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 3fp4_1_A DATA FIRST_RESID 109 DATA SEQUENCE EPDIAQLKGL SPSQRQAYAV QLKNRGNHFF TAKNFNEAIK YYQYAIELDP DATA SEQUENCE NEPVFYSNIS ACYISTGDLE KVIEFTTKAL EIKPDHSKAL LRRASANESL DATA SEQUENCE GNFTDAMFDL SVLSXXXXXX XXXXXPMLER NLNKQAMKVL NENLXXXXXX DATA SEQUENCE XXXVLPSNTS LASFFGIFDS HLEVSSVNTS SNYDTAYALL SDALQRLYSA DATA SEQUENCE TDEGYLVAND LLTKSTDMYH SLLSXXTVDD PLRENAALAL CYTGIFHFLK DATA SEQUENCE NNLLDAQVLL QESINLHPTP NSYIFLALTL ADKENSQEFF KFFQKAVDLN DATA SEQUENCE PEYPPTYYHR GQMYFILQDY KNAKEDFQKA QSLNPENVYP YIQLACLLYK DATA SEQUENCE QGKFTESEAF FNETKLKFPT LPEVPTFFAE ILTDRGDFDT AIKQYDIAKR DATA SEQUENCE LEEVQEKIHV GIGPLIGKAT ILARQSSXXX XXLDEEKFNA AIKLLTKACE DATA SEQUENCE LDPRSEQAKI GLAQLKLQME KIDEAIELFE DSAILARTMD EKLQATTFAE DATA SEQUENCE AAKIQKRLRA 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 109 E HA 0.000 nan 4.350 nan 0.000 0.291 109 E C 0.000 176.531 176.600 -0.116 0.000 1.382 109 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 109 E CB 0.000 29.742 29.700 0.071 0.000 0.812 110 P HA 0.060 nan 4.420 nan 0.000 0.262 110 P C -0.764 176.316 177.300 -0.367 0.000 1.182 110 P CA 0.344 63.227 63.100 -0.362 0.000 0.761 110 P CB 0.612 31.973 31.700 -0.564 0.000 0.795 111 D N 2.772 123.025 120.400 -0.245 0.000 2.551 111 D HA -0.000 4.639 4.640 -0.001 0.000 0.223 111 D C 1.186 177.367 176.300 -0.198 0.000 1.144 111 D CA -0.437 53.455 54.000 -0.179 0.000 1.025 111 D CB -0.092 40.626 40.800 -0.135 0.000 1.085 111 D HN 0.192 nan 8.370 nan 0.000 0.506 112 I N 3.649 124.098 120.570 -0.202 0.000 2.118 112 I HA -0.308 3.862 4.170 -0.001 0.000 0.241 112 I C 2.079 178.139 176.117 -0.095 0.000 1.070 112 I CA 1.993 63.201 61.300 -0.153 0.000 1.327 112 I CB -0.442 37.523 38.000 -0.058 0.000 1.034 112 I HN 0.327 nan 8.210 nan 0.000 0.405 113 A N -0.040 122.742 122.820 -0.062 0.000 1.909 113 A HA -0.364 3.956 4.320 -0.001 0.000 0.221 113 A C 2.209 179.756 177.584 -0.062 0.000 1.223 113 A CA 2.475 54.485 52.037 -0.046 0.000 0.658 113 A CB -1.017 17.962 19.000 -0.035 0.000 0.831 113 A HN 0.659 nan 8.150 nan 0.000 0.462 114 Q N -0.540 119.207 119.800 -0.088 0.000 2.079 114 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 114 Q C 2.282 178.207 176.000 -0.125 0.000 0.974 114 Q CA 1.344 57.088 55.803 -0.098 0.000 0.840 114 Q CB -0.539 28.132 28.738 -0.111 0.000 0.898 114 Q HN 0.771 nan 8.270 nan 0.000 0.430 115 L N 0.616 121.729 121.223 -0.183 0.000 2.046 115 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 115 L C 2.413 179.220 176.870 -0.105 0.000 1.077 115 L CA 1.165 55.864 54.840 -0.234 0.000 0.747 115 L CB -0.494 41.365 42.059 -0.332 0.000 0.896 115 L HN 0.196 nan 8.230 nan 0.000 0.432 116 K N 0.156 120.518 120.400 -0.063 0.000 2.160 116 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 116 K C 1.754 178.349 176.600 -0.008 0.000 1.047 116 K CA 1.403 57.681 56.287 -0.016 0.000 0.930 116 K CB -0.414 32.082 32.500 -0.006 0.000 0.720 116 K HN 0.428 nan 8.250 nan 0.000 0.450 117 G N 0.733 109.519 108.800 -0.024 0.000 3.124 117 G HA2 0.084 4.044 3.960 -0.001 0.000 0.212 117 G HA3 0.084 4.044 3.960 -0.001 0.000 0.212 117 G C 0.443 175.338 174.900 -0.007 0.000 1.181 117 G CA -0.147 44.945 45.100 -0.013 0.000 0.803 117 G HN 0.006 nan 8.290 nan 0.000 0.529 118 L N 0.668 121.888 121.223 -0.005 0.000 2.400 118 L HA 0.396 4.735 4.340 -0.001 0.000 0.264 118 L C 1.328 178.219 176.870 0.036 0.000 1.061 118 L CA -0.837 54.014 54.840 0.017 0.000 0.799 118 L CB 1.468 43.543 42.059 0.027 0.000 1.240 118 L HN 0.188 nan 8.230 nan 0.000 0.461 119 S N 0.779 116.506 115.700 0.045 0.000 2.580 119 S HA 0.087 4.556 4.470 -0.001 0.000 0.261 119 S C -1.896 172.739 174.600 0.058 0.000 1.366 119 S CA -0.715 57.513 58.200 0.046 0.000 0.996 119 S CB 0.557 63.783 63.200 0.043 0.000 0.902 119 S HN 0.441 nan 8.310 nan 0.000 0.566 120 P HA -0.038 nan 4.420 nan 0.000 0.217 120 P C 1.977 179.316 177.300 0.066 0.000 1.154 120 P CA 1.597 64.732 63.100 0.057 0.000 0.841 120 P CB -0.352 31.376 31.700 0.046 0.000 0.788 121 S N -0.068 115.666 115.700 0.056 0.000 2.370 121 S HA -0.284 4.186 4.470 -0.001 0.000 0.226 121 S C 2.118 176.760 174.600 0.069 0.000 1.033 121 S CA 1.358 59.591 58.200 0.054 0.000 1.011 121 S CB -1.502 61.721 63.200 0.038 0.000 0.852 121 S HN 0.141 nan 8.310 nan 0.000 0.457 122 Q N 0.719 120.573 119.800 0.089 0.000 2.135 122 Q HA -0.030 4.309 4.340 -0.001 0.000 0.204 122 Q C 2.646 178.788 176.000 0.237 0.000 0.981 122 Q CA 1.548 57.440 55.803 0.150 0.000 0.856 122 Q CB -0.167 28.669 28.738 0.164 0.000 0.902 122 Q HN 0.625 nan 8.270 nan 0.000 0.425 123 R N 0.168 120.770 120.500 0.171 0.000 2.073 123 R HA -0.115 4.225 4.340 -0.001 0.000 0.229 123 R C 2.250 178.659 176.300 0.181 0.000 1.120 123 R CA 1.104 57.311 56.100 0.178 0.000 0.967 123 R CB -0.160 30.209 30.300 0.115 0.000 0.862 123 R HN 0.313 nan 8.270 nan 0.000 0.436 124 Q N 0.580 120.463 119.800 0.138 0.000 2.014 124 Q HA -0.196 4.144 4.340 -0.001 0.000 0.207 124 Q C 2.281 178.346 176.000 0.108 0.000 0.993 124 Q CA 2.137 58.016 55.803 0.127 0.000 0.850 124 Q CB -0.293 28.499 28.738 0.091 0.000 0.916 124 Q HN 0.386 nan 8.270 nan 0.000 0.417 125 A N -0.002 122.853 122.820 0.058 0.000 1.903 125 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 125 A C 1.847 179.359 177.584 -0.120 0.000 1.191 125 A CA 1.940 53.945 52.037 -0.053 0.000 0.638 125 A CB -1.174 17.753 19.000 -0.121 0.000 0.823 125 A HN 0.500 nan 8.150 nan 0.000 0.451 126 Y N -0.358 119.964 120.300 0.036 0.000 2.200 126 Y HA -0.048 4.501 4.550 -0.001 0.000 0.290 126 Y C 2.939 178.858 175.900 0.032 0.000 1.137 126 Y CA 0.971 59.085 58.100 0.024 0.000 1.163 126 Y CB -0.560 37.903 38.460 0.004 0.000 0.988 126 Y HN 0.342 nan 8.280 nan 0.000 0.518 127 A N -0.370 122.560 122.820 0.184 0.000 1.908 127 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 127 A C 2.436 180.076 177.584 0.093 0.000 1.181 127 A CA 1.929 54.037 52.037 0.118 0.000 0.627 127 A CB -1.273 17.882 19.000 0.258 0.000 0.818 127 A HN 0.248 nan 8.150 nan 0.000 0.445 128 V N 0.132 120.133 119.914 0.144 0.000 2.231 128 V HA -0.337 3.783 4.120 -0.001 0.000 0.248 128 V C 2.817 178.943 176.094 0.054 0.000 1.054 128 V CA 2.439 64.810 62.300 0.118 0.000 1.015 128 V CB -0.708 31.161 31.823 0.076 0.000 0.638 128 V HN 0.716 nan 8.190 nan 0.000 0.444 129 Q N -0.497 119.306 119.800 0.004 0.000 2.045 129 Q HA -0.240 4.100 4.340 -0.001 0.000 0.206 129 Q C 2.232 178.249 176.000 0.028 0.000 0.991 129 Q CA 2.220 58.013 55.803 -0.017 0.000 0.851 129 Q CB -0.321 28.373 28.738 -0.072 0.000 0.911 129 Q HN 0.629 nan 8.270 nan 0.000 0.418 130 L N 0.534 121.810 121.223 0.088 0.000 2.141 130 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 130 L C 2.766 179.704 176.870 0.114 0.000 1.094 130 L CA 1.056 55.998 54.840 0.170 0.000 0.763 130 L CB -0.411 41.774 42.059 0.211 0.000 0.908 130 L HN 0.179 nan 8.230 nan 0.000 0.437 131 K N 0.291 120.715 120.400 0.039 0.000 2.026 131 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 131 K C 1.878 178.585 176.600 0.180 0.000 1.048 131 K CA 1.405 57.768 56.287 0.127 0.000 0.929 131 K CB -0.048 32.538 32.500 0.143 0.000 0.713 131 K HN 0.350 nan 8.250 nan 0.000 0.439 132 N N 0.921 119.674 118.700 0.088 0.000 2.166 132 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 132 N C 1.862 177.341 175.510 -0.050 0.000 1.019 132 N CA 1.034 54.108 53.050 0.040 0.000 0.856 132 N CB -0.110 38.380 38.487 0.005 0.000 0.993 132 N HN 0.275 nan 8.380 nan 0.000 0.426 133 R N 0.350 120.756 120.500 -0.157 0.000 2.080 133 R HA -0.089 4.250 4.340 -0.001 0.000 0.236 133 R C 2.422 178.523 176.300 -0.332 0.000 1.137 133 R CA 1.402 57.264 56.100 -0.398 0.000 0.943 133 R CB -0.852 29.038 30.300 -0.683 0.000 0.846 133 R HN 0.222 nan 8.270 nan 0.000 0.431 134 G N 1.675 110.346 108.800 -0.216 0.000 2.469 134 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.219 134 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.219 134 G C 1.195 176.048 174.900 -0.077 0.000 1.150 134 G CA 1.057 45.972 45.100 -0.307 0.000 0.763 134 G HN 0.256 nan 8.290 nan 0.000 0.561 135 N N 0.118 118.898 118.700 0.133 0.000 2.069 135 N HA -0.111 4.629 4.740 -0.001 0.000 0.191 135 N C 1.809 177.423 175.510 0.172 0.000 1.031 135 N CA 1.421 54.615 53.050 0.241 0.000 0.852 135 N CB -0.786 37.813 38.487 0.186 0.000 1.018 135 N HN 0.585 nan 8.380 nan 0.000 0.423 136 H N -0.116 118.906 119.070 -0.078 0.000 2.292 136 H HA -0.157 4.399 4.556 -0.000 0.000 0.292 136 H C 1.614 176.822 175.328 -0.201 0.000 1.100 136 H CA 2.085 58.000 56.048 -0.221 0.000 1.238 136 H CB -0.408 29.071 29.762 -0.473 0.000 1.355 136 H HN 0.129 nan 8.280 nan 0.000 0.484 137 F N -0.744 119.154 119.950 -0.086 0.000 2.146 137 F HA -0.078 4.449 4.527 -0.001 0.000 0.298 137 F C 2.438 178.132 175.800 -0.176 0.000 1.096 137 F CA 1.142 59.044 58.000 -0.164 0.000 1.275 137 F CB -1.210 37.727 39.000 -0.105 0.000 1.008 137 F HN 0.220 nan 8.300 nan 0.000 0.480 138 F N 0.893 120.874 119.950 0.051 0.000 2.120 138 F HA -0.296 4.230 4.527 -0.001 0.000 0.300 138 F C 2.323 178.123 175.800 0.000 0.000 1.095 138 F CA 2.198 60.261 58.000 0.105 0.000 1.249 138 F CB -0.768 38.405 39.000 0.289 0.000 0.995 138 F HN -0.134 nan 8.300 nan 0.000 0.480 139 T N 0.018 114.612 114.554 0.066 0.000 2.904 139 T HA 0.027 4.377 4.350 -0.001 0.000 0.267 139 T C 1.806 176.372 174.700 -0.223 0.000 1.059 139 T CA 0.959 63.031 62.100 -0.047 0.000 1.137 139 T CB -0.458 68.419 68.868 0.014 0.000 0.879 139 T HN 0.328 nan 8.240 nan 0.000 0.467 140 A N 1.217 123.857 122.820 -0.299 0.000 2.276 140 A HA 0.146 4.466 4.320 -0.001 0.000 0.212 140 A C 0.879 178.247 177.584 -0.360 0.000 1.230 140 A CA 0.103 51.962 52.037 -0.297 0.000 0.844 140 A CB -0.369 18.458 19.000 -0.290 0.000 0.860 140 A HN 0.368 nan 8.150 nan 0.000 0.486 141 K N -0.530 119.523 120.400 -0.579 0.000 3.048 141 K HA -0.200 4.120 4.320 -0.001 0.000 0.274 141 K C -0.209 175.726 176.600 -1.108 0.000 1.098 141 K CA 1.028 56.709 56.287 -1.010 0.000 0.807 141 K CB -2.086 30.115 32.500 -0.498 0.000 1.217 141 K HN 0.612 nan 8.250 nan 0.000 0.477 142 N N 0.720 118.976 118.700 -0.741 0.000 3.105 142 N HA 0.171 4.911 4.740 -0.001 0.000 0.256 142 N C 0.513 175.802 175.510 -0.369 0.000 1.174 142 N CA -0.466 52.316 53.050 -0.447 0.000 1.030 142 N CB -0.183 38.198 38.487 -0.177 0.000 1.305 142 N HN -0.023 nan 8.380 nan 0.000 0.509 143 F N 0.472 120.377 119.950 -0.076 0.000 2.293 143 F HA -0.008 4.519 4.527 -0.000 0.000 0.300 143 F C 1.894 177.624 175.800 -0.118 0.000 1.086 143 F CA 0.490 58.450 58.000 -0.066 0.000 1.375 143 F CB -0.222 38.737 39.000 -0.068 0.000 1.045 143 F HN 0.341 nan 8.300 nan 0.000 0.516 144 N N 0.104 118.812 118.700 0.014 0.000 2.216 144 N HA -0.117 4.623 4.740 -0.001 0.000 0.183 144 N C 1.826 177.239 175.510 -0.162 0.000 1.017 144 N CA 0.842 53.851 53.050 -0.069 0.000 0.861 144 N CB -0.284 38.167 38.487 -0.060 0.000 0.986 144 N HN 0.200 nan 8.380 nan 0.000 0.428 145 E N 1.356 121.399 120.200 -0.263 0.000 2.072 145 E HA -0.002 4.348 4.350 -0.001 0.000 0.191 145 E C 1.920 178.415 176.600 -0.175 0.000 0.985 145 E CA 0.669 56.814 56.400 -0.425 0.000 0.801 145 E CB -0.390 28.584 29.700 -1.210 0.000 0.750 145 E HN 0.267 nan 8.360 nan 0.000 0.452 146 A N 1.885 124.654 122.820 -0.085 0.000 1.859 146 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 146 A C 2.261 179.617 177.584 -0.379 0.000 1.198 146 A CA 1.663 53.612 52.037 -0.147 0.000 0.629 146 A CB -0.785 18.293 19.000 0.131 0.000 0.830 146 A HN 0.209 nan 8.150 nan 0.000 0.446 147 I N -0.032 120.440 120.570 -0.163 0.000 2.194 147 I HA -0.277 3.893 4.170 -0.001 0.000 0.246 147 I C 2.485 178.480 176.117 -0.204 0.000 1.093 147 I CA 2.196 63.403 61.300 -0.156 0.000 1.355 147 I CB -1.011 36.832 38.000 -0.262 0.000 1.046 147 I HN 0.524 nan 8.210 nan 0.000 0.413 148 K N 0.527 120.777 120.400 -0.250 0.000 2.057 148 K HA -0.219 4.101 4.320 -0.001 0.000 0.207 148 K C 2.327 178.588 176.600 -0.564 0.000 1.049 148 K CA 1.607 57.642 56.287 -0.419 0.000 0.931 148 K CB -0.241 32.004 32.500 -0.425 0.000 0.714 148 K HN 0.136 nan 8.250 nan 0.000 0.440 149 Y N -0.387 119.743 120.300 -0.284 0.000 2.200 149 Y HA -0.207 4.343 4.550 -0.001 0.000 0.290 149 Y C 2.088 177.928 175.900 -0.100 0.000 1.137 149 Y CA 1.391 59.449 58.100 -0.069 0.000 1.163 149 Y CB -0.282 38.165 38.460 -0.022 0.000 0.988 149 Y HN 0.101 nan 8.280 nan 0.000 0.518 150 Y N 0.104 120.408 120.300 0.006 0.000 2.207 150 Y HA -0.284 4.266 4.550 -0.001 0.000 0.287 150 Y C 2.371 178.141 175.900 -0.217 0.000 1.156 150 Y CA 0.960 58.959 58.100 -0.168 0.000 1.182 150 Y CB -0.956 37.417 38.460 -0.144 0.000 0.979 150 Y HN 0.212 nan 8.280 nan 0.000 0.521 151 Q N -1.274 118.496 119.800 -0.050 0.000 2.079 151 Q HA -0.180 4.160 4.340 -0.001 0.000 0.200 151 Q C 2.121 178.097 176.000 -0.041 0.000 0.974 151 Q CA 1.195 56.953 55.803 -0.075 0.000 0.840 151 Q CB -0.717 27.945 28.738 -0.127 0.000 0.898 151 Q HN 0.511 nan 8.270 nan 0.000 0.430 152 Y N 1.015 121.257 120.300 -0.097 0.000 2.069 152 Y HA -0.265 4.284 4.550 -0.000 0.000 0.278 152 Y C 2.532 178.372 175.900 -0.099 0.000 1.175 152 Y CA 1.041 59.079 58.100 -0.103 0.000 1.134 152 Y CB -1.173 37.197 38.460 -0.149 0.000 0.965 152 Y HN 0.143 nan 8.280 nan 0.000 0.498 153 A N 0.063 122.868 122.820 -0.025 0.000 1.902 153 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 153 A C 2.367 179.846 177.584 -0.175 0.000 1.181 153 A CA 1.796 53.649 52.037 -0.307 0.000 0.623 153 A CB -1.176 17.236 19.000 -0.979 0.000 0.818 153 A HN 0.472 nan 8.150 nan 0.000 0.443 154 I N -0.061 120.455 120.570 -0.091 0.000 2.194 154 I HA -0.302 3.868 4.170 -0.001 0.000 0.246 154 I C 2.207 178.424 176.117 0.167 0.000 1.093 154 I CA 1.715 63.095 61.300 0.134 0.000 1.355 154 I CB -0.548 37.467 38.000 0.025 0.000 1.046 154 I HN 0.442 nan 8.210 nan 0.000 0.413 155 E N 0.417 120.691 120.200 0.124 0.000 2.401 155 E HA -0.160 4.190 4.350 -0.001 0.000 0.199 155 E C 1.750 178.423 176.600 0.122 0.000 1.023 155 E CA 0.887 57.361 56.400 0.123 0.000 0.859 155 E CB 0.031 29.800 29.700 0.115 0.000 0.780 155 E HN 0.560 nan 8.360 nan 0.000 0.523 156 L N -0.418 120.890 121.223 0.143 0.000 2.781 156 L HA 0.203 4.543 4.340 -0.001 0.000 0.245 156 L C 0.304 177.288 176.870 0.191 0.000 1.118 156 L CA -0.070 54.857 54.840 0.144 0.000 0.918 156 L CB 0.876 43.014 42.059 0.131 0.000 1.246 156 L HN -0.114 nan 8.230 nan 0.000 0.526 157 D N -0.073 120.488 120.400 0.268 0.000 2.634 157 D HA 0.113 4.753 4.640 -0.001 0.000 0.236 157 D C -2.168 174.322 176.300 0.316 0.000 1.323 157 D CA -1.161 53.005 54.000 0.276 0.000 0.884 157 D CB 1.196 42.182 40.800 0.309 0.000 1.496 157 D HN -0.204 nan 8.370 nan 0.000 0.525 158 P HA -0.052 nan 4.420 nan 0.000 0.228 158 P C 0.721 178.209 177.300 0.312 0.000 1.151 158 P CA 0.658 63.947 63.100 0.314 0.000 0.770 158 P CB 0.234 32.079 31.700 0.240 0.000 0.786 159 N N -0.447 118.358 118.700 0.176 0.000 2.467 159 N HA -0.057 4.683 4.740 -0.001 0.000 0.184 159 N C 0.398 175.930 175.510 0.036 0.000 1.106 159 N CA -0.069 53.040 53.050 0.098 0.000 0.892 159 N CB 0.070 38.589 38.487 0.055 0.000 0.969 159 N HN 0.034 nan 8.380 nan 0.000 0.454 160 E N 1.638 121.798 120.200 -0.066 0.000 2.089 160 E HA 0.117 4.467 4.350 -0.001 0.000 0.284 160 E C -1.791 174.679 176.600 -0.218 0.000 1.023 160 E CA -2.615 53.583 56.400 -0.337 0.000 0.819 160 E CB 1.132 30.248 29.700 -0.973 0.000 1.076 160 E HN 0.059 nan 8.360 nan 0.000 0.396 161 P HA -0.120 nan 4.420 nan 0.000 0.223 161 P C 1.173 178.438 177.300 -0.058 0.000 1.151 161 P CA 0.419 63.532 63.100 0.022 0.000 0.787 161 P CB 0.368 32.041 31.700 -0.045 0.000 0.788 162 V N -0.377 119.453 119.914 -0.141 0.000 2.407 162 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 162 V C 2.414 178.470 176.094 -0.064 0.000 1.055 162 V CA 1.746 63.999 62.300 -0.078 0.000 1.049 162 V CB -1.421 30.381 31.823 -0.034 0.000 0.662 162 V HN -0.079 nan 8.190 nan 0.000 0.455 163 F N -0.247 119.592 119.950 -0.185 0.000 2.095 163 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 163 F C 2.353 177.904 175.800 -0.414 0.000 1.104 163 F CA 1.106 58.888 58.000 -0.363 0.000 1.232 163 F CB -1.832 36.954 39.000 -0.358 0.000 0.987 163 F HN 0.217 nan 8.300 nan 0.000 0.475 164 Y N -0.331 120.046 120.300 0.128 0.000 2.181 164 Y HA -0.196 4.354 4.550 -0.001 0.000 0.288 164 Y C 2.873 178.791 175.900 0.030 0.000 1.146 164 Y CA 1.539 59.737 58.100 0.165 0.000 1.164 164 Y CB -1.279 37.276 38.460 0.159 0.000 0.982 164 Y HN 0.073 nan 8.280 nan 0.000 0.515 165 S N -0.019 115.696 115.700 0.026 0.000 2.383 165 S HA -0.168 4.301 4.470 -0.001 0.000 0.227 165 S C 1.910 176.440 174.600 -0.116 0.000 1.026 165 S CA 1.449 59.610 58.200 -0.066 0.000 0.981 165 S CB -0.323 62.775 63.200 -0.171 0.000 0.818 165 S HN 0.434 nan 8.310 nan 0.000 0.472 166 N N 1.461 119.990 118.700 -0.286 0.000 2.142 166 N HA 0.101 4.840 4.740 -0.001 0.000 0.186 166 N C 1.674 176.934 175.510 -0.417 0.000 1.023 166 N CA 1.212 53.939 53.050 -0.537 0.000 0.852 166 N CB -0.451 37.342 38.487 -1.156 0.000 0.998 166 N HN 0.448 nan 8.380 nan 0.000 0.424 167 I N 0.584 120.944 120.570 -0.351 0.000 2.226 167 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 167 I C 2.210 178.234 176.117 -0.155 0.000 1.100 167 I CA 1.107 62.268 61.300 -0.233 0.000 1.374 167 I CB -0.324 37.418 38.000 -0.430 0.000 1.057 167 I HN 0.194 nan 8.210 nan 0.000 0.413 168 S N 1.237 116.960 115.700 0.039 0.000 2.419 168 S HA -0.129 4.340 4.470 -0.001 0.000 0.233 168 S C 2.169 176.831 174.600 0.104 0.000 1.016 168 S CA 0.897 59.208 58.200 0.184 0.000 0.974 168 S CB -0.368 62.963 63.200 0.219 0.000 0.786 168 S HN 0.398 nan 8.310 nan 0.000 0.492 169 A N 0.734 123.569 122.820 0.026 0.000 1.930 169 A HA 0.002 4.322 4.320 -0.001 0.000 0.217 169 A C 2.483 180.157 177.584 0.150 0.000 1.175 169 A CA 1.279 53.356 52.037 0.067 0.000 0.627 169 A CB -1.482 17.467 19.000 -0.085 0.000 0.815 169 A HN 0.710 nan 8.150 nan 0.000 0.443 170 C N -1.970 117.390 119.300 0.099 0.000 2.432 170 C HA -0.121 4.338 4.460 -0.001 0.000 0.277 170 C C 2.477 177.307 174.990 -0.267 0.000 1.249 170 C CA 0.984 59.970 59.018 -0.052 0.000 1.725 170 C CB -1.592 26.119 27.740 -0.049 0.000 2.028 170 C HN 0.710 nan 8.230 nan 0.000 0.477 171 Y N 0.371 120.641 120.300 -0.049 0.000 2.373 171 Y HA 0.003 4.553 4.550 -0.000 0.000 0.293 171 Y C 2.465 178.328 175.900 -0.061 0.000 1.129 171 Y CA 0.424 58.496 58.100 -0.048 0.000 1.226 171 Y CB -0.686 37.782 38.460 0.012 0.000 1.000 171 Y HN 0.218 nan 8.280 nan 0.000 0.549 172 I N -0.915 119.711 120.570 0.093 0.000 2.208 172 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 172 I C 1.975 178.054 176.117 -0.064 0.000 1.097 172 I CA 1.522 62.843 61.300 0.035 0.000 1.363 172 I CB -1.147 36.885 38.000 0.053 0.000 1.051 172 I HN 0.079 nan 8.210 nan 0.000 0.413 173 S N -0.123 115.437 115.700 -0.233 0.000 2.607 173 S HA -0.043 4.427 4.470 -0.001 0.000 0.224 173 S C 1.679 176.052 174.600 -0.379 0.000 0.969 173 S CA 1.129 59.045 58.200 -0.474 0.000 0.927 173 S CB -0.166 62.268 63.200 -1.277 0.000 0.772 173 S HN 0.666 nan 8.310 nan 0.000 0.533 174 T N -3.074 111.369 114.554 -0.185 0.000 2.985 174 T HA 0.438 4.788 4.350 -0.001 0.000 0.254 174 T C 1.430 176.144 174.700 0.024 0.000 1.021 174 T CA 0.663 62.745 62.100 -0.031 0.000 0.957 174 T CB 0.460 69.366 68.868 0.063 0.000 1.047 174 T HN 0.390 nan 8.240 nan 0.000 0.511 175 G N 1.732 110.543 108.800 0.018 0.000 2.159 175 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.256 175 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.256 175 G C -0.177 174.745 174.900 0.037 0.000 0.977 175 G CA 0.056 45.172 45.100 0.027 0.000 0.652 175 G HN 0.646 nan 8.290 nan 0.000 0.531 176 D N 0.871 121.311 120.400 0.067 0.000 2.435 176 D HA 0.385 5.024 4.640 -0.001 0.000 0.230 176 D C 1.872 178.158 176.300 -0.024 0.000 1.215 176 D CA -0.330 53.673 54.000 0.004 0.000 0.947 176 D CB -0.074 40.690 40.800 -0.059 0.000 1.048 176 D HN 0.300 nan 8.370 nan 0.000 0.512 177 L N 2.467 123.679 121.223 -0.018 0.000 2.072 177 L HA -0.124 4.216 4.340 -0.001 0.000 0.205 177 L C 1.986 178.840 176.870 -0.025 0.000 1.079 177 L CA 0.705 55.541 54.840 -0.007 0.000 0.752 177 L CB -0.175 41.878 42.059 -0.011 0.000 0.906 177 L HN 0.227 nan 8.230 nan 0.000 0.436 178 E N 0.384 120.553 120.200 -0.052 0.000 2.097 178 E HA -0.218 4.132 4.350 -0.001 0.000 0.196 178 E C 2.136 178.693 176.600 -0.072 0.000 1.000 178 E CA 1.128 57.490 56.400 -0.063 0.000 0.804 178 E CB -0.143 29.514 29.700 -0.073 0.000 0.740 178 E HN 0.200 nan 8.360 nan 0.000 0.454 179 K N 0.184 120.497 120.400 -0.144 0.000 2.155 179 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 179 K C 2.121 178.795 176.600 0.122 0.000 1.052 179 K CA 0.616 56.791 56.287 -0.188 0.000 0.948 179 K CB -0.283 31.628 32.500 -0.981 0.000 0.728 179 K HN 0.095 nan 8.250 nan 0.000 0.448 180 V N 2.125 122.106 119.914 0.112 0.000 2.332 180 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 180 V C 2.373 178.552 176.094 0.142 0.000 1.055 180 V CA 1.344 63.757 62.300 0.189 0.000 1.038 180 V CB -0.396 31.503 31.823 0.126 0.000 0.651 180 V HN 0.164 nan 8.190 nan 0.000 0.450 181 I N 0.093 120.701 120.570 0.062 0.000 2.142 181 I HA -0.224 3.946 4.170 -0.001 0.000 0.240 181 I C 2.566 178.679 176.117 -0.006 0.000 1.078 181 I CA 1.878 63.190 61.300 0.019 0.000 1.343 181 I CB -1.140 36.849 38.000 -0.018 0.000 1.046 181 I HN 0.517 nan 8.210 nan 0.000 0.405 182 E N 0.868 121.046 120.200 -0.037 0.000 2.038 182 E HA -0.255 4.094 4.350 -0.001 0.000 0.195 182 E C 2.370 178.835 176.600 -0.225 0.000 1.000 182 E CA 1.727 58.023 56.400 -0.174 0.000 0.803 182 E CB -0.192 29.354 29.700 -0.258 0.000 0.750 182 E HN 0.354 nan 8.360 nan 0.000 0.448 183 F N 0.853 120.850 119.950 0.079 0.000 2.206 183 F HA -0.130 4.397 4.527 -0.001 0.000 0.298 183 F C 2.855 178.704 175.800 0.081 0.000 1.090 183 F CA 1.637 59.723 58.000 0.143 0.000 1.323 183 F CB -0.666 38.481 39.000 0.245 0.000 1.028 183 F HN 0.195 nan 8.300 nan 0.000 0.492 184 T N -3.531 111.131 114.554 0.179 0.000 2.777 184 T HA -0.159 4.191 4.350 -0.001 0.000 0.266 184 T C 1.909 176.610 174.700 0.002 0.000 1.040 184 T CA 1.796 63.944 62.100 0.078 0.000 1.141 184 T CB -1.072 67.841 68.868 0.076 0.000 0.868 184 T HN 0.171 nan 8.240 nan 0.000 0.444 185 T N 1.981 116.519 114.554 -0.027 0.000 2.788 185 T HA -0.042 4.308 4.350 -0.001 0.000 0.268 185 T C 1.951 176.564 174.700 -0.145 0.000 1.044 185 T CA 1.395 63.449 62.100 -0.076 0.000 1.139 185 T CB -0.254 68.561 68.868 -0.089 0.000 0.867 185 T HN 0.518 nan 8.240 nan 0.000 0.454 186 K N 1.435 121.709 120.400 -0.209 0.000 2.009 186 K HA -0.011 4.309 4.320 -0.001 0.000 0.210 186 K C 2.757 179.101 176.600 -0.427 0.000 1.049 186 K CA 1.271 57.322 56.287 -0.394 0.000 0.929 186 K CB -0.455 31.709 32.500 -0.561 0.000 0.714 186 K HN 0.282 nan 8.250 nan 0.000 0.440 187 A N 1.349 124.027 122.820 -0.236 0.000 1.927 187 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 187 A C 2.122 179.616 177.584 -0.149 0.000 1.185 187 A CA 1.666 53.598 52.037 -0.175 0.000 0.639 187 A CB -0.717 18.166 19.000 -0.196 0.000 0.820 187 A HN 0.214 nan 8.150 nan 0.000 0.451 188 L N -0.746 120.414 121.223 -0.105 0.000 2.270 188 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 188 L C 2.488 179.324 176.870 -0.056 0.000 1.104 188 L CA 0.691 55.504 54.840 -0.045 0.000 0.804 188 L CB -0.451 41.605 42.059 -0.006 0.000 0.937 188 L HN 0.422 nan 8.230 nan 0.000 0.450 189 E N 0.777 120.916 120.200 -0.101 0.000 2.070 189 E HA -0.264 4.086 4.350 -0.001 0.000 0.197 189 E C 2.215 178.762 176.600 -0.088 0.000 1.004 189 E CA 1.567 57.907 56.400 -0.101 0.000 0.805 189 E CB -0.360 29.253 29.700 -0.144 0.000 0.744 189 E HN 0.515 nan 8.360 nan 0.000 0.451 190 I N 0.607 121.107 120.570 -0.116 0.000 2.113 190 I HA -0.204 3.965 4.170 -0.001 0.000 0.238 190 I C 1.797 177.895 176.117 -0.032 0.000 1.070 190 I CA 1.237 62.492 61.300 -0.075 0.000 1.332 190 I CB 0.025 37.976 38.000 -0.082 0.000 1.044 190 I HN -0.074 nan 8.210 nan 0.000 0.402 191 K N 1.288 121.678 120.400 -0.017 0.000 2.675 191 K HA 0.241 4.560 4.320 -0.001 0.000 0.224 191 K C -2.179 174.447 176.600 0.042 0.000 1.003 191 K CA -1.557 54.744 56.287 0.023 0.000 1.034 191 K CB 1.357 33.892 32.500 0.058 0.000 1.218 191 K HN -0.173 nan 8.250 nan 0.000 0.507 192 P HA -0.149 nan 4.420 nan 0.000 0.226 192 P C 0.091 177.424 177.300 0.056 0.000 1.146 192 P CA 1.077 64.202 63.100 0.040 0.000 0.773 192 P CB 0.200 31.921 31.700 0.035 0.000 0.772 193 D N -2.564 117.870 120.400 0.057 0.000 2.395 193 D HA -0.060 4.580 4.640 -0.001 0.000 0.213 193 D C 0.355 176.692 176.300 0.062 0.000 1.110 193 D CA -0.550 53.477 54.000 0.045 0.000 0.835 193 D CB -1.602 39.208 40.800 0.016 0.000 0.965 193 D HN 0.199 nan 8.370 nan 0.000 0.505 194 H N 0.958 120.028 119.070 0.000 0.000 3.184 194 H HA 0.081 4.637 4.556 -0.001 0.000 0.274 194 H C 0.910 176.241 175.328 0.005 0.000 0.962 194 H CA 0.321 56.370 56.048 0.001 0.000 1.441 194 H CB 0.776 30.541 29.762 0.004 0.000 1.518 194 H HN -0.168 nan 8.280 nan 0.000 0.539 195 S N 4.188 119.798 115.700 -0.150 0.000 2.355 195 S HA -0.146 4.324 4.470 -0.001 0.000 0.222 195 S C 1.844 176.463 174.600 0.031 0.000 1.031 195 S CA 1.155 59.326 58.200 -0.050 0.000 0.993 195 S CB 0.029 63.177 63.200 -0.087 0.000 0.859 195 S HN 0.678 nan 8.310 nan 0.000 0.453 196 K N 1.344 121.757 120.400 0.021 0.000 2.147 196 K HA 0.025 4.344 4.320 -0.001 0.000 0.205 196 K C 2.287 179.018 176.600 0.219 0.000 1.049 196 K CA 1.098 57.464 56.287 0.133 0.000 0.936 196 K CB -0.266 32.317 32.500 0.138 0.000 0.722 196 K HN 0.341 nan 8.250 nan 0.000 0.446 197 A N 0.989 124.050 122.820 0.401 0.000 1.968 197 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 197 A C 2.013 179.674 177.584 0.129 0.000 1.169 197 A CA 0.990 53.135 52.037 0.180 0.000 0.638 197 A CB -0.343 18.676 19.000 0.033 0.000 0.812 197 A HN 0.132 nan 8.150 nan 0.000 0.446 198 L N -1.291 120.013 121.223 0.135 0.000 2.068 198 L HA -0.089 4.250 4.340 -0.001 0.000 0.204 198 L C 2.472 179.389 176.870 0.079 0.000 1.076 198 L CA 0.661 55.557 54.840 0.093 0.000 0.753 198 L CB -0.437 41.667 42.059 0.074 0.000 0.910 198 L HN 0.380 nan 8.230 nan 0.000 0.439 199 L N 0.186 121.454 121.223 0.075 0.000 2.012 199 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 199 L C 2.703 179.614 176.870 0.069 0.000 1.073 199 L CA 1.826 56.704 54.840 0.062 0.000 0.748 199 L CB -0.533 41.557 42.059 0.052 0.000 0.891 199 L HN 0.091 nan 8.230 nan 0.000 0.431 200 R N -1.316 119.232 120.500 0.080 0.000 2.115 200 R HA -0.114 4.226 4.340 -0.001 0.000 0.230 200 R C 2.426 178.771 176.300 0.074 0.000 1.111 200 R CA 1.184 57.331 56.100 0.078 0.000 0.976 200 R CB -0.324 30.028 30.300 0.087 0.000 0.870 200 R HN 0.314 nan 8.270 nan 0.000 0.445 201 R N 0.459 121.003 120.500 0.074 0.000 2.119 201 R HA -0.009 4.331 4.340 -0.001 0.000 0.222 201 R C 2.009 178.344 176.300 0.057 0.000 1.088 201 R CA 1.157 57.295 56.100 0.063 0.000 0.984 201 R CB -0.072 30.265 30.300 0.062 0.000 0.884 201 R HN 0.201 nan 8.270 nan 0.000 0.447 202 A N -0.004 122.856 122.820 0.066 0.000 1.933 202 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 202 A C 2.135 179.757 177.584 0.064 0.000 1.175 202 A CA 1.891 53.969 52.037 0.069 0.000 0.628 202 A CB -0.608 18.436 19.000 0.072 0.000 0.814 202 A HN 0.427 nan 8.150 nan 0.000 0.444 203 S N -0.491 115.245 115.700 0.061 0.000 2.368 203 S HA 0.019 4.488 4.470 -0.001 0.000 0.224 203 S C 2.177 176.805 174.600 0.047 0.000 1.029 203 S CA 1.439 59.674 58.200 0.059 0.000 0.988 203 S CB -0.450 62.785 63.200 0.058 0.000 0.838 203 S HN 0.797 nan 8.310 nan 0.000 0.462 204 A N 1.746 124.590 122.820 0.040 0.000 1.969 204 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 204 A C 2.066 179.646 177.584 -0.006 0.000 1.169 204 A CA 1.526 53.577 52.037 0.023 0.000 0.635 204 A CB -0.691 18.327 19.000 0.030 0.000 0.810 204 A HN 0.588 nan 8.150 nan 0.000 0.445 205 N N -0.445 118.251 118.700 -0.007 0.000 2.250 205 N HA -0.118 4.621 4.740 -0.001 0.000 0.181 205 N C 1.750 177.201 175.510 -0.100 0.000 1.017 205 N CA 1.340 54.359 53.050 -0.052 0.000 0.866 205 N CB -0.277 38.194 38.487 -0.026 0.000 0.985 205 N HN 0.774 nan 8.380 nan 0.000 0.429 206 E N 0.672 120.869 120.200 -0.005 0.000 2.058 206 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 206 E C 1.621 178.234 176.600 0.020 0.000 0.997 206 E CA 1.398 57.844 56.400 0.076 0.000 0.801 206 E CB 0.030 29.838 29.700 0.180 0.000 0.746 206 E HN 0.095 nan 8.360 nan 0.000 0.450 207 S N 0.354 116.065 115.700 0.018 0.000 2.383 207 S HA -0.105 4.365 4.470 -0.001 0.000 0.229 207 S C 1.770 176.341 174.600 -0.049 0.000 1.030 207 S CA 0.963 59.168 58.200 0.008 0.000 1.002 207 S CB -0.157 63.051 63.200 0.014 0.000 0.829 207 S HN 0.310 nan 8.310 nan 0.000 0.467 208 L N 0.607 121.768 121.223 -0.102 0.000 2.610 208 L HA 0.137 4.477 4.340 -0.001 0.000 0.232 208 L C 1.693 178.413 176.870 -0.250 0.000 1.149 208 L CA 0.386 55.145 54.840 -0.134 0.000 0.872 208 L CB -0.641 41.349 42.059 -0.116 0.000 0.992 208 L HN 0.500 nan 8.230 nan 0.000 0.447 209 G N 0.338 108.880 108.800 -0.430 0.000 2.168 209 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.257 209 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.257 209 G C 0.166 174.372 174.900 -1.157 0.000 0.997 209 G CA 0.057 44.535 45.100 -1.038 0.000 0.708 209 G HN 0.435 nan 8.290 nan 0.000 0.520 210 N N 0.649 118.958 118.700 -0.652 0.000 3.050 210 N HA 0.305 5.045 4.740 -0.001 0.000 0.289 210 N C 1.020 176.348 175.510 -0.303 0.000 1.209 210 N CA -0.125 52.691 53.050 -0.390 0.000 1.154 210 N CB -0.180 38.191 38.487 -0.193 0.000 1.444 210 N HN 0.230 nan 8.380 nan 0.000 0.529 211 F N 0.647 120.604 119.950 0.012 0.000 2.186 211 F HA -0.131 4.396 4.527 -0.001 0.000 0.299 211 F C 2.685 178.503 175.800 0.029 0.000 1.090 211 F CA 0.877 58.887 58.000 0.017 0.000 1.307 211 F CB -1.070 37.934 39.000 0.007 0.000 1.019 211 F HN 0.272 nan 8.300 nan 0.000 0.489 212 T N -2.534 112.123 114.554 0.173 0.000 2.777 212 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 212 T C 1.570 176.347 174.700 0.129 0.000 1.040 212 T CA 1.538 63.718 62.100 0.134 0.000 1.141 212 T CB -0.556 68.367 68.868 0.091 0.000 0.868 212 T HN 0.083 nan 8.240 nan 0.000 0.444 213 D N 2.112 122.555 120.400 0.072 0.000 2.117 213 D HA 0.033 4.673 4.640 -0.001 0.000 0.197 213 D C 2.531 178.908 176.300 0.129 0.000 0.987 213 D CA 1.476 55.520 54.000 0.074 0.000 0.829 213 D CB -0.795 40.006 40.800 0.001 0.000 0.961 213 D HN 0.557 nan 8.370 nan 0.000 0.460 214 A N 1.027 123.910 122.820 0.104 0.000 1.859 214 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 214 A C 2.319 179.982 177.584 0.131 0.000 1.198 214 A CA 1.870 53.977 52.037 0.117 0.000 0.629 214 A CB -0.763 18.319 19.000 0.138 0.000 0.830 214 A HN 0.156 nan 8.150 nan 0.000 0.446 215 M N -2.279 117.407 119.600 0.144 0.000 2.106 215 M HA -0.158 4.322 4.480 -0.001 0.000 0.259 215 M C 2.149 178.520 176.300 0.119 0.000 1.068 215 M CA 1.969 57.338 55.300 0.116 0.000 1.100 215 M CB -0.457 32.211 32.600 0.114 0.000 1.351 215 M HN 0.563 nan 8.290 nan 0.000 0.404 216 F N 1.468 121.436 119.950 0.031 0.000 2.069 216 F HA -0.290 4.237 4.527 -0.001 0.000 0.298 216 F C 1.982 177.793 175.800 0.020 0.000 1.113 216 F CA 1.962 59.975 58.000 0.022 0.000 1.214 216 F CB -0.225 38.784 39.000 0.016 0.000 0.978 216 F HN 0.125 nan 8.300 nan 0.000 0.474 217 D N 0.285 120.821 120.400 0.226 0.000 2.144 217 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 217 D C 2.422 178.732 176.300 0.016 0.000 0.978 217 D CA 1.235 55.308 54.000 0.122 0.000 0.833 217 D CB -0.405 40.478 40.800 0.138 0.000 0.961 217 D HN 0.321 nan 8.370 nan 0.000 0.470 218 L N 0.422 121.658 121.223 0.022 0.000 2.093 218 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 218 L C 2.459 179.301 176.870 -0.046 0.000 1.085 218 L CA 0.739 55.579 54.840 0.001 0.000 0.755 218 L CB -0.236 41.836 42.059 0.021 0.000 0.904 218 L HN -0.058 nan 8.230 nan 0.000 0.435 219 S N -0.457 115.190 115.700 -0.089 0.000 2.359 219 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 219 S C 2.029 176.514 174.600 -0.192 0.000 1.035 219 S CA 1.357 59.468 58.200 -0.148 0.000 1.018 219 S CB -0.308 62.769 63.200 -0.205 0.000 0.876 219 S HN 0.161 nan 8.310 nan 0.000 0.448 220 V N 2.073 121.823 119.914 -0.273 0.000 2.295 220 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 220 V C 2.280 178.314 176.094 -0.100 0.000 1.049 220 V CA 1.617 63.787 62.300 -0.216 0.000 1.024 220 V CB -0.769 30.920 31.823 -0.224 0.000 0.648 220 V HN 0.372 nan 8.190 nan 0.000 0.447 221 L N -0.297 120.888 121.223 -0.062 0.000 2.089 221 L HA -0.104 4.236 4.340 -0.001 0.000 0.213 221 L C 1.082 177.929 176.870 -0.039 0.000 1.079 221 L CA 2.213 57.034 54.840 -0.032 0.000 0.758 221 L CB -0.144 41.908 42.059 -0.011 0.000 0.891 221 L HN 0.535 nan 8.230 nan 0.000 0.433 235 M N -0.545 119.056 119.600 0.001 0.000 2.200 235 M HA 0.063 4.542 4.480 -0.001 0.000 0.265 235 M C 1.971 178.278 176.300 0.011 0.000 1.066 235 M CA 1.264 56.571 55.300 0.011 0.000 1.127 235 M CB -0.230 32.383 32.600 0.022 0.000 1.379 235 M HN -0.053 nan 8.290 nan 0.000 0.420 236 L N 0.145 121.372 121.223 0.006 0.000 2.017 236 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 236 L C 2.740 179.602 176.870 -0.013 0.000 1.073 236 L CA 1.207 56.049 54.840 0.004 0.000 0.745 236 L CB -0.506 41.551 42.059 -0.003 0.000 0.894 236 L HN 0.319 nan 8.230 nan 0.000 0.432 237 E N -0.046 120.139 120.200 -0.024 0.000 2.048 237 E HA -0.323 4.027 4.350 -0.001 0.000 0.202 237 E C 2.158 178.721 176.600 -0.063 0.000 1.021 237 E CA 1.676 58.050 56.400 -0.044 0.000 0.825 237 E CB -0.271 29.406 29.700 -0.039 0.000 0.756 237 E HN 0.376 nan 8.360 nan 0.000 0.454 238 R N 0.675 121.143 120.500 -0.052 0.000 2.083 238 R HA -0.159 4.181 4.340 -0.001 0.000 0.237 238 R C 1.942 178.171 176.300 -0.119 0.000 1.137 238 R CA 2.032 58.087 56.100 -0.074 0.000 0.951 238 R CB -0.196 30.080 30.300 -0.040 0.000 0.851 238 R HN 0.105 nan 8.270 nan 0.000 0.434 239 N N 0.341 119.005 118.700 -0.061 0.000 2.188 239 N HA -0.158 4.582 4.740 -0.001 0.000 0.184 239 N C 1.555 176.995 175.510 -0.117 0.000 1.018 239 N CA 1.093 54.109 53.050 -0.056 0.000 0.858 239 N CB -0.151 38.403 38.487 0.112 0.000 0.989 239 N HN 0.141 nan 8.380 nan 0.000 0.426 240 L N 1.110 122.287 121.223 -0.078 0.000 2.017 240 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 240 L C 1.321 178.101 176.870 -0.151 0.000 1.073 240 L CA 1.773 56.563 54.840 -0.085 0.000 0.745 240 L CB -0.767 41.252 42.059 -0.067 0.000 0.894 240 L HN 0.131 nan 8.230 nan 0.000 0.432 241 N N 0.200 118.796 118.700 -0.173 0.000 2.166 241 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 241 N C 1.738 177.088 175.510 -0.267 0.000 1.019 241 N CA 1.557 54.491 53.050 -0.194 0.000 0.856 241 N CB -0.248 38.143 38.487 -0.160 0.000 0.993 241 N HN 0.490 nan 8.380 nan 0.000 0.426 242 K N 0.433 120.580 120.400 -0.422 0.000 2.097 242 K HA -0.130 4.189 4.320 -0.001 0.000 0.205 242 K C 2.028 178.217 176.600 -0.685 0.000 1.050 242 K CA 0.862 56.718 56.287 -0.718 0.000 0.938 242 K CB -0.044 31.630 32.500 -1.375 0.000 0.718 242 K HN 0.063 nan 8.250 nan 0.000 0.442 243 Q N 1.301 120.808 119.800 -0.488 0.000 2.050 243 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 243 Q C 1.921 177.874 176.000 -0.078 0.000 0.980 243 Q CA 2.004 57.749 55.803 -0.096 0.000 0.840 243 Q CB -0.348 28.417 28.738 0.045 0.000 0.898 243 Q HN 0.280 nan 8.270 nan 0.000 0.424 244 A N 0.181 122.928 122.820 -0.122 0.000 1.908 244 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 244 A C 2.147 179.682 177.584 -0.082 0.000 1.181 244 A CA 1.988 53.965 52.037 -0.099 0.000 0.627 244 A CB -0.640 18.278 19.000 -0.136 0.000 0.818 244 A HN 0.546 nan 8.150 nan 0.000 0.445 245 M N -0.827 118.708 119.600 -0.109 0.000 2.132 245 M HA -0.138 4.342 4.480 -0.001 0.000 0.263 245 M C 2.286 178.564 176.300 -0.037 0.000 1.065 245 M CA 2.033 57.285 55.300 -0.080 0.000 1.122 245 M CB -0.360 32.178 32.600 -0.104 0.000 1.365 245 M HN 0.520 nan 8.290 nan 0.000 0.411 246 K N 0.800 121.189 120.400 -0.019 0.000 2.009 246 K HA -0.166 4.154 4.320 -0.001 0.000 0.210 246 K C 1.705 178.331 176.600 0.043 0.000 1.049 246 K CA 1.802 58.123 56.287 0.056 0.000 0.929 246 K CB -0.189 32.413 32.500 0.169 0.000 0.714 246 K HN 0.143 nan 8.250 nan 0.000 0.440 247 V N 1.641 121.575 119.914 0.034 0.000 2.343 247 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 247 V C 2.386 178.488 176.094 0.013 0.000 1.051 247 V CA 1.537 63.853 62.300 0.027 0.000 1.036 247 V CB -0.508 31.332 31.823 0.028 0.000 0.654 247 V HN 0.377 nan 8.190 nan 0.000 0.451 248 L N 1.040 122.262 121.223 -0.002 0.000 2.012 248 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 248 L C 2.228 179.097 176.870 -0.001 0.000 1.073 248 L CA 2.022 56.857 54.840 -0.007 0.000 0.748 248 L CB -1.092 40.953 42.059 -0.023 0.000 0.891 248 L HN 0.325 nan 8.230 nan 0.000 0.431 249 N N 0.007 118.707 118.700 0.000 0.000 2.104 249 N HA -0.211 4.529 4.740 -0.001 0.000 0.190 249 N C 1.786 177.303 175.510 0.011 0.000 1.024 249 N CA 1.666 54.719 53.050 0.005 0.000 0.853 249 N CB -0.255 38.237 38.487 0.008 0.000 1.008 249 N HN 0.526 nan 8.380 nan 0.000 0.424 250 E N 0.402 120.612 120.200 0.017 0.000 2.085 250 E HA -0.103 4.247 4.350 -0.001 0.000 0.194 250 E C 1.418 178.026 176.600 0.014 0.000 0.994 250 E CA 0.847 57.258 56.400 0.017 0.000 0.801 250 E CB -0.002 29.712 29.700 0.023 0.000 0.743 250 E HN 0.350 nan 8.360 nan 0.000 0.453 251 N N 0.232 118.940 118.700 0.013 0.000 2.216 251 N HA -0.046 4.693 4.740 -0.001 0.000 0.183 251 N C 0.888 176.403 175.510 0.008 0.000 1.017 251 N CA 0.610 53.667 53.050 0.012 0.000 0.861 251 N CB -0.080 38.415 38.487 0.014 0.000 0.986 251 N HN 0.083 nan 8.380 nan 0.000 0.428 263 L N 8.024 129.255 121.223 0.013 0.000 2.439 263 L HA 0.430 4.770 4.340 -0.001 0.000 0.269 263 L C -1.790 175.044 176.870 -0.060 0.000 1.179 263 L CA -1.328 53.498 54.840 -0.022 0.000 0.828 263 L CB 0.284 42.358 42.059 0.025 0.000 1.106 263 L HN 0.412 nan 8.230 nan 0.000 0.467 264 P HA -0.001 nan 4.420 nan 0.000 0.280 264 P C -0.283 176.957 177.300 -0.100 0.000 1.278 264 P CA -0.455 62.573 63.100 -0.120 0.000 0.787 264 P CB 0.358 31.952 31.700 -0.175 0.000 1.163 265 S N 0.099 115.750 115.700 -0.082 0.000 2.563 265 S HA -0.009 4.461 4.470 -0.001 0.000 0.284 265 S C 1.506 176.054 174.600 -0.087 0.000 1.331 265 S CA -0.328 57.838 58.200 -0.057 0.000 1.047 265 S CB -0.481 62.697 63.200 -0.037 0.000 0.859 265 S HN 0.289 nan 8.310 nan 0.000 0.514 266 N N 2.531 121.213 118.700 -0.030 0.000 2.137 266 N HA -0.112 4.627 4.740 -0.001 0.000 0.190 266 N C 1.749 177.258 175.510 -0.003 0.000 1.017 266 N CA 1.671 54.716 53.050 -0.009 0.000 0.859 266 N CB -0.940 37.640 38.487 0.154 0.000 1.002 266 N HN 0.605 nan 8.380 nan 0.000 0.428 267 T N 0.829 115.400 114.554 0.028 0.000 2.665 267 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 267 T C 2.122 176.843 174.700 0.036 0.000 1.035 267 T CA 1.737 63.867 62.100 0.051 0.000 1.151 267 T CB -0.336 68.556 68.868 0.039 0.000 0.862 267 T HN 0.270 nan 8.240 nan 0.000 0.438 268 S N 1.383 117.073 115.700 -0.016 0.000 2.402 268 S HA 0.088 4.558 4.470 -0.001 0.000 0.229 268 S C 2.066 176.643 174.600 -0.038 0.000 1.021 268 S CA 0.691 58.882 58.200 -0.015 0.000 0.974 268 S CB -0.425 62.744 63.200 -0.052 0.000 0.800 268 S HN 0.335 nan 8.310 nan 0.000 0.484 269 L N 1.191 122.309 121.223 -0.176 0.000 2.056 269 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 269 L C 2.809 179.689 176.870 0.017 0.000 1.078 269 L CA 1.135 55.809 54.840 -0.277 0.000 0.749 269 L CB -0.658 40.845 42.059 -0.927 0.000 0.901 269 L HN 0.331 nan 8.230 nan 0.000 0.433 270 A N -0.978 121.882 122.820 0.066 0.000 1.930 270 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 270 A C 2.540 180.287 177.584 0.271 0.000 1.175 270 A CA 1.937 54.173 52.037 0.331 0.000 0.627 270 A CB -0.613 18.574 19.000 0.312 0.000 0.815 270 A HN 0.366 nan 8.150 nan 0.000 0.443 271 S N -1.429 114.386 115.700 0.192 0.000 2.345 271 S HA -0.163 4.307 4.470 -0.001 0.000 0.220 271 S C 1.781 176.404 174.600 0.037 0.000 1.031 271 S CA 1.553 59.844 58.200 0.152 0.000 0.996 271 S CB -0.549 62.751 63.200 0.167 0.000 0.882 271 S HN 0.544 nan 8.310 nan 0.000 0.445 272 F N 1.224 121.134 119.950 -0.067 0.000 2.091 272 F HA -0.085 4.442 4.527 -0.001 0.000 0.299 272 F C 1.500 177.248 175.800 -0.086 0.000 1.103 272 F CA 1.763 59.663 58.000 -0.167 0.000 1.228 272 F CB -0.461 38.274 39.000 -0.441 0.000 0.984 272 F HN 0.289 nan 8.300 nan 0.000 0.477 273 F N 0.152 120.338 119.950 0.393 0.000 2.780 273 F HA 0.186 4.712 4.527 -0.001 0.000 0.299 273 F C 2.427 178.504 175.800 0.462 0.000 1.146 273 F CA 0.594 58.939 58.000 0.575 0.000 1.428 273 F CB -1.276 38.018 39.000 0.489 0.000 1.115 273 F HN 0.010 nan 8.300 nan 0.000 0.583 274 G N 0.575 109.525 108.800 0.250 0.000 2.469 274 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.219 274 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.219 274 G C 1.734 176.630 174.900 -0.007 0.000 1.150 274 G CA 1.027 46.202 45.100 0.125 0.000 0.763 274 G HN 0.329 nan 8.290 nan 0.000 0.561 275 I N 0.088 120.427 120.570 -0.384 0.000 2.493 275 I HA 0.170 4.340 4.170 -0.001 0.000 0.254 275 I C 0.423 176.312 176.117 -0.381 0.000 1.160 275 I CA -0.811 60.143 61.300 -0.577 0.000 1.445 275 I CB -0.299 37.072 38.000 -1.048 0.000 1.086 275 I HN -0.016 nan 8.210 nan 0.000 0.433 276 F N 0.979 121.033 119.950 0.174 0.000 2.418 276 F HA 0.167 4.694 4.527 -0.000 0.000 0.341 276 F C 0.930 176.807 175.800 0.128 0.000 1.120 276 F CA -0.455 57.685 58.000 0.234 0.000 1.232 276 F CB -0.053 39.258 39.000 0.519 0.000 1.175 276 F HN -0.089 nan 8.300 nan 0.000 0.569 277 D N 1.185 121.741 120.400 0.260 0.000 2.393 277 D HA 0.087 4.726 4.640 -0.001 0.000 0.232 277 D C 0.715 177.015 176.300 0.001 0.000 1.192 277 D CA 0.073 54.158 54.000 0.142 0.000 0.882 277 D CB 0.915 41.813 40.800 0.163 0.000 1.038 277 D HN 0.512 nan 8.370 nan 0.000 0.499 278 S N 3.003 118.643 115.700 -0.100 0.000 2.382 278 S HA -0.234 4.236 4.470 -0.001 0.000 0.228 278 S C 1.711 176.199 174.600 -0.187 0.000 1.027 278 S CA 1.056 58.997 58.200 -0.432 0.000 0.991 278 S CB -0.392 62.721 63.200 -0.145 0.000 0.823 278 S HN 0.747 nan 8.310 nan 0.000 0.469 279 H N 1.665 120.694 119.070 -0.069 0.000 2.357 279 H HA 0.074 4.630 4.556 0.000 0.000 0.301 279 H C 2.004 177.327 175.328 -0.009 0.000 1.082 279 H CA 1.424 57.461 56.048 -0.019 0.000 1.342 279 H CB -0.504 29.270 29.762 0.020 0.000 1.389 279 H HN 0.275 nan 8.280 nan 0.000 0.511 280 L N 0.682 121.883 121.223 -0.038 0.000 1.989 280 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 280 L C 2.062 178.898 176.870 -0.057 0.000 1.071 280 L CA 1.942 56.757 54.840 -0.042 0.000 0.749 280 L CB -0.583 41.553 42.059 0.127 0.000 0.890 280 L HN 0.266 nan 8.230 nan 0.000 0.431 281 E N -0.190 119.979 120.200 -0.052 0.000 2.049 281 E HA -0.215 4.134 4.350 -0.001 0.000 0.198 281 E C 2.330 178.887 176.600 -0.072 0.000 1.007 281 E CA 1.819 58.197 56.400 -0.036 0.000 0.809 281 E CB -0.942 28.661 29.700 -0.162 0.000 0.749 281 E HN 0.471 nan 8.360 nan 0.000 0.450 282 V N 1.448 121.281 119.914 -0.134 0.000 2.343 282 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 282 V C 1.980 178.017 176.094 -0.095 0.000 1.051 282 V CA 1.867 64.118 62.300 -0.082 0.000 1.036 282 V CB -0.458 31.338 31.823 -0.045 0.000 0.654 282 V HN 0.149 nan 8.190 nan 0.000 0.451 283 S N -0.325 115.260 115.700 -0.191 0.000 2.660 283 S HA -0.005 4.465 4.470 -0.001 0.000 0.223 283 S C 1.798 176.346 174.600 -0.086 0.000 0.963 283 S CA 0.549 58.641 58.200 -0.181 0.000 0.932 283 S CB 0.022 62.994 63.200 -0.379 0.000 0.775 283 S HN 0.539 nan 8.310 nan 0.000 0.531 284 S N 1.054 116.726 115.700 -0.046 0.000 2.558 284 S HA 0.130 4.599 4.470 -0.001 0.000 0.217 284 S C 0.678 175.284 174.600 0.008 0.000 0.975 284 S CA -0.060 58.138 58.200 -0.003 0.000 0.912 284 S CB 0.071 63.291 63.200 0.034 0.000 0.776 284 S HN 0.288 nan 8.310 nan 0.000 0.526 285 V N 3.893 123.817 119.914 0.016 0.000 2.479 285 V HA 0.115 4.234 4.120 -0.001 0.000 0.281 285 V C 0.513 176.617 176.094 0.018 0.000 1.031 285 V CA -0.591 61.737 62.300 0.047 0.000 1.038 285 V CB 0.330 32.215 31.823 0.103 0.000 0.981 285 V HN 0.317 nan 8.190 nan 0.000 0.478 286 N N 3.663 122.347 118.700 -0.026 0.000 2.442 286 N HA 0.049 4.789 4.740 -0.001 0.000 0.265 286 N C 1.103 176.467 175.510 -0.242 0.000 1.138 286 N CA 0.338 53.327 53.050 -0.101 0.000 0.956 286 N CB 1.596 40.014 38.487 -0.116 0.000 1.067 286 N HN 0.852 nan 8.380 nan 0.000 0.474 287 T N -1.492 112.912 114.554 -0.250 0.000 3.107 287 T HA -0.019 4.331 4.350 -0.001 0.000 0.249 287 T C 1.365 175.824 174.700 -0.401 0.000 1.096 287 T CA 0.221 62.057 62.100 -0.440 0.000 1.012 287 T CB -0.132 68.671 68.868 -0.108 0.000 0.977 287 T HN 0.379 nan 8.240 nan 0.000 0.527 288 S N 0.294 115.828 115.700 -0.276 0.000 2.540 288 S HA 0.282 4.752 4.470 -0.001 0.000 0.218 288 S C 0.827 175.324 174.600 -0.172 0.000 0.977 288 S CA -0.482 57.609 58.200 -0.182 0.000 0.918 288 S CB -0.165 62.966 63.200 -0.115 0.000 0.806 288 S HN 0.383 nan 8.310 nan 0.000 0.496 289 S N 1.263 116.833 115.700 -0.217 0.000 2.579 289 S HA 0.244 4.714 4.470 -0.001 0.000 0.275 289 S C 0.637 175.138 174.600 -0.165 0.000 1.345 289 S CA -0.300 57.822 58.200 -0.130 0.000 1.031 289 S CB 0.167 63.326 63.200 -0.068 0.000 0.892 289 S HN 0.624 nan 8.310 nan 0.000 0.529 290 N N 1.557 120.121 118.700 -0.227 0.000 2.280 290 N HA 0.231 4.971 4.740 -0.001 0.000 0.192 290 N C -0.412 174.634 175.510 -0.772 0.000 1.109 290 N CA 0.121 52.868 53.050 -0.505 0.000 0.855 290 N CB 0.387 38.462 38.487 -0.686 0.000 0.974 290 N HN 0.636 nan 8.380 nan 0.000 0.482 291 Y N -1.442 118.863 120.300 0.009 0.000 2.491 291 Y HA 0.179 4.731 4.550 0.004 0.000 0.276 291 Y C -0.010 175.918 175.900 0.047 0.000 1.041 291 Y CA -0.755 57.360 58.100 0.026 0.000 1.191 291 Y CB 0.362 38.836 38.460 0.024 0.000 1.365 291 Y HN -0.085 nan 8.280 nan 0.000 0.566 292 D N 1.952 122.468 120.400 0.193 0.000 2.346 292 D HA 0.012 4.651 4.640 -0.001 0.000 0.267 292 D C 1.033 177.470 176.300 0.228 0.000 1.320 292 D CA 0.668 54.794 54.000 0.211 0.000 0.951 292 D CB 0.832 41.766 40.800 0.224 0.000 1.079 292 D HN 0.365 nan 8.370 nan 0.000 0.509 293 T N 0.448 115.064 114.554 0.103 0.000 3.163 293 T HA 0.345 4.695 4.350 -0.001 0.000 0.252 293 T C 1.179 175.839 174.700 -0.067 0.000 1.056 293 T CA 0.144 62.271 62.100 0.044 0.000 0.947 293 T CB 0.466 69.337 68.868 0.005 0.000 1.016 293 T HN 0.215 nan 8.240 nan 0.000 0.554 294 A N 0.694 123.439 122.820 -0.125 0.000 2.288 294 A HA 0.315 4.635 4.320 -0.001 0.000 0.216 294 A C 1.706 179.250 177.584 -0.067 0.000 1.199 294 A CA 0.036 51.907 52.037 -0.278 0.000 0.891 294 A CB -0.602 17.883 19.000 -0.858 0.000 0.923 294 A HN 0.720 nan 8.150 nan 0.000 0.500 295 Y N -1.352 118.958 120.300 0.017 0.000 2.293 295 Y HA 0.145 4.694 4.550 -0.001 0.000 0.291 295 Y C 2.131 178.051 175.900 0.034 0.000 1.137 295 Y CA 0.889 59.051 58.100 0.103 0.000 1.202 295 Y CB -0.630 37.893 38.460 0.106 0.000 0.990 295 Y HN 0.162 nan 8.280 nan 0.000 0.537 296 A N 1.096 123.471 122.820 -0.743 0.000 1.898 296 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 296 A C 2.155 179.592 177.584 -0.245 0.000 1.181 296 A CA 1.517 53.216 52.037 -0.564 0.000 0.620 296 A CB -1.052 17.592 19.000 -0.592 0.000 0.819 296 A HN 0.514 nan 8.150 nan 0.000 0.442 297 L N -0.734 120.370 121.223 -0.198 0.000 2.083 297 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 297 L C 2.217 179.036 176.870 -0.086 0.000 1.083 297 L CA 1.724 56.487 54.840 -0.129 0.000 0.752 297 L CB -0.494 41.490 42.059 -0.124 0.000 0.899 297 L HN 0.400 nan 8.230 nan 0.000 0.433 298 L N -1.612 119.593 121.223 -0.029 0.000 2.141 298 L HA -0.104 4.236 4.340 -0.001 0.000 0.209 298 L C 2.577 179.429 176.870 -0.029 0.000 1.094 298 L CA 1.981 56.831 54.840 0.015 0.000 0.763 298 L CB -0.743 41.410 42.059 0.157 0.000 0.908 298 L HN 0.385 nan 8.230 nan 0.000 0.437 299 S N -1.180 114.505 115.700 -0.025 0.000 2.387 299 S HA -0.176 4.294 4.470 -0.001 0.000 0.226 299 S C 1.843 176.408 174.600 -0.058 0.000 1.026 299 S CA 1.143 59.328 58.200 -0.026 0.000 0.972 299 S CB -0.485 62.716 63.200 0.002 0.000 0.814 299 S HN 0.597 nan 8.310 nan 0.000 0.477 300 D N 1.439 121.792 120.400 -0.078 0.000 2.106 300 D HA -0.078 4.562 4.640 -0.001 0.000 0.191 300 D C 2.164 178.402 176.300 -0.102 0.000 0.997 300 D CA 1.578 55.528 54.000 -0.084 0.000 0.834 300 D CB -0.642 40.103 40.800 -0.091 0.000 0.956 300 D HN 0.467 nan 8.370 nan 0.000 0.448 301 A N 0.383 123.129 122.820 -0.124 0.000 1.873 301 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 301 A C 2.578 180.037 177.584 -0.209 0.000 1.193 301 A CA 1.534 53.465 52.037 -0.176 0.000 0.629 301 A CB -0.959 17.923 19.000 -0.197 0.000 0.826 301 A HN 0.359 nan 8.150 nan 0.000 0.447 302 L N -1.217 119.895 121.223 -0.186 0.000 2.046 302 L HA -0.249 4.091 4.340 -0.001 0.000 0.208 302 L C 2.940 179.782 176.870 -0.045 0.000 1.077 302 L CA 1.645 56.381 54.840 -0.173 0.000 0.747 302 L CB -0.691 41.277 42.059 -0.152 0.000 0.896 302 L HN 0.508 nan 8.230 nan 0.000 0.432 303 Q N -0.490 119.285 119.800 -0.042 0.000 2.061 303 Q HA -0.187 4.152 4.340 -0.001 0.000 0.204 303 Q C 2.473 178.448 176.000 -0.041 0.000 0.984 303 Q CA 1.301 57.099 55.803 -0.009 0.000 0.846 303 Q CB -0.013 28.713 28.738 -0.020 0.000 0.902 303 Q HN 0.342 nan 8.270 nan 0.000 0.421 304 R N 0.435 120.876 120.500 -0.097 0.000 2.081 304 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 304 R C 2.319 178.481 176.300 -0.229 0.000 1.131 304 R CA 0.844 56.859 56.100 -0.141 0.000 0.960 304 R CB -1.076 29.140 30.300 -0.139 0.000 0.856 304 R HN 0.261 nan 8.270 nan 0.000 0.436 305 L N 0.183 121.245 121.223 -0.269 0.000 1.990 305 L HA -0.193 4.147 4.340 -0.001 0.000 0.213 305 L C 1.704 178.269 176.870 -0.508 0.000 1.072 305 L CA 1.847 56.430 54.840 -0.428 0.000 0.755 305 L CB -0.909 40.807 42.059 -0.571 0.000 0.889 305 L HN 0.096 nan 8.230 nan 0.000 0.432 306 Y N 0.013 120.214 120.300 -0.165 0.000 2.578 306 Y HA 0.011 4.560 4.550 -0.001 0.000 0.297 306 Y C 2.672 178.536 175.900 -0.059 0.000 1.176 306 Y CA 0.702 58.765 58.100 -0.062 0.000 1.315 306 Y CB -0.790 37.673 38.460 0.006 0.000 1.031 306 Y HN 0.464 nan 8.280 nan 0.000 0.524 307 S N 0.369 116.048 115.700 -0.035 0.000 2.442 307 S HA -0.067 4.403 4.470 -0.001 0.000 0.236 307 S C 1.573 176.114 174.600 -0.099 0.000 1.007 307 S CA 0.327 58.493 58.200 -0.056 0.000 0.965 307 S CB -0.679 62.467 63.200 -0.090 0.000 0.773 307 S HN 0.491 nan 8.310 nan 0.000 0.504 308 A N 0.879 123.553 122.820 -0.244 0.000 2.466 308 A HA -0.038 4.282 4.320 -0.001 0.000 0.295 308 A C 0.581 178.092 177.584 -0.123 0.000 1.465 308 A CA 0.908 52.834 52.037 -0.184 0.000 0.744 308 A CB -2.504 16.545 19.000 0.082 0.000 1.098 308 A HN 1.546 nan 8.150 nan 0.000 0.402 309 T N -3.299 111.077 114.554 -0.296 0.000 2.906 309 T HA 0.639 4.989 4.350 -0.001 0.000 0.295 309 T C 0.563 175.224 174.700 -0.065 0.000 1.075 309 T CA -0.033 62.008 62.100 -0.098 0.000 1.005 309 T CB 1.500 70.325 68.868 -0.072 0.000 1.136 309 T HN 0.102 nan 8.240 nan 0.000 0.498 310 D N 0.777 121.223 120.400 0.077 0.000 2.126 310 D HA -0.172 4.467 4.640 -0.001 0.000 0.190 310 D C 1.629 177.979 176.300 0.083 0.000 1.001 310 D CA 1.611 55.690 54.000 0.131 0.000 0.841 310 D CB -0.082 40.773 40.800 0.093 0.000 0.949 310 D HN 0.832 nan 8.370 nan 0.000 0.446 311 E N 0.359 120.571 120.200 0.020 0.000 2.085 311 E HA -0.142 4.208 4.350 -0.001 0.000 0.194 311 E C 2.206 178.781 176.600 -0.041 0.000 0.994 311 E CA 1.145 57.544 56.400 -0.003 0.000 0.801 311 E CB -0.281 29.410 29.700 -0.015 0.000 0.743 311 E HN 0.284 nan 8.360 nan 0.000 0.453 312 G N 0.004 108.729 108.800 -0.125 0.000 2.476 312 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.218 312 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.218 312 G C 1.138 175.910 174.900 -0.212 0.000 1.164 312 G CA 1.216 46.174 45.100 -0.237 0.000 0.768 312 G HN 0.288 nan 8.290 nan 0.000 0.560 313 Y N 0.343 120.663 120.300 0.033 0.000 2.314 313 Y HA 0.145 4.695 4.550 -0.001 0.000 0.293 313 Y C 2.729 178.691 175.900 0.102 0.000 1.129 313 Y CA 0.409 58.568 58.100 0.099 0.000 1.201 313 Y CB -0.400 38.129 38.460 0.115 0.000 0.999 313 Y HN 0.088 nan 8.280 nan 0.000 0.541 314 L N -1.467 119.861 121.223 0.175 0.000 2.072 314 L HA -0.157 4.183 4.340 -0.001 0.000 0.205 314 L C 2.239 179.131 176.870 0.037 0.000 1.079 314 L CA 0.659 55.565 54.840 0.109 0.000 0.752 314 L CB -0.624 41.479 42.059 0.073 0.000 0.906 314 L HN 0.040 nan 8.230 nan 0.000 0.436 315 V N 0.025 119.937 119.914 -0.003 0.000 2.307 315 V HA -0.277 3.843 4.120 -0.001 0.000 0.245 315 V C 2.776 178.811 176.094 -0.098 0.000 1.045 315 V CA 1.716 63.986 62.300 -0.051 0.000 1.024 315 V CB -0.959 30.826 31.823 -0.062 0.000 0.651 315 V HN 0.470 nan 8.190 nan 0.000 0.449 316 A N 0.745 123.493 122.820 -0.120 0.000 1.903 316 A HA -0.381 3.938 4.320 -0.001 0.000 0.219 316 A C 2.070 179.412 177.584 -0.403 0.000 1.191 316 A CA 2.780 54.668 52.037 -0.248 0.000 0.638 316 A CB -1.030 17.835 19.000 -0.225 0.000 0.823 316 A HN 0.652 nan 8.150 nan 0.000 0.451 317 N N -0.280 118.256 118.700 -0.274 0.000 2.120 317 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 317 N C 1.466 176.855 175.510 -0.202 0.000 1.024 317 N CA 1.983 54.860 53.050 -0.288 0.000 0.852 317 N CB -0.352 38.191 38.487 0.094 0.000 1.003 317 N HN 0.513 nan 8.380 nan 0.000 0.424 318 D N -0.818 119.510 120.400 -0.121 0.000 2.084 318 D HA -0.096 4.544 4.640 -0.001 0.000 0.194 318 D C 1.776 178.005 176.300 -0.117 0.000 0.990 318 D CA 0.863 54.809 54.000 -0.090 0.000 0.826 318 D CB -0.222 40.542 40.800 -0.059 0.000 0.971 318 D HN 0.139 nan 8.370 nan 0.000 0.453 319 L N 0.346 121.484 121.223 -0.141 0.000 2.083 319 L HA -0.049 4.291 4.340 -0.001 0.000 0.209 319 L C 2.413 179.192 176.870 -0.151 0.000 1.083 319 L CA 1.124 55.882 54.840 -0.137 0.000 0.752 319 L CB -0.922 41.053 42.059 -0.140 0.000 0.899 319 L HN 0.242 nan 8.230 nan 0.000 0.433 320 L N -1.421 119.665 121.223 -0.228 0.000 1.989 320 L HA -0.260 4.079 4.340 -0.001 0.000 0.211 320 L C 2.397 179.181 176.870 -0.144 0.000 1.071 320 L CA 1.744 56.452 54.840 -0.220 0.000 0.749 320 L CB -0.920 40.894 42.059 -0.409 0.000 0.890 320 L HN 0.249 nan 8.230 nan 0.000 0.431 321 T N -0.591 113.873 114.554 -0.150 0.000 2.720 321 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 321 T C 1.927 176.596 174.700 -0.051 0.000 1.037 321 T CA 1.377 63.426 62.100 -0.085 0.000 1.144 321 T CB -0.099 68.729 68.868 -0.067 0.000 0.864 321 T HN 0.252 nan 8.240 nan 0.000 0.444 322 K N 0.799 121.161 120.400 -0.064 0.000 2.057 322 K HA -0.021 4.299 4.320 -0.001 0.000 0.207 322 K C 2.808 179.368 176.600 -0.067 0.000 1.049 322 K CA 1.261 57.514 56.287 -0.057 0.000 0.931 322 K CB -0.161 32.298 32.500 -0.067 0.000 0.714 322 K HN 0.126 nan 8.250 nan 0.000 0.440 323 S N 0.304 115.966 115.700 -0.064 0.000 2.359 323 S HA -0.148 4.321 4.470 -0.001 0.000 0.224 323 S C 1.989 176.604 174.600 0.025 0.000 1.035 323 S CA 1.750 59.927 58.200 -0.038 0.000 1.018 323 S CB -0.376 62.858 63.200 0.057 0.000 0.876 323 S HN 0.349 nan 8.310 nan 0.000 0.448 324 T N 2.257 116.823 114.554 0.020 0.000 2.699 324 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 324 T C 1.441 176.058 174.700 -0.138 0.000 1.036 324 T CA 1.546 63.608 62.100 -0.063 0.000 1.147 324 T CB -0.533 68.280 68.868 -0.092 0.000 0.862 324 T HN 0.331 nan 8.240 nan 0.000 0.446 325 D N 0.901 121.279 120.400 -0.037 0.000 2.084 325 D HA -0.017 4.623 4.640 -0.001 0.000 0.196 325 D C 2.190 178.492 176.300 0.003 0.000 0.985 325 D CA 1.056 55.074 54.000 0.030 0.000 0.826 325 D CB -0.358 40.461 40.800 0.032 0.000 0.978 325 D HN 0.400 nan 8.370 nan 0.000 0.456 326 M N -0.413 119.142 119.600 -0.075 0.000 2.082 326 M HA -0.211 4.268 4.480 -0.001 0.000 0.258 326 M C 2.292 178.486 176.300 -0.176 0.000 1.069 326 M CA 1.480 56.691 55.300 -0.148 0.000 1.102 326 M CB -0.686 31.762 32.600 -0.253 0.000 1.336 326 M HN 0.080 nan 8.290 nan 0.000 0.404 327 Y N -0.307 119.968 120.300 -0.041 0.000 2.128 327 Y HA -0.296 4.253 4.550 -0.002 0.000 0.284 327 Y C 2.720 178.619 175.900 -0.002 0.000 1.154 327 Y CA 1.390 59.465 58.100 -0.042 0.000 1.149 327 Y CB -0.651 37.760 38.460 -0.082 0.000 0.976 327 Y HN 0.274 nan 8.280 nan 0.000 0.505 328 H N -0.730 118.429 119.070 0.147 0.000 2.352 328 H HA -0.150 4.407 4.556 0.003 0.000 0.299 328 H C 2.394 177.753 175.328 0.052 0.000 1.097 328 H CA 1.589 57.689 56.048 0.087 0.000 1.311 328 H CB -0.600 29.199 29.762 0.062 0.000 1.377 328 H HN 0.261 nan 8.280 nan 0.000 0.504 329 S N 0.495 116.284 115.700 0.148 0.000 2.368 329 S HA -0.068 4.402 4.470 -0.001 0.000 0.224 329 S C 2.549 177.182 174.600 0.055 0.000 1.029 329 S CA 0.672 58.916 58.200 0.074 0.000 0.988 329 S CB -0.315 62.906 63.200 0.036 0.000 0.838 329 S HN 0.234 nan 8.310 nan 0.000 0.462 330 L N 1.059 122.314 121.223 0.053 0.000 2.046 330 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 330 L C 2.225 179.134 176.870 0.065 0.000 1.077 330 L CA 1.110 55.982 54.840 0.054 0.000 0.747 330 L CB -0.599 41.500 42.059 0.066 0.000 0.896 330 L HN 0.285 nan 8.230 nan 0.000 0.432 331 L N -0.726 120.560 121.223 0.105 0.000 2.201 331 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 331 L C 1.782 178.681 176.870 0.049 0.000 1.105 331 L CA 0.441 55.332 54.840 0.086 0.000 0.775 331 L CB -0.423 41.711 42.059 0.125 0.000 0.913 331 L HN 0.346 nan 8.230 nan 0.000 0.440 336 V N 1.970 121.640 119.914 -0.408 0.000 3.049 336 V HA 0.787 4.907 4.120 -0.001 0.000 0.309 336 V C -1.298 174.746 176.094 -0.083 0.000 1.148 336 V CA -0.667 61.505 62.300 -0.213 0.000 0.990 336 V CB 2.277 34.054 31.823 -0.077 0.000 1.039 336 V HN 1.299 nan 8.190 nan 0.000 0.430 337 D N 0.455 120.901 120.400 0.076 0.000 2.553 337 D HA 0.407 5.046 4.640 -0.001 0.000 0.249 337 D C 0.143 176.463 176.300 0.034 0.000 1.062 337 D CA -0.614 53.441 54.000 0.092 0.000 1.085 337 D CB 0.981 41.889 40.800 0.180 0.000 1.350 337 D HN 0.262 nan 8.370 nan 0.000 0.575 338 D N -0.854 119.546 120.400 0.001 0.000 2.183 338 D HA 0.005 4.645 4.640 -0.001 0.000 0.203 338 D C -1.000 175.249 176.300 -0.086 0.000 0.969 338 D CA 0.834 54.804 54.000 -0.050 0.000 0.842 338 D CB -1.254 39.510 40.800 -0.060 0.000 0.957 338 D HN 0.333 nan 8.370 nan 0.000 0.484 339 P HA -0.098 nan 4.420 nan 0.000 0.215 339 P C 1.905 179.171 177.300 -0.056 0.000 1.153 339 P CA 0.612 63.659 63.100 -0.088 0.000 0.853 339 P CB 0.096 31.742 31.700 -0.090 0.000 0.788 340 L N -0.501 120.731 121.223 0.016 0.000 2.017 340 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 340 L C 2.484 179.353 176.870 -0.001 0.000 1.073 340 L CA 1.757 56.655 54.840 0.096 0.000 0.745 340 L CB -0.333 41.834 42.059 0.180 0.000 0.894 340 L HN -0.179 nan 8.230 nan 0.000 0.432 341 R N -0.235 120.247 120.500 -0.029 0.000 2.117 341 R HA -0.214 4.126 4.340 -0.001 0.000 0.243 341 R C 2.077 178.297 176.300 -0.132 0.000 1.143 341 R CA 1.994 58.052 56.100 -0.071 0.000 0.968 341 R CB -0.411 29.860 30.300 -0.047 0.000 0.863 341 R HN 0.577 nan 8.270 nan 0.000 0.444 342 E N 0.091 120.183 120.200 -0.180 0.000 2.107 342 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 342 E C 1.723 178.225 176.600 -0.163 0.000 0.982 342 E CA 0.551 56.820 56.400 -0.219 0.000 0.809 342 E CB -0.026 29.448 29.700 -0.376 0.000 0.756 342 E HN 0.284 nan 8.360 nan 0.000 0.459 343 N N 1.156 119.736 118.700 -0.200 0.000 2.104 343 N HA -0.156 4.584 4.740 -0.001 0.000 0.190 343 N C 1.730 176.843 175.510 -0.663 0.000 1.024 343 N CA 1.431 54.319 53.050 -0.269 0.000 0.853 343 N CB -0.381 38.052 38.487 -0.089 0.000 1.008 343 N HN 0.143 nan 8.380 nan 0.000 0.424 344 A N 0.760 123.061 122.820 -0.866 0.000 1.902 344 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 344 A C 2.337 179.673 177.584 -0.413 0.000 1.181 344 A CA 1.926 53.363 52.037 -0.999 0.000 0.623 344 A CB -0.853 17.839 19.000 -0.513 0.000 0.818 344 A HN 0.320 nan 8.150 nan 0.000 0.443 345 A N -0.669 122.020 122.820 -0.219 0.000 1.933 345 A HA -0.014 4.306 4.320 -0.001 0.000 0.218 345 A C 2.112 179.658 177.584 -0.064 0.000 1.175 345 A CA 1.702 53.682 52.037 -0.094 0.000 0.628 345 A CB -0.538 18.460 19.000 -0.003 0.000 0.814 345 A HN 0.614 nan 8.150 nan 0.000 0.444 346 L N -0.298 120.891 121.223 -0.057 0.000 2.027 346 L HA -0.016 4.323 4.340 -0.001 0.000 0.206 346 L C 2.698 179.630 176.870 0.104 0.000 1.074 346 L CA 2.130 57.001 54.840 0.052 0.000 0.745 346 L CB -0.876 41.218 42.059 0.060 0.000 0.898 346 L HN 0.334 nan 8.230 nan 0.000 0.433 347 A N -0.477 122.328 122.820 -0.025 0.000 1.877 347 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 347 A C 2.276 179.885 177.584 0.043 0.000 1.186 347 A CA 2.067 54.125 52.037 0.035 0.000 0.620 347 A CB -0.979 18.072 19.000 0.086 0.000 0.822 347 A HN 0.488 nan 8.150 nan 0.000 0.443 348 L N -0.912 120.298 121.223 -0.020 0.000 2.042 348 L HA -0.265 4.075 4.340 -0.001 0.000 0.210 348 L C 2.856 179.752 176.870 0.044 0.000 1.076 348 L CA 1.495 56.334 54.840 -0.001 0.000 0.749 348 L CB -0.791 41.251 42.059 -0.028 0.000 0.893 348 L HN 0.683 nan 8.230 nan 0.000 0.432 349 C N -0.613 118.714 119.300 0.045 0.000 2.393 349 C HA -0.269 4.191 4.460 -0.001 0.000 0.276 349 C C 2.749 177.811 174.990 0.120 0.000 1.215 349 C CA 0.992 60.047 59.018 0.061 0.000 1.743 349 C CB -0.756 26.980 27.740 -0.006 0.000 2.044 349 C HN 0.490 nan 8.230 nan 0.000 0.464 350 Y N 0.891 121.280 120.300 0.149 0.000 2.263 350 Y HA -0.071 4.478 4.550 -0.001 0.000 0.292 350 Y C 2.849 178.815 175.900 0.110 0.000 1.130 350 Y CA 2.066 60.267 58.100 0.169 0.000 1.179 350 Y CB -0.548 37.973 38.460 0.102 0.000 0.998 350 Y HN 0.329 nan 8.280 nan 0.000 0.532 351 T N -0.854 113.784 114.554 0.139 0.000 2.746 351 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 351 T C 2.234 176.961 174.700 0.045 0.000 1.039 351 T CA 1.319 63.421 62.100 0.003 0.000 1.142 351 T CB -0.950 67.892 68.868 -0.043 0.000 0.866 351 T HN 0.578 nan 8.240 nan 0.000 0.444 352 G N 1.534 110.395 108.800 0.100 0.000 2.491 352 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.218 352 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.218 352 G C 1.516 176.467 174.900 0.084 0.000 1.180 352 G CA 0.823 45.996 45.100 0.122 0.000 0.774 352 G HN 0.426 nan 8.290 nan 0.000 0.562 353 I N -0.153 120.395 120.570 -0.038 0.000 2.394 353 I HA 0.045 4.214 4.170 -0.001 0.000 0.251 353 I C 2.340 178.406 176.117 -0.085 0.000 1.136 353 I CA 0.171 61.308 61.300 -0.272 0.000 1.425 353 I CB -0.444 36.914 38.000 -1.070 0.000 1.079 353 I HN 0.118 nan 8.210 nan 0.000 0.425 354 F N 0.340 120.229 119.950 -0.101 0.000 2.126 354 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 354 F C 2.686 178.435 175.800 -0.085 0.000 1.096 354 F CA 1.808 59.752 58.000 -0.094 0.000 1.255 354 F CB -0.981 37.955 39.000 -0.106 0.000 0.997 354 F HN 0.225 nan 8.300 nan 0.000 0.479 355 H N -1.285 117.867 119.070 0.135 0.000 2.319 355 H HA -0.208 4.348 4.556 -0.001 0.000 0.299 355 H C 2.225 177.550 175.328 -0.005 0.000 1.092 355 H CA 1.730 57.813 56.048 0.059 0.000 1.302 355 H CB -1.213 28.590 29.762 0.069 0.000 1.373 355 H HN 0.277 nan 8.280 nan 0.000 0.497 356 F N 1.569 121.521 119.950 0.004 0.000 2.063 356 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 356 F C 2.381 178.075 175.800 -0.177 0.000 1.109 356 F CA 1.355 59.293 58.000 -0.103 0.000 1.212 356 F CB -0.800 38.088 39.000 -0.186 0.000 0.973 356 F HN 0.009 nan 8.300 nan 0.000 0.480 357 L N 0.033 121.035 121.223 -0.368 0.000 2.127 357 L HA -0.242 4.098 4.340 -0.001 0.000 0.211 357 L C 2.223 178.876 176.870 -0.362 0.000 1.089 357 L CA 1.663 56.201 54.840 -0.503 0.000 0.757 357 L CB -0.685 41.033 42.059 -0.567 0.000 0.899 357 L HN 0.135 nan 8.230 nan 0.000 0.434 358 K N -0.384 119.890 120.400 -0.210 0.000 2.459 358 K HA -0.008 4.311 4.320 -0.001 0.000 0.193 358 K C 0.495 177.020 176.600 -0.125 0.000 1.030 358 K CA 0.184 56.403 56.287 -0.113 0.000 1.026 358 K CB -0.015 32.495 32.500 0.017 0.000 0.809 358 K HN 0.300 nan 8.250 nan 0.000 0.504 359 N N 1.285 119.860 118.700 -0.208 0.000 2.869 359 N HA -0.148 4.592 4.740 -0.001 0.000 0.249 359 N C -1.425 174.028 175.510 -0.094 0.000 1.104 359 N CA 0.072 53.004 53.050 -0.197 0.000 0.760 359 N CB -1.264 37.119 38.487 -0.173 0.000 1.108 359 N HN 0.314 nan 8.380 nan 0.000 0.555 360 N N 1.417 120.089 118.700 -0.046 0.000 3.083 360 N HA 0.224 4.963 4.740 -0.001 0.000 0.260 360 N C 1.307 176.795 175.510 -0.037 0.000 1.163 360 N CA -0.427 52.588 53.050 -0.057 0.000 1.060 360 N CB 0.542 38.956 38.487 -0.121 0.000 1.345 360 N HN 0.242 nan 8.380 nan 0.000 0.515 361 L N 0.264 121.482 121.223 -0.009 0.000 2.093 361 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 361 L C 2.033 178.925 176.870 0.038 0.000 1.085 361 L CA 0.800 55.672 54.840 0.053 0.000 0.755 361 L CB -0.202 41.900 42.059 0.072 0.000 0.904 361 L HN 0.467 nan 8.230 nan 0.000 0.435 362 L N 0.024 121.245 121.223 -0.004 0.000 2.027 362 L HA -0.167 4.172 4.340 -0.001 0.000 0.206 362 L C 2.084 178.934 176.870 -0.034 0.000 1.074 362 L CA 1.838 56.671 54.840 -0.011 0.000 0.745 362 L CB -0.719 41.327 42.059 -0.022 0.000 0.898 362 L HN 0.155 nan 8.230 nan 0.000 0.433 363 D N 0.121 120.455 120.400 -0.110 0.000 2.106 363 D HA -0.229 4.411 4.640 -0.001 0.000 0.191 363 D C 2.189 178.480 176.300 -0.017 0.000 0.997 363 D CA 1.760 55.642 54.000 -0.197 0.000 0.834 363 D CB -0.351 40.026 40.800 -0.704 0.000 0.956 363 D HN 0.488 nan 8.370 nan 0.000 0.448 364 A N 0.790 123.646 122.820 0.060 0.000 1.865 364 A HA -0.288 4.032 4.320 -0.001 0.000 0.217 364 A C 2.179 179.809 177.584 0.077 0.000 1.191 364 A CA 2.269 54.397 52.037 0.151 0.000 0.623 364 A CB -0.888 18.226 19.000 0.190 0.000 0.826 364 A HN 0.321 nan 8.150 nan 0.000 0.444 365 Q N -0.308 119.519 119.800 0.046 0.000 2.050 365 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 365 Q C 1.988 177.996 176.000 0.012 0.000 0.980 365 Q CA 2.155 57.966 55.803 0.013 0.000 0.840 365 Q CB -0.326 28.425 28.738 0.021 0.000 0.898 365 Q HN 0.379 nan 8.270 nan 0.000 0.424 366 V N 1.270 121.199 119.914 0.025 0.000 2.250 366 V HA -0.336 3.783 4.120 -0.001 0.000 0.250 366 V C 2.350 178.476 176.094 0.053 0.000 1.060 366 V CA 2.087 64.406 62.300 0.033 0.000 1.030 366 V CB -0.583 31.260 31.823 0.033 0.000 0.643 366 V HN 0.429 nan 8.190 nan 0.000 0.445 367 L N -1.401 119.871 121.223 0.082 0.000 2.179 367 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 367 L C 2.309 179.199 176.870 0.033 0.000 1.096 367 L CA 0.925 55.823 54.840 0.097 0.000 0.779 367 L CB -0.399 41.744 42.059 0.140 0.000 0.922 367 L HN 0.290 nan 8.230 nan 0.000 0.443 368 L N -0.600 120.623 121.223 0.000 0.000 2.072 368 L HA -0.181 4.158 4.340 -0.001 0.000 0.205 368 L C 2.690 179.481 176.870 -0.133 0.000 1.079 368 L CA 0.803 55.598 54.840 -0.076 0.000 0.752 368 L CB -0.318 41.685 42.059 -0.095 0.000 0.906 368 L HN 0.250 nan 8.230 nan 0.000 0.436 369 Q N 0.781 120.527 119.800 -0.091 0.000 2.030 369 Q HA -0.257 4.083 4.340 -0.001 0.000 0.204 369 Q C 1.953 177.921 176.000 -0.053 0.000 0.986 369 Q CA 1.930 57.686 55.803 -0.078 0.000 0.843 369 Q CB -0.129 28.591 28.738 -0.030 0.000 0.904 369 Q HN 0.406 nan 8.270 nan 0.000 0.420 370 E N -0.625 119.569 120.200 -0.010 0.000 2.097 370 E HA -0.242 4.108 4.350 -0.001 0.000 0.196 370 E C 2.005 178.594 176.600 -0.018 0.000 1.000 370 E CA 1.320 57.730 56.400 0.016 0.000 0.804 370 E CB -0.312 29.441 29.700 0.089 0.000 0.740 370 E HN 0.361 nan 8.360 nan 0.000 0.454 371 S N 0.484 116.154 115.700 -0.050 0.000 2.356 371 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 371 S C 2.026 176.547 174.600 -0.132 0.000 1.032 371 S CA 1.000 59.150 58.200 -0.084 0.000 1.005 371 S CB -0.253 62.888 63.200 -0.098 0.000 0.867 371 S HN 0.193 nan 8.310 nan 0.000 0.449 372 I N 2.247 122.695 120.570 -0.205 0.000 2.194 372 I HA -0.252 3.918 4.170 -0.001 0.000 0.246 372 I C 2.173 178.219 176.117 -0.118 0.000 1.093 372 I CA 1.415 62.565 61.300 -0.251 0.000 1.355 372 I CB -0.548 37.237 38.000 -0.358 0.000 1.046 372 I HN 0.334 nan 8.210 nan 0.000 0.413 373 N N 0.566 119.227 118.700 -0.065 0.000 2.223 373 N HA -0.133 4.607 4.740 -0.001 0.000 0.185 373 N C 1.816 177.323 175.510 -0.005 0.000 1.016 373 N CA 1.324 54.361 53.050 -0.021 0.000 0.863 373 N CB -0.275 38.209 38.487 -0.004 0.000 0.983 373 N HN 0.361 nan 8.380 nan 0.000 0.429 374 L N -1.760 119.459 121.223 -0.007 0.000 2.221 374 L HA 0.068 4.408 4.340 -0.001 0.000 0.202 374 L C 0.127 177.045 176.870 0.080 0.000 1.074 374 L CA 0.552 55.405 54.840 0.021 0.000 0.795 374 L CB 0.143 42.205 42.059 0.005 0.000 0.960 374 L HN 0.191 nan 8.230 nan 0.000 0.458 375 H N -0.853 118.170 119.070 -0.078 0.000 3.124 375 H HA 0.240 4.794 4.556 -0.002 0.000 0.328 375 H C -2.773 172.492 175.328 -0.105 0.000 1.478 375 H CA -1.939 54.062 56.048 -0.078 0.000 1.627 375 H CB 0.658 30.370 29.762 -0.082 0.000 2.050 375 H HN -0.215 nan 8.280 nan 0.000 0.641 376 P HA 0.154 nan 4.420 nan 0.000 0.264 376 P C -0.460 176.569 177.300 -0.453 0.000 1.193 376 P CA 0.365 63.276 63.100 -0.315 0.000 0.763 376 P CB 0.807 32.464 31.700 -0.072 0.000 0.810 377 T N -0.067 114.254 114.554 -0.388 0.000 2.883 377 T HA 0.475 4.825 4.350 -0.001 0.000 0.301 377 T C -2.457 172.079 174.700 -0.272 0.000 1.158 377 T CA -2.276 59.608 62.100 -0.361 0.000 1.007 377 T CB 1.707 70.351 68.868 -0.373 0.000 1.186 377 T HN -0.057 nan 8.240 nan 0.000 0.499 378 P HA -0.059 nan 4.420 nan 0.000 0.216 378 P C 1.358 178.438 177.300 -0.367 0.000 1.150 378 P CA 0.922 63.867 63.100 -0.259 0.000 0.837 378 P CB 0.004 31.535 31.700 -0.282 0.000 0.786 379 N N -0.441 117.968 118.700 -0.485 0.000 2.069 379 N HA -0.140 4.600 4.740 -0.001 0.000 0.191 379 N C 1.867 176.795 175.510 -0.969 0.000 1.031 379 N CA 1.968 54.511 53.050 -0.846 0.000 0.852 379 N CB -1.052 36.933 38.487 -0.836 0.000 1.018 379 N HN 0.232 nan 8.380 nan 0.000 0.423 380 S N -0.008 115.327 115.700 -0.608 0.000 2.370 380 S HA -0.176 4.293 4.470 -0.001 0.000 0.226 380 S C 2.006 176.250 174.600 -0.594 0.000 1.033 380 S CA 0.942 58.832 58.200 -0.516 0.000 1.011 380 S CB -0.790 62.111 63.200 -0.498 0.000 0.852 380 S HN 0.301 nan 8.310 nan 0.000 0.457 381 Y N 1.639 121.644 120.300 -0.492 0.000 2.220 381 Y HA 0.190 4.740 4.550 -0.001 0.000 0.291 381 Y C 2.344 177.781 175.900 -0.772 0.000 1.129 381 Y CA 0.379 58.128 58.100 -0.585 0.000 1.161 381 Y CB -0.574 37.608 38.460 -0.464 0.000 0.997 381 Y HN 0.241 nan 8.280 nan 0.000 0.522 382 I N -1.364 118.808 120.570 -0.664 0.000 2.179 382 I HA -0.336 3.833 4.170 -0.001 0.000 0.242 382 I C 1.886 177.782 176.117 -0.368 0.000 1.088 382 I CA 1.218 62.049 61.300 -0.782 0.000 1.357 382 I CB -0.432 37.209 38.000 -0.599 0.000 1.051 382 I HN 0.073 nan 8.210 nan 0.000 0.409 383 F N 0.115 119.837 119.950 -0.380 0.000 2.146 383 F HA -0.177 4.349 4.527 -0.002 0.000 0.298 383 F C 2.270 177.826 175.800 -0.406 0.000 1.096 383 F CA 1.033 58.827 58.000 -0.344 0.000 1.275 383 F CB -1.174 37.663 39.000 -0.272 0.000 1.008 383 F HN 0.044 nan 8.300 nan 0.000 0.480 384 L N 0.299 121.346 121.223 -0.293 0.000 2.109 384 L HA 0.041 4.381 4.340 -0.001 0.000 0.207 384 L C 2.388 178.964 176.870 -0.489 0.000 1.086 384 L CA 1.647 56.228 54.840 -0.431 0.000 0.760 384 L CB -1.102 40.576 42.059 -0.636 0.000 0.910 384 L HN 0.023 nan 8.230 nan 0.000 0.437 385 A N -0.151 122.331 122.820 -0.564 0.000 1.865 385 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 385 A C 2.257 179.898 177.584 0.094 0.000 1.191 385 A CA 2.236 54.135 52.037 -0.230 0.000 0.623 385 A CB -1.043 17.683 19.000 -0.456 0.000 0.826 385 A HN 0.483 nan 8.150 nan 0.000 0.444 386 L N -0.801 120.438 121.223 0.026 0.000 2.042 386 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 386 L C 2.806 179.586 176.870 -0.150 0.000 1.076 386 L CA 1.898 56.723 54.840 -0.025 0.000 0.749 386 L CB -1.024 40.816 42.059 -0.364 0.000 0.893 386 L HN 0.374 nan 8.230 nan 0.000 0.432 387 T N 0.065 114.468 114.554 -0.252 0.000 2.759 387 T HA -0.133 4.217 4.350 -0.001 0.000 0.269 387 T C 1.633 176.421 174.700 0.147 0.000 1.042 387 T CA 1.157 63.286 62.100 0.048 0.000 1.140 387 T CB -0.117 68.756 68.868 0.009 0.000 0.864 387 T HN 0.224 nan 8.240 nan 0.000 0.455 388 L N 0.507 121.805 121.223 0.125 0.000 2.700 388 L HA 0.425 4.765 4.340 -0.001 0.000 0.234 388 L C 1.058 178.068 176.870 0.234 0.000 1.156 388 L CA -0.678 54.275 54.840 0.187 0.000 0.946 388 L CB -0.320 41.878 42.059 0.232 0.000 1.216 388 L HN 0.087 nan 8.230 nan 0.000 0.493 389 A N 0.620 123.594 122.820 0.256 0.000 2.561 389 A HA 0.106 4.426 4.320 -0.001 0.000 0.234 389 A C -0.161 177.504 177.584 0.135 0.000 1.055 389 A CA 0.499 52.672 52.037 0.226 0.000 0.756 389 A CB 0.046 19.152 19.000 0.178 0.000 0.986 389 A HN 0.242 nan 8.150 nan 0.000 0.505 390 D N 1.178 121.629 120.400 0.086 0.000 2.386 390 D HA 0.118 4.758 4.640 -0.001 0.000 0.247 390 D C 0.968 177.287 176.300 0.032 0.000 1.336 390 D CA -0.462 53.580 54.000 0.069 0.000 0.976 390 D CB 0.901 41.754 40.800 0.090 0.000 1.257 390 D HN 0.600 nan 8.370 nan 0.000 0.570 391 K N 2.437 122.851 120.400 0.022 0.000 2.281 391 K HA -0.208 4.112 4.320 -0.001 0.000 0.203 391 K C 0.999 177.609 176.600 0.016 0.000 1.046 391 K CA 1.172 57.464 56.287 0.009 0.000 0.938 391 K CB 0.315 32.822 32.500 0.011 0.000 0.737 391 K HN 0.167 nan 8.250 nan 0.000 0.458 392 E N 1.380 121.596 120.200 0.026 0.000 2.158 392 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 392 E C -0.286 176.335 176.600 0.034 0.000 0.982 392 E CA 0.601 57.017 56.400 0.027 0.000 0.823 392 E CB 0.278 29.995 29.700 0.028 0.000 0.766 392 E HN 0.357 nan 8.360 nan 0.000 0.468 393 N N -0.912 117.814 118.700 0.045 0.000 2.578 393 N HA 0.007 4.747 4.740 -0.001 0.000 0.282 393 N C -0.561 175.000 175.510 0.085 0.000 1.119 393 N CA 0.460 53.545 53.050 0.059 0.000 0.948 393 N CB 1.193 39.711 38.487 0.052 0.000 1.546 393 N HN 0.002 nan 8.380 nan 0.000 0.525 394 S N 2.295 118.067 115.700 0.119 0.000 2.575 394 S HA 0.011 4.480 4.470 -0.001 0.000 0.215 394 S C 1.186 175.966 174.600 0.299 0.000 0.966 394 S CA 0.149 58.462 58.200 0.188 0.000 0.911 394 S CB 0.220 63.587 63.200 0.277 0.000 0.780 394 S HN 0.475 nan 8.310 nan 0.000 0.514 395 Q N 1.948 121.873 119.800 0.207 0.000 2.084 395 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 395 Q C 2.056 178.140 176.000 0.140 0.000 0.978 395 Q CA 1.846 57.765 55.803 0.193 0.000 0.844 395 Q CB -0.574 28.220 28.738 0.094 0.000 0.898 395 Q HN 0.871 nan 8.270 nan 0.000 0.426 396 E N -0.061 120.175 120.200 0.060 0.000 2.085 396 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 396 E C 1.862 178.422 176.600 -0.067 0.000 0.994 396 E CA 0.718 57.059 56.400 -0.098 0.000 0.801 396 E CB -0.216 29.434 29.700 -0.082 0.000 0.743 396 E HN 0.272 nan 8.360 nan 0.000 0.453 397 F N 0.279 120.223 119.950 -0.010 0.000 2.063 397 F HA -0.280 4.247 4.527 0.000 0.000 0.298 397 F C 1.801 177.560 175.800 -0.068 0.000 1.109 397 F CA 1.881 59.883 58.000 0.004 0.000 1.212 397 F CB -0.326 38.543 39.000 -0.218 0.000 0.973 397 F HN 0.041 nan 8.300 nan 0.000 0.480 398 F N 0.579 120.702 119.950 0.288 0.000 2.234 398 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 398 F C 2.393 178.222 175.800 0.048 0.000 1.087 398 F CA 1.497 59.585 58.000 0.147 0.000 1.340 398 F CB -0.841 38.212 39.000 0.088 0.000 1.031 398 F HN -0.091 nan 8.300 nan 0.000 0.500 399 K N -0.304 120.139 120.400 0.072 0.000 2.026 399 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 399 K C 2.033 178.509 176.600 -0.206 0.000 1.048 399 K CA 1.497 57.720 56.287 -0.106 0.000 0.929 399 K CB -0.310 32.057 32.500 -0.222 0.000 0.713 399 K HN 0.056 nan 8.250 nan 0.000 0.439 400 F N 0.156 120.020 119.950 -0.144 0.000 2.126 400 F HA -0.162 4.363 4.527 -0.003 0.000 0.299 400 F C 1.981 177.514 175.800 -0.444 0.000 1.096 400 F CA 1.206 59.015 58.000 -0.319 0.000 1.255 400 F CB -0.774 38.055 39.000 -0.285 0.000 0.997 400 F HN -0.006 nan 8.300 nan 0.000 0.479 401 F N -0.093 119.740 119.950 -0.194 0.000 2.269 401 F HA -0.224 4.303 4.527 0.001 0.000 0.301 401 F C 2.526 178.236 175.800 -0.150 0.000 1.082 401 F CA 1.394 59.264 58.000 -0.217 0.000 1.360 401 F CB -0.653 38.183 39.000 -0.273 0.000 1.041 401 F HN -0.024 nan 8.300 nan 0.000 0.512 402 Q N 0.962 120.771 119.800 0.016 0.000 2.083 402 Q HA -0.139 4.201 4.340 -0.001 0.000 0.198 402 Q C 1.966 177.886 176.000 -0.134 0.000 0.969 402 Q CA 1.656 57.446 55.803 -0.022 0.000 0.838 402 Q CB -0.214 28.523 28.738 -0.003 0.000 0.900 402 Q HN 0.250 nan 8.270 nan 0.000 0.436 403 K N -0.286 119.948 120.400 -0.278 0.000 2.063 403 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 403 K C 2.016 178.373 176.600 -0.405 0.000 1.048 403 K CA 1.189 57.204 56.287 -0.453 0.000 0.928 403 K CB -0.269 31.681 32.500 -0.916 0.000 0.713 403 K HN 0.270 nan 8.250 nan 0.000 0.442 404 A N 1.283 123.876 122.820 -0.378 0.000 1.873 404 A HA -0.112 4.208 4.320 -0.001 0.000 0.215 404 A C 2.450 179.955 177.584 -0.131 0.000 1.186 404 A CA 1.315 53.218 52.037 -0.224 0.000 0.616 404 A CB -0.712 18.096 19.000 -0.321 0.000 0.823 404 A HN 0.054 nan 8.150 nan 0.000 0.442 405 V N 1.035 120.880 119.914 -0.114 0.000 2.252 405 V HA -0.320 3.800 4.120 -0.001 0.000 0.249 405 V C 2.240 178.334 176.094 -0.000 0.000 1.056 405 V CA 2.500 64.772 62.300 -0.046 0.000 1.022 405 V CB -0.946 30.873 31.823 -0.007 0.000 0.641 405 V HN 0.542 nan 8.190 nan 0.000 0.445 406 D N -0.045 120.338 120.400 -0.030 0.000 2.158 406 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 406 D C 2.072 178.363 176.300 -0.015 0.000 0.995 406 D CA 1.281 55.270 54.000 -0.019 0.000 0.846 406 D CB -0.370 40.401 40.800 -0.047 0.000 0.941 406 D HN 0.368 nan 8.370 nan 0.000 0.456 407 L N -0.646 120.553 121.223 -0.039 0.000 2.141 407 L HA -0.087 4.252 4.340 -0.001 0.000 0.209 407 L C 0.739 177.598 176.870 -0.019 0.000 1.094 407 L CA 0.710 55.528 54.840 -0.035 0.000 0.763 407 L CB -0.034 41.991 42.059 -0.056 0.000 0.908 407 L HN -0.003 nan 8.230 nan 0.000 0.437 408 N N -1.645 117.061 118.700 0.010 0.000 2.875 408 N HA 0.131 4.871 4.740 -0.001 0.000 0.253 408 N C -2.374 173.224 175.510 0.148 0.000 1.296 408 N CA -1.025 52.065 53.050 0.067 0.000 0.816 408 N CB 1.263 39.777 38.487 0.045 0.000 1.504 408 N HN -0.289 nan 8.380 nan 0.000 0.582 409 P HA 0.036 nan 4.420 nan 0.000 0.230 409 P C 0.140 177.647 177.300 0.344 0.000 1.158 409 P CA 1.022 64.271 63.100 0.248 0.000 0.769 409 P CB 0.397 32.201 31.700 0.174 0.000 0.807 410 E N -2.375 117.989 120.200 0.274 0.000 2.444 410 E HA 0.015 4.365 4.350 -0.001 0.000 0.191 410 E C -0.287 176.516 176.600 0.339 0.000 1.041 410 E CA -0.333 56.219 56.400 0.254 0.000 0.883 410 E CB -0.102 29.703 29.700 0.175 0.000 1.024 410 E HN 0.331 nan 8.360 nan 0.000 0.470 411 Y N 1.731 122.184 120.300 0.254 0.000 2.425 411 Y HA 0.139 4.689 4.550 0.000 0.000 0.347 411 Y C -1.843 174.231 175.900 0.290 0.000 0.976 411 Y CA -2.673 55.549 58.100 0.204 0.000 1.190 411 Y CB 1.029 39.560 38.460 0.118 0.000 1.136 411 Y HN -0.014 nan 8.280 nan 0.000 0.517 412 P HA -0.066 nan 4.420 nan 0.000 0.216 412 P C -1.516 175.771 177.300 -0.022 0.000 1.153 412 P CA 1.265 64.384 63.100 0.032 0.000 0.848 412 P CB -0.629 31.052 31.700 -0.030 0.000 0.787 413 P HA -0.113 nan 4.420 nan 0.000 0.222 413 P C 1.403 178.853 177.300 0.249 0.000 1.142 413 P CA 1.701 64.739 63.100 -0.104 0.000 0.788 413 P CB -0.738 30.795 31.700 -0.279 0.000 0.767 414 T N -2.085 112.568 114.554 0.164 0.000 2.777 414 T HA -0.139 4.211 4.350 -0.001 0.000 0.266 414 T C 1.310 176.088 174.700 0.129 0.000 1.040 414 T CA 1.401 63.598 62.100 0.162 0.000 1.141 414 T CB -0.777 68.046 68.868 -0.076 0.000 0.868 414 T HN 0.135 nan 8.240 nan 0.000 0.444 415 Y N -0.540 119.914 120.300 0.257 0.000 2.286 415 Y HA 0.086 4.637 4.550 0.000 0.000 0.293 415 Y C 2.209 178.192 175.900 0.138 0.000 1.124 415 Y CA 0.112 58.318 58.100 0.177 0.000 1.178 415 Y CB -0.602 37.939 38.460 0.136 0.000 1.010 415 Y HN 0.205 nan 8.280 nan 0.000 0.536 416 Y N 0.151 120.590 120.300 0.232 0.000 2.128 416 Y HA -0.304 4.245 4.550 -0.001 0.000 0.284 416 Y C 2.600 178.554 175.900 0.090 0.000 1.154 416 Y CA 1.954 60.173 58.100 0.198 0.000 1.149 416 Y CB -0.560 37.926 38.460 0.043 0.000 0.976 416 Y HN 0.171 nan 8.280 nan 0.000 0.505 417 H N -0.382 118.796 119.070 0.179 0.000 2.389 417 H HA -0.107 4.449 4.556 0.000 0.000 0.299 417 H C 2.427 177.638 175.328 -0.195 0.000 1.081 417 H CA 1.713 57.812 56.048 0.084 0.000 1.345 417 H CB -0.144 29.840 29.762 0.370 0.000 1.393 417 H HN 0.333 nan 8.280 nan 0.000 0.520 418 R N 0.515 120.850 120.500 -0.275 0.000 2.096 418 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 418 R C 2.540 178.677 176.300 -0.272 0.000 1.127 418 R CA 1.220 57.007 56.100 -0.521 0.000 0.968 418 R CB -0.323 29.748 30.300 -0.381 0.000 0.861 418 R HN 0.286 nan 8.270 nan 0.000 0.440 419 G N 0.110 108.730 108.800 -0.301 0.000 2.408 419 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 419 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 419 G C 1.199 175.830 174.900 -0.449 0.000 1.150 419 G CA 0.284 44.987 45.100 -0.661 0.000 0.776 419 G HN 0.359 nan 8.290 nan 0.000 0.542 420 Q N -0.842 118.842 119.800 -0.194 0.000 2.061 420 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 420 Q C 2.516 178.552 176.000 0.060 0.000 0.984 420 Q CA 1.591 57.453 55.803 0.098 0.000 0.846 420 Q CB -0.298 28.409 28.738 -0.052 0.000 0.902 420 Q HN 0.453 nan 8.270 nan 0.000 0.421 421 M N -0.121 119.405 119.600 -0.124 0.000 2.065 421 M HA -0.206 4.274 4.480 -0.001 0.000 0.259 421 M C 1.661 177.927 176.300 -0.057 0.000 1.069 421 M CA 1.714 56.849 55.300 -0.275 0.000 1.110 421 M CB -0.684 31.429 32.600 -0.811 0.000 1.328 421 M HN 0.137 nan 8.290 nan 0.000 0.405 422 Y N -0.968 119.360 120.300 0.045 0.000 2.193 422 Y HA -0.256 4.294 4.550 0.000 0.000 0.285 422 Y C 2.344 178.313 175.900 0.114 0.000 1.166 422 Y CA 1.976 60.105 58.100 0.049 0.000 1.181 422 Y CB -1.112 37.316 38.460 -0.054 0.000 0.976 422 Y HN 0.314 nan 8.280 nan 0.000 0.520 423 F N -0.666 119.384 119.950 0.168 0.000 2.075 423 F HA -0.289 4.238 4.527 -0.001 0.000 0.297 423 F C 2.086 177.996 175.800 0.183 0.000 1.113 423 F CA 0.565 58.717 58.000 0.253 0.000 1.218 423 F CB -0.132 39.061 39.000 0.321 0.000 0.984 423 F HN -0.024 nan 8.300 nan 0.000 0.472 424 I N 0.910 121.658 120.570 0.297 0.000 2.264 424 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 424 I C 1.976 178.150 176.117 0.096 0.000 1.111 424 I CA 1.499 62.866 61.300 0.113 0.000 1.382 424 I CB -1.210 36.797 38.000 0.012 0.000 1.060 424 I HN 0.184 nan 8.210 nan 0.000 0.418 425 L N 0.049 121.328 121.223 0.094 0.000 2.627 425 L HA -0.022 4.318 4.340 -0.001 0.000 0.233 425 L C 0.875 177.738 176.870 -0.012 0.000 1.144 425 L CA 0.159 55.028 54.840 0.048 0.000 0.892 425 L CB -0.564 41.539 42.059 0.073 0.000 1.039 425 L HN 0.359 nan 8.230 nan 0.000 0.442 426 Q N -0.838 118.951 119.800 -0.018 0.000 2.450 426 Q HA -0.273 4.066 4.340 -0.001 0.000 0.255 426 Q C 0.148 175.767 176.000 -0.635 0.000 1.003 426 Q CA 0.961 56.494 55.803 -0.450 0.000 1.097 426 Q CB -1.350 27.137 28.738 -0.418 0.000 1.544 426 Q HN 0.392 nan 8.270 nan 0.000 0.531 427 D N -0.451 119.817 120.400 -0.220 0.000 2.517 427 D HA 0.052 4.691 4.640 -0.001 0.000 0.220 427 D C 0.242 176.438 176.300 -0.173 0.000 1.158 427 D CA -0.073 53.811 54.000 -0.193 0.000 0.992 427 D CB 0.029 40.803 40.800 -0.044 0.000 1.058 427 D HN 0.152 nan 8.370 nan 0.000 0.516 428 Y N 1.974 122.220 120.300 -0.089 0.000 2.314 428 Y HA -0.076 4.474 4.550 -0.000 0.000 0.293 428 Y C 2.420 178.197 175.900 -0.205 0.000 1.129 428 Y CA 0.608 58.611 58.100 -0.161 0.000 1.201 428 Y CB -0.322 38.059 38.460 -0.131 0.000 0.999 428 Y HN 0.323 nan 8.280 nan 0.000 0.541 429 K N 0.911 121.273 120.400 -0.064 0.000 2.009 429 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 429 K C 1.474 177.932 176.600 -0.236 0.000 1.049 429 K CA 2.150 58.359 56.287 -0.130 0.000 0.929 429 K CB -0.447 31.974 32.500 -0.132 0.000 0.714 429 K HN 0.392 nan 8.250 nan 0.000 0.440 430 N N 0.188 118.643 118.700 -0.408 0.000 2.188 430 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 430 N C 1.821 177.005 175.510 -0.543 0.000 1.018 430 N CA 0.951 53.587 53.050 -0.690 0.000 0.858 430 N CB -0.131 37.426 38.487 -1.551 0.000 0.989 430 N HN 0.330 nan 8.380 nan 0.000 0.426 431 A N 1.669 124.281 122.820 -0.346 0.000 1.883 431 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 431 A C 2.047 179.410 177.584 -0.367 0.000 1.186 431 A CA 1.514 53.356 52.037 -0.324 0.000 0.624 431 A CB -0.573 18.305 19.000 -0.202 0.000 0.822 431 A HN 0.224 nan 8.150 nan 0.000 0.444 432 K N -0.172 120.130 120.400 -0.165 0.000 2.044 432 K HA -0.228 4.091 4.320 -0.001 0.000 0.210 432 K C 1.951 178.514 176.600 -0.062 0.000 1.049 432 K CA 1.818 58.071 56.287 -0.057 0.000 0.927 432 K CB -0.248 32.204 32.500 -0.081 0.000 0.713 432 K HN 0.647 nan 8.250 nan 0.000 0.443 433 E N 0.456 120.584 120.200 -0.119 0.000 2.070 433 E HA -0.225 4.125 4.350 -0.001 0.000 0.197 433 E C 1.839 178.401 176.600 -0.064 0.000 1.004 433 E CA 1.518 57.862 56.400 -0.094 0.000 0.805 433 E CB -0.158 29.470 29.700 -0.122 0.000 0.744 433 E HN 0.405 nan 8.360 nan 0.000 0.451 434 D N -0.176 120.170 120.400 -0.089 0.000 2.117 434 D HA -0.093 4.547 4.640 -0.001 0.000 0.198 434 D C 1.746 178.061 176.300 0.026 0.000 0.982 434 D CA 0.774 54.770 54.000 -0.006 0.000 0.828 434 D CB -0.171 40.614 40.800 -0.025 0.000 0.967 434 D HN 0.077 nan 8.370 nan 0.000 0.464 435 F N 1.244 121.214 119.950 0.032 0.000 2.206 435 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 435 F C 2.546 178.325 175.800 -0.034 0.000 1.090 435 F CA 0.637 58.646 58.000 0.015 0.000 1.323 435 F CB -0.749 38.220 39.000 -0.051 0.000 1.028 435 F HN -0.028 nan 8.300 nan 0.000 0.492 436 Q N 0.000 119.868 119.800 0.114 0.000 2.084 436 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 436 Q C 2.175 178.154 176.000 -0.034 0.000 0.978 436 Q CA 1.642 57.450 55.803 0.008 0.000 0.844 436 Q CB -0.216 28.512 28.738 -0.017 0.000 0.898 436 Q HN 0.158 nan 8.270 nan 0.000 0.426 437 K N 1.056 121.414 120.400 -0.070 0.000 2.026 437 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 437 K C 1.845 178.356 176.600 -0.148 0.000 1.048 437 K CA 1.558 57.720 56.287 -0.209 0.000 0.929 437 K CB -0.526 31.696 32.500 -0.464 0.000 0.713 437 K HN 0.173 nan 8.250 nan 0.000 0.439 438 A N 0.888 123.732 122.820 0.041 0.000 1.933 438 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 438 A C 2.224 179.844 177.584 0.060 0.000 1.175 438 A CA 1.790 53.913 52.037 0.144 0.000 0.628 438 A CB -0.735 18.458 19.000 0.321 0.000 0.814 438 A HN 0.527 nan 8.150 nan 0.000 0.444 439 Q N 0.890 120.701 119.800 0.019 0.000 2.050 439 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 439 Q C 2.367 178.341 176.000 -0.044 0.000 0.980 439 Q CA 2.677 58.432 55.803 -0.079 0.000 0.840 439 Q CB -0.481 28.122 28.738 -0.226 0.000 0.898 439 Q HN 0.722 nan 8.270 nan 0.000 0.424 440 S N -0.062 115.611 115.700 -0.045 0.000 2.383 440 S HA -0.097 4.373 4.470 -0.001 0.000 0.227 440 S C 2.195 176.794 174.600 -0.003 0.000 1.026 440 S CA 1.120 59.303 58.200 -0.028 0.000 0.981 440 S CB -0.544 62.627 63.200 -0.047 0.000 0.818 440 S HN 0.413 nan 8.310 nan 0.000 0.472 441 L N 0.875 122.095 121.223 -0.005 0.000 2.156 441 L HA 0.186 4.526 4.340 -0.001 0.000 0.208 441 L C 1.038 177.939 176.870 0.052 0.000 1.095 441 L CA 0.811 55.667 54.840 0.027 0.000 0.770 441 L CB -0.396 41.688 42.059 0.041 0.000 0.914 441 L HN 0.323 nan 8.230 nan 0.000 0.439 442 N N -0.487 118.246 118.700 0.055 0.000 2.750 442 N HA 0.167 4.907 4.740 -0.001 0.000 0.253 442 N C -2.091 173.498 175.510 0.131 0.000 1.408 442 N CA -1.856 51.243 53.050 0.082 0.000 0.780 442 N CB 0.978 39.502 38.487 0.061 0.000 1.191 442 N HN -0.179 nan 8.380 nan 0.000 0.511 443 P HA -0.081 nan 4.420 nan 0.000 0.231 443 P C 0.714 178.268 177.300 0.423 0.000 1.158 443 P CA 0.798 64.058 63.100 0.268 0.000 0.763 443 P CB 0.537 32.349 31.700 0.187 0.000 0.805 444 E N -0.525 119.855 120.200 0.300 0.000 2.371 444 E HA -0.036 4.314 4.350 -0.001 0.000 0.194 444 E C 0.569 177.400 176.600 0.385 0.000 1.012 444 E CA -0.092 56.498 56.400 0.317 0.000 0.860 444 E CB 0.034 29.850 29.700 0.193 0.000 0.811 444 E HN 0.103 nan 8.360 nan 0.000 0.502 445 N N 0.890 119.764 118.700 0.290 0.000 2.434 445 N HA -0.026 4.713 4.740 -0.001 0.000 0.272 445 N C 0.705 176.215 175.510 0.000 0.000 1.040 445 N CA -0.020 53.104 53.050 0.124 0.000 0.956 445 N CB 1.940 40.468 38.487 0.070 0.000 1.108 445 N HN -0.066 nan 8.380 nan 0.000 0.481 446 V N 5.293 124.903 119.914 -0.505 0.000 2.759 446 V HA -0.182 3.938 4.120 -0.001 0.000 0.256 446 V C 1.148 177.004 176.094 -0.397 0.000 1.080 446 V CA 1.539 63.273 62.300 -0.944 0.000 1.101 446 V CB -0.719 30.356 31.823 -1.246 0.000 0.698 446 V HN 0.656 nan 8.190 nan 0.000 0.477 447 Y N 0.521 120.681 120.300 -0.233 0.000 2.220 447 Y HA -0.030 4.520 4.550 0.000 0.000 0.291 447 Y C 0.157 175.960 175.900 -0.162 0.000 1.129 447 Y CA 1.850 59.789 58.100 -0.269 0.000 1.161 447 Y CB -1.542 36.659 38.460 -0.430 0.000 0.997 447 Y HN 0.389 nan 8.280 nan 0.000 0.522 448 P HA -0.206 nan 4.420 nan 0.000 0.216 448 P C 0.861 178.061 177.300 -0.167 0.000 1.150 448 P CA 1.764 64.867 63.100 0.003 0.000 0.837 448 P CB -0.222 31.497 31.700 0.031 0.000 0.786 449 Y N -0.695 119.557 120.300 -0.080 0.000 2.097 449 Y HA -0.198 4.352 4.550 -0.001 0.000 0.282 449 Y C 2.417 178.151 175.900 -0.276 0.000 1.152 449 Y CA 1.106 59.211 58.100 0.008 0.000 1.136 449 Y CB -1.314 37.200 38.460 0.089 0.000 0.975 449 Y HN -0.130 nan 8.280 nan 0.000 0.498 450 I N -0.278 120.181 120.570 -0.185 0.000 2.118 450 I HA -0.370 3.800 4.170 -0.001 0.000 0.241 450 I C 2.398 178.254 176.117 -0.435 0.000 1.070 450 I CA 1.324 62.390 61.300 -0.390 0.000 1.327 450 I CB -0.491 37.195 38.000 -0.523 0.000 1.034 450 I HN 0.307 nan 8.210 nan 0.000 0.405 451 Q N 0.485 120.012 119.800 -0.456 0.000 2.096 451 Q HA -0.170 4.170 4.340 -0.001 0.000 0.204 451 Q C 2.365 178.045 176.000 -0.534 0.000 0.982 451 Q CA 1.574 57.053 55.803 -0.541 0.000 0.850 451 Q CB -0.601 27.270 28.738 -1.445 0.000 0.901 451 Q HN 0.560 nan 8.270 nan 0.000 0.422 452 L N 0.057 120.895 121.223 -0.642 0.000 2.046 452 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 452 L C 2.428 178.755 176.870 -0.906 0.000 1.077 452 L CA 1.190 55.608 54.840 -0.704 0.000 0.747 452 L CB -0.622 40.958 42.059 -0.800 0.000 0.896 452 L HN 0.142 nan 8.230 nan 0.000 0.432 453 A N -1.107 121.080 122.820 -1.054 0.000 1.930 453 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 453 A C 2.382 179.764 177.584 -0.338 0.000 1.175 453 A CA 1.644 53.148 52.037 -0.887 0.000 0.627 453 A CB -1.069 17.095 19.000 -1.392 0.000 0.815 453 A HN 0.531 nan 8.150 nan 0.000 0.443 454 C N -0.775 118.441 119.300 -0.141 0.000 2.425 454 C HA -0.031 4.429 4.460 -0.001 0.000 0.277 454 C C 2.606 177.746 174.990 0.251 0.000 1.280 454 C CA 0.885 60.071 59.018 0.280 0.000 1.744 454 C CB -1.490 26.515 27.740 0.442 0.000 1.989 454 C HN 0.633 nan 8.230 nan 0.000 0.491 455 L N 0.297 121.472 121.223 -0.080 0.000 2.042 455 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 455 L C 2.509 179.219 176.870 -0.267 0.000 1.076 455 L CA 1.497 56.114 54.840 -0.372 0.000 0.749 455 L CB -0.558 41.206 42.059 -0.491 0.000 0.893 455 L HN 0.404 nan 8.230 nan 0.000 0.432 456 L N -1.806 119.317 121.223 -0.167 0.000 2.046 456 L HA -0.269 4.070 4.340 -0.001 0.000 0.208 456 L C 2.589 179.473 176.870 0.024 0.000 1.077 456 L CA 1.292 56.084 54.840 -0.081 0.000 0.747 456 L CB -0.714 41.307 42.059 -0.063 0.000 0.896 456 L HN 0.210 nan 8.230 nan 0.000 0.432 457 Y N 1.001 121.321 120.300 0.033 0.000 2.163 457 Y HA -0.215 4.334 4.550 -0.001 0.000 0.288 457 Y C 2.532 178.472 175.900 0.066 0.000 1.136 457 Y CA 1.492 59.674 58.100 0.137 0.000 1.147 457 Y CB -0.011 38.609 38.460 0.268 0.000 0.987 457 Y HN -0.086 nan 8.280 nan 0.000 0.509 458 K N 0.659 120.996 120.400 -0.104 0.000 2.147 458 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 458 K C 1.788 178.189 176.600 -0.333 0.000 1.049 458 K CA 1.463 57.594 56.287 -0.261 0.000 0.936 458 K CB -0.459 31.891 32.500 -0.250 0.000 0.722 458 K HN 0.597 nan 8.250 nan 0.000 0.446 459 Q N -0.506 119.095 119.800 -0.331 0.000 2.515 459 Q HA 0.018 4.358 4.340 -0.001 0.000 0.212 459 Q C 0.582 176.531 176.000 -0.086 0.000 0.970 459 Q CA 0.566 56.278 55.803 -0.151 0.000 0.941 459 Q CB 0.089 28.754 28.738 -0.121 0.000 0.998 459 Q HN 0.463 nan 8.270 nan 0.000 0.518 460 G N 1.803 110.517 108.800 -0.144 0.000 2.176 460 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.252 460 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.252 460 G C -0.137 174.767 174.900 0.006 0.000 1.024 460 G CA 0.096 45.139 45.100 -0.094 0.000 0.755 460 G HN 0.271 nan 8.290 nan 0.000 0.507 461 K N -0.050 120.371 120.400 0.035 0.000 2.655 461 K HA 0.398 4.717 4.320 -0.001 0.000 0.213 461 K C 1.058 177.772 176.600 0.190 0.000 1.126 461 K CA -0.920 55.423 56.287 0.094 0.000 1.076 461 K CB 0.162 32.688 32.500 0.043 0.000 1.644 461 K HN 0.188 nan 8.250 nan 0.000 0.523 462 F N 1.441 121.495 119.950 0.173 0.000 2.065 462 F HA -0.276 4.250 4.527 -0.001 0.000 0.298 462 F C 1.840 177.786 175.800 0.242 0.000 1.112 462 F CA 1.954 60.135 58.000 0.302 0.000 1.212 462 F CB -0.171 39.007 39.000 0.296 0.000 0.975 462 F HN 0.222 nan 8.300 nan 0.000 0.476 463 T N 0.302 114.822 114.554 -0.056 0.000 2.635 463 T HA -0.259 4.091 4.350 -0.001 0.000 0.267 463 T C 1.779 176.411 174.700 -0.113 0.000 1.040 463 T CA 2.000 64.019 62.100 -0.134 0.000 1.156 463 T CB -0.452 68.443 68.868 0.045 0.000 0.863 463 T HN 0.419 nan 8.240 nan 0.000 0.430 464 E N 0.467 120.655 120.200 -0.019 0.000 2.118 464 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 464 E C 2.491 179.111 176.600 0.033 0.000 0.992 464 E CA 1.075 57.485 56.400 0.017 0.000 0.804 464 E CB -0.161 29.562 29.700 0.039 0.000 0.741 464 E HN 0.329 nan 8.360 nan 0.000 0.458 465 S N 0.649 116.359 115.700 0.018 0.000 2.343 465 S HA -0.239 4.231 4.470 -0.001 0.000 0.219 465 S C 2.027 176.693 174.600 0.109 0.000 1.033 465 S CA 1.589 59.839 58.200 0.082 0.000 1.014 465 S CB -0.152 63.196 63.200 0.247 0.000 0.915 465 S HN 0.322 nan 8.310 nan 0.000 0.435 466 E N 0.421 120.555 120.200 -0.111 0.000 2.085 466 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 466 E C 2.053 178.562 176.600 -0.151 0.000 0.994 466 E CA 1.194 57.470 56.400 -0.207 0.000 0.801 466 E CB -0.434 28.976 29.700 -0.484 0.000 0.743 466 E HN 0.580 nan 8.360 nan 0.000 0.453 467 A N 0.386 123.149 122.820 -0.094 0.000 1.902 467 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 467 A C 2.020 179.588 177.584 -0.028 0.000 1.181 467 A CA 1.240 53.240 52.037 -0.061 0.000 0.623 467 A CB -0.909 18.065 19.000 -0.043 0.000 0.818 467 A HN 0.498 nan 8.150 nan 0.000 0.443 468 F N -1.027 118.848 119.950 -0.125 0.000 2.146 468 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 468 F C 1.969 177.658 175.800 -0.185 0.000 1.096 468 F CA 1.568 59.476 58.000 -0.154 0.000 1.275 468 F CB -0.169 38.705 39.000 -0.210 0.000 1.008 468 F HN 0.247 nan 8.300 nan 0.000 0.480 469 F N 0.776 120.774 119.950 0.080 0.000 2.095 469 F HA -0.288 4.238 4.527 -0.001 0.000 0.298 469 F C 2.299 177.996 175.800 -0.172 0.000 1.104 469 F CA 1.626 59.568 58.000 -0.096 0.000 1.232 469 F CB -1.046 37.723 39.000 -0.384 0.000 0.987 469 F HN -0.028 nan 8.300 nan 0.000 0.475 470 N N 0.455 119.116 118.700 -0.064 0.000 2.120 470 N HA -0.192 4.548 4.740 -0.001 0.000 0.188 470 N C 1.861 177.319 175.510 -0.087 0.000 1.024 470 N CA 1.591 54.579 53.050 -0.103 0.000 0.852 470 N CB -0.652 37.761 38.487 -0.123 0.000 1.003 470 N HN 0.561 nan 8.380 nan 0.000 0.424 471 E N 0.103 120.232 120.200 -0.119 0.000 2.110 471 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 471 E C 1.350 177.871 176.600 -0.132 0.000 0.988 471 E CA 1.611 57.915 56.400 -0.160 0.000 0.804 471 E CB -0.451 29.092 29.700 -0.262 0.000 0.745 471 E HN 0.106 nan 8.360 nan 0.000 0.458 472 T N 0.961 115.475 114.554 -0.066 0.000 2.821 472 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 472 T C 1.694 176.430 174.700 0.061 0.000 1.046 472 T CA 1.493 63.604 62.100 0.019 0.000 1.139 472 T CB -0.195 68.742 68.868 0.114 0.000 0.871 472 T HN 0.309 nan 8.240 nan 0.000 0.454 473 K N 1.173 121.590 120.400 0.029 0.000 2.148 473 K HA 0.033 4.353 4.320 -0.001 0.000 0.204 473 K C 2.166 178.750 176.600 -0.026 0.000 1.050 473 K CA 0.821 57.123 56.287 0.025 0.000 0.942 473 K CB -0.298 32.204 32.500 0.002 0.000 0.724 473 K HN 0.304 nan 8.250 nan 0.000 0.446 474 L N 1.093 122.273 121.223 -0.071 0.000 2.046 474 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 474 L C 2.753 179.521 176.870 -0.171 0.000 1.077 474 L CA 1.534 56.310 54.840 -0.107 0.000 0.747 474 L CB -0.400 41.592 42.059 -0.112 0.000 0.896 474 L HN 0.279 nan 8.230 nan 0.000 0.432 475 K N 0.145 120.392 120.400 -0.254 0.000 2.155 475 K HA -0.093 4.226 4.320 -0.001 0.000 0.203 475 K C 0.051 176.212 176.600 -0.732 0.000 1.052 475 K CA 0.977 56.948 56.287 -0.526 0.000 0.948 475 K CB 0.210 32.276 32.500 -0.723 0.000 0.728 475 K HN 0.132 nan 8.250 nan 0.000 0.448 476 F N 0.819 120.657 119.950 -0.187 0.000 2.523 476 F HA 0.304 4.831 4.527 -0.000 0.000 0.322 476 F C -2.030 173.702 175.800 -0.113 0.000 1.361 476 F CA -2.016 55.891 58.000 -0.155 0.000 1.151 476 F CB 1.692 40.579 39.000 -0.188 0.000 1.391 476 F HN -0.024 nan 8.300 nan 0.000 0.566 477 P HA -0.069 nan 4.420 nan 0.000 0.233 477 P C 1.346 178.648 177.300 0.005 0.000 1.167 477 P CA 1.066 64.166 63.100 -0.001 0.000 0.770 477 P CB -0.038 31.643 31.700 -0.032 0.000 0.837 478 T N -3.776 110.783 114.554 0.008 0.000 3.086 478 T HA 0.177 4.527 4.350 -0.001 0.000 0.250 478 T C 0.709 175.376 174.700 -0.054 0.000 1.074 478 T CA -0.133 61.956 62.100 -0.018 0.000 0.988 478 T CB -0.511 68.342 68.868 -0.025 0.000 0.988 478 T HN -0.037 nan 8.240 nan 0.000 0.530 479 L N 3.144 124.348 121.223 -0.031 0.000 2.261 479 L HA 0.334 4.673 4.340 -0.001 0.000 0.289 479 L C -1.354 175.492 176.870 -0.041 0.000 1.059 479 L CA -2.238 52.543 54.840 -0.098 0.000 0.816 479 L CB 1.470 43.469 42.059 -0.099 0.000 1.191 479 L HN -0.016 nan 8.230 nan 0.000 0.431 480 P HA -0.111 nan 4.420 nan 0.000 0.230 480 P C 0.795 178.168 177.300 0.123 0.000 1.158 480 P CA 0.785 63.920 63.100 0.059 0.000 0.769 480 P CB 0.463 32.211 31.700 0.080 0.000 0.807 481 E N -0.044 120.221 120.200 0.108 0.000 2.118 481 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 481 E C 2.032 178.773 176.600 0.235 0.000 0.992 481 E CA 1.180 57.688 56.400 0.180 0.000 0.804 481 E CB -0.954 28.678 29.700 -0.113 0.000 0.741 481 E HN 0.117 nan 8.360 nan 0.000 0.458 482 V N 1.025 121.011 119.914 0.121 0.000 2.255 482 V HA -0.126 3.994 4.120 -0.001 0.000 0.243 482 V C -0.944 175.266 176.094 0.194 0.000 1.038 482 V CA 1.679 64.094 62.300 0.193 0.000 1.008 482 V CB -1.585 30.318 31.823 0.134 0.000 0.645 482 V HN 0.248 nan 8.190 nan 0.000 0.449 483 P HA -0.091 nan 4.420 nan 0.000 0.222 483 P C 1.589 178.905 177.300 0.026 0.000 1.147 483 P CA 1.411 64.561 63.100 0.084 0.000 0.790 483 P CB -0.190 31.549 31.700 0.065 0.000 0.780 484 T N -0.539 114.086 114.554 0.118 0.000 2.737 484 T HA -0.077 4.273 4.350 -0.001 0.000 0.265 484 T C 1.522 176.247 174.700 0.041 0.000 1.038 484 T CA 1.309 63.473 62.100 0.107 0.000 1.144 484 T CB -0.852 68.131 68.868 0.191 0.000 0.866 484 T HN -0.004 nan 8.240 nan 0.000 0.434 485 F N 0.311 120.284 119.950 0.038 0.000 2.163 485 F HA 0.129 4.655 4.527 -0.001 0.000 0.297 485 F C 1.978 177.660 175.800 -0.198 0.000 1.094 485 F CA 0.426 58.457 58.000 0.052 0.000 1.290 485 F CB -0.556 38.601 39.000 0.260 0.000 1.017 485 F HN 0.067 nan 8.300 nan 0.000 0.483 486 F N 1.082 120.705 119.950 -0.545 0.000 2.095 486 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 486 F C 2.393 177.886 175.800 -0.511 0.000 1.104 486 F CA 1.113 58.516 58.000 -0.996 0.000 1.232 486 F CB -1.031 37.324 39.000 -1.076 0.000 0.987 486 F HN -0.070 nan 8.300 nan 0.000 0.475 487 A N 0.295 122.786 122.820 -0.548 0.000 1.940 487 A HA -0.324 3.995 4.320 -0.001 0.000 0.221 487 A C 2.112 179.363 177.584 -0.554 0.000 1.190 487 A CA 2.353 53.933 52.037 -0.762 0.000 0.647 487 A CB -1.128 17.042 19.000 -1.383 0.000 0.821 487 A HN 0.630 nan 8.150 nan 0.000 0.457 488 E N -0.762 119.240 120.200 -0.329 0.000 2.110 488 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 488 E C 1.873 178.347 176.600 -0.209 0.000 0.988 488 E CA 1.237 57.552 56.400 -0.143 0.000 0.804 488 E CB -0.280 29.383 29.700 -0.061 0.000 0.745 488 E HN 0.743 nan 8.360 nan 0.000 0.458 489 I N 0.784 121.145 120.570 -0.348 0.000 2.286 489 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 489 I C 2.213 178.002 176.117 -0.547 0.000 1.104 489 I CA 0.766 61.746 61.300 -0.534 0.000 1.397 489 I CB -0.050 37.599 38.000 -0.584 0.000 1.072 489 I HN 0.080 nan 8.210 nan 0.000 0.417 490 L N -0.075 120.779 121.223 -0.615 0.000 2.042 490 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 490 L C 2.576 179.219 176.870 -0.379 0.000 1.076 490 L CA 1.598 56.113 54.840 -0.542 0.000 0.749 490 L CB -0.962 40.712 42.059 -0.642 0.000 0.893 490 L HN 0.257 nan 8.230 nan 0.000 0.432 491 T N -1.248 113.162 114.554 -0.239 0.000 2.708 491 T HA -0.249 4.101 4.350 -0.001 0.000 0.266 491 T C 1.516 176.193 174.700 -0.039 0.000 1.037 491 T CA 1.791 63.879 62.100 -0.020 0.000 1.146 491 T CB -0.320 68.625 68.868 0.127 0.000 0.865 491 T HN 0.348 nan 8.240 nan 0.000 0.435 492 D N 0.410 120.775 120.400 -0.058 0.000 2.190 492 D HA -0.081 4.559 4.640 -0.001 0.000 0.200 492 D C 2.246 178.527 176.300 -0.032 0.000 0.992 492 D CA 0.919 54.923 54.000 0.006 0.000 0.854 492 D CB 0.047 40.893 40.800 0.077 0.000 0.936 492 D HN 0.221 nan 8.370 nan 0.000 0.462 493 R N -1.401 118.999 120.500 -0.167 0.000 2.275 493 R HA 0.180 4.519 4.340 -0.001 0.000 0.199 493 R C 1.336 177.432 176.300 -0.340 0.000 0.989 493 R CA 0.627 56.598 56.100 -0.215 0.000 1.016 493 R CB 0.398 30.481 30.300 -0.361 0.000 0.918 493 R HN 0.237 nan 8.270 nan 0.000 0.473 494 G N 1.650 110.132 108.800 -0.530 0.000 2.136 494 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.242 494 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.242 494 G C -0.376 173.854 174.900 -1.118 0.000 0.989 494 G CA 0.241 44.709 45.100 -1.053 0.000 0.682 494 G HN 0.364 nan 8.290 nan 0.000 0.522 495 D N 0.019 119.974 120.400 -0.742 0.000 2.563 495 D HA 0.513 5.153 4.640 -0.001 0.000 0.222 495 D C 1.268 177.356 176.300 -0.353 0.000 1.145 495 D CA -0.929 52.779 54.000 -0.486 0.000 1.001 495 D CB -0.450 40.152 40.800 -0.330 0.000 1.049 495 D HN 0.080 nan 8.370 nan 0.000 0.515 496 F N 0.518 120.422 119.950 -0.076 0.000 2.293 496 F HA -0.001 4.525 4.527 -0.001 0.000 0.297 496 F C 1.992 177.767 175.800 -0.040 0.000 1.089 496 F CA 0.389 58.357 58.000 -0.052 0.000 1.377 496 F CB -0.154 38.831 39.000 -0.025 0.000 1.051 496 F HN 0.227 nan 8.300 nan 0.000 0.511 497 D N -0.475 119.997 120.400 0.120 0.000 2.123 497 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 497 D C 2.272 178.588 176.300 0.026 0.000 0.976 497 D CA 1.659 55.704 54.000 0.074 0.000 0.831 497 D CB -0.673 40.157 40.800 0.051 0.000 0.974 497 D HN 0.154 nan 8.370 nan 0.000 0.469 498 T N 0.837 115.377 114.554 -0.022 0.000 2.746 498 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 498 T C 2.048 176.685 174.700 -0.105 0.000 1.039 498 T CA 1.440 63.510 62.100 -0.050 0.000 1.142 498 T CB -0.338 68.487 68.868 -0.071 0.000 0.866 498 T HN 0.169 nan 8.240 nan 0.000 0.444 499 A N 1.461 124.191 122.820 -0.151 0.000 1.873 499 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 499 A C 2.307 179.812 177.584 -0.132 0.000 1.193 499 A CA 1.578 53.474 52.037 -0.236 0.000 0.629 499 A CB -0.962 17.956 19.000 -0.137 0.000 0.826 499 A HN 0.518 nan 8.150 nan 0.000 0.447 500 I N -0.517 120.095 120.570 0.070 0.000 2.163 500 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 500 I C 2.525 178.700 176.117 0.096 0.000 1.085 500 I CA 1.850 63.245 61.300 0.158 0.000 1.347 500 I CB -0.340 37.731 38.000 0.119 0.000 1.044 500 I HN 0.317 nan 8.210 nan 0.000 0.408 501 K N 0.226 120.651 120.400 0.042 0.000 2.074 501 K HA -0.251 4.069 4.320 -0.001 0.000 0.209 501 K C 2.214 178.830 176.600 0.027 0.000 1.048 501 K CA 1.394 57.702 56.287 0.036 0.000 0.926 501 K CB -0.215 32.302 32.500 0.028 0.000 0.713 501 K HN 0.347 nan 8.250 nan 0.000 0.444 502 Q N -0.188 119.594 119.800 -0.031 0.000 2.084 502 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 502 Q C 2.118 178.097 176.000 -0.035 0.000 0.978 502 Q CA 1.540 57.309 55.803 -0.058 0.000 0.844 502 Q CB -0.373 28.269 28.738 -0.160 0.000 0.898 502 Q HN 0.421 nan 8.270 nan 0.000 0.426 503 Y N 1.613 121.916 120.300 0.006 0.000 2.207 503 Y HA -0.187 4.363 4.550 -0.001 0.000 0.287 503 Y C 2.050 177.956 175.900 0.010 0.000 1.156 503 Y CA 1.034 59.136 58.100 0.002 0.000 1.182 503 Y CB -0.415 38.038 38.460 -0.012 0.000 0.979 503 Y HN 0.143 nan 8.280 nan 0.000 0.521 504 D N -0.220 120.281 120.400 0.169 0.000 2.117 504 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 504 D C 2.314 178.662 176.300 0.079 0.000 0.987 504 D CA 1.201 55.261 54.000 0.100 0.000 0.829 504 D CB -0.398 40.445 40.800 0.072 0.000 0.961 504 D HN 0.300 nan 8.370 nan 0.000 0.460 505 I N 1.076 121.689 120.570 0.073 0.000 2.179 505 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 505 I C 2.457 178.614 176.117 0.067 0.000 1.088 505 I CA 1.155 62.489 61.300 0.058 0.000 1.357 505 I CB -0.208 37.821 38.000 0.048 0.000 1.051 505 I HN -0.076 nan 8.210 nan 0.000 0.409 506 A N 0.421 123.297 122.820 0.092 0.000 1.933 506 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 506 A C 2.335 179.976 177.584 0.096 0.000 1.175 506 A CA 1.969 54.069 52.037 0.104 0.000 0.628 506 A CB -0.518 18.575 19.000 0.155 0.000 0.814 506 A HN 0.346 nan 8.150 nan 0.000 0.444 507 K N -0.760 119.697 120.400 0.095 0.000 2.002 507 K HA -0.157 4.163 4.320 -0.001 0.000 0.209 507 K C 2.314 178.947 176.600 0.055 0.000 1.048 507 K CA 1.288 57.618 56.287 0.071 0.000 0.930 507 K CB -0.128 32.408 32.500 0.059 0.000 0.714 507 K HN 0.240 nan 8.250 nan 0.000 0.438 508 R N 0.711 121.241 120.500 0.049 0.000 2.091 508 R HA -0.126 4.213 4.340 -0.001 0.000 0.238 508 R C 2.369 178.690 176.300 0.034 0.000 1.136 508 R CA 1.279 57.402 56.100 0.038 0.000 0.959 508 R CB -0.919 29.401 30.300 0.033 0.000 0.856 508 R HN 0.327 nan 8.270 nan 0.000 0.437 509 L N 0.494 121.738 121.223 0.035 0.000 2.083 509 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 509 L C 2.493 179.376 176.870 0.022 0.000 1.083 509 L CA 1.295 56.147 54.840 0.020 0.000 0.752 509 L CB -0.395 41.671 42.059 0.013 0.000 0.899 509 L HN 0.143 nan 8.230 nan 0.000 0.433 510 E N 0.841 121.072 120.200 0.051 0.000 2.110 510 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 510 E C 1.931 178.577 176.600 0.076 0.000 0.988 510 E CA 1.351 57.799 56.400 0.079 0.000 0.804 510 E CB 0.008 29.770 29.700 0.103 0.000 0.745 510 E HN 0.406 nan 8.360 nan 0.000 0.458 511 E N -0.675 119.560 120.200 0.057 0.000 2.204 511 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 511 E C 1.840 178.467 176.600 0.046 0.000 0.990 511 E CA 0.998 57.428 56.400 0.050 0.000 0.821 511 E CB 0.172 29.895 29.700 0.038 0.000 0.750 511 E HN 0.160 nan 8.360 nan 0.000 0.477 512 V N 0.800 120.738 119.914 0.039 0.000 2.825 512 V HA -0.064 4.056 4.120 -0.001 0.000 0.246 512 V C 0.859 176.978 176.094 0.041 0.000 1.068 512 V CA 0.498 62.818 62.300 0.032 0.000 1.088 512 V CB 0.208 32.043 31.823 0.019 0.000 0.733 512 V HN 0.181 nan 8.190 nan 0.000 0.468 513 Q N 0.240 120.069 119.800 0.049 0.000 2.432 513 Q HA -0.049 4.291 4.340 -0.001 0.000 0.264 513 Q C 0.971 177.039 176.000 0.114 0.000 1.035 513 Q CA 0.443 56.297 55.803 0.085 0.000 0.908 513 Q CB 0.928 29.740 28.738 0.123 0.000 1.280 513 Q HN 0.487 nan 8.270 nan 0.000 0.455 514 E N 0.894 121.171 120.200 0.129 0.000 2.340 514 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 514 E C -0.375 176.300 176.600 0.125 0.000 0.996 514 E CA 0.631 57.095 56.400 0.107 0.000 0.869 514 E CB 0.547 30.298 29.700 0.085 0.000 0.835 514 E HN 0.291 nan 8.360 nan 0.000 0.493 515 K N 0.275 120.786 120.400 0.186 0.000 2.139 515 K HA 0.377 4.697 4.320 -0.001 0.000 0.243 515 K C -0.283 176.443 176.600 0.210 0.000 0.983 515 K CA -0.885 55.495 56.287 0.155 0.000 0.890 515 K CB 1.598 34.161 32.500 0.105 0.000 1.090 515 K HN 0.010 nan 8.250 nan 0.000 0.445 516 I N 2.635 123.295 120.570 0.151 0.000 2.533 516 I HA -0.045 4.124 4.170 -0.001 0.000 0.284 516 I C 1.314 177.489 176.117 0.097 0.000 1.109 516 I CA 0.219 61.631 61.300 0.187 0.000 1.412 516 I CB 0.178 38.314 38.000 0.226 0.000 1.396 516 I HN 0.606 nan 8.210 nan 0.000 0.543 517 H N 4.699 123.886 119.070 0.195 0.000 2.249 517 H HA 0.084 4.640 4.556 -0.000 0.000 0.261 517 H C 1.632 177.102 175.328 0.237 0.000 0.976 517 H CA 1.121 57.300 56.048 0.218 0.000 1.322 517 H CB 0.625 30.483 29.762 0.160 0.000 1.418 517 H HN 0.543 nan 8.280 nan 0.000 0.561 518 V N -1.143 118.964 119.914 0.322 0.000 3.578 518 V HA 0.449 4.569 4.120 -0.001 0.000 0.290 518 V C 1.211 177.403 176.094 0.162 0.000 1.376 518 V CA 0.711 63.154 62.300 0.239 0.000 1.083 518 V CB 0.043 31.994 31.823 0.215 0.000 0.911 518 V HN 0.681 nan 8.190 nan 0.000 0.433 519 G N 2.817 111.714 108.800 0.161 0.000 2.583 519 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.292 519 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.292 519 G C 0.641 175.584 174.900 0.073 0.000 1.203 519 G CA 0.994 46.162 45.100 0.113 0.000 0.987 519 G HN 1.400 nan 8.290 nan 0.000 0.554 520 I N -0.243 120.349 120.570 0.037 0.000 3.875 520 I HA 0.485 4.655 4.170 -0.001 0.000 0.329 520 I C 2.110 178.203 176.117 -0.040 0.000 1.295 520 I CA 1.041 62.340 61.300 -0.003 0.000 1.129 520 I CB -0.350 37.639 38.000 -0.018 0.000 1.008 520 I HN 0.664 nan 8.210 nan 0.000 0.413 521 G N 2.997 111.785 108.800 -0.020 0.000 2.476 521 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 521 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 521 G C -0.406 174.404 174.900 -0.150 0.000 1.164 521 G CA 1.161 46.224 45.100 -0.061 0.000 0.768 521 G HN 0.401 nan 8.290 nan 0.000 0.560 522 P HA -0.048 nan 4.420 nan 0.000 0.218 522 P C 2.002 179.115 177.300 -0.312 0.000 1.148 522 P CA 0.700 63.692 63.100 -0.180 0.000 0.822 522 P CB -0.122 31.626 31.700 0.080 0.000 0.784 523 L N -1.508 119.607 121.223 -0.179 0.000 2.017 523 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 523 L C 2.479 179.215 176.870 -0.224 0.000 1.073 523 L CA 1.414 56.154 54.840 -0.168 0.000 0.745 523 L CB -0.876 41.123 42.059 -0.101 0.000 0.894 523 L HN -0.087 nan 8.230 nan 0.000 0.432 524 I N -0.096 120.338 120.570 -0.227 0.000 2.202 524 I HA -0.185 3.984 4.170 -0.001 0.000 0.242 524 I C 2.713 178.638 176.117 -0.320 0.000 1.091 524 I CA 1.390 62.557 61.300 -0.222 0.000 1.368 524 I CB -0.993 36.910 38.000 -0.162 0.000 1.058 524 I HN 0.266 nan 8.210 nan 0.000 0.410 525 G N 0.973 109.442 108.800 -0.551 0.000 2.491 525 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.218 525 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.218 525 G C 1.717 176.235 174.900 -0.637 0.000 1.180 525 G CA 1.215 45.803 45.100 -0.854 0.000 0.774 525 G HN 0.323 nan 8.290 nan 0.000 0.562 526 K N 0.495 120.511 120.400 -0.640 0.000 2.097 526 K HA 0.130 4.449 4.320 -0.001 0.000 0.205 526 K C 2.807 179.311 176.600 -0.160 0.000 1.050 526 K CA 1.128 57.280 56.287 -0.226 0.000 0.938 526 K CB -0.267 32.156 32.500 -0.129 0.000 0.718 526 K HN 0.232 nan 8.250 nan 0.000 0.442 527 A N 0.555 123.261 122.820 -0.191 0.000 1.898 527 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 527 A C 2.119 179.612 177.584 -0.152 0.000 1.181 527 A CA 2.009 53.950 52.037 -0.161 0.000 0.620 527 A CB -0.965 17.933 19.000 -0.169 0.000 0.819 527 A HN 0.410 nan 8.150 nan 0.000 0.442 528 T N 0.566 115.029 114.554 -0.151 0.000 2.720 528 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 528 T C 1.777 176.397 174.700 -0.133 0.000 1.037 528 T CA 1.677 63.701 62.100 -0.126 0.000 1.144 528 T CB -0.442 68.363 68.868 -0.105 0.000 0.864 528 T HN 0.438 nan 8.240 nan 0.000 0.444 529 I N 0.434 120.926 120.570 -0.130 0.000 2.202 529 I HA -0.087 4.082 4.170 -0.001 0.000 0.242 529 I C 2.313 178.323 176.117 -0.179 0.000 1.091 529 I CA 1.119 62.307 61.300 -0.186 0.000 1.368 529 I CB -0.355 37.591 38.000 -0.089 0.000 1.058 529 I HN 0.185 nan 8.210 nan 0.000 0.410 530 L N 0.483 121.637 121.223 -0.115 0.000 2.083 530 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 530 L C 2.828 179.652 176.870 -0.078 0.000 1.083 530 L CA 1.273 56.061 54.840 -0.087 0.000 0.752 530 L CB -0.684 41.331 42.059 -0.073 0.000 0.899 530 L HN 0.249 nan 8.230 nan 0.000 0.433 531 A N -0.185 122.576 122.820 -0.098 0.000 1.898 531 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 531 A C 2.448 180.014 177.584 -0.030 0.000 1.181 531 A CA 1.360 53.360 52.037 -0.061 0.000 0.620 531 A CB -0.483 18.452 19.000 -0.109 0.000 0.819 531 A HN 0.280 nan 8.150 nan 0.000 0.442 532 R N -0.451 119.994 120.500 -0.092 0.000 2.070 532 R HA -0.171 4.168 4.340 -0.001 0.000 0.232 532 R C 2.404 178.636 176.300 -0.113 0.000 1.138 532 R CA 1.914 57.947 56.100 -0.112 0.000 0.936 532 R CB -0.437 29.753 30.300 -0.184 0.000 0.839 532 R HN 0.666 nan 8.270 nan 0.000 0.429 533 Q N 0.077 119.781 119.800 -0.161 0.000 2.197 533 Q HA -0.152 4.188 4.340 -0.001 0.000 0.207 533 Q C 1.795 177.768 176.000 -0.044 0.000 0.984 533 Q CA 1.969 57.699 55.803 -0.120 0.000 0.869 533 Q CB -0.122 28.544 28.738 -0.120 0.000 0.906 533 Q HN 0.419 nan 8.270 nan 0.000 0.426 534 S N -0.450 115.244 115.700 -0.010 0.000 2.660 534 S HA 0.044 4.514 4.470 -0.001 0.000 0.228 534 S C 0.375 174.985 174.600 0.017 0.000 0.966 534 S CA 0.094 58.313 58.200 0.031 0.000 0.940 534 S CB -0.002 63.262 63.200 0.108 0.000 0.773 534 S HN 0.243 nan 8.310 nan 0.000 0.535 542 D N 3.563 123.955 120.400 -0.013 0.000 2.489 542 D HA 0.065 4.704 4.640 -0.001 0.000 0.237 542 D C 0.826 177.153 176.300 0.044 0.000 1.212 542 D CA 0.328 54.336 54.000 0.013 0.000 1.058 542 D CB 0.629 41.443 40.800 0.022 0.000 1.098 542 D HN 0.739 nan 8.370 nan 0.000 0.509 543 E N 1.645 121.859 120.200 0.023 0.000 2.267 543 E HA -0.207 4.142 4.350 -0.001 0.000 0.197 543 E C 1.693 178.353 176.600 0.099 0.000 0.998 543 E CA 0.769 57.202 56.400 0.056 0.000 0.830 543 E CB 0.325 30.039 29.700 0.024 0.000 0.751 543 E HN 0.616 nan 8.360 nan 0.000 0.491 544 E N 1.629 121.868 120.200 0.065 0.000 2.000 544 E HA -0.227 4.122 4.350 -0.001 0.000 0.199 544 E C 1.890 178.525 176.600 0.059 0.000 1.011 544 E CA 0.969 57.400 56.400 0.052 0.000 0.836 544 E CB -0.510 29.208 29.700 0.030 0.000 0.778 544 E HN 0.134 nan 8.360 nan 0.000 0.462 545 K N 0.091 120.523 120.400 0.054 0.000 2.077 545 K HA -0.212 4.107 4.320 -0.001 0.000 0.213 545 K C 2.101 178.732 176.600 0.052 0.000 1.051 545 K CA 1.966 58.276 56.287 0.039 0.000 0.929 545 K CB -0.450 32.072 32.500 0.036 0.000 0.715 545 K HN 0.075 nan 8.250 nan 0.000 0.451 546 F N 2.011 121.937 119.950 -0.039 0.000 2.134 546 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 546 F C 1.808 177.582 175.800 -0.042 0.000 1.097 546 F CA 1.423 59.397 58.000 -0.044 0.000 1.264 546 F CB -0.084 38.892 39.000 -0.039 0.000 1.001 546 F HN 0.060 nan 8.300 nan 0.000 0.479 547 N N 0.694 119.443 118.700 0.081 0.000 2.216 547 N HA -0.082 4.658 4.740 -0.001 0.000 0.183 547 N C 2.053 177.514 175.510 -0.082 0.000 1.017 547 N CA 1.270 54.316 53.050 -0.008 0.000 0.861 547 N CB -0.862 37.661 38.487 0.060 0.000 0.986 547 N HN 0.388 nan 8.380 nan 0.000 0.428 548 A N 1.258 124.043 122.820 -0.057 0.000 1.873 548 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 548 A C 2.381 179.894 177.584 -0.118 0.000 1.193 548 A CA 2.313 54.309 52.037 -0.068 0.000 0.629 548 A CB -1.076 17.900 19.000 -0.040 0.000 0.826 548 A HN 0.319 nan 8.150 nan 0.000 0.447 549 A N -0.089 122.630 122.820 -0.168 0.000 1.883 549 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 549 A C 2.060 179.487 177.584 -0.260 0.000 1.186 549 A CA 1.736 53.641 52.037 -0.221 0.000 0.624 549 A CB -0.595 18.242 19.000 -0.271 0.000 0.822 549 A HN 0.432 nan 8.150 nan 0.000 0.444 550 I N 0.283 120.645 120.570 -0.347 0.000 2.118 550 I HA -0.291 3.879 4.170 -0.001 0.000 0.241 550 I C 2.480 178.491 176.117 -0.177 0.000 1.070 550 I CA 2.344 63.468 61.300 -0.292 0.000 1.327 550 I CB -1.177 36.646 38.000 -0.296 0.000 1.034 550 I HN 0.537 nan 8.210 nan 0.000 0.405 551 K N 0.995 121.314 120.400 -0.135 0.000 2.097 551 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 551 K C 2.265 178.810 176.600 -0.091 0.000 1.049 551 K CA 1.112 57.343 56.287 -0.092 0.000 0.933 551 K CB -0.071 32.389 32.500 -0.066 0.000 0.717 551 K HN 0.247 nan 8.250 nan 0.000 0.442 552 L N 0.904 122.064 121.223 -0.105 0.000 2.005 552 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 552 L C 2.457 179.263 176.870 -0.107 0.000 1.072 552 L CA 1.117 55.897 54.840 -0.100 0.000 0.744 552 L CB -0.383 41.609 42.059 -0.113 0.000 0.895 552 L HN 0.216 nan 8.230 nan 0.000 0.433 553 L N -0.922 120.223 121.223 -0.131 0.000 2.083 553 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 553 L C 2.600 179.405 176.870 -0.108 0.000 1.083 553 L CA 1.420 56.183 54.840 -0.128 0.000 0.752 553 L CB -0.872 41.093 42.059 -0.157 0.000 0.899 553 L HN 0.315 nan 8.230 nan 0.000 0.433 554 T N -0.874 113.618 114.554 -0.104 0.000 2.674 554 T HA -0.214 4.136 4.350 -0.001 0.000 0.265 554 T C 1.918 176.580 174.700 -0.062 0.000 1.039 554 T CA 1.336 63.387 62.100 -0.082 0.000 1.150 554 T CB -0.160 68.662 68.868 -0.077 0.000 0.864 554 T HN 0.034 nan 8.240 nan 0.000 0.427 555 K N 1.988 122.353 120.400 -0.058 0.000 2.059 555 K HA -0.064 4.255 4.320 -0.001 0.000 0.212 555 K C 2.276 178.851 176.600 -0.041 0.000 1.050 555 K CA 1.869 58.130 56.287 -0.043 0.000 0.927 555 K CB -1.066 31.410 32.500 -0.040 0.000 0.714 555 K HN 0.307 nan 8.250 nan 0.000 0.447 556 A N -0.094 122.694 122.820 -0.054 0.000 1.877 556 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 556 A C 2.630 180.189 177.584 -0.041 0.000 1.186 556 A CA 1.866 53.873 52.037 -0.050 0.000 0.620 556 A CB -1.194 17.763 19.000 -0.071 0.000 0.822 556 A HN 0.527 nan 8.150 nan 0.000 0.443 557 C N -0.485 118.784 119.300 -0.051 0.000 2.413 557 C HA -0.119 4.341 4.460 -0.001 0.000 0.277 557 C C 2.635 177.607 174.990 -0.029 0.000 1.265 557 C CA 1.251 60.242 59.018 -0.044 0.000 1.752 557 C CB -1.414 26.292 27.740 -0.058 0.000 1.998 557 C HN 0.687 nan 8.230 nan 0.000 0.489 558 E N 0.634 120.818 120.200 -0.027 0.000 2.072 558 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 558 E C 2.037 178.635 176.600 -0.003 0.000 0.985 558 E CA 1.000 57.391 56.400 -0.015 0.000 0.801 558 E CB -0.168 29.522 29.700 -0.016 0.000 0.750 558 E HN 0.631 nan 8.360 nan 0.000 0.452 559 L N 0.298 121.520 121.223 -0.001 0.000 2.179 559 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 559 L C 0.934 177.817 176.870 0.021 0.000 1.096 559 L CA 0.575 55.423 54.840 0.013 0.000 0.779 559 L CB 0.188 42.256 42.059 0.015 0.000 0.922 559 L HN 0.010 nan 8.230 nan 0.000 0.443 560 D N -1.200 119.206 120.400 0.010 0.000 2.656 560 D HA 0.185 4.824 4.640 -0.001 0.000 0.303 560 D C -1.905 174.396 176.300 0.002 0.000 1.199 560 D CA -1.603 52.406 54.000 0.014 0.000 0.797 560 D CB 0.999 41.807 40.800 0.014 0.000 1.170 560 D HN -0.121 nan 8.370 nan 0.000 0.509 561 P HA -0.052 nan 4.420 nan 0.000 0.221 561 P C 1.021 178.318 177.300 -0.004 0.000 1.145 561 P CA 0.750 63.849 63.100 -0.003 0.000 0.795 561 P CB 0.282 31.984 31.700 0.004 0.000 0.775 562 R N -0.977 119.523 120.500 -0.000 0.000 2.320 562 R HA 0.159 4.498 4.340 -0.001 0.000 0.211 562 R C 0.712 177.003 176.300 -0.015 0.000 0.931 562 R CA 0.038 56.135 56.100 -0.006 0.000 1.071 562 R CB -0.145 30.153 30.300 -0.003 0.000 1.025 562 R HN 0.054 nan 8.270 nan 0.000 0.495 563 S N 1.510 117.200 115.700 -0.017 0.000 2.414 563 S HA -0.008 4.461 4.470 -0.001 0.000 0.290 563 S C 1.296 175.882 174.600 -0.022 0.000 1.160 563 S CA -0.392 57.794 58.200 -0.023 0.000 1.069 563 S CB 0.721 63.906 63.200 -0.026 0.000 1.012 563 S HN 0.219 nan 8.310 nan 0.000 0.510 564 E N 3.875 124.065 120.200 -0.016 0.000 2.097 564 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 564 E C 1.624 178.221 176.600 -0.005 0.000 1.000 564 E CA 1.583 57.982 56.400 -0.002 0.000 0.804 564 E CB -0.114 29.590 29.700 0.007 0.000 0.740 564 E HN 0.907 nan 8.360 nan 0.000 0.454 565 Q N -0.542 119.248 119.800 -0.016 0.000 2.084 565 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 565 Q C 2.032 178.003 176.000 -0.049 0.000 0.978 565 Q CA 1.473 57.261 55.803 -0.024 0.000 0.844 565 Q CB -0.079 28.640 28.738 -0.030 0.000 0.898 565 Q HN 0.313 nan 8.270 nan 0.000 0.426 566 A N 0.850 123.638 122.820 -0.055 0.000 1.929 566 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 566 A C 1.883 179.413 177.584 -0.089 0.000 1.176 566 A CA 1.266 53.259 52.037 -0.074 0.000 0.628 566 A CB -0.197 18.764 19.000 -0.066 0.000 0.816 566 A HN 0.230 nan 8.150 nan 0.000 0.444 567 K N -0.600 119.754 120.400 -0.076 0.000 2.001 567 K HA -0.024 4.295 4.320 -0.001 0.000 0.208 567 K C 1.933 178.445 176.600 -0.148 0.000 1.048 567 K CA 1.416 57.642 56.287 -0.102 0.000 0.932 567 K CB -0.392 32.067 32.500 -0.068 0.000 0.715 567 K HN 0.503 nan 8.250 nan 0.000 0.437 568 I N 1.198 121.719 120.570 -0.083 0.000 2.208 568 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 568 I C 2.182 178.213 176.117 -0.144 0.000 1.097 568 I CA 1.522 62.779 61.300 -0.070 0.000 1.363 568 I CB -0.327 37.727 38.000 0.090 0.000 1.051 568 I HN 0.231 nan 8.210 nan 0.000 0.413 569 G N 0.568 109.297 108.800 -0.118 0.000 2.421 569 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.216 569 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.216 569 G C 1.554 176.348 174.900 -0.177 0.000 1.171 569 G CA 0.868 45.888 45.100 -0.132 0.000 0.775 569 G HN 0.365 nan 8.290 nan 0.000 0.543 570 L N 1.487 122.597 121.223 -0.190 0.000 2.042 570 L HA 0.091 4.430 4.340 -0.001 0.000 0.210 570 L C 3.119 179.824 176.870 -0.275 0.000 1.076 570 L CA 2.065 56.777 54.840 -0.213 0.000 0.749 570 L CB -0.814 41.135 42.059 -0.183 0.000 0.893 570 L HN 0.259 nan 8.230 nan 0.000 0.432 571 A N -1.360 121.214 122.820 -0.411 0.000 1.908 571 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 571 A C 2.145 179.402 177.584 -0.546 0.000 1.181 571 A CA 1.694 53.292 52.037 -0.731 0.000 0.627 571 A CB -0.523 17.571 19.000 -1.510 0.000 0.818 571 A HN 0.583 nan 8.150 nan 0.000 0.445 572 Q N -0.293 119.312 119.800 -0.324 0.000 2.119 572 Q HA -0.054 4.285 4.340 -0.001 0.000 0.201 572 Q C 2.174 178.147 176.000 -0.045 0.000 0.972 572 Q CA 1.170 56.911 55.803 -0.104 0.000 0.847 572 Q CB -0.445 28.230 28.738 -0.105 0.000 0.903 572 Q HN 0.750 nan 8.270 nan 0.000 0.433 573 L N 0.389 121.560 121.223 -0.086 0.000 2.072 573 L HA -0.143 4.197 4.340 -0.001 0.000 0.205 573 L C 2.312 179.230 176.870 0.080 0.000 1.079 573 L CA 0.816 55.649 54.840 -0.012 0.000 0.752 573 L CB -0.448 41.457 42.059 -0.257 0.000 0.906 573 L HN 0.075 nan 8.230 nan 0.000 0.436 574 K N 0.350 120.726 120.400 -0.040 0.000 2.032 574 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 574 K C 2.087 178.703 176.600 0.026 0.000 1.048 574 K CA 1.278 57.554 56.287 -0.019 0.000 0.927 574 K CB -0.750 31.689 32.500 -0.102 0.000 0.712 574 K HN 0.110 nan 8.250 nan 0.000 0.441 575 L N 1.928 123.163 121.223 0.019 0.000 2.042 575 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 575 L C 2.351 179.264 176.870 0.072 0.000 1.076 575 L CA 1.716 56.600 54.840 0.074 0.000 0.749 575 L CB -0.408 41.735 42.059 0.141 0.000 0.893 575 L HN 0.232 nan 8.230 nan 0.000 0.432 576 Q N -1.511 118.343 119.800 0.091 0.000 2.124 576 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 576 Q C 2.024 178.037 176.000 0.021 0.000 0.977 576 Q CA 1.633 57.478 55.803 0.070 0.000 0.850 576 Q CB -0.191 28.620 28.738 0.122 0.000 0.901 576 Q HN 0.517 nan 8.270 nan 0.000 0.429 577 M N 0.516 120.173 119.600 0.096 0.000 2.686 577 M HA -0.055 4.424 4.480 -0.001 0.000 0.246 577 M C -0.485 175.829 176.300 0.023 0.000 1.096 577 M CA 0.656 55.986 55.300 0.049 0.000 1.076 577 M CB 0.296 32.984 32.600 0.147 0.000 1.504 577 M HN 0.118 nan 8.290 nan 0.000 0.524 578 E N -0.217 119.999 120.200 0.026 0.000 2.586 578 E HA -0.210 4.140 4.350 -0.001 0.000 0.259 578 E C -0.363 176.255 176.600 0.030 0.000 1.107 578 E CA 0.723 57.139 56.400 0.026 0.000 0.754 578 E CB -1.954 27.753 29.700 0.011 0.000 1.335 578 E HN 0.499 nan 8.360 nan 0.000 0.411 579 K N 0.903 121.323 120.400 0.034 0.000 2.333 579 K HA 0.207 4.526 4.320 -0.001 0.000 0.241 579 K C 1.662 178.278 176.600 0.025 0.000 1.193 579 K CA -0.314 55.987 56.287 0.023 0.000 1.142 579 K CB 0.252 32.760 32.500 0.014 0.000 1.731 579 K HN 0.104 nan 8.250 nan 0.000 0.344 580 I N 0.550 121.145 120.570 0.041 0.000 2.179 580 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 580 I C 1.441 177.594 176.117 0.060 0.000 1.088 580 I CA 1.504 62.843 61.300 0.065 0.000 1.357 580 I CB -0.435 37.606 38.000 0.069 0.000 1.051 580 I HN 0.518 nan 8.210 nan 0.000 0.409 581 D N 0.982 121.407 120.400 0.041 0.000 2.106 581 D HA -0.218 4.421 4.640 -0.001 0.000 0.191 581 D C 2.200 178.511 176.300 0.018 0.000 0.997 581 D CA 1.634 55.654 54.000 0.034 0.000 0.834 581 D CB 0.056 40.870 40.800 0.023 0.000 0.956 581 D HN 0.366 nan 8.370 nan 0.000 0.448 582 E N -0.118 120.080 120.200 -0.003 0.000 2.077 582 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 582 E C 2.145 178.698 176.600 -0.080 0.000 0.989 582 E CA 0.860 57.238 56.400 -0.036 0.000 0.800 582 E CB -0.149 29.525 29.700 -0.043 0.000 0.746 582 E HN 0.290 nan 8.360 nan 0.000 0.452 583 A N 1.466 124.236 122.820 -0.083 0.000 1.883 583 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 583 A C 2.213 179.734 177.584 -0.105 0.000 1.186 583 A CA 1.342 53.263 52.037 -0.195 0.000 0.624 583 A CB -0.747 18.223 19.000 -0.051 0.000 0.822 583 A HN 0.148 nan 8.150 nan 0.000 0.444 584 I N -0.677 119.966 120.570 0.123 0.000 2.151 584 I HA -0.313 3.857 4.170 -0.001 0.000 0.243 584 I C 2.612 178.811 176.117 0.136 0.000 1.080 584 I CA 2.027 63.462 61.300 0.225 0.000 1.339 584 I CB -0.359 37.734 38.000 0.156 0.000 1.039 584 I HN 0.559 nan 8.210 nan 0.000 0.409 585 E N 1.146 121.373 120.200 0.046 0.000 2.077 585 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 585 E C 2.354 178.951 176.600 -0.005 0.000 0.989 585 E CA 1.163 57.576 56.400 0.023 0.000 0.800 585 E CB -0.035 29.665 29.700 0.000 0.000 0.746 585 E HN 0.439 nan 8.360 nan 0.000 0.452 586 L N -0.163 121.004 121.223 -0.094 0.000 2.046 586 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 586 L C 2.346 179.153 176.870 -0.106 0.000 1.077 586 L CA 0.971 55.709 54.840 -0.169 0.000 0.747 586 L CB -0.382 41.482 42.059 -0.325 0.000 0.896 586 L HN 0.187 nan 8.230 nan 0.000 0.432 587 F N 0.314 120.278 119.950 0.023 0.000 2.146 587 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 587 F C 2.553 178.387 175.800 0.057 0.000 1.096 587 F CA 1.131 59.167 58.000 0.059 0.000 1.275 587 F CB -0.570 38.491 39.000 0.101 0.000 1.008 587 F HN 0.098 nan 8.300 nan 0.000 0.480 588 E N 0.047 120.387 120.200 0.233 0.000 2.031 588 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 588 E C 1.859 178.513 176.600 0.090 0.000 0.994 588 E CA 1.401 57.884 56.400 0.139 0.000 0.800 588 E CB -0.269 29.494 29.700 0.105 0.000 0.752 588 E HN 0.318 nan 8.360 nan 0.000 0.447 589 D N 0.543 120.980 120.400 0.062 0.000 2.133 589 D HA -0.135 4.505 4.640 -0.001 0.000 0.195 589 D C 2.087 178.414 176.300 0.044 0.000 0.997 589 D CA 1.105 55.127 54.000 0.036 0.000 0.840 589 D CB -0.379 40.427 40.800 0.010 0.000 0.947 589 D HN -0.017 nan 8.370 nan 0.000 0.452 590 S N 0.440 116.180 115.700 0.067 0.000 2.400 590 S HA -0.136 4.334 4.470 -0.001 0.000 0.232 590 S C 2.079 176.730 174.600 0.085 0.000 1.025 590 S CA 1.062 59.310 58.200 0.080 0.000 0.993 590 S CB -0.172 63.108 63.200 0.134 0.000 0.808 590 S HN 0.400 nan 8.310 nan 0.000 0.478 591 A N 1.487 124.367 122.820 0.100 0.000 1.898 591 A HA 0.009 4.329 4.320 -0.001 0.000 0.216 591 A C 2.045 179.653 177.584 0.040 0.000 1.181 591 A CA 1.038 53.117 52.037 0.070 0.000 0.620 591 A CB -0.668 18.374 19.000 0.070 0.000 0.819 591 A HN 0.473 nan 8.150 nan 0.000 0.442 592 I N -0.294 120.299 120.570 0.037 0.000 2.208 592 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 592 I C 2.249 178.374 176.117 0.012 0.000 1.097 592 I CA 1.267 62.580 61.300 0.022 0.000 1.363 592 I CB -0.292 37.721 38.000 0.022 0.000 1.051 592 I HN 0.276 nan 8.210 nan 0.000 0.413 593 L N 0.346 121.577 121.223 0.014 0.000 2.179 593 L HA 0.088 4.427 4.340 -0.001 0.000 0.208 593 L C 1.574 178.440 176.870 -0.006 0.000 1.096 593 L CA -0.185 54.657 54.840 0.002 0.000 0.779 593 L CB -0.537 41.523 42.059 0.003 0.000 0.922 593 L HN 0.145 nan 8.230 nan 0.000 0.443 594 A N 0.944 123.768 122.820 0.006 0.000 2.555 594 A HA -0.010 4.310 4.320 -0.001 0.000 0.233 594 A C 1.480 179.049 177.584 -0.025 0.000 1.060 594 A CA 0.239 52.275 52.037 -0.002 0.000 0.759 594 A CB 0.163 19.171 19.000 0.014 0.000 0.995 594 A HN 0.482 nan 8.150 nan 0.000 0.506 595 R N 1.205 121.680 120.500 -0.043 0.000 2.055 595 R HA 0.022 4.362 4.340 -0.001 0.000 0.221 595 R C 1.179 177.445 176.300 -0.058 0.000 1.154 595 R CA 1.191 57.251 56.100 -0.068 0.000 0.975 595 R CB -0.884 29.350 30.300 -0.111 0.000 0.869 595 R HN 0.652 nan 8.270 nan 0.000 0.437 596 T N -0.426 114.099 114.554 -0.049 0.000 2.860 596 T HA 0.082 4.432 4.350 -0.001 0.000 0.299 596 T C 1.454 176.135 174.700 -0.031 0.000 1.045 596 T CA -0.597 61.480 62.100 -0.040 0.000 1.071 596 T CB 0.779 69.627 68.868 -0.033 0.000 0.985 596 T HN 0.178 nan 8.240 nan 0.000 0.537 597 M N 2.014 121.596 119.600 -0.030 0.000 2.073 597 M HA -0.083 4.397 4.480 -0.001 0.000 0.258 597 M C 1.887 178.166 176.300 -0.035 0.000 1.070 597 M CA 1.760 57.042 55.300 -0.030 0.000 1.103 597 M CB -1.535 31.048 32.600 -0.029 0.000 1.321 597 M HN 0.697 nan 8.290 nan 0.000 0.405 598 D N -0.175 120.204 120.400 -0.035 0.000 2.123 598 D HA -0.156 4.484 4.640 -0.001 0.000 0.196 598 D C 2.077 178.352 176.300 -0.043 0.000 0.992 598 D CA 1.229 55.204 54.000 -0.042 0.000 0.833 598 D CB -0.129 40.651 40.800 -0.034 0.000 0.954 598 D HN 0.501 nan 8.370 nan 0.000 0.455 599 E N 0.203 120.388 120.200 -0.025 0.000 2.072 599 E HA -0.079 4.270 4.350 -0.001 0.000 0.190 599 E C 2.024 178.622 176.600 -0.004 0.000 0.982 599 E CA 0.592 56.988 56.400 -0.006 0.000 0.803 599 E CB 0.138 29.840 29.700 0.003 0.000 0.755 599 E HN 0.188 nan 8.360 nan 0.000 0.453 600 K N 0.392 120.785 120.400 -0.012 0.000 2.103 600 K HA -0.179 4.141 4.320 -0.001 0.000 0.207 600 K C 2.152 178.736 176.600 -0.027 0.000 1.048 600 K CA 0.868 57.150 56.287 -0.008 0.000 0.930 600 K CB -0.076 32.416 32.500 -0.012 0.000 0.716 600 K HN 0.066 nan 8.250 nan 0.000 0.444 601 L N 1.158 122.347 121.223 -0.056 0.000 2.162 601 L HA -0.098 4.242 4.340 -0.001 0.000 0.205 601 L C 2.147 178.920 176.870 -0.161 0.000 1.086 601 L CA 1.356 56.140 54.840 -0.093 0.000 0.778 601 L CB -0.142 41.861 42.059 -0.092 0.000 0.928 601 L HN 0.078 nan 8.230 nan 0.000 0.446 602 Q N -0.355 119.342 119.800 -0.171 0.000 2.061 602 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 602 Q C 2.288 178.088 176.000 -0.334 0.000 0.984 602 Q CA 2.158 57.768 55.803 -0.321 0.000 0.846 602 Q CB -0.429 28.191 28.738 -0.195 0.000 0.902 602 Q HN 0.696 nan 8.270 nan 0.000 0.421 603 A N 0.136 122.937 122.820 -0.031 0.000 1.908 603 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 603 A C 2.238 179.842 177.584 0.032 0.000 1.181 603 A CA 2.099 54.227 52.037 0.152 0.000 0.627 603 A CB -1.211 17.902 19.000 0.189 0.000 0.818 603 A HN 0.493 nan 8.150 nan 0.000 0.445 604 T N -1.810 112.722 114.554 -0.037 0.000 2.821 604 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 604 T C 1.892 176.526 174.700 -0.110 0.000 1.046 604 T CA 2.385 64.462 62.100 -0.037 0.000 1.139 604 T CB -0.697 68.161 68.868 -0.018 0.000 0.871 604 T HN 0.415 nan 8.240 nan 0.000 0.454 605 T N 1.450 115.874 114.554 -0.217 0.000 2.684 605 T HA -0.036 4.314 4.350 -0.001 0.000 0.267 605 T C 1.440 175.951 174.700 -0.315 0.000 1.036 605 T CA 1.650 63.577 62.100 -0.289 0.000 1.148 605 T CB -0.577 68.044 68.868 -0.412 0.000 0.863 605 T HN 0.397 nan 8.240 nan 0.000 0.436 606 F N 1.736 121.447 119.950 -0.398 0.000 2.095 606 F HA 0.007 4.533 4.527 -0.000 0.000 0.298 606 F C 2.702 178.096 175.800 -0.677 0.000 1.104 606 F CA 0.568 58.108 58.000 -0.767 0.000 1.232 606 F CB -1.290 36.754 39.000 -1.594 0.000 0.987 606 F HN 0.141 nan 8.300 nan 0.000 0.475 607 A N -0.391 122.291 122.820 -0.230 0.000 1.933 607 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 607 A C 2.179 179.786 177.584 0.038 0.000 1.175 607 A CA 1.652 53.720 52.037 0.052 0.000 0.628 607 A CB -0.487 18.607 19.000 0.157 0.000 0.814 607 A HN 0.265 nan 8.150 nan 0.000 0.444 608 E N -0.182 120.011 120.200 -0.012 0.000 2.158 608 E HA 0.004 4.354 4.350 -0.001 0.000 0.191 608 E C 2.326 178.933 176.600 0.012 0.000 0.982 608 E CA 1.045 57.449 56.400 0.007 0.000 0.823 608 E CB -0.620 29.072 29.700 -0.012 0.000 0.766 608 E HN 0.555 nan 8.360 nan 0.000 0.468 609 A N 1.514 124.323 122.820 -0.017 0.000 1.908 609 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 609 A C 2.390 179.998 177.584 0.040 0.000 1.181 609 A CA 2.142 54.181 52.037 0.003 0.000 0.627 609 A CB -0.535 18.460 19.000 -0.010 0.000 0.818 609 A HN 0.260 nan 8.150 nan 0.000 0.445 610 A N -0.272 122.582 122.820 0.056 0.000 1.929 610 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 610 A C 2.060 179.701 177.584 0.095 0.000 1.176 610 A CA 1.618 53.715 52.037 0.100 0.000 0.628 610 A CB -0.373 18.732 19.000 0.174 0.000 0.816 610 A HN 0.548 nan 8.150 nan 0.000 0.444 611 K N -0.255 120.197 120.400 0.087 0.000 2.147 611 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 611 K C 1.641 178.294 176.600 0.088 0.000 1.049 611 K CA 1.214 57.550 56.287 0.082 0.000 0.936 611 K CB -0.229 32.316 32.500 0.074 0.000 0.722 611 K HN 0.376 nan 8.250 nan 0.000 0.446 612 I N 1.348 121.970 120.570 0.087 0.000 2.286 612 I HA -0.201 3.969 4.170 -0.001 0.000 0.245 612 I C 2.247 178.425 176.117 0.102 0.000 1.104 612 I CA 1.330 62.695 61.300 0.108 0.000 1.397 612 I CB -0.934 37.121 38.000 0.092 0.000 1.072 612 I HN 0.207 nan 8.210 nan 0.000 0.417 613 Q N 0.888 120.731 119.800 0.073 0.000 2.096 613 Q HA -0.228 4.112 4.340 -0.001 0.000 0.204 613 Q C 2.174 178.217 176.000 0.072 0.000 0.982 613 Q CA 1.409 57.248 55.803 0.059 0.000 0.850 613 Q CB -0.596 28.174 28.738 0.053 0.000 0.901 613 Q HN 0.493 nan 8.270 nan 0.000 0.422 614 K N 0.729 121.177 120.400 0.079 0.000 2.152 614 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 614 K C 2.090 178.746 176.600 0.093 0.000 1.048 614 K CA 1.356 57.689 56.287 0.077 0.000 0.933 614 K CB -0.001 32.543 32.500 0.072 0.000 0.721 614 K HN 0.043 nan 8.250 nan 0.000 0.447 615 R N 0.552 121.128 120.500 0.127 0.000 2.075 615 R HA -0.026 4.314 4.340 -0.001 0.000 0.226 615 R C 2.337 178.812 176.300 0.292 0.000 1.114 615 R CA 0.864 57.069 56.100 0.176 0.000 0.972 615 R CB -0.164 30.251 30.300 0.192 0.000 0.869 615 R HN 0.185 nan 8.270 nan 0.000 0.437 616 L N 0.195 121.576 121.223 0.263 0.000 2.083 616 L HA -0.124 4.216 4.340 -0.001 0.000 0.209 616 L C 2.680 179.617 176.870 0.112 0.000 1.083 616 L CA 1.499 56.436 54.840 0.162 0.000 0.752 616 L CB -0.319 41.728 42.059 -0.020 0.000 0.899 616 L HN 0.187 nan 8.230 nan 0.000 0.433 617 R N -0.034 120.518 120.500 0.086 0.000 2.093 617 R HA 0.094 4.434 4.340 -0.001 0.000 0.224 617 R C 1.327 177.667 176.300 0.067 0.000 1.101 617 R CA 0.457 56.594 56.100 0.061 0.000 0.979 617 R CB -0.228 30.099 30.300 0.045 0.000 0.877 617 R HN 0.302 nan 8.270 nan 0.000 0.441 618 A N 0.000 122.868 122.820 0.080 0.000 2.254 618 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 618 A CA 0.000 52.076 52.037 0.065 0.000 0.836 618 A CB 0.000 19.035 19.000 0.058 0.000 0.831 618 A HN 0.000 nan 8.150 nan 0.000 0.486