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 1ybg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR 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 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 D N 4.596 124.971 120.400 -0.042 0.000 2.400 2 D HA 0.560 5.200 4.640 0.000 0.000 0.238 2 D C -0.397 175.824 176.300 -0.131 0.000 1.157 2 D CA 0.723 54.667 54.000 -0.093 0.000 0.889 2 D CB 0.703 41.425 40.800 -0.131 0.000 1.199 2 D HN 0.620 nan 8.370 nan 0.000 0.436 3 K N -0.151 120.137 120.400 -0.186 0.000 2.579 3 K HA 0.452 4.772 4.320 0.000 0.000 0.284 3 K C -1.386 175.105 176.600 -0.183 0.000 0.990 3 K CA -0.880 55.294 56.287 -0.189 0.000 0.880 3 K CB 1.024 33.494 32.500 -0.050 0.000 1.488 3 K HN 0.215 nan 8.250 nan 0.000 0.425 4 F N 1.042 120.996 119.950 0.008 0.000 2.415 4 F HA 0.414 4.941 4.527 0.000 0.000 0.348 4 F C 0.469 176.269 175.800 0.001 0.000 1.119 4 F CA -0.964 57.036 58.000 0.001 0.000 1.069 4 F CB 1.974 40.968 39.000 -0.011 0.000 1.124 4 F HN 0.340 nan 8.300 nan 0.000 0.472 5 R N 3.655 124.297 120.500 0.237 0.000 2.229 5 R HA 0.622 4.962 4.340 0.000 0.000 0.332 5 R C -1.720 174.627 176.300 0.078 0.000 0.989 5 R CA -0.403 55.768 56.100 0.119 0.000 0.842 5 R CB 1.080 31.433 30.300 0.088 0.000 1.119 5 R HN 0.518 nan 8.270 nan 0.000 0.456 6 V N 4.461 124.402 119.914 0.045 0.000 2.555 6 V HA 0.340 4.460 4.120 0.000 0.000 0.302 6 V C -0.525 175.570 176.094 0.001 0.000 1.038 6 V CA -0.940 61.361 62.300 0.002 0.000 0.887 6 V CB 1.916 33.726 31.823 -0.022 0.000 0.991 6 V HN 0.702 nan 8.190 nan 0.000 0.434 7 Q N 2.760 122.555 119.800 -0.008 0.000 2.333 7 Q HA 0.628 4.968 4.340 0.000 0.000 0.265 7 Q C 0.068 176.062 176.000 -0.011 0.000 0.989 7 Q CA -0.160 55.640 55.803 -0.005 0.000 0.842 7 Q CB 2.425 31.161 28.738 -0.003 0.000 1.262 7 Q HN 0.960 nan 8.270 nan 0.000 0.451 8 G N 2.770 111.564 108.800 -0.009 0.000 2.600 8 G HA2 0.751 4.711 3.960 0.000 0.000 0.303 8 G HA3 0.751 4.711 3.960 0.000 0.000 0.303 8 G C -2.770 172.125 174.900 -0.009 0.000 1.253 8 G CA -1.301 43.791 45.100 -0.012 0.000 0.974 8 G HN 0.308 nan 8.290 nan 0.000 0.483 9 P HA 0.413 nan 4.420 nan 0.000 0.287 9 P C -0.776 176.517 177.300 -0.012 0.000 1.270 9 P CA -0.238 62.854 63.100 -0.012 0.000 0.844 9 P CB 1.878 33.572 31.700 -0.011 0.000 1.068 10 T N -0.933 113.612 114.554 -0.015 0.000 2.916 10 T HA 0.459 4.809 4.350 0.000 0.000 0.298 10 T C -0.337 174.355 174.700 -0.014 0.000 1.031 10 T CA -1.026 61.066 62.100 -0.015 0.000 0.993 10 T CB 1.658 70.516 68.868 -0.018 0.000 1.045 10 T HN 0.465 nan 8.240 nan 0.000 0.454 11 R N 2.773 123.266 120.500 -0.011 0.000 2.340 11 R HA 0.526 4.866 4.340 0.000 0.000 0.300 11 R C -0.798 175.496 176.300 -0.009 0.000 1.069 11 R CA -0.702 55.392 56.100 -0.010 0.000 0.984 11 R CB 0.270 30.566 30.300 -0.008 0.000 1.003 11 R HN 0.706 nan 8.270 nan 0.000 0.459 12 L N 6.197 127.417 121.223 -0.006 0.000 2.257 12 L HA 0.311 4.651 4.340 0.000 0.000 0.290 12 L C -0.075 176.797 176.870 0.003 0.000 1.044 12 L CA -0.254 54.587 54.840 0.003 0.000 0.810 12 L CB 1.043 43.114 42.059 0.020 0.000 1.193 12 L HN 0.753 nan 8.230 nan 0.000 0.425 13 Q N 2.856 122.653 119.800 -0.006 0.000 2.534 13 Q HA 0.853 5.193 4.340 0.000 0.000 0.290 13 Q C -0.294 175.691 176.000 -0.025 0.000 0.991 13 Q CA -0.434 55.360 55.803 -0.014 0.000 0.783 13 Q CB 3.003 31.730 28.738 -0.018 0.000 1.470 13 Q HN 0.629 nan 8.270 nan 0.000 0.406 14 G N 0.805 109.586 108.800 -0.032 0.000 2.317 14 G HA2 -0.029 3.931 3.960 0.000 0.000 0.196 14 G HA3 -0.029 3.931 3.960 0.000 0.000 0.196 14 G C -1.452 173.415 174.900 -0.055 0.000 1.255 14 G CA -0.307 44.766 45.100 -0.045 0.000 1.243 14 G HN 0.683 nan 8.290 nan 0.000 0.535 15 E N -1.177 118.979 120.200 -0.074 0.000 2.343 15 E HA 0.634 4.984 4.350 0.000 0.000 0.270 15 E C -1.390 175.126 176.600 -0.140 0.000 0.895 15 E CA -0.786 55.561 56.400 -0.088 0.000 0.767 15 E CB 3.096 32.749 29.700 -0.079 0.000 1.248 15 E HN 0.950 nan 8.360 nan 0.000 0.440 16 V N 0.890 120.702 119.914 -0.170 0.000 2.888 16 V HA 0.434 4.554 4.120 0.000 0.000 0.309 16 V C -1.324 174.663 176.094 -0.178 0.000 1.114 16 V CA -0.252 61.879 62.300 -0.282 0.000 0.940 16 V CB 2.446 33.894 31.823 -0.626 0.000 1.021 16 V HN 0.711 nan 8.190 nan 0.000 0.426 17 T N 7.456 121.918 114.554 -0.153 0.000 2.758 17 T HA 0.534 4.884 4.350 0.000 0.000 0.285 17 T C -0.236 174.432 174.700 -0.053 0.000 0.981 17 T CA -0.253 61.805 62.100 -0.070 0.000 0.965 17 T CB 0.674 69.516 68.868 -0.043 0.000 0.927 17 T HN 0.471 nan 8.240 nan 0.000 0.448 18 I N 3.498 124.064 120.570 -0.006 0.000 2.471 18 I HA 0.174 4.344 4.170 0.000 0.000 0.286 18 I C 1.144 177.283 176.117 0.036 0.000 1.079 18 I CA -0.018 61.305 61.300 0.040 0.000 1.398 18 I CB 0.385 38.421 38.000 0.061 0.000 1.403 18 I HN 0.577 nan 8.210 nan 0.000 0.530 19 S N 4.337 120.067 115.700 0.051 0.000 2.634 19 S HA 0.475 4.945 4.470 0.000 0.000 0.261 19 S C 0.673 175.286 174.600 0.021 0.000 1.271 19 S CA -0.603 57.618 58.200 0.036 0.000 0.985 19 S CB 1.068 64.296 63.200 0.047 0.000 0.968 19 S HN 0.828 nan 8.310 nan 0.000 0.568 20 G N -0.172 108.636 108.800 0.013 0.000 2.527 20 G HA2 0.483 4.443 3.960 0.000 0.000 0.248 20 G HA3 0.483 4.443 3.960 0.000 0.000 0.248 20 G C -0.279 174.617 174.900 -0.007 0.000 1.231 20 G CA -0.523 44.580 45.100 0.004 0.000 0.838 20 G HN 0.877 nan 8.290 nan 0.000 0.570 21 A N 1.274 124.085 122.820 -0.014 0.000 2.396 21 A HA 0.344 4.664 4.320 0.000 0.000 0.279 21 A C 1.520 179.093 177.584 -0.018 0.000 1.165 21 A CA -0.135 51.884 52.037 -0.029 0.000 0.824 21 A CB 0.362 19.341 19.000 -0.034 0.000 1.100 21 A HN 0.885 nan 8.150 nan 0.000 0.516 22 K N 2.443 122.834 120.400 -0.016 0.000 2.280 22 K HA -0.147 4.173 4.320 0.000 0.000 0.202 22 K C 0.354 176.976 176.600 0.037 0.000 1.047 22 K CA 1.689 57.983 56.287 0.012 0.000 0.942 22 K CB -0.090 32.421 32.500 0.019 0.000 0.739 22 K HN 0.598 nan 8.250 nan 0.000 0.457 23 N N 0.832 119.544 118.700 0.021 0.000 2.459 23 N HA -0.058 4.683 4.740 0.000 0.000 0.181 23 N C 1.280 176.805 175.510 0.026 0.000 1.046 23 N CA 1.199 54.280 53.050 0.052 0.000 0.904 23 N CB 0.238 38.740 38.487 0.025 0.000 0.964 23 N HN 0.453 nan 8.380 nan 0.000 0.444 24 A N -0.254 122.557 122.820 -0.014 0.000 2.108 24 A HA 0.484 4.804 4.320 0.000 0.000 0.206 24 A C 2.133 179.664 177.584 -0.088 0.000 1.212 24 A CA 0.664 52.666 52.037 -0.059 0.000 0.843 24 A CB -0.204 18.772 19.000 -0.039 0.000 0.902 24 A HN 0.179 nan 8.150 nan 0.000 0.477 25 A N 0.510 123.300 122.820 -0.050 0.000 1.877 25 A HA -0.030 4.290 4.320 0.000 0.000 0.216 25 A C 2.088 179.632 177.584 -0.067 0.000 1.186 25 A CA 1.471 53.462 52.037 -0.076 0.000 0.620 25 A CB -0.685 18.293 19.000 -0.038 0.000 0.822 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N 0.061 121.312 121.223 0.046 0.000 1.970 26 L HA -0.148 4.192 4.340 0.000 0.000 0.212 26 L C -0.133 176.838 176.870 0.168 0.000 1.071 26 L CA 2.070 57.034 54.840 0.207 0.000 0.751 26 L CB -1.522 40.793 42.059 0.426 0.000 0.889 26 L HN 0.309 nan 8.230 nan 0.000 0.432 27 P HA -0.195 nan 4.420 nan 0.000 0.218 27 P C 1.819 178.938 177.300 -0.302 0.000 1.148 27 P CA 1.728 64.464 63.100 -0.606 0.000 0.822 27 P CB 0.012 31.127 31.700 -0.976 0.000 0.784 28 I N -0.638 119.741 120.570 -0.319 0.000 2.202 28 I HA -0.209 3.961 4.170 0.000 0.000 0.242 28 I C 2.739 178.573 176.117 -0.472 0.000 1.091 28 I CA 1.082 62.061 61.300 -0.535 0.000 1.368 28 I CB -0.630 36.904 38.000 -0.778 0.000 1.058 28 I HN -0.150 nan 8.210 nan 0.000 0.410 29 L N -0.213 120.816 121.223 -0.324 0.000 2.013 29 L HA -0.270 4.070 4.340 0.000 0.000 0.212 29 L C 2.552 179.281 176.870 -0.236 0.000 1.073 29 L CA 1.806 56.468 54.840 -0.295 0.000 0.753 29 L CB -0.641 41.231 42.059 -0.311 0.000 0.890 29 L HN 0.158 nan 8.230 nan 0.000 0.432 30 F N -0.462 119.469 119.950 -0.032 0.000 2.234 30 F HA -0.159 4.368 4.527 0.000 0.000 0.299 30 F C 2.551 178.375 175.800 0.041 0.000 1.087 30 F CA 0.940 58.966 58.000 0.044 0.000 1.340 30 F CB -0.519 38.561 39.000 0.135 0.000 1.031 30 F HN 0.028 nan 8.300 nan 0.000 0.500 31 A N 0.163 123.077 122.820 0.157 0.000 1.933 31 A HA -0.089 4.231 4.320 0.000 0.000 0.218 31 A C 2.372 180.105 177.584 0.249 0.000 1.175 31 A CA 1.434 53.584 52.037 0.188 0.000 0.628 31 A CB -1.224 17.916 19.000 0.232 0.000 0.814 31 A HN 0.290 nan 8.150 nan 0.000 0.444 32 A N -0.226 122.739 122.820 0.241 0.000 2.139 32 A HA -0.091 4.229 4.320 0.000 0.000 0.221 32 A C 1.985 179.637 177.584 0.114 0.000 1.159 32 A CA 1.409 53.577 52.037 0.219 0.000 0.662 32 A CB -0.669 18.388 19.000 0.094 0.000 0.796 32 A HN 0.521 nan 8.150 nan 0.000 0.463 33 L N -0.980 120.321 121.223 0.130 0.000 2.265 33 L HA -0.155 4.185 4.340 0.000 0.000 0.215 33 L C 2.121 179.098 176.870 0.179 0.000 1.117 33 L CA 0.763 55.705 54.840 0.170 0.000 0.782 33 L CB -0.378 41.823 42.059 0.237 0.000 0.914 33 L HN 0.420 nan 8.230 nan 0.000 0.441 34 L N -0.442 120.849 121.223 0.113 0.000 2.395 34 L HA 0.065 4.405 4.340 0.000 0.000 0.218 34 L C 1.381 178.238 176.870 -0.023 0.000 1.130 34 L CA -0.364 54.494 54.840 0.030 0.000 0.826 34 L CB -0.451 41.608 42.059 0.001 0.000 0.941 34 L HN 0.126 nan 8.230 nan 0.000 0.451 35 A N 0.266 123.083 122.820 -0.006 0.000 2.450 35 A HA 0.067 4.387 4.320 0.000 0.000 0.255 35 A C 1.037 178.600 177.584 -0.036 0.000 1.096 35 A CA -0.146 51.864 52.037 -0.045 0.000 0.778 35 A CB 0.320 19.296 19.000 -0.039 0.000 1.031 35 A HN 0.292 nan 8.150 nan 0.000 0.494 36 E N 1.012 121.181 120.200 -0.051 0.000 2.400 36 E HA 0.004 4.354 4.350 0.000 0.000 0.195 36 E C 0.036 176.620 176.600 -0.027 0.000 1.012 36 E CA 0.547 56.925 56.400 -0.036 0.000 0.875 36 E CB 0.297 29.967 29.700 -0.049 0.000 0.859 36 E HN 0.864 nan 8.360 nan 0.000 0.498 37 E N 0.052 120.229 120.200 -0.038 0.000 2.281 37 E HA 0.300 4.650 4.350 0.000 0.000 0.262 37 E C -2.626 173.933 176.600 -0.068 0.000 0.933 37 E CA -2.438 53.944 56.400 -0.030 0.000 0.809 37 E CB 1.533 31.227 29.700 -0.010 0.000 1.242 37 E HN -0.157 nan 8.360 nan 0.000 0.418 38 P HA -0.030 nan 4.420 nan 0.000 0.265 38 P C -1.167 176.054 177.300 -0.132 0.000 1.187 38 P CA 0.218 63.198 63.100 -0.199 0.000 0.766 38 P CB 0.459 32.149 31.700 -0.017 0.000 0.820 39 V N 2.789 122.559 119.914 -0.239 0.000 2.656 39 V HA 0.313 4.433 4.120 0.000 0.000 0.307 39 V C -0.007 176.075 176.094 -0.021 0.000 1.051 39 V CA -0.508 61.761 62.300 -0.051 0.000 0.893 39 V CB 1.920 33.772 31.823 0.048 0.000 0.999 39 V HN 0.477 nan 8.190 nan 0.000 0.426 40 E N 4.397 124.672 120.200 0.125 0.000 2.129 40 E HA 0.510 4.860 4.350 0.000 0.000 0.268 40 E C -1.313 175.380 176.600 0.155 0.000 0.900 40 E CA -0.515 55.990 56.400 0.175 0.000 0.755 40 E CB 1.247 31.071 29.700 0.207 0.000 1.117 40 E HN 0.631 nan 8.360 nan 0.000 0.410 41 I N 5.013 125.646 120.570 0.106 0.000 2.307 41 I HA 0.147 4.317 4.170 0.000 0.000 0.289 41 I C 0.225 176.379 176.117 0.062 0.000 1.021 41 I CA -0.469 60.874 61.300 0.071 0.000 1.224 41 I CB 1.230 39.198 38.000 -0.053 0.000 1.376 41 I HN 0.381 nan 8.210 nan 0.000 0.470 42 Q N 4.264 124.107 119.800 0.071 0.000 2.212 42 Q HA 0.312 4.652 4.340 0.000 0.000 0.238 42 Q C 0.288 176.304 176.000 0.026 0.000 0.955 42 Q CA -0.774 55.055 55.803 0.044 0.000 0.906 42 Q CB 0.755 29.512 28.738 0.032 0.000 1.215 42 Q HN 0.555 nan 8.270 nan 0.000 0.478 43 N N -0.583 118.128 118.700 0.018 0.000 2.783 43 N HA -0.154 4.586 4.740 0.000 0.000 0.247 43 N C -1.854 173.662 175.510 0.010 0.000 1.089 43 N CA 0.259 53.316 53.050 0.012 0.000 0.690 43 N CB -0.964 37.525 38.487 0.004 0.000 0.991 43 N HN 0.346 nan 8.380 nan 0.000 0.552 44 V N 1.835 121.755 119.914 0.010 0.000 2.383 44 V HA 0.488 4.608 4.120 0.000 0.000 0.275 44 V C -1.431 174.670 176.094 0.012 0.000 1.036 44 V CA -1.168 61.134 62.300 0.003 0.000 0.889 44 V CB 1.465 33.285 31.823 -0.005 0.000 0.985 44 V HN 0.186 nan 8.190 nan 0.000 0.459 45 P HA 0.194 nan 4.420 nan 0.000 0.272 45 P C -0.804 176.512 177.300 0.027 0.000 1.230 45 P CA -0.520 62.594 63.100 0.024 0.000 0.788 45 P CB 0.971 32.685 31.700 0.024 0.000 0.949 46 K N 2.060 122.482 120.400 0.036 0.000 2.229 46 K HA 0.396 4.716 4.320 0.000 0.000 0.247 46 K C -0.209 176.418 176.600 0.045 0.000 1.117 46 K CA -0.196 56.112 56.287 0.036 0.000 1.036 46 K CB -0.150 32.371 32.500 0.036 0.000 1.654 46 K HN 0.401 nan 8.250 nan 0.000 0.405 47 L N 0.903 122.151 121.223 0.043 0.000 2.301 47 L HA 0.345 4.685 4.340 0.000 0.000 0.264 47 L C 1.582 178.479 176.870 0.045 0.000 1.016 47 L CA -0.921 53.950 54.840 0.052 0.000 0.821 47 L CB 1.458 43.550 42.059 0.055 0.000 1.346 47 L HN 0.326 nan 8.230 nan 0.000 0.429 48 K N 0.545 120.976 120.400 0.051 0.000 2.032 48 K HA -0.240 4.080 4.320 0.000 0.000 0.218 48 K C 1.078 177.702 176.600 0.039 0.000 1.054 48 K CA 2.447 58.759 56.287 0.041 0.000 0.941 48 K CB 0.019 32.547 32.500 0.047 0.000 0.720 48 K HN 0.673 nan 8.250 nan 0.000 0.449 49 D N 0.441 120.872 120.400 0.052 0.000 2.263 49 D HA -0.136 4.504 4.640 0.000 0.000 0.208 49 D C 1.845 178.180 176.300 0.059 0.000 0.971 49 D CA 0.720 54.758 54.000 0.063 0.000 0.867 49 D CB 0.021 40.871 40.800 0.084 0.000 0.929 49 D HN 0.270 nan 8.370 nan 0.000 0.492 50 I N 1.371 121.965 120.570 0.040 0.000 2.333 50 I HA -0.157 4.013 4.170 0.000 0.000 0.246 50 I C 1.816 177.934 176.117 0.001 0.000 1.106 50 I CA 0.950 62.260 61.300 0.016 0.000 1.411 50 I CB -0.773 37.234 38.000 0.012 0.000 1.082 50 I HN -0.078 nan 8.210 nan 0.000 0.420 51 D N 0.741 121.147 120.400 0.010 0.000 2.104 51 D HA -0.158 4.482 4.640 0.000 0.000 0.194 51 D C 2.104 178.404 176.300 -0.000 0.000 0.994 51 D CA 1.818 55.820 54.000 0.004 0.000 0.830 51 D CB -0.340 40.465 40.800 0.008 0.000 0.959 51 D HN 0.251 nan 8.370 nan 0.000 0.452 52 T N 0.615 115.176 114.554 0.011 0.000 2.684 52 T HA -0.135 4.215 4.350 0.000 0.000 0.267 52 T C 2.052 176.763 174.700 0.017 0.000 1.036 52 T CA 1.834 63.943 62.100 0.015 0.000 1.148 52 T CB -0.557 68.327 68.868 0.027 0.000 0.863 52 T HN 0.159 nan 8.240 nan 0.000 0.436 53 T N 2.231 116.792 114.554 0.011 0.000 2.720 53 T HA -0.031 4.319 4.350 0.000 0.000 0.268 53 T C 2.052 176.672 174.700 -0.134 0.000 1.037 53 T CA 1.189 63.244 62.100 -0.075 0.000 1.144 53 T CB -0.360 68.403 68.868 -0.175 0.000 0.864 53 T HN 0.351 nan 8.240 nan 0.000 0.444 54 M N 0.469 120.017 119.600 -0.088 0.000 2.159 54 M HA -0.071 4.409 4.480 0.000 0.000 0.263 54 M C 2.355 178.627 176.300 -0.046 0.000 1.063 54 M CA 1.543 56.800 55.300 -0.072 0.000 1.110 54 M CB -0.350 32.228 32.600 -0.035 0.000 1.374 54 M HN 0.143 nan 8.290 nan 0.000 0.411 55 K N 0.573 120.956 120.400 -0.028 0.000 2.025 55 K HA -0.119 4.201 4.320 0.000 0.000 0.207 55 K C 1.993 178.582 176.600 -0.018 0.000 1.049 55 K CA 1.161 57.437 56.287 -0.018 0.000 0.933 55 K CB -0.349 32.144 32.500 -0.012 0.000 0.714 55 K HN 0.303 nan 8.250 nan 0.000 0.438 56 L N 1.436 122.654 121.223 -0.008 0.000 1.989 56 L HA -0.229 4.111 4.340 0.000 0.000 0.211 56 L C 2.191 179.058 176.870 -0.004 0.000 1.071 56 L CA 1.324 56.174 54.840 0.016 0.000 0.749 56 L CB -0.221 41.891 42.059 0.089 0.000 0.890 56 L HN 0.198 nan 8.230 nan 0.000 0.431 57 L N -0.806 120.389 121.223 -0.046 0.000 2.042 57 L HA -0.258 4.082 4.340 0.000 0.000 0.210 57 L C 2.510 179.350 176.870 -0.050 0.000 1.076 57 L CA 1.928 56.732 54.840 -0.061 0.000 0.749 57 L CB -1.056 40.930 42.059 -0.122 0.000 0.893 57 L HN 0.321 nan 8.230 nan 0.000 0.432 58 T N -1.047 113.482 114.554 -0.042 0.000 2.720 58 T HA -0.218 4.132 4.350 0.000 0.000 0.268 58 T C 1.809 176.482 174.700 -0.044 0.000 1.037 58 T CA 1.126 63.206 62.100 -0.032 0.000 1.144 58 T CB -0.182 68.676 68.868 -0.017 0.000 0.864 58 T HN 0.354 nan 8.240 nan 0.000 0.444 59 Q N 0.380 120.153 119.800 -0.044 0.000 2.437 59 Q HA 0.094 4.434 4.340 0.000 0.000 0.210 59 Q C 1.925 177.870 176.000 -0.091 0.000 0.972 59 Q CA 0.705 56.474 55.803 -0.056 0.000 0.903 59 Q CB -0.209 28.505 28.738 -0.041 0.000 0.967 59 Q HN 0.538 nan 8.270 nan 0.000 0.486 60 L N -1.560 119.604 121.223 -0.098 0.000 2.585 60 L HA 0.208 4.548 4.340 0.000 0.000 0.226 60 L C 1.109 177.853 176.870 -0.209 0.000 1.113 60 L CA 0.496 55.238 54.840 -0.164 0.000 0.876 60 L CB 0.301 42.295 42.059 -0.109 0.000 1.072 60 L HN 0.277 nan 8.230 nan 0.000 0.468 61 G N 0.488 109.206 108.800 -0.136 0.000 2.148 61 G HA2 -0.243 3.717 3.960 0.000 0.000 0.203 61 G HA3 -0.243 3.717 3.960 0.000 0.000 0.203 61 G C 0.352 175.209 174.900 -0.071 0.000 0.993 61 G CA 0.214 45.243 45.100 -0.118 0.000 0.661 61 G HN 0.287 nan 8.290 nan 0.000 0.518 62 T N -0.074 114.443 114.554 -0.061 0.000 2.909 62 T HA 0.604 4.954 4.350 0.000 0.000 0.286 62 T C 0.323 175.010 174.700 -0.022 0.000 1.002 62 T CA -0.159 61.913 62.100 -0.046 0.000 1.074 62 T CB 0.829 69.664 68.868 -0.055 0.000 0.984 62 T HN 0.289 nan 8.240 nan 0.000 0.495 63 K N 2.967 123.362 120.400 -0.009 0.000 2.258 63 K HA 0.594 4.914 4.320 0.000 0.000 0.284 63 K C -0.926 175.731 176.600 0.096 0.000 1.051 63 K CA -0.722 55.624 56.287 0.099 0.000 0.923 63 K CB 1.440 34.083 32.500 0.239 0.000 1.046 63 K HN 0.417 nan 8.250 nan 0.000 0.474 64 V N 2.462 122.470 119.914 0.156 0.000 2.789 64 V HA 0.477 4.597 4.120 0.000 0.000 0.311 64 V C -0.515 175.713 176.094 0.224 0.000 1.073 64 V CA -0.925 61.471 62.300 0.159 0.000 0.921 64 V CB 2.035 33.882 31.823 0.040 0.000 1.009 64 V HN 0.695 nan 8.190 nan 0.000 0.426 65 E N 2.487 122.849 120.200 0.270 0.000 2.390 65 E HA 0.645 4.995 4.350 0.000 0.000 0.280 65 E C -1.080 175.609 176.600 0.148 0.000 0.992 65 E CA -0.766 55.739 56.400 0.175 0.000 0.790 65 E CB 3.553 33.333 29.700 0.133 0.000 1.248 65 E HN 0.903 nan 8.360 nan 0.000 0.447 66 R N -0.364 120.183 120.500 0.078 0.000 2.810 66 R HA 0.494 4.834 4.340 0.000 0.000 0.266 66 R C -0.257 176.064 176.300 0.034 0.000 1.061 66 R CA -0.540 55.598 56.100 0.063 0.000 0.943 66 R CB 0.543 30.871 30.300 0.048 0.000 1.237 66 R HN 0.369 nan 8.270 nan 0.000 0.459 67 D N 0.184 120.602 120.400 0.030 0.000 2.256 67 D HA 0.100 4.740 4.640 0.000 0.000 0.279 67 D C 1.332 177.641 176.300 0.015 0.000 1.209 67 D CA 0.820 54.831 54.000 0.018 0.000 0.946 67 D CB -0.954 39.856 40.800 0.017 0.000 0.914 67 D HN 0.624 nan 8.370 nan 0.000 0.278 68 G N -1.153 107.660 108.800 0.021 0.000 2.838 68 G HA2 0.244 4.204 3.960 0.000 0.000 0.210 68 G HA3 0.244 4.204 3.960 0.000 0.000 0.210 68 G C 0.375 175.292 174.900 0.028 0.000 1.153 68 G CA 0.598 45.711 45.100 0.022 0.000 0.778 68 G HN 0.620 nan 8.290 nan 0.000 0.539 69 S N -1.117 114.606 115.700 0.038 0.000 2.671 69 S HA 0.742 5.212 4.470 0.000 0.000 0.299 69 S C -1.150 173.491 174.600 0.068 0.000 1.116 69 S CA -0.760 57.471 58.200 0.052 0.000 0.912 69 S CB 2.543 65.784 63.200 0.069 0.000 1.130 69 S HN 0.012 nan 8.310 nan 0.000 0.501 70 V N 1.339 121.297 119.914 0.072 0.000 2.459 70 V HA 0.490 4.610 4.120 0.000 0.000 0.295 70 V C -1.114 175.073 176.094 0.156 0.000 1.029 70 V CA -0.584 61.768 62.300 0.087 0.000 0.874 70 V CB 1.392 33.226 31.823 0.018 0.000 0.985 70 V HN 0.947 nan 8.190 nan 0.000 0.438 71 W N 6.551 127.848 121.300 -0.004 0.000 2.433 71 W HA 0.720 5.380 4.660 0.000 0.000 0.315 71 W C -1.009 175.513 176.519 0.005 0.000 1.087 71 W CA -0.653 56.697 57.345 0.009 0.000 1.205 71 W CB 0.977 30.443 29.460 0.010 0.000 1.288 71 W HN 0.277 nan 8.180 nan 0.000 0.504 72 I N 6.214 126.458 120.570 -0.544 0.000 2.466 72 I HA 0.128 4.298 4.170 0.000 0.000 0.289 72 I C -1.037 174.543 176.117 -0.895 0.000 1.026 72 I CA -0.633 60.341 61.300 -0.543 0.000 1.078 72 I CB 1.767 39.611 38.000 -0.259 0.000 1.249 72 I HN 0.343 nan 8.210 nan 0.000 0.429 73 D N 5.483 125.397 120.400 -0.811 0.000 2.446 73 D HA 0.509 5.149 4.640 0.000 0.000 0.251 73 D C 0.292 176.446 176.300 -0.243 0.000 1.137 73 D CA -0.268 53.356 54.000 -0.626 0.000 0.890 73 D CB 1.625 42.015 40.800 -0.683 0.000 1.071 73 D HN 0.604 nan 8.370 nan 0.000 0.528 74 A N 2.404 125.140 122.820 -0.140 0.000 2.379 74 A HA 0.082 4.402 4.320 0.000 0.000 0.236 74 A C 1.852 179.484 177.584 0.079 0.000 1.272 74 A CA 0.449 52.483 52.037 -0.004 0.000 0.886 74 A CB -0.241 18.790 19.000 0.052 0.000 0.962 74 A HN 0.476 nan 8.150 nan 0.000 0.504 75 S N 0.224 115.941 115.700 0.029 0.000 2.440 75 S HA -0.107 4.363 4.470 0.000 0.000 0.238 75 S C 0.995 175.665 174.600 0.117 0.000 1.010 75 S CA 1.430 59.671 58.200 0.068 0.000 0.972 75 S CB -0.295 62.928 63.200 0.037 0.000 0.774 75 S HN 0.519 nan 8.310 nan 0.000 0.501 76 N N 0.988 119.743 118.700 0.092 0.000 2.351 76 N HA 0.268 5.008 4.740 0.000 0.000 0.254 76 N C -0.930 174.599 175.510 0.031 0.000 1.241 76 N CA -0.063 53.036 53.050 0.082 0.000 0.883 76 N CB 1.369 39.885 38.487 0.048 0.000 1.202 76 N HN 0.178 nan 8.380 nan 0.000 0.512 77 V N 2.849 122.785 119.914 0.037 0.000 2.557 77 V HA -0.102 4.018 4.120 0.000 0.000 0.301 77 V C 1.048 176.957 176.094 -0.309 0.000 1.026 77 V CA 0.734 62.932 62.300 -0.170 0.000 1.137 77 V CB 0.380 32.055 31.823 -0.248 0.000 0.917 77 V HN 0.523 nan 8.190 nan 0.000 0.484 78 N N 2.070 120.495 118.700 -0.458 0.000 2.082 78 N HA 0.088 4.828 4.740 0.000 0.000 0.228 78 N C -0.204 174.711 175.510 -0.992 0.000 1.341 78 N CA -0.380 52.330 53.050 -0.566 0.000 0.873 78 N CB 0.140 38.486 38.487 -0.234 0.000 1.137 78 N HN 0.588 nan 8.380 nan 0.000 0.505 79 N N 0.291 118.381 118.700 -1.018 0.000 2.399 79 N HA 0.309 5.049 4.740 0.000 0.000 0.280 79 N C -1.532 173.440 175.510 -0.896 0.000 1.008 79 N CA -0.747 51.799 53.050 -0.839 0.000 0.894 79 N CB 0.638 38.888 38.487 -0.395 0.000 1.273 79 N HN 0.035 nan 8.380 nan 0.000 0.486 80 F N 0.994 120.866 119.950 -0.131 0.000 2.837 80 F HA 0.389 4.916 4.527 0.000 0.000 0.298 80 F C 0.818 176.576 175.800 -0.069 0.000 1.161 80 F CA -0.554 57.377 58.000 -0.115 0.000 1.353 80 F CB 0.132 39.071 39.000 -0.102 0.000 0.951 80 F HN 0.313 nan 8.300 nan 0.000 0.508 81 S N 1.189 116.882 115.700 -0.011 0.000 2.707 81 S HA 0.760 5.230 4.470 0.000 0.000 0.312 81 S C -0.184 174.395 174.600 -0.035 0.000 1.116 81 S CA -0.600 57.585 58.200 -0.025 0.000 1.078 81 S CB 0.485 63.645 63.200 -0.066 0.000 0.997 81 S HN 0.254 nan 8.310 nan 0.000 0.477 82 A N 6.951 129.764 122.820 -0.011 0.000 2.451 82 A HA 0.526 4.846 4.320 0.000 0.000 0.266 82 A C -2.197 175.379 177.584 -0.014 0.000 1.119 82 A CA -1.152 50.885 52.037 0.001 0.000 0.786 82 A CB -0.251 18.763 19.000 0.023 0.000 1.061 82 A HN 0.659 nan 8.150 nan 0.000 0.503 83 P HA -0.062 nan 4.420 nan 0.000 0.268 83 P C 0.268 177.585 177.300 0.029 0.000 1.204 83 P CA 0.124 63.228 63.100 0.007 0.000 0.768 83 P CB 0.461 32.160 31.700 -0.003 0.000 0.842 84 Y N 4.569 124.839 120.300 -0.050 0.000 2.114 84 Y HA -0.325 4.225 4.550 0.000 0.000 0.282 84 Y C 1.900 177.784 175.900 -0.026 0.000 1.165 84 Y CA 2.825 60.903 58.100 -0.037 0.000 1.148 84 Y CB -0.729 37.711 38.460 -0.034 0.000 0.972 84 Y HN 0.377 nan 8.280 nan 0.000 0.504 85 D N -0.132 120.194 120.400 -0.123 0.000 2.182 85 D HA -0.231 4.409 4.640 0.000 0.000 0.201 85 D C 1.965 178.148 176.300 -0.195 0.000 0.986 85 D CA 1.828 55.708 54.000 -0.201 0.000 0.847 85 D CB -0.941 39.844 40.800 -0.025 0.000 0.942 85 D HN 0.514 nan 8.370 nan 0.000 0.467 86 L N -0.164 120.984 121.223 -0.126 0.000 2.249 86 L HA 0.028 4.368 4.340 0.000 0.000 0.207 86 L C 2.481 179.292 176.870 -0.100 0.000 1.090 86 L CA 0.180 54.970 54.840 -0.084 0.000 0.802 86 L CB 0.119 42.160 42.059 -0.030 0.000 0.947 86 L HN -0.043 nan 8.230 nan 0.000 0.453 87 V N 0.937 120.770 119.914 -0.135 0.000 2.453 87 V HA -0.257 3.863 4.120 0.000 0.000 0.247 87 V C 2.480 178.453 176.094 -0.201 0.000 1.048 87 V CA 1.899 64.118 62.300 -0.135 0.000 1.049 87 V CB -0.538 31.222 31.823 -0.104 0.000 0.672 87 V HN 0.564 nan 8.190 nan 0.000 0.457 88 K N 1.298 121.485 120.400 -0.355 0.000 2.211 88 K HA -0.202 4.118 4.320 0.000 0.000 0.204 88 K C 1.801 178.280 176.600 -0.201 0.000 1.047 88 K CA 1.929 58.001 56.287 -0.358 0.000 0.935 88 K CB -0.776 31.339 32.500 -0.642 0.000 0.728 88 K HN 0.588 nan 8.250 nan 0.000 0.452 89 T N -0.941 113.516 114.554 -0.161 0.000 3.085 89 T HA 0.048 4.398 4.350 0.000 0.000 0.263 89 T C 0.785 175.449 174.700 -0.059 0.000 1.127 89 T CA 0.253 62.298 62.100 -0.093 0.000 1.103 89 T CB -0.508 68.318 68.868 -0.070 0.000 0.921 89 T HN 0.489 nan 8.240 nan 0.000 0.510 90 M N -1.559 117.996 119.600 -0.075 0.000 2.414 90 M HA 0.560 5.040 4.480 0.000 0.000 0.287 90 M C 0.265 176.484 176.300 -0.135 0.000 1.181 90 M CA -1.112 54.147 55.300 -0.068 0.000 0.933 90 M CB 1.920 34.509 32.600 -0.018 0.000 1.732 90 M HN -0.379 nan 8.290 nan 0.000 0.486 91 R N 1.245 121.647 120.500 -0.162 0.000 2.081 91 R HA -0.035 4.305 4.340 0.000 0.000 0.235 91 R C 2.010 178.033 176.300 -0.463 0.000 1.131 91 R CA 1.983 57.920 56.100 -0.272 0.000 0.960 91 R CB -0.493 29.660 30.300 -0.245 0.000 0.856 91 R HN 0.917 nan 8.270 nan 0.000 0.436 92 A N 0.940 123.494 122.820 -0.443 0.000 2.194 92 A HA -0.161 4.159 4.320 0.000 0.000 0.220 92 A C 2.040 179.241 177.584 -0.639 0.000 1.162 92 A CA 1.476 53.130 52.037 -0.638 0.000 0.674 92 A CB -0.453 18.518 19.000 -0.048 0.000 0.789 92 A HN 0.247 nan 8.150 nan 0.000 0.470 93 S N -0.376 115.074 115.700 -0.417 0.000 2.387 93 S HA -0.205 4.265 4.470 0.000 0.000 0.230 93 S C 1.736 176.040 174.600 -0.493 0.000 1.035 93 S CA 1.449 59.436 58.200 -0.355 0.000 1.014 93 S CB -0.424 62.663 63.200 -0.189 0.000 0.836 93 S HN 0.618 nan 8.310 nan 0.000 0.466 94 I N 1.000 121.238 120.570 -0.553 0.000 2.423 94 I HA -0.135 4.035 4.170 0.000 0.000 0.254 94 I C 1.364 177.230 176.117 -0.419 0.000 1.151 94 I CA 0.931 61.917 61.300 -0.524 0.000 1.421 94 I CB -0.385 37.168 38.000 -0.745 0.000 1.079 94 I HN 0.387 nan 8.210 nan 0.000 0.431 95 W N 0.346 121.303 121.300 -0.572 0.000 2.848 95 W HA 0.107 4.767 4.660 0.000 0.000 0.241 95 W C 2.265 178.559 176.519 -0.376 0.000 1.289 95 W CA 0.695 57.753 57.345 -0.479 0.000 1.396 95 W CB -1.198 27.942 29.460 -0.534 0.000 1.138 95 W HN 0.301 nan 8.180 nan 0.000 0.677 96 A N -0.518 122.181 122.820 -0.202 0.000 2.132 96 A HA 0.008 4.328 4.320 0.000 0.000 0.213 96 A C 1.899 179.562 177.584 0.132 0.000 1.154 96 A CA 0.504 52.627 52.037 0.144 0.000 0.753 96 A CB -0.375 18.756 19.000 0.218 0.000 0.826 96 A HN 0.123 nan 8.150 nan 0.000 0.469 97 L N 0.306 121.564 121.223 0.060 0.000 1.961 97 L HA 0.009 4.349 4.340 0.000 0.000 0.210 97 L C 2.429 179.365 176.870 0.110 0.000 1.072 97 L CA 2.528 57.412 54.840 0.074 0.000 0.749 97 L CB -1.281 40.794 42.059 0.027 0.000 0.889 97 L HN 0.288 nan 8.230 nan 0.000 0.432 98 G N -0.544 108.332 108.800 0.126 0.000 2.491 98 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 98 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 98 G C -0.616 174.357 174.900 0.122 0.000 1.180 98 G CA 1.099 46.272 45.100 0.121 0.000 0.774 98 G HN 0.400 nan 8.290 nan 0.000 0.562 99 P HA -0.061 nan 4.420 nan 0.000 0.215 99 P C 2.122 179.554 177.300 0.221 0.000 1.157 99 P CA 0.766 63.966 63.100 0.167 0.000 0.868 99 P CB -0.146 31.680 31.700 0.210 0.000 0.788 100 L N -1.072 120.306 121.223 0.258 0.000 2.042 100 L HA -0.150 4.190 4.340 0.000 0.000 0.210 100 L C 2.493 179.493 176.870 0.215 0.000 1.076 100 L CA 1.354 56.389 54.840 0.325 0.000 0.749 100 L CB -1.115 41.088 42.059 0.240 0.000 0.893 100 L HN -0.069 nan 8.230 nan 0.000 0.432 101 V N -0.258 119.726 119.914 0.117 0.000 2.453 101 V HA -0.175 3.946 4.120 0.000 0.000 0.247 101 V C 2.530 178.641 176.094 0.028 0.000 1.048 101 V CA 1.731 64.062 62.300 0.051 0.000 1.049 101 V CB 0.054 31.902 31.823 0.043 0.000 0.672 101 V HN 0.401 nan 8.190 nan 0.000 0.457 102 A N -0.076 122.767 122.820 0.038 0.000 1.968 102 A HA -0.140 4.180 4.320 0.000 0.000 0.217 102 A C 2.418 179.959 177.584 -0.072 0.000 1.169 102 A CA 1.792 53.824 52.037 -0.007 0.000 0.638 102 A CB -0.484 18.519 19.000 0.005 0.000 0.812 102 A HN 0.587 nan 8.150 nan 0.000 0.446 103 R N -2.217 118.224 120.500 -0.099 0.000 2.128 103 R HA 0.138 4.478 4.340 0.000 0.000 0.211 103 R C 0.527 176.471 176.300 -0.594 0.000 1.067 103 R CA 0.841 56.716 56.100 -0.376 0.000 1.010 103 R CB 0.028 30.008 30.300 -0.533 0.000 0.922 103 R HN 0.457 nan 8.270 nan 0.000 0.457 104 F N -0.743 119.127 119.950 -0.135 0.000 2.682 104 F HA 0.418 4.945 4.527 0.000 0.000 0.308 104 F C 1.214 176.817 175.800 -0.328 0.000 1.093 104 F CA 0.274 58.106 58.000 -0.279 0.000 1.244 104 F CB 1.340 40.003 39.000 -0.562 0.000 1.052 104 F HN 0.231 nan 8.300 nan 0.000 0.573 105 G N 1.292 110.051 108.800 -0.068 0.000 2.168 105 G HA2 -0.259 3.701 3.960 0.000 0.000 0.263 105 G HA3 -0.259 3.701 3.960 0.000 0.000 0.263 105 G C -0.014 174.832 174.900 -0.091 0.000 0.977 105 G CA 0.471 45.527 45.100 -0.073 0.000 0.659 105 G HN 0.552 nan 8.290 nan 0.000 0.533 106 Q N -2.032 117.685 119.800 -0.139 0.000 2.503 106 Q HA 0.602 4.942 4.340 0.000 0.000 0.268 106 Q C -0.588 175.385 176.000 -0.046 0.000 0.982 106 Q CA -0.614 55.124 55.803 -0.108 0.000 0.907 106 Q CB 1.345 30.004 28.738 -0.132 0.000 1.467 106 Q HN 1.537 nan 8.270 nan 0.000 0.394 107 G N 1.087 109.919 108.800 0.054 0.000 2.742 107 G HA2 0.509 4.469 3.960 0.000 0.000 0.296 107 G HA3 0.509 4.469 3.960 0.000 0.000 0.296 107 G C -2.143 172.812 174.900 0.092 0.000 1.436 107 G CA -0.506 44.660 45.100 0.110 0.000 0.928 107 G HN 0.562 nan 8.290 nan 0.000 0.520 108 Q N 0.637 120.484 119.800 0.079 0.000 2.285 108 Q HA 0.669 5.009 4.340 0.000 0.000 0.269 108 Q C -1.530 174.476 176.000 0.010 0.000 1.030 108 Q CA -0.641 55.190 55.803 0.046 0.000 0.788 108 Q CB 2.705 31.433 28.738 -0.018 0.000 1.266 108 Q HN 0.505 nan 8.270 nan 0.000 0.438 109 V N 1.498 121.433 119.914 0.036 0.000 3.007 109 V HA 0.529 4.649 4.120 0.000 0.000 0.311 109 V C -0.418 175.719 176.094 0.072 0.000 1.120 109 V CA -0.898 61.411 62.300 0.015 0.000 0.980 109 V CB 2.259 34.072 31.823 -0.017 0.000 1.033 109 V HN 0.809 nan 8.190 nan 0.000 0.429 110 S N 2.701 118.442 115.700 0.069 0.000 2.610 110 S HA 0.756 5.226 4.470 0.000 0.000 0.273 110 S C -0.431 174.224 174.600 0.092 0.000 1.274 110 S CA -0.437 57.856 58.200 0.155 0.000 1.023 110 S CB 0.792 64.138 63.200 0.245 0.000 0.962 110 S HN 0.477 nan 8.310 nan 0.000 0.523 111 L N 1.836 123.118 121.223 0.098 0.000 2.303 111 L HA 0.516 4.856 4.340 0.000 0.000 0.266 111 L C -2.366 174.526 176.870 0.036 0.000 1.011 111 L CA -2.535 52.319 54.840 0.024 0.000 0.818 111 L CB 0.837 42.894 42.059 -0.004 0.000 1.326 111 L HN 0.368 nan 8.230 nan 0.000 0.435 112 P HA 0.097 nan 4.420 nan 0.000 0.263 112 P C -0.183 177.128 177.300 0.018 0.000 1.195 112 P CA -0.017 63.088 63.100 0.008 0.000 0.762 112 P CB 0.524 32.211 31.700 -0.022 0.000 0.799 113 G N 1.301 110.122 108.800 0.036 0.000 2.504 113 G HA2 0.580 4.540 3.960 0.000 0.000 0.288 113 G HA3 0.580 4.540 3.960 0.000 0.000 0.288 113 G C 0.269 175.177 174.900 0.013 0.000 1.182 113 G CA 0.045 45.159 45.100 0.024 0.000 0.894 113 G HN 0.777 nan 8.290 nan 0.000 0.521 114 G N -1.609 107.194 108.800 0.006 0.000 2.013 114 G HA2 0.198 4.158 3.960 0.000 0.000 0.076 114 G HA3 0.198 4.158 3.960 0.000 0.000 0.076 114 G C 0.144 175.044 174.900 0.001 0.000 1.053 114 G CA 0.733 45.835 45.100 0.004 0.000 1.230 114 G HN 1.406 nan 8.290 nan 0.000 0.431 115 C N -1.164 118.137 119.300 0.001 0.000 3.934 115 C HA 0.777 5.237 4.460 0.000 0.000 0.152 115 C C 1.526 176.518 174.990 0.002 0.000 3.727 115 C CA 1.575 60.593 59.018 0.001 0.000 1.313 115 C CB 0.240 27.980 27.740 0.001 0.000 3.449 115 C HN 2.745 nan 8.230 nan 0.000 0.471 116 A N 1.263 124.084 122.820 0.002 0.000 2.415 116 A HA -0.125 4.195 4.320 0.000 0.000 0.292 116 A C -0.082 177.506 177.584 0.008 0.000 1.452 116 A CA 0.449 52.488 52.037 0.003 0.000 0.750 116 A CB -1.794 17.205 19.000 -0.001 0.000 1.099 116 A HN 0.628 nan 8.150 nan 0.000 0.391 117 I N -0.239 120.338 120.570 0.011 0.000 2.752 117 I HA 0.273 4.443 4.170 0.000 0.000 0.286 117 I C 1.657 177.789 176.117 0.025 0.000 1.180 117 I CA 2.097 63.410 61.300 0.020 0.000 1.404 117 I CB -0.610 37.402 38.000 0.019 0.000 1.389 117 I HN 1.337 nan 8.210 nan 0.000 0.549 118 G N 4.964 113.788 108.800 0.039 0.000 2.307 118 G HA2 -0.226 3.734 3.960 0.000 0.000 0.210 118 G HA3 -0.226 3.734 3.960 0.000 0.000 0.210 118 G C 0.980 175.901 174.900 0.036 0.000 1.005 118 G CA 0.564 45.690 45.100 0.042 0.000 0.634 118 G HN 0.750 nan 8.290 nan 0.000 0.496 119 A N 1.010 123.842 122.820 0.021 0.000 1.823 119 A HA 0.375 4.695 4.320 0.000 0.000 0.214 119 A C 1.430 179.023 177.584 0.014 0.000 1.225 119 A CA 1.564 53.607 52.037 0.009 0.000 0.604 119 A CB -0.536 18.462 19.000 -0.003 0.000 0.878 119 A HN 0.687 nan 8.150 nan 0.000 0.450 120 R N 0.192 120.697 120.500 0.008 0.000 4.098 120 R HA -0.134 4.206 4.340 0.000 0.000 0.151 120 R C -1.945 174.365 176.300 0.017 0.000 0.451 120 R CA 0.140 56.240 56.100 0.001 0.000 0.858 120 R CB -0.313 29.984 30.300 -0.005 0.000 1.051 120 R HN 0.353 nan 8.270 nan 0.000 0.263 121 P HA -0.139 nan 4.420 nan 0.000 0.222 121 P C 1.308 178.677 177.300 0.114 0.000 1.147 121 P CA 0.864 63.995 63.100 0.052 0.000 0.790 121 P CB 0.161 31.879 31.700 0.031 0.000 0.780 122 V N -3.284 116.641 119.914 0.019 0.000 2.913 122 V HA -0.199 3.921 4.120 0.000 0.000 0.260 122 V C 1.503 177.603 176.094 0.010 0.000 1.098 122 V CA 1.843 64.131 62.300 -0.020 0.000 1.121 122 V CB -1.305 30.425 31.823 -0.156 0.000 0.714 122 V HN -0.002 nan 8.190 nan 0.000 0.487 123 D N 1.295 121.694 120.400 -0.001 0.000 2.123 123 D HA -0.133 4.507 4.640 0.000 0.000 0.196 123 D C 2.110 178.413 176.300 0.005 0.000 0.992 123 D CA 1.848 55.795 54.000 -0.090 0.000 0.833 123 D CB -0.369 40.519 40.800 0.147 0.000 0.954 123 D HN 0.491 nan 8.370 nan 0.000 0.455 124 L N 0.348 121.662 121.223 0.152 0.000 2.127 124 L HA -0.188 4.152 4.340 0.000 0.000 0.211 124 L C 2.477 179.389 176.870 0.070 0.000 1.089 124 L CA 1.124 56.050 54.840 0.145 0.000 0.757 124 L CB -0.446 41.647 42.059 0.057 0.000 0.899 124 L HN 0.233 nan 8.230 nan 0.000 0.434 125 H N -0.450 118.618 119.070 -0.005 0.000 2.326 125 H HA -0.095 4.461 4.556 0.000 0.000 0.301 125 H C 2.458 177.756 175.328 -0.050 0.000 1.081 125 H CA 1.633 57.677 56.048 -0.006 0.000 1.334 125 H CB 0.110 29.855 29.762 -0.028 0.000 1.385 125 H HN 0.330 nan 8.280 nan 0.000 0.504 126 I N 0.393 120.944 120.570 -0.032 0.000 2.142 126 I HA -0.289 3.881 4.170 0.000 0.000 0.240 126 I C 2.164 178.180 176.117 -0.169 0.000 1.078 126 I CA 1.475 62.655 61.300 -0.200 0.000 1.343 126 I CB -0.422 37.294 38.000 -0.472 0.000 1.046 126 I HN 0.086 nan 8.210 nan 0.000 0.405 127 F N 0.554 120.533 119.950 0.048 0.000 2.234 127 F HA -0.107 4.420 4.527 0.000 0.000 0.299 127 F C 2.529 178.346 175.800 0.028 0.000 1.087 127 F CA 0.793 58.811 58.000 0.031 0.000 1.340 127 F CB -0.793 38.220 39.000 0.023 0.000 1.031 127 F HN 0.072 nan 8.300 nan 0.000 0.500 128 G N 0.523 109.428 108.800 0.175 0.000 2.421 128 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 128 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 128 G C 1.660 176.610 174.900 0.085 0.000 1.171 128 G CA 0.594 45.757 45.100 0.105 0.000 0.775 128 G HN 0.268 nan 8.290 nan 0.000 0.543 129 L N 0.310 121.577 121.223 0.075 0.000 2.083 129 L HA -0.059 4.281 4.340 0.000 0.000 0.209 129 L C 2.773 179.681 176.870 0.063 0.000 1.083 129 L CA 1.470 56.346 54.840 0.061 0.000 0.752 129 L CB -0.343 41.748 42.059 0.053 0.000 0.899 129 L HN 0.404 nan 8.230 nan 0.000 0.433 130 E N 0.340 120.591 120.200 0.084 0.000 2.110 130 E HA -0.233 4.117 4.350 0.000 0.000 0.193 130 E C 2.079 178.730 176.600 0.084 0.000 0.988 130 E CA 0.964 57.420 56.400 0.094 0.000 0.804 130 E CB 0.210 30.003 29.700 0.153 0.000 0.745 130 E HN 0.259 nan 8.360 nan 0.000 0.458 131 K N 0.402 120.857 120.400 0.091 0.000 2.148 131 K HA -0.065 4.255 4.320 0.000 0.000 0.204 131 K C 2.057 178.688 176.600 0.052 0.000 1.050 131 K CA 0.625 56.954 56.287 0.070 0.000 0.942 131 K CB -0.141 32.402 32.500 0.072 0.000 0.724 131 K HN 0.309 nan 8.250 nan 0.000 0.446 132 L N -0.015 121.236 121.223 0.048 0.000 2.622 132 L HA -0.014 4.326 4.340 0.000 0.000 0.233 132 L C 1.067 177.954 176.870 0.028 0.000 1.156 132 L CA 0.609 55.469 54.840 0.033 0.000 0.866 132 L CB -0.293 41.783 42.059 0.029 0.000 0.980 132 L HN 0.388 nan 8.230 nan 0.000 0.448 133 G N -0.532 108.288 108.800 0.034 0.000 2.159 133 G HA2 -0.206 3.754 3.960 0.000 0.000 0.227 133 G HA3 -0.206 3.754 3.960 0.000 0.000 0.227 133 G C 0.303 175.219 174.900 0.026 0.000 0.986 133 G CA -0.135 44.981 45.100 0.027 0.000 0.651 133 G HN 0.465 nan 8.290 nan 0.000 0.523 134 A N 0.031 122.870 122.820 0.032 0.000 2.388 134 A HA 0.652 4.972 4.320 0.000 0.000 0.257 134 A C 0.383 177.986 177.584 0.031 0.000 1.095 134 A CA 0.000 52.054 52.037 0.029 0.000 0.791 134 A CB 0.408 19.427 19.000 0.031 0.000 1.029 134 A HN 0.434 nan 8.150 nan 0.000 0.489 135 E N 1.211 121.426 120.200 0.026 0.000 2.259 135 E HA 0.338 4.689 4.350 0.000 0.000 0.281 135 E C -0.650 175.966 176.600 0.027 0.000 1.027 135 E CA -0.236 56.180 56.400 0.026 0.000 0.838 135 E CB 0.866 30.580 29.700 0.022 0.000 1.066 135 E HN 0.435 nan 8.360 nan 0.000 0.401 136 I N 2.897 123.483 120.570 0.026 0.000 2.493 136 I HA 0.313 4.483 4.170 0.000 0.000 0.298 136 I C -0.143 175.978 176.117 0.008 0.000 0.998 136 I CA -0.683 60.626 61.300 0.015 0.000 1.137 136 I CB 1.581 39.584 38.000 0.004 0.000 1.310 136 I HN 0.443 nan 8.210 nan 0.000 0.445 137 K N 5.541 125.942 120.400 0.002 0.000 2.507 137 K HA 0.544 4.864 4.320 0.000 0.000 0.252 137 K C -1.921 174.635 176.600 -0.073 0.000 0.943 137 K CA -0.517 55.758 56.287 -0.019 0.000 0.808 137 K CB 1.282 33.788 32.500 0.010 0.000 1.142 137 K HN 0.303 nan 8.250 nan 0.000 0.426 138 L N 5.288 126.444 121.223 -0.112 0.000 2.313 138 L HA 0.416 4.756 4.340 0.000 0.000 0.273 138 L C -0.764 175.961 176.870 -0.241 0.000 1.028 138 L CA -0.003 54.732 54.840 -0.174 0.000 0.871 138 L CB 0.719 42.712 42.059 -0.109 0.000 1.242 138 L HN 0.779 nan 8.230 nan 0.000 0.434 139 E N 0.901 120.826 120.200 -0.458 0.000 2.413 139 E HA 0.479 4.830 4.350 0.000 0.000 0.277 139 E C -0.845 175.330 176.600 -0.708 0.000 0.958 139 E CA -0.873 55.262 56.400 -0.442 0.000 0.779 139 E CB 1.209 30.721 29.700 -0.313 0.000 1.278 139 E HN 0.328 nan 8.360 nan 0.000 0.456 140 E N 0.559 120.556 120.200 -0.339 0.000 2.238 140 E HA -0.260 4.090 4.350 0.000 0.000 0.219 140 E C 0.453 176.991 176.600 -0.104 0.000 1.275 140 E CA 0.767 57.066 56.400 -0.168 0.000 0.714 140 E CB -1.842 27.880 29.700 0.037 0.000 1.154 140 E HN 1.043 nan 8.360 nan 0.000 0.363 141 G N -0.244 108.469 108.800 -0.146 0.000 2.323 141 G HA2 -0.272 3.688 3.960 0.000 0.000 0.292 141 G HA3 -0.272 3.688 3.960 0.000 0.000 0.292 141 G C -0.231 174.725 174.900 0.094 0.000 1.040 141 G CA 1.114 46.196 45.100 -0.030 0.000 0.942 141 G HN 0.805 nan 8.290 nan 0.000 0.506 142 Y N -4.010 116.278 120.300 -0.020 0.000 2.788 142 Y HA 0.716 5.266 4.550 0.000 0.000 0.335 142 Y C -0.542 175.342 175.900 -0.027 0.000 1.287 142 Y CA -1.431 56.658 58.100 -0.017 0.000 1.068 142 Y CB 0.590 39.049 38.460 -0.002 0.000 1.340 142 Y HN 0.603 nan 8.280 nan 0.000 0.449 143 V N 0.464 120.565 119.914 0.311 0.000 2.769 143 V HA 0.646 4.766 4.120 0.000 0.000 0.312 143 V C -0.978 175.265 176.094 0.248 0.000 1.061 143 V CA -1.437 60.959 62.300 0.160 0.000 0.931 143 V CB 1.795 33.641 31.823 0.038 0.000 1.010 143 V HN 0.712 nan 8.190 nan 0.000 0.433 144 K N 2.105 122.602 120.400 0.161 0.000 2.535 144 K HA 0.772 5.093 4.320 0.000 0.000 0.253 144 K C -0.731 175.915 176.600 0.075 0.000 0.953 144 K CA -0.292 56.082 56.287 0.145 0.000 0.863 144 K CB 2.133 34.735 32.500 0.170 0.000 1.111 144 K HN 0.943 nan 8.250 nan 0.000 0.431 145 A N 1.959 124.816 122.820 0.061 0.000 2.304 145 A HA 0.717 5.037 4.320 0.000 0.000 0.323 145 A C -0.456 177.148 177.584 0.033 0.000 1.195 145 A CA -0.546 51.516 52.037 0.041 0.000 0.826 145 A CB 0.862 19.885 19.000 0.039 0.000 1.184 145 A HN 0.662 nan 8.150 nan 0.000 0.496 146 S N 0.611 116.325 115.700 0.023 0.000 2.556 146 S HA 0.759 5.229 4.470 0.000 0.000 0.271 146 S C -1.242 173.361 174.600 0.006 0.000 1.135 146 S CA -0.623 57.582 58.200 0.008 0.000 0.858 146 S CB 1.405 64.611 63.200 0.010 0.000 1.114 146 S HN 1.873 nan 8.310 nan 0.000 0.468 147 V N 1.279 121.189 119.914 -0.006 0.000 2.888 147 V HA 0.558 4.678 4.120 0.000 0.000 0.309 147 V C -1.589 174.498 176.094 -0.012 0.000 1.114 147 V CA -0.901 61.396 62.300 -0.005 0.000 0.940 147 V CB 2.134 33.954 31.823 -0.006 0.000 1.021 147 V HN 1.067 nan 8.190 nan 0.000 0.426 148 N N 4.853 123.549 118.700 -0.007 0.000 2.500 148 N HA 0.621 5.361 4.740 0.000 0.000 0.236 148 N C 0.364 175.867 175.510 -0.012 0.000 1.022 148 N CA 0.446 53.491 53.050 -0.008 0.000 0.935 148 N CB 1.262 39.748 38.487 -0.002 0.000 1.147 148 N HN 1.269 nan 8.380 nan 0.000 0.512 149 G N 1.846 110.635 108.800 -0.019 0.000 2.513 149 G HA2 -0.239 3.721 3.960 0.000 0.000 0.227 149 G HA3 -0.239 3.721 3.960 0.000 0.000 0.227 149 G C -0.586 174.295 174.900 -0.030 0.000 1.176 149 G CA -0.707 44.379 45.100 -0.023 0.000 0.967 149 G HN 0.460 nan 8.290 nan 0.000 0.587 150 R N -0.439 120.045 120.500 -0.027 0.000 2.674 150 R HA 0.673 5.013 4.340 0.000 0.000 0.266 150 R C 0.419 176.707 176.300 -0.019 0.000 1.016 150 R CA -0.810 55.272 56.100 -0.030 0.000 1.062 150 R CB 0.987 31.267 30.300 -0.033 0.000 1.142 150 R HN 0.467 nan 8.270 nan 0.000 0.517 151 L N 1.558 122.771 121.223 -0.017 0.000 2.472 151 L HA 0.218 4.559 4.340 0.000 0.000 0.260 151 L C -0.031 176.835 176.870 -0.006 0.000 1.209 151 L CA -0.067 54.769 54.840 -0.006 0.000 0.817 151 L CB 0.284 42.342 42.059 -0.003 0.000 1.106 151 L HN 0.267 nan 8.230 nan 0.000 0.479 152 K N 0.290 120.691 120.400 0.002 0.000 2.259 152 K HA 0.439 4.759 4.320 0.000 0.000 0.252 152 K C -0.113 176.491 176.600 0.006 0.000 0.936 152 K CA -0.389 55.899 56.287 0.002 0.000 0.810 152 K CB 1.857 34.360 32.500 0.006 0.000 1.143 152 K HN 0.603 nan 8.250 nan 0.000 0.427 153 G N 0.839 109.641 108.800 0.003 0.000 2.432 153 G HA2 0.436 4.396 3.960 0.000 0.000 0.239 153 G HA3 0.436 4.396 3.960 0.000 0.000 0.239 153 G C -0.725 174.185 174.900 0.018 0.000 1.291 153 G CA 0.020 45.123 45.100 0.004 0.000 0.863 153 G HN 0.590 nan 8.290 nan 0.000 0.560 154 A N 1.649 124.482 122.820 0.022 0.000 2.556 154 A HA 0.660 4.980 4.320 0.000 0.000 0.294 154 A C -1.023 176.598 177.584 0.062 0.000 1.091 154 A CA -0.785 51.282 52.037 0.049 0.000 0.704 154 A CB 1.280 20.309 19.000 0.048 0.000 1.300 154 A HN 0.960 nan 8.150 nan 0.000 0.406 155 H N 0.727 119.799 119.070 0.003 0.000 2.640 155 H HA 0.639 5.195 4.556 0.000 0.000 0.297 155 H C -0.905 174.426 175.328 0.004 0.000 1.073 155 H CA -0.173 55.876 56.048 0.002 0.000 1.305 155 H CB 0.189 29.952 29.762 0.000 0.000 1.404 155 H HN 0.479 nan 8.280 nan 0.000 0.459 156 I N 5.971 126.585 120.570 0.074 0.000 2.378 156 I HA 0.186 4.356 4.170 0.000 0.000 0.291 156 I C -0.616 175.556 176.117 0.091 0.000 0.992 156 I CA -1.032 60.321 61.300 0.088 0.000 1.154 156 I CB 1.926 39.947 38.000 0.034 0.000 1.315 156 I HN 0.342 nan 8.210 nan 0.000 0.448 157 V N 6.813 126.791 119.914 0.107 0.000 2.311 157 V HA 0.303 4.424 4.120 0.000 0.000 0.275 157 V C 0.400 176.521 176.094 0.045 0.000 1.022 157 V CA -0.596 61.753 62.300 0.082 0.000 0.830 157 V CB 1.099 32.973 31.823 0.084 0.000 1.012 157 V HN 0.616 nan 8.190 nan 0.000 0.452 158 M N 3.029 122.648 119.600 0.032 0.000 2.227 158 M HA 0.127 4.607 4.480 0.000 0.000 0.349 158 M C 1.079 177.393 176.300 0.023 0.000 1.443 158 M CA 0.281 55.595 55.300 0.024 0.000 1.110 158 M CB 0.153 32.763 32.600 0.015 0.000 1.773 158 M HN 0.676 nan 8.290 nan 0.000 0.463 159 D N 2.873 123.285 120.400 0.020 0.000 2.162 159 D HA 0.004 4.644 4.640 0.000 0.000 0.203 159 D C -0.134 176.176 176.300 0.018 0.000 0.967 159 D CA 1.263 55.272 54.000 0.015 0.000 0.840 159 D CB 0.648 41.453 40.800 0.008 0.000 0.972 159 D HN 0.469 nan 8.370 nan 0.000 0.482 160 K N 0.184 120.597 120.400 0.021 0.000 2.270 160 K HA 0.382 4.702 4.320 0.000 0.000 0.255 160 K C -1.132 175.482 176.600 0.023 0.000 0.936 160 K CA -0.895 55.405 56.287 0.022 0.000 0.809 160 K CB 3.022 35.535 32.500 0.022 0.000 1.131 160 K HN -0.208 nan 8.250 nan 0.000 0.427 161 V N 2.496 122.427 119.914 0.029 0.000 2.421 161 V HA 0.013 4.133 4.120 0.000 0.000 0.271 161 V C 0.136 176.252 176.094 0.037 0.000 1.031 161 V CA 0.245 62.565 62.300 0.033 0.000 1.032 161 V CB 0.678 32.526 31.823 0.042 0.000 1.009 161 V HN 0.718 nan 8.190 nan 0.000 0.477 162 S N 4.431 120.148 115.700 0.029 0.000 2.659 162 S HA 0.371 4.841 4.470 0.000 0.000 0.312 162 S C 0.716 175.347 174.600 0.053 0.000 1.114 162 S CA -0.677 57.544 58.200 0.035 0.000 1.063 162 S CB 1.743 64.946 63.200 0.006 0.000 0.996 162 S HN 0.365 nan 8.310 nan 0.000 0.478 163 V N 5.580 125.551 119.914 0.096 0.000 2.287 163 V HA -0.094 4.026 4.120 0.000 0.000 0.248 163 V C 2.636 178.871 176.094 0.236 0.000 1.053 163 V CA 2.645 65.029 62.300 0.139 0.000 1.027 163 V CB -1.229 30.692 31.823 0.164 0.000 0.646 163 V HN 0.937 nan 8.190 nan 0.000 0.447 164 G N -0.632 108.344 108.800 0.293 0.000 2.433 164 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 164 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 164 G C 1.767 176.799 174.900 0.220 0.000 1.186 164 G CA 1.049 46.459 45.100 0.517 0.000 0.779 164 G HN 0.622 nan 8.290 nan 0.000 0.543 165 A N 0.146 122.771 122.820 -0.325 0.000 1.930 165 A HA 0.017 4.337 4.320 0.000 0.000 0.217 165 A C 2.520 180.008 177.584 -0.160 0.000 1.175 165 A CA 2.387 54.074 52.037 -0.584 0.000 0.627 165 A CB -0.928 17.829 19.000 -0.405 0.000 0.815 165 A HN 0.297 nan 8.150 nan 0.000 0.443 166 T N -0.216 114.308 114.554 -0.050 0.000 2.684 166 T HA -0.151 4.199 4.350 0.000 0.000 0.267 166 T C 1.876 176.568 174.700 -0.014 0.000 1.036 166 T CA 1.697 63.785 62.100 -0.019 0.000 1.148 166 T CB -0.483 68.385 68.868 -0.001 0.000 0.863 166 T HN 0.156 nan 8.240 nan 0.000 0.436 167 V N 1.326 121.249 119.914 0.015 0.000 2.295 167 V HA -0.206 3.914 4.120 0.000 0.000 0.246 167 V C 2.799 178.879 176.094 -0.024 0.000 1.049 167 V CA 2.120 64.369 62.300 -0.085 0.000 1.024 167 V CB -1.102 30.530 31.823 -0.319 0.000 0.648 167 V HN 0.531 nan 8.190 nan 0.000 0.447 168 T N 0.248 114.895 114.554 0.155 0.000 2.674 168 T HA -0.139 4.211 4.350 0.000 0.000 0.265 168 T C 1.805 176.558 174.700 0.089 0.000 1.039 168 T CA 1.960 64.191 62.100 0.217 0.000 1.150 168 T CB -0.291 68.832 68.868 0.425 0.000 0.864 168 T HN 0.337 nan 8.240 nan 0.000 0.427 169 I N 0.840 121.431 120.570 0.034 0.000 2.179 169 I HA -0.195 3.975 4.170 0.000 0.000 0.242 169 I C 2.609 178.726 176.117 0.001 0.000 1.088 169 I CA 1.366 62.675 61.300 0.015 0.000 1.357 169 I CB -0.403 37.594 38.000 -0.005 0.000 1.051 169 I HN 0.263 nan 8.210 nan 0.000 0.409 170 M N 0.344 119.935 119.600 -0.015 0.000 2.117 170 M HA -0.216 4.264 4.480 0.000 0.000 0.262 170 M C 2.436 178.719 176.300 -0.028 0.000 1.065 170 M CA 1.921 57.204 55.300 -0.029 0.000 1.114 170 M CB -0.014 32.561 32.600 -0.042 0.000 1.361 170 M HN 0.131 nan 8.290 nan 0.000 0.408 171 S N 0.825 116.512 115.700 -0.023 0.000 2.355 171 S HA -0.055 4.415 4.470 0.000 0.000 0.222 171 S C 2.048 176.649 174.600 0.002 0.000 1.031 171 S CA 1.311 59.503 58.200 -0.013 0.000 0.993 171 S CB -0.569 62.630 63.200 -0.002 0.000 0.859 171 S HN 0.691 nan 8.310 nan 0.000 0.453 172 A N 1.551 124.384 122.820 0.021 0.000 1.933 172 A HA 0.111 4.431 4.320 0.000 0.000 0.218 172 A C 2.307 179.891 177.584 0.000 0.000 1.175 172 A CA 1.653 53.703 52.037 0.022 0.000 0.628 172 A CB -0.994 18.031 19.000 0.041 0.000 0.814 172 A HN 0.517 nan 8.150 nan 0.000 0.444 173 A N -0.092 122.724 122.820 -0.007 0.000 2.070 173 A HA -0.069 4.251 4.320 0.000 0.000 0.220 173 A C 2.301 179.868 177.584 -0.029 0.000 1.159 173 A CA 2.202 54.229 52.037 -0.017 0.000 0.656 173 A CB -1.387 17.601 19.000 -0.020 0.000 0.800 173 A HN 0.816 nan 8.150 nan 0.000 0.453 174 T N -2.094 112.438 114.554 -0.036 0.000 2.946 174 T HA -0.027 4.323 4.350 0.000 0.000 0.271 174 T C 1.254 175.923 174.700 -0.052 0.000 1.104 174 T CA 1.459 63.529 62.100 -0.049 0.000 1.114 174 T CB -0.337 68.492 68.868 -0.064 0.000 0.867 174 T HN 0.346 nan 8.240 nan 0.000 0.513 175 L N 0.139 121.334 121.223 -0.047 0.000 2.808 175 L HA 0.541 4.881 4.340 0.000 0.000 0.246 175 L C 1.291 178.134 176.870 -0.045 0.000 1.153 175 L CA -0.529 54.278 54.840 -0.055 0.000 0.956 175 L CB -0.123 41.895 42.059 -0.069 0.000 1.270 175 L HN 0.278 nan 8.230 nan 0.000 0.528 176 A N 0.300 123.101 122.820 -0.033 0.000 2.287 176 A HA 0.300 4.620 4.320 0.000 0.000 0.273 176 A C 0.057 177.627 177.584 -0.024 0.000 1.091 176 A CA -0.262 51.760 52.037 -0.025 0.000 0.817 176 A CB 0.291 19.282 19.000 -0.015 0.000 1.069 176 A HN 0.244 nan 8.150 nan 0.000 0.492 177 E N 0.184 120.373 120.200 -0.019 0.000 2.129 177 E HA 0.449 4.799 4.350 0.000 0.000 0.283 177 E C 0.628 177.221 176.600 -0.012 0.000 1.080 177 E CA 0.963 57.353 56.400 -0.017 0.000 0.867 177 E CB 0.475 30.166 29.700 -0.014 0.000 1.056 177 E HN 1.238 nan 8.360 nan 0.000 0.404 178 G N 2.644 111.436 108.800 -0.013 0.000 2.526 178 G HA2 -0.190 3.770 3.960 0.000 0.000 0.250 178 G HA3 -0.190 3.770 3.960 0.000 0.000 0.250 178 G C -0.404 174.489 174.900 -0.012 0.000 1.289 178 G CA -0.854 44.241 45.100 -0.009 0.000 0.947 178 G HN 0.427 nan 8.290 nan 0.000 0.517 179 T N 1.183 115.733 114.554 -0.007 0.000 2.845 179 T HA 0.664 5.014 4.350 0.000 0.000 0.288 179 T C 0.134 174.825 174.700 -0.016 0.000 0.980 179 T CA 0.416 62.508 62.100 -0.013 0.000 1.071 179 T CB 1.420 70.283 68.868 -0.009 0.000 0.941 179 T HN 0.746 nan 8.240 nan 0.000 0.487 180 T N 3.528 118.062 114.554 -0.033 0.000 2.829 180 T HA 0.627 4.977 4.350 0.000 0.000 0.280 180 T C -0.344 174.301 174.700 -0.092 0.000 0.999 180 T CA -0.503 61.569 62.100 -0.047 0.000 0.983 180 T CB 0.693 69.540 68.868 -0.035 0.000 0.968 180 T HN 0.410 nan 8.240 nan 0.000 0.446 181 I N 3.429 123.899 120.570 -0.166 0.000 2.466 181 I HA 0.471 4.641 4.170 0.000 0.000 0.289 181 I C -0.709 175.255 176.117 -0.255 0.000 1.026 181 I CA -0.819 60.320 61.300 -0.268 0.000 1.078 181 I CB 1.867 39.552 38.000 -0.525 0.000 1.249 181 I HN 0.471 nan 8.210 nan 0.000 0.429 182 I N 6.232 126.708 120.570 -0.157 0.000 2.359 182 I HA 0.269 4.439 4.170 0.000 0.000 0.284 182 I C -0.006 176.065 176.117 -0.077 0.000 1.018 182 I CA -0.504 60.739 61.300 -0.096 0.000 1.173 182 I CB 0.890 38.857 38.000 -0.055 0.000 1.326 182 I HN 0.502 nan 8.210 nan 0.000 0.462 183 E N 6.181 126.348 120.200 -0.055 0.000 2.313 183 E HA 0.251 4.601 4.350 0.000 0.000 0.272 183 E C -0.258 176.346 176.600 0.006 0.000 1.038 183 E CA -0.534 55.860 56.400 -0.011 0.000 0.863 183 E CB 0.750 30.474 29.700 0.041 0.000 1.060 183 E HN 0.472 nan 8.360 nan 0.000 0.402 184 N N -0.180 118.527 118.700 0.011 0.000 2.756 184 N HA -0.170 4.570 4.740 0.000 0.000 0.248 184 N C -0.875 174.643 175.510 0.013 0.000 1.062 184 N CA 0.874 53.934 53.050 0.016 0.000 0.696 184 N CB -1.344 37.155 38.487 0.021 0.000 0.946 184 N HN 0.602 nan 8.380 nan 0.000 0.548 185 A N -0.200 122.624 122.820 0.007 0.000 2.340 185 A HA 0.720 5.040 4.320 0.000 0.000 0.268 185 A C 0.918 178.513 177.584 0.020 0.000 1.100 185 A CA 0.199 52.240 52.037 0.006 0.000 0.803 185 A CB 0.604 19.601 19.000 -0.005 0.000 1.043 185 A HN 0.573 nan 8.150 nan 0.000 0.488 186 A N 1.277 124.111 122.820 0.023 0.000 2.531 186 A HA 0.351 4.671 4.320 0.000 0.000 0.236 186 A C 0.959 178.566 177.584 0.037 0.000 1.062 186 A CA 0.047 52.107 52.037 0.038 0.000 0.760 186 A CB -0.039 18.987 19.000 0.042 0.000 0.995 186 A HN 0.850 nan 8.150 nan 0.000 0.501 187 R N 0.691 121.227 120.500 0.060 0.000 2.397 187 R HA 0.095 4.435 4.340 0.000 0.000 0.241 187 R C -0.410 175.942 176.300 0.088 0.000 0.914 187 R CA -0.201 55.949 56.100 0.083 0.000 1.071 187 R CB 0.203 30.571 30.300 0.115 0.000 1.116 187 R HN 0.796 nan 8.270 nan 0.000 0.524 188 E N 1.464 121.667 120.200 0.006 0.000 2.508 188 E HA -0.082 4.268 4.350 0.000 0.000 0.266 188 E C -1.698 174.792 176.600 -0.184 0.000 1.010 188 E CA -0.765 55.537 56.400 -0.164 0.000 0.955 188 E CB 0.418 30.052 29.700 -0.110 0.000 0.946 188 E HN -0.115 nan 8.360 nan 0.000 0.454 189 P HA -0.166 nan 4.420 nan 0.000 0.218 189 P C 0.319 177.563 177.300 -0.093 0.000 1.148 189 P CA 1.212 64.207 63.100 -0.175 0.000 0.822 189 P CB 0.276 31.847 31.700 -0.215 0.000 0.784 190 E N -1.117 119.022 120.200 -0.101 0.000 2.204 190 E HA -0.120 4.230 4.350 0.000 0.000 0.194 190 E C 1.887 178.447 176.600 -0.068 0.000 0.989 190 E CA 0.778 57.138 56.400 -0.067 0.000 0.824 190 E CB -0.752 28.914 29.700 -0.056 0.000 0.756 190 E HN 0.216 nan 8.360 nan 0.000 0.477 191 I N -0.005 120.529 120.570 -0.060 0.000 2.286 191 I HA -0.161 4.009 4.170 0.000 0.000 0.245 191 I C 2.085 178.178 176.117 -0.041 0.000 1.104 191 I CA 0.779 62.046 61.300 -0.055 0.000 1.397 191 I CB -0.864 37.118 38.000 -0.030 0.000 1.072 191 I HN 0.018 nan 8.210 nan 0.000 0.417 192 V N 1.149 121.050 119.914 -0.022 0.000 2.392 192 V HA -0.296 3.824 4.120 0.000 0.000 0.249 192 V C 2.274 178.379 176.094 0.019 0.000 1.059 192 V CA 2.148 64.449 62.300 0.002 0.000 1.051 192 V CB -0.639 31.193 31.823 0.015 0.000 0.658 192 V HN 0.335 nan 8.190 nan 0.000 0.455 193 D N -0.424 119.987 120.400 0.018 0.000 2.117 193 D HA -0.127 4.513 4.640 0.000 0.000 0.198 193 D C 2.259 178.547 176.300 -0.020 0.000 0.982 193 D CA 1.652 55.692 54.000 0.066 0.000 0.828 193 D CB -0.092 40.751 40.800 0.073 0.000 0.967 193 D HN 0.392 nan 8.370 nan 0.000 0.464 194 T N -0.206 114.306 114.554 -0.069 0.000 2.708 194 T HA -0.114 4.236 4.350 0.000 0.000 0.266 194 T C 1.942 176.610 174.700 -0.055 0.000 1.037 194 T CA 1.486 63.530 62.100 -0.093 0.000 1.146 194 T CB -0.507 68.272 68.868 -0.147 0.000 0.865 194 T HN 0.221 nan 8.240 nan 0.000 0.435 195 A N 2.718 125.508 122.820 -0.051 0.000 1.883 195 A HA -0.206 4.114 4.320 0.000 0.000 0.217 195 A C 2.233 179.786 177.584 -0.052 0.000 1.186 195 A CA 1.754 53.763 52.037 -0.047 0.000 0.624 195 A CB -0.744 18.238 19.000 -0.029 0.000 0.822 195 A HN 0.410 nan 8.150 nan 0.000 0.444 196 N N -1.038 117.653 118.700 -0.014 0.000 2.223 196 N HA -0.137 4.603 4.740 0.000 0.000 0.185 196 N C 1.373 176.815 175.510 -0.113 0.000 1.016 196 N CA 1.503 54.576 53.050 0.038 0.000 0.863 196 N CB -0.618 38.003 38.487 0.223 0.000 0.983 196 N HN 0.590 nan 8.380 nan 0.000 0.429 197 F N 1.701 121.277 119.950 -0.624 0.000 2.146 197 F HA -0.002 4.525 4.527 0.000 0.000 0.298 197 F C 1.969 177.542 175.800 -0.378 0.000 1.096 197 F CA 0.921 58.341 58.000 -0.967 0.000 1.275 197 F CB -0.424 37.996 39.000 -0.967 0.000 1.008 197 F HN -0.095 nan 8.300 nan 0.000 0.480 198 L N -0.433 120.533 121.223 -0.428 0.000 2.017 198 L HA -0.227 4.113 4.340 0.000 0.000 0.208 198 L C 2.442 179.123 176.870 -0.315 0.000 1.073 198 L CA 1.220 55.818 54.840 -0.404 0.000 0.745 198 L CB -1.050 40.901 42.059 -0.180 0.000 0.894 198 L HN 0.025 nan 8.230 nan 0.000 0.432 199 V N 0.276 120.071 119.914 -0.197 0.000 2.332 199 V HA -0.327 3.793 4.120 0.000 0.000 0.248 199 V C 2.790 178.812 176.094 -0.121 0.000 1.055 199 V CA 1.870 64.098 62.300 -0.119 0.000 1.038 199 V CB -0.995 30.796 31.823 -0.053 0.000 0.651 199 V HN 0.508 nan 8.190 nan 0.000 0.450 200 A N -0.363 122.382 122.820 -0.126 0.000 1.978 200 A HA -0.143 4.177 4.320 0.000 0.000 0.220 200 A C 2.057 179.549 177.584 -0.153 0.000 1.170 200 A CA 1.667 53.665 52.037 -0.065 0.000 0.636 200 A CB -0.520 18.534 19.000 0.089 0.000 0.810 200 A HN 0.565 nan 8.150 nan 0.000 0.448 201 L N -1.702 119.340 121.223 -0.302 0.000 2.591 201 L HA 0.235 4.575 4.340 0.000 0.000 0.228 201 L C 1.569 178.333 176.870 -0.177 0.000 1.133 201 L CA 0.532 55.206 54.840 -0.276 0.000 0.880 201 L CB -0.100 41.703 42.059 -0.427 0.000 1.033 201 L HN 0.581 nan 8.230 nan 0.000 0.450 202 G N -0.455 108.259 108.800 -0.144 0.000 2.192 202 G HA2 -0.172 3.788 3.960 0.000 0.000 0.193 202 G HA3 -0.172 3.788 3.960 0.000 0.000 0.193 202 G C 0.346 175.187 174.900 -0.097 0.000 0.999 202 G CA -0.163 44.877 45.100 -0.101 0.000 0.659 202 G HN 0.419 nan 8.290 nan 0.000 0.503 203 A N -0.032 122.716 122.820 -0.120 0.000 2.313 203 A HA 0.709 5.029 4.320 0.000 0.000 0.261 203 A C 0.426 177.966 177.584 -0.074 0.000 1.090 203 A CA 0.247 52.225 52.037 -0.099 0.000 0.807 203 A CB 0.447 19.376 19.000 -0.117 0.000 1.055 203 A HN 0.332 nan 8.150 nan 0.000 0.492 204 K N 0.849 121.213 120.400 -0.060 0.000 2.464 204 K HA 0.580 4.900 4.320 0.000 0.000 0.252 204 K C -1.482 175.092 176.600 -0.044 0.000 1.000 204 K CA 0.290 56.549 56.287 -0.046 0.000 0.951 204 K CB 0.973 33.450 32.500 -0.039 0.000 1.183 204 K HN 0.585 nan 8.250 nan 0.000 0.445 205 I N 1.262 121.807 120.570 -0.041 0.000 2.769 205 I HA 0.360 4.530 4.170 0.000 0.000 0.298 205 I C -0.449 175.651 176.117 -0.028 0.000 1.128 205 I CA -0.760 60.517 61.300 -0.038 0.000 1.031 205 I CB 2.376 40.350 38.000 -0.044 0.000 1.235 205 I HN 0.552 nan 8.210 nan 0.000 0.423 206 S N 2.057 117.742 115.700 -0.025 0.000 2.550 206 S HA 0.775 5.245 4.470 0.000 0.000 0.270 206 S C 0.059 174.649 174.600 -0.017 0.000 1.145 206 S CA 0.054 58.243 58.200 -0.017 0.000 0.852 206 S CB 1.943 65.133 63.200 -0.016 0.000 1.119 206 S HN 1.456 nan 8.310 nan 0.000 0.465 207 G N 0.975 109.769 108.800 -0.010 0.000 2.194 207 G HA2 -0.231 3.729 3.960 0.000 0.000 0.236 207 G HA3 -0.231 3.729 3.960 0.000 0.000 0.236 207 G C 0.126 175.024 174.900 -0.004 0.000 0.987 207 G CA 0.131 45.226 45.100 -0.008 0.000 0.635 207 G HN 1.384 nan 8.290 nan 0.000 0.520 208 Q N 0.431 120.229 119.800 -0.005 0.000 2.286 208 Q HA 0.377 4.717 4.340 0.000 0.000 0.290 208 Q C 1.150 177.158 176.000 0.013 0.000 1.049 208 Q CA 1.148 56.950 55.803 -0.000 0.000 0.923 208 Q CB 0.797 29.533 28.738 -0.003 0.000 1.183 208 Q HN 1.872 nan 8.270 nan 0.000 0.383 209 G N 2.263 111.075 108.800 0.021 0.000 2.194 209 G HA2 -0.278 3.682 3.960 0.000 0.000 0.236 209 G HA3 -0.278 3.682 3.960 0.000 0.000 0.236 209 G C 0.225 175.150 174.900 0.041 0.000 0.987 209 G CA 0.323 45.450 45.100 0.044 0.000 0.635 209 G HN 1.153 nan 8.290 nan 0.000 0.520 210 T N -3.102 111.466 114.554 0.023 0.000 2.905 210 T HA 0.622 4.972 4.350 0.000 0.000 0.283 210 T C 0.682 175.391 174.700 0.015 0.000 1.031 210 T CA 0.405 62.515 62.100 0.017 0.000 1.002 210 T CB 1.711 70.584 68.868 0.008 0.000 1.200 210 T HN -0.191 nan 8.240 nan 0.000 0.560 211 D N 0.597 121.005 120.400 0.012 0.000 2.263 211 D HA 0.003 4.643 4.640 0.000 0.000 0.208 211 D C 0.909 177.210 176.300 0.002 0.000 0.971 211 D CA 1.074 55.081 54.000 0.011 0.000 0.867 211 D CB 0.025 40.833 40.800 0.013 0.000 0.929 211 D HN 0.661 nan 8.370 nan 0.000 0.492 212 R N -0.054 120.442 120.500 -0.007 0.000 2.538 212 R HA 0.555 4.896 4.340 0.000 0.000 0.292 212 R C -0.981 175.300 176.300 -0.032 0.000 1.008 212 R CA -0.557 55.528 56.100 -0.025 0.000 0.896 212 R CB 1.136 31.417 30.300 -0.032 0.000 1.187 212 R HN -0.207 nan 8.270 nan 0.000 0.440 213 I N 2.754 123.299 120.570 -0.042 0.000 2.385 213 I HA 0.333 4.503 4.170 0.000 0.000 0.294 213 I C -0.311 175.769 176.117 -0.061 0.000 0.988 213 I CA -0.827 60.447 61.300 -0.042 0.000 1.265 213 I CB 2.338 40.315 38.000 -0.037 0.000 1.388 213 I HN 0.693 nan 8.210 nan 0.000 0.480 214 T N 6.740 121.263 114.554 -0.052 0.000 2.812 214 T HA 0.629 4.979 4.350 0.000 0.000 0.282 214 T C -0.465 174.207 174.700 -0.046 0.000 0.990 214 T CA -0.342 61.724 62.100 -0.057 0.000 0.960 214 T CB 1.308 70.148 68.868 -0.047 0.000 0.948 214 T HN 0.158 nan 8.240 nan 0.000 0.438 215 I N 2.345 122.887 120.570 -0.047 0.000 2.569 215 I HA 0.406 4.576 4.170 0.000 0.000 0.296 215 I C 0.107 176.203 176.117 -0.036 0.000 1.028 215 I CA -0.628 60.647 61.300 -0.041 0.000 1.082 215 I CB 1.926 39.901 38.000 -0.042 0.000 1.264 215 I HN 0.394 nan 8.210 nan 0.000 0.429 216 E N 3.874 124.053 120.200 -0.035 0.000 2.141 216 E HA 0.380 4.730 4.350 0.000 0.000 0.259 216 E C -0.117 176.462 176.600 -0.034 0.000 0.883 216 E CA -0.437 55.944 56.400 -0.030 0.000 0.744 216 E CB 1.784 31.467 29.700 -0.027 0.000 1.150 216 E HN 0.812 nan 8.360 nan 0.000 0.420 217 G N 1.912 110.693 108.800 -0.032 0.000 2.474 217 G HA2 0.243 4.203 3.960 0.000 0.000 0.233 217 G HA3 0.243 4.203 3.960 0.000 0.000 0.233 217 G C 0.259 175.136 174.900 -0.038 0.000 1.278 217 G CA 0.015 45.094 45.100 -0.036 0.000 0.861 217 G HN 0.294 nan 8.290 nan 0.000 0.567 218 V N -0.783 119.104 119.914 -0.046 0.000 3.102 218 V HA 0.569 4.689 4.120 0.000 0.000 0.312 218 V C 0.902 176.964 176.094 -0.053 0.000 1.135 218 V CA -0.852 61.420 62.300 -0.048 0.000 1.022 218 V CB 2.047 33.838 31.823 -0.054 0.000 1.056 218 V HN 0.608 nan 8.190 nan 0.000 0.436 219 E N 1.646 121.816 120.200 -0.050 0.000 2.070 219 E HA -0.122 4.228 4.350 0.000 0.000 0.197 219 E C 0.608 177.167 176.600 -0.069 0.000 1.004 219 E CA 2.159 58.526 56.400 -0.054 0.000 0.805 219 E CB -0.045 29.627 29.700 -0.047 0.000 0.744 219 E HN 0.860 nan 8.360 nan 0.000 0.451 220 R N -1.691 118.766 120.500 -0.071 0.000 2.728 220 R HA 0.553 4.893 4.340 0.000 0.000 0.274 220 R C -1.066 175.183 176.300 -0.085 0.000 1.030 220 R CA -0.688 55.361 56.100 -0.085 0.000 0.876 220 R CB 0.764 31.014 30.300 -0.083 0.000 1.259 220 R HN -0.154 nan 8.270 nan 0.000 0.468 221 L N 1.035 122.200 121.223 -0.097 0.000 2.334 221 L HA 0.628 4.968 4.340 0.000 0.000 0.276 221 L C 0.737 177.548 176.870 -0.099 0.000 1.014 221 L CA -0.692 54.083 54.840 -0.109 0.000 0.815 221 L CB 1.955 43.933 42.059 -0.135 0.000 1.268 221 L HN 0.975 nan 8.230 nan 0.000 0.428 222 G N 1.185 109.926 108.800 -0.098 0.000 2.873 222 G HA2 0.597 4.557 3.960 0.000 0.000 0.170 222 G HA3 0.597 4.557 3.960 0.000 0.000 0.170 222 G C -0.014 174.837 174.900 -0.082 0.000 1.608 222 G CA 0.317 45.372 45.100 -0.076 0.000 1.084 222 G HN 0.755 nan 8.290 nan 0.000 0.563 223 G N -3.325 105.439 108.800 -0.059 0.000 3.086 223 G HA2 0.738 4.698 3.960 0.000 0.000 0.282 223 G HA3 0.738 4.698 3.960 0.000 0.000 0.282 223 G C -0.221 174.668 174.900 -0.018 0.000 1.343 223 G CA 0.133 45.206 45.100 -0.044 0.000 0.895 223 G HN 1.876 nan 8.290 nan 0.000 0.557 224 G N -2.518 106.299 108.800 0.028 0.000 2.334 224 G HA2 0.490 4.450 3.960 0.000 0.000 0.249 224 G HA3 0.490 4.450 3.960 0.000 0.000 0.249 224 G C -1.848 173.125 174.900 0.121 0.000 1.327 224 G CA 0.253 45.392 45.100 0.065 0.000 0.979 224 G HN 1.489 nan 8.290 nan 0.000 0.471 225 V N 0.310 120.309 119.914 0.142 0.000 2.638 225 V HA 0.766 4.886 4.120 0.000 0.000 0.306 225 V C -1.155 175.084 176.094 0.242 0.000 1.052 225 V CA -0.578 61.825 62.300 0.170 0.000 0.885 225 V CB 1.589 33.476 31.823 0.107 0.000 0.999 225 V HN 1.052 nan 8.190 nan 0.000 0.424 226 Y N 3.433 123.818 120.300 0.141 0.000 2.513 226 Y HA 0.649 5.199 4.550 0.000 0.000 0.340 226 Y C -0.404 175.546 175.900 0.082 0.000 1.055 226 Y CA -0.821 57.370 58.100 0.153 0.000 1.020 226 Y CB 1.921 40.593 38.460 0.352 0.000 1.301 226 Y HN 0.639 nan 8.280 nan 0.000 0.453 227 R N 4.924 125.230 120.500 -0.325 0.000 2.343 227 R HA 0.597 4.938 4.340 0.000 0.000 0.320 227 R C -1.527 174.738 176.300 -0.058 0.000 0.956 227 R CA -0.628 55.392 56.100 -0.133 0.000 0.836 227 R CB 1.097 31.297 30.300 -0.166 0.000 1.151 227 R HN 0.622 nan 8.270 nan 0.000 0.450 228 V N 6.452 126.416 119.914 0.084 0.000 2.673 228 V HA -0.036 4.084 4.120 0.000 0.000 0.303 228 V C 0.976 177.097 176.094 0.045 0.000 1.046 228 V CA 0.016 62.378 62.300 0.102 0.000 1.126 228 V CB 0.463 32.306 31.823 0.034 0.000 0.934 228 V HN 0.694 nan 8.190 nan 0.000 0.487 229 L N 6.136 127.396 121.223 0.061 0.000 2.467 229 L HA 0.431 4.771 4.340 0.000 0.000 0.270 229 L C -2.322 174.551 176.870 0.005 0.000 1.205 229 L CA -1.362 53.491 54.840 0.023 0.000 0.828 229 L CB 0.115 42.190 42.059 0.028 0.000 1.101 229 L HN 0.370 nan 8.230 nan 0.000 0.479 230 P HA -0.024 nan 4.420 nan 0.000 0.267 230 P C -1.123 176.174 177.300 -0.005 0.000 1.200 230 P CA 0.046 63.148 63.100 0.003 0.000 0.772 230 P CB 0.336 32.041 31.700 0.009 0.000 0.855 231 D N 2.742 123.139 120.400 -0.005 0.000 2.348 231 D HA -0.022 4.618 4.640 0.000 0.000 0.259 231 D C 1.358 177.648 176.300 -0.017 0.000 1.296 231 D CA -0.028 53.955 54.000 -0.029 0.000 0.931 231 D CB 0.419 41.190 40.800 -0.048 0.000 1.067 231 D HN 0.325 nan 8.370 nan 0.000 0.503 232 R N 3.587 124.067 120.500 -0.034 0.000 2.189 232 R HA -0.106 4.234 4.340 0.000 0.000 0.223 232 R C 1.176 177.457 176.300 -0.031 0.000 1.092 232 R CA 0.508 56.592 56.100 -0.027 0.000 0.989 232 R CB -0.055 30.215 30.300 -0.051 0.000 0.876 232 R HN 0.328 nan 8.270 nan 0.000 0.457 233 I N 1.613 122.148 120.570 -0.059 0.000 2.480 233 I HA -0.066 4.104 4.170 0.000 0.000 0.251 233 I C 2.459 178.560 176.117 -0.027 0.000 1.124 233 I CA 0.898 62.160 61.300 -0.062 0.000 1.444 233 I CB -1.072 36.866 38.000 -0.104 0.000 1.098 233 I HN 0.316 nan 8.210 nan 0.000 0.428 234 E N 0.937 121.108 120.200 -0.048 0.000 2.051 234 E HA -0.193 4.157 4.350 0.000 0.000 0.192 234 E C 2.003 178.723 176.600 0.200 0.000 0.991 234 E CA 1.962 58.399 56.400 0.063 0.000 0.799 234 E CB 0.197 29.955 29.700 0.097 0.000 0.748 234 E HN 0.362 nan 8.360 nan 0.000 0.449 235 T N -0.133 114.526 114.554 0.175 0.000 2.665 235 T HA -0.170 4.180 4.350 0.000 0.000 0.268 235 T C 1.740 176.540 174.700 0.168 0.000 1.035 235 T CA 1.385 63.606 62.100 0.201 0.000 1.151 235 T CB -0.706 68.230 68.868 0.113 0.000 0.862 235 T HN 0.409 nan 8.240 nan 0.000 0.438 236 G N 0.819 109.677 108.800 0.097 0.000 2.422 236 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 236 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 236 G C 1.716 176.656 174.900 0.067 0.000 1.146 236 G CA 1.395 46.554 45.100 0.097 0.000 0.769 236 G HN 0.460 nan 8.290 nan 0.000 0.547 237 T N 0.906 115.461 114.554 0.002 0.000 2.746 237 T HA -0.086 4.264 4.350 0.000 0.000 0.267 237 T C 2.024 176.593 174.700 -0.218 0.000 1.039 237 T CA 1.050 63.066 62.100 -0.140 0.000 1.142 237 T CB -0.343 68.395 68.868 -0.218 0.000 0.866 237 T HN 0.311 nan 8.240 nan 0.000 0.444 238 F N 0.679 120.664 119.950 0.057 0.000 2.325 238 F HA 0.151 4.678 4.527 0.000 0.000 0.299 238 F C 2.052 177.860 175.800 0.014 0.000 1.090 238 F CA 0.415 58.433 58.000 0.029 0.000 1.392 238 F CB -0.393 38.632 39.000 0.042 0.000 1.053 238 F HN 0.071 nan 8.300 nan 0.000 0.521 239 L N -0.826 120.502 121.223 0.175 0.000 2.093 239 L HA -0.169 4.171 4.340 0.000 0.000 0.208 239 L C 2.263 179.153 176.870 0.033 0.000 1.085 239 L CA 0.604 55.511 54.840 0.111 0.000 0.755 239 L CB -0.680 41.449 42.059 0.116 0.000 0.904 239 L HN -0.025 nan 8.230 nan 0.000 0.435 240 V N 0.029 119.928 119.914 -0.025 0.000 2.515 240 V HA -0.217 3.903 4.120 0.000 0.000 0.250 240 V C 2.745 178.782 176.094 -0.096 0.000 1.058 240 V CA 1.527 63.744 62.300 -0.138 0.000 1.064 240 V CB -0.760 30.928 31.823 -0.225 0.000 0.675 240 V HN 0.451 nan 8.190 nan 0.000 0.461 241 A N 0.163 122.955 122.820 -0.046 0.000 1.940 241 A HA -0.141 4.179 4.320 0.000 0.000 0.219 241 A C 2.385 179.968 177.584 -0.002 0.000 1.176 241 A CA 2.241 54.265 52.037 -0.021 0.000 0.631 241 A CB -0.614 18.416 19.000 0.050 0.000 0.814 241 A HN 0.564 nan 8.150 nan 0.000 0.446 242 A N -0.523 122.308 122.820 0.019 0.000 1.898 242 A HA 0.351 4.671 4.320 0.000 0.000 0.214 242 A C 2.451 180.025 177.584 -0.017 0.000 1.183 242 A CA 1.516 53.558 52.037 0.008 0.000 0.622 242 A CB -0.930 18.083 19.000 0.022 0.000 0.824 242 A HN 1.044 nan 8.150 nan 0.000 0.444 243 A N 0.479 123.282 122.820 -0.030 0.000 2.019 243 A HA -0.042 4.278 4.320 0.000 0.000 0.219 243 A C 1.869 179.419 177.584 -0.058 0.000 1.164 243 A CA 1.458 53.467 52.037 -0.046 0.000 0.644 243 A CB -0.740 18.216 19.000 -0.073 0.000 0.805 243 A HN 1.035 nan 8.150 nan 0.000 0.449 244 I N -3.363 117.168 120.570 -0.066 0.000 3.976 244 I HA 0.238 4.408 4.170 0.000 0.000 0.337 244 I C 0.828 176.921 176.117 -0.039 0.000 1.359 244 I CA 0.785 62.048 61.300 -0.061 0.000 1.098 244 I CB 0.488 38.440 38.000 -0.080 0.000 1.027 244 I HN 0.180 nan 8.210 nan 0.000 0.394 245 S N -0.629 115.053 115.700 -0.029 0.000 2.952 245 S HA 0.450 4.920 4.470 0.000 0.000 0.251 245 S C 1.313 175.905 174.600 -0.013 0.000 1.021 245 S CA 0.153 58.341 58.200 -0.020 0.000 1.067 245 S CB 0.329 63.517 63.200 -0.019 0.000 1.002 245 S HN 0.746 nan 8.310 nan 0.000 0.574 246 G N 0.704 109.497 108.800 -0.012 0.000 2.166 246 G HA2 -0.177 3.783 3.960 0.000 0.000 0.260 246 G HA3 -0.177 3.783 3.960 0.000 0.000 0.260 246 G C 0.638 175.530 174.900 -0.013 0.000 0.986 246 G CA 0.115 45.212 45.100 -0.005 0.000 0.683 246 G HN 1.166 nan 8.290 nan 0.000 0.527 247 G N -0.794 107.995 108.800 -0.018 0.000 2.621 247 G HA2 0.546 4.506 3.960 0.000 0.000 0.271 247 G HA3 0.546 4.506 3.960 0.000 0.000 0.271 247 G C -0.074 174.802 174.900 -0.040 0.000 1.236 247 G CA 0.221 45.308 45.100 -0.022 0.000 0.958 247 G HN 0.782 nan 8.290 nan 0.000 0.512 248 K N -0.934 119.444 120.400 -0.037 0.000 2.535 248 K HA 0.624 4.944 4.320 0.000 0.000 0.250 248 K C -1.641 174.944 176.600 -0.025 0.000 0.948 248 K CA -0.717 55.541 56.287 -0.050 0.000 0.796 248 K CB 1.815 34.275 32.500 -0.067 0.000 1.216 248 K HN 0.443 nan 8.250 nan 0.000 0.432 249 I N 3.300 123.865 120.570 -0.009 0.000 3.006 249 I HA 0.468 4.638 4.170 0.000 0.000 0.306 249 I C -1.699 174.432 176.117 0.023 0.000 1.250 249 I CA -1.057 60.245 61.300 0.003 0.000 0.996 249 I CB 2.410 40.425 38.000 0.027 0.000 1.261 249 I HN 0.425 nan 8.210 nan 0.000 0.442 250 V N 4.964 124.883 119.914 0.009 0.000 2.483 250 V HA 0.342 4.462 4.120 0.000 0.000 0.297 250 V C -0.697 175.426 176.094 0.050 0.000 1.027 250 V CA -0.581 61.745 62.300 0.043 0.000 0.855 250 V CB 1.410 33.213 31.823 -0.033 0.000 0.995 250 V HN 0.754 nan 8.190 nan 0.000 0.424 251 C N 6.331 125.703 119.300 0.119 0.000 2.265 251 C HA 0.591 5.051 4.460 0.000 0.000 0.332 251 C C 0.630 175.705 174.990 0.143 0.000 1.248 251 C CA -1.000 58.074 59.018 0.093 0.000 1.727 251 C CB -0.172 27.636 27.740 0.113 0.000 2.348 251 C HN 0.742 nan 8.230 nan 0.000 0.519 252 R N 2.528 123.077 120.500 0.082 0.000 2.596 252 R HA 0.276 4.616 4.340 0.000 0.000 0.267 252 R C 0.242 176.588 176.300 0.077 0.000 1.026 252 R CA -0.412 55.749 56.100 0.101 0.000 1.087 252 R CB 0.309 30.632 30.300 0.038 0.000 1.132 252 R HN 0.757 nan 8.270 nan 0.000 0.531 253 N N -1.068 117.682 118.700 0.083 0.000 2.725 253 N HA -0.199 4.541 4.740 0.000 0.000 0.251 253 N C -1.151 174.386 175.510 0.045 0.000 1.031 253 N CA 1.177 54.257 53.050 0.051 0.000 0.720 253 N CB -0.885 37.619 38.487 0.029 0.000 0.930 253 N HN 0.723 nan 8.380 nan 0.000 0.543 254 A N -0.233 122.620 122.820 0.054 0.000 2.346 254 A HA 0.759 5.079 4.320 0.000 0.000 0.313 254 A C -0.081 177.502 177.584 -0.003 0.000 1.140 254 A CA -0.503 51.554 52.037 0.034 0.000 0.826 254 A CB 1.490 20.522 19.000 0.054 0.000 1.332 254 A HN 0.188 nan 8.150 nan 0.000 0.457 255 Q N 0.392 120.184 119.800 -0.013 0.000 2.771 255 Q HA 0.310 4.650 4.340 0.000 0.000 0.247 255 Q C -2.230 173.748 176.000 -0.038 0.000 0.986 255 Q CA -1.829 53.954 55.803 -0.032 0.000 0.713 255 Q CB 1.376 30.103 28.738 -0.020 0.000 1.241 255 Q HN 0.440 nan 8.270 nan 0.000 0.488 256 P HA -0.235 nan 4.420 nan 0.000 0.218 256 P C 0.520 177.793 177.300 -0.044 0.000 1.154 256 P CA 1.671 64.726 63.100 -0.075 0.000 0.872 256 P CB 0.170 31.784 31.700 -0.143 0.000 0.790 257 D N -1.551 118.826 120.400 -0.039 0.000 2.392 257 D HA -0.094 4.546 4.640 0.000 0.000 0.228 257 D C 0.928 177.241 176.300 0.021 0.000 1.003 257 D CA 1.140 55.131 54.000 -0.014 0.000 0.917 257 D CB -1.413 39.378 40.800 -0.015 0.000 0.890 257 D HN 0.243 nan 8.370 nan 0.000 0.532 258 T N -3.043 111.525 114.554 0.024 0.000 3.069 258 T HA 0.255 4.605 4.350 0.000 0.000 0.252 258 T C 1.087 175.828 174.700 0.069 0.000 1.053 258 T CA -0.369 61.769 62.100 0.063 0.000 0.964 258 T CB -0.208 68.664 68.868 0.006 0.000 1.005 258 T HN 0.184 nan 8.240 nan 0.000 0.532 259 L N 0.759 121.998 121.223 0.026 0.000 3.366 259 L HA 0.367 4.708 4.340 0.000 0.000 0.304 259 L C 0.788 177.654 176.870 -0.007 0.000 1.292 259 L CA -0.297 54.544 54.840 0.001 0.000 1.012 259 L CB 0.535 42.594 42.059 -0.001 0.000 1.414 259 L HN -0.023 nan 8.230 nan 0.000 0.603 260 D N 1.595 121.990 120.400 -0.008 0.000 2.133 260 D HA -0.245 4.395 4.640 0.000 0.000 0.192 260 D C 2.133 178.428 176.300 -0.009 0.000 1.001 260 D CA 1.856 55.847 54.000 -0.015 0.000 0.844 260 D CB 0.209 40.991 40.800 -0.030 0.000 0.944 260 D HN 0.418 nan 8.370 nan 0.000 0.447 261 A N 0.615 123.420 122.820 -0.025 0.000 1.902 261 A HA -0.119 4.201 4.320 0.000 0.000 0.217 261 A C 2.603 180.206 177.584 0.033 0.000 1.181 261 A CA 1.269 53.311 52.037 0.007 0.000 0.623 261 A CB -0.727 18.272 19.000 -0.002 0.000 0.818 261 A HN 0.158 nan 8.150 nan 0.000 0.443 262 V N 0.259 120.138 119.914 -0.059 0.000 2.358 262 V HA -0.236 3.884 4.120 0.000 0.000 0.246 262 V C 2.559 178.723 176.094 0.118 0.000 1.047 262 V CA 1.877 64.156 62.300 -0.035 0.000 1.035 262 V CB -0.721 31.044 31.823 -0.098 0.000 0.658 262 V HN 0.562 nan 8.190 nan 0.000 0.452 263 L N -0.009 121.262 121.223 0.079 0.000 2.056 263 L HA -0.129 4.211 4.340 0.000 0.000 0.207 263 L C 2.772 179.702 176.870 0.101 0.000 1.078 263 L CA 1.505 56.402 54.840 0.095 0.000 0.749 263 L CB -0.925 41.164 42.059 0.050 0.000 0.901 263 L HN 0.359 nan 8.230 nan 0.000 0.433 264 A N 0.403 123.268 122.820 0.075 0.000 1.883 264 A HA -0.270 4.050 4.320 0.000 0.000 0.217 264 A C 2.323 179.963 177.584 0.094 0.000 1.186 264 A CA 2.110 54.188 52.037 0.068 0.000 0.624 264 A CB -0.456 18.571 19.000 0.044 0.000 0.822 264 A HN 0.206 nan 8.150 nan 0.000 0.444 265 K N -0.023 120.445 120.400 0.114 0.000 2.097 265 K HA -0.007 4.313 4.320 0.000 0.000 0.206 265 K C 1.734 178.492 176.600 0.264 0.000 1.049 265 K CA 1.350 57.713 56.287 0.127 0.000 0.933 265 K CB -0.580 31.932 32.500 0.020 0.000 0.717 265 K HN 0.497 nan 8.250 nan 0.000 0.442 266 L N -0.076 121.343 121.223 0.328 0.000 2.093 266 L HA -0.118 4.222 4.340 0.000 0.000 0.208 266 L C 2.464 179.435 176.870 0.169 0.000 1.085 266 L CA 1.173 56.193 54.840 0.300 0.000 0.755 266 L CB -0.289 41.928 42.059 0.263 0.000 0.904 266 L HN 0.159 nan 8.230 nan 0.000 0.435 267 R N 0.095 120.675 120.500 0.134 0.000 2.081 267 R HA -0.178 4.162 4.340 0.000 0.000 0.235 267 R C 2.112 178.465 176.300 0.089 0.000 1.131 267 R CA 1.399 57.557 56.100 0.096 0.000 0.960 267 R CB -0.261 30.085 30.300 0.077 0.000 0.856 267 R HN 0.438 nan 8.270 nan 0.000 0.436 268 E N 0.352 120.607 120.200 0.093 0.000 2.153 268 E HA -0.154 4.196 4.350 0.000 0.000 0.194 268 E C 1.721 178.370 176.600 0.082 0.000 0.988 268 E CA 1.079 57.525 56.400 0.075 0.000 0.811 268 E CB -0.029 29.710 29.700 0.065 0.000 0.746 268 E HN 0.346 nan 8.360 nan 0.000 0.466 269 A N 0.002 122.888 122.820 0.110 0.000 2.209 269 A HA 0.146 4.466 4.320 0.000 0.000 0.212 269 A C 1.743 179.368 177.584 0.069 0.000 1.158 269 A CA 1.001 53.094 52.037 0.094 0.000 0.742 269 A CB -0.305 18.762 19.000 0.110 0.000 0.790 269 A HN 0.360 nan 8.150 nan 0.000 0.472 270 G N -2.521 106.323 108.800 0.073 0.000 2.159 270 G HA2 0.146 4.106 3.960 0.000 0.000 0.227 270 G HA3 0.146 4.106 3.960 0.000 0.000 0.227 270 G C 0.315 175.261 174.900 0.076 0.000 0.986 270 G CA 0.134 45.275 45.100 0.069 0.000 0.651 270 G HN 1.539 nan 8.290 nan 0.000 0.523 271 A N 0.277 123.141 122.820 0.073 0.000 2.401 271 A HA 0.551 4.871 4.320 0.000 0.000 0.259 271 A C 0.181 177.809 177.584 0.073 0.000 1.103 271 A CA 0.508 52.582 52.037 0.062 0.000 0.789 271 A CB 0.552 19.589 19.000 0.062 0.000 1.035 271 A HN 0.504 nan 8.150 nan 0.000 0.491 272 D N 2.256 122.694 120.400 0.064 0.000 2.347 272 D HA 0.467 5.107 4.640 0.000 0.000 0.235 272 D C -0.629 175.711 176.300 0.067 0.000 1.149 272 D CA 0.179 54.233 54.000 0.091 0.000 0.850 272 D CB 0.110 41.002 40.800 0.154 0.000 1.061 272 D HN 0.347 nan 8.370 nan 0.000 0.487 273 I N 2.901 123.519 120.570 0.081 0.000 2.545 273 I HA 0.356 4.526 4.170 0.000 0.000 0.292 273 I C 0.053 176.225 176.117 0.092 0.000 1.040 273 I CA -0.752 60.599 61.300 0.085 0.000 1.068 273 I CB 2.005 40.050 38.000 0.074 0.000 1.251 273 I HN 0.266 nan 8.210 nan 0.000 0.424 274 E N 3.260 123.539 120.200 0.132 0.000 2.317 274 E HA 0.581 4.931 4.350 0.000 0.000 0.270 274 E C -1.132 175.486 176.600 0.030 0.000 0.885 274 E CA -0.767 55.714 56.400 0.136 0.000 0.760 274 E CB 2.739 32.597 29.700 0.263 0.000 1.227 274 E HN 0.657 nan 8.360 nan 0.000 0.434 275 T N -1.182 113.218 114.554 -0.256 0.000 2.916 275 T HA 0.822 5.172 4.350 0.000 0.000 0.292 275 T C 0.142 174.137 174.700 -1.175 0.000 1.055 275 T CA -0.744 60.919 62.100 -0.728 0.000 1.009 275 T CB 1.940 70.571 68.868 -0.394 0.000 1.118 275 T HN 0.495 nan 8.240 nan 0.000 0.497 276 G N -0.046 107.649 108.800 -1.843 0.000 3.211 276 G HA2 0.497 4.457 3.960 0.000 0.000 0.262 276 G HA3 0.497 4.457 3.960 0.000 0.000 0.262 276 G C 0.240 174.712 174.900 -0.714 0.000 1.352 276 G CA -0.517 43.789 45.100 -1.323 0.000 1.004 276 G HN 0.711 nan 8.290 nan 0.000 0.559 277 E N -0.353 119.639 120.200 -0.347 0.000 2.077 277 E HA -0.089 4.261 4.350 0.000 0.000 0.193 277 E C 1.044 177.552 176.600 -0.154 0.000 0.989 277 E CA 2.021 58.320 56.400 -0.168 0.000 0.800 277 E CB 0.182 29.859 29.700 -0.039 0.000 0.746 277 E HN 0.481 nan 8.360 nan 0.000 0.452 278 D N -1.297 119.033 120.400 -0.116 0.000 2.673 278 D HA 0.057 4.697 4.640 0.000 0.000 0.278 278 D C -0.326 176.031 176.300 0.095 0.000 1.393 278 D CA -0.505 53.492 54.000 -0.006 0.000 0.805 278 D CB -0.757 40.085 40.800 0.070 0.000 1.110 278 D HN 0.299 nan 8.370 nan 0.000 0.476 279 W N -0.141 121.159 121.300 0.001 0.000 3.074 279 W HA 0.691 5.351 4.660 0.000 0.000 0.332 279 W C -2.060 174.464 176.519 0.008 0.000 1.253 279 W CA -1.278 56.068 57.345 0.001 0.000 1.180 279 W CB 0.535 29.993 29.460 -0.004 0.000 1.445 279 W HN -0.313 nan 8.180 nan 0.000 0.573 280 I N 2.661 123.428 120.570 0.328 0.000 2.656 280 I HA 0.336 4.506 4.170 0.000 0.000 0.292 280 I C -0.297 176.056 176.117 0.393 0.000 1.144 280 I CA -0.680 60.737 61.300 0.195 0.000 1.038 280 I CB 2.619 40.666 38.000 0.080 0.000 1.244 280 I HN 0.471 nan 8.210 nan 0.000 0.420 281 S N 6.628 122.566 115.700 0.397 0.000 2.542 281 S HA 0.858 5.328 4.470 0.000 0.000 0.293 281 S C -1.102 173.591 174.600 0.155 0.000 1.089 281 S CA -0.742 57.618 58.200 0.268 0.000 0.961 281 S CB 2.362 65.722 63.200 0.267 0.000 1.062 281 S HN 0.648 nan 8.310 nan 0.000 0.483 282 L N 1.910 123.184 121.223 0.086 0.000 2.436 282 L HA 0.714 5.054 4.340 0.000 0.000 0.268 282 L C -2.030 174.826 176.870 -0.024 0.000 0.974 282 L CA -0.301 54.565 54.840 0.043 0.000 0.826 282 L CB 1.977 44.068 42.059 0.054 0.000 1.291 282 L HN 0.838 nan 8.230 nan 0.000 0.406 283 D N 4.780 125.127 120.400 -0.089 0.000 2.686 283 D HA 0.318 4.958 4.640 0.000 0.000 0.249 283 D C 0.254 176.379 176.300 -0.292 0.000 1.260 283 D CA -0.421 53.430 54.000 -0.247 0.000 0.910 283 D CB 1.727 42.272 40.800 -0.425 0.000 1.323 283 D HN 0.464 nan 8.370 nan 0.000 0.561 284 M N 1.591 121.081 119.600 -0.185 0.000 2.556 284 M HA 0.043 4.523 4.480 0.000 0.000 0.245 284 M C 0.135 176.439 176.300 0.008 0.000 1.128 284 M CA 0.197 55.458 55.300 -0.065 0.000 1.069 284 M CB -0.707 31.882 32.600 -0.020 0.000 1.469 284 M HN 0.479 nan 8.290 nan 0.000 0.494 285 H N 0.391 119.472 119.070 0.018 0.000 2.692 285 H HA -0.150 4.406 4.556 0.000 0.000 0.316 285 H C 1.331 176.665 175.328 0.010 0.000 1.176 285 H CA 0.887 56.944 56.048 0.014 0.000 1.142 285 H CB -2.186 27.585 29.762 0.016 0.000 1.475 285 H HN 0.672 nan 8.280 nan 0.000 0.423 286 G N -0.194 108.649 108.800 0.073 0.000 2.180 286 G HA2 -0.354 3.606 3.960 0.000 0.000 0.263 286 G HA3 -0.354 3.606 3.960 0.000 0.000 0.263 286 G C 0.390 175.318 174.900 0.046 0.000 0.989 286 G CA 1.045 46.175 45.100 0.049 0.000 0.692 286 G HN 0.554 nan 8.290 nan 0.000 0.526 287 K N -0.208 120.226 120.400 0.056 0.000 2.098 287 K HA 0.552 4.872 4.320 0.000 0.000 0.258 287 K C 0.860 177.476 176.600 0.028 0.000 0.973 287 K CA -0.887 55.427 56.287 0.046 0.000 0.898 287 K CB 1.151 33.689 32.500 0.063 0.000 1.057 287 K HN 0.177 nan 8.250 nan 0.000 0.447 288 R N 1.962 122.475 120.500 0.023 0.000 2.582 288 R HA 0.173 4.513 4.340 0.000 0.000 0.271 288 R C -2.083 174.227 176.300 0.016 0.000 1.078 288 R CA -1.466 54.642 56.100 0.013 0.000 1.127 288 R CB 0.261 30.569 30.300 0.013 0.000 1.038 288 R HN 0.440 nan 8.270 nan 0.000 0.500 289 P HA 0.107 nan 4.420 nan 0.000 0.277 289 P C -1.273 176.039 177.300 0.020 0.000 1.240 289 P CA -0.217 62.889 63.100 0.010 0.000 0.798 289 P CB 0.826 32.517 31.700 -0.014 0.000 0.979 290 K N 1.130 121.549 120.400 0.032 0.000 2.156 290 K HA 0.540 4.860 4.320 0.000 0.000 0.271 290 K C 0.272 176.895 176.600 0.038 0.000 0.995 290 K CA -0.728 55.580 56.287 0.035 0.000 0.890 290 K CB 1.127 33.650 32.500 0.038 0.000 1.073 290 K HN 0.477 nan 8.250 nan 0.000 0.454 291 A N 2.231 125.071 122.820 0.033 0.000 2.561 291 A HA 0.207 4.528 4.320 0.000 0.000 0.234 291 A C 0.275 177.881 177.584 0.037 0.000 1.055 291 A CA -0.307 51.750 52.037 0.032 0.000 0.756 291 A CB -0.167 18.846 19.000 0.023 0.000 0.986 291 A HN 0.564 nan 8.150 nan 0.000 0.505 292 V N -0.034 119.908 119.914 0.047 0.000 2.960 292 V HA 0.829 4.949 4.120 0.000 0.000 0.315 292 V C 0.039 176.129 176.094 -0.007 0.000 1.087 292 V CA -0.660 61.662 62.300 0.037 0.000 0.982 292 V CB 1.715 33.591 31.823 0.087 0.000 1.039 292 V HN 0.761 nan 8.190 nan 0.000 0.437 293 T N 2.343 116.873 114.554 -0.039 0.000 2.767 293 T HA 0.685 5.035 4.350 0.000 0.000 0.284 293 T C -0.395 174.218 174.700 -0.145 0.000 0.973 293 T CA -0.232 61.825 62.100 -0.071 0.000 0.996 293 T CB 1.207 70.043 68.868 -0.053 0.000 0.927 293 T HN 0.703 nan 8.240 nan 0.000 0.456 294 V N 4.647 124.442 119.914 -0.198 0.000 2.680 294 V HA 0.592 4.712 4.120 0.000 0.000 0.309 294 V C -0.204 175.735 176.094 -0.258 0.000 1.052 294 V CA -1.055 61.015 62.300 -0.383 0.000 0.908 294 V CB 2.134 33.578 31.823 -0.631 0.000 1.001 294 V HN 0.751 nan 8.190 nan 0.000 0.431 295 R N 1.882 122.231 120.500 -0.251 0.000 2.467 295 R HA 0.409 4.749 4.340 0.000 0.000 0.299 295 R C -0.225 176.054 176.300 -0.034 0.000 1.120 295 R CA -0.499 55.543 56.100 -0.097 0.000 0.940 295 R CB 1.793 32.063 30.300 -0.050 0.000 1.161 295 R HN 0.901 nan 8.270 nan 0.000 0.506 296 T N -0.133 114.435 114.554 0.023 0.000 2.930 296 T HA 0.591 4.941 4.350 0.000 0.000 0.306 296 T C 0.382 175.136 174.700 0.090 0.000 1.045 296 T CA -0.352 61.827 62.100 0.132 0.000 1.134 296 T CB 1.518 70.449 68.868 0.105 0.000 0.961 296 T HN 0.618 nan 8.240 nan 0.000 0.545 297 A N 3.445 126.323 122.820 0.096 0.000 2.557 297 A HA 0.796 5.116 4.320 0.000 0.000 0.292 297 A C -3.116 174.508 177.584 0.066 0.000 1.139 297 A CA -1.842 50.237 52.037 0.070 0.000 0.665 297 A CB 0.391 19.423 19.000 0.053 0.000 1.285 297 A HN 0.636 nan 8.150 nan 0.000 0.433 298 P HA 0.284 nan 4.420 nan 0.000 0.268 298 P C -0.471 176.871 177.300 0.069 0.000 1.205 298 P CA 0.369 63.514 63.100 0.076 0.000 0.771 298 P CB 0.172 31.913 31.700 0.069 0.000 0.858 299 H N 5.202 124.273 119.070 0.001 0.000 3.016 299 H HA -0.009 4.547 4.556 0.000 0.000 0.345 299 H C -1.098 174.228 175.328 -0.003 0.000 1.066 299 H CA -0.559 55.480 56.048 -0.014 0.000 1.390 299 H CB 0.244 29.994 29.762 -0.019 0.000 1.344 299 H HN 0.345 nan 8.280 nan 0.000 0.605 300 P HA 0.119 nan 4.420 nan 0.000 0.255 300 P C -0.394 176.700 177.300 -0.344 0.000 1.357 300 P CA 0.214 62.759 63.100 -0.926 0.000 0.839 300 P CB -0.109 31.181 31.700 -0.683 0.000 1.356 301 A N 0.406 123.136 122.820 -0.150 0.000 2.267 301 A HA 0.267 4.587 4.320 0.000 0.000 0.271 301 A C -0.209 177.383 177.584 0.014 0.000 1.131 301 A CA -0.591 51.425 52.037 -0.034 0.000 0.818 301 A CB -0.490 18.517 19.000 0.011 0.000 1.118 301 A HN 0.170 nan 8.150 nan 0.000 0.501 302 F N 1.784 121.683 119.950 -0.085 0.000 2.602 302 F HA 0.235 4.762 4.527 0.000 0.000 0.385 302 F C -1.582 174.170 175.800 -0.080 0.000 1.063 302 F CA -1.262 56.673 58.000 -0.109 0.000 1.233 302 F CB 0.557 39.458 39.000 -0.165 0.000 1.067 302 F HN 0.268 nan 8.300 nan 0.000 0.564 303 P HA -0.020 nan 4.420 nan 0.000 0.276 303 P C 0.295 177.490 177.300 -0.175 0.000 1.235 303 P CA -0.069 62.879 63.100 -0.253 0.000 0.772 303 P CB 1.558 33.082 31.700 -0.293 0.000 0.871 304 T N 1.500 115.980 114.554 -0.124 0.000 2.833 304 T HA -0.133 4.217 4.350 0.000 0.000 0.269 304 T C 1.005 175.579 174.700 -0.211 0.000 1.054 304 T CA 1.598 63.588 62.100 -0.184 0.000 1.135 304 T CB -0.647 67.942 68.868 -0.465 0.000 0.869 304 T HN 0.304 nan 8.240 nan 0.000 0.466 305 D N 0.321 120.592 120.400 -0.216 0.000 2.378 305 D HA 0.044 4.684 4.640 0.000 0.000 0.222 305 D C 1.402 177.648 176.300 -0.090 0.000 0.980 305 D CA 0.527 54.431 54.000 -0.160 0.000 0.907 305 D CB 0.032 40.751 40.800 -0.135 0.000 0.899 305 D HN 0.384 nan 8.370 nan 0.000 0.527 306 M N -0.270 119.280 119.600 -0.082 0.000 2.333 306 M HA 0.056 4.536 4.480 0.000 0.000 0.257 306 M C 1.659 178.132 176.300 0.288 0.000 1.078 306 M CA 0.146 55.466 55.300 0.034 0.000 1.005 306 M CB 0.294 32.765 32.600 -0.216 0.000 1.444 306 M HN -0.005 nan 8.290 nan 0.000 0.496 307 Q N 1.010 120.951 119.800 0.234 0.000 2.061 307 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 307 Q C 1.774 177.895 176.000 0.202 0.000 0.984 307 Q CA 2.206 58.179 55.803 0.284 0.000 0.846 307 Q CB 0.026 28.845 28.738 0.135 0.000 0.902 307 Q HN 0.460 nan 8.270 nan 0.000 0.421 308 A N 0.643 123.457 122.820 -0.009 0.000 1.908 308 A HA -0.269 4.051 4.320 0.000 0.000 0.218 308 A C 2.011 179.541 177.584 -0.090 0.000 1.181 308 A CA 1.956 53.806 52.037 -0.310 0.000 0.627 308 A CB -0.601 18.029 19.000 -0.616 0.000 0.818 308 A HN 0.508 nan 8.150 nan 0.000 0.445 309 Q N -1.354 118.454 119.800 0.013 0.000 2.124 309 Q HA -0.064 4.276 4.340 0.000 0.000 0.202 309 Q C 1.620 177.646 176.000 0.044 0.000 0.977 309 Q CA 1.595 57.408 55.803 0.017 0.000 0.850 309 Q CB -0.422 28.330 28.738 0.023 0.000 0.901 309 Q HN 0.691 nan 8.270 nan 0.000 0.429 310 F N -0.095 119.920 119.950 0.108 0.000 2.558 310 F HA -0.069 4.458 4.527 0.000 0.000 0.298 310 F C 2.069 177.914 175.800 0.075 0.000 1.119 310 F CA 0.960 59.026 58.000 0.109 0.000 1.451 310 F CB -0.116 38.977 39.000 0.154 0.000 1.091 310 F HN 0.015 nan 8.300 nan 0.000 0.563 311 T N 0.415 115.122 114.554 0.254 0.000 2.737 311 T HA -0.169 4.181 4.350 0.000 0.000 0.265 311 T C 2.041 176.819 174.700 0.130 0.000 1.038 311 T CA 1.273 63.507 62.100 0.223 0.000 1.144 311 T CB -0.486 68.627 68.868 0.410 0.000 0.866 311 T HN 0.159 nan 8.240 nan 0.000 0.434 312 L N 1.435 122.717 121.223 0.098 0.000 2.012 312 L HA 0.017 4.357 4.340 0.000 0.000 0.210 312 L C 2.206 179.064 176.870 -0.021 0.000 1.073 312 L CA 1.573 56.433 54.840 0.032 0.000 0.748 312 L CB -0.935 41.121 42.059 -0.006 0.000 0.891 312 L HN 0.274 nan 8.230 nan 0.000 0.431 313 L N -0.349 120.828 121.223 -0.076 0.000 2.013 313 L HA -0.282 4.058 4.340 0.000 0.000 0.212 313 L C 2.287 179.132 176.870 -0.043 0.000 1.073 313 L CA 1.922 56.691 54.840 -0.119 0.000 0.753 313 L CB -0.578 41.306 42.059 -0.292 0.000 0.890 313 L HN 0.406 nan 8.230 nan 0.000 0.432 314 N N -0.029 118.673 118.700 0.002 0.000 2.166 314 N HA -0.163 4.577 4.740 0.000 0.000 0.186 314 N C 1.822 177.333 175.510 0.002 0.000 1.019 314 N CA 1.431 54.489 53.050 0.013 0.000 0.856 314 N CB -0.388 38.112 38.487 0.022 0.000 0.993 314 N HN 0.376 nan 8.380 nan 0.000 0.426 315 L N 0.363 121.587 121.223 0.002 0.000 2.362 315 L HA -0.059 4.281 4.340 0.000 0.000 0.219 315 L C 1.556 178.418 176.870 -0.013 0.000 1.134 315 L CA 0.595 55.433 54.840 -0.004 0.000 0.807 315 L CB -0.088 41.970 42.059 -0.002 0.000 0.927 315 L HN 0.098 nan 8.230 nan 0.000 0.447 316 V N -4.962 114.943 119.914 -0.015 0.000 3.380 316 V HA 0.496 4.616 4.120 0.000 0.000 0.307 316 V C 0.935 177.024 176.094 -0.008 0.000 1.434 316 V CA -0.123 62.166 62.300 -0.018 0.000 1.075 316 V CB -0.326 31.480 31.823 -0.028 0.000 0.954 316 V HN 0.107 nan 8.190 nan 0.000 0.444 317 A N 0.965 123.784 122.820 -0.001 0.000 2.249 317 A HA 0.674 4.994 4.320 0.000 0.000 0.281 317 A C 0.116 177.713 177.584 0.022 0.000 1.127 317 A CA -0.276 51.766 52.037 0.008 0.000 0.833 317 A CB 0.523 19.529 19.000 0.011 0.000 1.140 317 A HN 0.493 nan 8.150 nan 0.000 0.502 318 E N -0.579 119.636 120.200 0.025 0.000 2.089 318 E HA 0.489 4.839 4.350 0.000 0.000 0.284 318 E C 0.353 176.976 176.600 0.038 0.000 1.023 318 E CA 1.095 57.514 56.400 0.032 0.000 0.819 318 E CB -0.068 29.649 29.700 0.028 0.000 1.076 318 E HN 1.601 nan 8.360 nan 0.000 0.396 319 G N 2.632 111.463 108.800 0.052 0.000 2.466 319 G HA2 -0.116 3.844 3.960 0.000 0.000 0.316 319 G HA3 -0.116 3.844 3.960 0.000 0.000 0.316 319 G C -0.571 174.374 174.900 0.076 0.000 1.270 319 G CA -0.462 44.675 45.100 0.061 0.000 0.982 319 G HN 0.573 nan 8.290 nan 0.000 0.506 320 T N 0.262 114.859 114.554 0.071 0.000 2.855 320 T HA 0.768 5.118 4.350 0.000 0.000 0.281 320 T C 0.388 175.076 174.700 -0.020 0.000 1.007 320 T CA 0.477 62.598 62.100 0.035 0.000 1.009 320 T CB 1.632 70.570 68.868 0.116 0.000 0.983 320 T HN 1.854 nan 8.240 nan 0.000 0.455 321 G N 0.995 109.749 108.800 -0.076 0.000 2.719 321 G HA2 0.589 4.549 3.960 0.000 0.000 0.298 321 G HA3 0.589 4.549 3.960 0.000 0.000 0.298 321 G C -1.546 173.298 174.900 -0.094 0.000 1.411 321 G CA -0.453 44.612 45.100 -0.058 0.000 0.991 321 G HN 0.690 nan 8.290 nan 0.000 0.509 322 V N 2.964 122.831 119.914 -0.078 0.000 2.483 322 V HA 0.470 4.590 4.120 0.000 0.000 0.295 322 V C -0.302 175.753 176.094 -0.065 0.000 1.035 322 V CA -0.893 61.353 62.300 -0.089 0.000 0.896 322 V CB 1.686 33.462 31.823 -0.078 0.000 0.986 322 V HN 0.592 nan 8.190 nan 0.000 0.447 323 I N 3.539 124.079 120.570 -0.050 0.000 2.330 323 I HA 0.323 4.493 4.170 0.000 0.000 0.286 323 I C 0.422 176.584 176.117 0.074 0.000 1.025 323 I CA 0.107 61.413 61.300 0.008 0.000 1.197 323 I CB 1.109 39.173 38.000 0.106 0.000 1.358 323 I HN 0.543 nan 8.210 nan 0.000 0.467 324 T N 5.258 119.840 114.554 0.048 0.000 2.882 324 T HA 0.265 4.615 4.350 0.000 0.000 0.287 324 T C 0.114 174.896 174.700 0.136 0.000 0.992 324 T CA -0.335 61.824 62.100 0.098 0.000 1.076 324 T CB 1.496 70.389 68.868 0.041 0.000 0.961 324 T HN 0.432 nan 8.240 nan 0.000 0.490 325 E N 1.309 121.629 120.200 0.199 0.000 2.149 325 E HA 0.292 4.642 4.350 0.000 0.000 0.255 325 E C 1.040 177.706 176.600 0.110 0.000 0.888 325 E CA -0.448 56.032 56.400 0.133 0.000 0.742 325 E CB 0.572 30.324 29.700 0.087 0.000 1.164 325 E HN 0.699 nan 8.360 nan 0.000 0.422 326 T N 1.782 116.388 114.554 0.087 0.000 3.067 326 T HA 0.111 4.461 4.350 0.000 0.000 0.261 326 T C 1.341 176.101 174.700 0.101 0.000 1.110 326 T CA 0.404 62.553 62.100 0.081 0.000 1.113 326 T CB -0.101 68.805 68.868 0.063 0.000 0.917 326 T HN 0.362 nan 8.240 nan 0.000 0.499 327 I N -0.263 120.383 120.570 0.126 0.000 6.419 327 I HA 0.250 4.420 4.170 0.000 0.000 0.208 327 I C 0.349 176.641 176.117 0.292 0.000 0.866 327 I CA -0.984 60.446 61.300 0.215 0.000 1.629 327 I CB -0.412 37.729 38.000 0.235 0.000 1.340 327 I HN 0.004 nan 8.210 nan 0.000 0.452 328 F N 2.935 122.873 119.950 -0.019 0.000 2.473 328 F HA -0.081 4.446 4.527 0.000 0.000 0.405 328 F C 1.683 177.451 175.800 -0.053 0.000 0.988 328 F CA 0.212 58.187 58.000 -0.041 0.000 1.096 328 F CB -1.095 37.864 39.000 -0.069 0.000 0.944 328 F HN 0.317 nan 8.300 nan 0.000 0.530 329 E N 2.330 122.594 120.200 0.107 0.000 2.026 329 E HA -0.259 4.091 4.350 0.000 0.000 0.206 329 E C 0.573 177.211 176.600 0.063 0.000 1.028 329 E CA 1.238 57.686 56.400 0.079 0.000 0.845 329 E CB -0.015 29.714 29.700 0.048 0.000 0.772 329 E HN 0.523 nan 8.360 nan 0.000 0.462 330 N N 0.089 118.816 118.700 0.044 0.000 2.518 330 N HA 0.141 4.881 4.740 0.000 0.000 0.283 330 N C 0.251 175.727 175.510 -0.055 0.000 1.119 330 N CA 0.251 53.311 53.050 0.017 0.000 0.983 330 N CB 1.681 40.192 38.487 0.040 0.000 1.139 330 N HN 0.048 nan 8.380 nan 0.000 0.465 331 R N 1.378 121.740 120.500 -0.230 0.000 2.526 331 R HA 0.089 4.430 4.340 0.000 0.000 0.067 331 R C -1.144 174.941 176.300 -0.358 0.000 0.504 331 R CA -0.018 55.918 56.100 -0.274 0.000 0.732 331 R CB -0.958 29.149 30.300 -0.321 0.000 0.925 331 R HN 0.464 nan 8.270 nan 0.000 0.574 332 F N 0.336 120.335 119.950 0.082 0.000 2.772 332 F HA 0.253 4.780 4.527 0.000 0.000 0.302 332 F C 1.247 176.946 175.800 -0.168 0.000 1.136 332 F CA -0.580 57.367 58.000 -0.088 0.000 1.322 332 F CB 0.632 39.551 39.000 -0.134 0.000 0.967 332 F HN -0.066 nan 8.300 nan 0.000 0.513 333 M N 0.159 119.833 119.600 0.123 0.000 2.530 333 M HA -0.166 4.314 4.480 0.000 0.000 0.261 333 M C 2.337 178.683 176.300 0.076 0.000 1.067 333 M CA 1.344 56.696 55.300 0.087 0.000 1.071 333 M CB -1.422 31.229 32.600 0.084 0.000 1.405 333 M HN 0.409 nan 8.290 nan 0.000 0.478 334 H N -1.166 117.952 119.070 0.080 0.000 2.448 334 H HA 0.127 4.683 4.556 0.000 0.000 0.292 334 H C 1.977 177.346 175.328 0.068 0.000 1.035 334 H CA 0.829 56.912 56.048 0.059 0.000 1.349 334 H CB -1.256 28.535 29.762 0.049 0.000 1.425 334 H HN 0.197 nan 8.280 nan 0.000 0.539 335 V N 2.610 122.275 119.914 -0.414 0.000 2.233 335 V HA -0.241 3.879 4.120 0.000 0.000 0.252 335 V C -0.182 175.876 176.094 -0.060 0.000 1.063 335 V CA 2.641 64.815 62.300 -0.209 0.000 1.032 335 V CB -1.766 29.934 31.823 -0.205 0.000 0.645 335 V HN 0.396 nan 8.190 nan 0.000 0.446 336 P HA -0.151 nan 4.420 nan 0.000 0.216 336 P C 1.668 178.975 177.300 0.013 0.000 1.153 336 P CA 1.410 64.509 63.100 -0.002 0.000 0.858 336 P CB -0.079 31.626 31.700 0.008 0.000 0.789 337 E N -0.638 119.577 120.200 0.026 0.000 2.110 337 E HA -0.116 4.234 4.350 0.000 0.000 0.193 337 E C 2.101 178.721 176.600 0.034 0.000 0.988 337 E CA 1.001 57.423 56.400 0.038 0.000 0.804 337 E CB -0.788 28.948 29.700 0.059 0.000 0.745 337 E HN 0.342 nan 8.360 nan 0.000 0.458 338 L N 0.335 121.580 121.223 0.036 0.000 2.156 338 L HA -0.060 4.280 4.340 0.000 0.000 0.208 338 L C 2.505 179.378 176.870 0.005 0.000 1.095 338 L CA 0.485 55.342 54.840 0.028 0.000 0.770 338 L CB -0.263 41.824 42.059 0.047 0.000 0.914 338 L HN 0.068 nan 8.230 nan 0.000 0.439 339 I N -0.307 120.267 120.570 0.006 0.000 2.226 339 I HA -0.312 3.858 4.170 0.000 0.000 0.245 339 I C 2.702 178.825 176.117 0.010 0.000 1.100 339 I CA 1.143 62.449 61.300 0.010 0.000 1.374 339 I CB -0.204 37.810 38.000 0.023 0.000 1.057 339 I HN 0.194 nan 8.210 nan 0.000 0.413 340 R N 0.538 121.046 120.500 0.014 0.000 2.159 340 R HA -0.084 4.256 4.340 0.000 0.000 0.237 340 R C 2.002 178.306 176.300 0.007 0.000 1.131 340 R CA 1.230 57.339 56.100 0.015 0.000 0.982 340 R CB -0.051 30.260 30.300 0.018 0.000 0.868 340 R HN 0.318 nan 8.270 nan 0.000 0.453 341 M N -1.390 118.210 119.600 -0.000 0.000 2.561 341 M HA 0.182 4.662 4.480 0.000 0.000 0.238 341 M C 0.690 176.971 176.300 -0.031 0.000 1.131 341 M CA 0.768 56.062 55.300 -0.009 0.000 1.046 341 M CB 1.151 33.747 32.600 -0.006 0.000 1.532 341 M HN 0.428 nan 8.290 nan 0.000 0.497 342 G N 0.473 109.248 108.800 -0.041 0.000 2.163 342 G HA2 -0.137 3.823 3.960 0.000 0.000 0.213 342 G HA3 -0.137 3.823 3.960 0.000 0.000 0.213 342 G C 0.086 174.850 174.900 -0.227 0.000 0.991 342 G CA -0.111 44.934 45.100 -0.091 0.000 0.653 342 G HN 0.633 nan 8.290 nan 0.000 0.518 343 A N 0.576 123.302 122.820 -0.157 0.000 2.371 343 A HA 0.662 4.982 4.320 0.000 0.000 0.257 343 A C 0.018 177.523 177.584 -0.132 0.000 1.089 343 A CA -0.247 51.678 52.037 -0.188 0.000 0.794 343 A CB 0.277 19.238 19.000 -0.065 0.000 1.029 343 A HN 0.455 nan 8.150 nan 0.000 0.488 344 H N 0.541 119.640 119.070 0.049 0.000 2.581 344 H HA 0.668 5.224 4.556 0.000 0.000 0.308 344 H C -0.007 175.383 175.328 0.104 0.000 1.040 344 H CA 0.210 56.307 56.048 0.083 0.000 1.231 344 H CB 0.997 30.824 29.762 0.108 0.000 1.396 344 H HN 0.884 nan 8.280 nan 0.000 0.467 345 A N 2.876 125.803 122.820 0.178 0.000 2.606 345 A HA 0.651 4.971 4.320 0.000 0.000 0.293 345 A C -1.065 176.531 177.584 0.020 0.000 1.082 345 A CA -0.852 51.215 52.037 0.051 0.000 0.685 345 A CB 1.863 20.840 19.000 -0.038 0.000 1.284 345 A HN 0.528 nan 8.150 nan 0.000 0.408 346 E N 0.341 120.513 120.200 -0.046 0.000 2.248 346 E HA 0.607 4.957 4.350 0.000 0.000 0.267 346 E C -1.168 175.343 176.600 -0.147 0.000 0.877 346 E CA -0.238 56.128 56.400 -0.057 0.000 0.759 346 E CB 2.157 31.852 29.700 -0.009 0.000 1.182 346 E HN 0.533 nan 8.360 nan 0.000 0.418 347 I N 2.053 122.533 120.570 -0.150 0.000 2.331 347 I HA 0.289 4.459 4.170 0.000 0.000 0.292 347 I C -0.234 175.800 176.117 -0.138 0.000 0.998 347 I CA -0.434 60.729 61.300 -0.229 0.000 1.267 347 I CB 1.312 39.197 38.000 -0.192 0.000 1.386 347 I HN 0.462 nan 8.210 nan 0.000 0.476 348 E N 4.764 124.875 120.200 -0.148 0.000 2.873 348 E HA 0.389 4.739 4.350 0.000 0.000 0.232 348 E C -0.483 176.093 176.600 -0.041 0.000 1.123 348 E CA 0.030 56.387 56.400 -0.072 0.000 0.809 348 E CB 0.707 30.369 29.700 -0.063 0.000 1.366 348 E HN 0.738 nan 8.360 nan 0.000 0.400 349 S N 1.795 117.494 115.700 -0.002 0.000 4.080 349 S HA -0.326 4.144 4.470 0.000 0.000 0.627 349 S C 0.599 175.272 174.600 0.123 0.000 1.977 349 S CA 0.905 59.135 58.200 0.050 0.000 4.141 349 S CB -1.073 62.151 63.200 0.041 0.000 0.213 349 S HN 0.788 nan 8.310 nan 0.000 0.596 350 N N 1.284 120.075 118.700 0.153 0.000 2.410 350 N HA 0.376 5.116 4.740 0.000 0.000 0.231 350 N C -0.312 175.385 175.510 0.311 0.000 1.172 350 N CA 0.218 53.441 53.050 0.289 0.000 0.849 350 N CB 0.422 39.021 38.487 0.187 0.000 1.116 350 N HN 0.390 nan 8.380 nan 0.000 0.485 351 T N 0.133 114.724 114.554 0.060 0.000 2.903 351 T HA 0.380 4.730 4.350 0.000 0.000 0.299 351 T C -1.596 172.775 174.700 -0.548 0.000 1.093 351 T CA -0.674 61.342 62.100 -0.141 0.000 1.002 351 T CB 2.415 71.240 68.868 -0.073 0.000 1.127 351 T HN -0.019 nan 8.240 nan 0.000 0.488 352 V N 4.552 124.139 119.914 -0.545 0.000 2.447 352 V HA 0.594 4.714 4.120 0.000 0.000 0.292 352 V C -1.275 174.645 176.094 -0.290 0.000 1.021 352 V CA -0.786 61.186 62.300 -0.548 0.000 0.850 352 V CB 0.921 32.298 31.823 -0.744 0.000 1.005 352 V HN 0.788 nan 8.190 nan 0.000 0.426 353 I N 7.383 127.804 120.570 -0.248 0.000 2.379 353 I HA 0.349 4.519 4.170 0.000 0.000 0.290 353 I C 0.305 176.199 176.117 -0.372 0.000 1.063 353 I CA 0.503 61.646 61.300 -0.262 0.000 1.351 353 I CB 0.481 38.355 38.000 -0.209 0.000 1.410 353 I HN 0.546 nan 8.210 nan 0.000 0.505 354 C N 6.100 125.180 119.300 -0.367 0.000 2.341 354 C HA 0.453 4.914 4.460 0.000 0.000 0.338 354 C C -0.068 174.666 174.990 -0.427 0.000 1.257 354 C CA -0.667 58.164 59.018 -0.312 0.000 1.883 354 C CB 0.055 27.718 27.740 -0.128 0.000 2.334 354 C HN 0.593 nan 8.230 nan 0.000 0.524 355 H N 1.484 120.577 119.070 0.039 0.000 2.792 355 H HA 0.304 4.860 4.556 0.000 0.000 0.298 355 H C 0.532 175.897 175.328 0.062 0.000 1.042 355 H CA -0.038 56.045 56.048 0.059 0.000 1.300 355 H CB 1.113 30.928 29.762 0.089 0.000 1.431 355 H HN 0.941 nan 8.280 nan 0.000 0.496 356 G N 2.203 111.074 108.800 0.117 0.000 2.353 356 G HA2 0.287 4.247 3.960 0.000 0.000 0.239 356 G HA3 0.287 4.247 3.960 0.000 0.000 0.239 356 G C 0.541 175.483 174.900 0.069 0.000 1.295 356 G CA -0.144 44.995 45.100 0.065 0.000 0.884 356 G HN 0.436 nan 8.290 nan 0.000 0.537 357 V N 0.302 120.223 119.914 0.013 0.000 3.096 357 V HA 0.622 4.742 4.120 0.000 0.000 0.319 357 V C 1.037 177.127 176.094 -0.007 0.000 1.103 357 V CA -0.462 61.834 62.300 -0.005 0.000 1.016 357 V CB 1.948 33.703 31.823 -0.114 0.000 1.090 357 V HN 0.807 nan 8.190 nan 0.000 0.449 358 E N 0.319 120.518 120.200 -0.002 0.000 2.170 358 E HA 0.125 4.475 4.350 0.000 0.000 0.191 358 E C 0.402 176.994 176.600 -0.012 0.000 0.981 358 E CA 0.722 57.121 56.400 -0.001 0.000 0.830 358 E CB 0.342 30.046 29.700 0.007 0.000 0.775 358 E HN 0.608 nan 8.360 nan 0.000 0.470 359 K N 0.560 120.948 120.400 -0.021 0.000 2.535 359 K HA 0.319 4.639 4.320 0.000 0.000 0.251 359 K C -1.180 175.397 176.600 -0.039 0.000 0.942 359 K CA -0.536 55.737 56.287 -0.024 0.000 0.798 359 K CB 1.821 34.313 32.500 -0.014 0.000 1.267 359 K HN 0.062 nan 8.250 nan 0.000 0.434 360 L N 1.019 122.220 121.223 -0.038 0.000 2.416 360 L HA 0.453 4.793 4.340 0.000 0.000 0.262 360 L C 0.333 177.187 176.870 -0.028 0.000 1.093 360 L CA -0.608 54.206 54.840 -0.043 0.000 0.801 360 L CB 1.560 43.596 42.059 -0.038 0.000 1.191 360 L HN 0.476 nan 8.230 nan 0.000 0.459 361 S N -0.338 115.347 115.700 -0.024 0.000 2.501 361 S HA 0.501 4.971 4.470 0.000 0.000 0.301 361 S C 0.132 174.729 174.600 -0.006 0.000 1.096 361 S CA -0.692 57.501 58.200 -0.012 0.000 1.063 361 S CB 1.756 64.951 63.200 -0.009 0.000 1.042 361 S HN 0.770 nan 8.310 nan 0.000 0.494 362 G N 1.164 109.963 108.800 -0.002 0.000 2.484 362 G HA2 0.500 4.460 3.960 0.000 0.000 0.235 362 G HA3 0.500 4.460 3.960 0.000 0.000 0.235 362 G C -0.205 174.700 174.900 0.008 0.000 1.282 362 G CA 0.243 45.345 45.100 0.003 0.000 0.857 362 G HN 1.026 nan 8.290 nan 0.000 0.571 363 A N 1.429 124.257 122.820 0.012 0.000 2.540 363 A HA 0.657 4.977 4.320 0.000 0.000 0.291 363 A C -0.705 176.892 177.584 0.021 0.000 1.083 363 A CA -0.726 51.320 52.037 0.016 0.000 0.650 363 A CB 0.875 19.883 19.000 0.014 0.000 1.292 363 A HN 0.616 nan 8.150 nan 0.000 0.435 364 Q N 0.607 120.421 119.800 0.023 0.000 2.322 364 Q HA 0.512 4.852 4.340 0.000 0.000 0.256 364 Q C -0.444 175.573 176.000 0.029 0.000 0.960 364 Q CA -0.500 55.319 55.803 0.027 0.000 0.934 364 Q CB 1.517 30.271 28.738 0.026 0.000 1.200 364 Q HN 1.005 nan 8.270 nan 0.000 0.435 365 V N 0.066 120.000 119.914 0.034 0.000 3.040 365 V HA 0.822 4.942 4.120 0.000 0.000 0.312 365 V C -0.746 175.372 176.094 0.040 0.000 1.115 365 V CA -1.003 61.318 62.300 0.036 0.000 0.998 365 V CB 2.604 34.449 31.823 0.037 0.000 1.042 365 V HN 0.766 nan 8.190 nan 0.000 0.433 366 M N 2.273 121.897 119.600 0.041 0.000 2.471 366 M HA 0.868 5.348 4.480 0.000 0.000 0.284 366 M C -1.859 174.463 176.300 0.037 0.000 1.203 366 M CA -0.108 55.216 55.300 0.041 0.000 0.915 366 M CB 1.914 34.542 32.600 0.046 0.000 1.734 366 M HN 1.662 nan 8.290 nan 0.000 0.485 367 A N 1.820 124.653 122.820 0.022 0.000 2.517 367 A HA 0.581 4.901 4.320 0.000 0.000 0.297 367 A C 0.325 177.851 177.584 -0.097 0.000 1.050 367 A CA 0.189 52.221 52.037 -0.007 0.000 0.694 367 A CB 1.041 20.049 19.000 0.013 0.000 1.277 367 A HN 0.993 nan 8.150 nan 0.000 0.400 368 T N -0.966 113.477 114.554 -0.185 0.000 2.896 368 T HA 0.006 4.356 4.350 0.000 0.000 0.263 368 T C 0.581 174.881 174.700 -0.667 0.000 1.050 368 T CA 1.386 63.151 62.100 -0.558 0.000 1.140 368 T CB -0.510 68.159 68.868 -0.331 0.000 0.877 368 T HN 0.689 nan 8.240 nan 0.000 0.457 369 D N 0.883 121.117 120.400 -0.276 0.000 2.425 369 D HA 0.119 4.759 4.640 0.000 0.000 0.247 369 D C 1.191 177.413 176.300 -0.130 0.000 1.147 369 D CA -0.392 53.508 54.000 -0.167 0.000 0.879 369 D CB 0.772 41.533 40.800 -0.064 0.000 1.179 369 D HN 0.076 nan 8.370 nan 0.000 0.456 370 L N 5.057 126.244 121.223 -0.061 0.000 1.978 370 L HA -0.228 4.112 4.340 0.000 0.000 0.218 370 L C 1.963 178.867 176.870 0.056 0.000 1.075 370 L CA 1.817 56.684 54.840 0.045 0.000 0.767 370 L CB -0.507 41.615 42.059 0.105 0.000 0.890 370 L HN 0.468 nan 8.230 nan 0.000 0.434 371 R N 0.182 120.703 120.500 0.035 0.000 2.075 371 R HA 0.008 4.348 4.340 0.000 0.000 0.232 371 R C 2.256 178.497 176.300 -0.098 0.000 1.126 371 R CA 1.389 57.492 56.100 0.006 0.000 0.963 371 R CB -1.662 28.622 30.300 -0.026 0.000 0.858 371 R HN 0.575 nan 8.270 nan 0.000 0.435 372 A N 0.537 123.278 122.820 -0.130 0.000 1.902 372 A HA -0.158 4.162 4.320 0.000 0.000 0.217 372 A C 2.452 179.977 177.584 -0.097 0.000 1.181 372 A CA 1.958 53.884 52.037 -0.185 0.000 0.623 372 A CB -0.662 18.289 19.000 -0.082 0.000 0.818 372 A HN 0.328 nan 8.150 nan 0.000 0.443 373 S N -0.583 115.076 115.700 -0.068 0.000 2.368 373 S HA -0.037 4.433 4.470 0.000 0.000 0.225 373 S C 2.169 176.722 174.600 -0.078 0.000 1.030 373 S CA 1.455 59.628 58.200 -0.046 0.000 0.999 373 S CB -0.434 62.750 63.200 -0.027 0.000 0.844 373 S HN 0.802 nan 8.310 nan 0.000 0.459 374 A N 0.434 123.165 122.820 -0.148 0.000 1.972 374 A HA -0.009 4.311 4.320 0.000 0.000 0.219 374 A C 2.342 179.802 177.584 -0.207 0.000 1.169 374 A CA 1.889 53.761 52.037 -0.275 0.000 0.635 374 A CB -0.850 17.834 19.000 -0.528 0.000 0.810 374 A HN 0.535 nan 8.150 nan 0.000 0.446 375 S N -0.088 115.521 115.700 -0.153 0.000 2.368 375 S HA -0.069 4.401 4.470 0.000 0.000 0.224 375 S C 1.796 176.351 174.600 -0.076 0.000 1.029 375 S CA 1.309 59.436 58.200 -0.122 0.000 0.988 375 S CB -0.417 62.706 63.200 -0.130 0.000 0.838 375 S HN 0.547 nan 8.310 nan 0.000 0.462 376 L N 1.081 122.275 121.223 -0.048 0.000 2.046 376 L HA -0.096 4.244 4.340 0.000 0.000 0.208 376 L C 2.300 179.154 176.870 -0.026 0.000 1.077 376 L CA 0.928 55.761 54.840 -0.012 0.000 0.747 376 L CB -0.790 41.278 42.059 0.014 0.000 0.896 376 L HN 0.207 nan 8.230 nan 0.000 0.432 377 V N 0.109 119.994 119.914 -0.048 0.000 2.407 377 V HA -0.272 3.848 4.120 0.000 0.000 0.248 377 V C 2.377 178.411 176.094 -0.101 0.000 1.055 377 V CA 1.510 63.767 62.300 -0.071 0.000 1.049 377 V CB -0.372 31.379 31.823 -0.120 0.000 0.662 377 V HN 0.355 nan 8.190 nan 0.000 0.455 378 L N -0.013 121.142 121.223 -0.113 0.000 2.072 378 L HA -0.089 4.251 4.340 0.000 0.000 0.205 378 L C 2.793 179.622 176.870 -0.069 0.000 1.079 378 L CA 1.424 56.202 54.840 -0.104 0.000 0.752 378 L CB -0.879 41.106 42.059 -0.122 0.000 0.906 378 L HN 0.346 nan 8.230 nan 0.000 0.436 379 A N 0.636 123.424 122.820 -0.053 0.000 1.908 379 A HA -0.180 4.140 4.320 0.000 0.000 0.218 379 A C 2.388 179.955 177.584 -0.029 0.000 1.181 379 A CA 1.921 53.939 52.037 -0.033 0.000 0.627 379 A CB -1.338 17.653 19.000 -0.015 0.000 0.818 379 A HN 0.455 nan 8.150 nan 0.000 0.445 380 G N -1.289 107.495 108.800 -0.027 0.000 2.432 380 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 380 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 380 G C 1.494 176.376 174.900 -0.029 0.000 1.135 380 G CA 1.248 46.336 45.100 -0.020 0.000 0.767 380 G HN 0.533 nan 8.290 nan 0.000 0.550 381 C N 0.591 119.866 119.300 -0.043 0.000 2.432 381 C HA 0.095 4.555 4.460 0.000 0.000 0.280 381 C C 2.485 177.456 174.990 -0.031 0.000 1.353 381 C CA 0.803 59.795 59.018 -0.042 0.000 1.766 381 C CB -0.819 26.890 27.740 -0.052 0.000 1.924 381 C HN 0.661 nan 8.230 nan 0.000 0.509 382 I N -1.607 118.944 120.570 -0.030 0.000 4.018 382 I HA 0.401 4.571 4.170 0.000 0.000 0.337 382 I C 0.924 177.028 176.117 -0.021 0.000 1.327 382 I CA -0.183 61.102 61.300 -0.025 0.000 1.100 382 I CB -0.385 37.598 38.000 -0.029 0.000 1.025 382 I HN 0.036 nan 8.210 nan 0.000 0.396 383 A N 1.590 124.398 122.820 -0.020 0.000 2.304 383 A HA 0.397 4.717 4.320 0.000 0.000 0.271 383 A C -0.130 177.447 177.584 -0.012 0.000 1.091 383 A CA -0.213 51.814 52.037 -0.016 0.000 0.812 383 A CB 0.437 19.429 19.000 -0.014 0.000 1.056 383 A HN 0.368 nan 8.150 nan 0.000 0.489 384 E N 0.129 120.323 120.200 -0.010 0.000 2.180 384 E HA 0.477 4.827 4.350 0.000 0.000 0.283 384 E C 0.759 177.357 176.600 -0.003 0.000 1.061 384 E CA 1.446 57.843 56.400 -0.006 0.000 0.861 384 E CB 0.003 29.700 29.700 -0.006 0.000 1.056 384 E HN 1.538 nan 8.360 nan 0.000 0.407 385 G N 3.266 112.065 108.800 -0.002 0.000 2.466 385 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 385 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 385 G C -0.527 174.375 174.900 0.003 0.000 1.237 385 G CA -0.323 44.777 45.100 0.001 0.000 0.954 385 G HN 0.631 nan 8.290 nan 0.000 0.580 386 T N 1.242 115.800 114.554 0.007 0.000 2.824 386 T HA 0.690 5.040 4.350 0.000 0.000 0.280 386 T C -0.193 174.516 174.700 0.014 0.000 0.995 386 T CA 0.332 62.439 62.100 0.011 0.000 1.009 386 T CB 1.617 70.493 68.868 0.015 0.000 0.955 386 T HN 0.754 nan 8.240 nan 0.000 0.452 387 T N 2.374 116.939 114.554 0.018 0.000 2.841 387 T HA 0.564 4.914 4.350 0.000 0.000 0.283 387 T C -0.669 174.055 174.700 0.040 0.000 1.000 387 T CA -0.552 61.562 62.100 0.023 0.000 0.977 387 T CB 1.373 70.251 68.868 0.016 0.000 0.979 387 T HN 0.345 nan 8.240 nan 0.000 0.446 388 V N 3.627 123.567 119.914 0.044 0.000 2.349 388 V HA 0.378 4.498 4.120 0.000 0.000 0.284 388 V C -0.256 175.874 176.094 0.060 0.000 1.014 388 V CA -0.813 61.521 62.300 0.058 0.000 0.826 388 V CB 1.515 33.365 31.823 0.045 0.000 1.009 388 V HN 0.736 nan 8.190 nan 0.000 0.431 389 V N 3.770 123.736 119.914 0.087 0.000 2.383 389 V HA 0.369 4.489 4.120 0.000 0.000 0.275 389 V C 0.021 176.147 176.094 0.053 0.000 1.036 389 V CA -0.278 62.069 62.300 0.078 0.000 0.889 389 V CB 1.552 33.444 31.823 0.115 0.000 0.985 389 V HN 0.906 nan 8.190 nan 0.000 0.459 390 D N 3.181 123.602 120.400 0.035 0.000 2.387 390 D HA 0.474 5.114 4.640 0.000 0.000 0.255 390 D C 0.418 176.725 176.300 0.012 0.000 1.081 390 D CA -0.559 53.453 54.000 0.020 0.000 0.994 390 D CB 0.714 41.535 40.800 0.034 0.000 1.127 390 D HN 0.471 nan 8.370 nan 0.000 0.513 391 R N 0.571 121.081 120.500 0.015 0.000 3.264 391 R HA -0.152 4.188 4.340 0.000 0.000 0.251 391 R C 0.925 177.122 176.300 -0.171 0.000 0.971 391 R CA 0.709 56.803 56.100 -0.010 0.000 0.658 391 R CB -1.911 28.413 30.300 0.041 0.000 1.095 391 R HN 0.539 nan 8.270 nan 0.000 0.443 392 I N -2.383 118.097 120.570 -0.151 0.000 3.564 392 I HA -0.088 4.082 4.170 0.000 0.000 0.294 392 I C 1.841 177.851 176.117 -0.177 0.000 1.289 392 I CA 0.258 61.445 61.300 -0.189 0.000 1.325 392 I CB -0.351 37.406 38.000 -0.406 0.000 1.039 392 I HN 0.348 nan 8.210 nan 0.000 0.474 393 Y N 0.158 120.356 120.300 -0.170 0.000 2.352 393 Y HA -0.125 4.425 4.550 0.000 0.000 0.292 393 Y C 2.363 178.200 175.900 -0.105 0.000 1.136 393 Y CA 0.952 58.956 58.100 -0.160 0.000 1.227 393 Y CB -1.378 36.956 38.460 -0.210 0.000 0.991 393 Y HN 0.141 nan 8.280 nan 0.000 0.545 394 H N 0.805 119.507 119.070 -0.614 0.000 2.387 394 H HA -0.111 4.445 4.556 0.000 0.000 0.299 394 H C 2.238 177.531 175.328 -0.059 0.000 1.099 394 H CA 2.013 57.857 56.048 -0.339 0.000 1.315 394 H CB -0.147 29.389 29.762 -0.377 0.000 1.380 394 H HN 0.477 nan 8.280 nan 0.000 0.513 395 I N 0.694 121.310 120.570 0.077 0.000 2.353 395 I HA -0.194 3.976 4.170 0.000 0.000 0.248 395 I C 1.829 178.075 176.117 0.216 0.000 1.119 395 I CA 0.924 62.314 61.300 0.150 0.000 1.417 395 I CB -0.125 37.922 38.000 0.080 0.000 1.078 395 I HN 0.034 nan 8.210 nan 0.000 0.421 396 D N 0.943 121.428 120.400 0.143 0.000 2.263 396 D HA -0.145 4.496 4.640 0.000 0.000 0.208 396 D C 2.247 178.639 176.300 0.154 0.000 0.971 396 D CA 1.024 55.115 54.000 0.152 0.000 0.867 396 D CB -0.135 40.726 40.800 0.102 0.000 0.929 396 D HN 0.345 nan 8.370 nan 0.000 0.492 397 R N -0.388 120.204 120.500 0.154 0.000 2.127 397 R HA 0.093 4.433 4.340 0.000 0.000 0.217 397 R C 2.087 178.458 176.300 0.118 0.000 1.074 397 R CA 1.032 57.212 56.100 0.132 0.000 0.991 397 R CB 0.081 30.465 30.300 0.140 0.000 0.895 397 R HN 0.092 nan 8.270 nan 0.000 0.450 398 G N -1.289 107.603 108.800 0.154 0.000 3.044 398 G HA2 0.047 4.008 3.960 0.000 0.000 0.223 398 G HA3 0.047 4.008 3.960 0.000 0.000 0.223 398 G C -0.376 174.483 174.900 -0.068 0.000 1.123 398 G CA -0.080 45.051 45.100 0.052 0.000 0.765 398 G HN 0.057 nan 8.290 nan 0.000 0.546 399 Y N 0.100 120.443 120.300 0.071 0.000 2.391 399 Y HA 0.439 4.989 4.550 0.000 0.000 0.341 399 Y C -0.186 175.775 175.900 0.102 0.000 0.965 399 Y CA -1.428 56.723 58.100 0.086 0.000 1.067 399 Y CB 1.923 40.433 38.460 0.084 0.000 1.199 399 Y HN -0.007 nan 8.280 nan 0.000 0.450 400 E N 4.335 124.669 120.200 0.224 0.000 2.052 400 E HA 0.275 4.625 4.350 0.000 0.000 0.283 400 E C -0.425 176.288 176.600 0.188 0.000 1.071 400 E CA -0.348 56.152 56.400 0.167 0.000 0.851 400 E CB 0.183 29.949 29.700 0.110 0.000 1.066 400 E HN 0.647 nan 8.360 nan 0.000 0.396 401 R N 3.565 124.170 120.500 0.175 0.000 3.205 401 R HA -0.231 4.109 4.340 0.000 0.000 0.249 401 R C 0.971 177.380 176.300 0.181 0.000 0.937 401 R CA 0.406 56.602 56.100 0.159 0.000 0.641 401 R CB -1.958 28.407 30.300 0.108 0.000 1.114 401 R HN 0.768 nan 8.270 nan 0.000 0.451 402 I N 1.461 122.162 120.570 0.219 0.000 2.315 402 I HA -0.272 3.898 4.170 0.000 0.000 0.248 402 I C 2.577 178.726 176.117 0.053 0.000 1.117 402 I CA 1.920 63.331 61.300 0.186 0.000 1.404 402 I CB -0.002 38.036 38.000 0.064 0.000 1.071 402 I HN 0.445 nan 8.210 nan 0.000 0.419 403 E N 0.353 120.546 120.200 -0.012 0.000 2.153 403 E HA -0.286 4.064 4.350 0.000 0.000 0.194 403 E C 1.258 177.832 176.600 -0.044 0.000 0.988 403 E CA 1.550 57.850 56.400 -0.167 0.000 0.811 403 E CB -0.636 29.009 29.700 -0.093 0.000 0.746 403 E HN 0.509 nan 8.360 nan 0.000 0.466 404 D N 1.301 121.717 120.400 0.027 0.000 2.183 404 D HA -0.026 4.614 4.640 0.000 0.000 0.203 404 D C 1.785 178.085 176.300 -0.001 0.000 0.969 404 D CA 0.982 54.993 54.000 0.019 0.000 0.842 404 D CB -0.010 40.812 40.800 0.035 0.000 0.957 404 D HN 0.301 nan 8.370 nan 0.000 0.484 405 K N 0.067 120.476 120.400 0.015 0.000 2.137 405 K HA 0.097 4.417 4.320 0.000 0.000 0.202 405 K C 2.234 178.821 176.600 -0.021 0.000 1.052 405 K CA 0.225 56.483 56.287 -0.049 0.000 0.961 405 K CB 0.189 32.632 32.500 -0.095 0.000 0.741 405 K HN 0.107 nan 8.250 nan 0.000 0.452 406 L N 0.716 121.976 121.223 0.061 0.000 2.027 406 L HA -0.135 4.205 4.340 0.000 0.000 0.206 406 L C 2.737 179.599 176.870 -0.014 0.000 1.074 406 L CA 1.144 56.015 54.840 0.053 0.000 0.745 406 L CB -0.353 41.697 42.059 -0.016 0.000 0.898 406 L HN 0.184 nan 8.230 nan 0.000 0.433 407 R N 0.367 120.845 120.500 -0.037 0.000 2.105 407 R HA -0.198 4.142 4.340 0.000 0.000 0.239 407 R C 2.198 178.479 176.300 -0.031 0.000 1.135 407 R CA 1.546 57.624 56.100 -0.036 0.000 0.967 407 R CB -0.217 30.064 30.300 -0.032 0.000 0.861 407 R HN 0.354 nan 8.270 nan 0.000 0.442 408 A N 0.322 123.121 122.820 -0.036 0.000 2.067 408 A HA -0.035 4.285 4.320 0.000 0.000 0.219 408 A C 1.833 179.390 177.584 -0.045 0.000 1.158 408 A CA 0.837 52.848 52.037 -0.044 0.000 0.661 408 A CB -0.154 18.811 19.000 -0.060 0.000 0.801 408 A HN 0.352 nan 8.150 nan 0.000 0.452 409 L N -1.644 119.556 121.223 -0.038 0.000 2.592 409 L HA 0.268 4.608 4.340 0.000 0.000 0.227 409 L C 1.550 178.409 176.870 -0.018 0.000 1.127 409 L CA 0.553 55.377 54.840 -0.028 0.000 0.884 409 L CB 0.126 42.182 42.059 -0.005 0.000 1.065 409 L HN 0.538 nan 8.230 nan 0.000 0.457 410 G N -0.292 108.495 108.800 -0.021 0.000 2.184 410 G HA2 -0.208 3.752 3.960 0.000 0.000 0.206 410 G HA3 -0.208 3.752 3.960 0.000 0.000 0.206 410 G C 0.392 175.279 174.900 -0.022 0.000 0.995 410 G CA -0.159 44.929 45.100 -0.020 0.000 0.651 410 G HN 0.419 nan 8.290 nan 0.000 0.511 411 A N 0.071 122.875 122.820 -0.027 0.000 2.445 411 A HA 0.566 4.886 4.320 0.000 0.000 0.242 411 A C 0.503 178.063 177.584 -0.040 0.000 1.075 411 A CA 0.371 52.386 52.037 -0.038 0.000 0.777 411 A CB 0.356 19.323 19.000 -0.056 0.000 1.013 411 A HN 0.592 nan 8.150 nan 0.000 0.493 412 N N 1.688 120.365 118.700 -0.038 0.000 2.589 412 N HA 0.410 5.150 4.740 0.000 0.000 0.232 412 N C -1.274 174.213 175.510 -0.039 0.000 1.015 412 N CA -0.072 52.960 53.050 -0.029 0.000 0.931 412 N CB 0.406 38.882 38.487 -0.017 0.000 1.150 412 N HN 0.667 nan 8.380 nan 0.000 0.512 413 I N 1.646 122.185 120.570 -0.051 0.000 2.802 413 I HA 0.447 4.617 4.170 0.000 0.000 0.298 413 I C -1.542 174.568 176.117 -0.011 0.000 1.176 413 I CA -0.673 60.586 61.300 -0.069 0.000 1.025 413 I CB 2.139 40.014 38.000 -0.207 0.000 1.243 413 I HN 0.515 nan 8.210 nan 0.000 0.424 414 E N 6.776 127.019 120.200 0.071 0.000 2.352 414 E HA 0.383 4.733 4.350 0.000 0.000 0.280 414 E C -1.683 175.078 176.600 0.269 0.000 0.930 414 E CA -1.058 55.421 56.400 0.132 0.000 0.765 414 E CB 1.875 31.624 29.700 0.082 0.000 1.219 414 E HN 0.651 nan 8.360 nan 0.000 0.434 415 R N 2.119 122.787 120.500 0.280 0.000 2.357 415 R HA 0.470 4.810 4.340 0.000 0.000 0.296 415 R C -0.605 175.743 176.300 0.079 0.000 1.052 415 R CA -0.418 55.809 56.100 0.212 0.000 0.988 415 R CB 1.276 31.668 30.300 0.153 0.000 1.025 415 R HN 0.504 nan 8.270 nan 0.000 0.469 416 V N 1.315 121.241 119.914 0.019 0.000 2.876 416 V HA 0.570 4.690 4.120 0.000 0.000 0.312 416 V C -0.766 175.317 176.094 -0.019 0.000 1.085 416 V CA -1.174 61.132 62.300 0.010 0.000 0.945 416 V CB 2.005 33.844 31.823 0.027 0.000 1.017 416 V HN 0.704 nan 8.190 nan 0.000 0.428 417 K N 1.904 122.297 120.400 -0.011 0.000 2.836 417 K HA 0.636 4.956 4.320 0.000 0.000 0.300 417 K C 0.810 177.404 176.600 -0.011 0.000 1.004 417 K CA -0.046 56.230 56.287 -0.017 0.000 1.140 417 K CB -0.058 32.433 32.500 -0.014 0.000 1.458 417 K HN 2.177 nan 8.250 nan 0.000 0.550 418 G N 2.885 111.678 108.800 -0.011 0.000 2.387 418 G HA2 -0.275 3.685 3.960 0.000 0.000 0.270 418 G HA3 -0.275 3.685 3.960 0.000 0.000 0.270 418 G C 0.139 175.037 174.900 -0.004 0.000 0.957 418 G CA 1.023 46.119 45.100 -0.007 0.000 1.352 418 G HN 0.706 nan 8.290 nan 0.000 0.457 419 E N 0.000 120.196 120.200 -0.006 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.401 56.400 0.001 0.000 0.976 419 E CB 0.000 29.702 29.700 0.003 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440