A C 0.812 178.327 177.584 -0.114 0.000 1.089 367 A CA 0.093 52.088 52.037 -0.069 0.000 0.779 367 A CB 0.010 18.963 19.000 -0.078 0.000 1.022 367 A HN 0.958 nan 8.150 nan 0.000 0.492 368 T N -1.379 113.027 114.554 -0.248 0.000 2.955 368 T HA 0.340 4.690 4.350 -0.000 0.000 0.251 368 T C 0.057 174.331 174.700 -0.709 0.000 1.002 368 T CA 0.669 62.580 62.100 -0.315 0.000 0.970 368 T CB -0.376 68.418 68.868 -0.124 0.000 1.091 368 T HN 0.850 nan 8.240 nan 0.000 0.495 369 D N -0.750 119.209 120.400 -0.734 0.000 2.665 369 D HA 0.418 5.058 4.640 -0.000 0.000 0.287 369 D C 0.711 176.784 176.300 -0.379 0.000 1.266 369 D CA -0.954 52.663 54.000 -0.638 0.000 0.830 369 D CB 0.769 41.389 40.800 -0.300 0.000 1.356 369 D HN -0.105 nan 8.370 nan 0.000 0.437 370 L N 0.590 121.709 121.223 -0.173 0.000 1.951 370 L HA -0.144 4.196 4.340 -0.000 0.000 0.222 370 L C 2.015 178.900 176.870 0.024 0.000 1.078 370 L CA 1.950 56.780 54.840 -0.017 0.000 0.778 370 L CB -0.689 41.383 42.059 0.023 0.000 0.893 370 L HN 0.491 nan 8.230 nan 0.000 0.436 371 R N 0.042 120.545 120.500 0.005 0.000 2.120 371 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 371 R C 2.196 178.456 176.300 -0.066 0.000 1.123 371 R CA 1.305 57.417 56.100 0.021 0.000 0.975 371 R CB -1.615 28.689 30.300 0.006 0.000 0.866 371 R HN 0.599 nan 8.270 nan 0.000 0.446 372 A N 1.421 124.179 122.820 -0.103 0.000 1.902 372 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 372 A C 2.389 179.922 177.584 -0.085 0.000 1.181 372 A CA 2.054 54.032 52.037 -0.099 0.000 0.623 372 A CB -0.634 18.344 19.000 -0.037 0.000 0.818 372 A HN 0.468 nan 8.150 nan 0.000 0.443 373 S N 0.392 116.025 115.700 -0.110 0.000 2.370 373 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 373 S C 2.106 176.638 174.600 -0.113 0.000 1.033 373 S CA 1.499 59.635 58.200 -0.108 0.000 1.011 373 S CB -0.793 62.335 63.200 -0.121 0.000 0.852 373 S HN 0.965 nan 8.310 nan 0.000 0.457 374 A N 1.575 124.303 122.820 -0.152 0.000 1.972 374 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 374 A C 2.441 179.916 177.584 -0.181 0.000 1.169 374 A CA 1.803 53.677 52.037 -0.271 0.000 0.635 374 A CB -1.089 17.646 19.000 -0.442 0.000 0.810 374 A HN 0.582 nan 8.150 nan 0.000 0.446 375 S N -0.086 115.541 115.700 -0.122 0.000 2.387 375 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 375 S C 1.778 176.347 174.600 -0.052 0.000 1.026 375 S CA 1.202 59.348 58.200 -0.089 0.000 0.972 375 S CB -0.385 62.760 63.200 -0.092 0.000 0.814 375 S HN 0.525 nan 8.310 nan 0.000 0.477 376 L N 1.124 122.326 121.223 -0.035 0.000 2.093 376 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 376 L C 2.290 179.157 176.870 -0.004 0.000 1.085 376 L CA 0.801 55.636 54.840 -0.008 0.000 0.755 376 L CB -0.731 41.327 42.059 -0.001 0.000 0.904 376 L HN 0.209 nan 8.230 nan 0.000 0.435 377 V N 0.192 120.101 119.914 -0.008 0.000 2.358 377 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 377 V C 2.415 178.496 176.094 -0.022 0.000 1.047 377 V CA 1.508 63.825 62.300 0.027 0.000 1.035 377 V CB -0.333 31.534 31.823 0.073 0.000 0.658 377 V HN 0.348 nan 8.190 nan 0.000 0.452 378 L N 0.075 121.260 121.223 -0.063 0.000 2.083 378 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 378 L C 2.749 179.592 176.870 -0.045 0.000 1.083 378 L CA 1.484 56.282 54.840 -0.069 0.000 0.752 378 L CB -0.846 41.154 42.059 -0.098 0.000 0.899 378 L HN 0.375 nan 8.230 nan 0.000 0.433 379 A N 0.498 123.297 122.820 -0.035 0.000 1.902 379 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 379 A C 2.397 179.970 177.584 -0.018 0.000 1.181 379 A CA 1.765 53.787 52.037 -0.025 0.000 0.623 379 A CB -1.193 17.799 19.000 -0.014 0.000 0.818 379 A HN 0.445 nan 8.150 nan 0.000 0.443 380 G N -1.216 107.578 108.800 -0.010 0.000 2.432 380 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 380 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 380 G C 1.492 176.383 174.900 -0.014 0.000 1.135 380 G CA 1.245 46.342 45.100 -0.005 0.000 0.767 380 G HN 0.526 nan 8.290 nan 0.000 0.550 381 C N 0.676 119.963 119.300 -0.022 0.000 2.435 381 C HA 0.070 4.530 4.460 -0.000 0.000 0.279 381 C C 2.590 177.567 174.990 -0.022 0.000 1.321 381 C CA 0.833 59.836 59.018 -0.025 0.000 1.752 381 C CB -0.795 26.928 27.740 -0.028 0.000 1.959 381 C HN 0.659 nan 8.230 nan 0.000 0.500 382 I N -1.180 119.376 120.570 -0.023 0.000 3.968 382 I HA 0.373 4.543 4.170 -0.000 0.000 0.328 382 I C 1.021 177.126 176.117 -0.020 0.000 1.290 382 I CA -0.109 61.178 61.300 -0.022 0.000 1.163 382 I CB -0.409 37.575 38.000 -0.026 0.000 1.024 382 I HN 0.062 nan 8.210 nan 0.000 0.413 383 A N 1.583 124.391 122.820 -0.019 0.000 2.313 383 A HA 0.338 4.658 4.320 -0.000 0.000 0.261 383 A C -0.151 177.424 177.584 -0.014 0.000 1.090 383 A CA -0.201 51.825 52.037 -0.018 0.000 0.807 383 A CB 0.318 19.309 19.000 -0.016 0.000 1.055 383 A HN 0.382 nan 8.150 nan 0.000 0.492 384 E N -0.003 120.189 120.200 -0.013 0.000 2.180 384 E HA 0.473 4.823 4.350 -0.000 0.000 0.283 384 E C 0.775 177.371 176.600 -0.007 0.000 1.061 384 E CA 1.548 57.942 56.400 -0.010 0.000 0.861 384 E CB 0.097 29.791 29.700 -0.009 0.000 1.056 384 E HN 1.446 nan 8.360 nan 0.000 0.407 385 G N 3.113 111.909 108.800 -0.006 0.000 2.466 385 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 385 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 385 G C -0.548 174.351 174.900 -0.003 0.000 1.237 385 G CA -0.348 44.749 45.100 -0.004 0.000 0.954 385 G HN 0.578 nan 8.290 nan 0.000 0.580 386 T N 1.391 115.945 114.554 0.001 0.000 2.767 386 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 386 T C -0.151 174.555 174.700 0.009 0.000 0.973 386 T CA 0.320 62.422 62.100 0.005 0.000 0.996 386 T CB 1.532 70.404 68.868 0.007 0.000 0.927 386 T HN 0.725 nan 8.240 nan 0.000 0.456 387 T N 2.807 117.369 114.554 0.014 0.000 2.807 387 T HA 0.534 4.884 4.350 -0.000 0.000 0.279 387 T C -0.436 174.286 174.700 0.038 0.000 0.993 387 T CA -0.538 61.574 62.100 0.021 0.000 0.970 387 T CB 1.237 70.115 68.868 0.018 0.000 0.950 387 T HN 0.340 nan 8.240 nan 0.000 0.441 388 V N 3.961 123.900 119.914 0.041 0.000 2.350 388 V HA 0.378 4.497 4.120 -0.000 0.000 0.285 388 V C -0.195 175.932 176.094 0.056 0.000 1.014 388 V CA -0.796 61.538 62.300 0.057 0.000 0.831 388 V CB 1.602 33.452 31.823 0.046 0.000 1.000 388 V HN 0.711 nan 8.190 nan 0.000 0.433 389 V N 4.004 123.965 119.914 0.078 0.000 2.318 389 V HA 0.290 4.410 4.120 -0.000 0.000 0.271 389 V C 0.101 176.204 176.094 0.014 0.000 1.030 389 V CA -0.377 61.950 62.300 0.044 0.000 0.844 389 V CB 1.331 33.185 31.823 0.053 0.000 1.015 389 V HN 0.888 nan 8.190 nan 0.000 0.460 390 D N 4.129 124.536 120.400 0.012 0.000 2.339 390 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 390 D C 0.788 177.084 176.300 -0.005 0.000 1.115 390 D CA -0.137 53.870 54.000 0.013 0.000 0.917 390 D CB 0.484 41.303 40.800 0.031 0.000 1.192 390 D HN 0.512 nan 8.370 nan 0.000 0.428 391 R N 1.732 122.241 120.500 0.015 0.000 3.336 391 R HA -0.185 4.155 4.340 -0.000 0.000 0.260 391 R C 0.849 177.023 176.300 -0.209 0.000 1.032 391 R CA 0.554 56.662 56.100 0.014 0.000 0.693 391 R CB -2.223 28.118 30.300 0.068 0.000 1.134 391 R HN 0.461 nan 8.270 nan 0.000 0.433 392 I N -2.175 118.253 120.570 -0.237 0.000 3.334 392 I HA -0.116 4.054 4.170 -0.000 0.000 0.282 392 I C 1.984 177.890 176.117 -0.352 0.000 1.313 392 I CA 0.567 61.619 61.300 -0.413 0.000 1.396 392 I CB -0.903 36.556 38.000 -0.901 0.000 1.054 392 I HN 0.348 nan 8.210 nan 0.000 0.495 393 Y N -0.271 119.902 120.300 -0.211 0.000 2.333 393 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 393 Y C 2.330 178.147 175.900 -0.139 0.000 1.144 393 Y CA 1.308 59.299 58.100 -0.181 0.000 1.228 393 Y CB -1.513 36.828 38.460 -0.198 0.000 0.985 393 Y HN 0.196 nan 8.280 nan 0.000 0.542 394 H N 0.543 119.142 119.070 -0.785 0.000 2.387 394 H HA -0.161 4.394 4.556 -0.000 0.000 0.299 394 H C 2.261 177.482 175.328 -0.179 0.000 1.099 394 H CA 1.942 57.691 56.048 -0.499 0.000 1.315 394 H CB -0.220 29.236 29.762 -0.509 0.000 1.380 394 H HN 0.520 nan 8.280 nan 0.000 0.513 395 I N 0.929 121.473 120.570 -0.043 0.000 2.676 395 I HA -0.175 3.995 4.170 -0.000 0.000 0.259 395 I C 1.067 177.271 176.117 0.146 0.000 1.194 395 I CA 0.906 62.238 61.300 0.052 0.000 1.473 395 I CB 0.068 38.019 38.000 -0.083 0.000 1.096 395 I HN 0.051 nan 8.210 nan 0.000 0.443 396 D N 0.527 120.971 120.400 0.075 0.000 2.363 396 D HA -0.065 4.575 4.640 -0.000 0.000 0.226 396 D C 1.991 178.354 176.300 0.106 0.000 1.020 396 D CA 0.443 54.508 54.000 0.108 0.000 0.892 396 D CB -0.000 40.850 40.800 0.084 0.000 0.900 396 D HN 0.397 nan 8.370 nan 0.000 0.531 397 R N -0.136 120.425 120.500 0.102 0.000 2.119 397 R HA 0.052 4.392 4.340 -0.000 0.000 0.222 397 R C 1.808 178.137 176.300 0.047 0.000 1.088 397 R CA 1.044 57.192 56.100 0.078 0.000 0.984 397 R CB 0.223 30.572 30.300 0.081 0.000 0.884 397 R HN 0.076 nan 8.270 nan 0.000 0.447 398 G N -1.469 107.357 108.800 0.042 0.000 3.443 398 G HA2 0.114 4.074 3.960 -0.000 0.000 0.252 398 G HA3 0.114 4.074 3.960 -0.000 0.000 0.252 398 G C -0.582 174.146 174.900 -0.287 0.000 1.015 398 G CA -0.207 44.823 45.100 -0.117 0.000 0.891 398 G HN 0.046 nan 8.290 nan 0.000 0.510 399 Y N 0.567 120.898 120.300 0.053 0.000 2.338 399 Y HA 0.443 4.993 4.550 -0.000 0.000 0.333 399 Y C -0.085 175.873 175.900 0.097 0.000 0.968 399 Y CA -1.190 56.958 58.100 0.081 0.000 1.123 399 Y CB 1.890 40.396 38.460 0.076 0.000 1.165 399 Y HN 0.022 nan 8.280 nan 0.000 0.452 400 E N 4.486 124.822 120.200 0.227 0.000 2.180 400 E HA 0.261 4.611 4.350 -0.000 0.000 0.283 400 E C -0.403 176.314 176.600 0.196 0.000 1.061 400 E CA -0.432 56.069 56.400 0.168 0.000 0.861 400 E CB 0.290 30.057 29.700 0.111 0.000 1.056 400 E HN 0.669 nan 8.360 nan 0.000 0.407 401 R N 3.602 124.207 120.500 0.175 0.000 3.127 401 R HA -0.225 4.114 4.340 -0.000 0.000 0.247 401 R C 0.940 177.359 176.300 0.198 0.000 0.896 401 R CA 0.397 56.593 56.100 0.161 0.000 0.624 401 R CB -1.834 28.531 30.300 0.109 0.000 1.154 401 R HN 0.756 nan 8.270 nan 0.000 0.474 402 I N 0.514 121.232 120.570 0.246 0.000 2.353 402 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 402 I C 2.489 178.699 176.117 0.155 0.000 1.119 402 I CA 1.789 63.241 61.300 0.252 0.000 1.417 402 I CB -0.003 38.086 38.000 0.148 0.000 1.078 402 I HN 0.550 nan 8.210 nan 0.000 0.421 403 E N 0.859 121.117 120.200 0.095 0.000 2.058 403 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 403 E C 1.611 178.184 176.600 -0.045 0.000 0.997 403 E CA 2.093 58.429 56.400 -0.107 0.000 0.801 403 E CB -0.108 29.479 29.700 -0.188 0.000 0.746 403 E HN 0.460 nan 8.360 nan 0.000 0.450 404 D N 0.547 120.956 120.400 0.015 0.000 2.097 404 D HA -0.135 4.504 4.640 -0.000 0.000 0.195 404 D C 1.896 178.204 176.300 0.014 0.000 0.989 404 D CA 1.231 55.236 54.000 0.010 0.000 0.827 404 D CB -0.146 40.669 40.800 0.025 0.000 0.966 404 D HN 0.241 nan 8.370 nan 0.000 0.456 405 K N 0.127 120.557 120.400 0.050 0.000 2.147 405 K HA -0.039 4.280 4.320 -0.000 0.000 0.205 405 K C 2.258 178.888 176.600 0.050 0.000 1.049 405 K CA 0.521 56.814 56.287 0.010 0.000 0.936 405 K CB -0.054 32.447 32.500 0.001 0.000 0.722 405 K HN 0.175 nan 8.250 nan 0.000 0.446 406 L N 0.306 121.605 121.223 0.127 0.000 2.131 406 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 406 L C 2.687 179.569 176.870 0.020 0.000 1.087 406 L CA 0.808 55.715 54.840 0.112 0.000 0.767 406 L CB -0.256 41.840 42.059 0.062 0.000 0.917 406 L HN 0.146 nan 8.230 nan 0.000 0.441 407 R N 0.506 120.996 120.500 -0.016 0.000 2.096 407 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 407 R C 2.114 178.400 176.300 -0.024 0.000 1.127 407 R CA 1.294 57.374 56.100 -0.034 0.000 0.968 407 R CB -0.152 30.119 30.300 -0.048 0.000 0.861 407 R HN 0.319 nan 8.270 nan 0.000 0.440 408 A N 0.208 123.015 122.820 -0.022 0.000 2.209 408 A HA 0.006 4.326 4.320 -0.000 0.000 0.212 408 A C 1.655 179.222 177.584 -0.030 0.000 1.158 408 A CA 0.671 52.690 52.037 -0.031 0.000 0.742 408 A CB -0.066 18.908 19.000 -0.045 0.000 0.790 408 A HN 0.339 nan 8.150 nan 0.000 0.472 409 L N -2.010 119.205 121.223 -0.014 0.000 2.693 409 L HA 0.303 4.643 4.340 -0.000 0.000 0.235 409 L C 1.480 178.348 176.870 -0.003 0.000 1.127 409 L CA 0.570 55.408 54.840 -0.004 0.000 0.914 409 L CB 0.350 42.428 42.059 0.031 0.000 1.193 409 L HN 0.506 nan 8.230 nan 0.000 0.502 410 G N 0.046 108.839 108.800 -0.011 0.000 2.184 410 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.206 410 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.206 410 G C 0.346 175.235 174.900 -0.018 0.000 0.995 410 G CA -0.148 44.944 45.100 -0.014 0.000 0.651 410 G HN 0.393 nan 8.290 nan 0.000 0.511 411 A N 0.086 122.893 122.820 -0.020 0.000 2.425 411 A HA 0.591 4.911 4.320 -0.000 0.000 0.249 411 A C 0.520 178.074 177.584 -0.050 0.000 1.084 411 A CA 0.212 52.228 52.037 -0.034 0.000 0.781 411 A CB 0.393 19.369 19.000 -0.040 0.000 1.019 411 A HN 0.515 nan 8.150 nan 0.000 0.490 412 N N 2.377 121.047 118.700 -0.051 0.000 2.801 412 N HA 0.377 5.117 4.740 -0.000 0.000 0.235 412 N C -1.073 174.389 175.510 -0.079 0.000 1.069 412 N CA 0.033 53.050 53.050 -0.054 0.000 0.946 412 N CB -0.230 38.235 38.487 -0.037 0.000 1.212 412 N HN 0.560 nan 8.380 nan 0.000 0.509 413 I N 0.691 121.189 120.570 -0.120 0.000 2.740 413 I HA 0.412 4.582 4.170 -0.000 0.000 0.303 413 I C -0.153 175.847 176.117 -0.195 0.000 1.044 413 I CA -0.806 60.374 61.300 -0.199 0.000 1.064 413 I CB 2.359 40.150 38.000 -0.348 0.000 1.249 413 I HN 0.283 nan 8.210 nan 0.000 0.433 414 E N 4.534 124.616 120.200 -0.196 0.000 2.307 414 E HA 0.252 4.602 4.350 -0.000 0.000 0.280 414 E C -1.223 175.368 176.600 -0.014 0.000 0.900 414 E CA -0.811 55.528 56.400 -0.101 0.000 0.790 414 E CB 1.904 31.583 29.700 -0.035 0.000 1.261 414 E HN 0.489 nan 8.360 nan 0.000 0.405 415 R N 4.264 124.796 120.500 0.053 0.000 2.220 415 R HA 0.276 4.616 4.340 -0.000 0.000 0.340 415 R C -0.322 176.077 176.300 0.165 0.000 1.076 415 R CA -0.260 56.006 56.100 0.276 0.000 0.920 415 R CB 0.374 30.883 30.300 0.348 0.000 1.062 415 R HN 0.356 nan 8.270 nan 0.000 0.469 416 V N 1.662 121.671 119.914 0.159 0.000 2.881 416 V HA 0.533 4.653 4.120 -0.000 0.000 0.316 416 V C 0.041 176.183 176.094 0.080 0.000 1.070 416 V CA -0.924 61.433 62.300 0.095 0.000 0.976 416 V CB 2.077 33.945 31.823 0.075 0.000 1.038 416 V HN 0.606 nan 8.190 nan 0.000 0.446 417 K N 2.041 122.474 120.400 0.056 0.000 3.590 417 K HA 0.450 4.770 4.320 -0.000 0.000 0.170 417 K C 1.522 178.143 176.600 0.035 0.000 1.138 417 K CA 0.556 56.868 56.287 0.042 0.000 1.560 417 K CB -1.001 31.518 32.500 0.032 0.000 2.149 417 K HN 1.814 nan 8.250 nan 0.000 0.487 418 G N 2.915 111.731 108.800 0.027 0.000 2.187 418 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.261 418 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.261 418 G C 0.044 174.956 174.900 0.021 0.000 1.000 418 G CA 1.456 46.570 45.100 0.023 0.000 0.718 418 G HN 0.618 nan 8.290 nan 0.000 0.519 419 E N 0.000 120.211 120.200 0.019 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.409 56.400 0.015 0.000 0.976 419 E CB 0.000 29.704 29.700 0.007 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440