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 1hx6_1_C DATA FIRST_RESID 14 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR T 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.583 177.584 -0.001 0.000 1.274 14 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 14 A CB 0.000 19.000 19.000 0.000 0.000 0.831 15 L N 1.153 122.375 121.223 -0.001 0.000 2.156 15 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 15 L C 2.624 179.493 176.870 -0.002 0.000 1.095 15 L CA 2.894 57.733 54.840 -0.001 0.000 0.770 15 L CB -0.719 41.339 42.059 -0.001 0.000 0.914 15 L HN 0.522 nan 8.230 nan 0.000 0.439 16 R N -0.077 120.422 120.500 -0.001 0.000 2.115 16 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 16 R C 1.852 178.150 176.300 -0.004 0.000 1.111 16 R CA 1.734 57.833 56.100 -0.002 0.000 0.976 16 R CB -1.671 28.629 30.300 -0.000 0.000 0.870 16 R HN 0.654 nan 8.270 nan 0.000 0.445 17 N N -0.065 118.632 118.700 -0.004 0.000 2.148 17 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 17 N C 1.965 177.469 175.510 -0.010 0.000 1.031 17 N CA 1.458 54.503 53.050 -0.008 0.000 0.848 17 N CB -0.317 38.166 38.487 -0.007 0.000 1.005 17 N HN 0.408 nan 8.380 nan 0.000 0.427 18 Q N 1.604 121.400 119.800 -0.008 0.000 2.135 18 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 18 Q C 1.755 177.750 176.000 -0.009 0.000 0.981 18 Q CA 1.584 57.382 55.803 -0.009 0.000 0.856 18 Q CB -0.129 28.605 28.738 -0.006 0.000 0.902 18 Q HN 0.452 nan 8.270 nan 0.000 0.425 19 Q N -1.464 118.332 119.800 -0.007 0.000 2.187 19 Q HA 0.059 4.398 4.340 -0.000 0.000 0.199 19 Q C 1.929 177.925 176.000 -0.007 0.000 0.957 19 Q CA 0.901 56.700 55.803 -0.005 0.000 0.857 19 Q CB -0.045 28.692 28.738 -0.003 0.000 0.929 19 Q HN 0.448 nan 8.270 nan 0.000 0.453 20 A N 0.863 123.677 122.820 -0.009 0.000 1.930 20 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 20 A C 2.043 179.616 177.584 -0.017 0.000 1.175 20 A CA 1.088 53.118 52.037 -0.011 0.000 0.627 20 A CB -0.340 18.652 19.000 -0.012 0.000 0.815 20 A HN 0.248 nan 8.150 nan 0.000 0.443 21 M N -0.688 118.900 119.600 -0.020 0.000 2.200 21 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 21 M C 2.541 178.828 176.300 -0.022 0.000 1.066 21 M CA 1.267 56.550 55.300 -0.028 0.000 1.127 21 M CB -0.457 32.125 32.600 -0.030 0.000 1.379 21 M HN 0.477 nan 8.290 nan 0.000 0.420 22 A N 0.622 123.432 122.820 -0.015 0.000 1.898 22 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 22 A C 2.384 179.962 177.584 -0.009 0.000 1.181 22 A CA 1.857 53.887 52.037 -0.011 0.000 0.620 22 A CB -0.824 18.171 19.000 -0.008 0.000 0.819 22 A HN 0.476 nan 8.150 nan 0.000 0.442 23 A N 0.214 123.029 122.820 -0.008 0.000 1.930 23 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 23 A C 1.951 179.531 177.584 -0.006 0.000 1.175 23 A CA 2.066 54.100 52.037 -0.004 0.000 0.627 23 A CB -0.761 18.238 19.000 -0.002 0.000 0.815 23 A HN 0.647 nan 8.150 nan 0.000 0.443 24 N N 0.127 118.819 118.700 -0.014 0.000 2.058 24 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 24 N C 1.586 177.084 175.510 -0.020 0.000 1.037 24 N CA 1.911 54.949 53.050 -0.020 0.000 0.848 24 N CB -0.408 38.059 38.487 -0.034 0.000 1.021 24 N HN 0.447 nan 8.380 nan 0.000 0.422 25 L N 0.257 121.467 121.223 -0.022 0.000 2.012 25 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 25 L C 2.702 179.566 176.870 -0.011 0.000 1.073 25 L CA 1.607 56.436 54.840 -0.019 0.000 0.748 25 L CB -0.774 41.274 42.059 -0.018 0.000 0.891 25 L HN 0.441 nan 8.230 nan 0.000 0.431 26 Q N 0.120 119.916 119.800 -0.007 0.000 2.084 26 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 26 Q C 2.307 178.308 176.000 0.002 0.000 0.978 26 Q CA 1.881 57.683 55.803 -0.001 0.000 0.844 26 Q CB -0.089 28.650 28.738 0.001 0.000 0.898 26 Q HN 0.524 nan 8.270 nan 0.000 0.426 27 A N 1.284 124.105 122.820 0.002 0.000 1.902 27 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 27 A C 2.133 179.718 177.584 0.002 0.000 1.181 27 A CA 1.525 53.566 52.037 0.007 0.000 0.623 27 A CB -0.706 18.300 19.000 0.010 0.000 0.818 27 A HN 0.438 nan 8.150 nan 0.000 0.443 28 R N -0.303 120.193 120.500 -0.006 0.000 2.080 28 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 28 R C 2.342 178.638 176.300 -0.007 0.000 1.137 28 R CA 2.000 58.094 56.100 -0.009 0.000 0.943 28 R CB -0.401 29.890 30.300 -0.016 0.000 0.846 28 R HN 0.706 nan 8.270 nan 0.000 0.431 29 Q N 0.070 119.867 119.800 -0.006 0.000 2.135 29 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 29 Q C 2.232 178.232 176.000 -0.001 0.000 0.981 29 Q CA 1.804 57.605 55.803 -0.004 0.000 0.856 29 Q CB -0.121 28.615 28.738 -0.003 0.000 0.902 29 Q HN 0.464 nan 8.270 nan 0.000 0.425 30 I N -0.215 120.357 120.570 0.004 0.000 2.252 30 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 30 I C 2.209 178.332 176.117 0.009 0.000 1.102 30 I CA 0.672 61.978 61.300 0.010 0.000 1.385 30 I CB -0.197 37.812 38.000 0.016 0.000 1.064 30 I HN 0.042 nan 8.210 nan 0.000 0.414 31 V N 1.260 121.176 119.914 0.003 0.000 2.287 31 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 31 V C 2.402 178.491 176.094 -0.008 0.000 1.053 31 V CA 1.806 64.103 62.300 -0.005 0.000 1.027 31 V CB -0.432 31.383 31.823 -0.013 0.000 0.646 31 V HN 0.363 nan 8.190 nan 0.000 0.447 32 L N -0.569 120.647 121.223 -0.012 0.000 2.083 32 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 32 L C 2.744 179.605 176.870 -0.016 0.000 1.083 32 L CA 1.267 56.094 54.840 -0.022 0.000 0.752 32 L CB -0.610 41.435 42.059 -0.024 0.000 0.899 32 L HN 0.349 nan 8.230 nan 0.000 0.433 33 Q N -0.405 119.393 119.800 -0.003 0.000 2.083 33 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 33 Q C 2.235 178.249 176.000 0.024 0.000 0.969 33 Q CA 1.164 56.971 55.803 0.007 0.000 0.838 33 Q CB -0.197 28.547 28.738 0.009 0.000 0.900 33 Q HN 0.519 nan 8.270 nan 0.000 0.436 34 Q N 0.582 120.397 119.800 0.026 0.000 2.163 34 Q HA 0.044 4.384 4.340 -0.000 0.000 0.198 34 Q C 1.152 177.186 176.000 0.056 0.000 0.954 34 Q CA 0.444 56.271 55.803 0.040 0.000 0.851 34 Q CB 0.002 28.761 28.738 0.036 0.000 0.928 34 Q HN 0.335 nan 8.270 nan 0.000 0.459 35 S N -0.496 115.229 115.700 0.041 0.000 2.645 35 S HA 0.319 4.789 4.470 -0.000 0.000 0.266 35 S C -0.631 174.027 174.600 0.097 0.000 1.258 35 S CA -0.663 57.571 58.200 0.056 0.000 0.990 35 S CB 0.848 64.057 63.200 0.015 0.000 0.967 35 S HN 0.200 nan 8.310 nan 0.000 0.556 36 Y N 1.990 122.273 120.300 -0.028 0.000 2.350 36 Y HA 0.508 5.058 4.550 -0.000 0.000 0.338 36 Y C -2.536 173.314 175.900 -0.084 0.000 0.961 36 Y CA -2.285 55.788 58.100 -0.045 0.000 1.100 36 Y CB 1.925 40.363 38.460 -0.036 0.000 1.179 36 Y HN 0.562 nan 8.280 nan 0.000 0.454 37 P HA 0.176 nan 4.420 nan 0.000 0.271 37 P C -1.243 175.843 177.300 -0.356 0.000 1.216 37 P CA 0.154 63.013 63.100 -0.402 0.000 0.776 37 P CB 1.925 33.383 31.700 -0.404 0.000 0.881 38 V N 4.605 124.269 119.914 -0.418 0.000 2.841 38 V HA 0.486 4.606 4.120 -0.000 0.000 0.310 38 V C 0.020 175.881 176.094 -0.389 0.000 1.090 38 V CA -0.762 61.287 62.300 -0.418 0.000 0.930 38 V CB 2.460 33.864 31.823 -0.699 0.000 1.014 38 V HN 0.533 nan 8.190 nan 0.000 0.425 39 I N 4.195 124.685 120.570 -0.134 0.000 2.478 39 I HA 0.654 4.824 4.170 -0.000 0.000 0.287 39 I C -0.826 175.394 176.117 0.172 0.000 1.042 39 I CA -0.075 61.245 61.300 0.034 0.000 1.067 39 I CB 1.575 39.597 38.000 0.037 0.000 1.233 39 I HN 0.946 nan 8.210 nan 0.000 0.431 40 Q N 5.889 125.885 119.800 0.325 0.000 2.379 40 Q HA 0.374 4.713 4.340 -0.000 0.000 0.278 40 Q C -1.497 174.736 176.000 0.389 0.000 1.068 40 Q CA -0.937 55.092 55.803 0.377 0.000 0.816 40 Q CB 1.794 30.712 28.738 0.300 0.000 1.387 40 Q HN 0.682 nan 8.270 nan 0.000 0.413 41 Q N 1.203 121.156 119.800 0.255 0.000 2.330 41 Q HA 0.100 4.440 4.340 -0.000 0.000 0.279 41 Q C -0.528 175.479 176.000 0.011 0.000 1.024 41 Q CA 0.164 55.887 55.803 -0.133 0.000 0.900 41 Q CB 1.090 29.680 28.738 -0.247 0.000 1.221 41 Q HN 0.700 nan 8.270 nan 0.000 0.396 42 V N 3.023 122.938 119.914 0.001 0.000 2.908 42 V HA 0.178 4.298 4.120 -0.000 0.000 0.240 42 V C 0.234 176.347 176.094 0.033 0.000 1.117 42 V CA 1.021 63.361 62.300 0.067 0.000 1.133 42 V CB 0.391 32.292 31.823 0.131 0.000 0.857 42 V HN 0.927 nan 8.190 nan 0.000 0.478 43 E N -1.204 119.002 120.200 0.010 0.000 2.388 43 E HA 0.393 4.743 4.350 -0.000 0.000 0.282 43 E C -1.423 175.155 176.600 -0.037 0.000 1.026 43 E CA -0.288 56.123 56.400 0.019 0.000 0.820 43 E CB 2.226 31.991 29.700 0.109 0.000 1.226 43 E HN 0.064 nan 8.360 nan 0.000 0.432 44 T N 2.021 116.484 114.554 -0.151 0.000 2.912 44 T HA 0.523 4.873 4.350 -0.000 0.000 0.299 44 T C -1.699 172.719 174.700 -0.470 0.000 1.052 44 T CA -0.333 61.570 62.100 -0.329 0.000 0.996 44 T CB 1.697 70.439 68.868 -0.210 0.000 1.070 44 T HN 0.500 nan 8.240 nan 0.000 0.465 45 Q N 1.843 121.147 119.800 -0.826 0.000 2.353 45 Q HA 0.612 4.952 4.340 -0.000 0.000 0.275 45 Q C -1.680 174.042 176.000 -0.464 0.000 1.029 45 Q CA -0.594 54.840 55.803 -0.614 0.000 0.848 45 Q CB 2.296 30.602 28.738 -0.721 0.000 1.390 45 Q HN 0.654 nan 8.270 nan 0.000 0.401 46 T N 3.845 118.282 114.554 -0.196 0.000 2.824 46 T HA 0.794 5.144 4.350 -0.000 0.000 0.282 46 T C -1.285 173.415 174.700 0.001 0.000 0.993 46 T CA -0.354 61.639 62.100 -0.177 0.000 0.967 46 T CB 0.378 69.151 68.868 -0.159 0.000 0.960 46 T HN 0.467 nan 8.240 nan 0.000 0.441 47 F N -0.206 119.638 119.950 -0.176 0.000 2.779 47 F HA 0.729 5.256 4.527 -0.000 0.000 0.316 47 F C -1.668 174.100 175.800 -0.053 0.000 1.164 47 F CA -1.380 56.581 58.000 -0.064 0.000 0.924 47 F CB 1.033 40.059 39.000 0.042 0.000 1.348 47 F HN 0.308 nan 8.300 nan 0.000 0.467 48 D N 2.254 122.743 120.400 0.148 0.000 2.381 48 D HA 0.378 5.018 4.640 -0.000 0.000 0.235 48 D C -1.909 174.553 176.300 0.269 0.000 1.068 48 D CA -2.585 51.458 54.000 0.071 0.000 0.832 48 D CB 2.271 43.129 40.800 0.096 0.000 1.101 48 D HN 0.328 nan 8.370 nan 0.000 0.515 49 P HA -0.079 nan 4.420 nan 0.000 0.228 49 P C 0.887 178.311 177.300 0.206 0.000 1.151 49 P CA 0.420 63.688 63.100 0.280 0.000 0.770 49 P CB 0.267 31.990 31.700 0.039 0.000 0.786 50 A N -0.067 122.863 122.820 0.183 0.000 2.066 50 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 50 A C 2.069 179.727 177.584 0.123 0.000 1.157 50 A CA 1.157 53.286 52.037 0.153 0.000 0.670 50 A CB -0.742 18.345 19.000 0.144 0.000 0.804 50 A HN 0.146 nan 8.150 nan 0.000 0.453 51 N N -1.037 117.747 118.700 0.140 0.000 2.349 51 N HA 0.080 4.820 4.740 -0.000 0.000 0.180 51 N C 0.761 176.311 175.510 0.067 0.000 1.024 51 N CA 0.657 53.768 53.050 0.103 0.000 0.869 51 N CB 0.112 38.670 38.487 0.119 0.000 1.022 51 N HN 0.521 nan 8.380 nan 0.000 0.433 52 R N -0.150 120.411 120.500 0.102 0.000 2.561 52 R HA 0.239 4.579 4.340 -0.000 0.000 0.266 52 R C -0.718 175.584 176.300 0.003 0.000 1.091 52 R CA -0.055 56.013 56.100 -0.054 0.000 0.927 52 R CB 0.907 31.069 30.300 -0.231 0.000 1.240 52 R HN 0.095 nan 8.270 nan 0.000 0.449 53 S N 1.073 116.750 115.700 -0.039 0.000 2.733 53 S HA 0.212 4.682 4.470 -0.000 0.000 0.247 53 S C -0.281 174.418 174.600 0.165 0.000 1.043 53 S CA -0.250 58.058 58.200 0.179 0.000 1.066 53 S CB 0.828 64.158 63.200 0.217 0.000 1.045 53 S HN 0.165 nan 8.310 nan 0.000 0.586 54 V N 2.662 122.461 119.914 -0.193 0.000 2.448 54 V HA 0.648 4.768 4.120 -0.000 0.000 0.295 54 V C -1.345 174.454 176.094 -0.491 0.000 1.025 54 V CA -0.555 61.642 62.300 -0.172 0.000 0.859 54 V CB 1.008 32.733 31.823 -0.163 0.000 0.988 54 V HN 0.407 nan 8.190 nan 0.000 0.431 55 F N 1.604 121.491 119.950 -0.105 0.000 2.556 55 F HA 0.497 5.024 4.527 -0.000 0.000 0.314 55 F C -0.153 175.566 175.800 -0.135 0.000 1.106 55 F CA -0.934 57.002 58.000 -0.105 0.000 0.911 55 F CB 1.913 40.877 39.000 -0.061 0.000 1.190 55 F HN 0.435 nan 8.300 nan 0.000 0.448 56 D N 2.326 122.742 120.400 0.027 0.000 2.454 56 D HA 0.449 5.089 4.640 -0.000 0.000 0.225 56 D C -0.808 175.491 176.300 -0.002 0.000 1.081 56 D CA -0.113 53.869 54.000 -0.031 0.000 0.864 56 D CB 1.415 42.174 40.800 -0.069 0.000 1.040 56 D HN 0.102 nan 8.370 nan 0.000 0.517 57 V N 2.376 122.264 119.914 -0.043 0.000 2.546 57 V HA 0.298 4.418 4.120 -0.000 0.000 0.284 57 V C 0.608 176.661 176.094 -0.068 0.000 1.050 57 V CA -0.338 61.943 62.300 -0.032 0.000 0.981 57 V CB 1.640 33.408 31.823 -0.093 0.000 0.990 57 V HN 0.504 nan 8.190 nan 0.000 0.474 58 T N 6.774 121.312 114.554 -0.027 0.000 2.853 58 T HA 0.358 4.708 4.350 -0.000 0.000 0.317 58 T C -2.362 172.340 174.700 0.004 0.000 1.059 58 T CA -0.900 61.184 62.100 -0.027 0.000 0.954 58 T CB 1.007 69.867 68.868 -0.013 0.000 0.994 58 T HN 0.481 nan 8.240 nan 0.000 0.479 59 P HA 0.307 nan 4.420 nan 0.000 0.270 59 P C -0.544 176.813 177.300 0.094 0.000 1.223 59 P CA -0.442 62.735 63.100 0.129 0.000 0.785 59 P CB 0.458 32.328 31.700 0.284 0.000 0.923 60 A N 2.217 125.088 122.820 0.085 0.000 2.388 60 A HA 0.216 4.535 4.320 -0.000 0.000 0.257 60 A C 0.150 177.714 177.584 -0.034 0.000 1.095 60 A CA -0.272 51.769 52.037 0.006 0.000 0.791 60 A CB -0.303 18.678 19.000 -0.032 0.000 1.029 60 A HN 0.461 nan 8.150 nan 0.000 0.489 61 N N 1.150 119.827 118.700 -0.038 0.000 2.602 61 N HA 0.354 5.094 4.740 -0.000 0.000 0.238 61 N C -1.198 174.254 175.510 -0.096 0.000 1.084 61 N CA 0.159 53.184 53.050 -0.041 0.000 0.952 61 N CB 1.075 39.557 38.487 -0.008 0.000 1.244 61 N HN 0.432 nan 8.380 nan 0.000 0.512 62 V N 0.964 120.761 119.914 -0.196 0.000 2.668 62 V HA 0.690 4.810 4.120 -0.000 0.000 0.304 62 V C 0.729 176.689 176.094 -0.224 0.000 1.071 62 V CA 0.193 62.339 62.300 -0.256 0.000 0.894 62 V CB 0.969 32.509 31.823 -0.472 0.000 1.008 62 V HN 0.797 nan 8.190 nan 0.000 0.425 63 G N 6.317 115.067 108.800 -0.083 0.000 2.582 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.300 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.300 63 G C -0.016 174.872 174.900 -0.020 0.000 1.300 63 G CA 0.584 45.663 45.100 -0.035 0.000 0.959 63 G HN 1.239 nan 8.290 nan 0.000 0.548 64 I N 0.637 121.218 120.570 0.018 0.000 2.325 64 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 64 I C 0.444 176.595 176.117 0.056 0.000 1.019 64 I CA -0.622 60.689 61.300 0.018 0.000 1.302 64 I CB 1.445 39.446 38.000 0.002 0.000 1.401 64 I HN 0.288 nan 8.210 nan 0.000 0.485 65 V N 7.758 127.678 119.914 0.010 0.000 2.432 65 V HA 0.185 4.305 4.120 -0.000 0.000 0.275 65 V C 0.901 176.932 176.094 -0.105 0.000 1.043 65 V CA -0.349 61.922 62.300 -0.048 0.000 0.925 65 V CB 1.195 32.953 31.823 -0.109 0.000 0.985 65 V HN 0.751 nan 8.190 nan 0.000 0.466 66 K N 2.879 123.216 120.400 -0.104 0.000 2.276 66 K HA 0.454 4.774 4.320 -0.000 0.000 0.198 66 K C 0.810 177.309 176.600 -0.168 0.000 1.052 66 K CA 0.723 56.987 56.287 -0.040 0.000 0.984 66 K CB 0.735 33.298 32.500 0.104 0.000 0.836 66 K HN 0.914 nan 8.250 nan 0.000 0.490 67 G N 0.141 108.615 108.800 -0.543 0.000 2.315 67 G HA2 0.353 4.313 3.960 -0.000 0.000 0.294 67 G HA3 0.353 4.313 3.960 -0.000 0.000 0.294 67 G C -1.973 172.045 174.900 -1.469 0.000 1.300 67 G CA -1.019 43.404 45.100 -1.128 0.000 0.843 67 G HN -0.006 nan 8.290 nan 0.000 0.527 68 F N -0.507 118.856 119.950 -0.979 0.000 2.547 68 F HA 0.671 5.198 4.527 -0.000 0.000 0.316 68 F C -0.220 175.458 175.800 -0.203 0.000 1.121 68 F CA -0.846 56.922 58.000 -0.388 0.000 0.911 68 F CB 2.361 41.233 39.000 -0.214 0.000 1.179 68 F HN 0.420 nan 8.300 nan 0.000 0.443 69 L N 4.388 125.874 121.223 0.438 0.000 2.272 69 L HA 0.720 5.060 4.340 -0.000 0.000 0.289 69 L C -1.050 176.158 176.870 0.564 0.000 1.032 69 L CA -0.516 54.715 54.840 0.652 0.000 0.810 69 L CB 1.152 43.635 42.059 0.707 0.000 1.205 69 L HN 0.407 nan 8.230 nan 0.000 0.422 70 V N 5.620 125.829 119.914 0.491 0.000 2.357 70 V HA 0.396 4.516 4.120 -0.000 0.000 0.284 70 V C 0.048 176.306 176.094 0.273 0.000 1.018 70 V CA -0.820 61.702 62.300 0.370 0.000 0.841 70 V CB 1.178 33.157 31.823 0.259 0.000 0.991 70 V HN 0.724 nan 8.190 nan 0.000 0.437 71 K N 4.257 124.729 120.400 0.120 0.000 2.201 71 K HA 0.685 5.005 4.320 -0.000 0.000 0.278 71 K C -1.348 175.215 176.600 -0.062 0.000 1.027 71 K CA -0.352 55.714 56.287 -0.368 0.000 0.909 71 K CB 1.521 33.877 32.500 -0.239 0.000 1.062 71 K HN 0.496 nan 8.250 nan 0.000 0.465 72 V N 3.662 123.521 119.914 -0.092 0.000 2.577 72 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 72 V C -0.321 175.783 176.094 0.017 0.000 1.042 72 V CA -0.814 61.544 62.300 0.096 0.000 0.872 72 V CB 1.669 33.679 31.823 0.311 0.000 0.998 72 V HN 1.025 nan 8.190 nan 0.000 0.423 73 T N 1.415 115.966 114.554 -0.005 0.000 2.924 73 T HA 0.975 5.325 4.350 -0.000 0.000 0.291 73 T C -0.476 174.219 174.700 -0.008 0.000 1.045 73 T CA -0.450 61.651 62.100 0.001 0.000 1.015 73 T CB 2.359 71.219 68.868 -0.014 0.000 1.103 73 T HN 1.427 nan 8.240 nan 0.000 0.496 74 A N 0.427 123.280 122.820 0.055 0.000 2.612 74 A HA 0.905 5.225 4.320 -0.000 0.000 0.293 74 A C -1.088 176.574 177.584 0.130 0.000 1.075 74 A CA -0.740 51.360 52.037 0.104 0.000 0.680 74 A CB 1.138 20.308 19.000 0.282 0.000 1.279 74 A HN 1.731 nan 8.150 nan 0.000 0.411 75 A N 1.026 123.931 122.820 0.142 0.000 2.330 75 A HA 0.796 5.116 4.320 -0.000 0.000 0.313 75 A C -0.908 176.749 177.584 0.121 0.000 1.124 75 A CA -0.293 51.801 52.037 0.095 0.000 0.774 75 A CB 0.519 19.545 19.000 0.044 0.000 1.198 75 A HN 0.791 nan 8.150 nan 0.000 0.465 76 I N 1.595 122.185 120.570 0.033 0.000 2.545 76 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 76 I C -0.341 175.695 176.117 -0.136 0.000 1.040 76 I CA -0.310 60.950 61.300 -0.066 0.000 1.068 76 I CB 2.732 40.664 38.000 -0.113 0.000 1.251 76 I HN 0.574 nan 8.210 nan 0.000 0.424 77 T N 3.998 118.451 114.554 -0.169 0.000 2.807 77 T HA 0.270 4.620 4.350 -0.000 0.000 0.279 77 T C -0.390 174.156 174.700 -0.257 0.000 0.993 77 T CA -0.596 61.400 62.100 -0.172 0.000 0.970 77 T CB 1.144 69.951 68.868 -0.102 0.000 0.950 77 T HN 0.420 nan 8.240 nan 0.000 0.441 78 N N 2.801 121.360 118.700 -0.235 0.000 2.485 78 N HA 0.186 4.926 4.740 -0.000 0.000 0.243 78 N C -0.032 175.397 175.510 -0.134 0.000 0.987 78 N CA -0.518 52.390 53.050 -0.236 0.000 0.940 78 N CB 0.402 38.754 38.487 -0.224 0.000 1.122 78 N HN 0.367 nan 8.380 nan 0.000 0.509 79 N N 1.545 120.174 118.700 -0.118 0.000 2.276 79 N HA -0.037 4.703 4.740 -0.000 0.000 0.212 79 N C -0.339 175.141 175.510 -0.050 0.000 1.127 79 N CA -0.118 52.886 53.050 -0.076 0.000 0.834 79 N CB -0.196 38.243 38.487 -0.079 0.000 1.014 79 N HN 0.653 nan 8.380 nan 0.000 0.491 80 H N 0.290 119.295 119.070 -0.109 0.000 2.790 80 H HA 0.209 4.765 4.556 -0.000 0.000 0.358 80 H C 1.319 176.609 175.328 -0.063 0.000 1.103 80 H CA 0.357 56.356 56.048 -0.082 0.000 1.426 80 H CB 1.111 30.823 29.762 -0.084 0.000 1.424 80 H HN 0.134 nan 8.280 nan 0.000 0.599 81 A N 2.558 125.169 122.820 -0.348 0.000 1.969 81 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 81 A C 1.859 179.459 177.584 0.027 0.000 1.169 81 A CA 2.173 54.123 52.037 -0.145 0.000 0.635 81 A CB -0.459 18.419 19.000 -0.204 0.000 0.810 81 A HN 0.888 nan 8.150 nan 0.000 0.445 82 T N -5.171 109.530 114.554 0.246 0.000 3.100 82 T HA 0.177 4.527 4.350 -0.000 0.000 0.255 82 T C 0.162 174.942 174.700 0.134 0.000 0.893 82 T CA -0.261 61.942 62.100 0.172 0.000 0.882 82 T CB 0.115 69.054 68.868 0.119 0.000 1.266 82 T HN 0.201 nan 8.240 nan 0.000 0.528 83 E N 1.762 122.045 120.200 0.138 0.000 2.242 83 E HA 0.745 5.095 4.350 -0.000 0.000 0.275 83 E C -0.181 176.327 176.600 -0.153 0.000 1.002 83 E CA -0.426 55.878 56.400 -0.159 0.000 0.841 83 E CB 1.926 31.347 29.700 -0.466 0.000 1.109 83 E HN 0.537 nan 8.360 nan 0.000 0.394 84 A N 1.697 124.450 122.820 -0.111 0.000 2.239 84 A HA 0.685 5.005 4.320 -0.000 0.000 0.303 84 A C -0.100 177.430 177.584 -0.090 0.000 1.114 84 A CA -0.539 51.445 52.037 -0.089 0.000 0.871 84 A CB 0.735 19.706 19.000 -0.049 0.000 1.201 84 A HN 0.404 nan 8.150 nan 0.000 0.506 85 V N -4.071 115.807 119.914 -0.059 0.000 3.078 85 V HA 0.938 5.058 4.120 -0.000 0.000 0.311 85 V C -0.230 175.949 176.094 0.142 0.000 1.138 85 V CA -0.329 61.986 62.300 0.026 0.000 1.007 85 V CB 1.103 32.941 31.823 0.025 0.000 1.045 85 V HN 1.867 nan 8.190 nan 0.000 0.432 86 A N 2.693 125.650 122.820 0.228 0.000 2.413 86 A HA 0.858 5.178 4.320 -0.000 0.000 0.307 86 A C -0.566 177.141 177.584 0.205 0.000 1.087 86 A CA -0.979 51.202 52.037 0.240 0.000 0.750 86 A CB 1.467 20.525 19.000 0.098 0.000 1.296 86 A HN 1.084 nan 8.150 nan 0.000 0.423 87 L N 1.819 123.062 121.223 0.033 0.000 2.514 87 L HA 0.157 4.497 4.340 -0.000 0.000 0.280 87 L C 1.493 178.267 176.870 -0.161 0.000 1.223 87 L CA 0.097 54.757 54.840 -0.299 0.000 0.864 87 L CB 0.519 42.433 42.059 -0.242 0.000 1.118 87 L HN 0.996 nan 8.230 nan 0.000 0.494 88 T N -2.012 112.416 114.554 -0.209 0.000 2.770 88 T HA 0.087 4.437 4.350 -0.000 0.000 0.281 88 T C 0.740 175.356 174.700 -0.141 0.000 0.981 88 T CA -0.785 61.209 62.100 -0.178 0.000 0.955 88 T CB 0.777 69.505 68.868 -0.233 0.000 1.060 88 T HN 0.505 nan 8.240 nan 0.000 0.531 89 D N -0.248 120.040 120.400 -0.187 0.000 2.178 89 D HA -0.010 4.629 4.640 -0.000 0.000 0.201 89 D C 1.523 177.970 176.300 0.244 0.000 0.980 89 D CA 1.039 55.022 54.000 -0.029 0.000 0.842 89 D CB -0.218 40.517 40.800 -0.107 0.000 0.948 89 D HN 0.468 nan 8.370 nan 0.000 0.472 90 F N 0.183 120.069 119.950 -0.106 0.000 2.473 90 F HA 0.242 4.768 4.527 -0.000 0.000 0.294 90 F C 2.200 177.951 175.800 -0.081 0.000 1.103 90 F CA 0.447 58.420 58.000 -0.044 0.000 1.442 90 F CB -0.941 38.009 39.000 -0.083 0.000 1.097 90 F HN -0.018 nan 8.300 nan 0.000 0.547 91 G N 2.637 111.463 108.800 0.043 0.000 2.685 91 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.329 91 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.329 91 G C -1.109 173.765 174.900 -0.043 0.000 1.271 91 G CA 0.572 45.614 45.100 -0.097 0.000 1.003 91 G HN 0.208 nan 8.290 nan 0.000 0.549 92 P HA 0.036 nan 4.420 nan 0.000 0.225 92 P C 1.673 178.982 177.300 0.015 0.000 1.148 92 P CA 2.377 65.483 63.100 0.009 0.000 0.779 92 P CB -0.389 31.308 31.700 -0.004 0.000 0.780 93 A N 0.149 122.935 122.820 -0.057 0.000 2.121 93 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 93 A C 1.877 179.592 177.584 0.219 0.000 1.154 93 A CA 1.111 53.113 52.037 -0.058 0.000 0.679 93 A CB -1.040 17.817 19.000 -0.238 0.000 0.795 93 A HN 0.128 nan 8.150 nan 0.000 0.458 94 N N -0.354 118.473 118.700 0.211 0.000 2.314 94 N HA 0.175 4.915 4.740 -0.000 0.000 0.200 94 N C 1.105 176.755 175.510 0.234 0.000 1.135 94 N CA 0.098 53.295 53.050 0.245 0.000 0.835 94 N CB 0.029 38.644 38.487 0.214 0.000 0.989 94 N HN 0.483 nan 8.380 nan 0.000 0.478 95 L N -0.307 121.087 121.223 0.284 0.000 2.141 95 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 95 L C 0.332 177.379 176.870 0.295 0.000 1.094 95 L CA 0.811 55.848 54.840 0.329 0.000 0.763 95 L CB 0.187 42.461 42.059 0.358 0.000 0.908 95 L HN -0.115 nan 8.230 nan 0.000 0.437 96 V N 0.028 120.043 119.914 0.169 0.000 2.370 96 V HA 0.118 4.238 4.120 -0.000 0.000 0.283 96 V C 0.566 176.566 176.094 -0.156 0.000 1.023 96 V CA -0.517 61.660 62.300 -0.206 0.000 0.857 96 V CB 1.667 33.064 31.823 -0.709 0.000 0.985 96 V HN 0.187 nan 8.190 nan 0.000 0.443 97 Q N 3.547 123.267 119.800 -0.135 0.000 2.123 97 Q HA 0.200 4.540 4.340 -0.000 0.000 0.196 97 Q C 0.488 176.395 176.000 -0.155 0.000 0.958 97 Q CA 1.041 56.806 55.803 -0.063 0.000 0.841 97 Q CB 0.426 29.163 28.738 -0.003 0.000 0.915 97 Q HN 0.609 nan 8.270 nan 0.000 0.455 98 R N -0.881 119.476 120.500 -0.238 0.000 2.707 98 R HA 0.598 4.938 4.340 -0.000 0.000 0.272 98 R C -1.577 174.529 176.300 -0.323 0.000 1.011 98 R CA -0.466 55.483 56.100 -0.251 0.000 0.893 98 R CB 2.595 32.797 30.300 -0.162 0.000 1.233 98 R HN -0.067 nan 8.270 nan 0.000 0.464 99 V N 3.704 123.436 119.914 -0.304 0.000 2.760 99 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 99 V C -1.678 174.281 176.094 -0.225 0.000 1.077 99 V CA -0.641 61.475 62.300 -0.307 0.000 0.910 99 V CB 1.937 33.541 31.823 -0.365 0.000 1.008 99 V HN 0.607 nan 8.190 nan 0.000 0.424 100 I N 7.082 127.538 120.570 -0.189 0.000 2.569 100 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 100 I C -1.230 174.800 176.117 -0.144 0.000 1.088 100 I CA -0.428 60.764 61.300 -0.180 0.000 1.047 100 I CB 1.986 39.892 38.000 -0.157 0.000 1.237 100 I HN 0.688 nan 8.210 nan 0.000 0.421 101 Y N 6.046 126.158 120.300 -0.313 0.000 2.409 101 Y HA 0.715 5.265 4.550 -0.000 0.000 0.343 101 Y C -1.740 173.988 175.900 -0.287 0.000 0.973 101 Y CA -0.854 57.101 58.100 -0.241 0.000 1.064 101 Y CB 1.366 39.696 38.460 -0.217 0.000 1.207 101 Y HN 0.464 nan 8.280 nan 0.000 0.452 102 Y N 4.105 123.857 120.300 -0.914 0.000 2.425 102 Y HA 0.307 4.857 4.550 -0.000 0.000 0.344 102 Y C -0.250 175.087 175.900 -0.938 0.000 0.969 102 Y CA -1.179 56.566 58.100 -0.592 0.000 1.052 102 Y CB 1.311 39.581 38.460 -0.317 0.000 1.215 102 Y HN 0.713 nan 8.280 nan 0.000 0.451 103 D N 2.263 122.521 120.400 -0.236 0.000 2.478 103 D HA 0.251 4.891 4.640 -0.000 0.000 0.269 103 D C -2.196 174.098 176.300 -0.010 0.000 1.232 103 D CA -2.233 51.723 54.000 -0.073 0.000 1.059 103 D CB 0.271 41.216 40.800 0.240 0.000 1.104 103 D HN 0.164 nan 8.370 nan 0.000 0.566 104 P HA -0.078 nan 4.420 nan 0.000 0.221 104 P C 0.065 177.382 177.300 0.028 0.000 1.145 104 P CA 1.084 64.200 63.100 0.026 0.000 0.795 104 P CB 0.095 31.823 31.700 0.046 0.000 0.775 105 D N -2.016 118.418 120.400 0.057 0.000 2.342 105 D HA 0.037 4.677 4.640 -0.000 0.000 0.221 105 D C 0.372 176.704 176.300 0.053 0.000 1.101 105 D CA 0.080 54.112 54.000 0.052 0.000 0.837 105 D CB -0.671 40.170 40.800 0.069 0.000 0.938 105 D HN 0.003 nan 8.370 nan 0.000 0.508 106 N N 1.151 119.882 118.700 0.052 0.000 2.741 106 N HA -0.230 4.509 4.740 -0.000 0.000 0.250 106 N C -0.317 175.306 175.510 0.188 0.000 1.115 106 N CA 0.459 53.553 53.050 0.073 0.000 0.724 106 N CB -0.889 37.589 38.487 -0.015 0.000 1.090 106 N HN 0.172 nan 8.380 nan 0.000 0.558 107 Q N 0.958 120.867 119.800 0.180 0.000 2.279 107 Q HA 0.324 4.664 4.340 -0.000 0.000 0.256 107 Q C -0.104 176.020 176.000 0.207 0.000 0.937 107 Q CA -0.324 55.578 55.803 0.164 0.000 0.933 107 Q CB 0.746 29.553 28.738 0.115 0.000 1.189 107 Q HN 0.330 nan 8.270 nan 0.000 0.417 108 R N 3.805 124.351 120.500 0.078 0.000 2.390 108 R HA 0.211 4.551 4.340 -0.000 0.000 0.291 108 R C -0.046 176.246 176.300 -0.014 0.000 1.070 108 R CA 0.061 56.075 56.100 -0.144 0.000 1.014 108 R CB 0.441 30.556 30.300 -0.309 0.000 1.007 108 R HN 0.869 nan 8.270 nan 0.000 0.466 109 H N 1.053 120.063 119.070 -0.101 0.000 4.661 109 H HA 0.160 4.716 4.556 -0.000 0.000 0.141 109 H C 0.056 175.286 175.328 -0.163 0.000 1.436 109 H CA -0.502 55.511 56.048 -0.059 0.000 1.052 109 H CB 0.145 29.947 29.762 0.066 0.000 1.383 109 H HN 0.445 nan 8.280 nan 0.000 0.422 110 T N 1.847 116.388 114.554 -0.022 0.000 2.940 110 T HA 0.012 4.362 4.350 -0.000 0.000 0.309 110 T C 0.252 174.862 174.700 -0.150 0.000 1.056 110 T CA 0.489 62.493 62.100 -0.159 0.000 1.137 110 T CB 0.366 69.100 68.868 -0.224 0.000 0.976 110 T HN 0.331 nan 8.240 nan 0.000 0.547 111 E N 2.231 122.346 120.200 -0.141 0.000 2.542 111 E HA 0.335 4.684 4.350 -0.000 0.000 0.298 111 E C -1.054 175.484 176.600 -0.103 0.000 0.980 111 E CA -0.339 55.982 56.400 -0.132 0.000 0.792 111 E CB 1.448 31.081 29.700 -0.112 0.000 1.463 111 E HN 0.705 nan 8.360 nan 0.000 0.389 112 T N 0.707 115.170 114.554 -0.150 0.000 2.665 112 T HA 0.426 4.776 4.350 -0.000 0.000 0.303 112 T C -0.875 173.668 174.700 -0.262 0.000 1.334 112 T CA -0.056 61.949 62.100 -0.158 0.000 1.011 112 T CB 0.933 69.762 68.868 -0.065 0.000 1.573 112 T HN 0.361 nan 8.240 nan 0.000 0.492 113 S N -0.027 115.436 115.700 -0.395 0.000 2.617 113 S HA 0.493 4.963 4.470 -0.000 0.000 0.269 113 S C 1.632 175.936 174.600 -0.493 0.000 1.292 113 S CA 0.055 57.949 58.200 -0.509 0.000 1.010 113 S CB 0.881 63.525 63.200 -0.927 0.000 0.944 113 S HN 1.077 nan 8.310 nan 0.000 0.536 114 G N 1.166 109.753 108.800 -0.355 0.000 2.418 114 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 114 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 114 G C 1.329 176.209 174.900 -0.033 0.000 1.158 114 G CA 0.798 45.756 45.100 -0.237 0.000 0.771 114 G HN 0.959 nan 8.290 nan 0.000 0.545 115 W N 0.206 121.460 121.300 -0.076 0.000 2.388 115 W HA -0.046 4.614 4.660 -0.000 0.000 0.294 115 W C 1.799 178.013 176.519 -0.508 0.000 1.212 115 W CA 0.879 57.981 57.345 -0.406 0.000 1.271 115 W CB -1.085 28.089 29.460 -0.477 0.000 1.126 115 W HN 0.428 nan 8.180 nan 0.000 0.535 116 H N 1.165 119.807 119.070 -0.714 0.000 2.357 116 H HA -0.174 4.381 4.556 -0.000 0.000 0.301 116 H C 2.368 177.567 175.328 -0.214 0.000 1.082 116 H CA 1.742 57.521 56.048 -0.449 0.000 1.342 116 H CB -0.071 29.226 29.762 -0.775 0.000 1.389 116 H HN 0.115 nan 8.280 nan 0.000 0.511 117 L N 0.954 121.946 121.223 -0.386 0.000 2.042 117 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 117 L C 2.561 179.332 176.870 -0.165 0.000 1.076 117 L CA 2.387 57.037 54.840 -0.316 0.000 0.749 117 L CB -1.077 40.857 42.059 -0.207 0.000 0.893 117 L HN 0.361 nan 8.230 nan 0.000 0.432 118 H N -1.237 117.751 119.070 -0.137 0.000 2.353 118 H HA -0.192 4.364 4.556 -0.000 0.000 0.300 118 H C 1.836 177.140 175.328 -0.041 0.000 1.090 118 H CA 2.222 58.183 56.048 -0.145 0.000 1.327 118 H CB -0.358 29.289 29.762 -0.192 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.233 119.604 119.950 -0.189 0.000 2.216 119 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 119 F C 2.662 178.394 175.800 -0.114 0.000 1.085 119 F CA 0.886 58.820 58.000 -0.111 0.000 1.326 119 F CB -0.966 38.008 39.000 -0.044 0.000 1.027 119 F HN 0.102 nan 8.300 nan 0.000 0.497 120 V N 0.080 119.990 119.914 -0.007 0.000 2.427 120 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 120 V C 1.919 177.957 176.094 -0.094 0.000 1.051 120 V CA 1.829 64.108 62.300 -0.036 0.000 1.048 120 V CB -0.858 30.883 31.823 -0.137 0.000 0.666 120 V HN 0.361 nan 8.190 nan 0.000 0.456 121 N N -0.246 118.307 118.700 -0.245 0.000 2.104 121 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 121 N C 1.831 177.206 175.510 -0.224 0.000 1.024 121 N CA 1.815 54.594 53.050 -0.451 0.000 0.853 121 N CB -0.211 37.575 38.487 -1.169 0.000 1.008 121 N HN 0.418 nan 8.380 nan 0.000 0.424 122 T N 0.551 115.009 114.554 -0.161 0.000 2.737 122 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 122 T C 2.068 176.743 174.700 -0.043 0.000 1.038 122 T CA 1.175 63.256 62.100 -0.031 0.000 1.144 122 T CB -0.326 68.503 68.868 -0.064 0.000 0.866 122 T HN 0.331 nan 8.240 nan 0.000 0.434 123 A N 1.934 124.737 122.820 -0.029 0.000 1.908 123 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 123 A C 2.259 179.839 177.584 -0.008 0.000 1.181 123 A CA 1.379 53.363 52.037 -0.088 0.000 0.627 123 A CB -0.330 18.564 19.000 -0.176 0.000 0.818 123 A HN 0.309 nan 8.150 nan 0.000 0.445 124 K N -0.617 119.782 120.400 -0.001 0.000 2.217 124 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 124 K C 2.116 178.701 176.600 -0.024 0.000 1.051 124 K CA 1.368 57.643 56.287 -0.019 0.000 0.952 124 K CB -0.170 32.291 32.500 -0.065 0.000 0.736 124 K HN 0.768 nan 8.250 nan 0.000 0.453 125 Q N -0.001 119.803 119.800 0.007 0.000 2.187 125 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 125 Q C 0.674 176.663 176.000 -0.017 0.000 0.957 125 Q CA 1.268 57.081 55.803 0.016 0.000 0.857 125 Q CB 0.286 29.085 28.738 0.103 0.000 0.929 125 Q HN 0.418 nan 8.270 nan 0.000 0.453 126 G N -0.541 108.243 108.800 -0.027 0.000 2.141 126 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.231 126 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.231 126 G C -0.063 174.798 174.900 -0.067 0.000 0.984 126 G CA 0.171 45.247 45.100 -0.041 0.000 0.660 126 G HN 0.839 nan 8.290 nan 0.000 0.525 127 A N -1.287 121.491 122.820 -0.071 0.000 2.583 127 A HA 0.784 5.104 4.320 -0.000 0.000 0.292 127 A C -3.152 174.399 177.584 -0.055 0.000 1.045 127 A CA -0.715 51.272 52.037 -0.083 0.000 0.672 127 A CB 0.701 19.662 19.000 -0.064 0.000 1.283 127 A HN 0.170 nan 8.150 nan 0.000 0.419 128 P HA 0.132 nan 4.420 nan 0.000 0.258 128 P C -0.337 177.028 177.300 0.109 0.000 1.172 128 P CA 0.512 63.629 63.100 0.029 0.000 0.762 128 P CB -0.139 31.580 31.700 0.032 0.000 0.764 129 F N 5.759 125.717 119.950 0.012 0.000 2.580 129 F HA -0.069 4.458 4.527 -0.000 0.000 0.398 129 F C 1.175 176.998 175.800 0.037 0.000 1.023 129 F CA 0.378 58.394 58.000 0.027 0.000 1.188 129 F CB -0.439 38.602 39.000 0.068 0.000 1.005 129 F HN 0.273 nan 8.300 nan 0.000 0.546 130 L N 3.570 124.440 121.223 -0.587 0.000 3.976 130 L HA -0.327 4.013 4.340 -0.000 0.000 0.418 130 L C 0.651 177.373 176.870 -0.246 0.000 1.177 130 L CA 0.546 55.056 54.840 -0.549 0.000 0.968 130 L CB -2.394 39.191 42.059 -0.790 0.000 1.933 130 L HN 0.722 nan 8.230 nan 0.000 0.976 131 S N -1.841 113.779 115.700 -0.134 0.000 2.645 131 S HA 0.522 4.991 4.470 -0.000 0.000 0.266 131 S C 0.317 174.870 174.600 -0.079 0.000 1.258 131 S CA -0.052 58.107 58.200 -0.068 0.000 0.990 131 S CB 2.195 65.381 63.200 -0.023 0.000 0.967 131 S HN 0.272 nan 8.310 nan 0.000 0.556 132 S N 1.691 117.361 115.700 -0.050 0.000 2.474 132 S HA 0.453 4.923 4.470 -0.000 0.000 0.321 132 S C -0.051 174.529 174.600 -0.034 0.000 1.080 132 S CA -1.023 57.151 58.200 -0.044 0.000 1.106 132 S CB -0.332 62.854 63.200 -0.023 0.000 0.984 132 S HN 0.781 nan 8.310 nan 0.000 0.464 133 M N 4.227 123.800 119.600 -0.046 0.000 2.243 133 M HA 0.539 5.019 4.480 -0.000 0.000 0.341 133 M C -0.904 175.378 176.300 -0.030 0.000 1.130 133 M CA -0.410 54.865 55.300 -0.042 0.000 1.162 133 M CB 0.532 33.097 32.600 -0.058 0.000 1.497 133 M HN 0.252 nan 8.290 nan 0.000 0.456 134 V N 2.922 122.823 119.914 -0.021 0.000 2.439 134 V HA 0.564 4.684 4.120 -0.000 0.000 0.282 134 V C 0.505 176.589 176.094 -0.016 0.000 1.039 134 V CA -0.143 62.150 62.300 -0.010 0.000 0.913 134 V CB 1.054 32.875 31.823 -0.004 0.000 0.983 134 V HN 1.106 nan 8.190 nan 0.000 0.460 135 T N -0.136 114.412 114.554 -0.010 0.000 2.838 135 T HA 0.357 4.707 4.350 -0.000 0.000 0.292 135 T C 0.264 174.966 174.700 0.004 0.000 1.113 135 T CA -0.276 61.815 62.100 -0.015 0.000 1.008 135 T CB 1.922 70.767 68.868 -0.039 0.000 1.259 135 T HN 0.618 nan 8.240 nan 0.000 0.520 136 D N -0.136 120.266 120.400 0.003 0.000 2.328 136 D HA 0.084 4.724 4.640 -0.000 0.000 0.226 136 D C 0.659 176.975 176.300 0.027 0.000 1.066 136 D CA -0.195 53.813 54.000 0.013 0.000 0.861 136 D CB -0.363 40.441 40.800 0.006 0.000 0.912 136 D HN 0.389 nan 8.370 nan 0.000 0.521 137 S N 1.826 117.551 115.700 0.042 0.000 2.525 137 S HA 0.088 4.558 4.470 -0.000 0.000 0.285 137 S C -1.045 173.609 174.600 0.090 0.000 1.283 137 S CA -0.922 57.328 58.200 0.084 0.000 1.072 137 S CB 0.994 64.288 63.200 0.155 0.000 0.867 137 S HN 0.095 nan 8.310 nan 0.000 0.492 138 P HA 0.078 nan 4.420 nan 0.000 0.227 138 P C 0.135 177.452 177.300 0.028 0.000 1.161 138 P CA 0.286 63.410 63.100 0.039 0.000 0.788 138 P CB -0.020 31.695 31.700 0.025 0.000 0.822 139 I N 1.116 121.716 120.570 0.050 0.000 2.648 139 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 139 I C 1.328 177.388 176.117 -0.095 0.000 1.153 139 I CA 0.275 61.544 61.300 -0.051 0.000 1.426 139 I CB 0.244 38.207 38.000 -0.061 0.000 1.381 139 I HN -0.274 nan 8.210 nan 0.000 0.571 140 K N 6.507 126.797 120.400 -0.184 0.000 3.000 140 K HA 0.105 4.425 4.320 -0.000 0.000 0.265 140 K C -0.793 175.712 176.600 -0.158 0.000 1.260 140 K CA -0.061 56.150 56.287 -0.128 0.000 1.209 140 K CB -0.497 31.948 32.500 -0.091 0.000 1.484 140 K HN 0.358 nan 8.250 nan 0.000 0.283 141 Y N 0.543 120.832 120.300 -0.019 0.000 2.281 141 Y HA 0.338 4.888 4.550 -0.000 0.000 0.337 141 Y C 1.532 177.418 175.900 -0.022 0.000 1.304 141 Y CA 0.634 58.720 58.100 -0.024 0.000 1.465 141 Y CB 0.868 39.312 38.460 -0.027 0.000 1.350 141 Y HN 0.479 nan 8.280 nan 0.000 0.575 142 G N 0.110 109.005 108.800 0.159 0.000 2.302 142 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.264 142 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.264 142 G C -1.726 173.197 174.900 0.040 0.000 1.335 142 G CA -0.855 44.289 45.100 0.075 0.000 0.982 142 G HN 0.545 nan 8.290 nan 0.000 0.473 143 D N 0.511 120.925 120.400 0.023 0.000 2.470 143 D HA 0.438 5.078 4.640 -0.000 0.000 0.226 143 D C 1.354 177.661 176.300 0.012 0.000 1.196 143 D CA 0.191 54.198 54.000 0.013 0.000 0.979 143 D CB 0.742 41.550 40.800 0.013 0.000 1.059 143 D HN 0.269 nan 8.370 nan 0.000 0.515 144 V N 3.156 123.075 119.914 0.009 0.000 2.672 144 V HA -0.019 4.101 4.120 -0.000 0.000 0.242 144 V C 1.872 177.969 176.094 0.004 0.000 1.059 144 V CA 0.697 62.998 62.300 0.003 0.000 1.081 144 V CB -0.088 31.732 31.823 -0.004 0.000 0.752 144 V HN 0.554 nan 8.190 nan 0.000 0.472 145 M N -0.409 119.193 119.600 0.002 0.000 2.371 145 M HA 0.289 4.769 4.480 -0.000 0.000 0.246 145 M C 0.372 176.685 176.300 0.023 0.000 1.103 145 M CA 0.100 55.405 55.300 0.008 0.000 1.010 145 M CB -0.640 31.956 32.600 -0.006 0.000 1.457 145 M HN 0.377 nan 8.290 nan 0.000 0.486 146 N N 1.207 119.920 118.700 0.021 0.000 2.705 146 N HA -0.142 4.598 4.740 -0.000 0.000 0.255 146 N C 1.008 176.557 175.510 0.064 0.000 1.008 146 N CA 0.246 53.319 53.050 0.038 0.000 0.742 146 N CB -1.114 37.400 38.487 0.046 0.000 0.906 146 N HN 0.147 nan 8.380 nan 0.000 0.541 147 V N -0.210 119.725 119.914 0.036 0.000 2.261 147 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 147 V C 1.409 177.606 176.094 0.173 0.000 1.047 147 V CA 1.560 63.895 62.300 0.058 0.000 1.015 147 V CB 0.029 31.770 31.823 -0.138 0.000 0.642 147 V HN 0.404 nan 8.190 nan 0.000 0.446 148 I N 0.411 121.032 120.570 0.084 0.000 2.418 148 I HA 0.511 4.681 4.170 -0.000 0.000 0.287 148 I C -1.109 175.042 176.117 0.057 0.000 1.008 148 I CA -0.322 61.035 61.300 0.096 0.000 1.104 148 I CB 1.804 39.842 38.000 0.062 0.000 1.264 148 I HN 0.252 nan 8.210 nan 0.000 0.438 149 D N 5.416 125.853 120.400 0.062 0.000 2.654 149 D HA 0.799 5.439 4.640 -0.000 0.000 0.231 149 D C -1.703 174.638 176.300 0.068 0.000 1.239 149 D CA -0.345 53.689 54.000 0.057 0.000 0.790 149 D CB 2.316 43.151 40.800 0.059 0.000 1.480 149 D HN 0.711 nan 8.370 nan 0.000 0.442 150 A N 2.154 125.018 122.820 0.073 0.000 2.547 150 A HA 0.613 4.933 4.320 -0.000 0.000 0.298 150 A C -2.877 174.784 177.584 0.129 0.000 1.062 150 A CA -1.130 50.975 52.037 0.113 0.000 0.748 150 A CB 1.497 20.549 19.000 0.085 0.000 1.288 150 A HN 0.418 nan 8.150 nan 0.000 0.396 151 P HA 0.266 nan 4.420 nan 0.000 0.268 151 P C 1.004 178.427 177.300 0.205 0.000 1.204 151 P CA 0.575 63.766 63.100 0.152 0.000 0.768 151 P CB 1.247 33.017 31.700 0.117 0.000 0.842 152 A N 3.593 126.492 122.820 0.132 0.000 1.978 152 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 152 A C 1.120 178.818 177.584 0.191 0.000 1.170 152 A CA 1.936 54.046 52.037 0.123 0.000 0.636 152 A CB -0.983 18.060 19.000 0.072 0.000 0.810 152 A HN 0.734 nan 8.150 nan 0.000 0.448 153 T N -3.795 110.862 114.554 0.172 0.000 2.883 153 T HA 0.679 5.029 4.350 -0.000 0.000 0.301 153 T C -0.859 173.859 174.700 0.031 0.000 1.158 153 T CA -0.633 61.552 62.100 0.142 0.000 1.007 153 T CB 1.519 70.425 68.868 0.064 0.000 1.186 153 T HN 0.176 nan 8.240 nan 0.000 0.499 154 I N 1.708 122.218 120.570 -0.100 0.000 2.439 154 I HA 0.569 4.739 4.170 -0.000 0.000 0.283 154 I C 0.606 176.638 176.117 -0.141 0.000 1.023 154 I CA -1.130 60.054 61.300 -0.194 0.000 1.100 154 I CB 1.445 39.191 38.000 -0.423 0.000 1.238 154 I HN 1.026 nan 8.210 nan 0.000 0.445 155 A N 4.688 127.456 122.820 -0.088 0.000 2.346 155 A HA 0.711 5.031 4.320 -0.000 0.000 0.252 155 A C 0.637 178.180 177.584 -0.068 0.000 1.089 155 A CA -0.256 51.743 52.037 -0.063 0.000 0.797 155 A CB 0.456 19.433 19.000 -0.038 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.080 122.715 122.820 -0.040 0.000 2.567 156 A HA 0.458 4.778 4.320 -0.000 0.000 0.240 156 A C 1.612 179.177 177.584 -0.030 0.000 1.053 156 A CA 0.915 52.943 52.037 -0.016 0.000 0.755 156 A CB -1.000 18.021 19.000 0.035 0.000 0.978 156 A HN 2.753 nan 8.150 nan 0.000 0.507 157 G N 0.657 109.431 108.800 -0.043 0.000 2.176 157 G HA2 0.154 4.114 3.960 -0.000 0.000 0.253 157 G HA3 0.154 4.114 3.960 -0.000 0.000 0.253 157 G C 0.505 175.373 174.900 -0.055 0.000 0.979 157 G CA 0.613 45.685 45.100 -0.046 0.000 0.641 157 G HN 2.198 nan 8.290 nan 0.000 0.530 158 A N -0.612 122.166 122.820 -0.070 0.000 2.281 158 A HA 0.889 5.209 4.320 -0.000 0.000 0.329 158 A C 0.153 177.681 177.584 -0.093 0.000 1.122 158 A CA 0.500 52.495 52.037 -0.071 0.000 0.850 158 A CB 1.273 20.233 19.000 -0.067 0.000 1.207 158 A HN 0.699 nan 8.150 nan 0.000 0.495 159 T N 0.577 115.087 114.554 -0.074 0.000 2.812 159 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 159 T C 0.160 174.825 174.700 -0.059 0.000 0.990 159 T CA 0.017 62.073 62.100 -0.073 0.000 0.960 159 T CB 1.528 70.369 68.868 -0.045 0.000 0.948 159 T HN 1.053 nan 8.240 nan 0.000 0.438 160 G N 1.880 110.638 108.800 -0.070 0.000 2.432 160 G HA2 0.658 4.618 3.960 -0.000 0.000 0.331 160 G HA3 0.658 4.618 3.960 -0.000 0.000 0.331 160 G C -0.959 173.955 174.900 0.023 0.000 1.170 160 G CA -0.609 44.476 45.100 -0.025 0.000 0.943 160 G HN 0.488 nan 8.290 nan 0.000 0.483 161 E N 0.247 120.476 120.200 0.050 0.000 2.183 161 E HA 0.560 4.909 4.350 -0.000 0.000 0.271 161 E C -0.979 175.678 176.600 0.095 0.000 0.919 161 E CA -0.579 55.860 56.400 0.065 0.000 0.781 161 E CB 2.471 32.198 29.700 0.045 0.000 1.140 161 E HN 0.144 nan 8.360 nan 0.000 0.402 162 L N 1.106 122.396 121.223 0.111 0.000 2.370 162 L HA 0.525 4.865 4.340 -0.000 0.000 0.266 162 L C -0.012 176.915 176.870 0.095 0.000 1.002 162 L CA -0.616 54.297 54.840 0.122 0.000 0.818 162 L CB 2.077 44.240 42.059 0.172 0.000 1.325 162 L HN 0.547 nan 8.230 nan 0.000 0.418 163 T N -0.209 114.396 114.554 0.086 0.000 2.916 163 T HA 0.840 5.190 4.350 -0.000 0.000 0.298 163 T C -0.718 174.021 174.700 0.065 0.000 1.031 163 T CA -0.585 61.559 62.100 0.072 0.000 0.993 163 T CB 1.765 70.697 68.868 0.107 0.000 1.045 163 T HN 0.465 nan 8.240 nan 0.000 0.454 164 M N 2.531 122.137 119.600 0.010 0.000 2.470 164 M HA 0.713 5.193 4.480 -0.000 0.000 0.285 164 M C -2.479 173.756 176.300 -0.108 0.000 1.213 164 M CA -0.834 54.448 55.300 -0.030 0.000 0.901 164 M CB 1.925 34.482 32.600 -0.073 0.000 1.718 164 M HN 0.777 nan 8.290 nan 0.000 0.469 165 Y N 2.545 122.803 120.300 -0.069 0.000 2.462 165 Y HA 0.707 5.257 4.550 -0.000 0.000 0.346 165 Y C -1.561 174.373 175.900 0.056 0.000 0.976 165 Y CA -0.349 57.821 58.100 0.116 0.000 1.044 165 Y CB 2.103 40.690 38.460 0.212 0.000 1.230 165 Y HN 0.621 nan 8.280 nan 0.000 0.455 166 Y N 1.343 121.929 120.300 0.476 0.000 2.477 166 Y HA 0.266 4.816 4.550 -0.000 0.000 0.347 166 Y C -0.952 175.167 175.900 0.364 0.000 0.981 166 Y CA -1.513 56.768 58.100 0.301 0.000 1.033 166 Y CB 1.949 40.468 38.460 0.099 0.000 1.245 166 Y HN 0.648 nan 8.280 nan 0.000 0.455 167 W N 5.250 126.639 121.300 0.147 0.000 2.329 167 W HA 0.656 5.316 4.660 -0.000 0.000 0.312 167 W C -1.846 174.696 176.519 0.039 0.000 1.054 167 W CA -1.012 56.408 57.345 0.125 0.000 1.245 167 W CB 1.401 30.891 29.460 0.050 0.000 1.255 167 W HN 0.305 nan 8.180 nan 0.000 0.436 168 V N 9.446 129.076 119.914 -0.473 0.000 2.334 168 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 168 V C -1.597 173.994 176.094 -0.839 0.000 1.040 168 V CA -1.560 60.463 62.300 -0.462 0.000 0.866 168 V CB 0.892 32.576 31.823 -0.231 0.000 1.019 168 V HN 0.367 nan 8.190 nan 0.000 0.468 169 P HA 0.392 nan 4.420 nan 0.000 0.282 169 P C 0.046 177.219 177.300 -0.212 0.000 1.249 169 P CA -0.302 62.598 63.100 -0.334 0.000 0.806 169 P CB 2.499 34.323 31.700 0.206 0.000 0.984 170 L N 1.333 122.480 121.223 -0.127 0.000 2.675 170 L HA 0.326 4.666 4.340 -0.000 0.000 0.178 170 L C 1.370 178.363 176.870 0.205 0.000 1.135 170 L CA 0.103 54.892 54.840 -0.084 0.000 0.855 170 L CB -0.791 41.093 42.059 -0.292 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.919 121.996 122.820 0.158 0.000 2.407 171 A HA -0.007 4.313 4.320 -0.000 0.000 0.248 171 A C 0.516 178.266 177.584 0.276 0.000 1.082 171 A CA 0.015 52.170 52.037 0.197 0.000 0.785 171 A CB -0.004 19.074 19.000 0.129 0.000 1.020 171 A HN 0.357 nan 8.150 nan 0.000 0.489 172 Y N 2.262 122.565 120.300 0.006 0.000 2.200 172 Y HA -0.010 4.540 4.550 -0.000 0.000 0.290 172 Y C 1.273 177.141 175.900 -0.053 0.000 1.137 172 Y CA 1.727 59.662 58.100 -0.274 0.000 1.163 172 Y CB 0.008 38.324 38.460 -0.239 0.000 0.988 172 Y HN 0.876 nan 8.280 nan 0.000 0.518 173 S N -2.128 113.546 115.700 -0.043 0.000 2.790 173 S HA 0.250 4.720 4.470 -0.000 0.000 0.292 173 S C 0.492 175.075 174.600 -0.028 0.000 1.197 173 S CA -0.299 57.832 58.200 -0.116 0.000 0.851 173 S CB 1.261 64.370 63.200 -0.152 0.000 1.217 173 S HN 0.035 nan 8.310 nan 0.000 0.526 174 E N 0.659 120.813 120.200 -0.077 0.000 2.204 174 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 174 E C 1.588 178.163 176.600 -0.042 0.000 0.989 174 E CA 2.204 58.560 56.400 -0.073 0.000 0.824 174 E CB -0.324 29.304 29.700 -0.120 0.000 0.756 174 E HN 0.791 nan 8.360 nan 0.000 0.477 175 T N -3.216 111.325 114.554 -0.021 0.000 2.985 175 T HA 0.111 4.461 4.350 -0.000 0.000 0.254 175 T C 0.263 174.975 174.700 0.021 0.000 1.021 175 T CA -0.086 62.011 62.100 -0.006 0.000 0.957 175 T CB 0.175 69.039 68.868 -0.007 0.000 1.047 175 T HN -0.057 nan 8.240 nan 0.000 0.511 176 D N 1.238 121.673 120.400 0.058 0.000 2.441 176 D HA 0.310 4.949 4.640 -0.000 0.000 0.231 176 D C 0.647 176.990 176.300 0.072 0.000 1.073 176 D CA -0.717 53.331 54.000 0.080 0.000 0.850 176 D CB 0.957 41.871 40.800 0.190 0.000 1.062 176 D HN 0.204 nan 8.370 nan 0.000 0.524 177 L N 2.548 123.784 121.223 0.023 0.000 2.645 177 L HA 0.078 4.418 4.340 -0.000 0.000 0.235 177 L C 0.752 177.620 176.870 -0.002 0.000 1.150 177 L CA 0.195 55.047 54.840 0.020 0.000 0.911 177 L CB -0.386 41.676 42.059 0.004 0.000 1.077 177 L HN 0.264 nan 8.230 nan 0.000 0.438 178 T N 0.761 115.280 114.554 -0.057 0.000 2.871 178 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 178 T C 1.241 175.920 174.700 -0.034 0.000 0.998 178 T CA 1.012 62.999 62.100 -0.189 0.000 1.162 178 T CB 0.904 69.438 68.868 -0.556 0.000 0.947 178 T HN 0.622 nan 8.240 nan 0.000 0.536 179 G N 2.054 110.861 108.800 0.013 0.000 2.194 179 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.236 179 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.236 179 G C 0.366 175.372 174.900 0.177 0.000 0.987 179 G CA -0.047 45.164 45.100 0.185 0.000 0.635 179 G HN 1.147 nan 8.290 nan 0.000 0.520 180 A N -0.492 122.387 122.820 0.099 0.000 2.386 180 A HA 0.653 4.973 4.320 -0.000 0.000 0.246 180 A C 0.393 178.017 177.584 0.067 0.000 1.089 180 A CA 0.784 52.855 52.037 0.056 0.000 0.790 180 A CB 0.862 19.882 19.000 0.034 0.000 1.042 180 A HN 1.207 nan 8.150 nan 0.000 0.497 181 V N 1.615 121.546 119.914 0.029 0.000 2.487 181 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 181 V C -0.574 175.551 176.094 0.050 0.000 1.028 181 V CA -0.505 61.834 62.300 0.064 0.000 0.860 181 V CB 1.411 33.273 31.823 0.065 0.000 0.991 181 V HN 0.778 nan 8.190 nan 0.000 0.427 182 L N 5.397 126.657 121.223 0.061 0.000 2.283 182 L HA 0.706 5.046 4.340 -0.000 0.000 0.287 182 L C 0.497 177.398 176.870 0.051 0.000 1.073 182 L CA 0.153 55.018 54.840 0.042 0.000 0.822 182 L CB 0.740 42.828 42.059 0.048 0.000 1.186 182 L HN 0.740 nan 8.230 nan 0.000 0.436 183 A N 5.051 127.890 122.820 0.032 0.000 2.786 183 A HA 0.395 4.714 4.320 -0.000 0.000 0.346 183 A C 0.212 177.805 177.584 0.016 0.000 1.265 183 A CA -0.360 51.696 52.037 0.032 0.000 0.858 183 A CB -0.589 18.431 19.000 0.034 0.000 1.118 183 A HN 0.901 nan 8.150 nan 0.000 0.482 184 N N 0.449 119.173 118.700 0.040 0.000 2.299 184 N HA 0.180 4.920 4.740 -0.000 0.000 0.246 184 N C -0.926 174.617 175.510 0.056 0.000 1.254 184 N CA -0.271 52.810 53.050 0.053 0.000 0.879 184 N CB 1.127 39.675 38.487 0.102 0.000 1.214 184 N HN 0.122 nan 8.380 nan 0.000 0.510 185 V N 2.434 122.374 119.914 0.042 0.000 2.270 185 V HA 0.247 4.367 4.120 -0.000 0.000 0.263 185 V C -1.337 174.771 176.094 0.023 0.000 1.066 185 V CA -1.382 60.939 62.300 0.035 0.000 0.857 185 V CB 1.065 32.908 31.823 0.034 0.000 1.099 185 V HN 0.034 nan 8.190 nan 0.000 0.476 186 P HA -0.242 nan 4.420 nan 0.000 0.222 186 P C 1.171 178.475 177.300 0.007 0.000 1.154 186 P CA 1.637 64.745 63.100 0.013 0.000 0.874 186 P CB 0.214 31.924 31.700 0.015 0.000 0.787 187 Q N -2.142 117.662 119.800 0.006 0.000 2.247 187 Q HA 0.182 4.521 4.340 -0.000 0.000 0.211 187 Q C -0.144 175.853 176.000 -0.005 0.000 0.861 187 Q CA 0.058 55.861 55.803 -0.000 0.000 0.949 187 Q CB 0.502 29.239 28.738 -0.001 0.000 1.115 187 Q HN 0.098 nan 8.270 nan 0.000 0.507 188 S N 2.315 118.014 115.700 -0.001 0.000 2.520 188 S HA 0.217 4.687 4.470 -0.000 0.000 0.324 188 S C -0.406 174.189 174.600 -0.008 0.000 1.069 188 S CA -0.721 57.475 58.200 -0.005 0.000 1.121 188 S CB 0.483 63.687 63.200 0.006 0.000 0.971 188 S HN 0.183 nan 8.310 nan 0.000 0.463 189 K N 2.810 123.195 120.400 -0.025 0.000 2.118 189 K HA 0.408 4.728 4.320 -0.000 0.000 0.264 189 K C -0.382 176.186 176.600 -0.053 0.000 1.000 189 K CA -0.768 55.501 56.287 -0.031 0.000 0.929 189 K CB 0.979 33.455 32.500 -0.041 0.000 1.021 189 K HN 0.432 nan 8.250 nan 0.000 0.463 190 Q N 1.039 120.813 119.800 -0.045 0.000 2.199 190 Q HA 0.366 4.706 4.340 -0.000 0.000 0.232 190 Q C -0.652 175.253 176.000 -0.158 0.000 0.969 190 Q CA -0.756 54.981 55.803 -0.110 0.000 0.925 190 Q CB 1.343 30.091 28.738 0.018 0.000 1.198 190 Q HN 0.442 nan 8.270 nan 0.000 0.494 191 R N 0.864 121.197 120.500 -0.278 0.000 2.515 191 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 191 R C -1.744 174.424 176.300 -0.220 0.000 1.046 191 R CA -0.772 55.210 56.100 -0.197 0.000 0.914 191 R CB 1.328 31.537 30.300 -0.153 0.000 1.191 191 R HN 0.356 nan 8.270 nan 0.000 0.435 192 L N 3.514 124.621 121.223 -0.194 0.000 2.324 192 L HA 0.397 4.737 4.340 -0.000 0.000 0.274 192 L C -0.702 176.057 176.870 -0.184 0.000 1.012 192 L CA -0.223 54.488 54.840 -0.216 0.000 0.859 192 L CB 1.039 42.834 42.059 -0.439 0.000 1.224 192 L HN 0.426 nan 8.230 nan 0.000 0.429 193 K N 5.625 125.944 120.400 -0.135 0.000 2.227 193 K HA 0.544 4.864 4.320 -0.000 0.000 0.280 193 K C -1.463 175.003 176.600 -0.223 0.000 1.041 193 K CA -0.494 55.713 56.287 -0.133 0.000 0.905 193 K CB 0.665 33.129 32.500 -0.060 0.000 1.068 193 K HN 0.687 nan 8.250 nan 0.000 0.470 194 L N 4.533 125.597 121.223 -0.266 0.000 2.325 194 L HA 0.364 4.704 4.340 -0.000 0.000 0.281 194 L C -0.490 176.127 176.870 -0.422 0.000 1.004 194 L CA -0.600 53.951 54.840 -0.482 0.000 0.823 194 L CB 1.798 43.438 42.059 -0.698 0.000 1.236 194 L HN 0.609 nan 8.230 nan 0.000 0.415 195 E N 3.791 123.727 120.200 -0.441 0.000 2.114 195 E HA 0.390 4.739 4.350 -0.000 0.000 0.266 195 E C -1.104 175.316 176.600 -0.299 0.000 0.896 195 E CA -0.464 55.792 56.400 -0.239 0.000 0.750 195 E CB 1.434 31.045 29.700 -0.147 0.000 1.121 195 E HN 0.256 nan 8.360 nan 0.000 0.413 196 F N 1.305 121.277 119.950 0.036 0.000 2.370 196 F HA 0.403 4.930 4.527 -0.000 0.000 0.319 196 F C 1.110 176.932 175.800 0.036 0.000 1.129 196 F CA -0.732 57.302 58.000 0.057 0.000 1.109 196 F CB 0.651 39.761 39.000 0.184 0.000 1.262 196 F HN 0.396 nan 8.300 nan 0.000 0.534 197 A N 1.659 124.618 122.820 0.232 0.000 2.406 197 A HA 0.437 4.757 4.320 -0.000 0.000 0.243 197 A C -0.255 177.376 177.584 0.079 0.000 1.082 197 A CA -0.264 51.871 52.037 0.163 0.000 0.786 197 A CB -0.087 19.062 19.000 0.249 0.000 1.029 197 A HN 0.857 nan 8.150 nan 0.000 0.495 198 N N -0.630 118.187 118.700 0.194 0.000 3.102 198 N HA 0.234 4.974 4.740 -0.000 0.000 0.299 198 N C -0.043 175.716 175.510 0.416 0.000 1.482 198 N CA -0.822 52.377 53.050 0.248 0.000 0.785 198 N CB 0.102 38.701 38.487 0.186 0.000 1.680 198 N HN 0.293 nan 8.380 nan 0.000 0.594 199 N N -0.293 118.679 118.700 0.454 0.000 2.272 199 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 199 N C 0.888 176.581 175.510 0.306 0.000 1.014 199 N CA 1.085 54.416 53.050 0.468 0.000 0.870 199 N CB -0.606 38.141 38.487 0.433 0.000 0.975 199 N HN 0.682 nan 8.380 nan 0.000 0.433 200 N N 0.300 119.126 118.700 0.211 0.000 2.135 200 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 200 N C 1.696 177.268 175.510 0.103 0.000 1.027 200 N CA 2.057 55.199 53.050 0.154 0.000 0.849 200 N CB -0.418 38.144 38.487 0.124 0.000 1.002 200 N HN 0.313 nan 8.380 nan 0.000 0.425 201 T N -2.835 111.770 114.554 0.085 0.000 2.942 201 T HA 0.161 4.511 4.350 -0.000 0.000 0.265 201 T C 1.854 176.531 174.700 -0.038 0.000 1.062 201 T CA 0.932 63.063 62.100 0.052 0.000 1.139 201 T CB -0.524 68.395 68.868 0.085 0.000 0.883 201 T HN 0.209 nan 8.240 nan 0.000 0.468 202 A N 0.583 123.284 122.820 -0.198 0.000 2.067 202 A HA 0.406 4.726 4.320 -0.000 0.000 0.217 202 A C 0.272 177.410 177.584 -0.743 0.000 1.156 202 A CA 0.122 51.826 52.037 -0.554 0.000 0.683 202 A CB -0.406 18.046 19.000 -0.912 0.000 0.808 202 A HN 0.526 nan 8.150 nan 0.000 0.455 203 F N -0.529 119.474 119.950 0.088 0.000 2.449 203 F HA 0.671 5.198 4.527 -0.000 0.000 0.342 203 F C 0.269 176.100 175.800 0.052 0.000 1.127 203 F CA -1.487 56.550 58.000 0.062 0.000 0.975 203 F CB 1.423 40.440 39.000 0.029 0.000 1.146 203 F HN 0.082 nan 8.300 nan 0.000 0.444 204 A N 2.095 125.028 122.820 0.188 0.000 2.318 204 A HA 0.872 5.192 4.320 -0.000 0.000 0.324 204 A C -0.146 177.495 177.584 0.094 0.000 1.170 204 A CA -0.566 51.537 52.037 0.109 0.000 0.810 204 A CB 0.649 19.680 19.000 0.052 0.000 1.198 204 A HN 0.943 nan 8.150 nan 0.000 0.484 205 A N 1.667 124.530 122.820 0.072 0.000 2.346 205 A HA 0.531 4.851 4.320 -0.000 0.000 0.252 205 A C 0.438 178.039 177.584 0.028 0.000 1.089 205 A CA -0.291 51.773 52.037 0.045 0.000 0.797 205 A CB -0.023 19.002 19.000 0.042 0.000 1.047 205 A HN 1.206 nan 8.150 nan 0.000 0.494 206 V N 1.073 120.994 119.914 0.011 0.000 2.694 206 V HA 0.357 4.476 4.120 -0.000 0.000 0.306 206 V C 1.723 177.822 176.094 0.008 0.000 1.054 206 V CA 1.862 64.165 62.300 0.005 0.000 1.161 206 V CB 0.062 31.881 31.823 -0.006 0.000 0.916 206 V HN 1.975 nan 8.190 nan 0.000 0.490 207 G N 3.214 112.018 108.800 0.006 0.000 2.234 207 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.260 207 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.260 207 G C 0.430 175.335 174.900 0.008 0.000 0.987 207 G CA 0.341 45.443 45.100 0.003 0.000 0.625 207 G HN 1.527 nan 8.290 nan 0.000 0.532 208 A N -0.208 122.622 122.820 0.017 0.000 2.271 208 A HA 0.647 4.967 4.320 -0.000 0.000 0.288 208 A C 0.526 178.126 177.584 0.027 0.000 1.094 208 A CA 0.127 52.178 52.037 0.023 0.000 0.828 208 A CB 0.376 19.397 19.000 0.034 0.000 1.091 208 A HN 0.531 nan 8.150 nan 0.000 0.493 209 N N 1.231 119.950 118.700 0.033 0.000 2.431 209 N HA 0.129 4.868 4.740 -0.000 0.000 0.265 209 N C -1.682 173.848 175.510 0.034 0.000 1.184 209 N CA -1.450 51.634 53.050 0.057 0.000 0.943 209 N CB 0.981 39.504 38.487 0.059 0.000 1.080 209 N HN 0.346 nan 8.380 nan 0.000 0.477 210 P HA -0.035 nan 4.420 nan 0.000 0.249 210 P C 1.551 178.672 177.300 -0.299 0.000 1.229 210 P CA -0.088 62.935 63.100 -0.128 0.000 0.788 210 P CB 0.456 32.055 31.700 -0.168 0.000 1.072 211 L N 1.560 122.624 121.223 -0.266 0.000 2.010 211 L HA -0.202 4.138 4.340 -0.000 0.000 0.219 211 L C 1.713 178.394 176.870 -0.316 0.000 1.077 211 L CA 2.193 56.767 54.840 -0.444 0.000 0.773 211 L CB -1.035 40.987 42.059 -0.062 0.000 0.892 211 L HN -0.056 nan 8.230 nan 0.000 0.436 212 E N -0.673 119.489 120.200 -0.063 0.000 2.481 212 E HA 0.312 4.662 4.350 -0.000 0.000 0.198 212 E C 0.476 177.102 176.600 0.044 0.000 1.027 212 E CA 0.171 56.619 56.400 0.081 0.000 0.900 212 E CB 0.214 30.003 29.700 0.149 0.000 0.993 212 E HN 0.586 nan 8.360 nan 0.000 0.482 213 A N 0.589 123.384 122.820 -0.042 0.000 2.271 213 A HA 0.396 4.716 4.320 -0.000 0.000 0.288 213 A C 0.782 178.321 177.584 -0.076 0.000 1.094 213 A CA -0.358 51.646 52.037 -0.056 0.000 0.828 213 A CB 0.487 19.458 19.000 -0.048 0.000 1.091 213 A HN 0.123 nan 8.150 nan 0.000 0.493 214 I N -1.383 119.127 120.570 -0.099 0.000 3.039 214 I HA 0.117 4.286 4.170 -0.000 0.000 0.270 214 I C -0.395 175.515 176.117 -0.345 0.000 1.150 214 I CA 0.656 61.859 61.300 -0.162 0.000 1.448 214 I CB 0.009 37.964 38.000 -0.074 0.000 1.197 214 I HN 0.581 nan 8.210 nan 0.000 0.450 215 Y N 0.427 120.751 120.300 0.039 0.000 2.499 215 Y HA 0.564 5.114 4.550 -0.000 0.000 0.347 215 Y C -0.269 175.693 175.900 0.102 0.000 0.987 215 Y CA -0.795 57.368 58.100 0.104 0.000 1.044 215 Y CB 1.722 40.306 38.460 0.206 0.000 1.245 215 Y HN -0.065 nan 8.280 nan 0.000 0.461 216 Q N 1.527 121.448 119.800 0.203 0.000 2.331 216 Q HA 0.762 5.102 4.340 -0.000 0.000 0.272 216 Q C -1.012 175.042 176.000 0.090 0.000 1.062 216 Q CA -0.635 55.239 55.803 0.118 0.000 0.806 216 Q CB 2.550 31.312 28.738 0.040 0.000 1.312 216 Q HN 0.968 nan 8.270 nan 0.000 0.431 217 G N 0.479 109.308 108.800 0.049 0.000 2.316 217 G HA2 0.381 4.341 3.960 -0.000 0.000 0.296 217 G HA3 0.381 4.341 3.960 -0.000 0.000 0.296 217 G C -0.373 174.493 174.900 -0.057 0.000 1.399 217 G CA -0.136 44.962 45.100 -0.003 0.000 0.833 217 G HN 0.679 nan 8.290 nan 0.000 0.565 218 A N -0.858 121.896 122.820 -0.109 0.000 2.178 218 A HA 0.355 4.675 4.320 -0.000 0.000 0.218 218 A C 2.152 179.503 177.584 -0.389 0.000 1.157 218 A CA 2.514 54.440 52.037 -0.185 0.000 0.689 218 A CB -0.366 18.529 19.000 -0.175 0.000 0.787 218 A HN 1.912 nan 8.150 nan 0.000 0.465 219 G N -1.712 106.866 108.800 -0.369 0.000 3.189 219 G HA2 0.336 4.296 3.960 -0.000 0.000 0.225 219 G HA3 0.336 4.296 3.960 -0.000 0.000 0.225 219 G C 1.306 176.109 174.900 -0.161 0.000 1.159 219 G CA 0.834 45.664 45.100 -0.450 0.000 0.763 219 G HN 0.582 nan 8.290 nan 0.000 0.549 220 A N 1.541 124.303 122.820 -0.097 0.000 1.892 220 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 220 A C 2.769 180.340 177.584 -0.021 0.000 1.188 220 A CA 2.343 54.364 52.037 -0.027 0.000 0.631 220 A CB -0.776 18.272 19.000 0.080 0.000 0.822 220 A HN 0.830 nan 8.150 nan 0.000 0.447 221 A N -0.725 122.115 122.820 0.033 0.000 2.024 221 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 221 A C 1.371 178.962 177.584 0.013 0.000 1.164 221 A CA 1.798 53.866 52.037 0.052 0.000 0.643 221 A CB -0.359 18.687 19.000 0.077 0.000 0.806 221 A HN 0.491 nan 8.150 nan 0.000 0.451 222 D N -1.211 119.188 120.400 -0.002 0.000 2.388 222 D HA 0.185 4.825 4.640 -0.000 0.000 0.221 222 D C -0.385 175.801 176.300 -0.191 0.000 1.133 222 D CA -0.028 53.939 54.000 -0.055 0.000 0.831 222 D CB -0.127 40.670 40.800 -0.005 0.000 0.962 222 D HN 0.283 nan 8.370 nan 0.000 0.502 223 C N 1.150 120.216 119.300 -0.389 0.000 2.401 223 C HA 0.473 4.933 4.460 -0.000 0.000 0.365 223 C C 0.606 175.169 174.990 -0.713 0.000 1.250 223 C CA -0.473 58.070 59.018 -0.792 0.000 2.131 223 C CB 0.804 27.579 27.740 -1.607 0.000 2.445 223 C HN 0.205 nan 8.230 nan 0.000 0.550 224 E N 0.619 120.519 120.200 -0.500 0.000 2.343 224 E HA 0.374 4.723 4.350 -0.000 0.000 0.278 224 E C -1.411 175.204 176.600 0.025 0.000 0.910 224 E CA -0.539 55.814 56.400 -0.079 0.000 0.757 224 E CB 1.510 31.213 29.700 0.004 0.000 1.218 224 E HN 0.443 nan 8.360 nan 0.000 0.435 225 F N 1.786 121.886 119.950 0.250 0.000 2.459 225 F HA 0.064 4.591 4.527 -0.000 0.000 0.346 225 F C 1.799 177.637 175.800 0.064 0.000 1.128 225 F CA 0.343 58.446 58.000 0.172 0.000 1.268 225 F CB 0.715 39.800 39.000 0.141 0.000 1.161 225 F HN 0.492 nan 8.300 nan 0.000 0.583 226 E N 1.114 121.448 120.200 0.223 0.000 2.201 226 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 226 E C -0.157 176.480 176.600 0.062 0.000 0.957 226 E CA 0.588 57.050 56.400 0.103 0.000 0.858 226 E CB 0.330 30.060 29.700 0.049 0.000 0.816 226 E HN 0.813 nan 8.360 nan 0.000 0.475 227 E N -0.558 119.671 120.200 0.049 0.000 2.403 227 E HA 0.500 4.850 4.350 -0.000 0.000 0.280 227 E C -1.152 175.291 176.600 -0.262 0.000 1.101 227 E CA -0.527 55.786 56.400 -0.145 0.000 0.856 227 E CB 0.927 30.539 29.700 -0.147 0.000 1.303 227 E HN -0.132 nan 8.360 nan 0.000 0.441 228 I N 0.891 121.052 120.570 -0.681 0.000 2.686 228 I HA 0.510 4.680 4.170 -0.000 0.000 0.295 228 I C -0.965 174.616 176.117 -0.893 0.000 1.114 228 I CA -0.857 59.969 61.300 -0.791 0.000 1.038 228 I CB 2.407 39.712 38.000 -1.159 0.000 1.238 228 I HN 0.535 nan 8.210 nan 0.000 0.420 229 S N 3.591 118.995 115.700 -0.492 0.000 2.548 229 S HA 0.725 5.195 4.470 -0.000 0.000 0.286 229 S C -1.512 172.981 174.600 -0.180 0.000 1.098 229 S CA -0.586 57.398 58.200 -0.361 0.000 0.930 229 S CB 1.973 65.031 63.200 -0.235 0.000 1.070 229 S HN 0.515 nan 8.310 nan 0.000 0.480 230 Y N -1.084 119.121 120.300 -0.159 0.000 2.553 230 Y HA 0.861 5.410 4.550 -0.000 0.000 0.347 230 Y C -0.904 174.969 175.900 -0.045 0.000 1.019 230 Y CA -0.890 57.182 58.100 -0.048 0.000 1.032 230 Y CB 1.147 39.657 38.460 0.083 0.000 1.284 230 Y HN 0.421 nan 8.280 nan 0.000 0.466 231 T N 3.026 117.709 114.554 0.216 0.000 2.937 231 T HA 0.510 4.859 4.350 -0.000 0.000 0.297 231 T C -1.426 173.369 174.700 0.159 0.000 0.991 231 T CA -0.643 61.500 62.100 0.073 0.000 0.990 231 T CB 1.397 70.247 68.868 -0.030 0.000 0.991 231 T HN 0.623 nan 8.240 nan 0.000 0.440 232 V N 4.231 124.217 119.914 0.119 0.000 2.394 232 V HA 0.473 4.592 4.120 -0.000 0.000 0.282 232 V C -1.089 175.035 176.094 0.050 0.000 1.031 232 V CA -0.733 61.663 62.300 0.159 0.000 0.881 232 V CB 0.722 32.632 31.823 0.145 0.000 0.982 232 V HN 0.802 nan 8.190 nan 0.000 0.451 233 Y N 3.007 123.489 120.300 0.303 0.000 2.352 233 Y HA 0.503 5.053 4.550 -0.000 0.000 0.339 233 Y C 0.299 176.395 175.900 0.326 0.000 0.992 233 Y CA -0.365 57.909 58.100 0.290 0.000 1.100 233 Y CB 1.699 40.323 38.460 0.272 0.000 1.192 233 Y HN 0.559 nan 8.280 nan 0.000 0.458 234 Q N 2.089 122.151 119.800 0.437 0.000 2.290 234 Q HA 0.445 4.784 4.340 -0.000 0.000 0.259 234 Q C -0.924 175.225 176.000 0.248 0.000 0.941 234 Q CA -0.559 55.408 55.803 0.272 0.000 0.912 234 Q CB 1.331 30.271 28.738 0.337 0.000 1.244 234 Q HN 0.662 nan 8.270 nan 0.000 0.441 235 S N 4.198 119.941 115.700 0.071 0.000 2.442 235 S HA 0.625 5.095 4.470 -0.000 0.000 0.297 235 S C -1.391 173.270 174.600 0.101 0.000 1.131 235 S CA -0.355 57.912 58.200 0.112 0.000 1.092 235 S CB 0.220 63.595 63.200 0.291 0.000 0.998 235 S HN 0.559 nan 8.310 nan 0.000 0.478 236 Y N 2.091 122.379 120.300 -0.021 0.000 2.705 236 Y HA 0.712 5.262 4.550 -0.000 0.000 0.332 236 Y C -1.883 174.003 175.900 -0.023 0.000 1.221 236 Y CA -1.560 56.516 58.100 -0.039 0.000 1.059 236 Y CB 0.820 39.257 38.460 -0.037 0.000 1.298 236 Y HN 0.403 nan 8.280 nan 0.000 0.459 237 L N 2.399 123.712 121.223 0.150 0.000 2.313 237 L HA 0.485 4.824 4.340 -0.000 0.000 0.283 237 L C -0.945 176.027 176.870 0.171 0.000 1.013 237 L CA -0.555 54.315 54.840 0.049 0.000 0.816 237 L CB 1.442 43.507 42.059 0.010 0.000 1.236 237 L HN 0.667 nan 8.230 nan 0.000 0.419 238 D N 1.610 122.091 120.400 0.136 0.000 2.442 238 D HA 0.250 4.890 4.640 -0.000 0.000 0.254 238 D C -0.337 176.023 176.300 0.100 0.000 1.069 238 D CA 0.037 54.146 54.000 0.181 0.000 1.017 238 D CB 1.175 42.122 40.800 0.245 0.000 1.172 238 D HN 0.304 nan 8.370 nan 0.000 0.561 239 Q N 0.135 119.985 119.800 0.084 0.000 2.459 239 Q HA -0.176 4.164 4.340 -0.000 0.000 0.322 239 Q C -0.625 175.391 176.000 0.027 0.000 1.427 239 Q CA 0.385 56.227 55.803 0.065 0.000 0.861 239 Q CB -1.742 27.044 28.738 0.079 0.000 1.137 239 Q HN 0.461 nan 8.270 nan 0.000 0.394 240 L N 2.155 123.343 121.223 -0.057 0.000 2.499 240 L HA 0.138 4.478 4.340 -0.000 0.000 0.273 240 L C -1.160 175.701 176.870 -0.016 0.000 1.195 240 L CA -1.287 53.466 54.840 -0.145 0.000 0.882 240 L CB -0.095 41.662 42.059 -0.503 0.000 1.133 240 L HN 0.020 nan 8.230 nan 0.000 0.483 241 P HA 0.058 nan 4.420 nan 0.000 0.268 241 P C -0.755 176.653 177.300 0.179 0.000 1.204 241 P CA -0.068 63.086 63.100 0.089 0.000 0.768 241 P CB 1.179 32.913 31.700 0.056 0.000 0.842 242 V N 3.077 123.098 119.914 0.177 0.000 2.581 242 V HA 0.738 4.858 4.120 -0.000 0.000 0.303 242 V C 0.924 177.072 176.094 0.090 0.000 1.041 242 V CA -0.063 62.343 62.300 0.176 0.000 0.907 242 V CB 1.651 33.555 31.823 0.135 0.000 0.994 242 V HN 0.893 nan 8.190 nan 0.000 0.442 243 G N 1.948 110.789 108.800 0.068 0.000 3.247 243 G HA2 0.574 4.534 3.960 -0.000 0.000 0.226 243 G HA3 0.574 4.534 3.960 -0.000 0.000 0.226 243 G C -0.194 174.719 174.900 0.021 0.000 1.220 243 G CA 0.223 45.348 45.100 0.042 0.000 0.875 243 G HN 0.772 nan 8.290 nan 0.000 0.606 244 Q N -1.446 118.364 119.800 0.017 0.000 3.184 244 Q HA 0.512 4.852 4.340 -0.000 0.000 0.288 244 Q C 0.469 176.472 176.000 0.005 0.000 1.412 244 Q CA 0.824 56.631 55.803 0.008 0.000 0.991 244 Q CB -1.362 27.381 28.738 0.008 0.000 1.688 244 Q HN 2.149 nan 8.270 nan 0.000 0.554 245 N N -1.824 116.876 118.700 -0.001 0.000 3.383 245 N HA 0.455 5.195 4.740 -0.000 0.000 0.149 245 N C 1.146 176.646 175.510 -0.016 0.000 1.122 245 N CA 0.813 53.860 53.050 -0.005 0.000 2.933 245 N CB -1.078 37.414 38.487 0.008 0.000 1.193 245 N HN 2.029 nan 8.380 nan 0.000 0.838 246 G N -0.400 108.380 108.800 -0.033 0.000 2.508 246 G HA2 0.032 3.992 3.960 -0.000 0.000 0.220 246 G HA3 0.032 3.992 3.960 -0.000 0.000 0.220 246 G C -0.526 174.378 174.900 0.007 0.000 1.287 246 G CA -0.116 44.926 45.100 -0.095 0.000 0.916 246 G HN 1.193 nan 8.290 nan 0.000 0.574 247 Y N 0.623 120.934 120.300 0.017 0.000 2.717 247 Y HA 0.355 4.904 4.550 -0.000 0.000 0.330 247 Y C 1.617 177.528 175.900 0.017 0.000 1.217 247 Y CA -0.232 57.880 58.100 0.020 0.000 1.506 247 Y CB 0.028 38.502 38.460 0.023 0.000 1.268 247 Y HN 0.432 nan 8.280 nan 0.000 0.561 248 I N 6.137 126.825 120.570 0.195 0.000 2.322 248 I HA 0.162 4.332 4.170 -0.000 0.000 0.292 248 I C -0.491 175.672 176.117 0.077 0.000 1.060 248 I CA 0.161 61.523 61.300 0.102 0.000 1.309 248 I CB -0.019 38.024 38.000 0.072 0.000 1.415 248 I HN 0.315 nan 8.210 nan 0.000 0.492 249 L N 8.707 129.970 121.223 0.067 0.000 2.401 249 L HA 0.499 4.839 4.340 -0.000 0.000 0.266 249 L C -2.412 174.473 176.870 0.024 0.000 0.991 249 L CA -1.878 52.987 54.840 0.042 0.000 0.818 249 L CB 2.443 44.538 42.059 0.060 0.000 1.321 249 L HN 0.348 nan 8.230 nan 0.000 0.413 250 P HA 0.157 nan 4.420 nan 0.000 0.268 250 P C 0.726 178.023 177.300 -0.005 0.000 1.541 250 P CA -0.227 62.870 63.100 -0.004 0.000 1.093 250 P CB 0.628 32.319 31.700 -0.015 0.000 1.551 251 L N 2.663 123.886 121.223 0.000 0.000 2.079 251 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 251 L C 2.397 179.258 176.870 -0.014 0.000 1.081 251 L CA 1.452 56.293 54.840 0.002 0.000 0.752 251 L CB -0.569 41.495 42.059 0.007 0.000 0.896 251 L HN 0.270 nan 8.230 nan 0.000 0.433 252 I N -0.505 120.046 120.570 -0.032 0.000 2.286 252 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 252 I C 2.093 178.163 176.117 -0.079 0.000 1.104 252 I CA 0.987 62.253 61.300 -0.056 0.000 1.397 252 I CB -0.419 37.538 38.000 -0.071 0.000 1.072 252 I HN 0.203 nan 8.210 nan 0.000 0.417 253 D N 1.310 121.664 120.400 -0.078 0.000 2.106 253 D HA -0.168 4.472 4.640 -0.000 0.000 0.191 253 D C 2.177 178.449 176.300 -0.047 0.000 0.997 253 D CA 1.448 55.394 54.000 -0.089 0.000 0.834 253 D CB -0.355 40.409 40.800 -0.060 0.000 0.956 253 D HN 0.272 nan 8.370 nan 0.000 0.448 254 L N 0.306 121.521 121.223 -0.012 0.000 2.551 254 L HA -0.006 4.334 4.340 -0.000 0.000 0.228 254 L C 1.514 178.405 176.870 0.034 0.000 1.153 254 L CA 0.690 55.544 54.840 0.023 0.000 0.851 254 L CB -0.209 41.868 42.059 0.031 0.000 0.959 254 L HN 0.027 nan 8.230 nan 0.000 0.451 255 S N -3.212 112.491 115.700 0.005 0.000 2.663 255 S HA 0.180 4.650 4.470 -0.000 0.000 0.243 255 S C 0.499 175.089 174.600 -0.016 0.000 1.009 255 S CA -0.556 57.649 58.200 0.008 0.000 0.988 255 S CB 0.173 63.375 63.200 0.004 0.000 0.896 255 S HN 0.084 nan 8.310 nan 0.000 0.502 256 T N 2.844 117.376 114.554 -0.037 0.000 2.855 256 T HA 0.596 4.946 4.350 -0.000 0.000 0.281 256 T C -0.552 174.131 174.700 -0.029 0.000 1.007 256 T CA -0.600 61.458 62.100 -0.071 0.000 1.009 256 T CB 1.338 70.091 68.868 -0.192 0.000 0.983 256 T HN 0.252 nan 8.240 nan 0.000 0.455 257 L N 3.010 124.215 121.223 -0.030 0.000 2.295 257 L HA 0.496 4.836 4.340 -0.000 0.000 0.285 257 L C -0.993 175.955 176.870 0.131 0.000 1.035 257 L CA -1.125 53.680 54.840 -0.059 0.000 0.806 257 L CB 0.825 42.735 42.059 -0.249 0.000 1.214 257 L HN 0.625 nan 8.230 nan 0.000 0.426 258 Y N 4.175 124.521 120.300 0.077 0.000 2.388 258 Y HA 0.486 5.036 4.550 -0.000 0.000 0.328 258 Y C -0.890 174.960 175.900 -0.083 0.000 0.963 258 Y CA -1.152 57.048 58.100 0.167 0.000 1.240 258 Y CB 0.659 39.348 38.460 0.382 0.000 1.118 258 Y HN 0.532 nan 8.280 nan 0.000 0.484 259 N N 4.993 123.259 118.700 -0.723 0.000 2.312 259 N HA 0.556 5.296 4.740 -0.000 0.000 0.296 259 N C -1.911 173.089 175.510 -0.850 0.000 1.193 259 N CA -0.624 51.931 53.050 -0.826 0.000 0.773 259 N CB 2.285 40.282 38.487 -0.815 0.000 1.435 259 N HN 0.479 nan 8.380 nan 0.000 0.484 260 L N 0.697 121.619 121.223 -0.500 0.000 2.362 260 L HA 0.525 4.864 4.340 -0.000 0.000 0.271 260 L C 0.022 176.875 176.870 -0.028 0.000 1.002 260 L CA -0.221 54.494 54.840 -0.209 0.000 0.818 260 L CB 1.449 43.344 42.059 -0.273 0.000 1.298 260 L HN 0.481 nan 8.230 nan 0.000 0.420 261 E N 1.944 122.272 120.200 0.212 0.000 2.412 261 E HA 0.481 4.831 4.350 -0.000 0.000 0.279 261 E C -1.533 175.165 176.600 0.164 0.000 0.984 261 E CA -0.916 55.605 56.400 0.203 0.000 0.788 261 E CB 2.946 32.833 29.700 0.311 0.000 1.277 261 E HN 0.642 nan 8.360 nan 0.000 0.455 262 N N -0.127 118.604 118.700 0.051 0.000 2.357 262 N HA 0.538 5.278 4.740 -0.000 0.000 0.284 262 N C -1.276 174.265 175.510 0.053 0.000 1.236 262 N CA -0.604 52.406 53.050 -0.066 0.000 0.774 262 N CB 2.032 40.355 38.487 -0.272 0.000 1.534 262 N HN 0.483 nan 8.380 nan 0.000 0.478 263 S N -1.292 114.449 115.700 0.068 0.000 2.625 263 S HA 0.873 5.343 4.470 -0.000 0.000 0.271 263 S C -1.458 173.212 174.600 0.118 0.000 1.161 263 S CA -0.970 57.298 58.200 0.112 0.000 0.820 263 S CB 1.228 64.519 63.200 0.151 0.000 1.137 263 S HN 1.035 nan 8.310 nan 0.000 0.470 264 A N 0.934 123.828 122.820 0.123 0.000 2.342 264 A HA 0.817 5.137 4.320 -0.000 0.000 0.323 264 A C -1.003 176.659 177.584 0.131 0.000 1.125 264 A CA -0.678 51.438 52.037 0.132 0.000 0.785 264 A CB 1.246 20.324 19.000 0.131 0.000 1.221 264 A HN 0.620 nan 8.150 nan 0.000 0.463 265 Q N 0.299 120.194 119.800 0.159 0.000 2.356 265 Q HA 0.725 5.065 4.340 -0.000 0.000 0.270 265 Q C -0.601 175.541 176.000 0.237 0.000 1.058 265 Q CA -0.436 55.506 55.803 0.232 0.000 0.802 265 Q CB 2.229 31.155 28.738 0.313 0.000 1.303 265 Q HN 0.985 nan 8.270 nan 0.000 0.444 266 A N -0.263 122.702 122.820 0.242 0.000 2.435 266 A HA 0.913 5.233 4.320 -0.000 0.000 0.296 266 A C 0.289 177.975 177.584 0.170 0.000 1.147 266 A CA -0.171 51.916 52.037 0.083 0.000 0.775 266 A CB 1.557 20.586 19.000 0.048 0.000 1.340 266 A HN 0.975 nan 8.150 nan 0.000 0.427 267 G N -0.815 107.969 108.800 -0.026 0.000 2.157 267 G HA2 0.030 3.990 3.960 -0.000 0.000 0.118 267 G HA3 0.030 3.990 3.960 -0.000 0.000 0.118 267 G C -0.480 174.390 174.900 -0.050 0.000 1.032 267 G CA -0.121 45.034 45.100 0.091 0.000 0.697 267 G HN 0.746 nan 8.290 nan 0.000 0.495 268 L N 1.868 122.842 121.223 -0.415 0.000 2.371 268 L HA 0.757 5.097 4.340 -0.000 0.000 0.272 268 L C 0.909 177.679 176.870 -0.166 0.000 1.124 268 L CA 0.419 54.993 54.840 -0.443 0.000 0.816 268 L CB 1.663 43.336 42.059 -0.643 0.000 1.129 268 L HN 0.414 nan 8.230 nan 0.000 0.448 269 T N 0.232 114.724 114.554 -0.102 0.000 2.933 269 T HA 0.542 4.892 4.350 -0.000 0.000 0.305 269 T C -2.841 171.822 174.700 -0.062 0.000 1.092 269 T CA -2.328 59.738 62.100 -0.057 0.000 1.008 269 T CB 1.828 70.683 68.868 -0.022 0.000 1.102 269 T HN 0.144 nan 8.240 nan 0.000 0.469 270 P HA 0.129 nan 4.420 nan 0.000 0.261 270 P C 0.257 177.524 177.300 -0.055 0.000 1.173 270 P CA 0.746 63.816 63.100 -0.051 0.000 0.760 270 P CB -0.170 31.511 31.700 -0.033 0.000 0.783 271 N N -1.166 117.487 118.700 -0.079 0.000 2.778 271 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 271 N C -0.677 174.791 175.510 -0.070 0.000 1.069 271 N CA 0.201 53.205 53.050 -0.078 0.000 0.831 271 N CB -1.303 37.162 38.487 -0.038 0.000 1.142 271 N HN 0.134 nan 8.380 nan 0.000 0.573 272 V N 0.812 120.683 119.914 -0.072 0.000 2.513 272 V HA 0.249 4.369 4.120 -0.000 0.000 0.299 272 V C 0.023 176.085 176.094 -0.053 0.000 1.035 272 V CA -0.680 61.596 62.300 -0.040 0.000 0.889 272 V CB 1.780 33.598 31.823 -0.008 0.000 0.988 272 V HN 0.014 nan 8.190 nan 0.000 0.440 273 D N 3.283 123.665 120.400 -0.030 0.000 2.434 273 D HA 0.135 4.775 4.640 -0.000 0.000 0.252 273 D C -0.559 175.758 176.300 0.029 0.000 1.185 273 D CA 0.434 54.417 54.000 -0.028 0.000 0.886 273 D CB 0.409 41.217 40.800 0.013 0.000 1.148 273 D HN 0.350 nan 8.370 nan 0.000 0.483 274 F N 3.679 123.536 119.950 -0.154 0.000 2.385 274 F HA 0.315 4.842 4.527 -0.000 0.000 0.360 274 F C -0.671 175.070 175.800 -0.098 0.000 1.122 274 F CA -0.788 57.135 58.000 -0.128 0.000 1.090 274 F CB 0.759 39.654 39.000 -0.175 0.000 1.150 274 F HN -0.003 nan 8.300 nan 0.000 0.472 275 V N 7.033 126.676 119.914 -0.451 0.000 2.417 275 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 275 V C -0.574 175.253 176.094 -0.444 0.000 1.024 275 V CA -0.874 61.230 62.300 -0.327 0.000 0.861 275 V CB 1.460 33.169 31.823 -0.191 0.000 0.985 275 V HN 0.487 nan 8.190 nan 0.000 0.436 276 V N 5.626 125.379 119.914 -0.270 0.000 2.311 276 V HA 0.300 4.420 4.120 -0.000 0.000 0.275 276 V C 0.246 176.208 176.094 -0.220 0.000 1.022 276 V CA -0.616 61.539 62.300 -0.242 0.000 0.830 276 V CB 1.032 32.781 31.823 -0.124 0.000 1.012 276 V HN 0.930 nan 8.190 nan 0.000 0.452 277 Q N 3.275 122.957 119.800 -0.196 0.000 2.364 277 Q HA 0.219 4.559 4.340 -0.000 0.000 0.267 277 Q C -0.959 174.892 176.000 -0.248 0.000 0.999 277 Q CA -0.036 55.676 55.803 -0.151 0.000 0.886 277 Q CB 0.802 29.481 28.738 -0.098 0.000 1.243 277 Q HN 0.658 nan 8.270 nan 0.000 0.415 278 Y N 0.962 121.149 120.300 -0.188 0.000 2.573 278 Y HA 0.095 4.645 4.550 -0.000 0.000 0.346 278 Y C 1.051 176.827 175.900 -0.208 0.000 1.198 278 Y CA -0.238 57.624 58.100 -0.396 0.000 1.627 278 Y CB 0.091 38.236 38.460 -0.525 0.000 1.457 278 Y HN 0.809 nan 8.280 nan 0.000 0.483 279 A N 2.303 125.048 122.820 -0.125 0.000 2.067 279 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 279 A C 1.529 179.029 177.584 -0.141 0.000 1.158 279 A CA 1.424 53.399 52.037 -0.104 0.000 0.661 279 A CB -0.928 18.006 19.000 -0.110 0.000 0.801 279 A HN 0.732 nan 8.150 nan 0.000 0.452 280 N N -1.250 117.331 118.700 -0.198 0.000 2.502 280 N HA 0.547 5.286 4.740 -0.000 0.000 0.280 280 N C -0.214 175.120 175.510 -0.293 0.000 1.223 280 N CA -0.391 52.359 53.050 -0.500 0.000 0.966 280 N CB 0.311 37.913 38.487 -1.476 0.000 1.203 280 N HN 0.014 nan 8.380 nan 0.000 0.565 281 L N 1.146 122.168 121.223 -0.334 0.000 2.928 281 L HA 0.347 4.686 4.340 -0.000 0.000 0.236 281 L C -0.682 176.292 176.870 0.174 0.000 1.290 281 L CA -0.500 54.318 54.840 -0.036 0.000 1.099 281 L CB -1.625 40.428 42.059 -0.011 0.000 1.437 281 L HN 0.586 nan 8.230 nan 0.000 0.493 282 Y N -0.227 120.043 120.300 -0.050 0.000 2.295 282 Y HA 0.410 4.960 4.550 -0.000 0.000 0.331 282 Y C 0.898 176.749 175.900 -0.081 0.000 1.311 282 Y CA -1.277 56.654 58.100 -0.282 0.000 1.430 282 Y CB 0.437 38.246 38.460 -1.084 0.000 1.339 282 Y HN 0.034 nan 8.280 nan 0.000 0.552 283 R N 1.171 121.732 120.500 0.101 0.000 2.278 283 R HA 0.272 4.612 4.340 -0.000 0.000 0.322 283 R C -1.718 174.645 176.300 0.105 0.000 1.058 283 R CA -0.413 55.752 56.100 0.107 0.000 0.991 283 R CB -0.131 30.176 30.300 0.011 0.000 1.140 283 R HN 0.450 nan 8.270 nan 0.000 0.518 284 Y N 3.224 123.645 120.300 0.202 0.000 2.531 284 Y HA 0.022 4.572 4.550 -0.000 0.000 0.347 284 Y C 1.327 177.307 175.900 0.133 0.000 1.024 284 Y CA -0.228 58.010 58.100 0.231 0.000 1.306 284 Y CB 0.467 39.077 38.460 0.250 0.000 1.149 284 Y HN 0.482 nan 8.280 nan 0.000 0.527 285 L N 1.926 123.279 121.223 0.217 0.000 2.131 285 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 285 L C 0.798 177.788 176.870 0.201 0.000 1.087 285 L CA 0.707 55.611 54.840 0.107 0.000 0.767 285 L CB -0.130 41.901 42.059 -0.045 0.000 0.917 285 L HN 0.630 nan 8.230 nan 0.000 0.441 286 S N -2.093 113.791 115.700 0.306 0.000 2.570 286 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 286 S C -0.626 174.186 174.600 0.354 0.000 1.149 286 S CA -0.709 57.647 58.200 0.260 0.000 0.837 286 S CB 2.322 65.721 63.200 0.330 0.000 1.124 286 S HN -0.075 nan 8.310 nan 0.000 0.465 287 T N 1.988 116.666 114.554 0.206 0.000 2.921 287 T HA 0.600 4.950 4.350 -0.000 0.000 0.297 287 T C -0.923 173.769 174.700 -0.014 0.000 1.013 287 T CA -0.420 61.747 62.100 0.112 0.000 0.990 287 T CB 0.880 69.837 68.868 0.149 0.000 1.023 287 T HN 0.661 nan 8.240 nan 0.000 0.447 288 I N 2.302 122.803 120.570 -0.115 0.000 2.465 288 I HA 0.704 4.874 4.170 -0.000 0.000 0.291 288 I C -0.293 175.693 176.117 -0.218 0.000 1.014 288 I CA -1.002 60.269 61.300 -0.048 0.000 1.093 288 I CB 1.727 39.790 38.000 0.105 0.000 1.267 288 I HN 0.722 nan 8.210 nan 0.000 0.431 289 A N 6.458 129.195 122.820 -0.139 0.000 2.335 289 A HA 0.736 5.056 4.320 -0.000 0.000 0.304 289 A C -1.022 176.641 177.584 0.131 0.000 1.118 289 A CA -0.471 51.499 52.037 -0.112 0.000 0.757 289 A CB 1.297 20.150 19.000 -0.245 0.000 1.188 289 A HN 0.404 nan 8.150 nan 0.000 0.460 290 V N 3.436 123.442 119.914 0.152 0.000 2.347 290 V HA 0.297 4.417 4.120 -0.000 0.000 0.280 290 V C -0.634 175.636 176.094 0.293 0.000 1.021 290 V CA -0.396 62.036 62.300 0.219 0.000 0.847 290 V CB 1.134 33.042 31.823 0.143 0.000 0.990 290 V HN 0.778 nan 8.190 nan 0.000 0.444 291 F N 5.362 125.394 119.950 0.137 0.000 2.462 291 F HA 0.361 4.888 4.527 -0.000 0.000 0.354 291 F C 0.448 176.113 175.800 -0.225 0.000 1.192 291 F CA -1.774 56.225 58.000 -0.001 0.000 1.173 291 F CB 0.168 39.199 39.000 0.051 0.000 1.402 291 F HN 0.601 nan 8.300 nan 0.000 0.595 292 D N 4.261 124.626 120.400 -0.058 0.000 2.435 292 D HA -0.022 4.618 4.640 -0.000 0.000 0.230 292 D C -0.106 175.871 176.300 -0.538 0.000 1.215 292 D CA 0.051 53.688 54.000 -0.606 0.000 0.947 292 D CB -0.304 40.380 40.800 -0.193 0.000 1.048 292 D HN 0.265 nan 8.370 nan 0.000 0.512 293 N N 2.831 120.974 118.700 -0.927 0.000 3.050 293 N HA 0.200 4.940 4.740 -0.000 0.000 0.289 293 N C 0.785 176.008 175.510 -0.478 0.000 1.209 293 N CA 0.453 53.015 53.050 -0.814 0.000 1.154 293 N CB -0.450 37.340 38.487 -1.161 0.000 1.444 293 N HN 0.618 nan 8.380 nan 0.000 0.529 294 G N 0.881 109.494 108.800 -0.312 0.000 2.273 294 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.280 294 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.280 294 G C 0.957 175.737 174.900 -0.200 0.000 1.047 294 G CA 0.517 45.497 45.100 -0.201 0.000 0.869 294 G HN 1.111 nan 8.290 nan 0.000 0.502 295 G N -2.392 106.246 108.800 -0.270 0.000 2.195 295 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.246 295 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.246 295 G C 0.444 175.237 174.900 -0.179 0.000 0.984 295 G CA 0.653 45.668 45.100 -0.141 0.000 0.633 295 G HN 1.727 nan 8.290 nan 0.000 0.525 296 S N 0.154 115.618 115.700 -0.394 0.000 2.489 296 S HA 0.765 5.235 4.470 -0.000 0.000 0.291 296 S C -0.816 173.408 174.600 -0.627 0.000 1.151 296 S CA -0.313 57.698 58.200 -0.314 0.000 1.082 296 S CB 0.870 63.910 63.200 -0.266 0.000 1.019 296 S HN 0.304 nan 8.310 nan 0.000 0.492 297 F N 2.959 122.801 119.950 -0.180 0.000 2.445 297 F HA 0.439 4.965 4.527 -0.000 0.000 0.348 297 F C 0.464 176.197 175.800 -0.110 0.000 1.125 297 F CA -0.854 57.049 58.000 -0.163 0.000 0.983 297 F CB 1.146 40.053 39.000 -0.156 0.000 1.198 297 F HN 0.386 nan 8.300 nan 0.000 0.436 298 N N 1.430 120.121 118.700 -0.014 0.000 2.430 298 N HA 0.500 5.240 4.740 -0.000 0.000 0.298 298 N C -0.451 175.120 175.510 0.103 0.000 1.130 298 N CA -0.685 52.378 53.050 0.021 0.000 0.894 298 N CB 2.218 40.679 38.487 -0.044 0.000 1.209 298 N HN 0.565 nan 8.380 nan 0.000 0.503 299 A N 0.620 123.500 122.820 0.099 0.000 3.063 299 A HA 0.461 4.781 4.320 -0.000 0.000 0.263 299 A C 1.349 179.041 177.584 0.180 0.000 1.736 299 A CA 0.324 52.441 52.037 0.132 0.000 1.408 299 A CB -1.413 17.645 19.000 0.096 0.000 1.108 299 A HN 0.909 nan 8.150 nan 0.000 0.621 300 G N 1.104 110.072 108.800 0.280 0.000 2.302 300 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.263 300 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.263 300 G C 1.367 176.347 174.900 0.133 0.000 0.995 300 G CA 1.562 46.816 45.100 0.256 0.000 0.622 300 G HN 1.588 nan 8.290 nan 0.000 0.538 301 T N -0.677 113.937 114.554 0.101 0.000 3.025 301 T HA 0.042 4.392 4.350 -0.000 0.000 0.270 301 T C 1.487 176.212 174.700 0.041 0.000 1.126 301 T CA 1.874 64.009 62.100 0.058 0.000 1.105 301 T CB -0.233 68.659 68.868 0.039 0.000 0.884 301 T HN 0.621 nan 8.240 nan 0.000 0.522 302 D N 0.285 120.720 120.400 0.057 0.000 2.368 302 D HA 0.250 4.890 4.640 -0.000 0.000 0.218 302 D C 0.183 176.557 176.300 0.124 0.000 1.112 302 D CA -0.494 53.545 54.000 0.066 0.000 0.834 302 D CB -0.266 40.532 40.800 -0.003 0.000 0.953 302 D HN 0.481 nan 8.370 nan 0.000 0.505 303 I N 0.483 121.084 120.570 0.051 0.000 2.545 303 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 303 I C 0.595 176.655 176.117 -0.095 0.000 1.040 303 I CA -0.859 60.402 61.300 -0.065 0.000 1.068 303 I CB 2.155 40.059 38.000 -0.160 0.000 1.251 303 I HN -0.273 nan 8.210 nan 0.000 0.424 304 N N 3.802 122.394 118.700 -0.179 0.000 2.197 304 N HA 0.011 4.751 4.740 -0.000 0.000 0.184 304 N C -0.579 174.919 175.510 -0.020 0.000 1.030 304 N CA 1.372 54.353 53.050 -0.114 0.000 0.851 304 N CB 0.261 38.633 38.487 -0.192 0.000 1.003 304 N HN 0.622 nan 8.380 nan 0.000 0.430 305 Y N -1.846 118.376 120.300 -0.130 0.000 2.713 305 Y HA 0.650 5.200 4.550 -0.000 0.000 0.335 305 Y C -1.752 173.977 175.900 -0.285 0.000 1.222 305 Y CA -1.466 56.542 58.100 -0.154 0.000 1.061 305 Y CB 0.506 38.915 38.460 -0.086 0.000 1.314 305 Y HN -0.278 nan 8.280 nan 0.000 0.453 306 L N 1.625 122.799 121.223 -0.081 0.000 2.333 306 L HA 0.922 5.262 4.340 -0.000 0.000 0.263 306 L C -0.140 176.612 176.870 -0.197 0.000 1.014 306 L CA -0.539 54.015 54.840 -0.478 0.000 0.820 306 L CB 2.216 43.494 42.059 -1.302 0.000 1.352 306 L HN 0.894 nan 8.230 nan 0.000 0.421 307 S N -0.112 115.375 115.700 -0.356 0.000 2.636 307 S HA 0.561 5.031 4.470 -0.000 0.000 0.266 307 S C -2.070 172.405 174.600 -0.209 0.000 1.147 307 S CA -0.631 57.535 58.200 -0.058 0.000 0.815 307 S CB 1.565 64.755 63.200 -0.017 0.000 1.119 307 S HN 0.580 nan 8.310 nan 0.000 0.470 308 Q N 1.231 121.018 119.800 -0.021 0.000 2.340 308 Q HA 0.551 4.891 4.340 -0.000 0.000 0.268 308 Q C -0.928 175.060 176.000 -0.020 0.000 1.031 308 Q CA -0.617 55.195 55.803 0.015 0.000 0.804 308 Q CB 2.270 31.066 28.738 0.096 0.000 1.286 308 Q HN 0.566 nan 8.270 nan 0.000 0.448 309 R N 1.269 121.761 120.500 -0.014 0.000 2.744 309 R HA 0.585 4.925 4.340 -0.000 0.000 0.279 309 R C -1.156 175.116 176.300 -0.047 0.000 0.977 309 R CA -0.240 55.836 56.100 -0.041 0.000 0.906 309 R CB 1.991 32.271 30.300 -0.034 0.000 1.197 309 R HN 0.543 nan 8.270 nan 0.000 0.463 310 T N 1.827 116.336 114.554 -0.074 0.000 2.944 310 T HA 0.328 4.678 4.350 -0.000 0.000 0.284 310 T C 1.328 176.008 174.700 -0.033 0.000 1.010 310 T CA -0.005 62.051 62.100 -0.072 0.000 1.025 310 T CB 1.676 70.474 68.868 -0.117 0.000 1.079 310 T HN 0.719 nan 8.240 nan 0.000 0.516 311 A N 1.656 124.469 122.820 -0.012 0.000 1.997 311 A HA -0.201 4.118 4.320 -0.000 0.000 0.221 311 A C 2.264 179.841 177.584 -0.012 0.000 1.172 311 A CA 2.517 54.550 52.037 -0.007 0.000 0.645 311 A CB -1.882 17.120 19.000 0.003 0.000 0.813 311 A HN 1.006 nan 8.150 nan 0.000 0.454 312 N N -2.384 116.309 118.700 -0.012 0.000 2.635 312 N HA 0.204 4.944 4.740 -0.000 0.000 0.191 312 N C 1.471 176.969 175.510 -0.021 0.000 1.155 312 N CA 1.907 54.949 53.050 -0.013 0.000 0.927 312 N CB -1.473 37.007 38.487 -0.011 0.000 0.976 312 N HN 2.009 nan 8.380 nan 0.000 0.448 313 F N -0.939 118.996 119.950 -0.025 0.000 2.871 313 F HA -0.208 4.318 4.527 -0.000 0.000 0.326 313 F C 1.016 176.795 175.800 -0.036 0.000 0.675 313 F CA 1.417 59.400 58.000 -0.027 0.000 1.188 313 F CB -2.492 36.495 39.000 -0.022 0.000 1.567 313 F HN 1.190 nan 8.300 nan 0.000 0.325 314 S N 0.634 116.309 115.700 -0.041 0.000 2.508 314 S HA 0.561 5.031 4.470 -0.000 0.000 0.284 314 S C -0.883 173.680 174.600 -0.061 0.000 1.192 314 S CA -0.002 58.169 58.200 -0.049 0.000 1.070 314 S CB 1.992 65.166 63.200 -0.044 0.000 1.004 314 S HN 0.509 nan 8.310 nan 0.000 0.493 315 D N 2.188 122.549 120.400 -0.066 0.000 2.225 315 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 315 D C 0.925 177.187 176.300 -0.064 0.000 1.096 315 D CA -0.131 53.828 54.000 -0.069 0.000 0.863 315 D CB 1.779 42.527 40.800 -0.087 0.000 1.156 315 D HN 0.801 nan 8.370 nan 0.000 0.450 316 T N -0.518 113.999 114.554 -0.062 0.000 3.057 316 T HA -0.006 4.344 4.350 -0.000 0.000 0.254 316 T C 0.979 175.652 174.700 -0.046 0.000 1.094 316 T CA -0.074 61.989 62.100 -0.061 0.000 1.088 316 T CB 0.144 68.962 68.868 -0.082 0.000 0.934 316 T HN 0.598 nan 8.240 nan 0.000 0.497 317 R N 0.272 120.757 120.500 -0.025 0.000 2.714 317 R HA 0.306 4.646 4.340 -0.000 0.000 0.214 317 R C -0.870 175.472 176.300 0.070 0.000 1.474 317 R CA -0.658 55.441 56.100 -0.003 0.000 1.435 317 R CB -0.331 29.940 30.300 -0.048 0.000 1.517 317 R HN 0.100 nan 8.270 nan 0.000 0.748 318 K N 2.995 123.396 120.400 0.002 0.000 2.292 318 K HA 0.285 4.604 4.320 -0.000 0.000 0.290 318 K C -0.943 175.663 176.600 0.010 0.000 1.083 318 K CA -0.159 56.105 56.287 -0.038 0.000 0.918 318 K CB 0.463 32.830 32.500 -0.222 0.000 1.089 318 K HN 0.450 nan 8.250 nan 0.000 0.473 319 L N 3.429 124.750 121.223 0.163 0.000 2.370 319 L HA 0.350 4.690 4.340 -0.000 0.000 0.266 319 L C -0.330 176.671 176.870 0.219 0.000 1.002 319 L CA -1.390 53.569 54.840 0.199 0.000 0.818 319 L CB 1.957 44.198 42.059 0.303 0.000 1.325 319 L HN 0.735 nan 8.230 nan 0.000 0.418 320 D N 0.703 121.204 120.400 0.168 0.000 2.368 320 D HA 0.132 4.772 4.640 -0.000 0.000 0.240 320 D C -2.099 174.310 176.300 0.181 0.000 1.169 320 D CA -1.142 52.950 54.000 0.154 0.000 0.906 320 D CB 0.650 41.520 40.800 0.117 0.000 1.187 320 D HN 0.205 nan 8.370 nan 0.000 0.435 321 P HA -0.199 nan 4.420 nan 0.000 0.216 321 P C 0.998 178.462 177.300 0.274 0.000 1.153 321 P CA 1.516 64.715 63.100 0.164 0.000 0.858 321 P CB 0.110 31.870 31.700 0.101 0.000 0.789 322 K N -1.240 119.283 120.400 0.205 0.000 2.148 322 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 322 K C 1.902 178.622 176.600 0.200 0.000 1.050 322 K CA 1.512 57.915 56.287 0.194 0.000 0.942 322 K CB -0.620 31.960 32.500 0.134 0.000 0.724 322 K HN 0.170 nan 8.250 nan 0.000 0.446 323 T N 0.469 115.139 114.554 0.193 0.000 2.904 323 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 323 T C 1.184 176.008 174.700 0.206 0.000 1.059 323 T CA 0.554 62.751 62.100 0.161 0.000 1.137 323 T CB -0.126 68.817 68.868 0.125 0.000 0.879 323 T HN 0.425 nan 8.240 nan 0.000 0.467 324 W N 2.310 123.675 121.300 0.109 0.000 2.355 324 W HA -0.102 4.558 4.660 -0.000 0.000 0.309 324 W C 2.471 179.106 176.519 0.194 0.000 1.206 324 W CA 1.323 58.754 57.345 0.143 0.000 1.284 324 W CB -0.646 28.904 29.460 0.150 0.000 1.145 324 W HN 0.293 nan 8.180 nan 0.000 0.502 325 A N 0.958 124.073 122.820 0.490 0.000 1.940 325 A HA -0.101 4.218 4.320 -0.000 0.000 0.219 325 A C 2.199 179.904 177.584 0.202 0.000 1.176 325 A CA 2.752 55.012 52.037 0.372 0.000 0.631 325 A CB -1.270 17.921 19.000 0.319 0.000 0.814 325 A HN 0.313 nan 8.150 nan 0.000 0.446 326 A N -0.897 122.013 122.820 0.150 0.000 1.908 326 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 326 A C 2.091 179.705 177.584 0.050 0.000 1.181 326 A CA 1.738 53.826 52.037 0.085 0.000 0.627 326 A CB -0.473 18.568 19.000 0.068 0.000 0.818 326 A HN 0.510 nan 8.150 nan 0.000 0.445 327 Q N -0.509 119.297 119.800 0.010 0.000 2.124 327 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 327 Q C 2.108 178.124 176.000 0.027 0.000 0.977 327 Q CA 1.987 57.767 55.803 -0.039 0.000 0.850 327 Q CB -1.252 27.375 28.738 -0.185 0.000 0.901 327 Q HN 0.642 nan 8.270 nan 0.000 0.429 328 T N 1.036 115.645 114.554 0.092 0.000 2.821 328 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 328 T C 1.805 176.567 174.700 0.104 0.000 1.046 328 T CA 0.715 62.943 62.100 0.212 0.000 1.139 328 T CB -0.030 69.062 68.868 0.373 0.000 0.871 328 T HN 0.258 nan 8.240 nan 0.000 0.454 329 R N 0.693 121.235 120.500 0.069 0.000 2.152 329 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 329 R C 2.436 178.742 176.300 0.009 0.000 1.117 329 R CA 0.741 56.852 56.100 0.019 0.000 0.981 329 R CB -0.044 30.272 30.300 0.027 0.000 0.870 329 R HN 0.208 nan 8.270 nan 0.000 0.451 330 R N 0.123 120.639 120.500 0.026 0.000 2.193 330 R HA 0.025 4.365 4.340 -0.000 0.000 0.213 330 R C 1.879 178.196 176.300 0.027 0.000 1.055 330 R CA 0.694 56.806 56.100 0.020 0.000 0.995 330 R CB 0.034 30.346 30.300 0.020 0.000 0.893 330 R HN 0.155 nan 8.270 nan 0.000 0.459 331 R N 0.508 121.039 120.500 0.050 0.000 2.105 331 R HA 0.141 4.481 4.340 -0.000 0.000 0.214 331 R C 2.047 178.341 176.300 -0.010 0.000 1.091 331 R CA 0.839 56.980 56.100 0.068 0.000 1.007 331 R CB -0.028 30.392 30.300 0.201 0.000 0.912 331 R HN 0.312 nan 8.270 nan 0.000 0.450 332 I N -3.826 116.696 120.570 -0.080 0.000 4.050 332 I HA 0.472 4.642 4.170 -0.000 0.000 0.327 332 I C 0.480 176.508 176.117 -0.148 0.000 1.473 332 I CA 0.113 61.311 61.300 -0.170 0.000 1.124 332 I CB 0.836 38.604 38.000 -0.386 0.000 1.129 332 I HN -0.027 nan 8.210 nan 0.000 0.428 333 A N 0.254 123.019 122.820 -0.091 0.000 2.861 333 A HA -0.221 4.099 4.320 -0.000 0.000 0.261 333 A C 0.648 178.185 177.584 -0.077 0.000 1.351 333 A CA 1.704 53.699 52.037 -0.069 0.000 0.904 333 A CB -2.287 16.675 19.000 -0.063 0.000 1.076 333 A HN 0.800 nan 8.150 nan 0.000 0.729 334 T N -1.848 112.641 114.554 -0.108 0.000 2.654 334 T HA 0.498 4.848 4.350 -0.000 0.000 0.303 334 T C -2.137 172.485 174.700 -0.131 0.000 1.656 334 T CA 0.131 62.171 62.100 -0.101 0.000 0.971 334 T CB 0.952 69.753 68.868 -0.112 0.000 1.811 334 T HN 0.287 nan 8.240 nan 0.000 0.483 335 D N 0.606 120.949 120.400 -0.095 0.000 2.217 335 D HA 0.523 5.163 4.640 -0.000 0.000 0.248 335 D C -0.293 175.921 176.300 -0.143 0.000 1.008 335 D CA -0.132 53.831 54.000 -0.061 0.000 0.914 335 D CB 0.793 41.611 40.800 0.029 0.000 1.182 335 D HN 0.288 nan 8.370 nan 0.000 0.451 336 F N 0.715 120.609 119.950 -0.094 0.000 2.435 336 F HA 0.220 4.747 4.527 -0.000 0.000 0.316 336 F C -1.337 174.373 175.800 -0.151 0.000 1.220 336 F CA -1.317 56.553 58.000 -0.216 0.000 1.241 336 F CB -0.231 38.533 39.000 -0.393 0.000 1.234 336 F HN 0.070 nan 8.300 nan 0.000 0.569 337 P HA -0.002 nan 4.420 nan 0.000 0.271 337 P C -1.071 176.269 177.300 0.066 0.000 1.238 337 P CA -0.271 62.905 63.100 0.127 0.000 0.794 337 P CB 0.318 32.194 31.700 0.294 0.000 0.959 338 K N 1.058 121.502 120.400 0.073 0.000 2.530 338 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 338 K C 1.286 177.948 176.600 0.104 0.000 1.004 338 K CA 1.269 57.599 56.287 0.071 0.000 1.071 338 K CB -0.753 31.806 32.500 0.098 0.000 0.876 338 K HN 0.854 nan 8.250 nan 0.000 0.487 339 G N 1.190 109.998 108.800 0.014 0.000 2.179 339 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 339 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 339 G C 0.025 174.850 174.900 -0.124 0.000 0.977 339 G CA 0.064 45.219 45.100 0.090 0.000 0.641 339 G HN 0.430 nan 8.290 nan 0.000 0.533 340 V N 1.085 120.776 119.914 -0.372 0.000 2.370 340 V HA 0.653 4.773 4.120 -0.000 0.000 0.279 340 V C -0.313 175.401 176.094 -0.633 0.000 1.029 340 V CA -0.799 61.280 62.300 -0.367 0.000 0.870 340 V CB 0.844 32.448 31.823 -0.365 0.000 0.984 340 V HN 0.244 nan 8.190 nan 0.000 0.451 341 Y N 4.227 124.569 120.300 0.069 0.000 2.393 341 Y HA 0.620 5.170 4.550 -0.000 0.000 0.341 341 Y C -0.485 175.597 175.900 0.303 0.000 0.988 341 Y CA -0.875 57.367 58.100 0.237 0.000 1.078 341 Y CB 1.735 40.252 38.460 0.095 0.000 1.203 341 Y HN 0.634 nan 8.280 nan 0.000 0.453 342 Y N 2.164 122.769 120.300 0.509 0.000 2.468 342 Y HA 0.679 5.229 4.550 -0.000 0.000 0.342 342 Y C -1.186 175.034 175.900 0.533 0.000 1.021 342 Y CA -1.837 56.463 58.100 0.333 0.000 1.079 342 Y CB 1.741 40.312 38.460 0.186 0.000 1.226 342 Y HN 0.802 nan 8.280 nan 0.000 0.460 343 C N 6.549 125.623 119.300 -0.376 0.000 2.505 343 C HA 0.361 4.821 4.460 -0.000 0.000 0.342 343 C C -1.334 173.282 174.990 -0.623 0.000 1.121 343 C CA -0.718 58.132 59.018 -0.281 0.000 1.306 343 C CB -0.060 27.901 27.740 0.368 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.401 123.493 120.400 -0.514 0.000 2.280 344 D HA 0.300 4.940 4.640 -0.000 0.000 0.243 344 D C 0.149 176.416 176.300 -0.055 0.000 1.129 344 D CA 0.253 54.121 54.000 -0.220 0.000 0.848 344 D CB 0.684 41.484 40.800 0.001 0.000 1.107 344 D HN 0.750 nan 8.370 nan 0.000 0.471 345 N N 2.548 121.261 118.700 0.021 0.000 2.451 345 N HA 0.142 4.882 4.740 -0.000 0.000 0.271 345 N C 1.080 176.626 175.510 0.061 0.000 1.410 345 N CA -0.351 52.726 53.050 0.046 0.000 0.884 345 N CB 0.804 39.331 38.487 0.068 0.000 1.332 345 N HN 0.209 nan 8.380 nan 0.000 0.498 346 R N 0.423 120.965 120.500 0.071 0.000 2.073 346 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 346 R C 0.663 176.982 176.300 0.032 0.000 1.134 346 R CA 1.267 57.402 56.100 0.059 0.000 0.952 346 R CB -0.082 30.294 30.300 0.126 0.000 0.850 346 R HN 0.264 nan 8.270 nan 0.000 0.433 347 D N 0.310 120.738 120.400 0.046 0.000 2.224 347 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 347 D C 0.234 176.559 176.300 0.042 0.000 0.965 347 D CA 1.223 55.246 54.000 0.039 0.000 0.852 347 D CB 0.234 41.057 40.800 0.039 0.000 0.947 347 D HN 0.106 nan 8.370 nan 0.000 0.494 348 K N 0.868 121.301 120.400 0.055 0.000 2.753 348 K HA 0.283 4.603 4.320 -0.000 0.000 0.185 348 K C -2.730 173.935 176.600 0.108 0.000 1.071 348 K CA -1.486 54.852 56.287 0.083 0.000 0.999 348 K CB 2.375 34.932 32.500 0.094 0.000 1.244 348 K HN -0.109 nan 8.250 nan 0.000 0.594 349 P HA -0.053 nan 4.420 nan 0.000 0.266 349 P C -0.103 177.324 177.300 0.212 0.000 1.193 349 P CA -0.126 63.048 63.100 0.123 0.000 0.770 349 P CB 0.472 32.219 31.700 0.078 0.000 0.836 350 I N 3.559 124.245 120.570 0.192 0.000 2.533 350 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 350 I C -0.065 176.294 176.117 0.402 0.000 1.109 350 I CA 0.275 61.681 61.300 0.177 0.000 1.412 350 I CB -1.006 36.789 38.000 -0.341 0.000 1.396 350 I HN 0.398 nan 8.210 nan 0.000 0.543 351 Y N 5.902 126.375 120.300 0.288 0.000 2.344 351 Y HA 0.147 4.697 4.550 -0.000 0.000 0.328 351 Y C 1.235 177.183 175.900 0.080 0.000 1.067 351 Y CA -1.327 56.854 58.100 0.135 0.000 1.247 351 Y CB 1.297 39.761 38.460 0.007 0.000 1.113 351 Y HN 0.708 nan 8.280 nan 0.000 0.465 352 T N 1.238 115.789 114.554 -0.004 0.000 3.052 352 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 352 T C 1.260 175.792 174.700 -0.279 0.000 1.147 352 T CA 1.422 63.492 62.100 -0.051 0.000 1.089 352 T CB -0.185 68.677 68.868 -0.012 0.000 0.875 352 T HN 0.631 nan 8.240 nan 0.000 0.541 353 L N -0.481 120.320 121.223 -0.703 0.000 2.592 353 L HA 0.255 4.595 4.340 -0.000 0.000 0.227 353 L C 2.645 179.221 176.870 -0.491 0.000 1.127 353 L CA 0.247 54.715 54.840 -0.620 0.000 0.884 353 L CB -0.249 41.332 42.059 -0.798 0.000 1.065 353 L HN 0.283 nan 8.230 nan 0.000 0.457 354 Q N -0.638 118.804 119.800 -0.596 0.000 2.349 354 Q HA 0.090 4.430 4.340 -0.000 0.000 0.209 354 Q C -0.580 175.116 176.000 -0.507 0.000 0.920 354 Q CA 0.638 56.093 55.803 -0.579 0.000 0.901 354 Q CB 0.683 28.927 28.738 -0.825 0.000 1.021 354 Q HN 0.390 nan 8.270 nan 0.000 0.519 355 Y N -2.356 117.910 120.300 -0.057 0.000 2.677 355 Y HA 0.659 5.208 4.550 -0.000 0.000 0.334 355 Y C 0.528 176.394 175.900 -0.056 0.000 1.154 355 Y CA -1.792 56.284 58.100 -0.041 0.000 1.070 355 Y CB -0.279 38.168 38.460 -0.022 0.000 1.294 355 Y HN -0.087 nan 8.280 nan 0.000 0.475 356 G N 0.112 109.015 108.800 0.172 0.000 2.785 356 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.256 356 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.256 356 G C -0.275 174.679 174.900 0.090 0.000 1.248 356 G CA -0.427 44.721 45.100 0.079 0.000 0.914 356 G HN 0.895 nan 8.290 nan 0.000 0.580 357 N N -1.977 116.748 118.700 0.042 0.000 2.441 357 N HA 0.221 4.961 4.740 -0.000 0.000 0.251 357 N C -0.244 175.300 175.510 0.056 0.000 1.242 357 N CA -0.403 52.675 53.050 0.046 0.000 0.898 357 N CB 0.444 38.940 38.487 0.016 0.000 1.100 357 N HN 0.158 nan 8.380 nan 0.000 0.443 358 V N 0.534 120.503 119.914 0.091 0.000 2.815 358 V HA 0.752 4.872 4.120 -0.000 0.000 0.314 358 V C 0.638 176.881 176.094 0.249 0.000 1.064 358 V CA -0.702 61.655 62.300 0.095 0.000 0.952 358 V CB 1.718 33.531 31.823 -0.017 0.000 1.020 358 V HN 0.830 nan 8.190 nan 0.000 0.439 359 G N 0.750 109.679 108.800 0.215 0.000 2.612 359 G HA2 0.651 4.611 3.960 -0.000 0.000 0.298 359 G HA3 0.651 4.611 3.960 -0.000 0.000 0.298 359 G C -1.933 173.107 174.900 0.234 0.000 1.336 359 G CA -0.564 44.638 45.100 0.171 0.000 0.953 359 G HN 0.475 nan 8.290 nan 0.000 0.482 360 F N 1.970 121.908 119.950 -0.020 0.000 2.408 360 F HA 0.657 5.184 4.527 -0.000 0.000 0.344 360 F C -0.275 175.497 175.800 -0.048 0.000 1.112 360 F CA -0.508 57.511 58.000 0.032 0.000 1.096 360 F CB 1.727 40.693 39.000 -0.057 0.000 1.129 360 F HN 0.287 nan 8.300 nan 0.000 0.486 361 V N 6.435 126.063 119.914 -0.477 0.000 2.555 361 V HA 0.605 4.724 4.120 -0.000 0.000 0.302 361 V C -0.867 175.010 176.094 -0.361 0.000 1.038 361 V CA -0.871 61.264 62.300 -0.274 0.000 0.887 361 V CB 1.674 33.414 31.823 -0.138 0.000 0.991 361 V HN 0.572 nan 8.190 nan 0.000 0.434 362 V N 3.733 123.533 119.914 -0.191 0.000 2.525 362 V HA 0.467 4.587 4.120 -0.000 0.000 0.299 362 V C -0.415 175.477 176.094 -0.336 0.000 1.034 362 V CA -0.648 61.468 62.300 -0.307 0.000 0.863 362 V CB 2.012 33.660 31.823 -0.291 0.000 0.999 362 V HN 0.890 nan 8.190 nan 0.000 0.423 363 N N 6.742 125.103 118.700 -0.566 0.000 2.558 363 N HA 0.376 5.116 4.740 -0.000 0.000 0.242 363 N C -2.776 172.447 175.510 -0.479 0.000 0.979 363 N CA -1.649 51.042 53.050 -0.599 0.000 0.931 363 N CB 2.550 40.354 38.487 -1.139 0.000 1.122 363 N HN 0.341 nan 8.380 nan 0.000 0.508 364 P HA 0.144 nan 4.420 nan 0.000 0.275 364 P C 0.152 177.380 177.300 -0.121 0.000 1.227 364 P CA -0.160 62.811 63.100 -0.214 0.000 0.781 364 P CB 1.986 33.557 31.700 -0.216 0.000 0.906 365 K N 1.582 121.951 120.400 -0.051 0.000 2.211 365 K HA 0.089 4.409 4.320 -0.000 0.000 0.201 365 K C -0.093 176.501 176.600 -0.010 0.000 1.052 365 K CA 0.881 57.147 56.287 -0.035 0.000 0.973 365 K CB 0.338 32.826 32.500 -0.019 0.000 0.766 365 K HN 0.424 nan 8.250 nan 0.000 0.466 366 T N 0.604 115.172 114.554 0.023 0.000 2.916 366 T HA 0.418 4.768 4.350 -0.000 0.000 0.298 366 T C -1.542 173.187 174.700 0.048 0.000 1.031 366 T CA -0.712 61.394 62.100 0.009 0.000 0.993 366 T CB 2.325 71.181 68.868 -0.020 0.000 1.045 366 T HN -0.190 nan 8.240 nan 0.000 0.454 367 V N 4.124 124.045 119.914 0.012 0.000 2.419 367 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 367 V C -0.361 175.711 176.094 -0.036 0.000 1.017 367 V CA -1.107 61.208 62.300 0.025 0.000 0.844 367 V CB 1.515 33.342 31.823 0.007 0.000 1.011 367 V HN 0.771 nan 8.190 nan 0.000 0.429 368 N N 2.158 120.810 118.700 -0.081 0.000 2.379 368 N HA 0.284 5.024 4.740 -0.000 0.000 0.260 368 N C 0.016 175.482 175.510 -0.074 0.000 1.254 368 N CA -0.571 52.424 53.050 -0.092 0.000 0.958 368 N CB 0.626 39.028 38.487 -0.140 0.000 1.208 368 N HN 0.730 nan 8.380 nan 0.000 0.532 369 Q N 0.799 120.561 119.800 -0.065 0.000 2.337 369 Q HA 0.054 4.394 4.340 -0.000 0.000 0.270 369 Q C -0.462 175.505 176.000 -0.056 0.000 1.002 369 Q CA 0.362 56.136 55.803 -0.050 0.000 0.888 369 Q CB 0.035 28.749 28.738 -0.039 0.000 1.222 369 Q HN 0.456 nan 8.270 nan 0.000 0.400 370 N N 0.733 119.408 118.700 -0.042 0.000 2.776 370 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 370 N C -1.320 174.159 175.510 -0.052 0.000 1.111 370 N CA 0.955 53.982 53.050 -0.038 0.000 0.711 370 N CB -1.730 36.738 38.487 -0.032 0.000 1.065 370 N HN 0.657 nan 8.380 nan 0.000 0.556 371 A N 0.830 123.618 122.820 -0.053 0.000 2.371 371 A HA 0.662 4.982 4.320 -0.000 0.000 0.257 371 A C 0.884 178.456 177.584 -0.020 0.000 1.089 371 A CA 0.140 52.161 52.037 -0.027 0.000 0.794 371 A CB 0.648 19.672 19.000 0.040 0.000 1.029 371 A HN 0.470 nan 8.150 nan 0.000 0.488 372 R N 0.815 121.334 120.500 0.031 0.000 2.712 372 R HA 0.614 4.954 4.340 -0.000 0.000 0.272 372 R C -2.141 174.194 176.300 0.059 0.000 1.032 372 R CA -0.925 55.171 56.100 -0.005 0.000 0.874 372 R CB 0.890 31.208 30.300 0.030 0.000 1.256 372 R HN 0.458 nan 8.270 nan 0.000 0.468 373 L N 2.335 123.577 121.223 0.031 0.000 2.305 373 L HA 0.424 4.764 4.340 -0.000 0.000 0.284 373 L C -0.859 176.084 176.870 0.121 0.000 1.013 373 L CA -1.371 53.518 54.840 0.081 0.000 0.819 373 L CB 1.715 43.825 42.059 0.084 0.000 1.227 373 L HN 0.402 nan 8.230 nan 0.000 0.417 374 L N 5.032 126.344 121.223 0.148 0.000 2.257 374 L HA 0.424 4.764 4.340 -0.000 0.000 0.290 374 L C 0.120 177.061 176.870 0.120 0.000 1.044 374 L CA -0.142 54.820 54.840 0.202 0.000 0.810 374 L CB 1.102 43.366 42.059 0.341 0.000 1.193 374 L HN 0.531 nan 8.230 nan 0.000 0.425 375 M N 2.805 122.398 119.600 -0.013 0.000 2.238 375 M HA 0.524 5.004 4.480 -0.000 0.000 0.350 375 M C 0.515 176.527 176.300 -0.479 0.000 1.138 375 M CA -0.340 54.775 55.300 -0.309 0.000 1.040 375 M CB 1.481 33.852 32.600 -0.381 0.000 1.639 375 M HN 0.595 nan 8.290 nan 0.000 0.451 376 G N 3.422 111.807 108.800 -0.692 0.000 2.544 376 G HA2 0.678 4.638 3.960 -0.000 0.000 0.313 376 G HA3 0.678 4.638 3.960 -0.000 0.000 0.313 376 G C -1.813 172.707 174.900 -0.633 0.000 1.316 376 G CA -0.214 44.278 45.100 -1.014 0.000 0.944 376 G HN 0.560 nan 8.290 nan 0.000 0.489 377 Y N 0.139 120.503 120.300 0.106 0.000 2.485 377 Y HA 0.584 5.134 4.550 -0.000 0.000 0.345 377 Y C 0.266 176.427 175.900 0.435 0.000 0.998 377 Y CA -1.040 57.304 58.100 0.406 0.000 1.059 377 Y CB 2.694 41.521 38.460 0.612 0.000 1.234 377 Y HN 0.511 nan 8.280 nan 0.000 0.461 378 E N 2.646 123.184 120.200 0.564 0.000 2.191 378 E HA 0.461 4.811 4.350 -0.000 0.000 0.263 378 E C -1.873 174.901 176.600 0.290 0.000 0.881 378 E CA -0.668 55.902 56.400 0.283 0.000 0.757 378 E CB 1.259 31.149 29.700 0.318 0.000 1.147 378 E HN 0.585 nan 8.360 nan 0.000 0.414 379 Y N 1.733 122.051 120.300 0.030 0.000 2.670 379 Y HA 0.630 5.179 4.550 -0.000 0.000 0.334 379 Y C -1.974 173.899 175.900 -0.046 0.000 1.185 379 Y CA -1.469 56.559 58.100 -0.120 0.000 1.053 379 Y CB 0.732 38.993 38.460 -0.332 0.000 1.298 379 Y HN 0.200 nan 8.280 nan 0.000 0.459 380 F N 0.692 120.762 119.950 0.200 0.000 2.492 380 F HA 0.805 5.332 4.527 -0.000 0.000 0.327 380 F C 0.212 176.084 175.800 0.120 0.000 1.079 380 F CA -0.887 57.170 58.000 0.096 0.000 0.967 380 F CB 2.180 41.177 39.000 -0.005 0.000 1.169 380 F HN 0.751 nan 8.300 nan 0.000 0.472 381 T N 0.747 115.456 114.554 0.258 0.000 2.885 381 T HA 0.488 4.838 4.350 -0.000 0.000 0.322 381 T C -1.115 173.628 174.700 0.072 0.000 1.387 381 T CA -0.676 61.519 62.100 0.158 0.000 1.041 381 T CB 1.058 69.992 68.868 0.111 0.000 1.287 381 T HN 0.717 nan 8.240 nan 0.000 0.491 382 S N 2.872 118.608 115.700 0.059 0.000 2.586 382 S HA 0.435 4.904 4.470 -0.000 0.000 0.274 382 S C 1.312 175.926 174.600 0.022 0.000 1.281 382 S CA -0.761 57.451 58.200 0.019 0.000 1.035 382 S CB 1.263 64.472 63.200 0.016 0.000 0.962 382 S HN 0.809 nan 8.310 nan 0.000 0.512 383 R N 1.190 121.691 120.500 0.002 0.000 2.105 383 R HA -0.004 4.336 4.340 -0.000 0.000 0.239 383 R C 1.303 177.617 176.300 0.023 0.000 1.135 383 R CA 1.798 57.900 56.100 0.003 0.000 0.967 383 R CB -0.987 29.318 30.300 0.007 0.000 0.861 383 R HN 0.925 nan 8.270 nan 0.000 0.442 384 T N 0.000 114.569 114.554 0.025 0.000 3.816 384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 384 T CA 0.000 62.118 62.100 0.030 0.000 1.349 384 T CB 0.000 68.882 68.868 0.024 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658