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 2z49_1_A DATA FIRST_RESID 2 DATA SEQUENCE VLcTNPLDIG ELRSFKSKQc VDIVGNQGSG NIATYDcDGL SDQQIIIcGD DATA SEQUENCE GTIRNEARNY cFTPDGSGNA NVMSSPcTLY PEIPSSQRWR QGRRKTFTDN DATA SEQUENCE GGIEQVATEI INLASGKcLD IEGSDGTGDI GVYDcQNLDD QYFYVRSRGP DATA SEQUENCE ELFYGRLRNE KSDLcLDVEG SDGKGNVLMY ScEDNLDQWF RYYENGEIVN DATA SEQUENCE AKSGMcLDVE GSDGSGNVGI YRcDDLRDQM WSRPNAYcNG DYcSFLNKES DATA SEQUENCE NKcLDVSGDQ GTGDVGTWQc DGLPDQRFKW VFDDWEVPTA TWNMVGcDQN DATA SEQUENCE GKVSQQISNT ISFSSTVTAG VAVEVSSTIE KGVIFAKATV SVKVTASLSK DATA SEQUENCE AWTNSQSGTT AITYTcDNYD SDEEFTRGcM WQLAIETTEV KSGDLLVWNP DATA SEQUENCE QIVKcTRSNT APGcAPFTKc ANEDcTFcTD I 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.148 176.094 0.090 0.000 1.182 2 V CA 0.000 62.362 62.300 0.104 0.000 1.235 2 V CB 0.000 31.917 31.823 0.156 0.000 1.184 3 L N 1.716 122.975 121.223 0.061 0.000 2.461 3 L HA 0.496 4.816 4.340 -0.034 0.000 0.259 3 L C 0.841 177.726 176.870 0.025 0.000 1.248 3 L CA 0.167 55.032 54.840 0.043 0.000 0.823 3 L CB -0.013 42.060 42.059 0.024 0.000 1.111 3 L HN 0.752 nan 8.230 nan 0.000 0.516 4 c N 1.424 120.034 118.600 0.016 0.000 2.540 4 c HA 0.363 4.912 4.570 -0.034 0.000 0.377 4 c C 1.890 175.933 174.090 -0.079 0.000 1.274 4 c CA 0.233 56.556 56.329 -0.011 0.000 1.718 4 c CB -1.252 41.262 42.510 0.006 0.000 2.391 4 c HN 1.019 nan 8.230 nan 0.000 0.565 5 T N 1.185 115.637 114.554 -0.170 0.000 3.065 5 T HA 0.023 4.353 4.350 -0.034 0.000 0.252 5 T C 0.626 175.185 174.700 -0.235 0.000 1.099 5 T CA 0.511 62.440 62.100 -0.285 0.000 1.063 5 T CB -0.329 68.151 68.868 -0.646 0.000 0.948 5 T HN 0.833 nan 8.240 nan 0.000 0.506 6 N N 1.521 120.118 118.700 -0.172 0.000 2.818 6 N HA 0.307 5.026 4.740 -0.034 0.000 0.301 6 N C -3.265 172.153 175.510 -0.153 0.000 1.821 6 N CA -2.186 50.768 53.050 -0.160 0.000 0.930 6 N CB 0.825 39.251 38.487 -0.102 0.000 1.263 6 N HN 0.243 nan 8.380 nan 0.000 0.487 7 P HA 0.119 nan 4.420 nan 0.000 0.272 7 P C 0.493 177.733 177.300 -0.100 0.000 1.223 7 P CA -0.403 62.635 63.100 -0.105 0.000 0.784 7 P CB 1.917 33.616 31.700 -0.001 0.000 0.923 8 L N -0.254 121.023 121.223 0.090 0.000 2.537 8 L HA 0.332 4.652 4.340 -0.034 0.000 0.224 8 L C 0.575 177.635 176.870 0.317 0.000 1.065 8 L CA 0.745 55.682 54.840 0.162 0.000 0.860 8 L CB 0.146 42.249 42.059 0.074 0.000 1.086 8 L HN 0.375 nan 8.230 nan 0.000 0.482 9 D N -0.766 119.808 120.400 0.290 0.000 2.745 9 D HA 0.442 5.062 4.640 -0.034 0.000 0.221 9 D C -1.413 174.946 176.300 0.099 0.000 1.237 9 D CA -0.237 53.857 54.000 0.156 0.000 0.781 9 D CB 2.186 43.033 40.800 0.077 0.000 1.575 9 D HN -0.155 nan 8.370 nan 0.000 0.482 10 I N 1.951 122.520 120.570 -0.001 0.000 2.499 10 I HA 0.813 4.962 4.170 -0.034 0.000 0.288 10 I C 0.585 176.677 176.117 -0.041 0.000 1.048 10 I CA -0.401 60.894 61.300 -0.008 0.000 1.062 10 I CB 1.957 39.957 38.000 0.001 0.000 1.238 10 I HN 0.503 nan 8.210 nan 0.000 0.426 11 G N 4.224 113.007 108.800 -0.029 0.000 2.317 11 G HA2 0.182 4.121 3.960 -0.034 0.000 0.293 11 G HA3 0.182 4.121 3.960 -0.034 0.000 0.293 11 G C -1.662 173.222 174.900 -0.026 0.000 1.287 11 G CA -0.902 44.179 45.100 -0.032 0.000 0.850 11 G HN 0.503 nan 8.290 nan 0.000 0.515 12 E N -0.437 119.746 120.200 -0.028 0.000 2.384 12 E HA 0.305 4.635 4.350 -0.034 0.000 0.266 12 E C -0.601 175.965 176.600 -0.056 0.000 1.012 12 E CA -0.248 56.134 56.400 -0.031 0.000 0.901 12 E CB 1.726 31.405 29.700 -0.034 0.000 0.967 12 E HN 0.333 nan 8.360 nan 0.000 0.435 13 L N 4.290 125.491 121.223 -0.036 0.000 2.265 13 L HA 0.271 4.591 4.340 -0.034 0.000 0.289 13 L C -0.590 176.264 176.870 -0.027 0.000 1.033 13 L CA 0.083 54.904 54.840 -0.032 0.000 0.814 13 L CB 0.505 42.556 42.059 -0.013 0.000 1.203 13 L HN 0.403 nan 8.230 nan 0.000 0.423 14 R N 2.666 123.054 120.500 -0.187 0.000 2.711 14 R HA 0.446 4.765 4.340 -0.034 0.000 0.284 14 R C -0.513 175.762 176.300 -0.041 0.000 0.968 14 R CA -0.845 55.101 56.100 -0.258 0.000 0.924 14 R CB 1.963 31.793 30.300 -0.783 0.000 1.162 14 R HN 0.668 nan 8.270 nan 0.000 0.465 15 S N 2.052 117.779 115.700 0.045 0.000 2.488 15 S HA -0.032 4.417 4.470 -0.034 0.000 0.278 15 S C 1.061 175.718 174.600 0.096 0.000 1.259 15 S CA -0.417 57.754 58.200 -0.048 0.000 1.061 15 S CB 0.135 63.306 63.200 -0.049 0.000 0.910 15 S HN 0.566 nan 8.310 nan 0.000 0.491 16 F N 5.525 125.463 119.950 -0.020 0.000 2.154 16 F HA -0.086 4.415 4.527 -0.043 0.000 0.301 16 F C 1.985 177.678 175.800 -0.178 0.000 1.087 16 F CA 2.149 60.132 58.000 -0.029 0.000 1.274 16 F CB -0.300 38.656 39.000 -0.073 0.000 1.009 16 F HN 0.645 nan 8.300 nan 0.000 0.485 17 K N 0.551 120.833 120.400 -0.196 0.000 1.973 17 K HA -0.130 4.170 4.320 -0.034 0.000 0.210 17 K C 2.239 178.700 176.600 -0.231 0.000 1.045 17 K CA 2.309 58.443 56.287 -0.255 0.000 0.937 17 K CB -0.733 31.699 32.500 -0.113 0.000 0.721 17 K HN 0.326 nan 8.250 nan 0.000 0.438 18 S N -0.875 114.750 115.700 -0.126 0.000 2.503 18 S HA 0.173 4.622 4.470 -0.034 0.000 0.215 18 S C 0.133 174.708 174.600 -0.041 0.000 1.003 18 S CA -0.032 58.119 58.200 -0.081 0.000 0.910 18 S CB 0.146 63.319 63.200 -0.044 0.000 0.790 18 S HN 0.269 nan 8.310 nan 0.000 0.514 19 K N -0.030 120.370 120.400 0.000 0.000 3.472 19 K HA -0.132 4.167 4.320 -0.034 0.000 0.315 19 K C -0.401 176.233 176.600 0.057 0.000 1.320 19 K CA 0.975 57.325 56.287 0.105 0.000 0.962 19 K CB -2.169 30.422 32.500 0.152 0.000 1.251 19 K HN 0.546 nan 8.250 nan 0.000 0.443 20 Q N 0.036 119.852 119.800 0.027 0.000 2.417 20 Q HA 0.130 4.450 4.340 -0.034 0.000 0.241 20 Q C 0.572 176.597 176.000 0.042 0.000 1.008 20 Q CA 0.078 55.899 55.803 0.030 0.000 0.901 20 Q CB 0.776 29.530 28.738 0.027 0.000 1.259 20 Q HN 0.232 nan 8.270 nan 0.000 0.489 21 c N 1.018 119.651 118.600 0.056 0.000 2.605 21 c HA 0.203 4.753 4.570 -0.034 0.000 0.404 21 c C 0.544 174.694 174.090 0.099 0.000 1.284 21 c CA -0.709 55.657 56.329 0.062 0.000 2.199 21 c CB 0.333 42.884 42.510 0.068 0.000 2.647 21 c HN 0.466 nan 8.230 nan 0.000 0.604 22 V N 3.772 123.748 119.914 0.102 0.000 2.439 22 V HA 0.143 4.243 4.120 -0.034 0.000 0.271 22 V C 0.064 176.192 176.094 0.057 0.000 1.040 22 V CA 0.587 62.943 62.300 0.094 0.000 1.002 22 V CB 0.729 32.614 31.823 0.103 0.000 1.000 22 V HN 0.913 nan 8.190 nan 0.000 0.477 23 D N 4.577 124.988 120.400 0.019 0.000 2.505 23 D HA 0.500 5.119 4.640 -0.034 0.000 0.249 23 D C -0.450 175.798 176.300 -0.087 0.000 1.082 23 D CA -0.510 53.483 54.000 -0.012 0.000 0.839 23 D CB 1.372 42.185 40.800 0.021 0.000 1.317 23 D HN 0.418 nan 8.370 nan 0.000 0.497 24 I N 3.257 123.772 120.570 -0.091 0.000 2.428 24 I HA 0.185 4.334 4.170 -0.034 0.000 0.289 24 I C 0.576 176.616 176.117 -0.129 0.000 1.019 24 I CA -1.061 60.173 61.300 -0.110 0.000 1.351 24 I CB 1.611 39.570 38.000 -0.068 0.000 1.412 24 I HN 0.235 nan 8.210 nan 0.000 0.513 25 V N 7.431 127.268 119.914 -0.129 0.000 2.763 25 V HA 0.425 4.524 4.120 -0.034 0.000 0.306 25 V C 0.919 176.932 176.094 -0.135 0.000 1.059 25 V CA 1.251 63.460 62.300 -0.153 0.000 1.138 25 V CB 0.031 31.786 31.823 -0.114 0.000 0.940 25 V HN 1.100 nan 8.190 nan 0.000 0.489 26 G N 5.260 113.962 108.800 -0.163 0.000 2.562 26 G HA2 -0.288 3.652 3.960 -0.034 0.000 0.250 26 G HA3 -0.288 3.652 3.960 -0.034 0.000 0.250 26 G C 0.327 175.156 174.900 -0.117 0.000 1.269 26 G CA 0.413 45.437 45.100 -0.125 0.000 0.919 26 G HN 1.756 nan 8.290 nan 0.000 0.574 27 N N -0.517 118.130 118.700 -0.089 0.000 2.143 27 N HA 0.044 4.764 4.740 -0.034 0.000 0.229 27 N C 1.168 176.633 175.510 -0.075 0.000 1.294 27 N CA 0.245 53.249 53.050 -0.077 0.000 0.883 27 N CB 0.611 39.058 38.487 -0.065 0.000 1.148 27 N HN 0.571 nan 8.380 nan 0.000 0.511 28 Q N 0.542 120.291 119.800 -0.084 0.000 2.392 28 Q HA 0.151 4.471 4.340 -0.034 0.000 0.203 28 Q C 0.750 176.671 176.000 -0.130 0.000 0.917 28 Q CA 0.870 56.611 55.803 -0.104 0.000 0.939 28 Q CB 0.451 29.124 28.738 -0.110 0.000 1.063 28 Q HN 0.605 nan 8.270 nan 0.000 0.516 29 G N 1.941 110.682 108.800 -0.097 0.000 2.132 29 G HA2 -0.247 3.692 3.960 -0.034 0.000 0.234 29 G HA3 -0.247 3.692 3.960 -0.034 0.000 0.234 29 G C 0.136 174.995 174.900 -0.069 0.000 0.989 29 G CA 0.489 45.543 45.100 -0.076 0.000 0.676 29 G HN 0.438 nan 8.290 nan 0.000 0.522 30 S N -1.088 114.572 115.700 -0.067 0.000 2.570 30 S HA 1.043 5.492 4.470 -0.034 0.000 0.286 30 S C 0.374 174.997 174.600 0.038 0.000 1.099 30 S CA 0.247 58.482 58.200 0.060 0.000 0.913 30 S CB 2.846 66.067 63.200 0.035 0.000 1.085 30 S HN 2.379 nan 8.310 nan 0.000 0.480 31 G N 1.537 110.377 108.800 0.067 0.000 2.422 31 G HA2 0.004 3.943 3.960 -0.034 0.000 0.607 31 G HA3 0.004 3.943 3.960 -0.034 0.000 0.607 31 G C -0.869 174.011 174.900 -0.034 0.000 1.270 31 G CA -0.683 44.422 45.100 0.009 0.000 0.992 31 G HN 1.002 nan 8.290 nan 0.000 0.499 32 N N -0.478 118.193 118.700 -0.048 0.000 2.441 32 N HA 0.395 5.114 4.740 -0.034 0.000 0.251 32 N C 0.289 175.730 175.510 -0.115 0.000 1.242 32 N CA 0.268 53.276 53.050 -0.070 0.000 0.898 32 N CB 0.144 38.601 38.487 -0.049 0.000 1.100 32 N HN 0.557 nan 8.380 nan 0.000 0.443 33 I N 1.601 122.076 120.570 -0.159 0.000 2.377 33 I HA 0.631 4.781 4.170 -0.034 0.000 0.293 33 I C 0.066 176.109 176.117 -0.124 0.000 0.987 33 I CA -0.541 60.629 61.300 -0.216 0.000 1.185 33 I CB 1.400 39.127 38.000 -0.455 0.000 1.341 33 I HN 0.588 nan 8.210 nan 0.000 0.455 34 A N 3.223 125.999 122.820 -0.073 0.000 2.586 34 A HA 0.685 4.984 4.320 -0.034 0.000 0.290 34 A C -0.385 177.229 177.584 0.049 0.000 1.086 34 A CA -0.632 51.405 52.037 -0.001 0.000 0.665 34 A CB 1.276 20.286 19.000 0.016 0.000 1.279 34 A HN 0.653 nan 8.150 nan 0.000 0.423 35 T N -1.443 113.164 114.554 0.088 0.000 2.898 35 T HA 0.577 4.906 4.350 -0.034 0.000 0.301 35 T C -0.469 174.348 174.700 0.195 0.000 1.049 35 T CA 0.279 62.450 62.100 0.119 0.000 1.095 35 T CB 0.663 69.586 68.868 0.092 0.000 0.976 35 T HN 1.324 nan 8.240 nan 0.000 0.539 36 Y N -0.525 119.782 120.300 0.011 0.000 2.656 36 Y HA 0.323 4.852 4.550 -0.035 0.000 0.334 36 Y C -1.020 174.885 175.900 0.009 0.000 1.179 36 Y CA -1.231 56.872 58.100 0.005 0.000 1.050 36 Y CB 1.425 39.883 38.460 -0.003 0.000 1.308 36 Y HN 0.730 nan 8.280 nan 0.000 0.456 37 D N 1.657 121.892 120.400 -0.274 0.000 2.525 37 D HA 0.045 4.665 4.640 -0.034 0.000 0.235 37 D C -0.435 175.922 176.300 0.095 0.000 1.137 37 D CA 0.666 54.595 54.000 -0.118 0.000 0.868 37 D CB 0.316 40.972 40.800 -0.240 0.000 1.180 37 D HN 0.502 nan 8.370 nan 0.000 0.465 38 c N 2.828 121.467 118.600 0.064 0.000 2.648 38 c HA 0.104 4.654 4.570 -0.034 0.000 0.415 38 c C 1.338 175.472 174.090 0.073 0.000 1.366 38 c CA -0.368 56.006 56.329 0.074 0.000 1.756 38 c CB -0.407 42.132 42.510 0.048 0.000 2.549 38 c HN 0.625 nan 8.230 nan 0.000 0.597 39 D N -0.141 120.305 120.400 0.077 0.000 2.520 39 D HA 0.218 4.838 4.640 -0.034 0.000 0.223 39 D C 1.287 177.602 176.300 0.025 0.000 1.186 39 D CA 0.515 54.550 54.000 0.058 0.000 0.821 39 D CB -0.255 40.603 40.800 0.096 0.000 1.072 39 D HN 0.868 nan 8.370 nan 0.000 0.518 40 G N 0.493 109.306 108.800 0.021 0.000 2.179 40 G HA2 -0.261 3.678 3.960 -0.034 0.000 0.260 40 G HA3 -0.261 3.678 3.960 -0.034 0.000 0.260 40 G C 0.070 174.969 174.900 -0.002 0.000 0.977 40 G CA 0.396 45.502 45.100 0.009 0.000 0.641 40 G HN 0.394 nan 8.290 nan 0.000 0.533 41 L N 1.236 122.457 121.223 -0.003 0.000 2.418 41 L HA 0.409 4.728 4.340 -0.034 0.000 0.265 41 L C 2.228 179.088 176.870 -0.017 0.000 1.143 41 L CA 0.113 54.943 54.840 -0.016 0.000 0.809 41 L CB 1.209 43.254 42.059 -0.024 0.000 1.124 41 L HN 0.314 nan 8.230 nan 0.000 0.456 42 S N -0.621 115.064 115.700 -0.025 0.000 2.447 42 S HA -0.177 4.273 4.470 -0.034 0.000 0.233 42 S C 1.269 175.861 174.600 -0.013 0.000 1.006 42 S CA 0.939 59.126 58.200 -0.022 0.000 0.957 42 S CB -0.378 62.804 63.200 -0.031 0.000 0.773 42 S HN 0.851 nan 8.310 nan 0.000 0.507 43 D N 1.337 121.727 120.400 -0.017 0.000 2.219 43 D HA -0.182 4.437 4.640 -0.034 0.000 0.205 43 D C 1.690 178.001 176.300 0.018 0.000 0.970 43 D CA 0.884 54.881 54.000 -0.006 0.000 0.851 43 D CB -0.594 40.189 40.800 -0.028 0.000 0.943 43 D HN 0.545 nan 8.370 nan 0.000 0.488 44 Q N -0.436 119.370 119.800 0.011 0.000 2.444 44 Q HA 0.036 4.356 4.340 -0.034 0.000 0.206 44 Q C 0.223 176.235 176.000 0.020 0.000 0.948 44 Q CA 0.181 55.999 55.803 0.025 0.000 0.946 44 Q CB 0.351 29.104 28.738 0.024 0.000 1.027 44 Q HN 0.284 nan 8.270 nan 0.000 0.513 45 Q N 1.268 121.074 119.800 0.010 0.000 2.423 45 Q HA 0.159 4.478 4.340 -0.034 0.000 0.235 45 Q C -0.360 175.643 176.000 0.005 0.000 1.100 45 Q CA 0.210 56.014 55.803 0.001 0.000 0.908 45 Q CB 0.556 29.292 28.738 -0.004 0.000 1.312 45 Q HN 0.188 nan 8.270 nan 0.000 0.497 46 I N 3.322 123.887 120.570 -0.009 0.000 2.472 46 I HA 0.310 4.460 4.170 -0.034 0.000 0.290 46 I C 0.586 176.668 176.117 -0.058 0.000 1.016 46 I CA -0.732 60.541 61.300 -0.044 0.000 1.348 46 I CB 0.913 38.861 38.000 -0.087 0.000 1.417 46 I HN 0.404 nan 8.210 nan 0.000 0.521 47 I N 6.059 126.584 120.570 -0.076 0.000 2.330 47 I HA 0.261 4.410 4.170 -0.034 0.000 0.289 47 I C -0.138 175.924 176.117 -0.090 0.000 1.001 47 I CA -0.586 60.694 61.300 -0.033 0.000 1.193 47 I CB 1.342 39.350 38.000 0.012 0.000 1.345 47 I HN 0.197 nan 8.210 nan 0.000 0.461 48 I N 5.883 126.423 120.570 -0.051 0.000 2.294 48 I HA 0.079 4.229 4.170 -0.034 0.000 0.295 48 I C 0.310 176.422 176.117 -0.007 0.000 1.098 48 I CA -0.108 61.154 61.300 -0.064 0.000 1.277 48 I CB 0.629 38.609 38.000 -0.032 0.000 1.434 48 I HN 0.602 nan 8.210 nan 0.000 0.498 49 c N 5.360 123.949 118.600 -0.019 0.000 2.452 49 c HA 0.491 5.040 4.570 -0.034 0.000 0.379 49 c C 1.972 176.066 174.090 0.007 0.000 1.275 49 c CA -0.261 56.068 56.329 0.001 0.000 2.056 49 c CB 0.559 43.074 42.510 0.008 0.000 2.506 49 c HN 1.000 nan 8.230 nan 0.000 0.560 50 G N 3.088 111.884 108.800 -0.006 0.000 2.470 50 G HA2 -0.186 3.753 3.960 -0.034 0.000 0.220 50 G HA3 -0.186 3.753 3.960 -0.034 0.000 0.220 50 G C 1.061 175.968 174.900 0.012 0.000 1.121 50 G CA 1.222 46.320 45.100 -0.005 0.000 0.766 50 G HN 0.953 nan 8.290 nan 0.000 0.553 51 D N -0.715 119.698 120.400 0.021 0.000 2.363 51 D HA 0.204 4.824 4.640 -0.034 0.000 0.226 51 D C 1.730 178.051 176.300 0.035 0.000 1.020 51 D CA 0.888 54.906 54.000 0.030 0.000 0.892 51 D CB -0.399 40.425 40.800 0.041 0.000 0.900 51 D HN 0.480 nan 8.370 nan 0.000 0.531 52 G N -0.137 108.693 108.800 0.050 0.000 2.232 52 G HA2 -0.256 3.683 3.960 -0.034 0.000 0.226 52 G HA3 -0.256 3.683 3.960 -0.034 0.000 0.226 52 G C 0.552 175.548 174.900 0.160 0.000 0.996 52 G CA 0.310 45.461 45.100 0.084 0.000 0.626 52 G HN 0.792 nan 8.290 nan 0.000 0.509 53 T N -0.332 114.295 114.554 0.121 0.000 2.868 53 T HA 0.656 4.985 4.350 -0.034 0.000 0.292 53 T C 0.275 175.009 174.700 0.056 0.000 1.028 53 T CA -0.182 62.014 62.100 0.160 0.000 1.059 53 T CB 1.769 70.702 68.868 0.107 0.000 0.991 53 T HN 0.618 nan 8.240 nan 0.000 0.531 54 I N 2.026 122.572 120.570 -0.040 0.000 2.418 54 I HA 0.481 4.630 4.170 -0.034 0.000 0.287 54 I C 0.589 176.522 176.117 -0.306 0.000 1.008 54 I CA -0.898 60.154 61.300 -0.413 0.000 1.104 54 I CB 1.642 39.000 38.000 -1.071 0.000 1.264 54 I HN 0.639 nan 8.210 nan 0.000 0.438 55 R N 4.074 124.464 120.500 -0.184 0.000 3.151 55 R HA 0.644 4.963 4.340 -0.034 0.000 0.231 55 R C -1.033 175.270 176.300 0.005 0.000 1.511 55 R CA -1.100 55.000 56.100 0.001 0.000 1.047 55 R CB 1.638 31.967 30.300 0.048 0.000 1.565 55 R HN 0.771 nan 8.270 nan 0.000 0.513 56 N N -1.672 117.067 118.700 0.065 0.000 2.708 56 N HA 0.110 4.830 4.740 -0.034 0.000 0.257 56 N C -0.475 175.056 175.510 0.036 0.000 1.373 56 N CA -0.728 52.355 53.050 0.056 0.000 0.843 56 N CB 1.322 39.869 38.487 0.099 0.000 1.503 56 N HN 0.310 nan 8.380 nan 0.000 0.504 57 E N -0.148 120.065 120.200 0.020 0.000 2.481 57 E HA 0.047 4.376 4.350 -0.034 0.000 0.195 57 E C 1.181 177.774 176.600 -0.011 0.000 1.047 57 E CA 0.607 57.012 56.400 0.008 0.000 0.867 57 E CB 0.002 29.704 29.700 0.003 0.000 0.858 57 E HN 0.665 nan 8.360 nan 0.000 0.513 58 A N 1.037 123.846 122.820 -0.018 0.000 1.898 58 A HA 0.005 4.304 4.320 -0.034 0.000 0.214 58 A C 1.427 178.970 177.584 -0.067 0.000 1.183 58 A CA 0.665 52.675 52.037 -0.045 0.000 0.622 58 A CB 0.290 19.259 19.000 -0.053 0.000 0.824 58 A HN 0.024 nan 8.150 nan 0.000 0.444 59 R N -1.457 119.004 120.500 -0.064 0.000 2.629 59 R HA 0.187 4.507 4.340 -0.034 0.000 0.266 59 R C -1.580 174.713 176.300 -0.012 0.000 1.051 59 R CA -0.632 55.404 56.100 -0.106 0.000 0.895 59 R CB 0.832 30.959 30.300 -0.288 0.000 1.246 59 R HN 0.191 nan 8.270 nan 0.000 0.459 60 N N 2.432 121.154 118.700 0.037 0.000 3.167 60 N HA 0.044 4.763 4.740 -0.034 0.000 0.318 60 N C -1.322 174.392 175.510 0.341 0.000 1.268 60 N CA 0.520 53.656 53.050 0.143 0.000 1.197 60 N CB -0.376 38.182 38.487 0.118 0.000 1.464 60 N HN 0.359 nan 8.380 nan 0.000 0.555 61 Y N -0.889 119.447 120.300 0.059 0.000 2.534 61 Y HA 0.468 4.997 4.550 -0.035 0.000 0.329 61 Y C 0.231 176.205 175.900 0.123 0.000 1.154 61 Y CA -1.412 56.735 58.100 0.079 0.000 1.192 61 Y CB 1.405 39.906 38.460 0.067 0.000 1.275 61 Y HN 0.030 nan 8.280 nan 0.000 0.491 62 c N 2.080 120.824 118.600 0.240 0.000 2.456 62 c HA 0.387 4.936 4.570 -0.034 0.000 0.325 62 c C -0.354 173.961 174.090 0.375 0.000 1.217 62 c CA -1.085 55.398 56.329 0.257 0.000 1.687 62 c CB 0.179 42.792 42.510 0.171 0.000 2.270 62 c HN 0.633 nan 8.230 nan 0.000 0.499 63 F N 2.419 122.438 119.950 0.115 0.000 2.571 63 F HA 0.245 4.752 4.527 -0.033 0.000 0.384 63 F C 0.940 176.938 175.800 0.329 0.000 1.058 63 F CA 0.613 58.684 58.000 0.118 0.000 1.200 63 F CB 0.641 39.563 39.000 -0.130 0.000 1.077 63 F HN 0.502 nan 8.300 nan 0.000 0.558 64 T N 5.169 119.938 114.554 0.359 0.000 3.011 64 T HA 0.262 4.591 4.350 -0.034 0.000 0.303 64 T C -2.758 172.054 174.700 0.187 0.000 0.997 64 T CA -1.611 60.639 62.100 0.250 0.000 1.007 64 T CB 1.899 70.829 68.868 0.104 0.000 1.017 64 T HN 0.125 nan 8.240 nan 0.000 0.443 65 P HA 0.250 nan 4.420 nan 0.000 0.276 65 P C -0.384 176.945 177.300 0.048 0.000 1.235 65 P CA -0.360 62.806 63.100 0.110 0.000 0.772 65 P CB 0.486 32.224 31.700 0.063 0.000 0.871 66 D N 2.829 123.253 120.400 0.040 0.000 2.688 66 D HA 0.385 5.005 4.640 -0.034 0.000 0.228 66 D C 0.769 177.077 176.300 0.013 0.000 1.116 66 D CA 0.621 54.632 54.000 0.019 0.000 1.023 66 D CB -0.981 39.828 40.800 0.015 0.000 1.100 66 D HN 0.609 nan 8.370 nan 0.000 0.487 67 G N 0.276 109.078 108.800 0.004 0.000 2.373 67 G HA2 0.020 3.960 3.960 -0.034 0.000 0.634 67 G HA3 0.020 3.960 3.960 -0.034 0.000 0.634 67 G C -0.251 174.644 174.900 -0.008 0.000 1.267 67 G CA -0.351 44.747 45.100 -0.003 0.000 1.008 67 G HN 0.590 nan 8.290 nan 0.000 0.497 68 S N -0.395 115.298 115.700 -0.012 0.000 2.681 68 S HA 0.892 5.342 4.470 -0.034 0.000 0.270 68 S C 1.372 175.967 174.600 -0.008 0.000 1.209 68 S CA 0.783 58.972 58.200 -0.018 0.000 0.988 68 S CB 1.118 64.304 63.200 -0.024 0.000 1.006 68 S HN 2.911 nan 8.310 nan 0.000 0.558 69 G N 1.237 110.026 108.800 -0.017 0.000 2.562 69 G HA2 -0.238 3.702 3.960 -0.034 0.000 0.250 69 G HA3 -0.238 3.702 3.960 -0.034 0.000 0.250 69 G C -0.679 174.221 174.900 0.000 0.000 1.269 69 G CA -0.178 44.912 45.100 -0.018 0.000 0.919 69 G HN 0.884 nan 8.290 nan 0.000 0.574 70 N N 2.163 120.869 118.700 0.010 0.000 2.549 70 N HA 0.515 5.234 4.740 -0.034 0.000 0.267 70 N C 0.545 176.116 175.510 0.102 0.000 1.182 70 N CA 0.874 53.970 53.050 0.077 0.000 1.019 70 N CB 0.487 39.046 38.487 0.120 0.000 1.380 70 N HN 1.012 nan 8.380 nan 0.000 0.505 71 A N 1.616 124.490 122.820 0.090 0.000 2.288 71 A HA 0.445 4.745 4.320 -0.034 0.000 0.328 71 A C 0.456 178.091 177.584 0.085 0.000 1.123 71 A CA -0.765 51.316 52.037 0.074 0.000 0.861 71 A CB 0.803 19.832 19.000 0.050 0.000 1.272 71 A HN 0.490 nan 8.150 nan 0.000 0.490 72 N N -0.580 118.156 118.700 0.060 0.000 2.479 72 N HA 0.334 5.053 4.740 -0.034 0.000 0.257 72 N C -0.865 174.675 175.510 0.050 0.000 1.232 72 N CA 0.304 53.382 53.050 0.047 0.000 0.920 72 N CB 0.708 39.209 38.487 0.025 0.000 1.105 72 N HN 0.299 nan 8.380 nan 0.000 0.444 73 V N 4.207 124.138 119.914 0.027 0.000 2.513 73 V HA 0.499 4.599 4.120 -0.034 0.000 0.299 73 V C 0.082 176.125 176.094 -0.086 0.000 1.035 73 V CA -0.427 61.878 62.300 0.008 0.000 0.889 73 V CB 1.219 33.051 31.823 0.014 0.000 0.988 73 V HN 0.701 nan 8.190 nan 0.000 0.440 74 M N 2.233 121.787 119.600 -0.077 0.000 2.667 74 M HA 0.430 4.889 4.480 -0.034 0.000 0.286 74 M C -0.504 175.739 176.300 -0.095 0.000 1.270 74 M CA -0.585 54.654 55.300 -0.102 0.000 0.826 74 M CB 2.445 35.024 32.600 -0.034 0.000 1.743 74 M HN 0.513 nan 8.290 nan 0.000 0.460 75 S N 0.958 116.623 115.700 -0.058 0.000 2.410 75 S HA 0.595 5.044 4.470 -0.034 0.000 0.304 75 S C -0.920 173.779 174.600 0.165 0.000 1.095 75 S CA -0.267 57.981 58.200 0.079 0.000 1.089 75 S CB 0.218 63.486 63.200 0.115 0.000 0.968 75 S HN 0.601 nan 8.310 nan 0.000 0.480 76 S N 5.112 120.824 115.700 0.020 0.000 2.632 76 S HA 0.631 5.081 4.470 -0.034 0.000 0.289 76 S C -2.898 171.222 174.600 -0.800 0.000 1.115 76 S CA -1.297 56.725 58.200 -0.297 0.000 0.889 76 S CB 1.533 64.644 63.200 -0.148 0.000 1.116 76 S HN 0.487 nan 8.310 nan 0.000 0.486 77 P HA 0.074 nan 4.420 nan 0.000 0.263 77 P C -0.808 176.300 177.300 -0.319 0.000 1.175 77 P CA -0.072 62.511 63.100 -0.862 0.000 0.761 77 P CB -0.090 31.331 31.700 -0.465 0.000 0.794 78 c N 3.137 121.655 118.600 -0.137 0.000 2.585 78 c HA 0.203 4.752 4.570 -0.034 0.000 0.406 78 c C 0.831 174.914 174.090 -0.012 0.000 1.312 78 c CA 0.035 56.352 56.329 -0.021 0.000 1.924 78 c CB -0.493 42.047 42.510 0.049 0.000 2.578 78 c HN 0.489 nan 8.230 nan 0.000 0.580 79 T N 5.006 119.556 114.554 -0.006 0.000 2.727 79 T HA 0.290 4.619 4.350 -0.034 0.000 0.298 79 T C 0.989 175.704 174.700 0.025 0.000 0.942 79 T CA -0.101 62.003 62.100 0.006 0.000 0.997 79 T CB 0.251 69.114 68.868 -0.009 0.000 0.917 79 T HN 0.509 nan 8.240 nan 0.000 0.487 80 L N 1.978 123.236 121.223 0.060 0.000 2.575 80 L HA 0.400 4.720 4.340 -0.034 0.000 0.228 80 L C -0.080 176.834 176.870 0.074 0.000 1.075 80 L CA 0.134 55.016 54.840 0.070 0.000 0.867 80 L CB 0.240 42.365 42.059 0.110 0.000 1.097 80 L HN 0.514 nan 8.230 nan 0.000 0.485 81 Y N 0.866 121.148 120.300 -0.029 0.000 2.442 81 Y HA 0.335 4.865 4.550 -0.034 0.000 0.344 81 Y C -1.422 174.458 175.900 -0.033 0.000 0.976 81 Y CA -1.590 56.489 58.100 -0.036 0.000 1.040 81 Y CB 1.801 40.241 38.460 -0.034 0.000 1.228 81 Y HN -0.199 nan 8.280 nan 0.000 0.451 82 P HA -0.096 nan 4.420 nan 0.000 0.220 82 P C -0.867 176.189 177.300 -0.407 0.000 1.148 82 P CA 1.183 64.119 63.100 -0.274 0.000 0.803 82 P CB 0.677 32.307 31.700 -0.118 0.000 0.782 83 E N -1.103 118.975 120.200 -0.204 0.000 2.445 83 E HA 0.460 4.789 4.350 -0.034 0.000 0.279 83 E C -0.938 175.608 176.600 -0.090 0.000 1.018 83 E CA -1.080 55.216 56.400 -0.174 0.000 0.816 83 E CB 0.652 30.261 29.700 -0.151 0.000 1.356 83 E HN -0.179 nan 8.360 nan 0.000 0.462 84 I N 2.567 123.095 120.570 -0.071 0.000 2.587 84 I HA 0.160 4.310 4.170 -0.034 0.000 0.284 84 I C -1.803 174.281 176.117 -0.055 0.000 1.134 84 I CA -1.538 59.738 61.300 -0.041 0.000 1.410 84 I CB 0.101 38.089 38.000 -0.020 0.000 1.392 84 I HN 0.376 nan 8.210 nan 0.000 0.545 85 P HA 0.065 nan 4.420 nan 0.000 0.274 85 P C 0.521 177.764 177.300 -0.095 0.000 1.231 85 P CA -0.416 62.642 63.100 -0.070 0.000 0.790 85 P CB 1.009 32.671 31.700 -0.063 0.000 0.951 86 S N 0.459 116.094 115.700 -0.107 0.000 2.469 86 S HA -0.143 4.306 4.470 -0.034 0.000 0.238 86 S C 1.676 176.142 174.600 -0.223 0.000 0.998 86 S CA 1.277 59.391 58.200 -0.143 0.000 0.957 86 S CB -1.319 61.810 63.200 -0.120 0.000 0.764 86 S HN 0.588 nan 8.310 nan 0.000 0.514 87 S N 1.158 116.737 115.700 -0.200 0.000 2.453 87 S HA 0.023 4.472 4.470 -0.034 0.000 0.231 87 S C 1.609 176.014 174.600 -0.325 0.000 1.005 87 S CA 0.295 58.341 58.200 -0.257 0.000 0.949 87 S CB -0.463 62.644 63.200 -0.155 0.000 0.774 87 S HN 0.636 nan 8.310 nan 0.000 0.510 88 Q N 0.344 120.016 119.800 -0.213 0.000 2.246 88 Q HA 0.299 4.619 4.340 -0.034 0.000 0.202 88 Q C -0.250 175.664 176.000 -0.144 0.000 0.883 88 Q CA -0.081 55.658 55.803 -0.106 0.000 0.952 88 Q CB 0.429 29.177 28.738 0.018 0.000 1.078 88 Q HN 0.479 nan 8.270 nan 0.000 0.493 89 R N -0.526 119.755 120.500 -0.366 0.000 2.711 89 R HA 0.495 4.815 4.340 -0.034 0.000 0.284 89 R C -1.523 174.518 176.300 -0.431 0.000 0.968 89 R CA -0.383 55.583 56.100 -0.224 0.000 0.924 89 R CB 1.274 31.512 30.300 -0.103 0.000 1.162 89 R HN -0.032 nan 8.270 nan 0.000 0.465 90 W N 1.632 122.919 121.300 -0.022 0.000 3.032 90 W HA 0.475 5.116 4.660 -0.032 0.000 0.335 90 W C -0.304 176.201 176.519 -0.023 0.000 1.154 90 W CA -0.876 56.456 57.345 -0.022 0.000 1.204 90 W CB 1.227 30.664 29.460 -0.038 0.000 1.416 90 W HN 0.473 nan 8.180 nan 0.000 0.521 91 R N 0.708 121.331 120.500 0.206 0.000 2.832 91 R HA 0.663 4.982 4.340 -0.034 0.000 0.271 91 R C -0.733 175.637 176.300 0.116 0.000 0.996 91 R CA -1.048 55.125 56.100 0.123 0.000 0.977 91 R CB 1.530 31.872 30.300 0.071 0.000 1.168 91 R HN 0.532 nan 8.270 nan 0.000 0.482 92 Q N 0.505 120.355 119.800 0.082 0.000 2.332 92 Q HA 0.245 4.565 4.340 -0.034 0.000 0.263 92 Q C 0.211 176.246 176.000 0.059 0.000 0.979 92 Q CA 0.205 56.050 55.803 0.071 0.000 0.885 92 Q CB 1.631 30.409 28.738 0.068 0.000 1.218 92 Q HN 0.836 nan 8.270 nan 0.000 0.405 93 G N 2.088 110.913 108.800 0.043 0.000 3.075 93 G HA2 0.263 4.203 3.960 -0.034 0.000 0.156 93 G HA3 0.263 4.203 3.960 -0.034 0.000 0.156 93 G C -0.393 174.533 174.900 0.043 0.000 1.403 93 G CA -0.698 44.419 45.100 0.028 0.000 1.033 93 G HN 0.516 nan 8.290 nan 0.000 0.589 94 R N 0.245 120.772 120.500 0.044 0.000 2.756 94 R HA 0.242 4.561 4.340 -0.034 0.000 0.264 94 R C 0.545 176.975 176.300 0.217 0.000 1.026 94 R CA 0.262 56.435 56.100 0.123 0.000 1.121 94 R CB 0.376 30.780 30.300 0.174 0.000 0.999 94 R HN 0.615 nan 8.270 nan 0.000 0.449 95 R N 1.232 121.853 120.500 0.201 0.000 2.732 95 R HA 0.453 4.773 4.340 -0.034 0.000 0.278 95 R C -1.017 175.317 176.300 0.057 0.000 0.976 95 R CA -0.901 55.301 56.100 0.171 0.000 0.963 95 R CB 1.641 31.998 30.300 0.094 0.000 1.150 95 R HN 0.422 nan 8.270 nan 0.000 0.478 96 K N 1.783 122.137 120.400 -0.077 0.000 2.471 96 K HA 0.246 4.546 4.320 -0.034 0.000 0.252 96 K C -1.075 175.441 176.600 -0.139 0.000 0.938 96 K CA -0.757 55.335 56.287 -0.325 0.000 0.796 96 K CB 2.540 34.447 32.500 -0.989 0.000 1.161 96 K HN 0.871 nan 8.250 nan 0.000 0.425 97 T N 0.023 114.561 114.554 -0.026 0.000 2.859 97 T HA 0.771 5.100 4.350 -0.034 0.000 0.281 97 T C -0.328 174.509 174.700 0.229 0.000 1.005 97 T CA -0.703 61.445 62.100 0.080 0.000 1.025 97 T CB 0.402 69.283 68.868 0.023 0.000 0.977 97 T HN 0.524 nan 8.240 nan 0.000 0.458 98 F N -1.242 118.709 119.950 0.001 0.000 2.713 98 F HA 0.706 5.239 4.527 0.010 0.000 0.311 98 F C -1.211 174.567 175.800 -0.036 0.000 1.141 98 F CA -1.131 56.883 58.000 0.024 0.000 0.939 98 F CB 1.135 40.217 39.000 0.136 0.000 1.325 98 F HN 0.524 nan 8.300 nan 0.000 0.453 99 T N 2.180 116.674 114.554 -0.101 0.000 2.756 99 T HA 0.327 4.657 4.350 -0.034 0.000 0.290 99 T C -0.652 173.967 174.700 -0.136 0.000 0.985 99 T CA -0.504 61.468 62.100 -0.215 0.000 0.955 99 T CB 0.730 69.556 68.868 -0.070 0.000 0.930 99 T HN 0.744 nan 8.240 nan 0.000 0.451 100 D N 2.419 122.641 120.400 -0.295 0.000 2.393 100 D HA 0.070 4.689 4.640 -0.034 0.000 0.246 100 D C 0.945 177.255 176.300 0.017 0.000 1.275 100 D CA -0.613 53.364 54.000 -0.039 0.000 0.979 100 D CB 0.544 41.306 40.800 -0.065 0.000 1.101 100 D HN 0.113 nan 8.370 nan 0.000 0.505 101 N N -0.919 117.815 118.700 0.056 0.000 2.459 101 N HA 0.021 4.741 4.740 -0.034 0.000 0.181 101 N C 1.646 177.173 175.510 0.028 0.000 1.046 101 N CA 0.987 54.060 53.050 0.038 0.000 0.904 101 N CB -0.231 38.280 38.487 0.040 0.000 0.964 101 N HN 0.701 nan 8.380 nan 0.000 0.444 102 G N -0.623 108.195 108.800 0.030 0.000 2.920 102 G HA2 0.231 4.170 3.960 -0.034 0.000 0.208 102 G HA3 0.231 4.170 3.960 -0.034 0.000 0.208 102 G C 0.955 175.865 174.900 0.017 0.000 1.159 102 G CA 0.383 45.504 45.100 0.035 0.000 0.784 102 G HN 0.390 nan 8.290 nan 0.000 0.535 103 G N -0.266 108.530 108.800 -0.007 0.000 2.136 103 G HA2 -0.230 3.710 3.960 -0.034 0.000 0.242 103 G HA3 -0.230 3.710 3.960 -0.034 0.000 0.242 103 G C 0.099 174.970 174.900 -0.050 0.000 0.989 103 G CA 0.045 45.133 45.100 -0.021 0.000 0.682 103 G HN 0.289 nan 8.290 nan 0.000 0.522 104 I N 0.902 121.422 120.570 -0.084 0.000 2.359 104 I HA 0.360 4.509 4.170 -0.034 0.000 0.294 104 I C 0.635 176.621 176.117 -0.218 0.000 0.987 104 I CA -1.348 59.885 61.300 -0.112 0.000 1.225 104 I CB 1.506 39.456 38.000 -0.083 0.000 1.366 104 I HN 0.169 nan 8.210 nan 0.000 0.466 105 E N 6.118 126.206 120.200 -0.186 0.000 2.324 105 E HA 0.090 4.419 4.350 -0.034 0.000 0.271 105 E C -0.809 175.612 176.600 -0.300 0.000 1.028 105 E CA -0.221 56.031 56.400 -0.247 0.000 0.890 105 E CB 0.807 30.425 29.700 -0.137 0.000 1.004 105 E HN 0.418 nan 8.360 nan 0.000 0.431 106 Q N 1.907 121.390 119.800 -0.529 0.000 2.351 106 Q HA 0.491 4.811 4.340 -0.034 0.000 0.273 106 Q C -0.858 175.013 176.000 -0.214 0.000 1.077 106 Q CA -1.020 54.506 55.803 -0.462 0.000 0.843 106 Q CB 2.352 30.484 28.738 -1.008 0.000 1.367 106 Q HN 0.291 nan 8.270 nan 0.000 0.449 107 V N 0.698 120.616 119.914 0.007 0.000 2.443 107 V HA 0.650 4.749 4.120 -0.034 0.000 0.293 107 V C -0.581 175.654 176.094 0.236 0.000 1.021 107 V CA -0.810 61.551 62.300 0.102 0.000 0.848 107 V CB 1.386 33.257 31.823 0.080 0.000 0.998 107 V HN 0.832 nan 8.190 nan 0.000 0.424 108 A N 3.755 126.721 122.820 0.243 0.000 2.312 108 A HA 0.963 5.262 4.320 -0.034 0.000 0.326 108 A C 0.187 177.932 177.584 0.268 0.000 1.172 108 A CA -0.216 52.009 52.037 0.312 0.000 0.821 108 A CB 1.405 20.546 19.000 0.235 0.000 1.166 108 A HN 1.012 nan 8.150 nan 0.000 0.493 109 T N -0.410 114.320 114.554 0.294 0.000 2.896 109 T HA 0.581 4.911 4.350 -0.034 0.000 0.297 109 T C -0.527 174.205 174.700 0.054 0.000 1.108 109 T CA -0.748 61.474 62.100 0.203 0.000 1.004 109 T CB 1.007 69.955 68.868 0.134 0.000 1.159 109 T HN 0.643 nan 8.240 nan 0.000 0.499 110 E N 0.755 120.813 120.200 -0.236 0.000 2.415 110 E HA 0.301 4.630 4.350 -0.034 0.000 0.262 110 E C -0.497 176.120 176.600 0.028 0.000 1.038 110 E CA -0.033 56.231 56.400 -0.226 0.000 0.921 110 E CB 0.597 30.126 29.700 -0.285 0.000 0.950 110 E HN 0.480 nan 8.360 nan 0.000 0.438 111 I N 4.065 124.700 120.570 0.108 0.000 2.382 111 I HA 0.274 4.424 4.170 -0.034 0.000 0.285 111 I C -0.459 175.804 176.117 0.243 0.000 1.007 111 I CA -0.363 60.999 61.300 0.103 0.000 1.142 111 I CB 0.759 38.696 38.000 -0.105 0.000 1.289 111 I HN 0.279 nan 8.210 nan 0.000 0.453 112 I N 6.067 126.804 120.570 0.279 0.000 2.354 112 I HA 0.232 4.382 4.170 -0.034 0.000 0.292 112 I C 0.364 176.633 176.117 0.253 0.000 0.989 112 I CA -0.556 60.894 61.300 0.250 0.000 1.188 112 I CB 1.284 39.352 38.000 0.113 0.000 1.342 112 I HN 0.565 nan 8.210 nan 0.000 0.457 113 N N 6.279 125.039 118.700 0.101 0.000 2.483 113 N HA 0.090 4.810 4.740 -0.034 0.000 0.264 113 N C 0.831 176.182 175.510 -0.264 0.000 1.197 113 N CA 0.001 52.799 53.050 -0.419 0.000 0.927 113 N CB 1.163 39.293 38.487 -0.594 0.000 1.065 113 N HN 0.652 nan 8.380 nan 0.000 0.461 114 L N 2.985 124.015 121.223 -0.321 0.000 2.156 114 L HA -0.124 4.196 4.340 -0.034 0.000 0.208 114 L C 2.246 179.018 176.870 -0.164 0.000 1.095 114 L CA 0.972 55.701 54.840 -0.185 0.000 0.770 114 L CB -0.499 41.465 42.059 -0.159 0.000 0.914 114 L HN 0.631 nan 8.230 nan 0.000 0.439 115 A N 0.289 122.983 122.820 -0.210 0.000 1.854 115 A HA -0.160 4.139 4.320 -0.034 0.000 0.214 115 A C 2.445 179.958 177.584 -0.118 0.000 1.192 115 A CA 1.839 53.784 52.037 -0.152 0.000 0.611 115 A CB -0.471 18.432 19.000 -0.161 0.000 0.832 115 A HN 0.474 nan 8.150 nan 0.000 0.442 116 S N -2.484 113.138 115.700 -0.130 0.000 2.503 116 S HA 0.382 4.831 4.470 -0.034 0.000 0.215 116 S C 1.525 176.087 174.600 -0.064 0.000 1.003 116 S CA 1.160 59.308 58.200 -0.088 0.000 0.910 116 S CB -0.036 63.114 63.200 -0.082 0.000 0.790 116 S HN 1.940 nan 8.310 nan 0.000 0.514 117 G N 1.347 110.108 108.800 -0.065 0.000 2.168 117 G HA2 -0.301 3.639 3.960 -0.034 0.000 0.263 117 G HA3 -0.301 3.639 3.960 -0.034 0.000 0.263 117 G C 0.002 174.902 174.900 -0.000 0.000 0.977 117 G CA 0.613 45.696 45.100 -0.029 0.000 0.659 117 G HN 0.606 nan 8.290 nan 0.000 0.533 118 K N -0.585 119.817 120.400 0.003 0.000 2.154 118 K HA 0.525 4.824 4.320 -0.034 0.000 0.264 118 K C 0.436 177.118 176.600 0.137 0.000 1.008 118 K CA -0.517 55.800 56.287 0.051 0.000 0.937 118 K CB 1.011 33.537 32.500 0.042 0.000 1.002 118 K HN 0.154 nan 8.250 nan 0.000 0.469 119 c N 2.482 121.184 118.600 0.169 0.000 2.401 119 c HA 0.234 4.784 4.570 -0.034 0.000 0.365 119 c C 0.073 174.332 174.090 0.281 0.000 1.250 119 c CA -0.822 55.635 56.329 0.212 0.000 2.131 119 c CB -0.039 42.569 42.510 0.163 0.000 2.445 119 c HN 0.659 nan 8.230 nan 0.000 0.550 120 L N 3.687 125.078 121.223 0.280 0.000 2.525 120 L HA 0.225 4.544 4.340 -0.034 0.000 0.278 120 L C -0.093 176.970 176.870 0.322 0.000 1.218 120 L CA 1.268 56.207 54.840 0.165 0.000 0.878 120 L CB 0.120 42.032 42.059 -0.245 0.000 1.127 120 L HN 0.829 nan 8.230 nan 0.000 0.492 121 D N 3.533 124.103 120.400 0.283 0.000 2.753 121 D HA 0.477 5.096 4.640 -0.034 0.000 0.224 121 D C -1.215 175.214 176.300 0.216 0.000 1.213 121 D CA -0.459 53.708 54.000 0.277 0.000 0.833 121 D CB 1.130 42.062 40.800 0.219 0.000 1.607 121 D HN 0.433 nan 8.370 nan 0.000 0.463 122 I N 2.338 123.010 120.570 0.170 0.000 2.392 122 I HA 0.262 4.412 4.170 -0.034 0.000 0.295 122 I C 0.320 176.442 176.117 0.009 0.000 0.985 122 I CA -0.933 60.426 61.300 0.097 0.000 1.221 122 I CB 1.658 39.715 38.000 0.095 0.000 1.366 122 I HN 0.445 nan 8.210 nan 0.000 0.467 123 E N 4.945 125.139 120.200 -0.010 0.000 2.502 123 E HA 0.362 4.691 4.350 -0.034 0.000 0.261 123 E C 0.730 177.294 176.600 -0.060 0.000 0.974 123 E CA 0.129 56.495 56.400 -0.057 0.000 0.936 123 E CB 0.275 29.955 29.700 -0.034 0.000 0.926 123 E HN 0.881 nan 8.360 nan 0.000 0.459 124 G N 2.940 111.682 108.800 -0.096 0.000 2.512 124 G HA2 -0.364 3.576 3.960 -0.034 0.000 0.254 124 G HA3 -0.364 3.576 3.960 -0.034 0.000 0.254 124 G C 0.566 175.430 174.900 -0.060 0.000 1.199 124 G CA 0.670 45.728 45.100 -0.071 0.000 0.941 124 G HN 1.304 nan 8.290 nan 0.000 0.569 125 S N -0.827 114.852 115.700 -0.036 0.000 2.684 125 S HA 0.244 4.693 4.470 -0.034 0.000 0.268 125 S C 1.115 175.700 174.600 -0.025 0.000 1.075 125 S CA 1.119 59.305 58.200 -0.024 0.000 1.184 125 S CB 0.627 63.817 63.200 -0.018 0.000 1.129 125 S HN 1.167 nan 8.310 nan 0.000 0.630 126 D N 1.693 122.077 120.400 -0.028 0.000 2.339 126 D HA 0.277 4.896 4.640 -0.034 0.000 0.217 126 D C 1.457 177.735 176.300 -0.038 0.000 1.050 126 D CA 0.707 54.686 54.000 -0.034 0.000 0.856 126 D CB -0.554 40.227 40.800 -0.031 0.000 0.922 126 D HN 0.681 nan 8.370 nan 0.000 0.518 127 G N 0.326 109.108 108.800 -0.030 0.000 2.153 127 G HA2 -0.237 3.703 3.960 -0.034 0.000 0.252 127 G HA3 -0.237 3.703 3.960 -0.034 0.000 0.252 127 G C 0.312 175.208 174.900 -0.006 0.000 0.994 127 G CA 0.728 45.812 45.100 -0.028 0.000 0.698 127 G HN 0.903 nan 8.290 nan 0.000 0.521 128 T N -2.668 111.884 114.554 -0.003 0.000 2.861 128 T HA 0.946 5.275 4.350 -0.034 0.000 0.287 128 T C 0.452 175.161 174.700 0.016 0.000 1.003 128 T CA 0.511 62.617 62.100 0.009 0.000 0.977 128 T CB 2.749 71.614 68.868 -0.006 0.000 0.996 128 T HN 2.267 nan 8.240 nan 0.000 0.448 129 G N 2.128 110.947 108.800 0.032 0.000 2.298 129 G HA2 0.153 4.093 3.960 -0.034 0.000 0.309 129 G HA3 0.153 4.093 3.960 -0.034 0.000 0.309 129 G C -1.617 173.305 174.900 0.037 0.000 1.279 129 G CA -0.827 44.291 45.100 0.030 0.000 1.042 129 G HN 0.844 nan 8.290 nan 0.000 0.480 130 D N 0.286 120.701 120.400 0.024 0.000 2.472 130 D HA 0.407 5.027 4.640 -0.034 0.000 0.237 130 D C 0.466 176.781 176.300 0.025 0.000 1.141 130 D CA 0.694 54.705 54.000 0.018 0.000 0.875 130 D CB 0.871 41.678 40.800 0.012 0.000 1.192 130 D HN 0.474 nan 8.370 nan 0.000 0.450 131 I N 1.219 121.796 120.570 0.011 0.000 2.404 131 I HA 0.548 4.698 4.170 -0.034 0.000 0.293 131 I C 0.999 177.123 176.117 0.012 0.000 0.992 131 I CA -0.208 61.103 61.300 0.017 0.000 1.149 131 I CB 1.855 39.841 38.000 -0.024 0.000 1.315 131 I HN 0.373 nan 8.210 nan 0.000 0.446 132 G N 4.626 113.463 108.800 0.062 0.000 2.846 132 G HA2 0.637 4.577 3.960 -0.034 0.000 0.299 132 G HA3 0.637 4.577 3.960 -0.034 0.000 0.299 132 G C -1.223 173.778 174.900 0.170 0.000 1.242 132 G CA -0.422 44.737 45.100 0.098 0.000 0.800 132 G HN 0.503 nan 8.290 nan 0.000 0.538 133 V N -2.327 117.710 119.914 0.206 0.000 2.581 133 V HA 0.904 5.003 4.120 -0.034 0.000 0.303 133 V C -0.979 175.283 176.094 0.279 0.000 1.041 133 V CA -0.967 61.482 62.300 0.247 0.000 0.907 133 V CB 1.325 33.286 31.823 0.230 0.000 0.994 133 V HN 0.973 nan 8.190 nan 0.000 0.442 134 Y N 0.576 120.938 120.300 0.103 0.000 2.638 134 Y HA 0.441 4.970 4.550 -0.035 0.000 0.335 134 Y C -0.331 175.612 175.900 0.071 0.000 1.155 134 Y CA -0.884 57.261 58.100 0.076 0.000 1.046 134 Y CB 1.926 40.432 38.460 0.077 0.000 1.303 134 Y HN 0.862 nan 8.280 nan 0.000 0.460 135 D N 2.118 122.359 120.400 -0.265 0.000 2.533 135 D HA 0.008 4.627 4.640 -0.034 0.000 0.236 135 D C -0.308 176.049 176.300 0.095 0.000 1.137 135 D CA 0.680 54.610 54.000 -0.117 0.000 0.867 135 D CB 0.519 41.168 40.800 -0.253 0.000 1.170 135 D HN 0.461 nan 8.370 nan 0.000 0.474 136 c N 2.737 121.383 118.600 0.077 0.000 2.651 136 c HA 0.029 4.579 4.570 -0.034 0.000 0.410 136 c C 1.378 175.531 174.090 0.106 0.000 1.372 136 c CA -0.299 56.089 56.329 0.097 0.000 1.707 136 c CB -0.924 41.620 42.510 0.057 0.000 2.501 136 c HN 0.558 nan 8.230 nan 0.000 0.598 137 Q N 0.947 120.829 119.800 0.138 0.000 2.139 137 Q HA 0.209 4.528 4.340 -0.034 0.000 0.219 137 Q C 0.450 176.531 176.000 0.135 0.000 0.805 137 Q CA -0.095 55.789 55.803 0.135 0.000 1.024 137 Q CB -0.302 28.535 28.738 0.165 0.000 1.163 137 Q HN 0.669 nan 8.270 nan 0.000 0.485 138 N N -0.706 118.089 118.700 0.158 0.000 2.900 138 N HA -0.180 4.539 4.740 -0.034 0.000 0.240 138 N C -0.843 174.838 175.510 0.285 0.000 0.953 138 N CA 0.986 54.176 53.050 0.234 0.000 0.950 138 N CB -1.749 36.833 38.487 0.157 0.000 1.102 138 N HN 0.396 nan 8.380 nan 0.000 0.593 139 L N 0.980 122.338 121.223 0.226 0.000 2.418 139 L HA 0.158 4.478 4.340 -0.034 0.000 0.265 139 L C 1.439 178.468 176.870 0.265 0.000 1.143 139 L CA -0.483 54.465 54.840 0.180 0.000 0.809 139 L CB 0.411 42.538 42.059 0.113 0.000 1.124 139 L HN -0.131 nan 8.230 nan 0.000 0.456 140 D N 0.741 121.252 120.400 0.184 0.000 2.190 140 D HA -0.206 4.414 4.640 -0.034 0.000 0.200 140 D C 1.354 177.793 176.300 0.232 0.000 0.992 140 D CA 1.465 55.623 54.000 0.263 0.000 0.854 140 D CB -0.059 40.852 40.800 0.186 0.000 0.936 140 D HN 0.631 nan 8.370 nan 0.000 0.462 141 D N -0.144 120.314 120.400 0.097 0.000 2.349 141 D HA -0.107 4.512 4.640 -0.034 0.000 0.224 141 D C 0.936 177.190 176.300 -0.077 0.000 1.029 141 D CA 0.252 54.236 54.000 -0.027 0.000 0.879 141 D CB -0.228 40.565 40.800 -0.013 0.000 0.906 141 D HN 0.241 nan 8.370 nan 0.000 0.528 142 Q N -0.635 119.188 119.800 0.038 0.000 2.188 142 Q HA 0.125 4.444 4.340 -0.034 0.000 0.212 142 Q C -0.840 175.078 176.000 -0.136 0.000 0.846 142 Q CA -0.220 55.599 55.803 0.028 0.000 0.989 142 Q CB 0.501 29.288 28.738 0.083 0.000 1.114 142 Q HN 0.280 nan 8.270 nan 0.000 0.488 143 Y N -0.453 119.681 120.300 -0.277 0.000 2.393 143 Y HA 0.444 4.973 4.550 -0.035 0.000 0.341 143 Y C -0.583 175.088 175.900 -0.382 0.000 0.988 143 Y CA -0.894 57.108 58.100 -0.164 0.000 1.078 143 Y CB 1.096 39.450 38.460 -0.177 0.000 1.203 143 Y HN -0.098 nan 8.280 nan 0.000 0.453 144 F N 2.715 122.833 119.950 0.280 0.000 2.569 144 F HA 0.443 4.948 4.527 -0.037 0.000 0.312 144 F C -0.935 175.046 175.800 0.301 0.000 1.109 144 F CA -1.500 56.642 58.000 0.236 0.000 0.919 144 F CB 1.390 40.443 39.000 0.088 0.000 1.211 144 F HN 0.377 nan 8.300 nan 0.000 0.446 145 Y N -0.029 120.486 120.300 0.359 0.000 2.429 145 Y HA 0.816 5.350 4.550 -0.027 0.000 0.342 145 Y C -1.097 174.924 175.900 0.203 0.000 1.004 145 Y CA -1.748 56.519 58.100 0.277 0.000 1.075 145 Y CB 0.871 39.534 38.460 0.338 0.000 1.214 145 Y HN 0.294 nan 8.280 nan 0.000 0.455 146 V N 5.382 125.424 119.914 0.214 0.000 2.455 146 V HA 0.183 4.282 4.120 -0.034 0.000 0.273 146 V C 0.516 176.713 176.094 0.172 0.000 1.045 146 V CA -0.620 61.736 62.300 0.094 0.000 0.976 146 V CB 0.454 32.314 31.823 0.062 0.000 0.993 146 V HN 0.797 nan 8.190 nan 0.000 0.475 147 R N 3.780 124.331 120.500 0.085 0.000 2.489 147 R HA 0.162 4.481 4.340 -0.034 0.000 0.287 147 R C 0.034 176.403 176.300 0.114 0.000 1.053 147 R CA 0.413 56.628 56.100 0.192 0.000 1.036 147 R CB 0.926 31.269 30.300 0.072 0.000 0.966 147 R HN 0.731 nan 8.270 nan 0.000 0.432 148 S N 3.369 119.140 115.700 0.118 0.000 2.475 148 S HA 0.349 4.798 4.470 -0.034 0.000 0.298 148 S C 0.722 175.319 174.600 -0.005 0.000 1.119 148 S CA -0.687 57.529 58.200 0.027 0.000 1.085 148 S CB 1.019 64.227 63.200 0.014 0.000 1.028 148 S HN 0.720 nan 8.310 nan 0.000 0.489 149 R N 2.698 123.161 120.500 -0.062 0.000 2.317 149 R HA 0.245 4.565 4.340 -0.034 0.000 0.208 149 R C 1.283 177.593 176.300 0.015 0.000 0.914 149 R CA 0.485 56.529 56.100 -0.094 0.000 1.060 149 R CB -0.297 29.760 30.300 -0.405 0.000 1.015 149 R HN 0.961 nan 8.270 nan 0.000 0.498 150 G N 2.008 110.818 108.800 0.017 0.000 2.796 150 G HA2 -0.235 3.705 3.960 -0.034 0.000 0.226 150 G HA3 -0.235 3.705 3.960 -0.034 0.000 0.226 150 G C -2.565 172.382 174.900 0.078 0.000 1.381 150 G CA -1.151 43.967 45.100 0.030 0.000 0.867 150 G HN 0.017 nan 8.290 nan 0.000 0.552 151 P HA 0.207 nan 4.420 nan 0.000 0.266 151 P C 0.058 177.360 177.300 0.003 0.000 1.195 151 P CA 0.222 63.322 63.100 0.001 0.000 0.768 151 P CB 0.567 32.227 31.700 -0.068 0.000 0.838 152 E N 2.503 122.674 120.200 -0.049 0.000 2.324 152 E HA 0.060 4.390 4.350 -0.034 0.000 0.271 152 E C 0.326 176.694 176.600 -0.386 0.000 1.028 152 E CA -0.160 56.037 56.400 -0.337 0.000 0.890 152 E CB 0.254 29.774 29.700 -0.301 0.000 1.004 152 E HN 0.378 nan 8.360 nan 0.000 0.431 153 L N 4.210 125.121 121.223 -0.520 0.000 2.269 153 L HA 0.247 4.567 4.340 -0.034 0.000 0.200 153 L C 0.141 176.326 176.870 -1.141 0.000 1.069 153 L CA 0.373 54.801 54.840 -0.687 0.000 0.804 153 L CB 0.218 41.963 42.059 -0.523 0.000 0.987 153 L HN 0.475 nan 8.230 nan 0.000 0.468 154 F N -1.911 117.686 119.950 -0.587 0.000 2.686 154 F HA 0.505 5.014 4.527 -0.029 0.000 0.311 154 F C -0.971 174.061 175.800 -1.281 0.000 1.128 154 F CA -1.110 56.209 58.000 -1.135 0.000 0.946 154 F CB 1.928 40.041 39.000 -1.478 0.000 1.336 154 F HN -0.154 nan 8.300 nan 0.000 0.457 155 Y N -0.967 118.569 120.300 -1.273 0.000 2.677 155 Y HA 0.870 5.396 4.550 -0.039 0.000 0.334 155 Y C -0.322 175.111 175.900 -0.779 0.000 1.196 155 Y CA -1.446 56.079 58.100 -0.959 0.000 1.059 155 Y CB 1.303 39.504 38.460 -0.432 0.000 1.315 155 Y HN 1.128 nan 8.280 nan 0.000 0.455 156 G N 0.903 109.187 108.800 -0.859 0.000 2.316 156 G HA2 0.171 4.111 3.960 -0.034 0.000 0.349 156 G HA3 0.171 4.111 3.960 -0.034 0.000 0.349 156 G C -1.615 172.979 174.900 -0.510 0.000 1.274 156 G CA -1.149 43.204 45.100 -1.246 0.000 1.018 156 G HN 0.787 nan 8.290 nan 0.000 0.486 157 R N -1.054 119.350 120.500 -0.159 0.000 2.577 157 R HA 0.638 4.958 4.340 -0.034 0.000 0.269 157 R C -0.298 176.017 176.300 0.026 0.000 1.084 157 R CA -0.403 55.746 56.100 0.082 0.000 1.163 157 R CB 0.600 30.995 30.300 0.158 0.000 1.100 157 R HN 0.360 nan 8.270 nan 0.000 0.547 158 L N 2.068 123.249 121.223 -0.070 0.000 2.318 158 L HA 0.405 4.724 4.340 -0.034 0.000 0.277 158 L C -0.093 176.798 176.870 0.034 0.000 1.008 158 L CA -0.422 54.262 54.840 -0.260 0.000 0.846 158 L CB 1.343 42.977 42.059 -0.710 0.000 1.220 158 L HN 0.415 nan 8.230 nan 0.000 0.423 159 R N 3.434 123.974 120.500 0.066 0.000 2.229 159 R HA 0.230 4.549 4.340 -0.034 0.000 0.328 159 R C -0.067 176.298 176.300 0.108 0.000 1.009 159 R CA -0.476 55.691 56.100 0.112 0.000 0.864 159 R CB 0.815 31.169 30.300 0.091 0.000 1.085 159 R HN 0.559 nan 8.270 nan 0.000 0.453 160 N N 2.817 121.498 118.700 -0.030 0.000 2.483 160 N HA -0.101 4.619 4.740 -0.034 0.000 0.264 160 N C 0.445 175.839 175.510 -0.194 0.000 1.197 160 N CA 0.324 53.149 53.050 -0.375 0.000 0.927 160 N CB 1.201 39.450 38.487 -0.397 0.000 1.065 160 N HN 0.796 nan 8.380 nan 0.000 0.461 161 E N 2.916 122.946 120.200 -0.283 0.000 2.110 161 E HA -0.240 4.090 4.350 -0.034 0.000 0.193 161 E C 1.241 177.633 176.600 -0.347 0.000 0.988 161 E CA 1.217 57.341 56.400 -0.461 0.000 0.804 161 E CB 0.192 29.516 29.700 -0.625 0.000 0.745 161 E HN 0.475 nan 8.360 nan 0.000 0.458 162 K N 0.465 120.699 120.400 -0.277 0.000 2.007 162 K HA -0.063 4.237 4.320 -0.034 0.000 0.206 162 K C 2.040 178.548 176.600 -0.154 0.000 1.047 162 K CA 2.032 58.197 56.287 -0.202 0.000 0.937 162 K CB -0.258 32.134 32.500 -0.180 0.000 0.718 162 K HN 0.136 nan 8.250 nan 0.000 0.438 163 S N -0.953 114.662 115.700 -0.142 0.000 2.502 163 S HA 0.125 4.574 4.470 -0.034 0.000 0.215 163 S C -0.033 174.525 174.600 -0.069 0.000 1.009 163 S CA 0.356 58.498 58.200 -0.097 0.000 0.908 163 S CB 0.057 63.205 63.200 -0.087 0.000 0.801 163 S HN 0.337 nan 8.310 nan 0.000 0.505 164 D N 0.491 120.854 120.400 -0.061 0.000 3.046 164 D HA -0.118 4.502 4.640 -0.034 0.000 0.210 164 D C -0.191 176.113 176.300 0.006 0.000 1.124 164 D CA 0.800 54.793 54.000 -0.011 0.000 0.986 164 D CB -1.732 39.062 40.800 -0.009 0.000 1.118 164 D HN 0.458 nan 8.370 nan 0.000 0.416 165 L N -0.240 120.979 121.223 -0.007 0.000 2.454 165 L HA 0.390 4.710 4.340 -0.034 0.000 0.256 165 L C 0.911 177.823 176.870 0.070 0.000 1.136 165 L CA -0.477 54.377 54.840 0.022 0.000 0.804 165 L CB 1.131 43.194 42.059 0.006 0.000 1.181 165 L HN 0.027 nan 8.230 nan 0.000 0.469 166 c N 1.330 119.996 118.600 0.109 0.000 2.391 166 c HA 0.355 4.905 4.570 -0.034 0.000 0.339 166 c C 0.387 174.568 174.090 0.153 0.000 1.205 166 c CA -0.932 55.480 56.329 0.138 0.000 1.937 166 c CB 1.317 43.917 42.510 0.149 0.000 2.341 166 c HN 0.522 nan 8.230 nan 0.000 0.516 167 L N 3.092 124.382 121.223 0.112 0.000 2.534 167 L HA 0.122 4.442 4.340 -0.034 0.000 0.271 167 L C -0.128 176.833 176.870 0.151 0.000 1.178 167 L CA 1.279 56.130 54.840 0.018 0.000 0.907 167 L CB 0.147 42.005 42.059 -0.335 0.000 1.164 167 L HN 0.825 nan 8.230 nan 0.000 0.482 168 D N 2.942 123.423 120.400 0.135 0.000 2.671 168 D HA 0.484 5.104 4.640 -0.034 0.000 0.232 168 D C -1.180 175.187 176.300 0.112 0.000 1.114 168 D CA -0.423 53.665 54.000 0.147 0.000 0.858 168 D CB 2.319 43.205 40.800 0.143 0.000 1.544 168 D HN 0.146 nan 8.370 nan 0.000 0.471 169 V N 2.781 122.744 119.914 0.083 0.000 2.435 169 V HA 0.296 4.395 4.120 -0.034 0.000 0.290 169 V C -0.010 176.069 176.094 -0.025 0.000 1.030 169 V CA -0.904 61.426 62.300 0.049 0.000 0.881 169 V CB 1.194 33.055 31.823 0.062 0.000 0.983 169 V HN 0.682 nan 8.190 nan 0.000 0.445 170 E N 3.925 124.106 120.200 -0.031 0.000 2.481 170 E HA 0.392 4.721 4.350 -0.034 0.000 0.263 170 E C 0.829 177.386 176.600 -0.072 0.000 0.992 170 E CA 0.400 56.755 56.400 -0.073 0.000 0.938 170 E CB 0.204 29.882 29.700 -0.036 0.000 0.933 170 E HN 1.230 nan 8.360 nan 0.000 0.453 171 G N 2.846 111.582 108.800 -0.106 0.000 2.528 171 G HA2 -0.333 3.606 3.960 -0.034 0.000 0.262 171 G HA3 -0.333 3.606 3.960 -0.034 0.000 0.262 171 G C 0.460 175.316 174.900 -0.074 0.000 1.200 171 G CA 0.592 45.645 45.100 -0.077 0.000 0.951 171 G HN 1.425 nan 8.290 nan 0.000 0.566 172 S N -0.729 114.943 115.700 -0.047 0.000 2.904 172 S HA 0.266 4.715 4.470 -0.034 0.000 0.260 172 S C 0.853 175.434 174.600 -0.031 0.000 1.000 172 S CA 1.018 59.195 58.200 -0.038 0.000 1.274 172 S CB 0.606 63.787 63.200 -0.031 0.000 1.196 172 S HN 1.175 nan 8.310 nan 0.000 0.678 173 D N 1.951 122.334 120.400 -0.028 0.000 2.340 173 D HA 0.223 4.843 4.640 -0.034 0.000 0.220 173 D C 1.410 177.696 176.300 -0.024 0.000 1.039 173 D CA 0.706 54.691 54.000 -0.026 0.000 0.866 173 D CB -0.621 40.166 40.800 -0.021 0.000 0.913 173 D HN 0.735 nan 8.370 nan 0.000 0.523 174 G N 0.378 109.164 108.800 -0.023 0.000 2.160 174 G HA2 -0.313 3.627 3.960 -0.034 0.000 0.251 174 G HA3 -0.313 3.627 3.960 -0.034 0.000 0.251 174 G C -0.039 174.867 174.900 0.009 0.000 1.008 174 G CA 0.347 45.435 45.100 -0.020 0.000 0.724 174 G HN 0.485 nan 8.290 nan 0.000 0.514 175 K N -0.646 119.761 120.400 0.012 0.000 2.316 175 K HA 0.697 4.996 4.320 -0.034 0.000 0.251 175 K C 0.765 177.389 176.600 0.040 0.000 0.934 175 K CA 0.045 56.348 56.287 0.027 0.000 0.802 175 K CB 2.068 34.572 32.500 0.008 0.000 1.171 175 K HN 1.335 nan 8.250 nan 0.000 0.426 176 G N 1.961 110.802 108.800 0.069 0.000 2.482 176 G HA2 -0.260 3.680 3.960 -0.034 0.000 0.214 176 G HA3 -0.260 3.680 3.960 -0.034 0.000 0.214 176 G C -0.913 174.034 174.900 0.079 0.000 1.271 176 G CA -0.598 44.547 45.100 0.075 0.000 0.944 176 G HN 0.647 nan 8.290 nan 0.000 0.568 177 N N -0.505 118.229 118.700 0.058 0.000 2.492 177 N HA 0.431 5.150 4.740 -0.034 0.000 0.260 177 N C 0.108 175.646 175.510 0.046 0.000 1.215 177 N CA 0.261 53.342 53.050 0.052 0.000 0.923 177 N CB 1.176 39.687 38.487 0.039 0.000 1.092 177 N HN 0.732 nan 8.380 nan 0.000 0.448 178 V N 4.603 124.542 119.914 0.042 0.000 2.472 178 V HA 0.566 4.666 4.120 -0.034 0.000 0.290 178 V C 0.168 176.274 176.094 0.020 0.000 1.037 178 V CA -0.532 61.785 62.300 0.027 0.000 0.908 178 V CB 0.515 32.328 31.823 -0.017 0.000 0.985 178 V HN 0.668 nan 8.190 nan 0.000 0.454 179 L N 2.430 123.675 121.223 0.035 0.000 2.720 179 L HA 0.753 5.073 4.340 -0.034 0.000 0.261 179 L C -0.988 175.939 176.870 0.095 0.000 1.046 179 L CA -1.065 53.810 54.840 0.058 0.000 0.886 179 L CB 2.023 44.123 42.059 0.069 0.000 1.493 179 L HN 0.308 nan 8.230 nan 0.000 0.407 180 M N 1.262 120.930 119.600 0.112 0.000 2.235 180 M HA 0.486 4.946 4.480 -0.034 0.000 0.351 180 M C -0.925 175.510 176.300 0.226 0.000 1.178 180 M CA 0.229 55.612 55.300 0.138 0.000 1.143 180 M CB 0.564 33.215 32.600 0.085 0.000 1.530 180 M HN 0.702 nan 8.290 nan 0.000 0.461 181 Y N -0.787 119.538 120.300 0.043 0.000 2.624 181 Y HA 0.262 4.792 4.550 -0.034 0.000 0.334 181 Y C -0.035 175.891 175.900 0.043 0.000 1.155 181 Y CA -0.648 57.475 58.100 0.039 0.000 1.046 181 Y CB 1.532 40.018 38.460 0.043 0.000 1.316 181 Y HN 0.706 nan 8.280 nan 0.000 0.457 182 S N 1.835 117.405 115.700 -0.218 0.000 2.715 182 S HA -0.062 4.388 4.470 -0.034 0.000 0.318 182 S C -0.408 174.273 174.600 0.135 0.000 1.242 182 S CA 0.143 58.300 58.200 -0.072 0.000 1.044 182 S CB -0.549 62.557 63.200 -0.157 0.000 0.760 182 S HN 0.592 nan 8.310 nan 0.000 0.501 183 c N 4.770 123.433 118.600 0.105 0.000 2.633 183 c HA 0.207 4.756 4.570 -0.034 0.000 0.415 183 c C 0.925 175.102 174.090 0.145 0.000 1.393 183 c CA -0.303 56.108 56.329 0.137 0.000 1.700 183 c CB -1.307 41.272 42.510 0.115 0.000 2.541 183 c HN 0.742 nan 8.230 nan 0.000 0.603 184 E N 0.804 121.103 120.200 0.166 0.000 2.288 184 E HA 0.187 4.517 4.350 -0.034 0.000 0.268 184 E C -0.923 175.766 176.600 0.148 0.000 0.885 184 E CA -0.606 55.883 56.400 0.149 0.000 0.767 184 E CB 1.332 31.123 29.700 0.152 0.000 1.220 184 E HN 0.531 nan 8.360 nan 0.000 0.427 185 D N 1.783 122.261 120.400 0.129 0.000 2.934 185 D HA 0.082 4.702 4.640 -0.034 0.000 0.237 185 D C -1.102 175.258 176.300 0.101 0.000 1.158 185 D CA 0.224 54.303 54.000 0.131 0.000 0.971 185 D CB -0.653 40.214 40.800 0.111 0.000 1.123 185 D HN 0.309 nan 8.370 nan 0.000 0.467 186 N N 0.199 118.963 118.700 0.106 0.000 2.238 186 N HA 0.153 4.873 4.740 -0.034 0.000 0.302 186 N C 0.540 176.092 175.510 0.071 0.000 1.072 186 N CA -0.859 52.230 53.050 0.064 0.000 0.792 186 N CB 1.814 40.328 38.487 0.046 0.000 1.425 186 N HN -0.133 nan 8.380 nan 0.000 0.478 187 L N 1.536 122.770 121.223 0.018 0.000 2.189 187 L HA -0.187 4.132 4.340 -0.034 0.000 0.214 187 L C 1.966 178.826 176.870 -0.016 0.000 1.097 187 L CA 1.636 56.476 54.840 0.000 0.000 0.764 187 L CB -0.838 41.185 42.059 -0.061 0.000 0.900 187 L HN 0.744 nan 8.230 nan 0.000 0.436 188 D N -1.561 118.818 120.400 -0.034 0.000 2.378 188 D HA -0.189 4.430 4.640 -0.034 0.000 0.227 188 D C 1.500 177.715 176.300 -0.142 0.000 1.012 188 D CA 0.605 54.551 54.000 -0.091 0.000 0.905 188 D CB -0.079 40.692 40.800 -0.049 0.000 0.895 188 D HN 0.461 nan 8.370 nan 0.000 0.532 189 Q N -1.211 118.562 119.800 -0.043 0.000 2.247 189 Q HA 0.078 4.397 4.340 -0.034 0.000 0.211 189 Q C -0.179 175.846 176.000 0.042 0.000 0.861 189 Q CA -0.402 55.429 55.803 0.048 0.000 0.949 189 Q CB 0.835 29.670 28.738 0.162 0.000 1.115 189 Q HN 0.342 nan 8.270 nan 0.000 0.507 190 W N 0.542 121.681 121.300 -0.268 0.000 2.433 190 W HA 0.416 5.054 4.660 -0.037 0.000 0.315 190 W C -1.674 174.640 176.519 -0.341 0.000 1.087 190 W CA -0.300 56.983 57.345 -0.105 0.000 1.205 190 W CB 0.666 30.108 29.460 -0.029 0.000 1.288 190 W HN -0.122 nan 8.180 nan 0.000 0.504 191 F N 3.931 123.863 119.950 -0.030 0.000 2.563 191 F HA 0.524 5.029 4.527 -0.037 0.000 0.316 191 F C 0.035 175.875 175.800 0.066 0.000 1.076 191 F CA -1.102 56.969 58.000 0.119 0.000 0.921 191 F CB 1.920 40.988 39.000 0.114 0.000 1.209 191 F HN 0.104 nan 8.300 nan 0.000 0.462 192 R N 1.428 122.131 120.500 0.339 0.000 2.513 192 R HA 0.369 4.688 4.340 -0.034 0.000 0.301 192 R C -1.909 174.448 176.300 0.095 0.000 0.968 192 R CA -0.915 55.251 56.100 0.109 0.000 0.872 192 R CB 1.996 32.389 30.300 0.155 0.000 1.177 192 R HN 0.549 nan 8.270 nan 0.000 0.444 193 Y N 3.646 123.760 120.300 -0.310 0.000 2.335 193 Y HA 0.402 4.943 4.550 -0.015 0.000 0.338 193 Y C -1.410 174.309 175.900 -0.302 0.000 0.977 193 Y CA -1.502 56.557 58.100 -0.070 0.000 1.114 193 Y CB 0.691 39.262 38.460 0.185 0.000 1.182 193 Y HN 0.481 nan 8.280 nan 0.000 0.463 194 Y N 2.823 123.115 120.300 -0.015 0.000 2.587 194 Y HA 0.272 4.793 4.550 -0.048 0.000 0.337 194 Y C 1.423 177.157 175.900 -0.276 0.000 1.065 194 Y CA -0.878 57.134 58.100 -0.147 0.000 1.126 194 Y CB 1.205 39.669 38.460 0.006 0.000 1.279 194 Y HN 0.599 nan 8.280 nan 0.000 0.489 195 E N 1.415 121.599 120.200 -0.027 0.000 2.209 195 E HA -0.229 4.100 4.350 -0.034 0.000 0.196 195 E C 1.352 177.973 176.600 0.036 0.000 0.993 195 E CA 1.928 58.301 56.400 -0.046 0.000 0.819 195 E CB -0.186 29.497 29.700 -0.027 0.000 0.745 195 E HN 0.700 nan 8.360 nan 0.000 0.477 196 N N -0.643 118.116 118.700 0.100 0.000 2.550 196 N HA -0.003 4.717 4.740 -0.034 0.000 0.186 196 N C 1.300 176.909 175.510 0.165 0.000 1.110 196 N CA 1.175 54.287 53.050 0.103 0.000 0.912 196 N CB 0.028 38.563 38.487 0.080 0.000 0.968 196 N HN 0.250 nan 8.380 nan 0.000 0.448 197 G N -0.687 108.258 108.800 0.242 0.000 2.213 197 G HA2 -0.267 3.672 3.960 -0.034 0.000 0.236 197 G HA3 -0.267 3.672 3.960 -0.034 0.000 0.236 197 G C -0.415 174.839 174.900 0.590 0.000 0.991 197 G CA 0.025 45.376 45.100 0.419 0.000 0.629 197 G HN 0.488 nan 8.290 nan 0.000 0.517 198 E N 0.208 120.699 120.200 0.485 0.000 2.360 198 E HA 0.472 4.802 4.350 -0.034 0.000 0.269 198 E C 0.087 177.075 176.600 0.647 0.000 1.022 198 E CA 0.042 56.746 56.400 0.507 0.000 0.887 198 E CB 1.023 30.929 29.700 0.343 0.000 0.990 198 E HN 0.400 nan 8.360 nan 0.000 0.426 199 I N 3.387 124.263 120.570 0.511 0.000 2.355 199 I HA 0.191 4.341 4.170 -0.034 0.000 0.288 199 I C -0.699 175.659 176.117 0.402 0.000 0.999 199 I CA -0.772 60.755 61.300 0.380 0.000 1.163 199 I CB 1.422 39.373 38.000 -0.082 0.000 1.316 199 I HN 0.159 nan 8.210 nan 0.000 0.454 200 V N 6.254 126.460 119.914 0.488 0.000 2.417 200 V HA 0.257 4.356 4.120 -0.034 0.000 0.291 200 V C 0.323 176.629 176.094 0.354 0.000 1.024 200 V CA -0.813 61.730 62.300 0.405 0.000 0.861 200 V CB 1.669 33.723 31.823 0.385 0.000 0.985 200 V HN 0.697 nan 8.190 nan 0.000 0.436 201 N N 2.967 121.799 118.700 0.219 0.000 2.497 201 N HA 0.166 4.886 4.740 -0.034 0.000 0.268 201 N C 0.996 176.489 175.510 -0.028 0.000 1.171 201 N CA 0.443 53.436 53.050 -0.094 0.000 0.948 201 N CB 1.996 40.430 38.487 -0.088 0.000 1.069 201 N HN 0.798 nan 8.380 nan 0.000 0.460 202 A N 4.144 126.931 122.820 -0.055 0.000 1.968 202 A HA -0.123 4.176 4.320 -0.034 0.000 0.217 202 A C 2.052 179.614 177.584 -0.036 0.000 1.169 202 A CA 1.177 53.228 52.037 0.022 0.000 0.638 202 A CB -0.160 18.888 19.000 0.081 0.000 0.812 202 A HN 0.748 nan 8.150 nan 0.000 0.446 203 K N 0.842 121.202 120.400 -0.066 0.000 2.031 203 K HA -0.078 4.221 4.320 -0.034 0.000 0.205 203 K C 2.039 178.614 176.600 -0.041 0.000 1.049 203 K CA 2.125 58.377 56.287 -0.058 0.000 0.939 203 K CB -0.278 32.185 32.500 -0.061 0.000 0.717 203 K HN 0.507 nan 8.250 nan 0.000 0.438 204 S N -1.746 113.936 115.700 -0.031 0.000 2.503 204 S HA 0.208 4.658 4.470 -0.034 0.000 0.215 204 S C 1.448 176.048 174.600 0.000 0.000 1.003 204 S CA 0.230 58.421 58.200 -0.014 0.000 0.910 204 S CB 0.122 63.320 63.200 -0.002 0.000 0.790 204 S HN 0.511 nan 8.310 nan 0.000 0.514 205 G N 1.325 110.135 108.800 0.015 0.000 2.187 205 G HA2 -0.298 3.642 3.960 -0.034 0.000 0.261 205 G HA3 -0.298 3.642 3.960 -0.034 0.000 0.261 205 G C -0.013 174.924 174.900 0.062 0.000 1.000 205 G CA 0.994 46.118 45.100 0.039 0.000 0.718 205 G HN 0.532 nan 8.290 nan 0.000 0.519 206 M N -1.053 118.591 119.600 0.073 0.000 2.649 206 M HA 0.566 5.025 4.480 -0.034 0.000 0.294 206 M C 0.517 176.918 176.300 0.168 0.000 1.206 206 M CA -0.673 54.686 55.300 0.097 0.000 0.928 206 M CB 1.676 34.315 32.600 0.066 0.000 1.571 206 M HN 0.142 nan 8.290 nan 0.000 0.501 207 c N 1.380 120.098 118.600 0.196 0.000 2.366 207 c HA 0.482 5.031 4.570 -0.034 0.000 0.345 207 c C -0.138 174.113 174.090 0.269 0.000 1.209 207 c CA -0.884 55.596 56.329 0.252 0.000 2.050 207 c CB 0.863 43.525 42.510 0.253 0.000 2.359 207 c HN 0.651 nan 8.230 nan 0.000 0.527 208 L N 3.521 124.901 121.223 0.262 0.000 2.500 208 L HA 0.243 4.562 4.340 -0.034 0.000 0.272 208 L C -0.117 176.990 176.870 0.396 0.000 1.149 208 L CA 1.085 56.033 54.840 0.181 0.000 0.897 208 L CB -0.256 41.693 42.059 -0.184 0.000 1.178 208 L HN 0.798 nan 8.230 nan 0.000 0.473 209 D N 3.339 123.928 120.400 0.315 0.000 2.671 209 D HA 0.563 5.182 4.640 -0.034 0.000 0.232 209 D C -1.350 175.080 176.300 0.216 0.000 1.114 209 D CA -0.565 53.595 54.000 0.267 0.000 0.858 209 D CB 1.873 42.797 40.800 0.207 0.000 1.544 209 D HN 0.252 nan 8.370 nan 0.000 0.471 210 V N 2.182 122.169 119.914 0.122 0.000 2.532 210 V HA 0.322 4.422 4.120 -0.034 0.000 0.295 210 V C 0.416 176.495 176.094 -0.026 0.000 1.041 210 V CA -0.882 61.457 62.300 0.064 0.000 0.926 210 V CB 1.449 33.285 31.823 0.022 0.000 0.992 210 V HN 0.665 nan 8.190 nan 0.000 0.457 211 E N 2.292 122.478 120.200 -0.024 0.000 2.442 211 E HA 0.361 4.690 4.350 -0.034 0.000 0.262 211 E C 0.940 177.490 176.600 -0.083 0.000 1.004 211 E CA 1.064 57.420 56.400 -0.074 0.000 0.928 211 E CB 0.399 30.079 29.700 -0.033 0.000 0.937 211 E HN 1.079 nan 8.360 nan 0.000 0.446 212 G N 2.587 111.315 108.800 -0.120 0.000 2.547 212 G HA2 -0.352 3.588 3.960 -0.034 0.000 0.271 212 G HA3 -0.352 3.588 3.960 -0.034 0.000 0.271 212 G C 0.537 175.378 174.900 -0.098 0.000 1.209 212 G CA 0.571 45.613 45.100 -0.097 0.000 0.959 212 G HN 1.058 nan 8.290 nan 0.000 0.563 213 S N -0.803 114.852 115.700 -0.074 0.000 2.679 213 S HA 0.214 4.664 4.470 -0.034 0.000 0.258 213 S C 1.274 175.830 174.600 -0.073 0.000 1.068 213 S CA 1.120 59.277 58.200 -0.071 0.000 1.115 213 S CB 0.582 63.748 63.200 -0.058 0.000 1.078 213 S HN 1.152 nan 8.310 nan 0.000 0.603 214 D N 1.520 121.879 120.400 -0.068 0.000 2.349 214 D HA 0.245 4.865 4.640 -0.034 0.000 0.215 214 D C 1.534 177.782 176.300 -0.087 0.000 1.016 214 D CA 0.878 54.836 54.000 -0.070 0.000 0.870 214 D CB -0.591 40.174 40.800 -0.058 0.000 0.917 214 D HN 0.728 nan 8.370 nan 0.000 0.524 215 G N -0.549 108.193 108.800 -0.096 0.000 2.159 215 G HA2 -0.240 3.700 3.960 -0.034 0.000 0.256 215 G HA3 -0.240 3.700 3.960 -0.034 0.000 0.256 215 G C 0.047 174.899 174.900 -0.080 0.000 0.977 215 G CA 0.307 45.331 45.100 -0.127 0.000 0.652 215 G HN 0.432 nan 8.290 nan 0.000 0.531 216 S N 0.351 116.022 115.700 -0.050 0.000 2.566 216 S HA 0.821 5.271 4.470 -0.034 0.000 0.324 216 S C 0.548 175.160 174.600 0.020 0.000 1.081 216 S CA 0.350 58.538 58.200 -0.020 0.000 1.105 216 S CB 1.694 64.860 63.200 -0.057 0.000 0.981 216 S HN 1.912 nan 8.310 nan 0.000 0.464 217 G N 2.834 111.678 108.800 0.073 0.000 2.351 217 G HA2 0.168 4.107 3.960 -0.034 0.000 0.279 217 G HA3 0.168 4.107 3.960 -0.034 0.000 0.279 217 G C -1.470 173.494 174.900 0.105 0.000 1.297 217 G CA -1.052 44.099 45.100 0.085 0.000 0.886 217 G HN 0.536 nan 8.290 nan 0.000 0.493 218 N N -0.617 118.131 118.700 0.080 0.000 2.518 218 N HA 0.433 5.153 4.740 -0.034 0.000 0.266 218 N C -0.030 175.526 175.510 0.078 0.000 1.196 218 N CA 0.023 53.118 53.050 0.076 0.000 0.947 218 N CB 1.374 39.894 38.487 0.055 0.000 1.098 218 N HN 0.478 nan 8.380 nan 0.000 0.450 219 V N 1.925 121.887 119.914 0.081 0.000 2.472 219 V HA 0.828 4.928 4.120 -0.034 0.000 0.290 219 V C 0.978 177.108 176.094 0.060 0.000 1.037 219 V CA -0.054 62.296 62.300 0.084 0.000 0.908 219 V CB 0.845 32.707 31.823 0.065 0.000 0.985 219 V HN 0.878 nan 8.190 nan 0.000 0.454 220 G N 4.079 112.929 108.800 0.084 0.000 2.782 220 G HA2 0.626 4.566 3.960 -0.034 0.000 0.304 220 G HA3 0.626 4.566 3.960 -0.034 0.000 0.304 220 G C -1.685 173.303 174.900 0.146 0.000 1.315 220 G CA -0.647 44.512 45.100 0.098 0.000 0.791 220 G HN 0.362 nan 8.290 nan 0.000 0.519 221 I N 0.544 121.216 120.570 0.171 0.000 2.378 221 I HA 0.560 4.709 4.170 -0.034 0.000 0.291 221 I C -1.063 175.209 176.117 0.258 0.000 0.992 221 I CA -0.761 60.660 61.300 0.202 0.000 1.154 221 I CB 0.990 39.088 38.000 0.163 0.000 1.315 221 I HN 0.549 nan 8.210 nan 0.000 0.448 222 Y N 4.669 125.027 120.300 0.096 0.000 2.625 222 Y HA 0.390 4.918 4.550 -0.036 0.000 0.338 222 Y C 0.372 176.320 175.900 0.080 0.000 1.123 222 Y CA -1.132 57.014 58.100 0.078 0.000 1.046 222 Y CB 1.606 40.111 38.460 0.073 0.000 1.299 222 Y HN 0.549 nan 8.280 nan 0.000 0.464 223 R N 2.682 123.034 120.500 -0.247 0.000 2.485 223 R HA 0.033 4.353 4.340 -0.034 0.000 0.304 223 R C -0.929 175.450 176.300 0.132 0.000 0.934 223 R CA 0.194 56.244 56.100 -0.084 0.000 1.102 223 R CB -0.445 29.738 30.300 -0.194 0.000 0.906 223 R HN 0.743 nan 8.270 nan 0.000 0.407 224 c N 5.400 124.067 118.600 0.112 0.000 2.517 224 c HA -0.027 4.523 4.570 -0.034 0.000 0.403 224 c C 1.205 175.366 174.090 0.117 0.000 1.467 224 c CA -0.114 56.295 56.329 0.132 0.000 1.542 224 c CB -0.809 41.764 42.510 0.106 0.000 2.482 224 c HN 0.874 nan 8.230 nan 0.000 0.610 225 D N -0.357 120.121 120.400 0.131 0.000 2.500 225 D HA 0.045 4.665 4.640 -0.034 0.000 0.217 225 D C 0.402 176.751 176.300 0.080 0.000 1.159 225 D CA -0.051 54.012 54.000 0.106 0.000 0.828 225 D CB -0.230 40.648 40.800 0.129 0.000 1.039 225 D HN 0.600 nan 8.370 nan 0.000 0.512 226 D N -0.040 120.411 120.400 0.086 0.000 3.079 226 D HA -0.155 4.465 4.640 -0.034 0.000 0.214 226 D C -0.132 176.200 176.300 0.054 0.000 1.145 226 D CA 0.470 54.516 54.000 0.076 0.000 0.958 226 D CB -1.234 39.615 40.800 0.082 0.000 1.117 226 D HN 0.387 nan 8.370 nan 0.000 0.416 227 L N -0.071 121.177 121.223 0.042 0.000 2.421 227 L HA 0.315 4.635 4.340 -0.034 0.000 0.263 227 L C 2.180 179.041 176.870 -0.016 0.000 1.122 227 L CA -0.487 54.359 54.840 0.010 0.000 0.804 227 L CB 0.729 42.788 42.059 0.000 0.000 1.150 227 L HN -0.201 nan 8.230 nan 0.000 0.457 228 R N 0.650 121.125 120.500 -0.042 0.000 2.193 228 R HA -0.144 4.176 4.340 -0.034 0.000 0.229 228 R C 1.482 177.686 176.300 -0.160 0.000 1.110 228 R CA 1.421 57.474 56.100 -0.078 0.000 0.988 228 R CB -0.004 30.255 30.300 -0.070 0.000 0.871 228 R HN 0.795 nan 8.270 nan 0.000 0.458 229 D N -0.649 119.658 120.400 -0.155 0.000 2.363 229 D HA -0.140 4.480 4.640 -0.034 0.000 0.220 229 D C 0.672 176.799 176.300 -0.288 0.000 0.994 229 D CA 0.667 54.523 54.000 -0.240 0.000 0.890 229 D CB 0.113 40.817 40.800 -0.160 0.000 0.906 229 D HN 0.342 nan 8.370 nan 0.000 0.530 230 Q N -0.378 119.330 119.800 -0.154 0.000 2.198 230 Q HA 0.281 4.600 4.340 -0.034 0.000 0.209 230 Q C 0.156 176.146 176.000 -0.016 0.000 0.848 230 Q CA -0.159 55.641 55.803 -0.006 0.000 0.974 230 Q CB 0.788 29.613 28.738 0.143 0.000 1.115 230 Q HN 0.293 nan 8.270 nan 0.000 0.494 231 M N 0.368 119.840 119.600 -0.213 0.000 2.300 231 M HA 0.363 4.822 4.480 -0.034 0.000 0.348 231 M C -1.345 174.776 176.300 -0.298 0.000 1.151 231 M CA -0.223 55.037 55.300 -0.067 0.000 1.046 231 M CB 1.056 33.651 32.600 -0.007 0.000 1.647 231 M HN -0.009 nan 8.290 nan 0.000 0.451 232 W N 0.764 122.194 121.300 0.217 0.000 2.883 232 W HA 0.575 5.211 4.660 -0.040 0.000 0.335 232 W C -0.344 176.358 176.519 0.305 0.000 1.083 232 W CA -0.595 56.872 57.345 0.203 0.000 1.233 232 W CB 1.589 31.143 29.460 0.156 0.000 1.412 232 W HN 0.609 nan 8.180 nan 0.000 0.490 233 S N 1.575 117.510 115.700 0.392 0.000 2.651 233 S HA 0.721 5.170 4.470 -0.034 0.000 0.291 233 S C -0.374 174.313 174.600 0.145 0.000 1.141 233 S CA -1.049 57.330 58.200 0.300 0.000 1.027 233 S CB 2.051 65.344 63.200 0.155 0.000 1.043 233 S HN 0.609 nan 8.310 nan 0.000 0.530 234 R N 1.419 121.969 120.500 0.084 0.000 2.653 234 R HA 0.330 4.650 4.340 -0.034 0.000 0.269 234 R C -2.739 173.532 176.300 -0.047 0.000 1.603 234 R CA -1.536 54.438 56.100 -0.211 0.000 1.671 234 R CB 0.448 30.577 30.300 -0.286 0.000 1.300 234 R HN 0.580 nan 8.270 nan 0.000 0.668 235 P HA 0.048 nan 4.420 nan 0.000 0.271 235 P C -0.124 177.241 177.300 0.108 0.000 1.216 235 P CA -0.099 63.061 63.100 0.099 0.000 0.776 235 P CB 1.105 32.908 31.700 0.172 0.000 0.881 236 N N 2.989 121.742 118.700 0.089 0.000 2.137 236 N HA -0.223 4.497 4.740 -0.034 0.000 0.190 236 N C 1.741 177.289 175.510 0.063 0.000 1.017 236 N CA 1.888 54.979 53.050 0.068 0.000 0.859 236 N CB -0.583 37.939 38.487 0.058 0.000 1.002 236 N HN 0.470 nan 8.380 nan 0.000 0.428 237 A N -0.926 121.937 122.820 0.071 0.000 1.986 237 A HA -0.165 4.135 4.320 -0.034 0.000 0.220 237 A C 1.416 178.934 177.584 -0.111 0.000 1.171 237 A CA 1.337 53.359 52.037 -0.024 0.000 0.640 237 A CB -0.889 18.083 19.000 -0.046 0.000 0.811 237 A HN 0.571 nan 8.150 nan 0.000 0.451 238 Y N -1.664 118.631 120.300 -0.008 0.000 2.457 238 Y HA 0.181 4.710 4.550 -0.035 0.000 0.263 238 Y C 0.805 176.694 175.900 -0.018 0.000 1.164 238 Y CA -0.812 57.282 58.100 -0.010 0.000 1.274 238 Y CB -0.108 38.345 38.460 -0.012 0.000 1.097 238 Y HN 0.195 nan 8.280 nan 0.000 0.523 239 c N 1.243 119.897 118.600 0.091 0.000 2.388 239 c HA 0.329 4.878 4.570 -0.034 0.000 0.362 239 c C 0.473 174.593 174.090 0.049 0.000 1.266 239 c CA -0.786 55.576 56.329 0.054 0.000 2.028 239 c CB -0.158 42.367 42.510 0.025 0.000 2.440 239 c HN 0.405 nan 8.230 nan 0.000 0.547 240 N N 1.030 119.773 118.700 0.072 0.000 2.626 240 N HA 0.491 5.211 4.740 -0.034 0.000 0.249 240 N C 0.569 176.146 175.510 0.112 0.000 1.021 240 N CA 1.049 54.142 53.050 0.070 0.000 0.886 240 N CB 0.493 39.011 38.487 0.053 0.000 1.149 240 N HN 1.040 nan 8.380 nan 0.000 0.517 241 G N 3.216 112.064 108.800 0.079 0.000 2.601 241 G HA2 -0.340 3.599 3.960 -0.034 0.000 0.306 241 G HA3 -0.340 3.599 3.960 -0.034 0.000 0.306 241 G C 0.236 175.172 174.900 0.059 0.000 1.172 241 G CA 0.602 45.750 45.100 0.080 0.000 0.966 241 G HN 0.568 nan 8.290 nan 0.000 0.542 242 D N 0.320 120.741 120.400 0.036 0.000 2.398 242 D HA 0.251 4.870 4.640 -0.034 0.000 0.210 242 D C -0.097 176.089 176.300 -0.191 0.000 1.094 242 D CA 0.192 54.148 54.000 -0.074 0.000 0.839 242 D CB 0.313 41.042 40.800 -0.119 0.000 0.963 242 D HN 0.345 nan 8.370 nan 0.000 0.506 243 Y N 0.559 120.849 120.300 -0.017 0.000 2.367 243 Y HA 0.290 4.820 4.550 -0.033 0.000 0.342 243 Y C 0.348 176.224 175.900 -0.039 0.000 0.979 243 Y CA -0.590 57.489 58.100 -0.035 0.000 1.161 243 Y CB 1.075 39.507 38.460 -0.048 0.000 1.155 243 Y HN -0.143 nan 8.280 nan 0.000 0.503 244 c N 1.147 119.782 118.600 0.057 0.000 2.889 244 c HA 0.610 5.160 4.570 -0.034 0.000 0.307 244 c C -0.059 174.027 174.090 -0.007 0.000 1.251 244 c CA -1.038 55.267 56.329 -0.039 0.000 1.593 244 c CB 1.775 44.130 42.510 -0.257 0.000 2.104 244 c HN 0.789 nan 8.230 nan 0.000 0.476 245 S N 0.485 116.172 115.700 -0.021 0.000 2.610 245 S HA 0.671 5.121 4.470 -0.034 0.000 0.273 245 S C -1.028 173.434 174.600 -0.230 0.000 1.274 245 S CA -0.185 58.025 58.200 0.017 0.000 1.023 245 S CB 0.277 63.477 63.200 -0.001 0.000 0.962 245 S HN 0.474 nan 8.310 nan 0.000 0.523 246 F N 1.833 121.747 119.950 -0.060 0.000 2.427 246 F HA 0.474 4.978 4.527 -0.037 0.000 0.348 246 F C -0.580 175.291 175.800 0.119 0.000 1.125 246 F CA -0.790 57.183 58.000 -0.045 0.000 0.989 246 F CB 0.855 39.687 39.000 -0.279 0.000 1.165 246 F HN 0.209 nan 8.300 nan 0.000 0.442 247 L N 3.885 125.237 121.223 0.215 0.000 2.295 247 L HA 0.315 4.635 4.340 -0.034 0.000 0.285 247 L C 0.319 177.277 176.870 0.146 0.000 1.035 247 L CA -0.388 54.523 54.840 0.118 0.000 0.806 247 L CB 0.898 42.901 42.059 -0.094 0.000 1.214 247 L HN 0.528 nan 8.230 nan 0.000 0.426 248 N N 2.571 121.236 118.700 -0.058 0.000 2.497 248 N HA 0.032 4.751 4.740 -0.034 0.000 0.268 248 N C 0.593 175.924 175.510 -0.299 0.000 1.171 248 N CA 0.048 52.785 53.050 -0.521 0.000 0.948 248 N CB 0.982 39.101 38.487 -0.612 0.000 1.069 248 N HN 0.577 nan 8.380 nan 0.000 0.460 249 K N 2.043 122.255 120.400 -0.312 0.000 2.296 249 K HA -0.119 4.181 4.320 -0.034 0.000 0.200 249 K C 1.059 177.573 176.600 -0.143 0.000 1.048 249 K CA 0.697 56.891 56.287 -0.157 0.000 0.966 249 K CB 0.257 32.696 32.500 -0.102 0.000 0.754 249 K HN 0.516 nan 8.250 nan 0.000 0.466 250 E N 1.013 121.098 120.200 -0.193 0.000 2.051 250 E HA -0.093 4.237 4.350 -0.034 0.000 0.189 250 E C 1.687 178.215 176.600 -0.119 0.000 0.979 250 E CA 1.719 58.034 56.400 -0.142 0.000 0.803 250 E CB 0.106 29.712 29.700 -0.156 0.000 0.761 250 E HN 0.180 nan 8.360 nan 0.000 0.451 251 S N -0.882 114.735 115.700 -0.138 0.000 2.511 251 S HA 0.123 4.573 4.470 -0.034 0.000 0.214 251 S C 0.461 175.006 174.600 -0.091 0.000 0.997 251 S CA 0.216 58.351 58.200 -0.108 0.000 0.908 251 S CB -0.050 63.084 63.200 -0.110 0.000 0.803 251 S HN 0.269 nan 8.310 nan 0.000 0.504 252 N N 1.002 119.645 118.700 -0.095 0.000 2.753 252 N HA -0.142 4.578 4.740 -0.034 0.000 0.251 252 N C -0.658 174.815 175.510 -0.061 0.000 1.097 252 N CA 1.115 54.123 53.050 -0.070 0.000 0.786 252 N CB -1.413 37.047 38.487 -0.045 0.000 1.137 252 N HN 0.633 nan 8.380 nan 0.000 0.566 253 K N -0.034 120.331 120.400 -0.058 0.000 2.087 253 K HA 0.462 4.762 4.320 -0.034 0.000 0.255 253 K C 0.182 176.816 176.600 0.057 0.000 0.988 253 K CA -0.457 55.823 56.287 -0.012 0.000 0.915 253 K CB 1.339 33.832 32.500 -0.012 0.000 1.043 253 K HN 0.036 nan 8.250 nan 0.000 0.457 254 c N 2.026 120.687 118.600 0.102 0.000 2.466 254 c HA 0.201 4.751 4.570 -0.034 0.000 0.379 254 c C 0.108 174.351 174.090 0.255 0.000 1.251 254 c CA -0.772 55.649 56.329 0.154 0.000 2.263 254 c CB -0.163 42.418 42.510 0.118 0.000 2.511 254 c HN 0.628 nan 8.230 nan 0.000 0.573 255 L N 3.803 125.196 121.223 0.284 0.000 2.513 255 L HA 0.262 4.582 4.340 -0.034 0.000 0.272 255 L C -0.145 176.859 176.870 0.224 0.000 1.187 255 L CA 1.107 56.047 54.840 0.168 0.000 0.895 255 L CB -0.069 41.884 42.059 -0.177 0.000 1.147 255 L HN 0.805 nan 8.230 nan 0.000 0.483 256 D N 3.282 123.799 120.400 0.195 0.000 2.732 256 D HA 0.552 5.172 4.640 -0.034 0.000 0.229 256 D C -1.477 174.894 176.300 0.118 0.000 1.152 256 D CA -0.515 53.594 54.000 0.181 0.000 0.854 256 D CB 1.896 42.823 40.800 0.213 0.000 1.590 256 D HN 0.310 nan 8.370 nan 0.000 0.468 257 V N 1.916 121.865 119.914 0.059 0.000 2.532 257 V HA 0.428 4.527 4.120 -0.034 0.000 0.295 257 V C 0.550 176.597 176.094 -0.077 0.000 1.041 257 V CA -0.933 61.370 62.300 0.007 0.000 0.926 257 V CB 1.527 33.347 31.823 -0.005 0.000 0.992 257 V HN 0.718 nan 8.190 nan 0.000 0.457 258 S N 3.203 118.850 115.700 -0.088 0.000 2.563 258 S HA 0.381 4.831 4.470 -0.034 0.000 0.294 258 S C 0.951 175.458 174.600 -0.155 0.000 1.279 258 S CA 1.035 59.144 58.200 -0.151 0.000 1.069 258 S CB -0.584 62.555 63.200 -0.102 0.000 0.828 258 S HN 1.946 nan 8.310 nan 0.000 0.497 259 G N 4.420 113.090 108.800 -0.217 0.000 2.550 259 G HA2 -0.290 3.650 3.960 -0.034 0.000 0.277 259 G HA3 -0.290 3.650 3.960 -0.034 0.000 0.277 259 G C 0.069 174.885 174.900 -0.141 0.000 1.190 259 G CA 0.685 45.683 45.100 -0.170 0.000 0.971 259 G HN 1.035 nan 8.290 nan 0.000 0.559 260 D N -1.601 118.736 120.400 -0.104 0.000 2.525 260 D HA 0.136 4.755 4.640 -0.034 0.000 0.231 260 D C 1.558 177.806 176.300 -0.086 0.000 1.216 260 D CA 0.428 54.374 54.000 -0.090 0.000 0.813 260 D CB -0.107 40.649 40.800 -0.074 0.000 1.108 260 D HN 0.336 nan 8.370 nan 0.000 0.524 261 Q N 0.701 120.452 119.800 -0.082 0.000 2.360 261 Q HA 0.240 4.560 4.340 -0.034 0.000 0.202 261 Q C 1.294 177.241 176.000 -0.087 0.000 0.915 261 Q CA 0.842 56.597 55.803 -0.079 0.000 0.943 261 Q CB 0.403 29.101 28.738 -0.065 0.000 1.064 261 Q HN 0.527 nan 8.270 nan 0.000 0.511 262 G N 1.481 110.224 108.800 -0.095 0.000 2.198 262 G HA2 -0.316 3.623 3.960 -0.034 0.000 0.260 262 G HA3 -0.316 3.623 3.960 -0.034 0.000 0.260 262 G C 0.774 175.635 174.900 -0.065 0.000 1.025 262 G CA 1.109 46.148 45.100 -0.103 0.000 0.769 262 G HN 0.459 nan 8.290 nan 0.000 0.507 263 T N -3.885 110.640 114.554 -0.048 0.000 2.959 263 T HA 0.539 4.869 4.350 -0.034 0.000 0.254 263 T C 1.599 176.296 174.700 -0.005 0.000 1.003 263 T CA 1.133 63.215 62.100 -0.030 0.000 0.950 263 T CB 0.890 69.733 68.868 -0.042 0.000 1.090 263 T HN 1.192 nan 8.240 nan 0.000 0.503 264 G N 0.899 109.694 108.800 -0.009 0.000 2.773 264 G HA2 0.450 4.390 3.960 -0.034 0.000 0.186 264 G HA3 0.450 4.390 3.960 -0.034 0.000 0.186 264 G C -0.913 174.000 174.900 0.022 0.000 1.411 264 G CA -0.409 44.694 45.100 0.004 0.000 1.054 264 G HN 0.238 nan 8.290 nan 0.000 0.579 265 D N -0.815 119.593 120.400 0.013 0.000 2.382 265 D HA 0.325 4.945 4.640 -0.034 0.000 0.240 265 D C -0.195 176.116 176.300 0.019 0.000 1.146 265 D CA 0.034 54.046 54.000 0.020 0.000 0.897 265 D CB 1.445 42.253 40.800 0.013 0.000 1.197 265 D HN -0.047 nan 8.370 nan 0.000 0.432 266 V N 2.019 121.949 119.914 0.027 0.000 2.513 266 V HA 0.803 4.902 4.120 -0.034 0.000 0.299 266 V C 0.938 177.057 176.094 0.041 0.000 1.035 266 V CA -0.195 62.121 62.300 0.027 0.000 0.889 266 V CB 1.357 33.175 31.823 -0.009 0.000 0.988 266 V HN 0.704 nan 8.190 nan 0.000 0.440 267 G N 2.603 111.448 108.800 0.075 0.000 2.782 267 G HA2 0.698 4.637 3.960 -0.034 0.000 0.304 267 G HA3 0.698 4.637 3.960 -0.034 0.000 0.304 267 G C -0.594 174.419 174.900 0.188 0.000 1.315 267 G CA -0.008 45.167 45.100 0.125 0.000 0.791 267 G HN 0.715 nan 8.290 nan 0.000 0.519 268 T N -2.221 112.471 114.554 0.231 0.000 2.859 268 T HA 0.683 5.012 4.350 -0.034 0.000 0.281 268 T C -0.970 173.944 174.700 0.356 0.000 1.005 268 T CA -0.624 61.634 62.100 0.263 0.000 1.025 268 T CB 2.187 71.172 68.868 0.194 0.000 0.977 268 T HN 0.628 nan 8.240 nan 0.000 0.458 269 W N 1.864 123.201 121.300 0.063 0.000 3.118 269 W HA 0.352 4.991 4.660 -0.035 0.000 0.328 269 W C -0.809 175.735 176.519 0.041 0.000 1.239 269 W CA -0.994 56.377 57.345 0.044 0.000 1.176 269 W CB 2.099 31.585 29.460 0.043 0.000 1.433 269 W HN 0.850 nan 8.180 nan 0.000 0.562 270 Q N 2.340 121.929 119.800 -0.351 0.000 2.368 270 Q HA -0.013 4.307 4.340 -0.034 0.000 0.331 270 Q C -0.406 175.666 176.000 0.120 0.000 1.086 270 Q CA 1.009 56.715 55.803 -0.162 0.000 1.031 270 Q CB 0.176 28.734 28.738 -0.300 0.000 1.125 270 Q HN 0.350 nan 8.270 nan 0.000 0.389 271 c N 4.894 123.558 118.600 0.107 0.000 2.653 271 c HA 0.168 4.718 4.570 -0.034 0.000 0.421 271 c C 0.873 175.081 174.090 0.196 0.000 1.334 271 c CA 0.259 56.692 56.329 0.173 0.000 1.885 271 c CB -0.399 42.220 42.510 0.182 0.000 2.645 271 c HN 1.043 nan 8.230 nan 0.000 0.601 272 D N -0.801 119.720 120.400 0.201 0.000 2.525 272 D HA 0.195 4.814 4.640 -0.034 0.000 0.231 272 D C 1.249 177.621 176.300 0.119 0.000 1.216 272 D CA 0.518 54.611 54.000 0.155 0.000 0.813 272 D CB -0.462 40.431 40.800 0.155 0.000 1.108 272 D HN 0.909 nan 8.370 nan 0.000 0.524 273 G N 0.740 109.631 108.800 0.152 0.000 2.155 273 G HA2 -0.294 3.645 3.960 -0.034 0.000 0.257 273 G HA3 -0.294 3.645 3.960 -0.034 0.000 0.257 273 G C 0.066 174.997 174.900 0.051 0.000 0.983 273 G CA 0.643 45.806 45.100 0.105 0.000 0.676 273 G HN 0.420 nan 8.290 nan 0.000 0.528 274 L N 0.395 121.644 121.223 0.043 0.000 2.439 274 L HA 0.322 4.642 4.340 -0.034 0.000 0.261 274 L C -0.165 176.681 176.870 -0.040 0.000 1.153 274 L CA -1.814 53.023 54.840 -0.005 0.000 0.808 274 L CB 0.713 42.766 42.059 -0.010 0.000 1.126 274 L HN -0.108 nan 8.230 nan 0.000 0.460 275 P HA -0.175 nan 4.420 nan 0.000 0.222 275 P C 0.596 177.777 177.300 -0.199 0.000 1.147 275 P CA 1.155 64.166 63.100 -0.148 0.000 0.790 275 P CB -0.029 31.564 31.700 -0.178 0.000 0.780 276 D N -0.244 120.056 120.400 -0.166 0.000 2.371 276 D HA -0.142 4.477 4.640 -0.034 0.000 0.221 276 D C 1.252 177.421 176.300 -0.220 0.000 0.986 276 D CA 0.587 54.459 54.000 -0.214 0.000 0.899 276 D CB -0.433 40.282 40.800 -0.142 0.000 0.902 276 D HN 0.281 nan 8.370 nan 0.000 0.530 277 Q N -0.205 119.527 119.800 -0.113 0.000 2.220 277 Q HA 0.226 4.546 4.340 -0.034 0.000 0.205 277 Q C 0.024 176.050 176.000 0.042 0.000 0.865 277 Q CA -0.138 55.677 55.803 0.021 0.000 0.960 277 Q CB 0.924 29.726 28.738 0.106 0.000 1.097 277 Q HN 0.137 nan 8.270 nan 0.000 0.493 278 R N 0.078 120.491 120.500 -0.145 0.000 2.637 278 R HA 0.568 4.888 4.340 -0.034 0.000 0.291 278 R C -1.207 174.949 176.300 -0.239 0.000 0.963 278 R CA -0.419 55.664 56.100 -0.028 0.000 0.901 278 R CB 1.373 31.694 30.300 0.034 0.000 1.160 278 R HN -0.095 nan 8.270 nan 0.000 0.457 279 F N 0.740 120.744 119.950 0.091 0.000 2.588 279 F HA 0.426 4.933 4.527 -0.033 0.000 0.310 279 F C -0.007 175.704 175.800 -0.149 0.000 1.082 279 F CA -0.861 57.129 58.000 -0.016 0.000 0.929 279 F CB 2.033 40.895 39.000 -0.230 0.000 1.254 279 F HN 0.172 nan 8.300 nan 0.000 0.455 280 K N 1.978 122.298 120.400 -0.133 0.000 2.221 280 K HA 0.396 4.696 4.320 -0.034 0.000 0.258 280 K C -1.594 174.849 176.600 -0.261 0.000 0.944 280 K CA -0.614 55.432 56.287 -0.400 0.000 0.823 280 K CB 1.132 33.086 32.500 -0.911 0.000 1.113 280 K HN 0.680 nan 8.250 nan 0.000 0.431 281 W N 3.291 124.546 121.300 -0.076 0.000 2.303 281 W HA 0.204 4.846 4.660 -0.030 0.000 0.318 281 W C -0.329 176.257 176.519 0.111 0.000 1.362 281 W CA -0.679 56.674 57.345 0.013 0.000 1.234 281 W CB 0.917 30.401 29.460 0.038 0.000 1.248 281 W HN 0.075 nan 8.180 nan 0.000 0.546 282 V N 6.776 126.885 119.914 0.325 0.000 2.357 282 V HA 0.560 4.660 4.120 -0.034 0.000 0.284 282 V C -0.352 175.939 176.094 0.329 0.000 1.018 282 V CA -0.817 61.609 62.300 0.210 0.000 0.841 282 V CB -0.140 31.759 31.823 0.126 0.000 0.991 282 V HN 0.363 nan 8.190 nan 0.000 0.437 283 F N 1.440 121.486 119.950 0.159 0.000 2.693 283 F HA 0.663 5.173 4.527 -0.028 0.000 0.309 283 F C -0.931 175.063 175.800 0.324 0.000 1.129 283 F CA -1.206 56.978 58.000 0.307 0.000 0.948 283 F CB 1.207 40.382 39.000 0.293 0.000 1.315 283 F HN 0.284 nan 8.300 nan 0.000 0.447 284 D N 1.521 122.222 120.400 0.501 0.000 2.302 284 D HA 0.147 4.766 4.640 -0.034 0.000 0.248 284 D C -0.824 175.762 176.300 0.478 0.000 1.094 284 D CA 0.158 54.361 54.000 0.338 0.000 0.897 284 D CB 1.125 42.157 40.800 0.386 0.000 1.200 284 D HN 0.486 nan 8.370 nan 0.000 0.429 285 D N 1.280 121.800 120.400 0.199 0.000 2.348 285 D HA 0.120 4.740 4.640 -0.034 0.000 0.253 285 D C -0.562 175.856 176.300 0.196 0.000 1.161 285 D CA 0.116 54.278 54.000 0.270 0.000 0.876 285 D CB 0.489 41.352 40.800 0.105 0.000 1.160 285 D HN 0.186 nan 8.370 nan 0.000 0.459 286 W N 1.841 123.255 121.300 0.190 0.000 2.736 286 W HA 0.224 4.864 4.660 -0.034 0.000 0.335 286 W C 0.531 177.098 176.519 0.080 0.000 1.059 286 W CA -0.811 56.594 57.345 0.100 0.000 1.226 286 W CB 0.868 30.352 29.460 0.040 0.000 1.416 286 W HN 0.113 nan 8.180 nan 0.000 0.505 287 E N 1.369 121.716 120.200 0.246 0.000 2.413 287 E HA 0.052 4.382 4.350 -0.034 0.000 0.263 287 E C -0.166 176.523 176.600 0.149 0.000 1.015 287 E CA -0.133 56.362 56.400 0.158 0.000 0.916 287 E CB 0.947 30.713 29.700 0.109 0.000 0.947 287 E HN 0.152 nan 8.360 nan 0.000 0.440 288 V N 5.385 125.361 119.914 0.102 0.000 2.506 288 V HA -0.064 4.036 4.120 -0.034 0.000 0.296 288 V C -1.908 174.217 176.094 0.051 0.000 1.004 288 V CA -0.514 61.824 62.300 0.064 0.000 1.150 288 V CB -0.431 31.421 31.823 0.047 0.000 0.911 288 V HN 0.525 nan 8.190 nan 0.000 0.476 289 P HA 0.234 nan 4.420 nan 0.000 0.272 289 P C -0.217 177.100 177.300 0.029 0.000 1.223 289 P CA -0.059 63.053 63.100 0.020 0.000 0.784 289 P CB 0.437 32.122 31.700 -0.026 0.000 0.923 290 T N -1.181 113.392 114.554 0.031 0.000 2.829 290 T HA 0.772 5.101 4.350 -0.034 0.000 0.280 290 T C -0.621 174.092 174.700 0.022 0.000 0.999 290 T CA -0.963 61.156 62.100 0.032 0.000 0.983 290 T CB 1.525 70.406 68.868 0.022 0.000 0.968 290 T HN 0.346 nan 8.240 nan 0.000 0.446 291 A N 2.826 125.676 122.820 0.050 0.000 2.304 291 A HA 0.857 5.156 4.320 -0.034 0.000 0.323 291 A C 0.459 178.059 177.584 0.026 0.000 1.195 291 A CA -0.711 51.322 52.037 -0.008 0.000 0.826 291 A CB 0.629 19.624 19.000 -0.009 0.000 1.184 291 A HN 1.301 nan 8.150 nan 0.000 0.496 292 T N -1.486 112.975 114.554 -0.156 0.000 2.841 292 T HA 0.699 5.029 4.350 -0.034 0.000 0.296 292 T C -1.104 173.419 174.700 -0.296 0.000 1.166 292 T CA -0.642 61.402 62.100 -0.093 0.000 1.007 292 T CB 0.926 69.797 68.868 0.005 0.000 1.253 292 T HN 0.603 nan 8.240 nan 0.000 0.511 293 W N 1.063 122.448 121.300 0.142 0.000 2.587 293 W HA 0.608 5.246 4.660 -0.037 0.000 0.324 293 W C -0.219 176.492 176.519 0.320 0.000 1.040 293 W CA -0.611 56.836 57.345 0.170 0.000 1.222 293 W CB 1.610 31.093 29.460 0.040 0.000 1.381 293 W HN 0.518 nan 8.180 nan 0.000 0.483 294 N N 3.377 122.414 118.700 0.563 0.000 2.362 294 N HA 0.363 5.083 4.740 -0.034 0.000 0.298 294 N C -0.673 175.075 175.510 0.398 0.000 1.048 294 N CA -0.834 52.483 53.050 0.445 0.000 0.858 294 N CB 1.880 40.497 38.487 0.217 0.000 1.218 294 N HN 0.407 nan 8.380 nan 0.000 0.488 295 M N 2.334 122.006 119.600 0.120 0.000 2.217 295 M HA 0.032 4.492 4.480 -0.034 0.000 0.352 295 M C 0.546 176.720 176.300 -0.209 0.000 1.376 295 M CA -0.067 54.959 55.300 -0.457 0.000 1.107 295 M CB 0.624 32.834 32.600 -0.651 0.000 1.723 295 M HN 0.310 nan 8.290 nan 0.000 0.461 296 V N 3.412 123.191 119.914 -0.226 0.000 2.795 296 V HA 0.386 4.485 4.120 -0.034 0.000 0.243 296 V C 0.895 176.914 176.094 -0.125 0.000 1.069 296 V CA 0.813 63.047 62.300 -0.109 0.000 1.089 296 V CB 0.114 31.905 31.823 -0.054 0.000 0.756 296 V HN 0.998 nan 8.190 nan 0.000 0.471 297 G N -1.595 107.093 108.800 -0.188 0.000 2.556 297 G HA2 0.477 4.417 3.960 -0.034 0.000 0.294 297 G HA3 0.477 4.417 3.960 -0.034 0.000 0.294 297 G C -1.720 173.098 174.900 -0.137 0.000 1.516 297 G CA -0.251 44.769 45.100 -0.133 0.000 0.824 297 G HN 0.088 nan 8.290 nan 0.000 0.535 298 c N 0.194 118.748 118.600 -0.075 0.000 2.889 298 c HA 0.913 5.463 4.570 -0.034 0.000 0.307 298 c C -1.141 172.969 174.090 0.033 0.000 1.251 298 c CA -0.602 55.718 56.329 -0.014 0.000 1.593 298 c CB 2.217 44.706 42.510 -0.034 0.000 2.104 298 c HN 0.830 nan 8.230 nan 0.000 0.476 299 D N 0.464 120.921 120.400 0.095 0.000 2.890 299 D HA 0.268 4.888 4.640 -0.034 0.000 0.233 299 D C 0.110 176.460 176.300 0.082 0.000 1.306 299 D CA -0.214 53.837 54.000 0.085 0.000 0.929 299 D CB 1.418 42.283 40.800 0.108 0.000 1.512 299 D HN 0.432 nan 8.370 nan 0.000 0.568 300 Q N 1.769 121.594 119.800 0.043 0.000 2.425 300 Q HA 0.106 4.426 4.340 -0.034 0.000 0.204 300 Q C -0.108 175.903 176.000 0.018 0.000 0.933 300 Q CA 0.584 56.401 55.803 0.023 0.000 0.939 300 Q CB -0.025 28.722 28.738 0.015 0.000 1.044 300 Q HN 0.463 nan 8.270 nan 0.000 0.513 301 N N -0.549 118.168 118.700 0.029 0.000 2.571 301 N HA 0.465 5.185 4.740 -0.034 0.000 0.298 301 N C 0.037 175.568 175.510 0.035 0.000 1.671 301 N CA 0.266 53.330 53.050 0.023 0.000 0.900 301 N CB 1.359 39.855 38.487 0.015 0.000 1.365 301 N HN 0.095 nan 8.380 nan 0.000 0.493 302 G N -0.259 108.578 108.800 0.063 0.000 2.339 302 G HA2 0.047 3.987 3.960 -0.034 0.000 0.275 302 G HA3 0.047 3.987 3.960 -0.034 0.000 0.275 302 G C -1.638 173.389 174.900 0.212 0.000 1.323 302 G CA -1.064 44.090 45.100 0.091 0.000 0.927 302 G HN 0.111 nan 8.290 nan 0.000 0.486 303 K N -0.808 119.687 120.400 0.158 0.000 2.168 303 K HA 0.559 4.859 4.320 -0.034 0.000 0.258 303 K C -0.131 176.455 176.600 -0.023 0.000 1.010 303 K CA -0.290 56.049 56.287 0.087 0.000 0.929 303 K CB 1.930 34.378 32.500 -0.087 0.000 0.998 303 K HN 0.866 nan 8.250 nan 0.000 0.479 304 V N 0.171 119.951 119.914 -0.224 0.000 2.555 304 V HA 0.498 4.597 4.120 -0.034 0.000 0.302 304 V C -1.180 174.787 176.094 -0.212 0.000 1.038 304 V CA -0.228 61.977 62.300 -0.157 0.000 0.887 304 V CB 1.855 33.627 31.823 -0.085 0.000 0.991 304 V HN 0.703 nan 8.190 nan 0.000 0.434 305 S N 6.267 121.892 115.700 -0.125 0.000 2.532 305 S HA 0.747 5.196 4.470 -0.034 0.000 0.299 305 S C -1.087 173.482 174.600 -0.051 0.000 1.105 305 S CA -0.737 57.399 58.200 -0.107 0.000 1.018 305 S CB 1.621 64.770 63.200 -0.086 0.000 1.021 305 S HN 0.865 nan 8.310 nan 0.000 0.483 306 Q N 1.401 121.191 119.800 -0.016 0.000 2.456 306 Q HA 0.385 4.705 4.340 -0.034 0.000 0.284 306 Q C -1.229 174.791 176.000 0.033 0.000 1.061 306 Q CA -0.987 54.820 55.803 0.006 0.000 0.799 306 Q CB 1.439 30.180 28.738 0.005 0.000 1.445 306 Q HN 0.518 nan 8.270 nan 0.000 0.411 307 Q N 1.211 121.025 119.800 0.023 0.000 2.288 307 Q HA 0.456 4.776 4.340 -0.034 0.000 0.254 307 Q C -0.358 175.660 176.000 0.031 0.000 0.932 307 Q CA 0.008 55.828 55.803 0.029 0.000 0.902 307 Q CB 0.976 29.725 28.738 0.018 0.000 1.203 307 Q HN 0.407 nan 8.270 nan 0.000 0.415 308 I N 1.849 122.440 120.570 0.034 0.000 2.439 308 I HA 0.284 4.434 4.170 -0.034 0.000 0.285 308 I C -0.330 175.794 176.117 0.013 0.000 1.021 308 I CA -0.346 60.965 61.300 0.018 0.000 1.091 308 I CB 1.637 39.639 38.000 0.003 0.000 1.242 308 I HN 0.362 nan 8.210 nan 0.000 0.439 309 S N 4.569 120.277 115.700 0.014 0.000 2.568 309 S HA 0.394 4.843 4.470 -0.034 0.000 0.302 309 S C -0.116 174.499 174.600 0.026 0.000 1.082 309 S CA -0.738 57.475 58.200 0.022 0.000 1.009 309 S CB 1.982 65.199 63.200 0.029 0.000 1.069 309 S HN 0.618 nan 8.310 nan 0.000 0.500 310 N N 1.980 120.709 118.700 0.047 0.000 2.401 310 N HA 0.322 5.042 4.740 -0.034 0.000 0.255 310 N C -0.520 175.062 175.510 0.121 0.000 1.110 310 N CA -0.054 53.054 53.050 0.096 0.000 0.949 310 N CB 0.407 38.970 38.487 0.127 0.000 1.110 310 N HN 0.665 nan 8.380 nan 0.000 0.490 311 T N 1.034 115.679 114.554 0.151 0.000 2.893 311 T HA 0.645 4.974 4.350 -0.034 0.000 0.291 311 T C -0.201 174.665 174.700 0.277 0.000 1.028 311 T CA -0.836 61.363 62.100 0.165 0.000 0.995 311 T CB 0.902 69.838 68.868 0.112 0.000 1.051 311 T HN 0.266 nan 8.240 nan 0.000 0.470 312 I N 2.312 123.027 120.570 0.241 0.000 2.533 312 I HA 0.468 4.618 4.170 -0.034 0.000 0.290 312 I C -0.134 176.125 176.117 0.238 0.000 1.056 312 I CA -0.880 60.598 61.300 0.296 0.000 1.057 312 I CB 2.460 40.608 38.000 0.246 0.000 1.240 312 I HN 0.929 nan 8.210 nan 0.000 0.423 313 S N 5.563 121.419 115.700 0.260 0.000 2.472 313 S HA 0.839 5.288 4.470 -0.034 0.000 0.303 313 S C -0.914 173.910 174.600 0.373 0.000 1.099 313 S CA -0.535 57.814 58.200 0.249 0.000 1.077 313 S CB 2.275 65.589 63.200 0.190 0.000 1.031 313 S HN 0.481 nan 8.310 nan 0.000 0.487 314 F N 0.486 120.511 119.950 0.125 0.000 2.773 314 F HA 0.546 5.054 4.527 -0.032 0.000 0.314 314 F C 0.973 176.830 175.800 0.094 0.000 1.160 314 F CA -0.923 57.154 58.000 0.129 0.000 0.920 314 F CB 1.233 40.336 39.000 0.171 0.000 1.323 314 F HN 0.557 nan 8.300 nan 0.000 0.457 315 S N 0.061 115.286 115.700 -0.792 0.000 2.453 315 S HA 0.103 4.553 4.470 -0.034 0.000 0.231 315 S C 0.229 174.616 174.600 -0.355 0.000 1.005 315 S CA 1.122 58.985 58.200 -0.561 0.000 0.949 315 S CB -0.341 62.431 63.200 -0.713 0.000 0.774 315 S HN 0.715 nan 8.310 nan 0.000 0.510 316 S N -1.178 114.335 115.700 -0.311 0.000 2.776 316 S HA 0.449 4.898 4.470 -0.034 0.000 0.292 316 S C -0.634 174.083 174.600 0.195 0.000 1.187 316 S CA -0.885 57.306 58.200 -0.016 0.000 0.834 316 S CB 0.990 64.187 63.200 -0.005 0.000 1.199 316 S HN -0.001 nan 8.310 nan 0.000 0.514 317 T N 1.795 116.442 114.554 0.155 0.000 2.902 317 T HA 0.275 4.605 4.350 -0.034 0.000 0.301 317 T C 0.089 174.918 174.700 0.215 0.000 1.012 317 T CA -0.196 61.997 62.100 0.154 0.000 1.151 317 T CB 0.185 69.105 68.868 0.086 0.000 0.946 317 T HN 0.559 nan 8.240 nan 0.000 0.542 318 V N 5.970 125.992 119.914 0.180 0.000 2.341 318 V HA 0.113 4.213 4.120 -0.034 0.000 0.248 318 V C 1.402 177.518 176.094 0.036 0.000 1.107 318 V CA -0.553 61.821 62.300 0.124 0.000 1.069 318 V CB -1.059 30.808 31.823 0.074 0.000 1.177 318 V HN 1.116 nan 8.190 nan 0.000 0.492 319 T N 2.131 116.718 114.554 0.055 0.000 2.766 319 T HA 0.395 4.725 4.350 -0.034 0.000 0.295 319 T C 1.560 176.229 174.700 -0.050 0.000 1.024 319 T CA 0.024 62.130 62.100 0.010 0.000 1.018 319 T CB 1.359 70.251 68.868 0.039 0.000 1.002 319 T HN 0.586 nan 8.240 nan 0.000 0.532 320 A N 1.129 123.907 122.820 -0.071 0.000 1.940 320 A HA 0.097 4.397 4.320 -0.034 0.000 0.219 320 A C 2.456 179.949 177.584 -0.152 0.000 1.176 320 A CA 1.912 53.879 52.037 -0.116 0.000 0.631 320 A CB -1.703 17.237 19.000 -0.100 0.000 0.814 320 A HN 1.087 nan 8.150 nan 0.000 0.446 321 G N -0.622 108.111 108.800 -0.111 0.000 2.414 321 G HA2 -0.101 3.839 3.960 -0.034 0.000 0.215 321 G HA3 -0.101 3.839 3.960 -0.034 0.000 0.215 321 G C 1.517 176.307 174.900 -0.184 0.000 1.188 321 G CA 1.175 46.188 45.100 -0.144 0.000 0.783 321 G HN 0.313 nan 8.290 nan 0.000 0.537 322 V N 1.681 121.552 119.914 -0.071 0.000 2.332 322 V HA -0.162 3.938 4.120 -0.034 0.000 0.248 322 V C 3.341 179.306 176.094 -0.215 0.000 1.055 322 V CA 2.082 64.333 62.300 -0.082 0.000 1.038 322 V CB -0.867 30.985 31.823 0.048 0.000 0.651 322 V HN 0.483 nan 8.190 nan 0.000 0.450 323 A N -0.649 122.100 122.820 -0.117 0.000 1.902 323 A HA -0.185 4.114 4.320 -0.034 0.000 0.217 323 A C 2.452 180.004 177.584 -0.052 0.000 1.181 323 A CA 2.081 54.140 52.037 0.037 0.000 0.623 323 A CB -0.754 18.164 19.000 -0.137 0.000 0.818 323 A HN 0.343 nan 8.150 nan 0.000 0.443 324 V N 0.037 119.756 119.914 -0.326 0.000 2.515 324 V HA -0.170 3.930 4.120 -0.034 0.000 0.250 324 V C 2.328 177.987 176.094 -0.726 0.000 1.058 324 V CA 2.230 64.212 62.300 -0.529 0.000 1.064 324 V CB -0.529 30.858 31.823 -0.726 0.000 0.675 324 V HN 0.591 nan 8.190 nan 0.000 0.461 325 E N -0.264 119.480 120.200 -0.760 0.000 2.051 325 E HA -0.167 4.162 4.350 -0.034 0.000 0.192 325 E C 2.242 178.371 176.600 -0.785 0.000 0.991 325 E CA 1.709 57.729 56.400 -0.634 0.000 0.799 325 E CB -0.251 29.214 29.700 -0.391 0.000 0.748 325 E HN 0.538 nan 8.360 nan 0.000 0.449 326 V N 1.045 120.383 119.914 -0.960 0.000 2.358 326 V HA -0.229 3.870 4.120 -0.034 0.000 0.246 326 V C 2.565 178.057 176.094 -1.003 0.000 1.047 326 V CA 1.819 63.384 62.300 -1.225 0.000 1.035 326 V CB -0.490 30.373 31.823 -1.601 0.000 0.658 326 V HN 0.242 nan 8.190 nan 0.000 0.452 327 S N -0.094 115.168 115.700 -0.730 0.000 2.359 327 S HA -0.228 4.222 4.470 -0.034 0.000 0.224 327 S C 2.231 176.584 174.600 -0.413 0.000 1.035 327 S CA 2.270 60.218 58.200 -0.419 0.000 1.018 327 S CB -0.311 62.847 63.200 -0.070 0.000 0.876 327 S HN 0.651 nan 8.310 nan 0.000 0.448 328 S N 0.646 116.047 115.700 -0.499 0.000 2.368 328 S HA -0.083 4.366 4.470 -0.034 0.000 0.225 328 S C 2.032 176.117 174.600 -0.858 0.000 1.030 328 S CA 1.697 59.483 58.200 -0.690 0.000 0.999 328 S CB -0.971 61.701 63.200 -0.880 0.000 0.844 328 S HN 0.698 nan 8.310 nan 0.000 0.459 329 T N 2.786 116.886 114.554 -0.757 0.000 2.684 329 T HA -0.013 4.317 4.350 -0.034 0.000 0.267 329 T C 1.764 176.293 174.700 -0.285 0.000 1.036 329 T CA 1.190 63.043 62.100 -0.412 0.000 1.148 329 T CB -0.476 68.193 68.868 -0.332 0.000 0.863 329 T HN 0.283 nan 8.240 nan 0.000 0.436 330 I N 0.840 121.197 120.570 -0.356 0.000 2.163 330 I HA -0.196 3.954 4.170 -0.034 0.000 0.243 330 I C 2.768 178.790 176.117 -0.159 0.000 1.085 330 I CA 1.505 62.662 61.300 -0.238 0.000 1.347 330 I CB -0.327 37.510 38.000 -0.273 0.000 1.044 330 I HN 0.316 nan 8.210 nan 0.000 0.408 331 E N 0.956 121.050 120.200 -0.177 0.000 2.204 331 E HA -0.298 4.032 4.350 -0.034 0.000 0.195 331 E C 2.048 178.596 176.600 -0.087 0.000 0.990 331 E CA 1.132 57.471 56.400 -0.102 0.000 0.821 331 E CB 0.100 29.763 29.700 -0.063 0.000 0.750 331 E HN 0.224 nan 8.360 nan 0.000 0.477 332 K N -0.314 120.021 120.400 -0.108 0.000 2.148 332 K HA -0.013 4.286 4.320 -0.034 0.000 0.204 332 K C 0.094 176.655 176.600 -0.065 0.000 1.050 332 K CA 1.145 57.385 56.287 -0.079 0.000 0.942 332 K CB 0.413 32.910 32.500 -0.005 0.000 0.724 332 K HN 0.169 nan 8.250 nan 0.000 0.446 333 G N -1.153 107.617 108.800 -0.051 0.000 2.378 333 G HA2 0.377 4.316 3.960 -0.034 0.000 0.302 333 G HA3 0.377 4.316 3.960 -0.034 0.000 0.302 333 G C -1.977 172.915 174.900 -0.013 0.000 1.669 333 G CA -0.693 44.391 45.100 -0.027 0.000 0.920 333 G HN -0.005 nan 8.290 nan 0.000 0.697 334 V N 2.549 122.468 119.914 0.008 0.000 2.925 334 V HA 0.648 4.747 4.120 -0.034 0.000 0.311 334 V C -0.658 175.469 176.094 0.056 0.000 1.104 334 V CA -1.015 61.301 62.300 0.026 0.000 0.954 334 V CB 2.114 33.955 31.823 0.029 0.000 1.022 334 V HN 0.734 nan 8.190 nan 0.000 0.427 335 I N 3.549 124.158 120.570 0.066 0.000 2.404 335 I HA 0.485 4.634 4.170 -0.034 0.000 0.293 335 I C -0.831 175.370 176.117 0.140 0.000 0.992 335 I CA -0.422 60.926 61.300 0.079 0.000 1.149 335 I CB 1.328 39.350 38.000 0.038 0.000 1.315 335 I HN 0.587 nan 8.210 nan 0.000 0.446 336 F N 5.447 125.400 119.950 0.005 0.000 2.518 336 F HA 0.653 5.159 4.527 -0.036 0.000 0.323 336 F C 0.720 176.533 175.800 0.022 0.000 1.129 336 F CA -0.706 57.298 58.000 0.007 0.000 0.920 336 F CB 1.614 40.630 39.000 0.027 0.000 1.160 336 F HN 0.710 nan 8.300 nan 0.000 0.440 337 A N 5.553 127.866 122.820 -0.846 0.000 2.560 337 A HA -0.276 4.024 4.320 -0.034 0.000 0.299 337 A C 1.120 178.566 177.584 -0.231 0.000 1.484 337 A CA 1.535 53.224 52.037 -0.580 0.000 0.749 337 A CB -2.247 16.338 19.000 -0.692 0.000 1.072 337 A HN 1.670 nan 8.150 nan 0.000 0.426 338 K N -4.095 116.218 120.400 -0.145 0.000 3.130 338 K HA -0.067 4.233 4.320 -0.034 0.000 0.282 338 K C 0.013 176.602 176.600 -0.019 0.000 1.145 338 K CA 1.868 58.119 56.287 -0.060 0.000 0.831 338 K CB -2.629 29.839 32.500 -0.053 0.000 1.226 338 K HN 2.312 nan 8.250 nan 0.000 0.478 339 A N 0.770 123.594 122.820 0.007 0.000 2.380 339 A HA 0.660 4.959 4.320 -0.034 0.000 0.315 339 A C 0.335 177.965 177.584 0.077 0.000 1.101 339 A CA -0.102 51.964 52.037 0.048 0.000 0.771 339 A CB 1.264 20.308 19.000 0.073 0.000 1.287 339 A HN 0.509 nan 8.150 nan 0.000 0.436 340 T N -0.736 113.855 114.554 0.062 0.000 2.802 340 T HA 0.478 4.808 4.350 -0.034 0.000 0.305 340 T C 0.536 175.287 174.700 0.085 0.000 1.053 340 T CA 0.231 62.369 62.100 0.062 0.000 1.058 340 T CB 0.399 69.288 68.868 0.035 0.000 0.988 340 T HN 1.762 nan 8.240 nan 0.000 0.539 341 V N -1.075 118.884 119.914 0.075 0.000 3.096 341 V HA 0.822 4.921 4.120 -0.034 0.000 0.319 341 V C 0.428 176.548 176.094 0.044 0.000 1.103 341 V CA -0.839 61.505 62.300 0.074 0.000 1.016 341 V CB 1.234 33.104 31.823 0.079 0.000 1.090 341 V HN 1.285 nan 8.190 nan 0.000 0.449 342 S N 0.453 116.178 115.700 0.041 0.000 2.608 342 S HA 0.284 4.733 4.470 -0.034 0.000 0.261 342 S C 1.020 175.626 174.600 0.009 0.000 1.314 342 S CA 0.109 58.324 58.200 0.026 0.000 0.992 342 S CB 1.211 64.430 63.200 0.032 0.000 0.935 342 S HN 0.935 nan 8.310 nan 0.000 0.564 343 V N 2.305 122.220 119.914 0.002 0.000 2.332 343 V HA -0.249 3.850 4.120 -0.034 0.000 0.248 343 V C 2.638 178.719 176.094 -0.022 0.000 1.055 343 V CA 2.505 64.800 62.300 -0.007 0.000 1.038 343 V CB -1.319 30.502 31.823 -0.004 0.000 0.651 343 V HN 1.075 nan 8.190 nan 0.000 0.450 344 K N 0.184 120.573 120.400 -0.017 0.000 2.148 344 K HA -0.097 4.202 4.320 -0.034 0.000 0.204 344 K C 1.802 178.340 176.600 -0.103 0.000 1.050 344 K CA 1.713 57.974 56.287 -0.043 0.000 0.942 344 K CB -0.760 31.736 32.500 -0.007 0.000 0.724 344 K HN 0.261 nan 8.250 nan 0.000 0.446 345 V N 2.390 122.275 119.914 -0.047 0.000 2.295 345 V HA -0.289 3.811 4.120 -0.034 0.000 0.246 345 V C 2.669 178.682 176.094 -0.135 0.000 1.049 345 V CA 2.414 64.683 62.300 -0.053 0.000 1.024 345 V CB -1.116 30.743 31.823 0.060 0.000 0.648 345 V HN 0.746 nan 8.190 nan 0.000 0.447 346 T N -0.977 113.532 114.554 -0.076 0.000 2.821 346 T HA -0.062 4.268 4.350 -0.034 0.000 0.267 346 T C 1.953 176.587 174.700 -0.110 0.000 1.046 346 T CA 1.320 63.376 62.100 -0.074 0.000 1.139 346 T CB -0.461 68.381 68.868 -0.043 0.000 0.871 346 T HN 0.467 nan 8.240 nan 0.000 0.454 347 A N 1.860 124.613 122.820 -0.112 0.000 1.877 347 A HA -0.011 4.289 4.320 -0.034 0.000 0.216 347 A C 2.705 180.170 177.584 -0.200 0.000 1.186 347 A CA 1.909 53.883 52.037 -0.104 0.000 0.620 347 A CB -1.090 17.865 19.000 -0.076 0.000 0.822 347 A HN 0.515 nan 8.150 nan 0.000 0.443 348 S N -0.223 115.246 115.700 -0.385 0.000 2.368 348 S HA -0.059 4.390 4.470 -0.034 0.000 0.224 348 S C 1.861 176.066 174.600 -0.658 0.000 1.029 348 S CA 1.179 58.971 58.200 -0.680 0.000 0.988 348 S CB -0.441 61.961 63.200 -1.330 0.000 0.838 348 S HN 0.482 nan 8.310 nan 0.000 0.462 349 L N 1.710 122.593 121.223 -0.567 0.000 2.042 349 L HA -0.168 4.151 4.340 -0.034 0.000 0.210 349 L C 2.759 179.705 176.870 0.127 0.000 1.076 349 L CA 1.707 56.541 54.840 -0.010 0.000 0.749 349 L CB -0.661 41.460 42.059 0.103 0.000 0.893 349 L HN 0.488 nan 8.230 nan 0.000 0.432 350 S N -0.867 114.827 115.700 -0.009 0.000 2.402 350 S HA -0.197 4.252 4.470 -0.034 0.000 0.229 350 S C 1.873 176.500 174.600 0.045 0.000 1.021 350 S CA 0.849 59.049 58.200 -0.000 0.000 0.974 350 S CB -0.180 62.981 63.200 -0.065 0.000 0.800 350 S HN 0.384 nan 8.310 nan 0.000 0.484 351 K N 1.579 121.981 120.400 0.004 0.000 2.062 351 K HA 0.178 4.477 4.320 -0.034 0.000 0.205 351 K C 2.609 179.244 176.600 0.059 0.000 1.051 351 K CA 1.025 57.316 56.287 0.006 0.000 0.941 351 K CB -0.568 31.913 32.500 -0.031 0.000 0.719 351 K HN 0.461 nan 8.250 nan 0.000 0.440 352 A N 1.929 124.843 122.820 0.156 0.000 1.892 352 A HA -0.219 4.081 4.320 -0.034 0.000 0.218 352 A C 1.946 179.700 177.584 0.284 0.000 1.188 352 A CA 1.449 53.674 52.037 0.314 0.000 0.631 352 A CB -1.058 18.278 19.000 0.560 0.000 0.822 352 A HN 0.662 nan 8.150 nan 0.000 0.447 353 W N 1.080 122.340 121.300 -0.067 0.000 2.333 353 W HA -0.195 4.444 4.660 -0.035 0.000 0.316 353 W C 1.839 178.100 176.519 -0.431 0.000 1.215 353 W CA 2.483 59.411 57.345 -0.695 0.000 1.278 353 W CB -0.934 28.002 29.460 -0.873 0.000 1.154 353 W HN 0.364 nan 8.180 nan 0.000 0.486 354 T N 1.671 116.058 114.554 -0.278 0.000 2.684 354 T HA -0.289 4.041 4.350 -0.034 0.000 0.267 354 T C 1.346 175.857 174.700 -0.316 0.000 1.036 354 T CA 2.304 64.199 62.100 -0.341 0.000 1.148 354 T CB -0.630 68.159 68.868 -0.133 0.000 0.863 354 T HN 0.241 nan 8.240 nan 0.000 0.436 355 N N 0.464 119.058 118.700 -0.176 0.000 2.396 355 N HA 0.020 4.740 4.740 -0.034 0.000 0.180 355 N C 1.823 177.247 175.510 -0.144 0.000 1.028 355 N CA 0.551 53.529 53.050 -0.120 0.000 0.893 355 N CB -0.030 38.437 38.487 -0.033 0.000 0.967 355 N HN 0.141 nan 8.380 nan 0.000 0.440 356 S N 0.214 115.796 115.700 -0.196 0.000 2.515 356 S HA -0.024 4.426 4.470 -0.034 0.000 0.231 356 S C 1.574 175.982 174.600 -0.320 0.000 0.987 356 S CA 0.558 58.647 58.200 -0.183 0.000 0.936 356 S CB -0.018 63.104 63.200 -0.130 0.000 0.766 356 S HN 0.314 nan 8.310 nan 0.000 0.528 357 Q N 1.338 120.878 119.800 -0.433 0.000 2.083 357 Q HA 0.045 4.365 4.340 -0.034 0.000 0.198 357 Q C 1.032 176.874 176.000 -0.263 0.000 0.969 357 Q CA 0.670 56.202 55.803 -0.452 0.000 0.838 357 Q CB -0.450 27.985 28.738 -0.506 0.000 0.900 357 Q HN 0.598 nan 8.270 nan 0.000 0.436 358 S N 0.145 115.729 115.700 -0.193 0.000 2.422 358 S HA 0.617 5.067 4.470 -0.034 0.000 0.308 358 S C 0.521 175.063 174.600 -0.097 0.000 1.097 358 S CA -0.444 57.680 58.200 -0.127 0.000 1.099 358 S CB 1.523 64.659 63.200 -0.106 0.000 0.976 358 S HN 0.295 nan 8.310 nan 0.000 0.471 359 G N 2.470 111.226 108.800 -0.074 0.000 2.971 359 G HA2 0.274 4.213 3.960 -0.034 0.000 0.227 359 G HA3 0.274 4.213 3.960 -0.034 0.000 0.227 359 G C 0.477 175.357 174.900 -0.034 0.000 1.214 359 G CA 0.396 45.468 45.100 -0.046 0.000 0.854 359 G HN 2.438 nan 8.290 nan 0.000 0.566 360 T N -2.575 111.970 114.554 -0.015 0.000 0.877 360 T HA 0.211 4.541 4.350 -0.034 0.000 0.737 360 T C 0.470 175.170 174.700 -0.000 0.000 0.986 360 T CA 1.377 63.477 62.100 -0.000 0.000 3.897 360 T CB -1.850 67.025 68.868 0.013 0.000 2.204 360 T HN 3.445 nan 8.240 nan 0.000 0.386 361 T N -0.768 113.789 114.554 0.005 0.000 4.568 361 T HA 0.256 4.586 4.350 -0.034 0.000 0.332 361 T C 0.437 175.146 174.700 0.015 0.000 0.791 361 T CA 0.568 62.673 62.100 0.009 0.000 2.042 361 T CB -2.173 66.700 68.868 0.008 0.000 1.906 361 T HN 2.534 nan 8.240 nan 0.000 1.014 362 A N 1.731 124.560 122.820 0.016 0.000 2.540 362 A HA 0.640 4.940 4.320 -0.034 0.000 0.239 362 A C 0.893 178.491 177.584 0.023 0.000 1.061 362 A CA 0.169 52.218 52.037 0.019 0.000 0.758 362 A CB -0.215 18.795 19.000 0.018 0.000 0.991 362 A HN 1.716 nan 8.150 nan 0.000 0.502 363 I N -1.011 119.578 120.570 0.031 0.000 2.785 363 I HA 0.648 4.797 4.170 -0.034 0.000 0.302 363 I C -0.377 175.777 176.117 0.062 0.000 1.069 363 I CA -0.663 60.665 61.300 0.047 0.000 1.045 363 I CB 2.463 40.498 38.000 0.058 0.000 1.236 363 I HN 0.340 nan 8.210 nan 0.000 0.429 364 T N 4.108 118.700 114.554 0.064 0.000 2.738 364 T HA 0.340 4.669 4.350 -0.034 0.000 0.298 364 T C -1.054 173.712 174.700 0.111 0.000 0.962 364 T CA 0.050 62.187 62.100 0.061 0.000 0.972 364 T CB -0.048 68.833 68.868 0.021 0.000 0.928 364 T HN 0.496 nan 8.240 nan 0.000 0.474 365 Y N 2.573 122.858 120.300 -0.025 0.000 2.429 365 Y HA 0.552 5.083 4.550 -0.033 0.000 0.342 365 Y C -0.254 175.605 175.900 -0.068 0.000 1.004 365 Y CA -0.694 57.384 58.100 -0.036 0.000 1.075 365 Y CB 1.584 40.020 38.460 -0.040 0.000 1.214 365 Y HN 0.508 nan 8.280 nan 0.000 0.455 366 T N 4.953 118.976 114.554 -0.885 0.000 2.841 366 T HA 0.253 4.583 4.350 -0.034 0.000 0.283 366 T C -1.084 173.004 174.700 -1.019 0.000 1.000 366 T CA -0.482 61.194 62.100 -0.707 0.000 0.977 366 T CB 0.569 69.208 68.868 -0.381 0.000 0.979 366 T HN 0.727 nan 8.240 nan 0.000 0.446 367 c N 3.655 121.791 118.600 -0.774 0.000 2.428 367 c HA 0.153 4.703 4.570 -0.034 0.000 0.362 367 c C 1.519 175.173 174.090 -0.727 0.000 1.114 367 c CA -0.562 55.265 56.329 -0.838 0.000 1.473 367 c CB -1.562 40.134 42.510 -1.356 0.000 2.003 367 c HN 0.859 nan 8.230 nan 0.000 0.526 368 D N 1.572 121.702 120.400 -0.451 0.000 2.240 368 D HA 0.018 4.638 4.640 -0.034 0.000 0.206 368 D C 0.364 176.566 176.300 -0.164 0.000 0.963 368 D CA 1.152 54.989 54.000 -0.273 0.000 0.863 368 D CB 0.367 41.017 40.800 -0.250 0.000 0.973 368 D HN 0.629 nan 8.370 nan 0.000 0.501 369 N N -1.197 117.420 118.700 -0.138 0.000 2.321 369 N HA 0.245 4.965 4.740 -0.034 0.000 0.290 369 N C -1.027 174.484 175.510 0.001 0.000 1.212 369 N CA -0.652 52.348 53.050 -0.083 0.000 0.767 369 N CB 1.434 39.903 38.487 -0.030 0.000 1.494 369 N HN -0.117 nan 8.380 nan 0.000 0.479 370 Y N 0.096 120.525 120.300 0.215 0.000 2.578 370 Y HA -0.071 4.458 4.550 -0.035 0.000 0.339 370 Y C 1.450 177.397 175.900 0.077 0.000 1.231 370 Y CA 0.106 58.315 58.100 0.181 0.000 1.461 370 Y CB 0.451 38.953 38.460 0.071 0.000 1.323 370 Y HN 0.688 nan 8.280 nan 0.000 0.590 371 D N 0.520 121.047 120.400 0.212 0.000 2.203 371 D HA -0.213 4.406 4.640 -0.034 0.000 0.199 371 D C 1.857 178.177 176.300 0.034 0.000 0.997 371 D CA 1.980 56.019 54.000 0.065 0.000 0.863 371 D CB -0.003 40.783 40.800 -0.024 0.000 0.928 371 D HN 0.534 nan 8.370 nan 0.000 0.458 372 S N -1.643 114.090 115.700 0.055 0.000 2.607 372 S HA 0.014 4.464 4.470 -0.034 0.000 0.224 372 S C 0.486 175.108 174.600 0.038 0.000 0.969 372 S CA 0.700 58.901 58.200 0.002 0.000 0.927 372 S CB 0.360 63.530 63.200 -0.050 0.000 0.772 372 S HN 0.231 nan 8.310 nan 0.000 0.533 373 D N -0.732 119.718 120.400 0.083 0.000 1.762 373 D HA -0.111 4.508 4.640 -0.034 0.000 0.198 373 D C -0.442 175.903 176.300 0.075 0.000 1.111 373 D CA 1.362 55.397 54.000 0.060 0.000 1.150 373 D CB -1.439 39.378 40.800 0.029 0.000 1.326 373 D HN 0.496 nan 8.370 nan 0.000 0.637 374 E N 1.373 121.656 120.200 0.139 0.000 2.408 374 E HA 0.375 4.705 4.350 -0.034 0.000 0.259 374 E C 0.268 176.918 176.600 0.085 0.000 1.110 374 E CA -0.023 56.465 56.400 0.146 0.000 0.929 374 E CB 0.530 30.358 29.700 0.214 0.000 0.971 374 E HN 0.099 nan 8.360 nan 0.000 0.438 375 E N 0.803 121.011 120.200 0.013 0.000 2.384 375 E HA 0.070 4.399 4.350 -0.034 0.000 0.266 375 E C -1.268 175.165 176.600 -0.277 0.000 1.012 375 E CA -0.027 56.320 56.400 -0.089 0.000 0.901 375 E CB 0.260 29.930 29.700 -0.050 0.000 0.967 375 E HN 0.385 nan 8.360 nan 0.000 0.435 376 F N 4.008 123.618 119.950 -0.568 0.000 2.444 376 F HA 0.173 4.679 4.527 -0.035 0.000 0.360 376 F C 1.070 176.646 175.800 -0.372 0.000 1.106 376 F CA 0.254 57.724 58.000 -0.883 0.000 1.170 376 F CB 0.737 39.338 39.000 -0.665 0.000 1.113 376 F HN 0.578 nan 8.300 nan 0.000 0.521 377 T N 2.500 116.848 114.554 -0.343 0.000 3.003 377 T HA 0.294 4.623 4.350 -0.034 0.000 0.261 377 T C 0.061 174.689 174.700 -0.119 0.000 1.003 377 T CA -0.328 61.711 62.100 -0.101 0.000 0.917 377 T CB 0.000 68.845 68.868 -0.038 0.000 1.084 377 T HN 0.710 nan 8.240 nan 0.000 0.522 378 R N -1.157 119.103 120.500 -0.401 0.000 3.112 378 R HA 0.579 4.899 4.340 -0.034 0.000 0.271 378 R C -0.300 175.687 176.300 -0.521 0.000 1.008 378 R CA -0.593 55.350 56.100 -0.261 0.000 0.903 378 R CB 0.252 30.497 30.300 -0.092 0.000 1.267 378 R HN 0.495 nan 8.270 nan 0.000 0.514 379 G N 0.165 108.901 108.800 -0.106 0.000 2.247 379 G HA2 0.214 4.154 3.960 -0.034 0.000 0.229 379 G HA3 0.214 4.154 3.960 -0.034 0.000 0.229 379 G C -1.473 173.608 174.900 0.300 0.000 1.345 379 G CA -0.255 44.884 45.100 0.065 0.000 1.100 379 G HN 0.822 nan 8.290 nan 0.000 0.473 380 c N 0.023 118.823 118.600 0.333 0.000 2.707 380 c HA 0.863 5.412 4.570 -0.034 0.000 0.313 380 c C 0.334 174.448 174.090 0.040 0.000 1.209 380 c CA -0.394 55.972 56.329 0.062 0.000 1.635 380 c CB 1.266 43.620 42.510 -0.260 0.000 2.206 380 c HN 0.900 nan 8.230 nan 0.000 0.485 381 M N 2.001 121.480 119.600 -0.202 0.000 2.268 381 M HA 0.544 5.004 4.480 -0.034 0.000 0.344 381 M C -1.990 174.135 176.300 -0.292 0.000 1.106 381 M CA 0.027 55.256 55.300 -0.118 0.000 1.010 381 M CB 0.898 33.458 32.600 -0.066 0.000 1.649 381 M HN 0.808 nan 8.290 nan 0.000 0.443 382 W N 3.460 124.791 121.300 0.051 0.000 2.702 382 W HA 0.489 5.130 4.660 -0.032 0.000 0.331 382 W C -0.718 175.926 176.519 0.209 0.000 1.049 382 W CA -0.407 57.005 57.345 0.111 0.000 1.230 382 W CB 1.423 30.901 29.460 0.030 0.000 1.408 382 W HN 0.520 nan 8.180 nan 0.000 0.492 383 Q N 2.662 122.745 119.800 0.472 0.000 2.312 383 Q HA 0.509 4.828 4.340 -0.034 0.000 0.263 383 Q C -0.867 175.309 176.000 0.293 0.000 0.995 383 Q CA -1.087 54.911 55.803 0.325 0.000 0.853 383 Q CB 1.838 30.648 28.738 0.120 0.000 1.300 383 Q HN 0.584 nan 8.270 nan 0.000 0.448 384 L N 2.840 124.073 121.223 0.018 0.000 2.483 384 L HA 0.459 4.778 4.340 -0.034 0.000 0.276 384 L C -1.113 175.554 176.870 -0.338 0.000 1.213 384 L CA 0.761 55.300 54.840 -0.502 0.000 0.843 384 L CB 0.889 42.523 42.059 -0.708 0.000 1.107 384 L HN 0.719 nan 8.230 nan 0.000 0.487 385 A N 5.967 128.586 122.820 -0.334 0.000 2.393 385 A HA 0.752 5.052 4.320 -0.034 0.000 0.306 385 A C -1.208 176.264 177.584 -0.186 0.000 1.050 385 A CA -0.592 51.327 52.037 -0.198 0.000 0.724 385 A CB 0.962 19.923 19.000 -0.066 0.000 1.248 385 A HN 0.501 nan 8.150 nan 0.000 0.424 386 I N 1.504 122.018 120.570 -0.093 0.000 2.433 386 I HA 0.485 4.635 4.170 -0.034 0.000 0.292 386 I C -0.003 176.161 176.117 0.079 0.000 1.001 386 I CA -0.236 61.071 61.300 0.011 0.000 1.119 386 I CB 1.494 39.583 38.000 0.149 0.000 1.289 386 I HN 0.835 nan 8.210 nan 0.000 0.438 387 E N 2.920 123.153 120.200 0.055 0.000 2.248 387 E HA 0.659 4.988 4.350 -0.034 0.000 0.267 387 E C -1.116 175.528 176.600 0.074 0.000 0.877 387 E CA -0.369 56.077 56.400 0.077 0.000 0.759 387 E CB 2.590 32.331 29.700 0.069 0.000 1.182 387 E HN 0.638 nan 8.360 nan 0.000 0.418 388 T N 1.070 115.692 114.554 0.113 0.000 2.821 388 T HA 0.462 4.791 4.350 -0.034 0.000 0.306 388 T C -1.477 173.368 174.700 0.243 0.000 1.313 388 T CA -0.415 61.785 62.100 0.166 0.000 1.012 388 T CB 1.844 70.809 68.868 0.162 0.000 1.298 388 T HN 0.308 nan 8.240 nan 0.000 0.502 389 T N 2.403 117.083 114.554 0.211 0.000 2.848 389 T HA 0.421 4.751 4.350 -0.034 0.000 0.285 389 T C -0.799 173.789 174.700 -0.187 0.000 0.995 389 T CA -0.608 61.533 62.100 0.068 0.000 0.970 389 T CB 1.536 70.423 68.868 0.031 0.000 0.976 389 T HN 0.670 nan 8.240 nan 0.000 0.441 390 E N 2.947 122.749 120.200 -0.664 0.000 2.217 390 E HA 0.168 4.498 4.350 -0.034 0.000 0.279 390 E C 0.729 177.025 176.600 -0.508 0.000 1.068 390 E CA -0.333 55.325 56.400 -1.238 0.000 0.882 390 E CB 0.600 29.489 29.700 -1.352 0.000 1.039 390 E HN 0.379 nan 8.360 nan 0.000 0.418 391 V N 6.085 125.776 119.914 -0.372 0.000 2.427 391 V HA -0.295 3.805 4.120 -0.034 0.000 0.248 391 V C 2.303 178.315 176.094 -0.135 0.000 1.051 391 V CA 2.321 64.522 62.300 -0.165 0.000 1.048 391 V CB -0.688 31.090 31.823 -0.077 0.000 0.666 391 V HN 0.755 nan 8.190 nan 0.000 0.456 392 K N 1.813 122.123 120.400 -0.150 0.000 2.103 392 K HA -0.193 4.107 4.320 -0.034 0.000 0.207 392 K C 2.053 178.603 176.600 -0.083 0.000 1.048 392 K CA 2.172 58.404 56.287 -0.092 0.000 0.930 392 K CB -0.507 31.953 32.500 -0.068 0.000 0.716 392 K HN 0.579 nan 8.250 nan 0.000 0.444 393 S N -1.025 114.608 115.700 -0.112 0.000 2.497 393 S HA 0.253 4.703 4.470 -0.034 0.000 0.218 393 S C 1.575 176.125 174.600 -0.083 0.000 1.023 393 S CA 0.131 58.277 58.200 -0.089 0.000 0.913 393 S CB 0.324 63.467 63.200 -0.095 0.000 0.800 393 S HN 0.657 nan 8.310 nan 0.000 0.505 394 G N 1.493 110.237 108.800 -0.094 0.000 2.162 394 G HA2 -0.198 3.742 3.960 -0.034 0.000 0.260 394 G HA3 -0.198 3.742 3.960 -0.034 0.000 0.260 394 G C -0.630 174.243 174.900 -0.045 0.000 0.976 394 G CA 0.177 45.239 45.100 -0.063 0.000 0.655 394 G HN 0.547 nan 8.290 nan 0.000 0.533 395 D N 0.239 120.605 120.400 -0.057 0.000 2.317 395 D HA 0.431 5.051 4.640 -0.034 0.000 0.252 395 D C 0.622 177.022 176.300 0.167 0.000 1.174 395 D CA -0.322 53.672 54.000 -0.010 0.000 0.866 395 D CB 1.518 42.222 40.800 -0.160 0.000 1.127 395 D HN 0.275 nan 8.370 nan 0.000 0.467 396 L N 3.237 124.562 121.223 0.170 0.000 2.367 396 L HA 0.308 4.628 4.340 -0.034 0.000 0.275 396 L C -0.853 176.274 176.870 0.429 0.000 1.129 396 L CA -0.193 54.788 54.840 0.236 0.000 0.839 396 L CB 0.625 42.773 42.059 0.149 0.000 1.133 396 L HN 0.343 nan 8.230 nan 0.000 0.453 397 L N 5.700 127.167 121.223 0.407 0.000 2.329 397 L HA 0.719 5.039 4.340 -0.034 0.000 0.279 397 L C -1.260 175.750 176.870 0.232 0.000 1.014 397 L CA -0.524 54.532 54.840 0.359 0.000 0.814 397 L CB 1.742 43.864 42.059 0.105 0.000 1.257 397 L HN 0.437 nan 8.230 nan 0.000 0.424 398 V N 3.840 123.901 119.914 0.245 0.000 2.531 398 V HA 0.372 4.472 4.120 -0.034 0.000 0.301 398 V C -1.321 174.963 176.094 0.315 0.000 1.034 398 V CA -0.452 61.980 62.300 0.220 0.000 0.865 398 V CB 1.617 33.543 31.823 0.171 0.000 0.995 398 V HN 0.807 nan 8.190 nan 0.000 0.424 399 W N 5.638 126.990 121.300 0.087 0.000 2.532 399 W HA 0.560 5.197 4.660 -0.038 0.000 0.321 399 W C -0.533 176.038 176.519 0.086 0.000 1.037 399 W CA -1.125 56.305 57.345 0.142 0.000 1.220 399 W CB 1.452 31.048 29.460 0.227 0.000 1.361 399 W HN 0.537 nan 8.180 nan 0.000 0.468 400 N N 8.830 127.494 118.700 -0.060 0.000 2.706 400 N HA 0.219 4.939 4.740 -0.034 0.000 0.240 400 N C -2.685 172.591 175.510 -0.389 0.000 1.039 400 N CA -1.220 51.674 53.050 -0.260 0.000 0.888 400 N CB 1.595 40.045 38.487 -0.061 0.000 1.128 400 N HN 0.192 nan 8.380 nan 0.000 0.512 401 P HA 0.077 nan 4.420 nan 0.000 0.274 401 P C -0.307 176.853 177.300 -0.234 0.000 1.256 401 P CA -0.239 62.555 63.100 -0.509 0.000 0.795 401 P CB 1.153 32.334 31.700 -0.864 0.000 1.038 402 Q N 0.370 120.109 119.800 -0.102 0.000 3.141 402 Q HA 0.252 4.572 4.340 -0.034 0.000 0.304 402 Q C -0.263 175.654 176.000 -0.139 0.000 1.305 402 Q CA 0.230 55.977 55.803 -0.094 0.000 0.929 402 Q CB -0.881 27.828 28.738 -0.048 0.000 1.701 402 Q HN 0.380 nan 8.270 nan 0.000 0.483 403 I N 0.512 120.988 120.570 -0.157 0.000 2.418 403 I HA 0.386 4.535 4.170 -0.034 0.000 0.287 403 I C -0.713 175.416 176.117 0.019 0.000 1.008 403 I CA -0.904 60.313 61.300 -0.137 0.000 1.104 403 I CB 1.864 39.736 38.000 -0.213 0.000 1.264 403 I HN -0.095 nan 8.210 nan 0.000 0.438 404 V N 6.234 126.142 119.914 -0.010 0.000 2.789 404 V HA 0.449 4.548 4.120 -0.034 0.000 0.311 404 V C -0.456 175.626 176.094 -0.020 0.000 1.073 404 V CA -0.853 61.465 62.300 0.030 0.000 0.921 404 V CB 2.575 34.286 31.823 -0.187 0.000 1.009 404 V HN 0.595 nan 8.190 nan 0.000 0.426 405 K N 2.289 122.650 120.400 -0.065 0.000 2.292 405 K HA 0.609 4.908 4.320 -0.034 0.000 0.257 405 K C -1.295 175.368 176.600 0.104 0.000 0.940 405 K CA -0.459 55.730 56.287 -0.163 0.000 0.811 405 K CB 1.784 33.916 32.500 -0.612 0.000 1.120 405 K HN 0.692 nan 8.250 nan 0.000 0.428 406 c N 2.700 121.393 118.600 0.155 0.000 2.285 406 c HA 0.515 5.065 4.570 -0.034 0.000 0.335 406 c C 0.714 175.092 174.090 0.479 0.000 1.267 406 c CA -0.534 55.989 56.329 0.324 0.000 1.762 406 c CB -0.335 42.294 42.510 0.200 0.000 2.365 406 c HN 0.863 nan 8.230 nan 0.000 0.527 407 T N 0.279 115.187 114.554 0.591 0.000 2.838 407 T HA 0.458 4.787 4.350 -0.034 0.000 0.292 407 T C 0.394 175.283 174.700 0.316 0.000 1.113 407 T CA -0.752 61.581 62.100 0.388 0.000 1.008 407 T CB 1.333 70.302 68.868 0.169 0.000 1.259 407 T HN 0.589 nan 8.240 nan 0.000 0.520 408 R N -0.274 120.169 120.500 -0.094 0.000 2.317 408 R HA 0.310 4.630 4.340 -0.034 0.000 0.208 408 R C 0.460 176.741 176.300 -0.032 0.000 0.914 408 R CA -0.047 55.929 56.100 -0.207 0.000 1.060 408 R CB 0.005 29.982 30.300 -0.539 0.000 1.015 408 R HN 0.601 nan 8.270 nan 0.000 0.498 409 S N -1.055 114.696 115.700 0.084 0.000 2.537 409 S HA 0.241 4.690 4.470 -0.034 0.000 0.301 409 S C 0.087 174.871 174.600 0.308 0.000 1.092 409 S CA -0.780 57.495 58.200 0.125 0.000 1.048 409 S CB 1.497 64.731 63.200 0.057 0.000 1.053 409 S HN 0.332 nan 8.310 nan 0.000 0.501 410 N N 0.931 119.781 118.700 0.249 0.000 2.515 410 N HA 0.026 4.745 4.740 -0.034 0.000 0.185 410 N C -0.170 175.623 175.510 0.473 0.000 1.109 410 N CA 0.335 53.584 53.050 0.333 0.000 0.903 410 N CB 0.215 38.804 38.487 0.171 0.000 0.969 410 N HN 0.390 nan 8.380 nan 0.000 0.450 411 T N 1.135 115.860 114.554 0.285 0.000 2.869 411 T HA 0.375 4.705 4.350 -0.034 0.000 0.295 411 T C 0.360 174.932 174.700 -0.212 0.000 0.987 411 T CA -0.674 61.492 62.100 0.110 0.000 1.109 411 T CB 1.230 70.111 68.868 0.021 0.000 0.932 411 T HN 0.146 nan 8.240 nan 0.000 0.518 412 A N 5.509 128.011 122.820 -0.530 0.000 2.561 412 A HA 0.344 4.644 4.320 -0.034 0.000 0.234 412 A C -2.032 175.065 177.584 -0.810 0.000 1.055 412 A CA -1.002 50.287 52.037 -1.246 0.000 0.756 412 A CB -0.601 18.079 19.000 -0.533 0.000 0.986 412 A HN 0.522 nan 8.150 nan 0.000 0.505 413 P HA 0.038 nan 4.420 nan 0.000 0.263 413 P C 0.927 178.099 177.300 -0.213 0.000 1.175 413 P CA 0.945 63.626 63.100 -0.698 0.000 0.761 413 P CB 0.443 31.423 31.700 -1.200 0.000 0.794 414 G N 1.211 109.966 108.800 -0.076 0.000 3.181 414 G HA2 0.107 4.046 3.960 -0.034 0.000 0.219 414 G HA3 0.107 4.046 3.960 -0.034 0.000 0.219 414 G C -0.191 174.898 174.900 0.316 0.000 1.182 414 G CA 0.069 45.261 45.100 0.153 0.000 0.791 414 G HN 0.495 nan 8.290 nan 0.000 0.537 415 c N 0.386 119.061 118.600 0.124 0.000 2.507 415 c HA 0.804 5.354 4.570 -0.034 0.000 0.319 415 c C 0.882 174.694 174.090 -0.464 0.000 1.208 415 c CA -1.160 55.129 56.329 -0.066 0.000 1.619 415 c CB 0.926 43.356 42.510 -0.134 0.000 2.230 415 c HN 0.541 nan 8.230 nan 0.000 0.492 416 A N 4.840 127.242 122.820 -0.697 0.000 2.406 416 A HA 0.551 4.850 4.320 -0.034 0.000 0.243 416 A C -2.115 175.354 177.584 -0.191 0.000 1.082 416 A CA -0.503 51.024 52.037 -0.850 0.000 0.786 416 A CB -0.384 18.384 19.000 -0.386 0.000 1.029 416 A HN 0.722 nan 8.150 nan 0.000 0.495 417 P HA 0.171 nan 4.420 nan 0.000 0.270 417 P C -0.272 177.074 177.300 0.076 0.000 1.223 417 P CA 0.325 63.435 63.100 0.018 0.000 0.785 417 P CB -0.008 31.605 31.700 -0.145 0.000 0.923 418 F N -2.734 117.227 119.950 0.019 0.000 2.953 418 F HA -0.227 4.282 4.527 -0.030 0.000 0.292 418 F C 0.918 176.712 175.800 -0.011 0.000 0.747 418 F CA 1.470 59.471 58.000 0.001 0.000 1.222 418 F CB -2.693 36.308 39.000 0.000 0.000 1.457 418 F HN 0.473 nan 8.300 nan 0.000 0.383 419 T N -2.927 111.655 114.554 0.047 0.000 2.901 419 T HA 0.622 4.952 4.350 -0.034 0.000 0.293 419 T C -0.786 173.885 174.700 -0.049 0.000 1.084 419 T CA -1.107 60.999 62.100 0.010 0.000 1.008 419 T CB 2.976 71.842 68.868 -0.002 0.000 1.170 419 T HN 0.246 nan 8.240 nan 0.000 0.509 420 K N 0.783 121.147 120.400 -0.061 0.000 2.235 420 K HA 0.520 4.820 4.320 -0.034 0.000 0.266 420 K C -0.565 175.945 176.600 -0.150 0.000 0.980 420 K CA -0.829 55.402 56.287 -0.094 0.000 0.849 420 K CB 0.865 33.324 32.500 -0.068 0.000 1.098 420 K HN 0.832 nan 8.250 nan 0.000 0.445 421 c N 3.567 122.062 118.600 -0.175 0.000 2.590 421 c HA 0.032 4.581 4.570 -0.034 0.000 0.411 421 c C 1.724 175.643 174.090 -0.285 0.000 1.420 421 c CA -0.166 56.025 56.329 -0.230 0.000 1.643 421 c CB -0.479 41.915 42.510 -0.194 0.000 2.528 421 c HN 0.946 nan 8.230 nan 0.000 0.606 422 A N 3.533 126.050 122.820 -0.504 0.000 2.072 422 A HA 0.086 4.385 4.320 -0.034 0.000 0.216 422 A C 0.803 178.102 177.584 -0.475 0.000 1.156 422 A CA 0.924 52.559 52.037 -0.670 0.000 0.701 422 A CB -0.181 17.883 19.000 -1.561 0.000 0.816 422 A HN 0.968 nan 8.150 nan 0.000 0.458 423 N N -2.033 116.442 118.700 -0.376 0.000 2.697 423 N HA 0.341 5.061 4.740 -0.034 0.000 0.272 423 N C -0.207 175.196 175.510 -0.178 0.000 1.381 423 N CA -0.447 52.495 53.050 -0.180 0.000 0.797 423 N CB 0.462 38.924 38.487 -0.041 0.000 1.523 423 N HN -0.111 nan 8.380 nan 0.000 0.518 424 E N -0.293 119.778 120.200 -0.215 0.000 2.085 424 E HA -0.113 4.216 4.350 -0.034 0.000 0.194 424 E C 0.226 176.598 176.600 -0.379 0.000 0.994 424 E CA 1.536 57.676 56.400 -0.433 0.000 0.801 424 E CB -0.124 29.146 29.700 -0.717 0.000 0.743 424 E HN 0.570 nan 8.360 nan 0.000 0.453 425 D N -0.651 119.603 120.400 -0.243 0.000 2.371 425 D HA -0.053 4.567 4.640 -0.034 0.000 0.221 425 D C 0.122 176.346 176.300 -0.127 0.000 0.986 425 D CA 0.349 54.257 54.000 -0.154 0.000 0.899 425 D CB -0.166 40.577 40.800 -0.095 0.000 0.902 425 D HN 0.140 nan 8.370 nan 0.000 0.530 426 c N 1.497 120.009 118.600 -0.147 0.000 3.690 426 c HA -0.180 4.370 4.570 -0.034 0.000 0.295 426 c C 1.920 175.949 174.090 -0.100 0.000 1.283 426 c CA 0.896 57.125 56.329 -0.166 0.000 2.212 426 c CB -2.430 39.944 42.510 -0.226 0.000 1.407 426 c HN 0.516 nan 8.230 nan 0.000 0.595 427 T N -1.313 113.239 114.554 -0.003 0.000 3.037 427 T HA 0.420 4.750 4.350 -0.034 0.000 0.251 427 T C 0.266 175.103 174.700 0.227 0.000 1.079 427 T CA 0.834 62.990 62.100 0.094 0.000 1.067 427 T CB 0.037 68.976 68.868 0.119 0.000 0.948 427 T HN 1.473 nan 8.240 nan 0.000 0.496 428 F N -0.097 119.838 119.950 -0.026 0.000 2.726 428 F HA 0.799 5.305 4.527 -0.037 0.000 0.324 428 F C -1.558 174.237 175.800 -0.010 0.000 1.140 428 F CA -1.837 56.160 58.000 -0.005 0.000 0.964 428 F CB 1.047 40.046 39.000 -0.002 0.000 1.399 428 F HN -0.037 nan 8.300 nan 0.000 0.491 429 c N 0.369 118.930 118.600 -0.064 0.000 2.994 429 c HA 0.914 5.463 4.570 -0.034 0.000 0.304 429 c C -0.077 173.966 174.090 -0.078 0.000 1.273 429 c CA -0.211 56.032 56.329 -0.143 0.000 1.537 429 c CB 1.529 44.024 42.510 -0.025 0.000 2.001 429 c HN 1.080 nan 8.230 nan 0.000 0.471 430 T N -2.937 111.560 114.554 -0.096 0.000 2.858 430 T HA 0.605 4.934 4.350 -0.034 0.000 0.285 430 T C -0.689 174.008 174.700 -0.006 0.000 1.052 430 T CA -0.301 61.784 62.100 -0.026 0.000 1.009 430 T CB 1.032 69.876 68.868 -0.040 0.000 1.241 430 T HN 0.795 nan 8.240 nan 0.000 0.542 431 D N 0.568 120.979 120.400 0.019 0.000 2.697 431 D HA -0.144 4.475 4.640 -0.034 0.000 0.238 431 D C 0.382 176.706 176.300 0.041 0.000 1.152 431 D CA 0.823 54.843 54.000 0.032 0.000 0.666 431 D CB -1.267 39.549 40.800 0.028 0.000 1.037 431 D HN 0.816 nan 8.370 nan 0.000 0.423 432 I N 0.000 120.597 120.570 0.045 0.000 2.984 432 I HA 0.000 4.150 4.170 -0.034 0.000 0.288 432 I CA 0.000 61.331 61.300 0.051 0.000 1.566 432 I CB 0.000 38.034 38.000 0.056 0.000 1.214 432 I HN 0.000 nan 8.210 nan 0.000 0.494