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 2wgg_1_G DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.573 174.600 -0.044 0.000 1.055 2 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 2 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 3 Q N 3.764 123.543 119.800 -0.035 0.000 2.274 3 Q HA 0.228 4.568 4.340 0.000 0.000 0.280 3 Q C -2.229 173.709 176.000 -0.104 0.000 1.047 3 Q CA -1.113 54.666 55.803 -0.040 0.000 0.907 3 Q CB -0.152 28.586 28.738 0.001 0.000 1.171 3 Q HN 0.501 nan 8.270 nan 0.000 0.381 4 P HA -0.019 nan 4.420 nan 0.000 0.268 4 P C -0.484 176.518 177.300 -0.497 0.000 1.204 4 P CA 0.209 63.039 63.100 -0.450 0.000 0.768 4 P CB 0.811 32.081 31.700 -0.718 0.000 0.842 5 S N 0.560 116.041 115.700 -0.364 0.000 2.661 5 S HA 0.395 4.865 4.470 0.000 0.000 0.285 5 S C 1.069 175.723 174.600 0.091 0.000 1.138 5 S CA -0.449 57.743 58.200 -0.013 0.000 0.855 5 S CB 1.003 64.233 63.200 0.050 0.000 1.136 5 S HN 0.292 nan 8.310 nan 0.000 0.484 6 T N 1.503 116.275 114.554 0.363 0.000 2.777 6 T HA 0.007 4.357 4.350 0.000 0.000 0.266 6 T C 2.167 176.958 174.700 0.152 0.000 1.040 6 T CA 1.768 64.056 62.100 0.314 0.000 1.141 6 T CB -0.927 68.141 68.868 0.334 0.000 0.868 6 T HN 0.841 nan 8.240 nan 0.000 0.444 7 A N 3.182 126.063 122.820 0.101 0.000 1.865 7 A HA -0.181 4.139 4.320 0.000 0.000 0.217 7 A C 1.966 179.571 177.584 0.035 0.000 1.191 7 A CA 2.066 54.138 52.037 0.059 0.000 0.623 7 A CB -0.843 18.173 19.000 0.026 0.000 0.826 7 A HN 0.673 nan 8.150 nan 0.000 0.444 8 N N -0.668 118.037 118.700 0.007 0.000 2.571 8 N HA 0.231 4.971 4.740 0.000 0.000 0.189 8 N C 0.966 176.461 175.510 -0.024 0.000 1.154 8 N CA 1.300 54.340 53.050 -0.016 0.000 0.907 8 N CB -0.596 37.867 38.487 -0.039 0.000 0.977 8 N HN 0.951 nan 8.380 nan 0.000 0.449 9 G N -1.717 107.081 108.800 -0.004 0.000 2.155 9 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 9 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 9 G C 0.965 175.833 174.900 -0.053 0.000 0.983 9 G CA 0.361 45.462 45.100 0.002 0.000 0.676 9 G HN 0.697 nan 8.290 nan 0.000 0.528 10 G N -0.571 108.134 108.800 -0.157 0.000 2.408 10 G HA2 0.267 4.227 3.960 0.000 0.000 0.217 10 G HA3 0.267 4.227 3.960 0.000 0.000 0.217 10 G C 0.514 175.180 174.900 -0.390 0.000 1.150 10 G CA 0.849 45.754 45.100 -0.326 0.000 0.776 10 G HN 0.454 nan 8.290 nan 0.000 0.542 11 F N 1.654 121.620 119.950 0.027 0.000 2.450 11 F HA 0.444 4.971 4.527 0.000 0.000 0.332 11 F C -1.799 174.009 175.800 0.014 0.000 1.093 11 F CA -3.510 54.486 58.000 -0.007 0.000 1.003 11 F CB 1.391 40.408 39.000 0.029 0.000 1.151 11 F HN -0.164 nan 8.300 nan 0.000 0.474 12 P HA -0.019 nan 4.420 nan 0.000 0.267 12 P C -0.297 177.097 177.300 0.157 0.000 1.200 12 P CA -0.127 63.043 63.100 0.117 0.000 0.772 12 P CB 0.923 32.657 31.700 0.057 0.000 0.855 13 S N 1.558 117.349 115.700 0.151 0.000 2.510 13 S HA 0.229 4.699 4.470 0.000 0.000 0.279 13 S C -0.204 174.495 174.600 0.166 0.000 1.284 13 S CA -0.487 57.821 58.200 0.180 0.000 1.059 13 S CB -0.400 62.900 63.200 0.166 0.000 0.901 13 S HN 0.213 nan 8.310 nan 0.000 0.491 14 V N 6.361 126.398 119.914 0.205 0.000 2.495 14 V HA 0.657 4.777 4.120 0.000 0.000 0.298 14 V C -0.048 176.147 176.094 0.168 0.000 1.031 14 V CA -0.684 61.724 62.300 0.180 0.000 0.871 14 V CB 1.521 33.495 31.823 0.251 0.000 0.988 14 V HN 0.844 nan 8.190 nan 0.000 0.432 15 V N 2.663 122.644 119.914 0.112 0.000 2.823 15 V HA 0.772 4.892 4.120 0.000 0.000 0.312 15 V C -0.521 175.604 176.094 0.052 0.000 1.072 15 V CA -0.844 61.500 62.300 0.073 0.000 0.937 15 V CB 1.987 33.791 31.823 -0.032 0.000 1.013 15 V HN 0.477 nan 8.190 nan 0.000 0.430 16 V N 3.714 123.661 119.914 0.054 0.000 2.432 16 V HA 0.455 4.575 4.120 0.000 0.000 0.275 16 V C 1.311 177.382 176.094 -0.037 0.000 1.043 16 V CA 0.639 62.963 62.300 0.039 0.000 0.925 16 V CB 0.881 32.747 31.823 0.071 0.000 0.985 16 V HN 1.190 nan 8.190 nan 0.000 0.466 17 T N 0.379 114.908 114.554 -0.042 0.000 3.004 17 T HA 0.654 5.004 4.350 0.000 0.000 0.266 17 T C 0.238 174.892 174.700 -0.077 0.000 0.986 17 T CA 0.452 62.505 62.100 -0.080 0.000 0.902 17 T CB 0.636 69.453 68.868 -0.085 0.000 1.118 17 T HN 1.102 nan 8.240 nan 0.000 0.522 18 A N 0.958 123.747 122.820 -0.052 0.000 2.582 18 A HA 0.698 5.018 4.320 0.000 0.000 0.297 18 A C -1.224 176.343 177.584 -0.027 0.000 1.059 18 A CA -0.576 51.432 52.037 -0.048 0.000 0.705 18 A CB 1.410 20.380 19.000 -0.051 0.000 1.279 18 A HN 1.102 nan 8.150 nan 0.000 0.404 19 V N -1.384 118.508 119.914 -0.036 0.000 2.841 19 V HA 0.984 5.105 4.120 0.000 0.000 0.310 19 V C -0.500 175.584 176.094 -0.017 0.000 1.090 19 V CA -0.156 62.125 62.300 -0.032 0.000 0.930 19 V CB 1.358 33.133 31.823 -0.080 0.000 1.014 19 V HN 1.549 nan 8.190 nan 0.000 0.425 20 T N 1.845 116.400 114.554 0.002 0.000 2.900 20 T HA 0.912 5.262 4.350 0.000 0.000 0.303 20 T C -0.871 173.839 174.700 0.017 0.000 1.142 20 T CA 0.309 62.416 62.100 0.012 0.000 1.007 20 T CB 1.640 70.523 68.868 0.026 0.000 1.156 20 T HN 2.319 nan 8.240 nan 0.000 0.490 21 A N 1.852 124.686 122.820 0.024 0.000 2.582 21 A HA 0.671 4.991 4.320 0.000 0.000 0.297 21 A C -0.675 176.939 177.584 0.049 0.000 1.059 21 A CA -0.594 51.464 52.037 0.036 0.000 0.705 21 A CB 1.694 20.714 19.000 0.033 0.000 1.279 21 A HN 0.808 nan 8.150 nan 0.000 0.404 22 T N 1.002 115.592 114.554 0.060 0.000 2.829 22 T HA 0.813 5.163 4.350 0.000 0.000 0.280 22 T C -0.023 174.731 174.700 0.091 0.000 0.999 22 T CA 0.539 62.685 62.100 0.077 0.000 0.983 22 T CB 0.945 69.862 68.868 0.082 0.000 0.968 22 T HN 1.964 nan 8.240 nan 0.000 0.446 23 T N 0.115 114.728 114.554 0.099 0.000 2.804 23 T HA 0.449 4.799 4.350 0.000 0.000 0.290 23 T C 1.410 176.181 174.700 0.118 0.000 1.099 23 T CA 0.037 62.200 62.100 0.104 0.000 1.011 23 T CB 0.952 69.878 68.868 0.097 0.000 1.291 23 T HN 0.513 nan 8.240 nan 0.000 0.523 24 S N -0.259 115.513 115.700 0.121 0.000 2.481 24 S HA 0.048 4.519 4.470 0.000 0.000 0.231 24 S C 1.752 176.428 174.600 0.126 0.000 0.996 24 S CA 0.424 58.709 58.200 0.143 0.000 0.942 24 S CB -0.853 62.431 63.200 0.141 0.000 0.768 24 S HN 0.604 nan 8.310 nan 0.000 0.520 25 I N 0.343 120.977 120.570 0.107 0.000 2.494 25 I HA 0.140 4.310 4.170 0.000 0.000 0.250 25 I C 1.101 177.270 176.117 0.087 0.000 1.112 25 I CA 0.547 61.903 61.300 0.093 0.000 1.438 25 I CB 0.314 38.367 38.000 0.089 0.000 1.111 25 I HN 0.325 nan 8.210 nan 0.000 0.431 26 S N -1.165 114.590 115.700 0.092 0.000 2.565 26 S HA 0.295 4.765 4.470 0.000 0.000 0.274 26 S C -2.332 172.321 174.600 0.089 0.000 1.144 26 S CA -0.888 57.363 58.200 0.086 0.000 0.849 26 S CB 1.662 64.910 63.200 0.081 0.000 1.103 26 S HN -0.175 nan 8.310 nan 0.000 0.455 27 P HA 0.127 nan 4.420 nan 0.000 0.241 27 P C -0.348 176.988 177.300 0.061 0.000 1.191 27 P CA 0.494 63.643 63.100 0.082 0.000 0.771 27 P CB -0.068 31.691 31.700 0.098 0.000 0.929 28 D N 0.218 120.656 120.400 0.064 0.000 2.344 28 D HA 0.104 4.744 4.640 0.000 0.000 0.239 28 D C 0.984 177.326 176.300 0.070 0.000 1.064 28 D CA -0.673 53.361 54.000 0.056 0.000 0.829 28 D CB 1.461 42.293 40.800 0.054 0.000 1.129 28 D HN -0.252 nan 8.370 nan 0.000 0.506 29 I N 4.108 124.712 120.570 0.057 0.000 2.208 29 I HA -0.216 3.954 4.170 0.000 0.000 0.245 29 I C 1.802 177.986 176.117 0.112 0.000 1.097 29 I CA 1.613 62.952 61.300 0.066 0.000 1.363 29 I CB 0.015 38.025 38.000 0.016 0.000 1.051 29 I HN 0.414 nan 8.210 nan 0.000 0.413 30 E N 0.269 120.527 120.200 0.097 0.000 2.077 30 E HA -0.149 4.201 4.350 0.000 0.000 0.193 30 E C 2.342 179.056 176.600 0.190 0.000 0.989 30 E CA 1.574 58.065 56.400 0.151 0.000 0.800 30 E CB -0.480 29.280 29.700 0.100 0.000 0.746 30 E HN 0.498 nan 8.360 nan 0.000 0.452 31 S N 0.398 116.174 115.700 0.127 0.000 2.406 31 S HA -0.072 4.398 4.470 0.000 0.000 0.228 31 S C 2.083 176.752 174.600 0.115 0.000 1.020 31 S CA 1.194 59.456 58.200 0.104 0.000 0.965 31 S CB -0.222 63.024 63.200 0.075 0.000 0.798 31 S HN 0.262 nan 8.310 nan 0.000 0.488 32 T N 1.262 115.899 114.554 0.139 0.000 2.708 32 T HA -0.131 4.219 4.350 0.000 0.000 0.266 32 T C 1.316 176.142 174.700 0.210 0.000 1.037 32 T CA 0.975 63.166 62.100 0.152 0.000 1.146 32 T CB -0.312 68.645 68.868 0.149 0.000 0.865 32 T HN 0.612 nan 8.240 nan 0.000 0.435 33 W N 1.992 123.304 121.300 0.019 0.000 2.335 33 W HA -0.150 4.511 4.660 0.000 0.000 0.311 33 W C 2.143 178.661 176.519 -0.001 0.000 1.213 33 W CA 1.167 58.516 57.345 0.006 0.000 1.274 33 W CB -0.128 29.331 29.460 -0.001 0.000 1.148 33 W HN 0.234 nan 8.180 nan 0.000 0.498 34 K N -0.205 120.209 120.400 0.024 0.000 2.057 34 K HA -0.125 4.195 4.320 0.000 0.000 0.207 34 K C 2.306 178.846 176.600 -0.100 0.000 1.049 34 K CA 1.465 57.693 56.287 -0.098 0.000 0.931 34 K CB -0.841 31.658 32.500 -0.002 0.000 0.714 34 K HN 0.220 nan 8.250 nan 0.000 0.440 35 G N 1.473 110.259 108.800 -0.023 0.000 2.446 35 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 35 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 35 G C 1.470 176.343 174.900 -0.045 0.000 1.168 35 G CA 0.697 45.789 45.100 -0.013 0.000 0.771 35 G HN 0.129 nan 8.290 nan 0.000 0.551 36 L N -0.125 121.067 121.223 -0.053 0.000 2.013 36 L HA -0.093 4.247 4.340 0.000 0.000 0.212 36 L C 2.928 179.672 176.870 -0.211 0.000 1.073 36 L CA 0.854 55.645 54.840 -0.080 0.000 0.753 36 L CB -0.438 41.601 42.059 -0.033 0.000 0.890 36 L HN 0.207 nan 8.230 nan 0.000 0.432 37 L N -0.512 120.492 121.223 -0.365 0.000 2.201 37 L HA -0.109 4.231 4.340 0.000 0.000 0.212 37 L C 2.467 179.205 176.870 -0.220 0.000 1.105 37 L CA 0.779 55.380 54.840 -0.399 0.000 0.775 37 L CB -0.574 41.167 42.059 -0.530 0.000 0.913 37 L HN 0.202 nan 8.230 nan 0.000 0.440 38 A N -0.074 122.657 122.820 -0.150 0.000 2.259 38 A HA 0.281 4.601 4.320 0.000 0.000 0.208 38 A C 1.709 179.261 177.584 -0.053 0.000 1.201 38 A CA 0.592 52.581 52.037 -0.081 0.000 0.824 38 A CB -0.752 18.216 19.000 -0.054 0.000 0.838 38 A HN 0.489 nan 8.150 nan 0.000 0.485 39 G N -0.120 108.643 108.800 -0.062 0.000 2.249 39 G HA2 -0.264 3.696 3.960 0.000 0.000 0.273 39 G HA3 -0.264 3.696 3.960 0.000 0.000 0.273 39 G C -0.145 174.756 174.900 0.002 0.000 1.036 39 G CA 0.494 45.580 45.100 -0.024 0.000 0.824 39 G HN 0.693 nan 8.290 nan 0.000 0.504 40 E N 0.017 120.219 120.200 0.002 0.000 2.366 40 E HA 0.476 4.826 4.350 0.000 0.000 0.266 40 E C 0.313 176.937 176.600 0.040 0.000 1.051 40 E CA 0.259 56.673 56.400 0.022 0.000 0.884 40 E CB 1.203 30.917 29.700 0.023 0.000 1.006 40 E HN 0.245 nan 8.360 nan 0.000 0.417 41 S N 0.750 116.478 115.700 0.047 0.000 2.482 41 S HA 0.418 4.888 4.470 0.000 0.000 0.303 41 S C 0.696 175.337 174.600 0.068 0.000 1.091 41 S CA -0.500 57.732 58.200 0.054 0.000 1.057 41 S CB 1.453 64.680 63.200 0.046 0.000 1.031 41 S HN 0.605 nan 8.310 nan 0.000 0.485 42 G N 3.508 112.353 108.800 0.075 0.000 2.920 42 G HA2 0.158 4.118 3.960 0.000 0.000 0.208 42 G HA3 0.158 4.118 3.960 0.000 0.000 0.208 42 G C 0.366 175.337 174.900 0.119 0.000 1.159 42 G CA 0.068 45.230 45.100 0.103 0.000 0.784 42 G HN 0.631 nan 8.290 nan 0.000 0.535 43 I N 1.618 122.225 120.570 0.062 0.000 2.396 43 I HA 0.385 4.555 4.170 0.000 0.000 0.292 43 I C 0.268 176.407 176.117 0.037 0.000 0.999 43 I CA -0.968 60.321 61.300 -0.018 0.000 1.310 43 I CB 0.500 38.478 38.000 -0.037 0.000 1.404 43 I HN 0.399 nan 8.210 nan 0.000 0.496 44 H N 2.701 121.769 119.070 -0.004 0.000 2.943 44 H HA 0.833 5.389 4.556 0.000 0.000 0.323 44 H C -0.579 174.744 175.328 -0.008 0.000 1.296 44 H CA -1.185 54.863 56.048 0.001 0.000 1.155 44 H CB 0.790 30.560 29.762 0.013 0.000 1.882 44 H HN 0.621 nan 8.280 nan 0.000 0.553 45 A N 1.165 124.089 122.820 0.173 0.000 2.477 45 A HA 0.352 4.672 4.320 0.000 0.000 0.246 45 A C -0.515 177.193 177.584 0.208 0.000 1.078 45 A CA -0.413 51.692 52.037 0.114 0.000 0.770 45 A CB -0.324 18.730 19.000 0.091 0.000 1.011 45 A HN 0.476 nan 8.150 nan 0.000 0.494 46 L N 1.745 123.016 121.223 0.079 0.000 2.410 46 L HA 0.260 4.600 4.340 0.000 0.000 0.273 46 L C 1.124 178.034 176.870 0.066 0.000 1.152 46 L CA 0.722 55.615 54.840 0.090 0.000 0.855 46 L CB 0.861 42.941 42.059 0.035 0.000 1.129 46 L HN 0.920 nan 8.230 nan 0.000 0.463 47 E N 0.366 120.610 120.200 0.074 0.000 2.490 47 E HA 0.078 4.428 4.350 0.000 0.000 0.209 47 E C -0.505 176.036 176.600 -0.099 0.000 0.971 47 E CA -0.040 56.362 56.400 0.005 0.000 0.988 47 E CB 0.311 30.025 29.700 0.023 0.000 1.029 47 E HN 0.656 nan 8.360 nan 0.000 0.496 48 D N 2.810 123.082 120.400 -0.213 0.000 2.451 48 D HA -0.080 4.560 4.640 0.000 0.000 0.254 48 D C 1.080 177.098 176.300 -0.471 0.000 1.204 48 D CA 0.254 53.952 54.000 -0.504 0.000 0.896 48 D CB 0.725 40.829 40.800 -1.159 0.000 1.136 48 D HN 0.123 nan 8.370 nan 0.000 0.499 49 E N 2.752 122.808 120.200 -0.240 0.000 2.370 49 E HA -0.382 3.968 4.350 0.000 0.000 0.232 49 E C 1.776 178.344 176.600 -0.054 0.000 1.117 49 E CA 1.707 58.042 56.400 -0.109 0.000 0.963 49 E CB -1.015 28.659 29.700 -0.043 0.000 0.810 49 E HN 0.833 nan 8.360 nan 0.000 0.464 50 F N 0.450 120.440 119.950 0.068 0.000 2.699 50 F HA 0.085 4.612 4.527 0.000 0.000 0.298 50 F C 2.077 177.980 175.800 0.172 0.000 1.154 50 F CA 0.250 58.316 58.000 0.110 0.000 1.457 50 F CB -0.281 38.910 39.000 0.318 0.000 1.106 50 F HN -0.208 nan 8.300 nan 0.000 0.585 51 V N 1.567 121.607 119.914 0.208 0.000 2.343 51 V HA -0.294 3.826 4.120 0.000 0.000 0.247 51 V C 2.820 179.023 176.094 0.181 0.000 1.051 51 V CA 2.519 64.964 62.300 0.242 0.000 1.036 51 V CB -1.168 30.711 31.823 0.094 0.000 0.654 51 V HN 0.680 nan 8.190 nan 0.000 0.451 52 T N -1.690 112.919 114.554 0.091 0.000 2.812 52 T HA -0.222 4.128 4.350 0.000 0.000 0.264 52 T C 1.912 176.630 174.700 0.029 0.000 1.042 52 T CA 1.490 63.621 62.100 0.052 0.000 1.140 52 T CB -0.328 68.546 68.868 0.009 0.000 0.870 52 T HN 0.396 nan 8.240 nan 0.000 0.445 53 K N -0.013 120.373 120.400 -0.023 0.000 2.113 53 K HA -0.119 4.201 4.320 0.000 0.000 0.208 53 K C 1.284 177.733 176.600 -0.252 0.000 1.047 53 K CA 1.478 57.629 56.287 -0.227 0.000 0.928 53 K CB -0.226 32.030 32.500 -0.408 0.000 0.716 53 K HN 0.649 nan 8.250 nan 0.000 0.446 54 W N 1.176 122.551 121.300 0.125 0.000 3.132 54 W HA 0.122 4.782 4.660 0.000 0.000 0.364 54 W C -0.392 176.173 176.519 0.076 0.000 1.129 54 W CA -0.972 56.428 57.345 0.092 0.000 1.815 54 W CB 0.625 30.139 29.460 0.090 0.000 1.099 54 W HN 0.046 nan 8.180 nan 0.000 0.605 55 D N 2.282 122.837 120.400 0.259 0.000 3.323 55 D HA -0.189 4.451 4.640 0.000 0.000 0.198 55 D C -0.481 175.928 176.300 0.180 0.000 1.187 55 D CA 1.079 55.187 54.000 0.180 0.000 0.932 55 D CB -0.488 40.386 40.800 0.123 0.000 0.814 55 D HN 0.146 nan 8.370 nan 0.000 0.397 56 L N 1.315 122.651 121.223 0.188 0.000 2.325 56 L HA 0.499 4.839 4.340 0.000 0.000 0.279 56 L C 1.710 178.639 176.870 0.098 0.000 1.054 56 L CA -0.545 54.388 54.840 0.155 0.000 0.804 56 L CB 1.512 43.697 42.059 0.209 0.000 1.200 56 L HN 0.294 nan 8.230 nan 0.000 0.436 57 A N 2.916 125.772 122.820 0.061 0.000 2.016 57 A HA 0.094 4.414 4.320 0.000 0.000 0.217 57 A C 0.736 178.328 177.584 0.014 0.000 1.162 57 A CA 0.449 52.504 52.037 0.029 0.000 0.662 57 A CB 0.022 19.027 19.000 0.009 0.000 0.812 57 A HN 0.390 nan 8.150 nan 0.000 0.450 58 V N 1.007 120.931 119.914 0.017 0.000 2.406 58 V HA 0.213 4.333 4.120 0.000 0.000 0.272 58 V C 0.374 176.497 176.094 0.048 0.000 1.043 58 V CA -0.056 62.241 62.300 -0.004 0.000 0.915 58 V CB 0.993 32.788 31.823 -0.047 0.000 0.988 58 V HN 0.435 nan 8.190 nan 0.000 0.466 59 K N 5.338 125.752 120.400 0.023 0.000 2.536 59 K HA 0.422 4.743 4.320 0.000 0.000 0.203 59 K C -0.220 176.384 176.600 0.006 0.000 1.063 59 K CA -0.051 56.260 56.287 0.040 0.000 1.063 59 K CB 0.694 33.215 32.500 0.036 0.000 0.843 59 K HN 0.757 nan 8.250 nan 0.000 0.521 60 I N -3.330 117.223 120.570 -0.028 0.000 2.934 60 I HA 0.859 5.029 4.170 0.000 0.000 0.306 60 I C -0.288 175.746 176.117 -0.138 0.000 1.110 60 I CA -1.044 60.203 61.300 -0.088 0.000 1.019 60 I CB 2.457 40.410 38.000 -0.079 0.000 1.227 60 I HN -0.005 nan 8.210 nan 0.000 0.434 61 G N 1.282 109.907 108.800 -0.290 0.000 2.325 61 G HA2 0.486 4.446 3.960 0.000 0.000 0.297 61 G HA3 0.486 4.446 3.960 0.000 0.000 0.297 61 G C -1.430 173.089 174.900 -0.634 0.000 1.448 61 G CA -0.308 44.605 45.100 -0.313 0.000 0.838 61 G HN 1.021 nan 8.290 nan 0.000 0.579 62 G N 0.132 108.728 108.800 -0.340 0.000 2.522 62 G HA2 0.578 4.538 3.960 0.000 0.000 0.318 62 G HA3 0.578 4.538 3.960 0.000 0.000 0.318 62 G C -0.390 174.494 174.900 -0.027 0.000 1.192 62 G CA -0.485 44.498 45.100 -0.196 0.000 0.988 62 G HN 0.594 nan 8.290 nan 0.000 0.480 63 H N 1.749 121.028 119.070 0.348 0.000 2.615 63 H HA 0.155 4.711 4.556 0.000 0.000 0.363 63 H C 0.980 176.421 175.328 0.188 0.000 1.148 63 H CA -0.244 55.950 56.048 0.243 0.000 1.401 63 H CB 1.395 31.303 29.762 0.243 0.000 1.461 63 H HN 0.275 nan 8.280 nan 0.000 0.588 64 L N 2.096 123.486 121.223 0.279 0.000 2.593 64 L HA -0.155 4.185 4.340 0.000 0.000 0.287 64 L C 1.841 178.812 176.870 0.168 0.000 1.243 64 L CA 0.111 55.069 54.840 0.196 0.000 0.890 64 L CB 0.306 42.475 42.059 0.182 0.000 1.134 64 L HN 0.564 nan 8.230 nan 0.000 0.502 65 K N 1.786 122.266 120.400 0.134 0.000 2.063 65 K HA -0.146 4.174 4.320 0.000 0.000 0.208 65 K C 0.308 176.957 176.600 0.082 0.000 1.048 65 K CA 1.437 57.783 56.287 0.098 0.000 0.928 65 K CB -0.007 32.545 32.500 0.087 0.000 0.713 65 K HN 0.558 nan 8.250 nan 0.000 0.442 66 D N 0.224 120.684 120.400 0.100 0.000 2.440 66 D HA 0.291 4.931 4.640 0.000 0.000 0.239 66 D C -2.695 173.667 176.300 0.104 0.000 1.084 66 D CA -2.613 51.444 54.000 0.095 0.000 0.843 66 D CB 1.256 42.144 40.800 0.146 0.000 1.097 66 D HN -0.081 nan 8.370 nan 0.000 0.531 67 P HA 0.013 nan 4.420 nan 0.000 0.268 67 P C 1.158 178.505 177.300 0.080 0.000 1.205 67 P CA -0.485 62.661 63.100 0.078 0.000 0.771 67 P CB 1.137 32.855 31.700 0.030 0.000 0.858 68 V N 1.993 121.983 119.914 0.126 0.000 2.332 68 V HA -0.227 3.893 4.120 0.000 0.000 0.248 68 V C 1.346 177.467 176.094 0.045 0.000 1.055 68 V CA 2.049 64.396 62.300 0.077 0.000 1.038 68 V CB -0.829 30.923 31.823 -0.118 0.000 0.651 68 V HN 0.570 nan 8.190 nan 0.000 0.450 69 D N -0.084 120.333 120.400 0.029 0.000 2.363 69 D HA -0.042 4.598 4.640 0.000 0.000 0.226 69 D C 2.214 178.489 176.300 -0.041 0.000 1.020 69 D CA 1.130 55.136 54.000 0.009 0.000 0.892 69 D CB -0.027 40.803 40.800 0.051 0.000 0.900 69 D HN 0.625 nan 8.370 nan 0.000 0.531 70 S N -0.769 114.852 115.700 -0.131 0.000 2.515 70 S HA -0.110 4.360 4.470 0.000 0.000 0.231 70 S C 1.157 175.561 174.600 -0.327 0.000 0.987 70 S CA 0.530 58.583 58.200 -0.246 0.000 0.936 70 S CB -0.457 62.547 63.200 -0.326 0.000 0.766 70 S HN 0.389 nan 8.310 nan 0.000 0.528 71 H N 0.180 119.251 119.070 0.002 0.000 2.505 71 H HA 0.443 4.999 4.556 0.000 0.000 0.286 71 H C -0.234 175.088 175.328 -0.009 0.000 1.072 71 H CA -0.298 55.748 56.048 -0.002 0.000 1.141 71 H CB 0.215 29.974 29.762 -0.004 0.000 1.550 71 H HN 0.281 nan 8.280 nan 0.000 0.547 72 M N 1.041 120.676 119.600 0.057 0.000 2.253 72 M HA 0.337 4.817 4.480 0.000 0.000 0.314 72 M C 0.693 177.005 176.300 0.019 0.000 1.019 72 M CA -0.510 54.809 55.300 0.033 0.000 0.932 72 M CB 1.731 34.339 32.600 0.012 0.000 1.606 72 M HN 0.253 nan 8.290 nan 0.000 0.430 73 G N 1.695 110.506 108.800 0.019 0.000 2.621 73 G HA2 0.335 4.295 3.960 0.000 0.000 0.271 73 G HA3 0.335 4.295 3.960 0.000 0.000 0.271 73 G C 0.765 175.672 174.900 0.011 0.000 1.236 73 G CA -0.269 44.839 45.100 0.014 0.000 0.958 73 G HN 0.715 nan 8.290 nan 0.000 0.512 74 R N -1.016 119.489 120.500 0.010 0.000 2.091 74 R HA -0.080 4.260 4.340 0.000 0.000 0.238 74 R C 2.498 178.804 176.300 0.010 0.000 1.136 74 R CA 1.068 57.174 56.100 0.010 0.000 0.959 74 R CB -0.847 29.459 30.300 0.009 0.000 0.856 74 R HN 0.435 nan 8.270 nan 0.000 0.437 75 L N 0.558 121.785 121.223 0.008 0.000 1.994 75 L HA -0.163 4.177 4.340 0.000 0.000 0.208 75 L C 1.334 178.207 176.870 0.006 0.000 1.071 75 L CA 2.009 56.853 54.840 0.006 0.000 0.745 75 L CB -0.597 41.465 42.059 0.004 0.000 0.892 75 L HN 0.143 nan 8.230 nan 0.000 0.431 76 D N -0.896 119.507 120.400 0.004 0.000 2.190 76 D HA -0.199 4.441 4.640 0.000 0.000 0.200 76 D C 2.157 178.460 176.300 0.005 0.000 0.992 76 D CA 1.165 55.165 54.000 0.001 0.000 0.854 76 D CB -0.107 40.692 40.800 -0.002 0.000 0.936 76 D HN 0.291 nan 8.370 nan 0.000 0.462 77 M N -0.251 119.356 119.600 0.011 0.000 2.296 77 M HA -0.027 4.453 4.480 0.000 0.000 0.265 77 M C 1.942 178.256 176.300 0.023 0.000 1.064 77 M CA 0.973 56.286 55.300 0.021 0.000 1.109 77 M CB -0.451 32.163 32.600 0.024 0.000 1.396 77 M HN 0.009 nan 8.290 nan 0.000 0.430 78 R N -0.029 120.482 120.500 0.017 0.000 2.140 78 R HA 0.019 4.359 4.340 0.000 0.000 0.213 78 R C 2.150 178.459 176.300 0.015 0.000 1.059 78 R CA 0.730 56.840 56.100 0.017 0.000 1.000 78 R CB 0.144 30.451 30.300 0.013 0.000 0.910 78 R HN 0.405 nan 8.270 nan 0.000 0.455 79 R N -0.630 119.876 120.500 0.010 0.000 2.365 79 R HA 0.254 4.594 4.340 0.000 0.000 0.223 79 R C 0.220 176.523 176.300 0.004 0.000 0.899 79 R CA 0.152 56.256 56.100 0.006 0.000 1.059 79 R CB 0.576 30.877 30.300 0.001 0.000 1.086 79 R HN 0.014 nan 8.270 nan 0.000 0.522 80 M N 1.745 121.349 119.600 0.006 0.000 2.530 80 M HA 0.263 4.743 4.480 0.000 0.000 0.307 80 M C -0.369 175.943 176.300 0.020 0.000 1.161 80 M CA -0.962 54.340 55.300 0.003 0.000 0.903 80 M CB 2.664 35.256 32.600 -0.013 0.000 1.711 80 M HN 0.133 nan 8.290 nan 0.000 0.451 81 S N 0.874 116.590 115.700 0.027 0.000 2.608 81 S HA 0.105 4.575 4.470 0.000 0.000 0.261 81 S C 0.801 175.446 174.600 0.074 0.000 1.314 81 S CA -0.337 57.900 58.200 0.061 0.000 0.992 81 S CB 0.482 63.719 63.200 0.061 0.000 0.935 81 S HN 0.776 nan 8.310 nan 0.000 0.564 82 Y N 1.516 121.822 120.300 0.010 0.000 2.114 82 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 82 Y C 2.264 178.171 175.900 0.013 0.000 1.165 82 Y CA 2.473 60.581 58.100 0.014 0.000 1.148 82 Y CB -0.710 37.758 38.460 0.013 0.000 0.972 82 Y HN 0.532 nan 8.280 nan 0.000 0.504 83 V N -1.734 118.269 119.914 0.149 0.000 2.667 83 V HA -0.214 3.906 4.120 0.000 0.000 0.252 83 V C 1.823 177.902 176.094 -0.025 0.000 1.065 83 V CA 1.842 64.186 62.300 0.073 0.000 1.083 83 V CB -0.879 31.008 31.823 0.107 0.000 0.692 83 V HN 0.466 nan 8.190 nan 0.000 0.468 84 Q N 0.299 120.083 119.800 -0.026 0.000 2.083 84 Q HA -0.062 4.278 4.340 0.000 0.000 0.198 84 Q C 2.559 178.512 176.000 -0.080 0.000 0.969 84 Q CA 1.657 57.434 55.803 -0.042 0.000 0.838 84 Q CB -0.175 28.548 28.738 -0.025 0.000 0.900 84 Q HN 0.625 nan 8.270 nan 0.000 0.436 85 R N 0.338 120.765 120.500 -0.123 0.000 2.083 85 R HA -0.142 4.198 4.340 0.000 0.000 0.237 85 R C 2.323 178.505 176.300 -0.197 0.000 1.137 85 R CA 1.563 57.567 56.100 -0.159 0.000 0.951 85 R CB -0.441 29.740 30.300 -0.199 0.000 0.851 85 R HN 0.336 nan 8.270 nan 0.000 0.434 86 M N 0.448 119.862 119.600 -0.311 0.000 2.080 86 M HA -0.140 4.340 4.480 0.000 0.000 0.260 86 M C 2.123 178.367 176.300 -0.093 0.000 1.068 86 M CA 2.272 57.441 55.300 -0.219 0.000 1.109 86 M CB -0.450 32.015 32.600 -0.225 0.000 1.342 86 M HN 0.268 nan 8.290 nan 0.000 0.405 87 G N 0.335 109.092 108.800 -0.071 0.000 2.418 87 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 87 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 87 G C 1.515 176.393 174.900 -0.037 0.000 1.158 87 G CA 1.248 46.325 45.100 -0.038 0.000 0.771 87 G HN 0.582 nan 8.290 nan 0.000 0.545 88 K N -0.271 120.100 120.400 -0.049 0.000 2.026 88 K HA -0.068 4.252 4.320 0.000 0.000 0.208 88 K C 2.395 178.976 176.600 -0.033 0.000 1.048 88 K CA 1.285 57.547 56.287 -0.042 0.000 0.929 88 K CB -0.299 32.175 32.500 -0.043 0.000 0.713 88 K HN 0.230 nan 8.250 nan 0.000 0.439 89 L N 1.600 122.798 121.223 -0.041 0.000 1.989 89 L HA -0.147 4.193 4.340 0.000 0.000 0.211 89 L C 2.039 178.892 176.870 -0.028 0.000 1.071 89 L CA 1.684 56.499 54.840 -0.041 0.000 0.749 89 L CB -0.501 41.531 42.059 -0.045 0.000 0.890 89 L HN 0.266 nan 8.230 nan 0.000 0.431 90 L N -1.025 120.189 121.223 -0.015 0.000 2.109 90 L HA -0.042 4.298 4.340 0.000 0.000 0.207 90 L C 2.536 179.428 176.870 0.036 0.000 1.086 90 L CA 0.974 55.820 54.840 0.009 0.000 0.760 90 L CB -1.431 40.638 42.059 0.016 0.000 0.910 90 L HN 0.456 nan 8.230 nan 0.000 0.437 91 G N 0.152 108.970 108.800 0.029 0.000 2.440 91 G HA2 -0.210 3.751 3.960 0.000 0.000 0.218 91 G HA3 -0.210 3.751 3.960 0.000 0.000 0.218 91 G C 1.588 176.538 174.900 0.084 0.000 1.154 91 G CA 0.819 45.949 45.100 0.050 0.000 0.767 91 G HN 0.478 nan 8.290 nan 0.000 0.552 92 G N -0.043 108.787 108.800 0.050 0.000 2.403 92 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 92 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 92 G C 1.794 176.757 174.900 0.104 0.000 1.154 92 G CA 0.952 46.098 45.100 0.076 0.000 0.784 92 G HN 0.505 nan 8.290 nan 0.000 0.538 93 Q N -0.685 119.149 119.800 0.057 0.000 2.079 93 Q HA -0.010 4.330 4.340 0.000 0.000 0.200 93 Q C 2.466 178.511 176.000 0.074 0.000 0.974 93 Q CA 0.946 56.773 55.803 0.041 0.000 0.840 93 Q CB -0.217 28.522 28.738 0.003 0.000 0.898 93 Q HN 0.410 nan 8.270 nan 0.000 0.430 94 L N -0.079 121.211 121.223 0.111 0.000 2.056 94 L HA -0.145 4.195 4.340 0.000 0.000 0.207 94 L C 1.889 178.870 176.870 0.186 0.000 1.078 94 L CA 1.676 56.594 54.840 0.131 0.000 0.749 94 L CB -0.519 41.637 42.059 0.162 0.000 0.901 94 L HN 0.386 nan 8.230 nan 0.000 0.433 95 W N 0.594 121.893 121.300 -0.001 0.000 2.355 95 W HA -0.224 4.436 4.660 0.000 0.000 0.309 95 W C 2.287 178.794 176.519 -0.019 0.000 1.206 95 W CA 1.764 59.103 57.345 -0.011 0.000 1.284 95 W CB 0.044 29.505 29.460 0.002 0.000 1.145 95 W HN 0.296 nan 8.180 nan 0.000 0.502 96 E N -0.004 120.278 120.200 0.137 0.000 2.048 96 E HA -0.251 4.099 4.350 0.000 0.000 0.202 96 E C 2.045 178.614 176.600 -0.051 0.000 1.021 96 E CA 2.203 58.616 56.400 0.022 0.000 0.825 96 E CB -0.726 28.998 29.700 0.039 0.000 0.756 96 E HN 0.085 nan 8.360 nan 0.000 0.454 97 S N 0.480 116.160 115.700 -0.032 0.000 2.419 97 S HA -0.152 4.318 4.470 0.000 0.000 0.235 97 S C 1.869 176.403 174.600 -0.109 0.000 1.019 97 S CA 0.969 59.136 58.200 -0.055 0.000 0.982 97 S CB -0.074 63.107 63.200 -0.031 0.000 0.789 97 S HN 0.375 nan 8.310 nan 0.000 0.490 98 A N 0.114 122.827 122.820 -0.180 0.000 2.251 98 A HA 0.517 4.837 4.320 0.000 0.000 0.209 98 A C 1.577 178.968 177.584 -0.323 0.000 1.187 98 A CA 0.705 52.577 52.037 -0.275 0.000 0.823 98 A CB -0.533 18.222 19.000 -0.407 0.000 0.846 98 A HN 0.872 nan 8.150 nan 0.000 0.486 99 G N -1.556 107.081 108.800 -0.271 0.000 2.144 99 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 99 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 99 G C 0.411 175.142 174.900 -0.281 0.000 0.988 99 G CA 0.212 45.175 45.100 -0.228 0.000 0.659 99 G HN 1.225 nan 8.290 nan 0.000 0.522 100 S N 0.469 115.911 115.700 -0.429 0.000 3.447 100 S HA -0.138 4.332 4.470 0.000 0.000 0.371 100 S C -1.061 173.266 174.600 -0.454 0.000 0.951 100 S CA 1.050 58.939 58.200 -0.518 0.000 1.269 100 S CB -0.835 62.335 63.200 -0.049 0.000 0.919 100 S HN 0.992 nan 8.310 nan 0.000 0.516 101 P HA 0.277 nan 4.420 nan 0.000 0.272 101 P C -0.185 177.067 177.300 -0.081 0.000 1.240 101 P CA -0.031 62.841 63.100 -0.380 0.000 0.791 101 P CB 0.639 32.051 31.700 -0.479 0.000 0.978 102 E N 0.609 120.804 120.200 -0.008 0.000 2.113 102 E HA 0.344 4.694 4.350 0.000 0.000 0.273 102 E C -0.283 176.359 176.600 0.069 0.000 0.924 102 E CA -0.630 55.824 56.400 0.090 0.000 0.764 102 E CB 1.746 31.482 29.700 0.059 0.000 1.104 102 E HN 0.289 nan 8.360 nan 0.000 0.406 103 V N 0.092 120.082 119.914 0.126 0.000 3.103 103 V HA 0.472 4.592 4.120 0.000 0.000 0.318 103 V C 0.042 176.218 176.094 0.136 0.000 1.114 103 V CA -1.127 61.250 62.300 0.128 0.000 1.020 103 V CB 2.062 33.937 31.823 0.087 0.000 1.085 103 V HN 0.368 nan 8.190 nan 0.000 0.446 104 D N 3.300 123.792 120.400 0.154 0.000 2.346 104 D HA 0.274 4.914 4.640 0.000 0.000 0.260 104 D C -1.226 175.186 176.300 0.186 0.000 1.252 104 D CA -1.863 52.221 54.000 0.140 0.000 0.895 104 D CB 1.602 42.478 40.800 0.126 0.000 1.097 104 D HN 0.477 nan 8.370 nan 0.000 0.489 105 P HA -0.137 nan 4.420 nan 0.000 0.218 105 P C 0.317 177.715 177.300 0.163 0.000 1.148 105 P CA 0.879 64.109 63.100 0.217 0.000 0.822 105 P CB 0.409 32.188 31.700 0.132 0.000 0.784 106 D N -0.847 119.619 120.400 0.110 0.000 2.349 106 D HA -0.012 4.628 4.640 0.000 0.000 0.224 106 D C 1.331 177.679 176.300 0.080 0.000 1.029 106 D CA 0.492 54.534 54.000 0.070 0.000 0.879 106 D CB -0.057 40.772 40.800 0.050 0.000 0.906 106 D HN 0.146 nan 8.370 nan 0.000 0.528 107 R N 0.063 120.640 120.500 0.128 0.000 2.596 107 R HA 0.155 4.495 4.340 0.000 0.000 0.369 107 R C -0.432 175.982 176.300 0.190 0.000 1.042 107 R CA -0.447 55.727 56.100 0.124 0.000 1.120 107 R CB 0.275 30.648 30.300 0.121 0.000 1.353 107 R HN 0.016 nan 8.270 nan 0.000 0.564 108 F N 1.362 121.319 119.950 0.012 0.000 2.460 108 F HA 0.701 5.228 4.527 0.000 0.000 0.341 108 F C -1.016 174.778 175.800 -0.009 0.000 1.130 108 F CA -2.186 55.821 58.000 0.010 0.000 0.962 108 F CB 1.165 40.190 39.000 0.041 0.000 1.171 108 F HN 0.003 nan 8.300 nan 0.000 0.436 109 A N 4.945 127.743 122.820 -0.037 0.000 2.354 109 A HA 0.888 5.208 4.320 0.000 0.000 0.321 109 A C -1.647 175.761 177.584 -0.293 0.000 1.125 109 A CA -0.710 51.198 52.037 -0.215 0.000 0.799 109 A CB 1.700 20.664 19.000 -0.059 0.000 1.293 109 A HN 0.565 nan 8.150 nan 0.000 0.452 110 V N 0.838 120.592 119.914 -0.265 0.000 2.588 110 V HA 0.574 4.694 4.120 0.000 0.000 0.304 110 V C -0.902 175.142 176.094 -0.083 0.000 1.042 110 V CA -0.419 61.778 62.300 -0.170 0.000 0.877 110 V CB 1.756 33.441 31.823 -0.230 0.000 0.996 110 V HN 0.680 nan 8.190 nan 0.000 0.425 111 V N 5.145 125.045 119.914 -0.023 0.000 2.462 111 V HA 0.530 4.650 4.120 0.000 0.000 0.288 111 V C -0.708 175.393 176.094 0.012 0.000 1.020 111 V CA -0.479 61.819 62.300 -0.003 0.000 0.857 111 V CB 1.831 33.678 31.823 0.040 0.000 1.013 111 V HN 0.578 nan 8.190 nan 0.000 0.431 112 V N 3.713 123.625 119.914 -0.004 0.000 2.525 112 V HA 0.770 4.890 4.120 0.000 0.000 0.299 112 V C 0.698 176.793 176.094 0.002 0.000 1.034 112 V CA -0.260 62.044 62.300 0.006 0.000 0.863 112 V CB 1.975 33.797 31.823 -0.002 0.000 0.999 112 V HN 0.886 nan 8.190 nan 0.000 0.423 113 G N 3.077 111.885 108.800 0.014 0.000 2.528 113 G HA2 0.747 4.707 3.960 0.000 0.000 0.289 113 G HA3 0.747 4.707 3.960 0.000 0.000 0.289 113 G C -0.438 174.470 174.900 0.013 0.000 1.192 113 G CA -0.199 44.906 45.100 0.008 0.000 0.921 113 G HN 0.680 nan 8.290 nan 0.000 0.512 114 T N -1.323 113.237 114.554 0.011 0.000 2.802 114 T HA 0.496 4.846 4.350 0.000 0.000 0.311 114 T C 1.124 175.835 174.700 0.019 0.000 1.405 114 T CA 0.095 62.208 62.100 0.021 0.000 1.016 114 T CB 1.506 70.388 68.868 0.023 0.000 1.352 114 T HN 0.672 nan 8.240 nan 0.000 0.498 115 G N -0.369 108.448 108.800 0.028 0.000 2.396 115 G HA2 0.163 4.124 3.960 0.000 0.000 0.214 115 G HA3 0.163 4.124 3.960 0.000 0.000 0.214 115 G C 0.904 175.826 174.900 0.036 0.000 1.166 115 G CA 0.502 45.624 45.100 0.035 0.000 0.793 115 G HN 0.530 nan 8.290 nan 0.000 0.533 116 L N -2.181 119.061 121.223 0.031 0.000 2.658 116 L HA 0.468 4.808 4.340 0.000 0.000 0.201 116 L C 1.286 178.166 176.870 0.017 0.000 1.050 116 L CA 0.953 55.807 54.840 0.024 0.000 0.893 116 L CB 0.695 42.770 42.059 0.025 0.000 1.503 116 L HN 0.491 nan 8.230 nan 0.000 0.485 117 G N -0.315 108.500 108.800 0.024 0.000 2.358 117 G HA2 -0.158 3.802 3.960 0.000 0.000 0.198 117 G HA3 -0.158 3.802 3.960 0.000 0.000 0.198 117 G C 0.198 175.119 174.900 0.035 0.000 1.220 117 G CA -0.337 44.778 45.100 0.025 0.000 1.187 117 G HN 0.370 nan 8.290 nan 0.000 0.544 118 G N 0.442 109.259 108.800 0.029 0.000 3.741 118 G HA2 0.628 4.588 3.960 0.000 0.000 0.263 118 G HA3 0.628 4.588 3.960 0.000 0.000 0.263 118 G C 1.183 176.099 174.900 0.027 0.000 1.175 118 G CA 1.459 46.582 45.100 0.039 0.000 1.642 118 G HN 1.750 nan 8.290 nan 0.000 0.644 119 A N 0.948 123.778 122.820 0.017 0.000 2.019 119 A HA -0.030 4.290 4.320 0.000 0.000 0.219 119 A C 2.186 179.773 177.584 0.004 0.000 1.164 119 A CA 1.817 53.855 52.037 0.002 0.000 0.644 119 A CB -0.022 18.972 19.000 -0.010 0.000 0.805 119 A HN 0.467 nan 8.150 nan 0.000 0.449 120 E N 0.442 120.649 120.200 0.013 0.000 2.118 120 E HA -0.196 4.154 4.350 0.000 0.000 0.195 120 E C 1.897 178.518 176.600 0.035 0.000 0.992 120 E CA 1.249 57.661 56.400 0.021 0.000 0.804 120 E CB -0.363 29.356 29.700 0.031 0.000 0.741 120 E HN 0.443 nan 8.360 nan 0.000 0.458 121 R N 0.460 120.983 120.500 0.037 0.000 2.115 121 R HA 0.066 4.406 4.340 0.000 0.000 0.226 121 R C 2.373 178.697 176.300 0.040 0.000 1.100 121 R CA 0.772 56.896 56.100 0.039 0.000 0.980 121 R CB -0.667 29.654 30.300 0.035 0.000 0.875 121 R HN 0.338 nan 8.270 nan 0.000 0.445 122 I N 0.931 121.518 120.570 0.029 0.000 2.099 122 I HA -0.278 3.892 4.170 0.000 0.000 0.239 122 I C 2.479 178.630 176.117 0.058 0.000 1.066 122 I CA 1.749 63.064 61.300 0.024 0.000 1.324 122 I CB -0.675 37.318 38.000 -0.013 0.000 1.037 122 I HN -0.037 nan 8.210 nan 0.000 0.401 123 V N -1.312 118.633 119.914 0.052 0.000 2.427 123 V HA -0.248 3.872 4.120 0.000 0.000 0.248 123 V C 2.286 178.467 176.094 0.145 0.000 1.051 123 V CA 1.905 64.272 62.300 0.112 0.000 1.048 123 V CB -0.947 30.917 31.823 0.068 0.000 0.666 123 V HN 0.498 nan 8.190 nan 0.000 0.456 124 E N 1.110 121.364 120.200 0.090 0.000 2.038 124 E HA -0.222 4.128 4.350 0.000 0.000 0.195 124 E C 2.323 178.969 176.600 0.077 0.000 1.000 124 E CA 2.059 58.503 56.400 0.073 0.000 0.803 124 E CB -0.224 29.508 29.700 0.054 0.000 0.750 124 E HN 0.707 nan 8.360 nan 0.000 0.448 125 S N -0.189 115.560 115.700 0.082 0.000 2.370 125 S HA -0.202 4.268 4.470 0.000 0.000 0.226 125 S C 1.631 176.299 174.600 0.113 0.000 1.033 125 S CA 1.386 59.633 58.200 0.078 0.000 1.011 125 S CB -0.553 62.688 63.200 0.069 0.000 0.852 125 S HN 0.453 nan 8.310 nan 0.000 0.457 126 Y N 2.411 122.714 120.300 0.004 0.000 2.145 126 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 126 Y C 2.029 177.932 175.900 0.006 0.000 1.145 126 Y CA 1.712 59.814 58.100 0.003 0.000 1.148 126 Y CB -0.233 38.227 38.460 0.001 0.000 0.981 126 Y HN 0.146 nan 8.280 nan 0.000 0.507 127 D N 0.501 120.881 120.400 -0.033 0.000 2.104 127 D HA -0.205 4.435 4.640 0.000 0.000 0.194 127 D C 2.258 178.504 176.300 -0.091 0.000 0.994 127 D CA 1.665 55.597 54.000 -0.114 0.000 0.830 127 D CB -0.429 40.366 40.800 -0.008 0.000 0.959 127 D HN 0.419 nan 8.370 nan 0.000 0.452 128 L N 0.080 121.285 121.223 -0.030 0.000 2.083 128 L HA -0.119 4.221 4.340 0.000 0.000 0.209 128 L C 2.531 179.382 176.870 -0.032 0.000 1.083 128 L CA 0.778 55.606 54.840 -0.019 0.000 0.752 128 L CB -0.248 41.814 42.059 0.005 0.000 0.899 128 L HN 0.074 nan 8.230 nan 0.000 0.433 129 M N -0.421 119.157 119.600 -0.036 0.000 2.236 129 M HA -0.125 4.355 4.480 0.000 0.000 0.266 129 M C 1.911 178.169 176.300 -0.070 0.000 1.070 129 M CA 1.354 56.633 55.300 -0.034 0.000 1.137 129 M CB -0.049 32.548 32.600 -0.004 0.000 1.378 129 M HN 0.195 nan 8.290 nan 0.000 0.426 130 N N 1.135 119.750 118.700 -0.143 0.000 2.149 130 N HA -0.118 4.622 4.740 0.000 0.000 0.188 130 N C 1.589 177.036 175.510 -0.105 0.000 1.019 130 N CA 1.825 54.775 53.050 -0.167 0.000 0.857 130 N CB -0.425 37.872 38.487 -0.316 0.000 0.997 130 N HN 0.493 nan 8.380 nan 0.000 0.426 131 A N -0.727 122.041 122.820 -0.087 0.000 1.975 131 A HA 0.281 4.601 4.320 0.000 0.000 0.215 131 A C 1.765 179.327 177.584 -0.037 0.000 1.170 131 A CA 1.440 53.444 52.037 -0.055 0.000 0.656 131 A CB -0.135 18.837 19.000 -0.045 0.000 0.821 131 A HN 0.349 nan 8.150 nan 0.000 0.449 132 G N -2.152 106.629 108.800 -0.033 0.000 4.399 132 G HA2 0.533 4.493 3.960 0.000 0.000 0.268 132 G HA3 0.533 4.493 3.960 0.000 0.000 0.268 132 G C 0.577 175.467 174.900 -0.016 0.000 1.038 132 G CA 0.574 45.662 45.100 -0.021 0.000 0.811 132 G HN 1.620 nan 8.290 nan 0.000 0.408 133 G N 0.599 109.387 108.800 -0.019 0.000 2.661 133 G HA2 -0.023 3.937 3.960 0.000 0.000 0.685 133 G HA3 -0.023 3.937 3.960 0.000 0.000 0.685 133 G C -1.456 173.441 174.900 -0.006 0.000 1.298 133 G CA -0.163 44.929 45.100 -0.012 0.000 0.855 133 G HN 0.075 nan 8.290 nan 0.000 0.560 134 P HA -0.047 nan 4.420 nan 0.000 0.225 134 P C 1.436 178.739 177.300 0.005 0.000 1.148 134 P CA 0.866 63.969 63.100 0.005 0.000 0.779 134 P CB 0.164 31.868 31.700 0.006 0.000 0.780 135 R N 0.315 120.817 120.500 0.002 0.000 2.246 135 R HA 0.097 4.437 4.340 0.000 0.000 0.199 135 R C 1.927 178.228 176.300 0.003 0.000 0.984 135 R CA 0.740 56.842 56.100 0.002 0.000 1.015 135 R CB -0.466 29.834 30.300 0.001 0.000 0.930 135 R HN -0.040 nan 8.270 nan 0.000 0.475 136 K N -0.042 120.360 120.400 0.002 0.000 2.444 136 K HA 0.161 4.481 4.320 0.000 0.000 0.193 136 K C -0.334 176.271 176.600 0.007 0.000 1.024 136 K CA 0.094 56.382 56.287 0.002 0.000 1.077 136 K CB 0.607 33.105 32.500 -0.002 0.000 0.833 136 K HN -0.037 nan 8.250 nan 0.000 0.517 137 V N 1.860 121.780 119.914 0.010 0.000 2.530 137 V HA 0.027 4.147 4.120 0.000 0.000 0.282 137 V C 0.698 176.800 176.094 0.013 0.000 1.048 137 V CA -0.474 61.835 62.300 0.015 0.000 0.997 137 V CB 1.431 33.265 31.823 0.019 0.000 0.987 137 V HN 0.145 nan 8.190 nan 0.000 0.477 138 S N 6.069 121.778 115.700 0.015 0.000 2.549 138 S HA 0.155 4.625 4.470 0.000 0.000 0.286 138 S C -1.160 173.446 174.600 0.010 0.000 1.314 138 S CA -0.812 57.395 58.200 0.012 0.000 1.062 138 S CB 0.825 64.034 63.200 0.014 0.000 0.865 138 S HN 0.666 nan 8.310 nan 0.000 0.498 139 P HA -0.007 nan 4.420 nan 0.000 0.226 139 P C 0.527 177.830 177.300 0.004 0.000 1.146 139 P CA 0.998 64.101 63.100 0.005 0.000 0.773 139 P CB -0.005 31.697 31.700 0.003 0.000 0.772 140 L N -2.599 118.628 121.223 0.006 0.000 2.693 140 L HA 0.313 4.653 4.340 0.000 0.000 0.235 140 L C 2.160 179.034 176.870 0.007 0.000 1.127 140 L CA 0.143 54.986 54.840 0.005 0.000 0.914 140 L CB -0.682 41.380 42.059 0.004 0.000 1.193 140 L HN -0.115 nan 8.230 nan 0.000 0.502 141 A N 1.266 124.092 122.820 0.011 0.000 1.892 141 A HA -0.237 4.083 4.320 0.000 0.000 0.218 141 A C 2.410 180.001 177.584 0.011 0.000 1.188 141 A CA 2.506 54.551 52.037 0.015 0.000 0.631 141 A CB -0.866 18.146 19.000 0.019 0.000 0.822 141 A HN 0.295 nan 8.150 nan 0.000 0.447 142 V N -0.064 119.854 119.914 0.007 0.000 2.358 142 V HA -0.307 3.813 4.120 0.000 0.000 0.246 142 V C 2.351 178.444 176.094 -0.001 0.000 1.047 142 V CA 2.438 64.740 62.300 0.003 0.000 1.035 142 V CB -1.234 30.589 31.823 -0.000 0.000 0.658 142 V HN 0.818 nan 8.190 nan 0.000 0.452 143 Q N -0.466 119.333 119.800 -0.003 0.000 2.364 143 Q HA -0.105 4.235 4.340 0.000 0.000 0.207 143 Q C 2.055 178.052 176.000 -0.004 0.000 0.970 143 Q CA 1.948 57.748 55.803 -0.007 0.000 0.888 143 Q CB -0.355 28.378 28.738 -0.009 0.000 0.951 143 Q HN 0.648 nan 8.270 nan 0.000 0.469 144 M N -0.008 119.594 119.600 0.003 0.000 2.287 144 M HA 0.063 4.543 4.480 0.000 0.000 0.266 144 M C 1.954 178.262 176.300 0.012 0.000 1.079 144 M CA 0.914 56.219 55.300 0.009 0.000 1.146 144 M CB 0.105 32.714 32.600 0.016 0.000 1.374 144 M HN 0.190 nan 8.290 nan 0.000 0.435 145 I N 0.713 121.289 120.570 0.010 0.000 2.333 145 I HA -0.126 4.044 4.170 0.000 0.000 0.246 145 I C 1.365 177.484 176.117 0.003 0.000 1.106 145 I CA 0.151 61.456 61.300 0.009 0.000 1.411 145 I CB -0.129 37.876 38.000 0.008 0.000 1.082 145 I HN 0.336 nan 8.210 nan 0.000 0.420 146 M N 1.925 121.523 119.600 -0.002 0.000 2.290 146 M HA 0.063 4.543 4.480 0.000 0.000 0.356 146 M C -1.946 174.349 176.300 -0.008 0.000 1.448 146 M CA -0.870 54.425 55.300 -0.008 0.000 0.993 146 M CB -0.277 32.315 32.600 -0.012 0.000 1.934 146 M HN -0.223 nan 8.290 nan 0.000 0.461 147 P HA -0.161 nan 4.420 nan 0.000 0.221 147 P C 0.563 177.854 177.300 -0.015 0.000 1.145 147 P CA 1.392 64.487 63.100 -0.008 0.000 0.795 147 P CB -0.286 31.408 31.700 -0.011 0.000 0.775 148 N N -0.842 117.845 118.700 -0.023 0.000 2.521 148 N HA -0.014 4.726 4.740 0.000 0.000 0.188 148 N C 1.721 177.213 175.510 -0.030 0.000 1.146 148 N CA 0.883 53.914 53.050 -0.031 0.000 0.893 148 N CB -1.168 37.295 38.487 -0.039 0.000 0.975 148 N HN 0.082 nan 8.380 nan 0.000 0.451 149 G N 1.206 109.993 108.800 -0.021 0.000 2.459 149 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 149 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 149 G C 1.671 176.556 174.900 -0.025 0.000 1.183 149 G CA 1.410 46.497 45.100 -0.021 0.000 0.776 149 G HN 0.522 nan 8.290 nan 0.000 0.552 150 A N 1.087 123.896 122.820 -0.019 0.000 1.898 150 A HA 0.303 4.623 4.320 0.000 0.000 0.216 150 A C 2.830 180.393 177.584 -0.035 0.000 1.181 150 A CA 2.254 54.278 52.037 -0.022 0.000 0.620 150 A CB -0.823 18.172 19.000 -0.009 0.000 0.819 150 A HN 0.843 nan 8.150 nan 0.000 0.442 151 A N -0.158 122.640 122.820 -0.037 0.000 1.933 151 A HA 0.146 4.466 4.320 0.000 0.000 0.218 151 A C 2.473 180.013 177.584 -0.074 0.000 1.175 151 A CA 2.120 54.125 52.037 -0.053 0.000 0.628 151 A CB -0.914 18.054 19.000 -0.052 0.000 0.814 151 A HN 1.013 nan 8.150 nan 0.000 0.444 152 A N -0.697 122.084 122.820 -0.065 0.000 1.898 152 A HA 0.055 4.375 4.320 0.000 0.000 0.216 152 A C 2.215 179.755 177.584 -0.074 0.000 1.181 152 A CA 1.547 53.541 52.037 -0.072 0.000 0.620 152 A CB -0.964 18.002 19.000 -0.057 0.000 0.819 152 A HN 0.355 nan 8.150 nan 0.000 0.442 153 V N 0.376 120.253 119.914 -0.060 0.000 2.282 153 V HA -0.331 3.789 4.120 0.000 0.000 0.249 153 V C 2.453 178.501 176.094 -0.076 0.000 1.057 153 V CA 2.388 64.652 62.300 -0.060 0.000 1.032 153 V CB -0.672 31.123 31.823 -0.047 0.000 0.645 153 V HN 0.594 nan 8.190 nan 0.000 0.447 154 I N 0.254 120.777 120.570 -0.080 0.000 2.179 154 I HA -0.156 4.014 4.170 0.000 0.000 0.242 154 I C 2.620 178.648 176.117 -0.148 0.000 1.088 154 I CA 1.710 62.953 61.300 -0.095 0.000 1.357 154 I CB -1.009 36.950 38.000 -0.068 0.000 1.051 154 I HN 0.400 nan 8.210 nan 0.000 0.409 155 G N 0.958 109.656 108.800 -0.170 0.000 2.440 155 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 155 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 155 G C 1.634 176.417 174.900 -0.195 0.000 1.154 155 G CA 0.704 45.660 45.100 -0.240 0.000 0.767 155 G HN 0.240 nan 8.290 nan 0.000 0.552 156 L N 0.357 121.499 121.223 -0.135 0.000 2.109 156 L HA 0.076 4.416 4.340 0.000 0.000 0.207 156 L C 2.808 179.616 176.870 -0.103 0.000 1.086 156 L CA 2.234 57.012 54.840 -0.104 0.000 0.760 156 L CB -0.667 41.346 42.059 -0.077 0.000 0.910 156 L HN 0.444 nan 8.230 nan 0.000 0.437 157 Q N -0.702 119.031 119.800 -0.111 0.000 2.084 157 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 157 Q C 1.815 177.712 176.000 -0.171 0.000 0.978 157 Q CA 2.004 57.737 55.803 -0.116 0.000 0.844 157 Q CB -0.109 28.567 28.738 -0.104 0.000 0.898 157 Q HN 0.598 nan 8.270 nan 0.000 0.426 158 L N -1.182 119.910 121.223 -0.219 0.000 2.554 158 L HA 0.315 4.655 4.340 0.000 0.000 0.225 158 L C 0.980 177.777 176.870 -0.122 0.000 1.104 158 L CA 0.333 54.974 54.840 -0.333 0.000 0.866 158 L CB 0.466 42.265 42.059 -0.434 0.000 1.047 158 L HN 0.488 nan 8.230 nan 0.000 0.468 159 G N 1.198 109.940 108.800 -0.098 0.000 2.203 159 G HA2 -0.182 3.778 3.960 0.000 0.000 0.231 159 G HA3 -0.182 3.778 3.960 0.000 0.000 0.231 159 G C 0.178 175.061 174.900 -0.028 0.000 1.058 159 G CA -0.040 45.042 45.100 -0.030 0.000 0.781 159 G HN 0.429 nan 8.290 nan 0.000 0.496 160 A N -0.022 122.610 122.820 -0.313 0.000 2.347 160 A HA 0.743 5.063 4.320 0.000 0.000 0.287 160 A C 1.130 178.554 177.584 -0.267 0.000 1.199 160 A CA -0.014 51.672 52.037 -0.585 0.000 0.851 160 A CB 0.286 18.640 19.000 -1.076 0.000 1.118 160 A HN 0.522 nan 8.150 nan 0.000 0.525 161 R N 2.304 122.722 120.500 -0.137 0.000 2.535 161 R HA 0.219 4.559 4.340 0.000 0.000 0.323 161 R C 0.876 177.143 176.300 -0.055 0.000 0.979 161 R CA 0.647 56.704 56.100 -0.072 0.000 1.120 161 R CB 0.852 31.141 30.300 -0.018 0.000 1.306 161 R HN 0.693 nan 8.270 nan 0.000 0.540 162 A N 0.952 123.730 122.820 -0.071 0.000 2.423 162 A HA 0.486 4.806 4.320 0.000 0.000 0.246 162 A C 0.447 177.991 177.584 -0.066 0.000 1.278 162 A CA 0.191 52.203 52.037 -0.041 0.000 0.903 162 A CB 0.533 19.533 19.000 0.001 0.000 0.997 162 A HN 0.288 nan 8.150 nan 0.000 0.510 163 G N -1.421 107.318 108.800 -0.100 0.000 2.764 163 G HA2 0.288 4.248 3.960 0.000 0.000 0.678 163 G HA3 0.288 4.248 3.960 0.000 0.000 0.678 163 G C -1.214 173.607 174.900 -0.132 0.000 1.341 163 G CA -0.356 44.686 45.100 -0.097 0.000 0.836 163 G HN 0.798 nan 8.290 nan 0.000 0.632 164 V N 3.918 123.762 119.914 -0.116 0.000 2.447 164 V HA 0.770 4.890 4.120 0.000 0.000 0.292 164 V C 0.355 176.394 176.094 -0.092 0.000 1.021 164 V CA -0.540 61.687 62.300 -0.121 0.000 0.850 164 V CB 1.640 33.385 31.823 -0.129 0.000 1.005 164 V HN 0.951 nan 8.190 nan 0.000 0.426 165 M N 3.628 123.178 119.600 -0.083 0.000 2.535 165 M HA 0.643 5.123 4.480 0.000 0.000 0.314 165 M C -0.988 175.268 176.300 -0.073 0.000 1.153 165 M CA -0.181 55.069 55.300 -0.084 0.000 0.924 165 M CB 2.538 35.081 32.600 -0.094 0.000 1.710 165 M HN 0.599 nan 8.290 nan 0.000 0.451 166 T N 4.365 118.871 114.554 -0.082 0.000 3.009 166 T HA 0.478 4.828 4.350 0.000 0.000 0.346 166 T C -2.678 171.971 174.700 -0.085 0.000 1.092 166 T CA -0.900 61.161 62.100 -0.065 0.000 1.080 166 T CB 0.847 69.686 68.868 -0.050 0.000 1.037 166 T HN 0.428 nan 8.240 nan 0.000 0.487 167 P HA 0.453 nan 4.420 nan 0.000 0.286 167 P C -0.607 176.655 177.300 -0.063 0.000 1.269 167 P CA -0.666 62.373 63.100 -0.102 0.000 0.787 167 P CB 0.993 32.650 31.700 -0.071 0.000 0.920 168 V N 0.361 120.227 119.914 -0.079 0.000 2.384 168 V HA 0.747 4.867 4.120 0.000 0.000 0.287 168 V C 0.196 176.207 176.094 -0.139 0.000 1.020 168 V CA -0.512 61.748 62.300 -0.067 0.000 0.850 168 V CB 1.286 33.087 31.823 -0.038 0.000 0.987 168 V HN 0.614 nan 8.190 nan 0.000 0.436 169 S N 2.606 118.222 115.700 -0.141 0.000 2.828 169 S HA 0.746 5.216 4.470 0.000 0.000 0.240 169 S C 0.537 175.146 174.600 0.015 0.000 0.912 169 S CA 0.472 58.495 58.200 -0.295 0.000 1.100 169 S CB 0.305 63.170 63.200 -0.558 0.000 1.271 169 S HN 2.612 nan 8.310 nan 0.000 0.476 170 A N 2.298 125.151 122.820 0.056 0.000 5.295 170 A HA -0.384 3.936 4.320 0.000 0.000 0.313 170 A C 1.285 178.894 177.584 0.041 0.000 1.912 170 A CA 1.806 53.890 52.037 0.078 0.000 0.714 170 A CB -1.864 17.224 19.000 0.147 0.000 1.319 170 A HN 0.659 nan 8.150 nan 0.000 0.375 171 Q N 0.687 120.501 119.800 0.024 0.000 2.488 171 Q HA 0.160 4.500 4.340 0.000 0.000 0.211 171 Q C 1.781 177.841 176.000 0.100 0.000 0.967 171 Q CA 1.375 57.225 55.803 0.078 0.000 0.926 171 Q CB -0.120 28.695 28.738 0.128 0.000 0.992 171 Q HN 1.011 nan 8.270 nan 0.000 0.506 172 S N -2.321 113.397 115.700 0.030 0.000 2.557 172 S HA 0.193 4.663 4.470 0.000 0.000 0.223 172 S C 1.420 176.016 174.600 -0.006 0.000 0.969 172 S CA -0.250 57.935 58.200 -0.024 0.000 0.927 172 S CB 0.390 63.557 63.200 -0.055 0.000 0.806 172 S HN 0.065 nan 8.310 nan 0.000 0.489 173 S N 1.986 117.692 115.700 0.010 0.000 2.382 173 S HA -0.001 4.469 4.470 0.000 0.000 0.228 173 S C 2.043 176.656 174.600 0.022 0.000 1.027 173 S CA 1.381 59.585 58.200 0.006 0.000 0.991 173 S CB -0.803 62.401 63.200 0.006 0.000 0.823 173 S HN 0.766 nan 8.310 nan 0.000 0.469 174 G N 0.774 109.591 108.800 0.029 0.000 2.403 174 G HA2 -0.101 3.859 3.960 0.000 0.000 0.216 174 G HA3 -0.101 3.859 3.960 0.000 0.000 0.216 174 G C 1.544 176.466 174.900 0.036 0.000 1.154 174 G CA 0.867 45.988 45.100 0.036 0.000 0.784 174 G HN 0.517 nan 8.290 nan 0.000 0.538 175 S N -0.082 115.629 115.700 0.018 0.000 2.371 175 S HA -0.025 4.445 4.470 0.000 0.000 0.224 175 S C 2.061 176.660 174.600 -0.001 0.000 1.029 175 S CA 0.999 59.202 58.200 0.005 0.000 0.978 175 S CB -0.105 63.071 63.200 -0.040 0.000 0.833 175 S HN 0.561 nan 8.310 nan 0.000 0.466 176 E N 1.224 121.427 120.200 0.006 0.000 2.118 176 E HA -0.167 4.183 4.350 0.000 0.000 0.195 176 E C 2.160 178.839 176.600 0.131 0.000 0.992 176 E CA 0.964 57.391 56.400 0.044 0.000 0.804 176 E CB -0.199 29.546 29.700 0.075 0.000 0.741 176 E HN 0.471 nan 8.360 nan 0.000 0.458 177 A N 1.095 123.979 122.820 0.107 0.000 1.917 177 A HA -0.214 4.106 4.320 0.000 0.000 0.219 177 A C 2.125 179.775 177.584 0.110 0.000 1.182 177 A CA 1.546 53.651 52.037 0.113 0.000 0.633 177 A CB -0.687 18.353 19.000 0.066 0.000 0.819 177 A HN 0.313 nan 8.150 nan 0.000 0.448 178 I N -0.370 120.247 120.570 0.079 0.000 2.286 178 I HA -0.265 3.905 4.170 0.000 0.000 0.248 178 I C 2.946 179.094 176.117 0.052 0.000 1.115 178 I CA 0.926 62.273 61.300 0.078 0.000 1.392 178 I CB -0.399 37.658 38.000 0.095 0.000 1.065 178 I HN 0.367 nan 8.210 nan 0.000 0.418 179 A N 0.434 123.243 122.820 -0.018 0.000 1.877 179 A HA -0.239 4.081 4.320 0.000 0.000 0.216 179 A C 2.233 179.799 177.584 -0.030 0.000 1.186 179 A CA 1.613 53.595 52.037 -0.091 0.000 0.620 179 A CB -0.925 17.937 19.000 -0.230 0.000 0.822 179 A HN 0.419 nan 8.150 nan 0.000 0.443 180 H N -0.594 118.514 119.070 0.065 0.000 2.423 180 H HA 0.036 4.592 4.556 0.000 0.000 0.297 180 H C 2.546 177.897 175.328 0.039 0.000 1.075 180 H CA 1.226 57.301 56.048 0.045 0.000 1.342 180 H CB -0.382 29.387 29.762 0.012 0.000 1.395 180 H HN 0.541 nan 8.280 nan 0.000 0.530 181 A N 1.020 123.935 122.820 0.158 0.000 1.877 181 A HA -0.202 4.118 4.320 0.000 0.000 0.216 181 A C 2.362 180.004 177.584 0.097 0.000 1.186 181 A CA 1.470 53.572 52.037 0.108 0.000 0.620 181 A CB -1.173 17.894 19.000 0.112 0.000 0.822 181 A HN 0.553 nan 8.150 nan 0.000 0.443 182 W N 0.840 122.104 121.300 -0.060 0.000 2.315 182 W HA -0.255 4.405 4.660 0.000 0.000 0.323 182 W C 2.388 178.829 176.519 -0.130 0.000 1.233 182 W CA 2.364 59.644 57.345 -0.109 0.000 1.267 182 W CB -0.347 29.010 29.460 -0.172 0.000 1.160 182 W HN 0.276 nan 8.180 nan 0.000 0.474 183 R N -0.338 120.091 120.500 -0.117 0.000 2.117 183 R HA -0.262 4.078 4.340 0.000 0.000 0.243 183 R C 2.196 178.336 176.300 -0.267 0.000 1.143 183 R CA 1.989 57.894 56.100 -0.325 0.000 0.968 183 R CB -0.791 29.469 30.300 -0.067 0.000 0.863 183 R HN 0.260 nan 8.270 nan 0.000 0.444 184 Q N 0.833 120.559 119.800 -0.123 0.000 2.119 184 Q HA -0.065 4.275 4.340 0.000 0.000 0.201 184 Q C 1.787 177.712 176.000 -0.124 0.000 0.972 184 Q CA 1.432 57.185 55.803 -0.083 0.000 0.847 184 Q CB 0.035 28.760 28.738 -0.022 0.000 0.903 184 Q HN 0.370 nan 8.270 nan 0.000 0.433 185 I N -0.299 120.167 120.570 -0.173 0.000 2.193 185 I HA -0.189 3.981 4.170 0.000 0.000 0.240 185 I C 2.162 178.132 176.117 -0.244 0.000 1.084 185 I CA 1.144 62.342 61.300 -0.169 0.000 1.365 185 I CB -0.483 37.436 38.000 -0.134 0.000 1.064 185 I HN 0.239 nan 8.210 nan 0.000 0.410 186 V N -1.306 118.318 119.914 -0.484 0.000 2.490 186 V HA -0.238 3.882 4.120 0.000 0.000 0.250 186 V C 2.153 178.102 176.094 -0.240 0.000 1.061 186 V CA 1.562 63.575 62.300 -0.478 0.000 1.064 186 V CB -0.747 30.416 31.823 -1.100 0.000 0.670 186 V HN 0.365 nan 8.190 nan 0.000 0.461 187 M N 0.639 120.097 119.600 -0.236 0.000 2.619 187 M HA 0.251 4.731 4.480 0.000 0.000 0.251 187 M C 1.590 177.853 176.300 -0.063 0.000 1.106 187 M CA 1.145 56.381 55.300 -0.108 0.000 1.086 187 M CB -0.083 32.459 32.600 -0.095 0.000 1.465 187 M HN 0.756 nan 8.290 nan 0.000 0.506 188 G N 0.950 109.707 108.800 -0.072 0.000 2.130 188 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 188 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 188 G C 0.034 174.920 174.900 -0.025 0.000 0.999 188 G CA 0.362 45.441 45.100 -0.036 0.000 0.686 188 G HN 0.469 nan 8.290 nan 0.000 0.515 189 D N 0.078 120.457 120.400 -0.035 0.000 2.346 189 D HA 0.538 5.178 4.640 0.000 0.000 0.206 189 D C 1.288 177.584 176.300 -0.006 0.000 1.001 189 D CA 1.526 55.514 54.000 -0.020 0.000 0.871 189 D CB 0.456 41.240 40.800 -0.026 0.000 0.943 189 D HN 0.991 nan 8.370 nan 0.000 0.518 190 A N -0.408 122.407 122.820 -0.008 0.000 2.609 190 A HA 0.477 4.797 4.320 0.000 0.000 0.291 190 A C -0.840 176.747 177.584 0.004 0.000 1.096 190 A CA -0.665 51.382 52.037 0.017 0.000 0.684 190 A CB 1.171 20.188 19.000 0.028 0.000 1.282 190 A HN -0.133 nan 8.150 nan 0.000 0.412 191 D N -0.733 119.672 120.400 0.008 0.000 2.479 191 D HA 0.275 4.915 4.640 0.000 0.000 0.221 191 D C -0.246 175.937 176.300 -0.195 0.000 1.104 191 D CA 0.857 54.833 54.000 -0.040 0.000 0.849 191 D CB 1.578 42.410 40.800 0.053 0.000 1.072 191 D HN 0.407 nan 8.370 nan 0.000 0.502 192 V N 0.052 119.890 119.914 -0.127 0.000 3.012 192 V HA 0.772 4.892 4.120 0.000 0.000 0.307 192 V C -1.904 174.295 176.094 0.174 0.000 1.166 192 V CA -0.611 61.613 62.300 -0.127 0.000 0.974 192 V CB 2.074 33.675 31.823 -0.370 0.000 1.040 192 V HN 0.068 nan 8.190 nan 0.000 0.428 193 A N 4.767 127.704 122.820 0.196 0.000 2.520 193 A HA 0.814 5.134 4.320 0.000 0.000 0.298 193 A C -1.413 176.345 177.584 0.291 0.000 1.051 193 A CA -0.480 51.725 52.037 0.281 0.000 0.690 193 A CB 2.028 21.112 19.000 0.141 0.000 1.281 193 A HN 1.163 nan 8.150 nan 0.000 0.402 194 V N 1.414 121.541 119.914 0.356 0.000 2.465 194 V HA 0.533 4.653 4.120 0.000 0.000 0.279 194 V C 0.167 176.343 176.094 0.136 0.000 1.045 194 V CA -0.008 62.446 62.300 0.256 0.000 0.938 194 V CB 0.413 32.411 31.823 0.292 0.000 0.986 194 V HN 1.404 nan 8.190 nan 0.000 0.467 195 C N 2.595 121.965 119.300 0.116 0.000 3.170 195 C HA 1.074 5.534 4.460 0.000 0.000 0.319 195 C C 0.261 175.298 174.990 0.078 0.000 1.260 195 C CA -0.018 59.052 59.018 0.087 0.000 1.374 195 C CB 1.036 28.834 27.740 0.097 0.000 1.739 195 C HN 1.414 nan 8.230 nan 0.000 0.479 196 G N 0.209 109.047 108.800 0.064 0.000 2.439 196 G HA2 0.691 4.651 3.960 0.000 0.000 0.186 196 G HA3 0.691 4.651 3.960 0.000 0.000 0.186 196 G C -0.512 174.414 174.900 0.045 0.000 1.260 196 G CA 0.278 45.412 45.100 0.056 0.000 1.020 196 G HN 2.511 nan 8.290 nan 0.000 0.470 197 G N -1.440 107.384 108.800 0.041 0.000 2.703 197 G HA2 0.839 4.799 3.960 0.000 0.000 0.294 197 G HA3 0.839 4.799 3.960 0.000 0.000 0.294 197 G C -1.012 173.913 174.900 0.041 0.000 1.451 197 G CA 0.743 45.865 45.100 0.037 0.000 0.869 197 G HN 2.017 nan 8.290 nan 0.000 0.516 198 V N -1.983 117.956 119.914 0.042 0.000 3.078 198 V HA 1.005 5.125 4.120 0.000 0.000 0.311 198 V C -0.856 175.280 176.094 0.070 0.000 1.138 198 V CA -1.096 61.238 62.300 0.057 0.000 1.007 198 V CB 1.944 33.794 31.823 0.044 0.000 1.045 198 V HN 1.033 nan 8.190 nan 0.000 0.432 199 E N 0.810 121.072 120.200 0.103 0.000 2.430 199 E HA 0.725 5.075 4.350 0.000 0.000 0.279 199 E C -0.029 176.659 176.600 0.147 0.000 1.003 199 E CA 0.214 56.668 56.400 0.090 0.000 0.801 199 E CB 2.001 31.724 29.700 0.039 0.000 1.313 199 E HN 1.256 nan 8.360 nan 0.000 0.459 200 G N 1.468 110.297 108.800 0.048 0.000 2.616 200 G HA2 0.481 4.441 3.960 0.000 0.000 0.268 200 G HA3 0.481 4.441 3.960 0.000 0.000 0.268 200 G C -2.135 172.599 174.900 -0.277 0.000 1.213 200 G CA -0.942 44.087 45.100 -0.119 0.000 0.926 200 G HN 0.476 nan 8.290 nan 0.000 0.523 201 P HA 0.283 nan 4.420 nan 0.000 0.277 201 P C -0.002 177.148 177.300 -0.251 0.000 1.271 201 P CA -0.562 62.347 63.100 -0.318 0.000 0.795 201 P CB 1.063 32.532 31.700 -0.385 0.000 1.101 202 I N 0.800 121.294 120.570 -0.126 0.000 2.683 202 I HA 0.051 4.221 4.170 0.000 0.000 0.286 202 I C 1.177 177.332 176.117 0.063 0.000 1.175 202 I CA 1.087 62.310 61.300 -0.129 0.000 1.429 202 I CB -0.133 37.887 38.000 0.033 0.000 1.371 202 I HN 0.255 nan 8.210 nan 0.000 0.569 203 E N 3.375 123.540 120.200 -0.058 0.000 2.433 203 E HA 0.436 4.786 4.350 0.000 0.000 0.278 203 E C 0.198 176.576 176.600 -0.371 0.000 0.976 203 E CA -0.486 55.814 56.400 -0.168 0.000 0.793 203 E CB 1.945 31.545 29.700 -0.166 0.000 1.311 203 E HN 0.508 nan 8.360 nan 0.000 0.460 204 A N 1.684 124.006 122.820 -0.830 0.000 1.858 204 A HA -0.147 4.173 4.320 0.000 0.000 0.216 204 A C 2.057 179.395 177.584 -0.409 0.000 1.190 204 A CA 1.484 53.095 52.037 -0.710 0.000 0.617 204 A CB -0.672 17.761 19.000 -0.945 0.000 0.827 204 A HN 0.594 nan 8.150 nan 0.000 0.443 205 L N -0.204 120.786 121.223 -0.388 0.000 1.971 205 L HA -0.151 4.189 4.340 0.000 0.000 0.215 205 L C -0.456 176.363 176.870 -0.085 0.000 1.072 205 L CA 2.154 56.838 54.840 -0.259 0.000 0.758 205 L CB -1.134 40.795 42.059 -0.217 0.000 0.889 205 L HN 0.237 nan 8.230 nan 0.000 0.433 206 P HA -0.211 nan 4.420 nan 0.000 0.216 206 P C 1.732 179.316 177.300 0.474 0.000 1.153 206 P CA 1.701 64.936 63.100 0.225 0.000 0.858 206 P CB -0.014 31.739 31.700 0.088 0.000 0.789 207 I N -0.706 120.079 120.570 0.358 0.000 2.179 207 I HA -0.256 3.914 4.170 0.000 0.000 0.242 207 I C 2.407 178.633 176.117 0.181 0.000 1.088 207 I CA 1.504 63.031 61.300 0.377 0.000 1.357 207 I CB -0.981 37.173 38.000 0.257 0.000 1.051 207 I HN -0.101 nan 8.210 nan 0.000 0.409 208 A N 0.847 123.698 122.820 0.052 0.000 1.917 208 A HA -0.263 4.057 4.320 0.000 0.000 0.219 208 A C 2.514 180.105 177.584 0.012 0.000 1.182 208 A CA 2.321 54.350 52.037 -0.013 0.000 0.633 208 A CB -0.925 18.002 19.000 -0.122 0.000 0.819 208 A HN 0.471 nan 8.150 nan 0.000 0.448 209 A N -1.527 121.311 122.820 0.030 0.000 1.897 209 A HA 0.124 4.444 4.320 0.000 0.000 0.215 209 A C 1.958 179.510 177.584 -0.053 0.000 1.181 209 A CA 1.373 53.379 52.037 -0.052 0.000 0.620 209 A CB -0.644 18.276 19.000 -0.134 0.000 0.821 209 A HN 0.464 nan 8.150 nan 0.000 0.443 210 F N 0.895 120.910 119.950 0.107 0.000 2.206 210 F HA -0.099 4.428 4.527 0.000 0.000 0.298 210 F C 2.879 178.681 175.800 0.003 0.000 1.090 210 F CA 1.485 59.560 58.000 0.126 0.000 1.323 210 F CB -0.188 38.919 39.000 0.179 0.000 1.028 210 F HN 0.325 nan 8.300 nan 0.000 0.492 211 S N -0.664 115.105 115.700 0.115 0.000 2.515 211 S HA -0.107 4.363 4.470 0.000 0.000 0.231 211 S C 1.840 176.446 174.600 0.009 0.000 0.987 211 S CA 0.575 58.775 58.200 0.001 0.000 0.936 211 S CB -0.303 62.878 63.200 -0.032 0.000 0.766 211 S HN 0.175 nan 8.310 nan 0.000 0.528 212 M N 0.843 120.454 119.600 0.017 0.000 2.558 212 M HA 0.312 4.792 4.480 0.000 0.000 0.255 212 M C 1.595 177.895 176.300 -0.001 0.000 1.113 212 M CA 0.759 56.057 55.300 -0.003 0.000 1.097 212 M CB -1.033 31.554 32.600 -0.021 0.000 1.426 212 M HN 0.454 nan 8.290 nan 0.000 0.488 213 M N -1.462 118.153 119.600 0.025 0.000 2.556 213 M HA 0.039 4.519 4.480 0.000 0.000 0.245 213 M C 0.591 176.913 176.300 0.036 0.000 1.128 213 M CA 0.245 55.565 55.300 0.032 0.000 1.069 213 M CB 0.033 32.688 32.600 0.092 0.000 1.469 213 M HN 0.182 nan 8.290 nan 0.000 0.494 214 R N -0.434 120.079 120.500 0.022 0.000 3.875 214 R HA -0.209 4.131 4.340 0.000 0.000 0.321 214 R C 0.670 176.979 176.300 0.015 0.000 1.196 214 R CA 0.362 56.464 56.100 0.003 0.000 0.868 214 R CB -1.573 28.727 30.300 -0.001 0.000 1.333 214 R HN 0.522 nan 8.270 nan 0.000 0.522 215 A N -0.220 122.634 122.820 0.056 0.000 2.178 215 A HA 0.207 4.527 4.320 0.000 0.000 0.211 215 A C 0.915 178.437 177.584 -0.104 0.000 1.157 215 A CA 0.388 52.504 52.037 0.132 0.000 0.780 215 A CB 0.237 19.500 19.000 0.437 0.000 0.828 215 A HN 0.266 nan 8.150 nan 0.000 0.476 216 M N 0.042 119.444 119.600 -0.330 0.000 2.423 216 M HA 0.306 4.786 4.480 0.000 0.000 0.335 216 M C 0.349 176.448 176.300 -0.335 0.000 1.177 216 M CA -0.380 54.535 55.300 -0.641 0.000 1.038 216 M CB 1.733 33.881 32.600 -0.754 0.000 1.641 216 M HN 0.145 nan 8.290 nan 0.000 0.455 217 S N 0.770 116.281 115.700 -0.315 0.000 2.568 217 S HA 0.141 4.611 4.470 0.000 0.000 0.282 217 S C 0.677 175.185 174.600 -0.153 0.000 1.338 217 S CA -0.057 58.037 58.200 -0.177 0.000 1.045 217 S CB 0.308 63.424 63.200 -0.140 0.000 0.873 217 S HN 0.816 nan 8.310 nan 0.000 0.516 218 T N 1.741 116.237 114.554 -0.095 0.000 3.339 218 T HA 0.329 4.679 4.350 0.000 0.000 0.292 218 T C 0.285 174.958 174.700 -0.045 0.000 1.012 218 T CA -0.494 61.565 62.100 -0.067 0.000 0.937 218 T CB -0.247 68.591 68.868 -0.050 0.000 1.164 218 T HN 0.585 nan 8.240 nan 0.000 0.509 219 R N 1.652 122.124 120.500 -0.047 0.000 3.710 219 R HA 0.296 4.636 4.340 0.000 0.000 0.201 219 R C 0.538 176.822 176.300 -0.026 0.000 1.641 219 R CA -0.036 56.045 56.100 -0.031 0.000 1.390 219 R CB -0.617 29.665 30.300 -0.030 0.000 1.341 219 R HN 0.524 nan 8.270 nan 0.000 0.728 220 N N 0.142 118.830 118.700 -0.020 0.000 2.354 220 N HA -0.111 4.629 4.740 0.000 0.000 0.179 220 N C 0.431 175.939 175.510 -0.003 0.000 1.021 220 N CA 0.566 53.609 53.050 -0.012 0.000 0.887 220 N CB 0.281 38.765 38.487 -0.004 0.000 0.974 220 N HN 0.386 nan 8.380 nan 0.000 0.437 221 D N 1.091 121.490 120.400 -0.002 0.000 2.269 221 D HA -0.058 4.582 4.640 0.000 0.000 0.208 221 D C 0.014 176.316 176.300 0.005 0.000 0.963 221 D CA 1.094 55.096 54.000 0.003 0.000 0.864 221 D CB 0.059 40.860 40.800 0.002 0.000 0.936 221 D HN 0.436 nan 8.370 nan 0.000 0.505 222 E N 0.130 120.331 120.200 0.001 0.000 3.386 222 E HA 0.154 4.504 4.350 0.000 0.000 0.236 222 E C -2.060 174.541 176.600 0.001 0.000 1.227 222 E CA -1.362 55.040 56.400 0.004 0.000 0.970 222 E CB 1.848 31.550 29.700 0.002 0.000 1.343 222 E HN -0.051 nan 8.360 nan 0.000 0.397 223 P HA -0.203 nan 4.420 nan 0.000 0.215 223 P C 0.914 178.212 177.300 -0.004 0.000 1.153 223 P CA 1.229 64.325 63.100 -0.007 0.000 0.853 223 P CB 0.316 32.018 31.700 0.004 0.000 0.788 224 E N -0.557 119.651 120.200 0.013 0.000 2.268 224 E HA -0.104 4.246 4.350 0.000 0.000 0.195 224 E C 1.847 178.456 176.600 0.015 0.000 0.995 224 E CA 0.607 57.018 56.400 0.018 0.000 0.836 224 E CB -0.269 29.449 29.700 0.029 0.000 0.763 224 E HN 0.344 nan 8.360 nan 0.000 0.491 225 R N 0.206 120.712 120.500 0.009 0.000 2.297 225 R HA 0.167 4.508 4.340 0.000 0.000 0.197 225 R C 2.103 178.404 176.300 0.000 0.000 0.943 225 R CA 0.475 56.580 56.100 0.009 0.000 1.038 225 R CB 0.143 30.447 30.300 0.007 0.000 0.957 225 R HN 0.045 nan 8.270 nan 0.000 0.484 226 A N 1.082 123.896 122.820 -0.011 0.000 1.877 226 A HA -0.077 4.243 4.320 0.000 0.000 0.216 226 A C 1.397 178.965 177.584 -0.027 0.000 1.186 226 A CA 1.048 53.070 52.037 -0.026 0.000 0.620 226 A CB -0.103 18.872 19.000 -0.043 0.000 0.822 226 A HN 0.189 nan 8.150 nan 0.000 0.443 227 S N 0.229 115.916 115.700 -0.021 0.000 2.416 227 S HA 0.469 4.939 4.470 0.000 0.000 0.287 227 S C -0.074 174.520 174.600 -0.010 0.000 1.139 227 S CA -0.643 57.543 58.200 -0.022 0.000 1.058 227 S CB -0.158 63.029 63.200 -0.022 0.000 0.967 227 S HN 0.386 nan 8.310 nan 0.000 0.495 228 R N 4.612 125.105 120.500 -0.012 0.000 2.681 228 R HA 0.281 4.621 4.340 0.000 0.000 0.277 228 R C -2.873 173.431 176.300 0.007 0.000 1.563 228 R CA -1.738 54.375 56.100 0.021 0.000 1.673 228 R CB 0.885 31.202 30.300 0.027 0.000 1.258 228 R HN 0.435 nan 8.270 nan 0.000 0.650 229 P HA -0.036 nan 4.420 nan 0.000 0.263 229 P C -0.105 177.162 177.300 -0.056 0.000 1.195 229 P CA 0.337 63.281 63.100 -0.260 0.000 0.762 229 P CB 0.190 31.661 31.700 -0.382 0.000 0.799 230 F N -0.921 119.107 119.950 0.130 0.000 2.656 230 F HA -0.240 4.287 4.527 0.000 0.000 0.381 230 F C 0.730 176.693 175.800 0.273 0.000 0.603 230 F CA 1.045 59.164 58.000 0.198 0.000 1.335 230 F CB -2.403 36.707 39.000 0.183 0.000 1.836 230 F HN 0.272 nan 8.300 nan 0.000 0.290 231 D N 0.635 121.220 120.400 0.307 0.000 2.313 231 D HA 0.216 4.856 4.640 0.000 0.000 0.247 231 D C 1.220 177.553 176.300 0.055 0.000 1.094 231 D CA -0.205 53.860 54.000 0.109 0.000 0.925 231 D CB 0.849 41.686 40.800 0.062 0.000 1.188 231 D HN 0.036 nan 8.370 nan 0.000 0.430 232 K N 1.332 121.727 120.400 -0.008 0.000 2.211 232 K HA -0.083 4.237 4.320 0.000 0.000 0.203 232 K C -0.064 176.538 176.600 0.003 0.000 1.050 232 K CA 0.891 57.181 56.287 0.005 0.000 0.945 232 K CB 0.156 32.645 32.500 -0.018 0.000 0.732 232 K HN 0.533 nan 8.250 nan 0.000 0.451 233 D N 1.514 121.909 120.400 -0.009 0.000 2.370 233 D HA -0.025 4.615 4.640 0.000 0.000 0.230 233 D C 0.188 176.486 176.300 -0.004 0.000 1.143 233 D CA 0.027 54.022 54.000 -0.008 0.000 0.834 233 D CB -0.018 40.773 40.800 -0.015 0.000 0.944 233 D HN 0.296 nan 8.370 nan 0.000 0.504 234 R N 1.480 121.982 120.500 0.005 0.000 2.590 234 R HA 0.089 4.429 4.340 0.000 0.000 0.274 234 R C -0.038 176.258 176.300 -0.007 0.000 1.061 234 R CA 0.156 56.255 56.100 -0.002 0.000 1.081 234 R CB 0.496 30.795 30.300 -0.002 0.000 0.984 234 R HN -0.168 nan 8.270 nan 0.000 0.448 235 D N 1.384 121.773 120.400 -0.019 0.000 2.650 235 D HA 0.222 4.862 4.640 0.000 0.000 0.265 235 D C 0.320 176.596 176.300 -0.039 0.000 1.339 235 D CA 0.045 54.030 54.000 -0.025 0.000 0.816 235 D CB 0.451 41.232 40.800 -0.031 0.000 1.091 235 D HN 0.897 nan 8.370 nan 0.000 0.483 236 G N 0.529 109.316 108.800 -0.023 0.000 2.462 236 G HA2 0.116 4.076 3.960 0.000 0.000 0.685 236 G HA3 0.116 4.076 3.960 0.000 0.000 0.685 236 G C -0.545 174.340 174.900 -0.023 0.000 1.295 236 G CA -0.645 44.447 45.100 -0.013 0.000 0.941 236 G HN 0.351 nan 8.290 nan 0.000 0.554 237 F N -0.629 119.269 119.950 -0.087 0.000 2.370 237 F HA 0.836 5.363 4.527 0.000 0.000 0.319 237 F C 0.219 175.910 175.800 -0.181 0.000 1.129 237 F CA -1.256 56.671 58.000 -0.121 0.000 1.109 237 F CB 1.334 40.290 39.000 -0.074 0.000 1.262 237 F HN 0.470 nan 8.300 nan 0.000 0.534 238 V N 2.657 122.591 119.914 0.033 0.000 2.540 238 V HA 0.272 4.392 4.120 0.000 0.000 0.302 238 V C -0.636 175.553 176.094 0.158 0.000 1.035 238 V CA -0.796 61.462 62.300 -0.071 0.000 0.873 238 V CB 1.350 33.148 31.823 -0.042 0.000 0.992 238 V HN 0.634 nan 8.190 nan 0.000 0.428 239 F N 2.792 122.785 119.950 0.071 0.000 2.543 239 F HA 0.539 5.066 4.527 0.000 0.000 0.375 239 F C 1.073 176.866 175.800 -0.013 0.000 1.075 239 F CA -0.198 57.838 58.000 0.060 0.000 1.225 239 F CB 0.843 39.834 39.000 -0.015 0.000 1.099 239 F HN 0.541 nan 8.300 nan 0.000 0.561 240 G N 4.235 113.175 108.800 0.233 0.000 2.805 240 G HA2 0.344 4.304 3.960 0.000 0.000 0.283 240 G HA3 0.344 4.304 3.960 0.000 0.000 0.283 240 G C -0.883 174.075 174.900 0.096 0.000 1.508 240 G CA -0.699 44.465 45.100 0.107 0.000 1.042 240 G HN 0.545 nan 8.290 nan 0.000 0.543 241 E N 0.524 120.768 120.200 0.074 0.000 2.502 241 E HA 0.384 4.734 4.350 0.000 0.000 0.261 241 E C 0.418 177.078 176.600 0.100 0.000 0.974 241 E CA 0.777 57.226 56.400 0.082 0.000 0.936 241 E CB 1.027 30.800 29.700 0.123 0.000 0.926 241 E HN 0.720 nan 8.360 nan 0.000 0.459 242 A N 1.936 124.814 122.820 0.096 0.000 2.566 242 A HA 0.778 5.098 4.320 0.000 0.000 0.290 242 A C -0.838 176.802 177.584 0.094 0.000 1.071 242 A CA -0.131 51.962 52.037 0.094 0.000 0.658 242 A CB 2.078 21.124 19.000 0.076 0.000 1.285 242 A HN 0.603 nan 8.150 nan 0.000 0.427 243 G N -1.035 107.813 108.800 0.081 0.000 2.759 243 G HA2 0.870 4.830 3.960 0.000 0.000 0.297 243 G HA3 0.870 4.830 3.960 0.000 0.000 0.297 243 G C -0.918 174.013 174.900 0.051 0.000 1.434 243 G CA 0.403 45.543 45.100 0.066 0.000 0.980 243 G HN 2.117 nan 8.290 nan 0.000 0.531 244 A N 1.264 124.110 122.820 0.043 0.000 2.488 244 A HA 0.869 5.189 4.320 0.000 0.000 0.298 244 A C -1.168 176.439 177.584 0.038 0.000 1.044 244 A CA -0.522 51.536 52.037 0.036 0.000 0.693 244 A CB 1.326 20.342 19.000 0.027 0.000 1.272 244 A HN 0.834 nan 8.150 nan 0.000 0.402 245 L N 1.999 123.247 121.223 0.041 0.000 2.354 245 L HA 0.836 5.176 4.340 0.000 0.000 0.264 245 L C -0.182 176.720 176.870 0.053 0.000 1.008 245 L CA -0.741 54.132 54.840 0.055 0.000 0.819 245 L CB 2.276 44.377 42.059 0.070 0.000 1.339 245 L HN 0.963 nan 8.230 nan 0.000 0.420 246 M N 1.361 121.003 119.600 0.070 0.000 2.572 246 M HA 0.638 5.118 4.480 0.000 0.000 0.299 246 M C -1.700 174.657 176.300 0.095 0.000 1.205 246 M CA -0.828 54.510 55.300 0.063 0.000 0.876 246 M CB 2.508 35.140 32.600 0.053 0.000 1.728 246 M HN 0.325 nan 8.290 nan 0.000 0.458 247 L N 4.044 125.315 121.223 0.079 0.000 2.289 247 L HA 0.757 5.097 4.340 0.000 0.000 0.285 247 L C -0.957 175.954 176.870 0.068 0.000 1.049 247 L CA -0.530 54.366 54.840 0.093 0.000 0.804 247 L CB 1.260 43.350 42.059 0.052 0.000 1.195 247 L HN 0.830 nan 8.230 nan 0.000 0.428 248 I N 2.094 122.715 120.570 0.085 0.000 2.785 248 I HA 0.859 5.029 4.170 0.000 0.000 0.302 248 I C -1.205 174.928 176.117 0.026 0.000 1.069 248 I CA -0.426 60.917 61.300 0.071 0.000 1.045 248 I CB 2.276 40.346 38.000 0.116 0.000 1.236 248 I HN 0.800 nan 8.210 nan 0.000 0.429 249 E N 2.065 122.268 120.200 0.005 0.000 2.416 249 E HA 0.304 4.654 4.350 0.000 0.000 0.280 249 E C -1.189 175.416 176.600 0.008 0.000 1.055 249 E CA -0.993 55.369 56.400 -0.063 0.000 0.825 249 E CB 1.391 30.989 29.700 -0.171 0.000 1.312 249 E HN 0.762 nan 8.360 nan 0.000 0.452 250 T N -1.576 112.989 114.554 0.017 0.000 2.932 250 T HA 0.013 4.363 4.350 0.000 0.000 0.312 250 T C 1.009 175.767 174.700 0.097 0.000 1.071 250 T CA 0.284 62.427 62.100 0.071 0.000 1.128 250 T CB 1.351 70.266 68.868 0.078 0.000 0.984 250 T HN 0.724 nan 8.240 nan 0.000 0.549 251 E N 0.895 121.155 120.200 0.099 0.000 2.049 251 E HA -0.266 4.084 4.350 0.000 0.000 0.198 251 E C 2.009 178.663 176.600 0.090 0.000 1.007 251 E CA 1.762 58.220 56.400 0.096 0.000 0.809 251 E CB -0.136 29.647 29.700 0.138 0.000 0.749 251 E HN 0.935 nan 8.360 nan 0.000 0.450 252 E N -0.256 119.999 120.200 0.092 0.000 2.086 252 E HA -0.323 4.028 4.350 0.000 0.000 0.205 252 E C 2.186 178.829 176.600 0.072 0.000 1.027 252 E CA 1.771 58.215 56.400 0.074 0.000 0.830 252 E CB -0.256 29.486 29.700 0.070 0.000 0.751 252 E HN 0.399 nan 8.360 nan 0.000 0.456 253 H N -0.424 118.649 119.070 0.006 0.000 2.319 253 H HA -0.120 4.436 4.556 0.000 0.000 0.299 253 H C 1.862 177.172 175.328 -0.030 0.000 1.092 253 H CA 1.856 57.898 56.048 -0.009 0.000 1.302 253 H CB -0.121 29.638 29.762 -0.005 0.000 1.373 253 H HN 0.307 nan 8.280 nan 0.000 0.497 254 A N 1.300 124.202 122.820 0.137 0.000 1.930 254 A HA -0.107 4.213 4.320 0.000 0.000 0.217 254 A C 2.477 180.049 177.584 -0.020 0.000 1.175 254 A CA 1.073 53.137 52.037 0.044 0.000 0.627 254 A CB -0.319 18.677 19.000 -0.007 0.000 0.815 254 A HN 0.232 nan 8.150 nan 0.000 0.443 255 K N 0.033 120.430 120.400 -0.005 0.000 1.978 255 K HA -0.120 4.200 4.320 0.000 0.000 0.214 255 K C 2.143 178.720 176.600 -0.038 0.000 1.049 255 K CA 1.486 57.768 56.287 -0.008 0.000 0.939 255 K CB -0.595 31.917 32.500 0.020 0.000 0.721 255 K HN 0.365 nan 8.250 nan 0.000 0.441 256 A N 1.770 124.554 122.820 -0.060 0.000 2.194 256 A HA -0.192 4.128 4.320 0.000 0.000 0.220 256 A C 1.728 179.242 177.584 -0.117 0.000 1.162 256 A CA 1.818 53.801 52.037 -0.090 0.000 0.674 256 A CB -0.417 18.511 19.000 -0.120 0.000 0.789 256 A HN 0.564 nan 8.150 nan 0.000 0.470 257 R N -3.010 117.415 120.500 -0.125 0.000 2.509 257 R HA 0.420 4.760 4.340 0.000 0.000 0.297 257 R C 0.974 177.220 176.300 -0.090 0.000 0.951 257 R CA 0.569 56.595 56.100 -0.123 0.000 1.103 257 R CB -0.486 29.714 30.300 -0.167 0.000 1.283 257 R HN 0.705 nan 8.270 nan 0.000 0.534 258 G N 0.740 109.499 108.800 -0.069 0.000 2.143 258 G HA2 -0.325 3.635 3.960 0.000 0.000 0.248 258 G HA3 -0.325 3.635 3.960 0.000 0.000 0.248 258 G C 0.275 175.137 174.900 -0.063 0.000 0.991 258 G CA 0.056 45.123 45.100 -0.055 0.000 0.689 258 G HN 0.668 nan 8.290 nan 0.000 0.522 259 A N -0.127 122.648 122.820 -0.075 0.000 2.451 259 A HA 0.619 4.939 4.320 0.000 0.000 0.266 259 A C 0.625 178.147 177.584 -0.104 0.000 1.119 259 A CA 0.631 52.614 52.037 -0.090 0.000 0.786 259 A CB 0.443 19.387 19.000 -0.092 0.000 1.061 259 A HN 0.845 nan 8.150 nan 0.000 0.503 260 K N 4.227 124.566 120.400 -0.101 0.000 2.349 260 K HA 0.403 4.723 4.320 0.000 0.000 0.289 260 K C -2.744 173.747 176.600 -0.183 0.000 1.064 260 K CA -1.609 54.608 56.287 -0.116 0.000 0.947 260 K CB 0.266 32.731 32.500 -0.058 0.000 1.007 260 K HN 0.356 nan 8.250 nan 0.000 0.478 261 P HA 0.082 nan 4.420 nan 0.000 0.275 261 P C 0.002 177.164 177.300 -0.230 0.000 1.227 261 P CA -0.283 62.578 63.100 -0.398 0.000 0.781 261 P CB 0.723 31.885 31.700 -0.897 0.000 0.906 262 L N 0.654 121.802 121.223 -0.125 0.000 2.375 262 L HA 0.455 4.795 4.340 0.000 0.000 0.215 262 L C 0.961 177.828 176.870 -0.003 0.000 1.108 262 L CA 0.409 55.212 54.840 -0.062 0.000 0.830 262 L CB -0.450 41.556 42.059 -0.088 0.000 0.959 262 L HN 0.394 nan 8.230 nan 0.000 0.457 263 A N 0.041 122.879 122.820 0.030 0.000 2.515 263 A HA 0.657 4.977 4.320 0.000 0.000 0.292 263 A C -1.235 176.463 177.584 0.190 0.000 1.065 263 A CA -0.766 51.350 52.037 0.131 0.000 0.641 263 A CB 1.025 20.080 19.000 0.091 0.000 1.306 263 A HN 0.068 nan 8.150 nan 0.000 0.441 264 R N -0.488 120.170 120.500 0.264 0.000 2.532 264 R HA 0.619 4.959 4.340 0.000 0.000 0.295 264 R C -1.365 175.088 176.300 0.256 0.000 0.968 264 R CA -0.745 55.508 56.100 0.256 0.000 0.916 264 R CB 1.843 32.300 30.300 0.262 0.000 1.124 264 R HN 0.517 nan 8.270 nan 0.000 0.463 265 L N 4.364 125.672 121.223 0.143 0.000 2.276 265 L HA 0.283 4.623 4.340 0.000 0.000 0.286 265 L C -0.214 176.552 176.870 -0.173 0.000 1.024 265 L CA 0.240 54.991 54.840 -0.149 0.000 0.826 265 L CB 0.985 42.991 42.059 -0.088 0.000 1.211 265 L HN 0.752 nan 8.230 nan 0.000 0.422 266 L N 4.369 125.394 121.223 -0.329 0.000 2.515 266 L HA 0.580 4.920 4.340 0.000 0.000 0.223 266 L C 0.923 177.512 176.870 -0.468 0.000 1.079 266 L CA 0.403 55.134 54.840 -0.182 0.000 0.857 266 L CB 0.140 42.160 42.059 -0.064 0.000 1.050 266 L HN 0.780 nan 8.230 nan 0.000 0.476 267 G N -0.480 107.715 108.800 -1.009 0.000 2.368 267 G HA2 0.639 4.599 3.960 0.000 0.000 0.293 267 G HA3 0.639 4.599 3.960 0.000 0.000 0.293 267 G C -2.199 171.983 174.900 -1.198 0.000 1.467 267 G CA 0.097 44.370 45.100 -1.378 0.000 0.804 267 G HN 0.021 nan 8.290 nan 0.000 0.535 268 A N -0.993 121.223 122.820 -1.007 0.000 2.517 268 A HA 0.921 5.241 4.320 0.000 0.000 0.297 268 A C -0.174 177.220 177.584 -0.315 0.000 1.050 268 A CA 0.145 51.842 52.037 -0.566 0.000 0.694 268 A CB 1.724 20.429 19.000 -0.490 0.000 1.277 268 A HN 2.161 nan 8.150 nan 0.000 0.400 269 G N 0.673 109.346 108.800 -0.212 0.000 2.513 269 G HA2 0.640 4.600 3.960 0.000 0.000 0.317 269 G HA3 0.640 4.600 3.960 0.000 0.000 0.317 269 G C -0.977 173.874 174.900 -0.082 0.000 1.277 269 G CA -0.504 44.528 45.100 -0.114 0.000 0.955 269 G HN 0.684 nan 8.290 nan 0.000 0.484 270 I N 1.965 122.509 120.570 -0.042 0.000 2.447 270 I HA 0.470 4.640 4.170 0.000 0.000 0.287 270 I C 0.257 176.398 176.117 0.040 0.000 1.023 270 I CA -0.630 60.667 61.300 -0.005 0.000 1.083 270 I CB 2.467 40.456 38.000 -0.018 0.000 1.245 270 I HN 0.680 nan 8.210 nan 0.000 0.434 271 T N 1.454 116.052 114.554 0.073 0.000 2.716 271 T HA 0.807 5.157 4.350 0.000 0.000 0.286 271 T C -0.438 174.332 174.700 0.118 0.000 1.052 271 T CA -0.774 61.377 62.100 0.085 0.000 1.024 271 T CB 1.991 70.902 68.868 0.072 0.000 1.349 271 T HN 0.549 nan 8.240 nan 0.000 0.525 272 S N -0.720 115.037 115.700 0.096 0.000 2.564 272 S HA 0.548 5.018 4.470 0.000 0.000 0.274 272 S C -0.503 174.135 174.600 0.063 0.000 1.124 272 S CA -0.775 57.477 58.200 0.087 0.000 0.869 272 S CB 1.914 65.166 63.200 0.087 0.000 1.105 272 S HN 0.616 nan 8.310 nan 0.000 0.472 273 D N 1.294 121.726 120.400 0.055 0.000 2.240 273 D HA 0.267 4.907 4.640 0.000 0.000 0.206 273 D C 1.256 177.613 176.300 0.094 0.000 0.963 273 D CA 1.338 55.383 54.000 0.075 0.000 0.863 273 D CB -0.442 40.427 40.800 0.116 0.000 0.973 273 D HN 1.121 nan 8.370 nan 0.000 0.501 274 A N -0.007 122.854 122.820 0.069 0.000 2.364 274 A HA -0.247 4.073 4.320 0.000 0.000 0.288 274 A C 0.619 178.289 177.584 0.144 0.000 1.433 274 A CA 0.926 53.002 52.037 0.066 0.000 0.757 274 A CB -1.965 17.064 19.000 0.049 0.000 1.098 274 A HN 0.380 nan 8.150 nan 0.000 0.380 275 F N -0.423 119.519 119.950 -0.013 0.000 2.268 275 F HA 0.409 4.936 4.527 0.000 0.000 0.262 275 F C 0.636 176.464 175.800 0.047 0.000 0.910 275 F CA 1.170 59.178 58.000 0.013 0.000 1.142 275 F CB 0.470 39.480 39.000 0.017 0.000 1.229 275 F HN 0.604 nan 8.300 nan 0.000 0.781 276 H N 0.587 119.327 119.070 -0.549 0.000 3.046 276 H HA 0.331 4.887 4.556 0.000 0.000 0.361 276 H C 0.535 175.675 175.328 -0.313 0.000 1.235 276 H CA -0.428 55.240 56.048 -0.634 0.000 1.146 276 H CB 1.969 31.138 29.762 -0.989 0.000 1.859 276 H HN 0.055 nan 8.280 nan 0.000 0.548 277 M N 2.562 121.945 119.600 -0.362 0.000 2.229 277 M HA -0.075 4.405 4.480 0.000 0.000 0.264 277 M C 1.558 177.770 176.300 -0.146 0.000 1.063 277 M CA 1.381 56.554 55.300 -0.212 0.000 1.114 277 M CB -0.295 32.137 32.600 -0.280 0.000 1.387 277 M HN 0.484 nan 8.290 nan 0.000 0.420 278 V N -4.263 115.620 119.914 -0.052 0.000 3.337 278 V HA 0.620 4.740 4.120 0.000 0.000 0.307 278 V C 0.285 176.236 176.094 -0.238 0.000 1.505 278 V CA -0.216 61.790 62.300 -0.490 0.000 1.072 278 V CB -0.413 30.915 31.823 -0.824 0.000 0.929 278 V HN 0.119 nan 8.190 nan 0.000 0.455 279 A N 2.089 124.859 122.820 -0.082 0.000 2.355 279 A HA 0.963 5.283 4.320 0.000 0.000 0.317 279 A C -2.967 174.710 177.584 0.156 0.000 1.094 279 A CA -1.869 50.138 52.037 -0.051 0.000 0.764 279 A CB 1.347 20.188 19.000 -0.266 0.000 1.230 279 A HN 0.234 nan 8.150 nan 0.000 0.448 280 P HA 0.356 nan 4.420 nan 0.000 0.274 280 P C -0.024 177.389 177.300 0.189 0.000 1.231 280 P CA -0.048 63.133 63.100 0.136 0.000 0.790 280 P CB 0.940 32.621 31.700 -0.032 0.000 0.951 281 A N 2.388 125.257 122.820 0.082 0.000 2.548 281 A HA 0.284 4.604 4.320 0.000 0.000 0.247 281 A C 1.750 179.176 177.584 -0.263 0.000 1.067 281 A CA 0.407 52.255 52.037 -0.315 0.000 0.757 281 A CB -0.593 18.250 19.000 -0.261 0.000 0.996 281 A HN 0.618 nan 8.150 nan 0.000 0.504 282 A N 2.532 125.150 122.820 -0.336 0.000 1.978 282 A HA -0.191 4.130 4.320 0.000 0.000 0.220 282 A C 1.632 179.126 177.584 -0.150 0.000 1.170 282 A CA 2.100 54.024 52.037 -0.188 0.000 0.636 282 A CB -0.476 18.420 19.000 -0.173 0.000 0.810 282 A HN 0.951 nan 8.150 nan 0.000 0.448 283 D N -1.711 118.581 120.400 -0.180 0.000 2.317 283 D HA 0.176 4.816 4.640 0.000 0.000 0.211 283 D C 1.288 177.530 176.300 -0.098 0.000 0.966 283 D CA 1.012 54.938 54.000 -0.124 0.000 0.876 283 D CB -0.964 39.762 40.800 -0.124 0.000 0.927 283 D HN 0.838 nan 8.370 nan 0.000 0.519 284 G N 0.042 108.772 108.800 -0.117 0.000 2.203 284 G HA2 -0.321 3.639 3.960 0.000 0.000 0.263 284 G HA3 -0.321 3.639 3.960 0.000 0.000 0.263 284 G C 1.038 175.900 174.900 -0.063 0.000 1.012 284 G CA 0.631 45.668 45.100 -0.105 0.000 0.749 284 G HN 0.364 nan 8.290 nan 0.000 0.512 285 V N 0.137 120.015 119.914 -0.060 0.000 2.283 285 V HA -0.110 4.010 4.120 0.000 0.000 0.243 285 V C 2.914 179.002 176.094 -0.010 0.000 1.039 285 V CA 2.301 64.582 62.300 -0.032 0.000 1.016 285 V CB -0.363 31.438 31.823 -0.037 0.000 0.650 285 V HN 0.434 nan 8.190 nan 0.000 0.449 286 R N 0.530 121.025 120.500 -0.008 0.000 2.092 286 R HA 0.007 4.347 4.340 0.000 0.000 0.231 286 R C 2.336 178.666 176.300 0.050 0.000 1.119 286 R CA 1.477 57.590 56.100 0.021 0.000 0.970 286 R CB -1.415 28.902 30.300 0.029 0.000 0.864 286 R HN 0.522 nan 8.270 nan 0.000 0.440 287 A N 0.773 123.615 122.820 0.038 0.000 1.865 287 A HA -0.093 4.227 4.320 0.000 0.000 0.217 287 A C 2.464 180.130 177.584 0.135 0.000 1.191 287 A CA 1.986 54.094 52.037 0.119 0.000 0.623 287 A CB -1.318 17.640 19.000 -0.070 0.000 0.826 287 A HN 0.402 nan 8.150 nan 0.000 0.444 288 G N -0.521 108.317 108.800 0.063 0.000 2.469 288 G HA2 -0.315 3.645 3.960 0.000 0.000 0.220 288 G HA3 -0.315 3.645 3.960 0.000 0.000 0.220 288 G C 1.687 176.612 174.900 0.041 0.000 1.136 288 G CA 1.477 46.608 45.100 0.052 0.000 0.759 288 G HN 0.564 nan 8.290 nan 0.000 0.562 289 R N 1.095 121.616 120.500 0.036 0.000 2.115 289 R HA 0.204 4.545 4.340 0.000 0.000 0.230 289 R C 2.670 178.986 176.300 0.026 0.000 1.111 289 R CA 1.624 57.740 56.100 0.026 0.000 0.976 289 R CB -0.728 29.586 30.300 0.023 0.000 0.870 289 R HN 0.225 nan 8.270 nan 0.000 0.445 290 A N 0.606 123.454 122.820 0.047 0.000 1.902 290 A HA -0.172 4.148 4.320 0.000 0.000 0.217 290 A C 2.216 179.796 177.584 -0.007 0.000 1.181 290 A CA 1.832 53.886 52.037 0.028 0.000 0.623 290 A CB -0.509 18.529 19.000 0.063 0.000 0.818 290 A HN 0.421 nan 8.150 nan 0.000 0.443 291 M N -0.778 118.830 119.600 0.013 0.000 2.080 291 M HA -0.149 4.331 4.480 0.000 0.000 0.260 291 M C 2.212 178.493 176.300 -0.031 0.000 1.068 291 M CA 2.108 57.400 55.300 -0.013 0.000 1.109 291 M CB -0.902 31.707 32.600 0.015 0.000 1.342 291 M HN 0.429 nan 8.290 nan 0.000 0.405 292 T N -0.407 114.139 114.554 -0.015 0.000 2.788 292 T HA -0.141 4.209 4.350 0.000 0.000 0.268 292 T C 1.783 176.466 174.700 -0.027 0.000 1.044 292 T CA 1.347 63.436 62.100 -0.019 0.000 1.139 292 T CB -0.289 68.575 68.868 -0.006 0.000 0.867 292 T HN 0.237 nan 8.240 nan 0.000 0.454 293 R N 1.909 122.393 120.500 -0.027 0.000 2.092 293 R HA -0.063 4.277 4.340 0.000 0.000 0.231 293 R C 2.602 178.859 176.300 -0.072 0.000 1.119 293 R CA 1.955 58.038 56.100 -0.029 0.000 0.970 293 R CB -0.745 29.543 30.300 -0.019 0.000 0.864 293 R HN 0.468 nan 8.270 nan 0.000 0.440 294 S N 0.013 115.642 115.700 -0.119 0.000 2.382 294 S HA -0.117 4.353 4.470 0.000 0.000 0.228 294 S C 2.042 176.537 174.600 -0.176 0.000 1.027 294 S CA 1.295 59.369 58.200 -0.209 0.000 0.991 294 S CB -0.566 62.489 63.200 -0.241 0.000 0.823 294 S HN 0.358 nan 8.310 nan 0.000 0.469 295 L N 1.249 122.403 121.223 -0.114 0.000 1.994 295 L HA -0.089 4.251 4.340 0.000 0.000 0.208 295 L C 2.994 179.826 176.870 -0.063 0.000 1.071 295 L CA 1.806 56.589 54.840 -0.096 0.000 0.745 295 L CB -0.837 41.179 42.059 -0.073 0.000 0.892 295 L HN 0.376 nan 8.230 nan 0.000 0.431 296 E N 0.515 120.696 120.200 -0.032 0.000 2.048 296 E HA -0.274 4.076 4.350 0.000 0.000 0.202 296 E C 2.274 178.907 176.600 0.056 0.000 1.021 296 E CA 1.549 57.954 56.400 0.009 0.000 0.825 296 E CB -0.356 29.359 29.700 0.025 0.000 0.756 296 E HN 0.409 nan 8.360 nan 0.000 0.454 297 L N 0.349 121.615 121.223 0.072 0.000 2.191 297 L HA -0.161 4.179 4.340 0.000 0.000 0.212 297 L C 2.438 179.431 176.870 0.204 0.000 1.103 297 L CA 0.886 55.858 54.840 0.221 0.000 0.769 297 L CB -0.320 41.817 42.059 0.130 0.000 0.908 297 L HN 0.155 nan 8.230 nan 0.000 0.438 298 A N -0.499 122.327 122.820 0.010 0.000 1.970 298 A HA 0.208 4.528 4.320 0.000 0.000 0.216 298 A C 1.795 179.391 177.584 0.019 0.000 1.170 298 A CA 1.033 53.065 52.037 -0.009 0.000 0.645 298 A CB -0.432 18.491 19.000 -0.128 0.000 0.816 298 A HN 0.496 nan 8.150 nan 0.000 0.447 299 G N -1.492 107.307 108.800 -0.003 0.000 2.140 299 G HA2 -0.143 3.817 3.960 0.000 0.000 0.211 299 G HA3 -0.143 3.817 3.960 0.000 0.000 0.211 299 G C -0.119 174.727 174.900 -0.089 0.000 1.013 299 G CA 0.219 45.305 45.100 -0.023 0.000 0.705 299 G HN 0.468 nan 8.290 nan 0.000 0.508 300 L N 0.475 121.621 121.223 -0.129 0.000 2.313 300 L HA 0.839 5.179 4.340 0.000 0.000 0.268 300 L C 0.989 177.793 176.870 -0.110 0.000 1.010 300 L CA -0.561 54.167 54.840 -0.187 0.000 0.814 300 L CB 1.894 43.768 42.059 -0.309 0.000 1.304 300 L HN 0.372 nan 8.230 nan 0.000 0.441 301 S N -0.390 115.253 115.700 -0.096 0.000 2.690 301 S HA 0.473 4.944 4.470 0.000 0.000 0.291 301 S C -2.121 172.454 174.600 -0.043 0.000 1.138 301 S CA -1.293 56.876 58.200 -0.051 0.000 1.013 301 S CB 1.727 64.909 63.200 -0.030 0.000 1.053 301 S HN 0.367 nan 8.310 nan 0.000 0.539 302 P HA -0.035 nan 4.420 nan 0.000 0.217 302 P C 1.375 178.680 177.300 0.007 0.000 1.148 302 P CA 1.836 64.930 63.100 -0.009 0.000 0.828 302 P CB -0.204 31.493 31.700 -0.004 0.000 0.783 303 A N -0.335 122.491 122.820 0.010 0.000 2.015 303 A HA -0.166 4.154 4.320 0.000 0.000 0.219 303 A C 1.788 179.404 177.584 0.053 0.000 1.163 303 A CA 1.558 53.613 52.037 0.029 0.000 0.646 303 A CB -1.085 17.930 19.000 0.025 0.000 0.806 303 A HN 0.091 nan 8.150 nan 0.000 0.448 304 D N -0.058 120.366 120.400 0.040 0.000 2.310 304 D HA -0.020 4.621 4.640 0.000 0.000 0.212 304 D C 0.315 176.721 176.300 0.175 0.000 0.965 304 D CA 0.478 54.532 54.000 0.090 0.000 0.879 304 D CB -0.082 40.680 40.800 -0.063 0.000 0.921 304 D HN 0.237 nan 8.370 nan 0.000 0.510 305 I N 2.300 122.936 120.570 0.110 0.000 2.347 305 I HA -0.004 4.166 4.170 0.000 0.000 0.294 305 I C 0.965 177.165 176.117 0.138 0.000 1.090 305 I CA -0.098 61.281 61.300 0.131 0.000 1.314 305 I CB 0.808 38.844 38.000 0.061 0.000 1.423 305 I HN -0.181 nan 8.210 nan 0.000 0.503 306 D N 3.716 124.232 120.400 0.192 0.000 2.271 306 D HA -0.042 4.598 4.640 0.000 0.000 0.206 306 D C 0.550 176.939 176.300 0.149 0.000 0.967 306 D CA 1.093 55.214 54.000 0.202 0.000 0.867 306 D CB 0.367 41.354 40.800 0.312 0.000 0.960 306 D HN 0.563 nan 8.370 nan 0.000 0.509 307 H N -0.327 118.734 119.070 -0.015 0.000 2.865 307 H HA 0.432 4.988 4.556 0.000 0.000 0.362 307 H C -1.723 173.591 175.328 -0.023 0.000 1.114 307 H CA -0.672 55.312 56.048 -0.107 0.000 1.208 307 H CB 1.466 31.060 29.762 -0.280 0.000 1.727 307 H HN -0.362 nan 8.280 nan 0.000 0.534 308 V N 5.461 125.129 119.914 -0.410 0.000 2.378 308 V HA 0.231 4.351 4.120 0.000 0.000 0.288 308 V C 0.100 175.869 176.094 -0.542 0.000 1.016 308 V CA -1.023 61.034 62.300 -0.404 0.000 0.840 308 V CB 1.283 33.022 31.823 -0.139 0.000 0.994 308 V HN 0.810 nan 8.190 nan 0.000 0.431 309 N N 4.075 122.478 118.700 -0.494 0.000 2.439 309 N HA 0.325 5.065 4.740 0.000 0.000 0.243 309 N C 0.022 175.488 175.510 -0.072 0.000 1.088 309 N CA -0.095 52.844 53.050 -0.185 0.000 0.940 309 N CB 1.520 39.964 38.487 -0.072 0.000 1.180 309 N HN 0.834 nan 8.380 nan 0.000 0.505 310 A N 2.920 125.743 122.820 0.006 0.000 2.388 310 A HA 0.082 4.402 4.320 0.000 0.000 0.257 310 A C 1.186 178.803 177.584 0.054 0.000 1.095 310 A CA -0.261 51.849 52.037 0.121 0.000 0.791 310 A CB 0.265 19.475 19.000 0.351 0.000 1.029 310 A HN 0.897 nan 8.150 nan 0.000 0.489 311 H N 2.550 121.623 119.070 0.006 0.000 2.387 311 H HA 0.027 4.583 4.556 0.000 0.000 0.299 311 H C 1.553 176.813 175.328 -0.113 0.000 1.099 311 H CA 1.731 57.735 56.048 -0.073 0.000 1.315 311 H CB -0.306 29.448 29.762 -0.012 0.000 1.380 311 H HN 1.151 nan 8.280 nan 0.000 0.513 312 G N 0.668 109.429 108.800 -0.064 0.000 2.101 312 G HA2 -0.331 3.629 3.960 0.000 0.000 0.247 312 G HA3 -0.331 3.629 3.960 0.000 0.000 0.247 312 G C 1.117 175.760 174.900 -0.428 0.000 0.740 312 G CA 0.894 45.764 45.100 -0.384 0.000 1.130 312 G HN 0.757 nan 8.290 nan 0.000 0.342 313 T N -1.551 112.809 114.554 -0.323 0.000 2.985 313 T HA 0.360 4.710 4.350 0.000 0.000 0.266 313 T C 1.927 176.558 174.700 -0.115 0.000 1.076 313 T CA 1.582 63.533 62.100 -0.249 0.000 1.135 313 T CB -0.001 68.825 68.868 -0.069 0.000 0.890 313 T HN 2.377 nan 8.240 nan 0.000 0.480 314 A N 0.727 123.448 122.820 -0.165 0.000 3.300 314 A HA -0.093 4.227 4.320 0.000 0.000 0.234 314 A C 0.728 178.300 177.584 -0.019 0.000 1.310 314 A CA 0.751 52.723 52.037 -0.107 0.000 1.123 314 A CB -2.893 16.064 19.000 -0.071 0.000 1.143 314 A HN 1.260 nan 8.150 nan 0.000 0.853 315 T N -2.453 112.115 114.554 0.023 0.000 2.897 315 T HA 0.542 4.892 4.350 0.000 0.000 0.294 315 T C -1.060 173.659 174.700 0.031 0.000 1.004 315 T CA -1.048 61.089 62.100 0.062 0.000 1.106 315 T CB 1.255 70.202 68.868 0.132 0.000 0.949 315 T HN 0.052 nan 8.240 nan 0.000 0.520 316 P HA -0.135 nan 4.420 nan 0.000 0.213 316 P C 1.807 179.131 177.300 0.039 0.000 1.170 316 P CA 1.182 64.301 63.100 0.032 0.000 0.902 316 P CB -0.182 31.534 31.700 0.025 0.000 0.789 317 I N -3.636 116.958 120.570 0.040 0.000 2.315 317 I HA -0.023 4.147 4.170 0.000 0.000 0.248 317 I C 2.256 178.398 176.117 0.043 0.000 1.117 317 I CA 1.965 63.287 61.300 0.037 0.000 1.404 317 I CB -1.652 36.368 38.000 0.033 0.000 1.071 317 I HN -0.140 nan 8.210 nan 0.000 0.419 318 G N 1.280 110.116 108.800 0.060 0.000 2.433 318 G HA2 -0.228 3.733 3.960 0.000 0.000 0.216 318 G HA3 -0.228 3.733 3.960 0.000 0.000 0.216 318 G C 1.170 176.099 174.900 0.047 0.000 1.186 318 G CA 1.185 46.324 45.100 0.065 0.000 0.779 318 G HN 0.372 nan 8.290 nan 0.000 0.543 319 D N 0.964 121.378 120.400 0.023 0.000 2.117 319 D HA -0.015 4.625 4.640 0.000 0.000 0.197 319 D C 2.801 179.236 176.300 0.224 0.000 0.987 319 D CA 1.218 55.248 54.000 0.050 0.000 0.829 319 D CB -0.480 40.259 40.800 -0.101 0.000 0.961 319 D HN 0.296 nan 8.370 nan 0.000 0.460 320 A N 1.005 123.904 122.820 0.132 0.000 1.877 320 A HA -0.079 4.241 4.320 0.000 0.000 0.216 320 A C 2.321 179.942 177.584 0.060 0.000 1.186 320 A CA 2.423 54.523 52.037 0.104 0.000 0.620 320 A CB -0.905 18.131 19.000 0.060 0.000 0.822 320 A HN 0.238 nan 8.150 nan 0.000 0.443 321 A N -0.465 122.364 122.820 0.015 0.000 1.908 321 A HA -0.216 4.104 4.320 0.000 0.000 0.218 321 A C 2.051 179.600 177.584 -0.059 0.000 1.181 321 A CA 1.921 53.927 52.037 -0.052 0.000 0.627 321 A CB -0.596 18.340 19.000 -0.107 0.000 0.818 321 A HN 0.686 nan 8.150 nan 0.000 0.445 322 E N -0.263 119.931 120.200 -0.010 0.000 2.150 322 E HA -0.088 4.262 4.350 0.000 0.000 0.193 322 E C 2.077 178.752 176.600 0.125 0.000 0.985 322 E CA 0.899 57.339 56.400 0.066 0.000 0.814 322 E CB -0.235 29.623 29.700 0.265 0.000 0.752 322 E HN 0.554 nan 8.360 nan 0.000 0.466 323 A N 1.283 124.187 122.820 0.140 0.000 1.877 323 A HA -0.210 4.110 4.320 0.000 0.000 0.216 323 A C 1.975 179.566 177.584 0.012 0.000 1.186 323 A CA 1.578 53.641 52.037 0.044 0.000 0.620 323 A CB -0.636 18.388 19.000 0.040 0.000 0.822 323 A HN 0.245 nan 8.150 nan 0.000 0.443 324 N N 0.430 119.136 118.700 0.010 0.000 2.149 324 N HA -0.126 4.614 4.740 0.000 0.000 0.188 324 N C 1.822 177.324 175.510 -0.012 0.000 1.019 324 N CA 1.583 54.626 53.050 -0.011 0.000 0.857 324 N CB -0.534 37.936 38.487 -0.027 0.000 0.997 324 N HN 0.477 nan 8.380 nan 0.000 0.426 325 A N 0.831 123.646 122.820 -0.009 0.000 1.898 325 A HA -0.041 4.279 4.320 0.000 0.000 0.216 325 A C 2.314 179.919 177.584 0.034 0.000 1.181 325 A CA 0.819 52.861 52.037 0.008 0.000 0.620 325 A CB -0.572 18.433 19.000 0.009 0.000 0.819 325 A HN 0.238 nan 8.150 nan 0.000 0.442 326 I N -0.945 119.649 120.570 0.039 0.000 2.226 326 I HA -0.273 3.897 4.170 0.000 0.000 0.245 326 I C 2.794 178.912 176.117 0.002 0.000 1.100 326 I CA 1.309 62.623 61.300 0.022 0.000 1.374 326 I CB -0.362 37.639 38.000 0.003 0.000 1.057 326 I HN 0.303 nan 8.210 nan 0.000 0.413 327 R N 0.289 120.786 120.500 -0.005 0.000 2.070 327 R HA -0.134 4.206 4.340 0.000 0.000 0.233 327 R C 2.356 178.653 176.300 -0.004 0.000 1.137 327 R CA 1.446 57.541 56.100 -0.008 0.000 0.945 327 R CB -0.623 29.670 30.300 -0.011 0.000 0.845 327 R HN 0.182 nan 8.270 nan 0.000 0.430 328 V N 1.165 121.077 119.914 -0.004 0.000 2.317 328 V HA -0.290 3.830 4.120 0.000 0.000 0.251 328 V C 2.191 178.286 176.094 0.001 0.000 1.065 328 V CA 2.108 64.406 62.300 -0.003 0.000 1.049 328 V CB -0.665 31.154 31.823 -0.006 0.000 0.651 328 V HN 0.466 nan 8.190 nan 0.000 0.450 329 A N -0.823 122.001 122.820 0.007 0.000 2.235 329 A HA 0.378 4.698 4.320 0.000 0.000 0.208 329 A C 1.908 179.493 177.584 0.001 0.000 1.172 329 A CA 0.971 53.012 52.037 0.006 0.000 0.786 329 A CB -0.684 18.324 19.000 0.013 0.000 0.804 329 A HN 1.336 nan 8.150 nan 0.000 0.479 330 G N -2.516 106.285 108.800 0.000 0.000 2.160 330 G HA2 -0.292 3.668 3.960 0.000 0.000 0.251 330 G HA3 -0.292 3.668 3.960 0.000 0.000 0.251 330 G C 0.496 175.397 174.900 0.002 0.000 1.008 330 G CA 0.358 45.458 45.100 0.000 0.000 0.724 330 G HN 0.660 nan 8.290 nan 0.000 0.514 331 C N 1.052 120.353 119.300 0.001 0.000 3.000 331 C HA 0.258 4.718 4.460 0.000 0.000 0.286 331 C C 1.899 176.885 174.990 -0.005 0.000 1.343 331 C CA 0.097 59.116 59.018 0.001 0.000 1.742 331 C CB -0.305 27.434 27.740 -0.000 0.000 2.200 331 C HN 0.702 nan 8.230 nan 0.000 0.621 332 D N 0.124 120.518 120.400 -0.010 0.000 2.378 332 D HA -0.109 4.531 4.640 0.000 0.000 0.227 332 D C 1.574 177.864 176.300 -0.017 0.000 1.012 332 D CA 0.719 54.705 54.000 -0.023 0.000 0.905 332 D CB -0.126 40.658 40.800 -0.026 0.000 0.895 332 D HN 0.345 nan 8.370 nan 0.000 0.532 333 Q N 0.462 120.262 119.800 0.000 0.000 2.424 333 Q HA 0.235 4.575 4.340 0.000 0.000 0.204 333 Q C 0.785 176.798 176.000 0.023 0.000 0.933 333 Q CA 0.086 55.897 55.803 0.012 0.000 0.929 333 Q CB 0.099 28.851 28.738 0.023 0.000 1.037 333 Q HN 0.414 nan 8.270 nan 0.000 0.511 334 A N 0.976 123.807 122.820 0.018 0.000 2.483 334 A HA 0.440 4.760 4.320 0.000 0.000 0.238 334 A C 0.075 177.670 177.584 0.019 0.000 1.070 334 A CA 0.318 52.373 52.037 0.031 0.000 0.770 334 A CB 0.168 19.178 19.000 0.017 0.000 1.008 334 A HN 0.248 nan 8.150 nan 0.000 0.497 335 A N 1.678 124.524 122.820 0.044 0.000 2.409 335 A HA 0.526 4.846 4.320 0.000 0.000 0.262 335 A C -0.093 177.539 177.584 0.081 0.000 1.113 335 A CA -0.245 51.811 52.037 0.032 0.000 0.790 335 A CB 0.031 19.036 19.000 0.009 0.000 1.046 335 A HN 1.018 nan 8.150 nan 0.000 0.496 336 V N 3.497 123.425 119.914 0.023 0.000 2.435 336 V HA 0.346 4.466 4.120 0.000 0.000 0.290 336 V C -0.749 175.439 176.094 0.157 0.000 1.030 336 V CA -0.419 61.902 62.300 0.035 0.000 0.881 336 V CB 1.246 32.989 31.823 -0.133 0.000 0.983 336 V HN 0.793 nan 8.190 nan 0.000 0.445 337 Y N 3.815 124.183 120.300 0.112 0.000 2.393 337 Y HA 0.750 5.300 4.550 0.000 0.000 0.341 337 Y C -0.017 175.959 175.900 0.127 0.000 0.988 337 Y CA -1.771 56.400 58.100 0.118 0.000 1.078 337 Y CB 1.906 40.484 38.460 0.197 0.000 1.203 337 Y HN 0.627 nan 8.280 nan 0.000 0.453 338 A N 8.527 131.222 122.820 -0.209 0.000 2.664 338 A HA 0.474 4.794 4.320 0.000 0.000 0.338 338 A C -2.377 174.817 177.584 -0.650 0.000 1.280 338 A CA -1.539 50.300 52.037 -0.331 0.000 0.809 338 A CB 0.267 19.225 19.000 -0.070 0.000 1.114 338 A HN 0.614 nan 8.150 nan 0.000 0.479 339 P HA -0.134 nan 4.420 nan 0.000 0.222 339 P C 1.077 178.206 177.300 -0.284 0.000 1.147 339 P CA 1.119 63.796 63.100 -0.705 0.000 0.790 339 P CB 0.178 31.608 31.700 -0.450 0.000 0.780 340 K N 0.264 120.489 120.400 -0.291 0.000 2.360 340 K HA -0.092 4.228 4.320 0.000 0.000 0.201 340 K C 2.110 178.637 176.600 -0.123 0.000 1.046 340 K CA 1.530 57.691 56.287 -0.211 0.000 0.940 340 K CB -0.431 31.883 32.500 -0.309 0.000 0.748 340 K HN 0.269 nan 8.250 nan 0.000 0.465 341 S N 0.082 115.715 115.700 -0.112 0.000 2.419 341 S HA -0.115 4.356 4.470 0.000 0.000 0.233 341 S C 1.933 176.537 174.600 0.006 0.000 1.016 341 S CA 0.997 59.177 58.200 -0.032 0.000 0.974 341 S CB 0.037 63.245 63.200 0.014 0.000 0.786 341 S HN 0.327 nan 8.310 nan 0.000 0.492 342 A N 0.581 123.409 122.820 0.013 0.000 1.997 342 A HA 0.577 4.898 4.320 0.000 0.000 0.198 342 A C 1.899 179.507 177.584 0.039 0.000 1.449 342 A CA -0.019 52.045 52.037 0.046 0.000 0.908 342 A CB -0.163 18.891 19.000 0.090 0.000 0.984 342 A HN 0.401 nan 8.150 nan 0.000 0.487 343 L N -0.491 120.745 121.223 0.022 0.000 2.513 343 L HA 0.352 4.692 4.340 0.000 0.000 0.222 343 L C 1.361 178.246 176.870 0.025 0.000 1.096 343 L CA 0.575 55.434 54.840 0.032 0.000 0.857 343 L CB -0.158 41.920 42.059 0.032 0.000 1.026 343 L HN 0.606 nan 8.230 nan 0.000 0.469 344 G N -0.250 108.552 108.800 0.002 0.000 2.796 344 G HA2 -0.296 3.664 3.960 0.000 0.000 0.226 344 G HA3 -0.296 3.664 3.960 0.000 0.000 0.226 344 G C -0.677 174.243 174.900 0.033 0.000 1.381 344 G CA -0.595 44.526 45.100 0.035 0.000 0.867 344 G HN 0.228 nan 8.290 nan 0.000 0.552 345 H N 0.777 119.854 119.070 0.012 0.000 2.594 345 H HA 0.576 5.132 4.556 0.000 0.000 0.304 345 H C 1.379 176.720 175.328 0.022 0.000 1.068 345 H CA 0.021 56.024 56.048 -0.075 0.000 1.308 345 H CB 0.874 30.484 29.762 -0.254 0.000 1.409 345 H HN 0.791 nan 8.280 nan 0.000 0.460 346 S N 5.359 121.220 115.700 0.268 0.000 2.574 346 S HA 0.170 4.640 4.470 0.000 0.000 0.242 346 S C 1.175 175.824 174.600 0.082 0.000 0.982 346 S CA -0.469 57.810 58.200 0.131 0.000 0.977 346 S CB -0.159 63.093 63.200 0.087 0.000 0.814 346 S HN 0.550 nan 8.310 nan 0.000 0.464 347 I N 1.388 121.998 120.570 0.067 0.000 4.906 347 I HA -0.360 3.810 4.170 0.000 0.000 0.038 347 I C 2.211 178.352 176.117 0.040 0.000 0.635 347 I CA 1.841 63.088 61.300 -0.089 0.000 0.214 347 I CB -2.230 35.676 38.000 -0.155 0.000 0.324 347 I HN 0.425 nan 8.210 nan 0.000 0.150 348 G N 0.230 109.043 108.800 0.021 0.000 2.462 348 G HA2 0.031 3.991 3.960 0.000 0.000 0.220 348 G HA3 0.031 3.991 3.960 0.000 0.000 0.220 348 G C 1.475 176.402 174.900 0.045 0.000 1.121 348 G CA 2.058 47.179 45.100 0.035 0.000 0.758 348 G HN 1.049 nan 8.290 nan 0.000 0.559 349 A N -0.289 122.561 122.820 0.051 0.000 2.072 349 A HA 0.320 4.640 4.320 0.000 0.000 0.216 349 A C 2.399 180.013 177.584 0.051 0.000 1.156 349 A CA 1.105 53.174 52.037 0.052 0.000 0.701 349 A CB -0.306 18.729 19.000 0.058 0.000 0.816 349 A HN 0.285 nan 8.150 nan 0.000 0.458 350 V N 0.129 120.081 119.914 0.064 0.000 2.407 350 V HA -0.143 3.977 4.120 0.000 0.000 0.248 350 V C 2.425 178.526 176.094 0.013 0.000 1.055 350 V CA 2.273 64.594 62.300 0.035 0.000 1.049 350 V CB -0.690 31.148 31.823 0.024 0.000 0.662 350 V HN 0.540 nan 8.190 nan 0.000 0.455 351 G N -1.165 107.657 108.800 0.037 0.000 2.443 351 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 351 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 351 G C 1.675 176.588 174.900 0.022 0.000 1.131 351 G CA 0.919 46.032 45.100 0.022 0.000 0.775 351 G HN 0.682 nan 8.290 nan 0.000 0.547 352 A N 0.448 123.286 122.820 0.030 0.000 1.898 352 A HA 0.201 4.521 4.320 0.000 0.000 0.214 352 A C 2.279 179.871 177.584 0.013 0.000 1.183 352 A CA 1.414 53.471 52.037 0.033 0.000 0.622 352 A CB -0.430 18.594 19.000 0.040 0.000 0.824 352 A HN 0.417 nan 8.150 nan 0.000 0.444 353 L N 0.561 121.792 121.223 0.013 0.000 1.956 353 L HA -0.236 4.104 4.340 0.000 0.000 0.216 353 L C 2.117 178.979 176.870 -0.014 0.000 1.073 353 L CA 2.801 57.644 54.840 0.006 0.000 0.762 353 L CB -0.894 41.176 42.059 0.018 0.000 0.889 353 L HN 0.544 nan 8.230 nan 0.000 0.433 354 E N -0.871 119.316 120.200 -0.021 0.000 2.204 354 E HA -0.174 4.176 4.350 0.000 0.000 0.195 354 E C 2.084 178.652 176.600 -0.054 0.000 0.990 354 E CA 1.202 57.584 56.400 -0.030 0.000 0.821 354 E CB -0.147 29.519 29.700 -0.057 0.000 0.750 354 E HN 0.547 nan 8.360 nan 0.000 0.477 355 S N 0.380 116.050 115.700 -0.050 0.000 2.368 355 S HA -0.126 4.344 4.470 0.000 0.000 0.225 355 S C 2.197 176.612 174.600 -0.308 0.000 1.030 355 S CA 0.825 58.949 58.200 -0.126 0.000 0.999 355 S CB -0.112 63.130 63.200 0.070 0.000 0.844 355 S HN 0.075 nan 8.310 nan 0.000 0.459 356 V N 2.517 122.325 119.914 -0.178 0.000 2.255 356 V HA -0.194 3.927 4.120 0.000 0.000 0.247 356 V C 2.210 178.132 176.094 -0.286 0.000 1.051 356 V CA 1.683 63.858 62.300 -0.209 0.000 1.018 356 V CB -0.875 30.880 31.823 -0.114 0.000 0.641 356 V HN 0.429 nan 8.190 nan 0.000 0.445 357 L N -0.189 120.924 121.223 -0.184 0.000 2.042 357 L HA -0.213 4.127 4.340 0.000 0.000 0.210 357 L C 2.621 179.376 176.870 -0.193 0.000 1.076 357 L CA 2.075 56.818 54.840 -0.163 0.000 0.749 357 L CB -1.354 40.795 42.059 0.151 0.000 0.893 357 L HN 0.369 nan 8.230 nan 0.000 0.432 358 T N -0.433 114.027 114.554 -0.157 0.000 2.720 358 T HA -0.173 4.177 4.350 0.000 0.000 0.268 358 T C 2.039 176.543 174.700 -0.327 0.000 1.037 358 T CA 1.431 63.434 62.100 -0.162 0.000 1.144 358 T CB -0.332 68.376 68.868 -0.266 0.000 0.864 358 T HN 0.076 nan 8.240 nan 0.000 0.444 359 V N 1.601 121.199 119.914 -0.526 0.000 2.261 359 V HA -0.131 3.989 4.120 0.000 0.000 0.246 359 V C 2.500 178.380 176.094 -0.358 0.000 1.047 359 V CA 1.564 63.596 62.300 -0.447 0.000 1.015 359 V CB -0.675 30.890 31.823 -0.430 0.000 0.642 359 V HN 0.468 nan 8.190 nan 0.000 0.446 360 L N -0.605 120.285 121.223 -0.555 0.000 2.131 360 L HA -0.168 4.172 4.340 0.000 0.000 0.210 360 L C 2.567 179.125 176.870 -0.521 0.000 1.092 360 L CA 1.697 56.037 54.840 -0.834 0.000 0.759 360 L CB -1.098 39.873 42.059 -1.815 0.000 0.903 360 L HN 0.356 nan 8.230 nan 0.000 0.435 361 T N 0.486 114.867 114.554 -0.289 0.000 2.708 361 T HA -0.147 4.203 4.350 0.000 0.000 0.266 361 T C 1.998 176.758 174.700 0.100 0.000 1.037 361 T CA 1.313 63.459 62.100 0.076 0.000 1.146 361 T CB -0.186 68.654 68.868 -0.046 0.000 0.865 361 T HN 0.194 nan 8.240 nan 0.000 0.435 362 L N 0.246 121.484 121.223 0.025 0.000 2.056 362 L HA -0.012 4.328 4.340 0.000 0.000 0.207 362 L C 2.861 179.766 176.870 0.059 0.000 1.078 362 L CA 1.205 56.088 54.840 0.072 0.000 0.749 362 L CB -0.438 41.651 42.059 0.051 0.000 0.901 362 L HN 0.125 nan 8.230 nan 0.000 0.433 363 R N 0.138 120.641 120.500 0.005 0.000 2.073 363 R HA -0.172 4.168 4.340 0.000 0.000 0.234 363 R C 1.074 177.415 176.300 0.068 0.000 1.134 363 R CA 1.935 58.046 56.100 0.017 0.000 0.952 363 R CB -0.007 30.263 30.300 -0.049 0.000 0.850 363 R HN 0.301 nan 8.270 nan 0.000 0.433 364 D N -1.443 119.029 120.400 0.120 0.000 2.369 364 D HA 0.137 4.777 4.640 0.000 0.000 0.211 364 D C 0.377 176.802 176.300 0.209 0.000 1.077 364 D CA 0.736 54.859 54.000 0.204 0.000 0.842 364 D CB 0.784 41.812 40.800 0.381 0.000 0.947 364 D HN 0.461 nan 8.370 nan 0.000 0.509 365 G N 1.207 110.120 108.800 0.187 0.000 2.366 365 G HA2 -0.189 3.771 3.960 0.000 0.000 0.299 365 G HA3 -0.189 3.771 3.960 0.000 0.000 0.299 365 G C 0.010 175.023 174.900 0.189 0.000 1.020 365 G CA 0.756 45.942 45.100 0.143 0.000 1.026 365 G HN 0.397 nan 8.290 nan 0.000 0.512 366 V N -0.024 120.058 119.914 0.279 0.000 2.969 366 V HA 0.730 4.850 4.120 0.000 0.000 0.304 366 V C -0.672 175.407 176.094 -0.025 0.000 1.192 366 V CA -1.214 61.114 62.300 0.048 0.000 0.962 366 V CB 2.006 33.671 31.823 -0.263 0.000 1.045 366 V HN 0.375 nan 8.190 nan 0.000 0.428 367 I N 7.472 127.897 120.570 -0.242 0.000 2.389 367 I HA 0.473 4.643 4.170 0.000 0.000 0.288 367 I C -2.336 173.419 176.117 -0.603 0.000 0.999 367 I CA -2.111 58.912 61.300 -0.462 0.000 1.129 367 I CB 2.172 39.849 38.000 -0.539 0.000 1.288 367 I HN 0.474 nan 8.210 nan 0.000 0.444 368 P HA 0.092 nan 4.420 nan 0.000 0.270 368 P C -2.542 174.393 177.300 -0.609 0.000 1.227 368 P CA -1.073 61.569 63.100 -0.765 0.000 0.788 368 P CB -0.362 30.865 31.700 -0.788 0.000 0.926 369 P HA 0.067 nan 4.420 nan 0.000 0.280 369 P C -0.601 176.760 177.300 0.102 0.000 1.244 369 P CA 0.052 63.094 63.100 -0.097 0.000 0.784 369 P CB 0.076 31.743 31.700 -0.054 0.000 0.913 370 T N 4.579 119.253 114.554 0.201 0.000 2.761 370 T HA 0.149 4.499 4.350 0.000 0.000 0.287 370 T C 0.810 175.616 174.700 0.177 0.000 0.931 370 T CA -0.054 62.196 62.100 0.250 0.000 1.164 370 T CB -0.492 68.475 68.868 0.165 0.000 0.876 370 T HN 0.183 nan 8.240 nan 0.000 0.534 371 L N 3.848 125.162 121.223 0.152 0.000 2.473 371 L HA 0.129 4.469 4.340 0.000 0.000 0.268 371 L C 1.086 178.035 176.870 0.131 0.000 1.215 371 L CA -0.464 54.446 54.840 0.117 0.000 0.823 371 L CB 0.034 42.143 42.059 0.082 0.000 1.099 371 L HN 0.717 nan 8.230 nan 0.000 0.483 372 N N -0.357 118.409 118.700 0.111 0.000 2.753 372 N HA -0.293 4.448 4.740 0.000 0.000 0.251 372 N C -0.514 175.078 175.510 0.137 0.000 1.097 372 N CA 0.921 54.028 53.050 0.095 0.000 0.786 372 N CB -1.515 37.011 38.487 0.065 0.000 1.137 372 N HN 0.585 nan 8.380 nan 0.000 0.566 373 Y N 1.833 122.166 120.300 0.054 0.000 2.600 373 Y HA 0.225 4.775 4.550 0.000 0.000 0.351 373 Y C 1.317 177.248 175.900 0.051 0.000 1.042 373 Y CA 0.220 58.360 58.100 0.067 0.000 1.333 373 Y CB 0.214 38.730 38.460 0.094 0.000 1.172 373 Y HN 0.059 nan 8.280 nan 0.000 0.517 374 E N 1.645 121.696 120.200 -0.248 0.000 2.414 374 E HA 0.141 4.491 4.350 0.000 0.000 0.208 374 E C -0.333 176.124 176.600 -0.238 0.000 0.820 374 E CA 0.221 56.519 56.400 -0.170 0.000 1.143 374 E CB 0.902 30.559 29.700 -0.070 0.000 1.150 374 E HN 0.329 nan 8.360 nan 0.000 0.540 375 T N 3.438 117.802 114.554 -0.318 0.000 3.009 375 T HA 0.295 4.645 4.350 0.000 0.000 0.346 375 T C -2.749 171.766 174.700 -0.309 0.000 1.092 375 T CA -1.407 60.551 62.100 -0.237 0.000 1.080 375 T CB 1.694 70.487 68.868 -0.126 0.000 1.037 375 T HN -0.158 nan 8.240 nan 0.000 0.487 376 P HA 0.091 nan 4.420 nan 0.000 0.266 376 P C -0.471 176.809 177.300 -0.034 0.000 1.193 376 P CA -0.106 62.893 63.100 -0.167 0.000 0.770 376 P CB 0.532 32.215 31.700 -0.027 0.000 0.836 377 D N 2.786 123.220 120.400 0.056 0.000 2.344 377 D HA 0.209 4.849 4.640 0.000 0.000 0.239 377 D C -1.813 174.526 176.300 0.066 0.000 1.064 377 D CA -2.425 51.613 54.000 0.064 0.000 0.829 377 D CB 1.198 42.064 40.800 0.109 0.000 1.129 377 D HN 0.046 nan 8.370 nan 0.000 0.506 378 P HA -0.071 nan 4.420 nan 0.000 0.219 378 P C 0.653 177.974 177.300 0.034 0.000 1.146 378 P CA 0.825 63.944 63.100 0.032 0.000 0.808 378 P CB 0.490 32.202 31.700 0.021 0.000 0.779 379 E N -1.339 118.886 120.200 0.042 0.000 2.478 379 E HA 0.053 4.403 4.350 0.000 0.000 0.194 379 E C 1.749 178.379 176.600 0.050 0.000 1.045 379 E CA 0.255 56.678 56.400 0.038 0.000 0.868 379 E CB -0.166 29.555 29.700 0.035 0.000 0.885 379 E HN 0.282 nan 8.360 nan 0.000 0.505 380 I N 0.386 120.998 120.570 0.070 0.000 2.364 380 I HA -0.091 4.079 4.170 0.000 0.000 0.241 380 I C 0.538 176.655 176.117 0.001 0.000 1.082 380 I CA 0.527 61.865 61.300 0.063 0.000 1.401 380 I CB -0.836 37.242 38.000 0.131 0.000 1.126 380 I HN 0.040 nan 8.210 nan 0.000 0.429 381 D N 1.832 122.243 120.400 0.018 0.000 2.803 381 D HA -0.196 4.444 4.640 0.000 0.000 0.233 381 D C -0.657 175.617 176.300 -0.044 0.000 1.182 381 D CA 0.543 54.544 54.000 0.002 0.000 0.726 381 D CB -0.991 39.812 40.800 0.004 0.000 0.987 381 D HN 0.190 nan 8.370 nan 0.000 0.412 382 L N 0.449 121.620 121.223 -0.086 0.000 2.371 382 L HA 0.380 4.720 4.340 0.000 0.000 0.262 382 L C 0.353 177.142 176.870 -0.134 0.000 1.006 382 L CA -1.189 53.557 54.840 -0.156 0.000 0.818 382 L CB 1.674 43.530 42.059 -0.338 0.000 1.354 382 L HN -0.138 nan 8.230 nan 0.000 0.415 383 D N 1.862 122.194 120.400 -0.114 0.000 2.498 383 D HA 0.168 4.808 4.640 0.000 0.000 0.229 383 D C -0.621 175.593 176.300 -0.143 0.000 1.188 383 D CA -0.062 53.888 54.000 -0.084 0.000 1.028 383 D CB 0.300 41.079 40.800 -0.035 0.000 1.087 383 D HN 0.055 nan 8.370 nan 0.000 0.510 384 V N 4.048 123.810 119.914 -0.253 0.000 2.455 384 V HA 0.085 4.205 4.120 0.000 0.000 0.273 384 V C 0.700 176.640 176.094 -0.256 0.000 1.045 384 V CA -0.829 61.243 62.300 -0.379 0.000 0.976 384 V CB 1.376 32.659 31.823 -0.900 0.000 0.993 384 V HN 0.200 nan 8.190 nan 0.000 0.475 385 V N 5.290 125.134 119.914 -0.117 0.000 2.529 385 V HA 0.563 4.683 4.120 0.000 0.000 0.292 385 V C 0.593 176.659 176.094 -0.047 0.000 1.028 385 V CA 0.635 62.897 62.300 -0.064 0.000 1.074 385 V CB 0.515 32.298 31.823 -0.068 0.000 0.958 385 V HN 1.107 nan 8.190 nan 0.000 0.481 386 A N 3.507 126.324 122.820 -0.005 0.000 2.610 386 A HA 0.796 5.117 4.320 0.000 0.000 0.291 386 A C 0.827 178.445 177.584 0.057 0.000 1.086 386 A CA 0.145 52.219 52.037 0.062 0.000 0.677 386 A CB 1.211 20.322 19.000 0.186 0.000 1.278 386 A HN 1.823 nan 8.150 nan 0.000 0.414 387 G N -0.306 108.533 108.800 0.064 0.000 2.550 387 G HA2 -0.141 3.819 3.960 0.000 0.000 0.233 387 G HA3 -0.141 3.819 3.960 0.000 0.000 0.233 387 G C 0.165 175.071 174.900 0.010 0.000 1.170 387 G CA 1.535 46.661 45.100 0.043 0.000 0.693 387 G HN 2.070 nan 8.290 nan 0.000 0.512 388 E N -0.011 120.180 120.200 -0.014 0.000 2.423 388 E HA 0.534 4.884 4.350 0.000 0.000 0.280 388 E C -3.494 173.039 176.600 -0.112 0.000 1.030 388 E CA -2.060 54.314 56.400 -0.045 0.000 0.812 388 E CB 1.121 30.818 29.700 -0.007 0.000 1.313 388 E HN 0.153 nan 8.360 nan 0.000 0.456 389 P HA 0.195 nan 4.420 nan 0.000 0.268 389 P C -0.602 176.502 177.300 -0.327 0.000 1.205 389 P CA -0.128 62.755 63.100 -0.362 0.000 0.771 389 P CB 0.417 31.781 31.700 -0.559 0.000 0.858 390 R N 3.399 123.727 120.500 -0.287 0.000 2.204 390 R HA 0.279 4.619 4.340 0.000 0.000 0.341 390 R C -0.603 175.629 176.300 -0.114 0.000 1.035 390 R CA -0.447 55.583 56.100 -0.117 0.000 0.887 390 R CB -0.145 30.155 30.300 -0.000 0.000 1.114 390 R HN 0.409 nan 8.270 nan 0.000 0.473 391 Y N 1.987 122.291 120.300 0.007 0.000 2.304 391 Y HA 0.546 5.096 4.550 0.000 0.000 0.327 391 Y C 1.234 177.011 175.900 -0.205 0.000 1.209 391 Y CA 0.540 58.606 58.100 -0.057 0.000 1.299 391 Y CB 1.804 40.219 38.460 -0.075 0.000 1.249 391 Y HN 0.744 nan 8.280 nan 0.000 0.519 392 G N 0.588 109.136 108.800 -0.420 0.000 2.576 392 G HA2 0.232 4.193 3.960 0.000 0.000 0.290 392 G HA3 0.232 4.193 3.960 0.000 0.000 0.290 392 G C -1.875 172.532 174.900 -0.822 0.000 1.442 392 G CA -0.911 43.695 45.100 -0.822 0.000 0.792 392 G HN 0.421 nan 8.290 nan 0.000 0.491 393 D N 0.182 120.274 120.400 -0.513 0.000 2.896 393 D HA 0.316 4.956 4.640 0.000 0.000 0.240 393 D C -0.415 175.770 176.300 -0.192 0.000 1.193 393 D CA -0.346 53.490 54.000 -0.275 0.000 0.983 393 D CB -0.488 40.228 40.800 -0.139 0.000 1.074 393 D HN 0.194 nan 8.370 nan 0.000 0.496 394 Y N 0.537 120.835 120.300 -0.003 0.000 2.465 394 Y HA 0.202 4.752 4.550 0.000 0.000 0.331 394 Y C 1.745 177.616 175.900 -0.049 0.000 1.102 394 Y CA -0.151 57.949 58.100 -0.000 0.000 1.358 394 Y CB 0.700 39.166 38.460 0.009 0.000 1.213 394 Y HN 0.118 nan 8.280 nan 0.000 0.525 395 R N 1.386 121.922 120.500 0.060 0.000 2.164 395 R HA 0.200 4.540 4.340 0.000 0.000 0.198 395 R C -0.852 175.164 176.300 -0.474 0.000 1.028 395 R CA 0.310 56.252 56.100 -0.264 0.000 1.083 395 R CB 0.469 30.558 30.300 -0.351 0.000 1.026 395 R HN 0.513 nan 8.270 nan 0.000 0.514 396 Y N -0.405 119.983 120.300 0.147 0.000 2.457 396 Y HA 0.671 5.221 4.550 0.000 0.000 0.343 396 Y C -0.583 175.396 175.900 0.132 0.000 0.994 396 Y CA -1.309 56.867 58.100 0.126 0.000 1.031 396 Y CB 2.247 40.757 38.460 0.083 0.000 1.246 396 Y HN -0.014 nan 8.280 nan 0.000 0.449 397 A N 1.558 124.553 122.820 0.291 0.000 2.515 397 A HA 0.909 5.229 4.320 0.000 0.000 0.296 397 A C -1.849 175.819 177.584 0.140 0.000 1.094 397 A CA -0.824 51.324 52.037 0.185 0.000 0.718 397 A CB 1.491 20.626 19.000 0.225 0.000 1.307 397 A HN 0.468 nan 8.150 nan 0.000 0.408 398 V N 1.898 121.821 119.914 0.016 0.000 2.448 398 V HA 0.378 4.498 4.120 0.000 0.000 0.295 398 V C -0.410 175.662 176.094 -0.035 0.000 1.025 398 V CA -0.723 61.578 62.300 0.002 0.000 0.859 398 V CB 1.663 33.465 31.823 -0.036 0.000 0.988 398 V HN 0.893 nan 8.190 nan 0.000 0.431 399 N N 4.253 122.979 118.700 0.044 0.000 2.426 399 N HA 0.333 5.073 4.740 0.000 0.000 0.275 399 N C -0.624 174.843 175.510 -0.072 0.000 1.019 399 N CA -0.230 52.822 53.050 0.002 0.000 0.941 399 N CB 0.812 39.363 38.487 0.107 0.000 1.123 399 N HN 0.615 nan 8.380 nan 0.000 0.486 400 N N 1.241 119.866 118.700 -0.126 0.000 2.443 400 N HA 0.434 5.174 4.740 0.000 0.000 0.295 400 N C -1.265 173.996 175.510 -0.415 0.000 1.076 400 N CA -0.252 52.618 53.050 -0.300 0.000 0.919 400 N CB 1.526 39.877 38.487 -0.226 0.000 1.176 400 N HN 0.374 nan 8.380 nan 0.000 0.487 401 S N 1.011 116.289 115.700 -0.704 0.000 2.541 401 S HA 0.705 5.175 4.470 0.000 0.000 0.280 401 S C -1.359 172.532 174.600 -1.181 0.000 1.112 401 S CA -0.536 57.233 58.200 -0.719 0.000 0.925 401 S CB 0.785 63.825 63.200 -0.267 0.000 1.067 401 S HN 0.321 nan 8.310 nan 0.000 0.479 402 F N 0.416 119.931 119.950 -0.726 0.000 2.603 402 F HA 0.868 5.395 4.527 0.000 0.000 0.317 402 F C 0.661 176.291 175.800 -0.284 0.000 1.066 402 F CA -0.772 56.995 58.000 -0.389 0.000 0.941 402 F CB 2.042 40.865 39.000 -0.294 0.000 1.291 402 F HN 0.696 nan 8.300 nan 0.000 0.472 403 G N 0.436 109.352 108.800 0.194 0.000 2.696 403 G HA2 0.556 4.516 3.960 0.000 0.000 0.295 403 G HA3 0.556 4.516 3.960 0.000 0.000 0.295 403 G C -1.637 173.473 174.900 0.350 0.000 1.398 403 G CA -0.722 44.510 45.100 0.220 0.000 0.920 403 G HN 0.241 nan 8.290 nan 0.000 0.492 404 F N 0.704 120.754 119.950 0.167 0.000 2.642 404 F HA 0.352 4.879 4.527 0.000 0.000 0.371 404 F C 1.730 177.554 175.800 0.040 0.000 1.120 404 F CA 1.394 59.455 58.000 0.102 0.000 1.331 404 F CB 0.902 39.970 39.000 0.113 0.000 1.044 404 F HN 1.180 nan 8.300 nan 0.000 0.594 405 G N 0.749 109.590 108.800 0.068 0.000 2.259 405 G HA2 0.058 4.018 3.960 0.000 0.000 0.217 405 G HA3 0.058 4.018 3.960 0.000 0.000 0.217 405 G C 0.866 175.493 174.900 -0.454 0.000 1.001 405 G CA 0.229 45.202 45.100 -0.211 0.000 0.627 405 G HN 1.904 nan 8.290 nan 0.000 0.501 406 G N -0.285 108.331 108.800 -0.306 0.000 2.131 406 G HA2 -0.137 3.823 3.960 0.000 0.000 0.201 406 G HA3 -0.137 3.823 3.960 0.000 0.000 0.201 406 G C -0.030 174.786 174.900 -0.140 0.000 1.000 406 G CA 0.532 45.535 45.100 -0.161 0.000 0.680 406 G HN 1.362 nan 8.290 nan 0.000 0.514 407 H N 0.791 119.951 119.070 0.150 0.000 2.580 407 H HA 0.428 4.984 4.556 0.000 0.000 0.322 407 H C -0.105 175.334 175.328 0.185 0.000 1.082 407 H CA -0.224 55.904 56.048 0.132 0.000 1.383 407 H CB 0.787 30.608 29.762 0.099 0.000 1.450 407 H HN 0.230 nan 8.280 nan 0.000 0.505 408 N N 2.592 121.461 118.700 0.281 0.000 2.399 408 N HA 0.253 4.993 4.740 0.000 0.000 0.280 408 N C -0.878 174.683 175.510 0.085 0.000 1.008 408 N CA -0.459 52.766 53.050 0.292 0.000 0.894 408 N CB 2.840 41.520 38.487 0.322 0.000 1.273 408 N HN 0.218 nan 8.380 nan 0.000 0.486 409 V N 0.744 120.604 119.914 -0.091 0.000 2.531 409 V HA 0.790 4.910 4.120 0.000 0.000 0.301 409 V C -0.360 175.613 176.094 -0.201 0.000 1.034 409 V CA -0.900 61.323 62.300 -0.128 0.000 0.865 409 V CB 1.538 33.291 31.823 -0.116 0.000 0.995 409 V HN 0.766 nan 8.190 nan 0.000 0.424 410 A N 5.801 128.530 122.820 -0.151 0.000 2.343 410 A HA 0.948 5.268 4.320 0.000 0.000 0.316 410 A C -1.122 176.348 177.584 -0.190 0.000 1.104 410 A CA -0.514 51.431 52.037 -0.153 0.000 0.768 410 A CB 1.155 20.095 19.000 -0.100 0.000 1.213 410 A HN 0.796 nan 8.150 nan 0.000 0.456 411 L N 2.006 123.119 121.223 -0.183 0.000 2.333 411 L HA 0.685 5.025 4.340 0.000 0.000 0.280 411 L C 0.413 177.095 176.870 -0.313 0.000 1.004 411 L CA -0.581 54.064 54.840 -0.325 0.000 0.820 411 L CB 2.077 43.950 42.059 -0.310 0.000 1.247 411 L HN 0.781 nan 8.230 nan 0.000 0.416 412 A N 3.761 126.316 122.820 -0.442 0.000 2.252 412 A HA 0.746 5.066 4.320 0.000 0.000 0.309 412 A C -0.934 176.417 177.584 -0.388 0.000 1.285 412 A CA -0.140 51.724 52.037 -0.287 0.000 0.900 412 A CB -0.052 18.802 19.000 -0.245 0.000 1.157 412 A HN 0.499 nan 8.150 nan 0.000 0.536 413 F N 1.247 121.189 119.950 -0.013 0.000 2.523 413 F HA 0.727 5.254 4.527 0.000 0.000 0.329 413 F C 0.914 176.803 175.800 0.149 0.000 1.061 413 F CA -0.151 57.872 58.000 0.039 0.000 0.967 413 F CB 2.590 41.603 39.000 0.022 0.000 1.218 413 F HN 0.686 nan 8.300 nan 0.000 0.480 414 G N 0.726 109.743 108.800 0.362 0.000 2.612 414 G HA2 0.473 4.433 3.960 0.000 0.000 0.298 414 G HA3 0.473 4.433 3.960 0.000 0.000 0.298 414 G C -1.710 173.263 174.900 0.122 0.000 1.336 414 G CA -1.084 44.164 45.100 0.246 0.000 0.953 414 G HN 0.628 nan 8.290 nan 0.000 0.482 415 R N 0.299 120.776 120.500 -0.038 0.000 2.570 415 R HA 0.179 4.519 4.340 0.000 0.000 0.277 415 R C -0.612 175.721 176.300 0.055 0.000 1.039 415 R CA -0.260 55.842 56.100 0.003 0.000 1.065 415 R CB 0.295 30.553 30.300 -0.070 0.000 0.964 415 R HN 0.608 nan 8.270 nan 0.000 0.428 416 Y N 0.000 120.302 120.300 0.004 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 416 Y CA 0.000 58.110 58.100 0.017 0.000 1.940 416 Y CB 0.000 38.477 38.460 0.029 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758