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 2zlg_1_A DATA FIRST_RESID 76 DATA SEQUENCE TLAARIAISN LHKQTTKQFS KVVEDLYRYV NAATGKPAPM ISDDVYNIVM DATA SEQUENCE ENKDKLNSAI VYDRDFQYSY FGFKTLERSY LLRINGQVAE RPQHLIMRVA DATA SEQUENCE LGIHGRDIEA ALETYNLMSL KYFTHASPTL FNAGTPKPQM SSCFLVAMKE DATA SEQUENCE DSIEGIYDTL KECALISKTA GGIGLHIHNI RSTGSYIAGT NGTSNGLIPM DATA SEQUENCE IRVFNNTARY VXXXXXXXXG AFALYLEPWH ADIFDFIDIR KNHGKEEIRA DATA SEQUENCE RDLFPALWIP DLFMKRVEEN GTWTLFSPTS APGLSDCYGD EFEALYTRYE DATA SEQUENCE KEGRGKTIKA QKLWYSILEA QTETGTPFVV YKDACNRKSN QKNLGVIKSS DATA SEQUENCE NLCCEIVEYS APDETAVCNL ASVALPAFIE TSEDGKTSTY NFKKLHEIAK DATA SEQUENCE VVTRNLNRVI DRNYYPVEEA RKSNMRHRPI ALGVQGLADT FMLLRLPFDS DATA SEQUENCE EEARLLNIQI FETIYHASME ASCELAQKDG PYETFQGSPA SQGILQFDMW DATA SEQUENCE DQKPYGMWDW DTLRKDIMKH GVRNSLTMAP MPTASTSQIL GYNECFEPVT DATA SEQUENCE SNMXXXXXXX XXFQVVNPYL LRDLVDLGIW DEGMKQYLIT QNGSIQGLPN DATA SEQUENCE VPQELKDLYK TVWEISQKTI INMAADRSVY IDQSHSLNLF LRAPTMGKLT DATA SEQUENCE SMHFYGWKKG LKTGMYYLRT Q 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 76 T HA 0.000 nan 4.350 nan 0.000 0.228 76 T C 0.000 174.657 174.700 -0.072 0.000 1.109 76 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 76 T CB 0.000 68.824 68.868 -0.073 0.000 0.612 77 L N 1.994 123.158 121.223 -0.099 0.000 2.592 77 L HA 0.735 5.077 4.340 0.003 0.000 0.227 77 L C 2.170 178.966 176.870 -0.123 0.000 1.127 77 L CA 1.455 56.239 54.840 -0.093 0.000 0.884 77 L CB -0.293 41.714 42.059 -0.086 0.000 1.065 77 L HN 0.597 nan 8.230 nan 0.000 0.457 78 A N -0.524 122.178 122.820 -0.197 0.000 1.930 78 A HA 0.068 4.390 4.320 0.003 0.000 0.215 78 A C 2.429 179.922 177.584 -0.152 0.000 1.176 78 A CA 1.153 52.998 52.037 -0.320 0.000 0.632 78 A CB -0.648 17.904 19.000 -0.748 0.000 0.819 78 A HN 0.455 nan 8.150 nan 0.000 0.445 79 A N 0.077 122.880 122.820 -0.029 0.000 1.865 79 A HA -0.223 4.099 4.320 0.003 0.000 0.217 79 A C 2.247 179.828 177.584 -0.006 0.000 1.191 79 A CA 1.894 53.980 52.037 0.082 0.000 0.623 79 A CB -0.543 18.509 19.000 0.086 0.000 0.826 79 A HN 0.497 nan 8.150 nan 0.000 0.444 80 R N -0.752 119.757 120.500 0.015 0.000 2.189 80 R HA -0.044 4.298 4.340 0.003 0.000 0.223 80 R C 1.836 178.148 176.300 0.021 0.000 1.092 80 R CA 0.905 57.043 56.100 0.065 0.000 0.989 80 R CB -0.214 30.070 30.300 -0.026 0.000 0.876 80 R HN 0.508 nan 8.270 nan 0.000 0.457 81 I N 0.419 120.969 120.570 -0.033 0.000 2.133 81 I HA -0.207 3.965 4.170 0.003 0.000 0.238 81 I C 2.372 178.464 176.117 -0.042 0.000 1.074 81 I CA 1.538 62.815 61.300 -0.037 0.000 1.342 81 I CB -1.228 36.734 38.000 -0.063 0.000 1.053 81 I HN 0.235 nan 8.210 nan 0.000 0.404 82 A N 0.893 123.686 122.820 -0.045 0.000 1.933 82 A HA -0.179 4.143 4.320 0.003 0.000 0.218 82 A C 2.305 179.683 177.584 -0.343 0.000 1.175 82 A CA 1.475 53.477 52.037 -0.059 0.000 0.628 82 A CB -0.725 18.352 19.000 0.129 0.000 0.814 82 A HN 0.410 nan 8.150 nan 0.000 0.444 83 I N -0.977 119.255 120.570 -0.564 0.000 2.202 83 I HA -0.181 3.991 4.170 0.003 0.000 0.242 83 I C 2.787 178.555 176.117 -0.583 0.000 1.091 83 I CA 1.430 62.228 61.300 -0.838 0.000 1.368 83 I CB -0.319 37.211 38.000 -0.782 0.000 1.058 83 I HN 0.384 nan 8.210 nan 0.000 0.410 84 S N 0.973 116.577 115.700 -0.161 0.000 2.400 84 S HA -0.185 4.288 4.470 0.003 0.000 0.232 84 S C 1.882 176.482 174.600 -0.001 0.000 1.025 84 S CA 1.573 59.792 58.200 0.033 0.000 0.993 84 S CB -0.396 62.902 63.200 0.163 0.000 0.808 84 S HN 0.407 nan 8.310 nan 0.000 0.478 85 N N 0.915 119.595 118.700 -0.034 0.000 2.331 85 N HA -0.030 4.712 4.740 0.003 0.000 0.180 85 N C 1.677 177.203 175.510 0.026 0.000 1.019 85 N CA 0.911 53.968 53.050 0.013 0.000 0.881 85 N CB -0.360 38.140 38.487 0.022 0.000 0.972 85 N HN 0.391 nan 8.380 nan 0.000 0.435 86 L N 0.998 122.204 121.223 -0.028 0.000 2.093 86 L HA -0.122 4.220 4.340 0.003 0.000 0.208 86 L C 2.080 179.011 176.870 0.103 0.000 1.085 86 L CA 1.497 56.364 54.840 0.045 0.000 0.755 86 L CB -0.332 41.772 42.059 0.075 0.000 0.904 86 L HN 0.141 nan 8.230 nan 0.000 0.435 87 H N -0.028 119.068 119.070 0.044 0.000 2.423 87 H HA -0.088 4.470 4.556 0.003 0.000 0.297 87 H C 2.096 177.446 175.328 0.038 0.000 1.075 87 H CA 1.322 57.392 56.048 0.036 0.000 1.342 87 H CB -0.022 29.762 29.762 0.038 0.000 1.395 87 H HN 0.391 nan 8.280 nan 0.000 0.530 88 K N 0.196 120.693 120.400 0.162 0.000 2.243 88 K HA -0.016 4.306 4.320 0.003 0.000 0.201 88 K C 1.211 177.859 176.600 0.078 0.000 1.051 88 K CA 0.559 56.906 56.287 0.100 0.000 0.970 88 K CB 0.302 32.849 32.500 0.079 0.000 0.755 88 K HN 0.175 nan 8.250 nan 0.000 0.465 89 Q N 0.324 120.174 119.800 0.084 0.000 2.212 89 Q HA 0.128 4.470 4.340 0.003 0.000 0.213 89 Q C -0.910 175.139 176.000 0.082 0.000 0.874 89 Q CA 0.229 56.074 55.803 0.071 0.000 0.965 89 Q CB 1.294 30.070 28.738 0.063 0.000 1.074 89 Q HN -0.047 nan 8.270 nan 0.000 0.473 90 T N 0.076 114.691 114.554 0.102 0.000 2.928 90 T HA 0.234 4.586 4.350 0.003 0.000 0.296 90 T C -0.383 174.372 174.700 0.092 0.000 1.000 90 T CA -0.691 61.480 62.100 0.118 0.000 0.989 90 T CB 1.706 70.694 68.868 0.199 0.000 1.005 90 T HN -0.084 nan 8.240 nan 0.000 0.442 91 T N 4.285 118.875 114.554 0.059 0.000 2.792 91 T HA 0.053 4.405 4.350 0.003 0.000 0.286 91 T C 0.500 175.226 174.700 0.043 0.000 0.970 91 T CA 0.267 62.384 62.100 0.027 0.000 1.187 91 T CB 0.078 68.945 68.868 -0.002 0.000 0.915 91 T HN 0.331 nan 8.240 nan 0.000 0.529 92 K N 3.531 123.913 120.400 -0.031 0.000 2.368 92 K HA 0.134 4.456 4.320 0.003 0.000 0.282 92 K C -0.018 176.575 176.600 -0.010 0.000 1.035 92 K CA -0.056 56.150 56.287 -0.136 0.000 0.973 92 K CB 0.297 32.608 32.500 -0.315 0.000 0.957 92 K HN 0.804 nan 8.250 nan 0.000 0.474 93 Q N 4.200 124.081 119.800 0.134 0.000 1.903 93 Q HA -0.133 4.209 4.340 0.003 0.000 0.262 93 Q C -0.547 175.586 176.000 0.222 0.000 0.648 93 Q CA -0.101 55.818 55.803 0.193 0.000 0.390 93 Q CB -1.218 27.567 28.738 0.078 0.000 0.481 93 Q HN 0.738 nan 8.270 nan 0.000 0.319 94 F N 2.706 122.806 119.950 0.250 0.000 2.115 94 F HA -0.264 4.265 4.527 0.003 0.000 0.300 94 F C 1.971 177.787 175.800 0.026 0.000 1.092 94 F CA 2.773 60.876 58.000 0.172 0.000 1.245 94 F CB -0.236 38.927 39.000 0.272 0.000 0.995 94 F HN 0.659 nan 8.300 nan 0.000 0.481 95 S N -0.760 114.905 115.700 -0.057 0.000 2.399 95 S HA -0.242 4.230 4.470 0.003 0.000 0.231 95 S C 1.994 176.486 174.600 -0.180 0.000 1.022 95 S CA 1.375 59.457 58.200 -0.197 0.000 0.983 95 S CB -0.511 62.654 63.200 -0.058 0.000 0.803 95 S HN 0.408 nan 8.310 nan 0.000 0.480 96 K N 1.489 121.826 120.400 -0.106 0.000 2.186 96 K HA 0.145 4.467 4.320 0.003 0.000 0.202 96 K C 2.110 178.653 176.600 -0.095 0.000 1.052 96 K CA 1.063 57.309 56.287 -0.068 0.000 0.965 96 K CB -0.602 31.881 32.500 -0.028 0.000 0.746 96 K HN 0.425 nan 8.250 nan 0.000 0.457 97 V N -1.943 117.862 119.914 -0.181 0.000 2.427 97 V HA -0.127 3.995 4.120 0.003 0.000 0.248 97 V C 1.871 177.857 176.094 -0.180 0.000 1.051 97 V CA 1.635 63.810 62.300 -0.208 0.000 1.048 97 V CB -0.735 30.853 31.823 -0.392 0.000 0.666 97 V HN -0.009 nan 8.190 nan 0.000 0.456 98 V N 1.072 120.808 119.914 -0.296 0.000 2.295 98 V HA -0.272 3.850 4.120 0.003 0.000 0.246 98 V C 2.781 178.907 176.094 0.053 0.000 1.049 98 V CA 2.576 64.753 62.300 -0.204 0.000 1.024 98 V CB -0.887 30.684 31.823 -0.421 0.000 0.648 98 V HN 0.752 nan 8.190 nan 0.000 0.447 99 E N 0.793 121.034 120.200 0.068 0.000 2.070 99 E HA -0.266 4.087 4.350 0.003 0.000 0.197 99 E C 1.809 178.506 176.600 0.162 0.000 1.004 99 E CA 2.147 58.682 56.400 0.225 0.000 0.805 99 E CB -0.365 29.414 29.700 0.132 0.000 0.744 99 E HN 0.630 nan 8.360 nan 0.000 0.451 100 D N -0.021 120.425 120.400 0.076 0.000 2.117 100 D HA -0.125 4.517 4.640 0.003 0.000 0.198 100 D C 2.193 178.547 176.300 0.091 0.000 0.982 100 D CA 1.048 55.090 54.000 0.070 0.000 0.828 100 D CB -0.274 40.548 40.800 0.036 0.000 0.967 100 D HN 0.273 nan 8.370 nan 0.000 0.464 101 L N -0.099 121.163 121.223 0.064 0.000 2.012 101 L HA -0.222 4.120 4.340 0.003 0.000 0.210 101 L C 2.569 179.505 176.870 0.109 0.000 1.073 101 L CA 1.180 56.055 54.840 0.059 0.000 0.748 101 L CB -0.582 41.494 42.059 0.029 0.000 0.891 101 L HN 0.055 nan 8.230 nan 0.000 0.431 102 Y N 0.596 120.879 120.300 -0.028 0.000 2.333 102 Y HA -0.163 4.389 4.550 0.003 0.000 0.290 102 Y C 2.449 178.264 175.900 -0.142 0.000 1.144 102 Y CA 1.293 59.319 58.100 -0.124 0.000 1.228 102 Y CB 0.011 38.296 38.460 -0.291 0.000 0.985 102 Y HN -0.010 nan 8.280 nan 0.000 0.542 103 R N -0.653 119.824 120.500 -0.039 0.000 2.297 103 R HA -0.038 4.304 4.340 0.003 0.000 0.197 103 R C -0.157 176.102 176.300 -0.068 0.000 0.943 103 R CA -0.118 55.920 56.100 -0.103 0.000 1.038 103 R CB -1.229 29.071 30.300 -0.000 0.000 0.957 103 R HN 0.342 nan 8.270 nan 0.000 0.484 104 Y N 0.734 120.963 120.300 -0.117 0.000 2.788 104 Y HA 0.006 4.558 4.550 0.003 0.000 0.341 104 Y C -0.165 175.673 175.900 -0.104 0.000 1.258 104 Y CA 0.256 58.303 58.100 -0.088 0.000 1.503 104 Y CB 0.610 39.030 38.460 -0.067 0.000 1.325 104 Y HN -0.293 nan 8.280 nan 0.000 0.614 105 V N 6.947 126.223 119.914 -1.064 0.000 2.668 105 V HA 0.117 4.239 4.120 0.003 0.000 0.304 105 V C -0.565 174.955 176.094 -0.957 0.000 1.071 105 V CA -1.550 60.293 62.300 -0.761 0.000 0.894 105 V CB 1.813 33.404 31.823 -0.388 0.000 1.008 105 V HN 0.865 nan 8.190 nan 0.000 0.425 106 N N 3.308 121.664 118.700 -0.574 0.000 2.416 106 N HA 0.080 4.822 4.740 0.003 0.000 0.271 106 N C 1.199 176.589 175.510 -0.201 0.000 1.245 106 N CA 0.572 53.437 53.050 -0.308 0.000 0.940 106 N CB 1.761 40.177 38.487 -0.118 0.000 1.175 106 N HN 0.871 nan 8.380 nan 0.000 0.483 107 A N 4.442 127.171 122.820 -0.151 0.000 1.917 107 A HA -0.182 4.140 4.320 0.003 0.000 0.219 107 A C 2.078 179.624 177.584 -0.063 0.000 1.182 107 A CA 2.021 54.001 52.037 -0.094 0.000 0.633 107 A CB -0.605 18.369 19.000 -0.044 0.000 0.819 107 A HN 0.774 nan 8.150 nan 0.000 0.448 108 A N -2.428 120.365 122.820 -0.044 0.000 2.067 108 A HA 0.056 4.378 4.320 0.003 0.000 0.217 108 A C 2.190 179.750 177.584 -0.039 0.000 1.156 108 A CA 2.100 54.118 52.037 -0.032 0.000 0.683 108 A CB -0.566 18.422 19.000 -0.019 0.000 0.808 108 A HN 0.458 nan 8.150 nan 0.000 0.455 109 T N -2.727 111.795 114.554 -0.052 0.000 2.990 109 T HA 0.373 4.725 4.350 0.003 0.000 0.250 109 T C 1.231 175.892 174.700 -0.065 0.000 1.041 109 T CA 1.304 63.373 62.100 -0.052 0.000 1.010 109 T CB -0.151 68.687 68.868 -0.049 0.000 1.003 109 T HN 1.428 nan 8.240 nan 0.000 0.499 110 G N 2.049 110.797 108.800 -0.086 0.000 2.148 110 G HA2 -0.217 3.745 3.960 0.003 0.000 0.254 110 G HA3 -0.217 3.745 3.960 0.003 0.000 0.254 110 G C -0.037 174.797 174.900 -0.112 0.000 0.981 110 G CA 0.177 45.219 45.100 -0.096 0.000 0.670 110 G HN 0.536 nan 8.290 nan 0.000 0.528 111 K N 1.538 121.865 120.400 -0.121 0.000 2.234 111 K HA 0.370 4.693 4.320 0.003 0.000 0.282 111 K C -2.311 174.191 176.600 -0.163 0.000 1.039 111 K CA -1.769 54.447 56.287 -0.118 0.000 0.928 111 K CB 1.548 33.995 32.500 -0.089 0.000 1.039 111 K HN 0.044 nan 8.250 nan 0.000 0.470 112 P HA -0.042 nan 4.420 nan 0.000 0.261 112 P C -0.985 176.227 177.300 -0.148 0.000 1.203 112 P CA 0.096 63.090 63.100 -0.177 0.000 0.767 112 P CB 0.579 32.184 31.700 -0.159 0.000 0.785 113 A N 5.525 128.262 122.820 -0.139 0.000 3.258 113 A HA 0.502 4.824 4.320 0.003 0.000 0.318 113 A C -2.519 175.098 177.584 0.055 0.000 0.990 113 A CA -1.485 50.539 52.037 -0.022 0.000 0.885 113 A CB 0.176 19.211 19.000 0.058 0.000 1.090 113 A HN 0.266 nan 8.150 nan 0.000 0.479 114 P HA 0.233 nan 4.420 nan 0.000 0.268 114 P C 0.413 177.711 177.300 -0.003 0.000 1.205 114 P CA 0.156 63.200 63.100 -0.093 0.000 0.771 114 P CB 0.558 32.098 31.700 -0.267 0.000 0.858 115 M N 1.595 121.213 119.600 0.031 0.000 2.405 115 M HA 0.251 4.733 4.480 0.003 0.000 0.292 115 M C -0.278 176.063 176.300 0.070 0.000 1.111 115 M CA 0.249 55.566 55.300 0.028 0.000 0.979 115 M CB 0.461 33.052 32.600 -0.014 0.000 1.426 115 M HN 0.192 nan 8.290 nan 0.000 0.509 116 I N 0.221 120.866 120.570 0.126 0.000 2.647 116 I HA 0.301 4.473 4.170 0.003 0.000 0.295 116 I C 0.398 176.660 176.117 0.241 0.000 1.078 116 I CA -0.692 60.722 61.300 0.191 0.000 1.048 116 I CB 2.125 40.277 38.000 0.254 0.000 1.239 116 I HN 0.099 nan 8.210 nan 0.000 0.421 117 S N 3.184 118.995 115.700 0.184 0.000 2.593 117 S HA 0.149 4.621 4.470 0.003 0.000 0.269 117 S C 0.708 175.458 174.600 0.251 0.000 1.334 117 S CA -0.458 57.848 58.200 0.176 0.000 1.015 117 S CB 1.135 64.406 63.200 0.118 0.000 0.912 117 S HN 0.540 nan 8.310 nan 0.000 0.541 118 D N 1.178 121.733 120.400 0.259 0.000 2.116 118 D HA -0.165 4.477 4.640 0.003 0.000 0.193 118 D C 1.448 177.838 176.300 0.150 0.000 0.998 118 D CA 1.832 55.988 54.000 0.259 0.000 0.836 118 D CB -0.556 40.361 40.800 0.196 0.000 0.951 118 D HN 0.823 nan 8.370 nan 0.000 0.449 119 D N 0.274 120.746 120.400 0.120 0.000 2.104 119 D HA -0.132 4.510 4.640 0.003 0.000 0.194 119 D C 2.013 178.354 176.300 0.068 0.000 0.994 119 D CA 0.830 54.881 54.000 0.085 0.000 0.830 119 D CB -0.025 40.824 40.800 0.082 0.000 0.959 119 D HN 0.034 nan 8.370 nan 0.000 0.452 120 V N -0.235 119.729 119.914 0.083 0.000 2.446 120 V HA -0.145 3.977 4.120 0.003 0.000 0.244 120 V C 2.096 178.202 176.094 0.020 0.000 1.039 120 V CA 1.368 63.709 62.300 0.069 0.000 1.045 120 V CB -0.832 31.051 31.823 0.100 0.000 0.681 120 V HN 0.264 nan 8.190 nan 0.000 0.459 121 Y N 2.279 122.487 120.300 -0.153 0.000 2.081 121 Y HA -0.318 4.234 4.550 0.003 0.000 0.280 121 Y C 2.538 178.279 175.900 -0.264 0.000 1.163 121 Y CA 2.237 60.128 58.100 -0.348 0.000 1.135 121 Y CB -0.461 37.458 38.460 -0.902 0.000 0.970 121 Y HN 0.299 nan 8.280 nan 0.000 0.498 122 N N 0.664 119.257 118.700 -0.178 0.000 2.043 122 N HA -0.239 4.503 4.740 0.003 0.000 0.193 122 N C 2.023 177.435 175.510 -0.164 0.000 1.037 122 N CA 2.183 55.125 53.050 -0.180 0.000 0.851 122 N CB -0.671 37.799 38.487 -0.029 0.000 1.027 122 N HN 0.476 nan 8.380 nan 0.000 0.422 123 I N 0.776 121.297 120.570 -0.082 0.000 2.118 123 I HA -0.265 3.907 4.170 0.003 0.000 0.241 123 I C 2.289 178.367 176.117 -0.066 0.000 1.070 123 I CA 0.986 62.260 61.300 -0.044 0.000 1.327 123 I CB -0.468 37.538 38.000 0.009 0.000 1.034 123 I HN -0.078 nan 8.210 nan 0.000 0.405 124 V N 0.369 120.229 119.914 -0.089 0.000 2.287 124 V HA -0.325 3.797 4.120 0.003 0.000 0.248 124 V C 2.554 178.551 176.094 -0.162 0.000 1.053 124 V CA 1.727 63.979 62.300 -0.080 0.000 1.027 124 V CB -0.470 31.276 31.823 -0.128 0.000 0.646 124 V HN 0.367 nan 8.190 nan 0.000 0.447 125 M N -0.347 119.065 119.600 -0.313 0.000 2.108 125 M HA -0.169 4.314 4.480 0.003 0.000 0.261 125 M C 1.935 178.139 176.300 -0.160 0.000 1.066 125 M CA 1.462 56.580 55.300 -0.303 0.000 1.107 125 M CB -1.286 31.040 32.600 -0.457 0.000 1.356 125 M HN 0.450 nan 8.290 nan 0.000 0.406 126 E N -0.594 119.532 120.200 -0.124 0.000 2.494 126 E HA -0.036 4.316 4.350 0.003 0.000 0.193 126 E C 0.238 176.811 176.600 -0.046 0.000 1.074 126 E CA 0.260 56.617 56.400 -0.071 0.000 0.867 126 E CB -0.198 29.470 29.700 -0.053 0.000 0.924 126 E HN 0.629 nan 8.360 nan 0.000 0.502 127 N N -0.448 118.226 118.700 -0.044 0.000 2.110 127 N HA -0.028 4.714 4.740 0.003 0.000 0.230 127 N C 0.823 176.329 175.510 -0.005 0.000 1.353 127 N CA -0.101 52.938 53.050 -0.019 0.000 0.807 127 N CB 0.501 38.983 38.487 -0.008 0.000 1.244 127 N HN 0.007 nan 8.380 nan 0.000 0.504 128 K N 0.796 121.187 120.400 -0.016 0.000 2.074 128 K HA -0.190 4.132 4.320 0.003 0.000 0.209 128 K C 0.413 177.032 176.600 0.031 0.000 1.048 128 K CA 1.776 58.070 56.287 0.011 0.000 0.926 128 K CB -0.100 32.385 32.500 -0.025 0.000 0.713 128 K HN -0.016 nan 8.250 nan 0.000 0.444 129 D N 1.038 121.445 120.400 0.011 0.000 2.117 129 D HA -0.109 4.533 4.640 0.003 0.000 0.198 129 D C 1.878 178.181 176.300 0.006 0.000 0.982 129 D CA 1.218 55.226 54.000 0.013 0.000 0.828 129 D CB -0.090 40.712 40.800 0.004 0.000 0.967 129 D HN 0.188 nan 8.370 nan 0.000 0.464 130 K N 0.160 120.557 120.400 -0.004 0.000 2.026 130 K HA -0.069 4.253 4.320 0.003 0.000 0.208 130 K C 1.885 178.461 176.600 -0.041 0.000 1.048 130 K CA 0.527 56.802 56.287 -0.021 0.000 0.929 130 K CB -0.244 32.242 32.500 -0.022 0.000 0.713 130 K HN -0.024 nan 8.250 nan 0.000 0.439 131 L N 1.337 122.548 121.223 -0.020 0.000 2.005 131 L HA -0.145 4.197 4.340 0.003 0.000 0.207 131 L C 1.808 178.640 176.870 -0.064 0.000 1.072 131 L CA 1.650 56.458 54.840 -0.053 0.000 0.744 131 L CB -1.667 40.444 42.059 0.086 0.000 0.895 131 L HN 0.261 nan 8.230 nan 0.000 0.433 132 N N 0.222 118.962 118.700 0.066 0.000 2.091 132 N HA -0.179 4.563 4.740 0.003 0.000 0.193 132 N C 1.802 177.342 175.510 0.050 0.000 1.021 132 N CA 1.767 54.885 53.050 0.114 0.000 0.862 132 N CB -0.320 38.243 38.487 0.127 0.000 1.018 132 N HN 0.479 nan 8.380 nan 0.000 0.429 133 S N -1.181 114.521 115.700 0.003 0.000 2.575 133 S HA 0.397 4.869 4.470 0.003 0.000 0.215 133 S C 1.576 176.142 174.600 -0.056 0.000 0.966 133 S CA 0.188 58.387 58.200 -0.001 0.000 0.911 133 S CB 0.417 63.621 63.200 0.007 0.000 0.780 133 S HN 0.322 nan 8.310 nan 0.000 0.514 134 A N 1.456 124.191 122.820 -0.143 0.000 2.030 134 A HA 0.437 4.760 4.320 0.003 0.000 0.215 134 A C 0.854 178.258 177.584 -0.301 0.000 1.164 134 A CA -0.024 51.886 52.037 -0.212 0.000 0.697 134 A CB -0.368 18.453 19.000 -0.298 0.000 0.827 134 A HN 0.585 nan 8.150 nan 0.000 0.457 135 I N 1.470 121.806 120.570 -0.391 0.000 2.533 135 I HA 0.085 4.257 4.170 0.003 0.000 0.284 135 I C -0.706 175.244 176.117 -0.277 0.000 1.109 135 I CA -0.090 60.920 61.300 -0.482 0.000 1.412 135 I CB 1.374 38.945 38.000 -0.715 0.000 1.396 135 I HN -0.124 nan 8.210 nan 0.000 0.543 136 V N 8.055 127.891 119.914 -0.129 0.000 2.288 136 V HA 0.071 4.193 4.120 0.003 0.000 0.266 136 V C 0.249 176.279 176.094 -0.106 0.000 1.048 136 V CA -0.317 61.951 62.300 -0.053 0.000 0.842 136 V CB 0.046 31.881 31.823 0.019 0.000 1.064 136 V HN 0.598 nan 8.190 nan 0.000 0.472 137 Y N 0.542 120.848 120.300 0.009 0.000 2.639 137 Y HA -0.121 4.431 4.550 0.004 0.000 0.297 137 Y C 2.092 178.009 175.900 0.029 0.000 1.151 137 Y CA 0.710 58.788 58.100 -0.035 0.000 1.335 137 Y CB -0.193 38.184 38.460 -0.138 0.000 0.994 137 Y HN 0.570 nan 8.280 nan 0.000 0.548 138 D N 0.414 120.930 120.400 0.193 0.000 2.104 138 D HA -0.186 4.456 4.640 0.003 0.000 0.194 138 D C 1.918 178.332 176.300 0.189 0.000 0.994 138 D CA 1.266 55.414 54.000 0.246 0.000 0.830 138 D CB -0.155 40.728 40.800 0.138 0.000 0.959 138 D HN 0.397 nan 8.370 nan 0.000 0.452 139 R N 0.673 121.197 120.500 0.040 0.000 2.249 139 R HA -0.112 4.230 4.340 0.003 0.000 0.230 139 R C 1.627 177.856 176.300 -0.117 0.000 1.121 139 R CA 0.699 56.759 56.100 -0.066 0.000 0.997 139 R CB -0.053 30.169 30.300 -0.130 0.000 0.867 139 R HN 0.141 nan 8.270 nan 0.000 0.465 140 D N 0.351 120.716 120.400 -0.059 0.000 2.182 140 D HA -0.136 4.506 4.640 0.003 0.000 0.201 140 D C -0.017 176.155 176.300 -0.214 0.000 0.986 140 D CA 1.104 55.058 54.000 -0.076 0.000 0.847 140 D CB -0.067 40.668 40.800 -0.109 0.000 0.942 140 D HN 0.092 nan 8.370 nan 0.000 0.467 141 F N 0.561 120.515 119.950 0.007 0.000 2.515 141 F HA 0.312 4.841 4.527 0.003 0.000 0.353 141 F C 0.978 176.689 175.800 -0.148 0.000 1.213 141 F CA 0.084 58.050 58.000 -0.057 0.000 1.194 141 F CB 0.394 39.375 39.000 -0.031 0.000 1.488 141 F HN -0.223 nan 8.300 nan 0.000 0.619 142 Q N 0.572 120.293 119.800 -0.132 0.000 1.689 142 Q HA 0.078 4.420 4.340 0.003 0.000 0.164 142 Q C -0.151 175.606 176.000 -0.405 0.000 0.800 142 Q CA 0.066 55.695 55.803 -0.290 0.000 0.795 142 Q CB -0.134 28.356 28.738 -0.415 0.000 1.246 142 Q HN 0.761 nan 8.270 nan 0.000 0.364 143 Y N -0.118 120.179 120.300 -0.005 0.000 2.426 143 Y HA 0.197 4.749 4.550 0.003 0.000 0.249 143 Y C 0.588 176.502 175.900 0.024 0.000 1.103 143 Y CA 0.356 58.456 58.100 0.000 0.000 1.256 143 Y CB 1.439 39.938 38.460 0.066 0.000 1.208 143 Y HN 0.188 nan 8.280 nan 0.000 0.519 144 S N -1.003 114.792 115.700 0.159 0.000 3.423 144 S HA -0.356 4.116 4.470 0.003 0.000 0.847 144 S C 0.348 175.056 174.600 0.179 0.000 1.172 144 S CA 0.326 58.615 58.200 0.148 0.000 0.998 144 S CB -1.141 62.145 63.200 0.143 0.000 0.656 144 S HN 0.480 nan 8.310 nan 0.000 0.293 145 Y N 3.088 123.365 120.300 -0.037 0.000 2.097 145 Y HA -0.001 4.551 4.550 0.003 0.000 0.282 145 Y C 1.830 177.627 175.900 -0.172 0.000 1.152 145 Y CA 2.334 60.318 58.100 -0.194 0.000 1.136 145 Y CB -0.692 37.470 38.460 -0.497 0.000 0.975 145 Y HN 0.685 nan 8.280 nan 0.000 0.498 146 F N -0.464 119.494 119.950 0.013 0.000 2.367 146 F HA 0.091 4.621 4.527 0.004 0.000 0.298 146 F C 2.556 178.316 175.800 -0.067 0.000 1.094 146 F CA 0.923 58.865 58.000 -0.095 0.000 1.409 146 F CB -1.096 37.911 39.000 0.012 0.000 1.064 146 F HN 0.086 nan 8.300 nan 0.000 0.528 147 G N 0.150 109.043 108.800 0.155 0.000 2.453 147 G HA2 -0.311 3.651 3.960 0.003 0.000 0.215 147 G HA3 -0.311 3.651 3.960 0.003 0.000 0.215 147 G C 1.627 176.518 174.900 -0.015 0.000 1.201 147 G CA 0.776 45.924 45.100 0.080 0.000 0.784 147 G HN 0.351 nan 8.290 nan 0.000 0.545 148 F N 1.774 121.659 119.950 -0.108 0.000 2.095 148 F HA -0.043 4.486 4.527 0.003 0.000 0.298 148 F C 2.507 178.188 175.800 -0.199 0.000 1.104 148 F CA 1.878 59.763 58.000 -0.191 0.000 1.232 148 F CB 0.064 39.005 39.000 -0.098 0.000 0.987 148 F HN -0.062 nan 8.300 nan 0.000 0.475 149 K N 0.124 120.354 120.400 -0.283 0.000 2.362 149 K HA -0.075 4.247 4.320 0.003 0.000 0.200 149 K C 1.937 178.380 176.600 -0.262 0.000 1.046 149 K CA 1.396 57.459 56.287 -0.373 0.000 0.952 149 K CB -0.786 31.486 32.500 -0.381 0.000 0.753 149 K HN 0.361 nan 8.250 nan 0.000 0.466 150 T N 2.129 116.580 114.554 -0.172 0.000 2.737 150 T HA -0.064 4.288 4.350 0.003 0.000 0.265 150 T C 2.041 176.733 174.700 -0.013 0.000 1.038 150 T CA 0.850 62.920 62.100 -0.050 0.000 1.144 150 T CB -0.139 68.718 68.868 -0.019 0.000 0.866 150 T HN 0.113 nan 8.240 nan 0.000 0.434 151 L N 0.795 121.894 121.223 -0.206 0.000 2.017 151 L HA -0.114 4.229 4.340 0.003 0.000 0.208 151 L C 2.978 179.724 176.870 -0.207 0.000 1.073 151 L CA 1.458 56.184 54.840 -0.190 0.000 0.745 151 L CB -0.522 41.256 42.059 -0.467 0.000 0.894 151 L HN 0.316 nan 8.230 nan 0.000 0.432 152 E N 0.759 120.658 120.200 -0.503 0.000 2.031 152 E HA -0.290 4.062 4.350 0.003 0.000 0.193 152 E C 2.295 178.781 176.600 -0.191 0.000 0.994 152 E CA 1.496 57.642 56.400 -0.424 0.000 0.800 152 E CB -0.061 29.267 29.700 -0.619 0.000 0.752 152 E HN 0.308 nan 8.360 nan 0.000 0.447 153 R N -0.422 119.984 120.500 -0.157 0.000 2.117 153 R HA -0.112 4.230 4.340 0.003 0.000 0.243 153 R C 1.829 178.080 176.300 -0.081 0.000 1.143 153 R CA 2.067 58.114 56.100 -0.089 0.000 0.968 153 R CB 0.079 30.343 30.300 -0.060 0.000 0.863 153 R HN 0.067 nan 8.270 nan 0.000 0.444 154 S N -2.290 113.375 115.700 -0.059 0.000 2.930 154 S HA 0.134 4.606 4.470 0.003 0.000 0.253 154 S C 1.074 175.579 174.600 -0.159 0.000 1.083 154 S CA -0.309 57.793 58.200 -0.163 0.000 0.836 154 S CB 0.006 63.049 63.200 -0.261 0.000 0.814 154 S HN 0.245 nan 8.310 nan 0.000 0.467 155 Y N 2.202 122.549 120.300 0.079 0.000 2.301 155 Y HA 0.366 4.918 4.550 0.003 0.000 0.295 155 Y C 0.787 176.729 175.900 0.070 0.000 1.119 155 Y CA 0.048 58.231 58.100 0.140 0.000 1.162 155 Y CB -0.279 38.189 38.460 0.014 0.000 1.046 155 Y HN 0.072 nan 8.280 nan 0.000 0.538 156 L N 1.771 123.065 121.223 0.118 0.000 2.453 156 L HA 0.035 4.377 4.340 0.003 0.000 0.272 156 L C -0.189 176.702 176.870 0.035 0.000 1.182 156 L CA -0.106 54.776 54.840 0.069 0.000 0.858 156 L CB 0.276 42.346 42.059 0.018 0.000 1.120 156 L HN 0.079 nan 8.230 nan 0.000 0.474 157 L N 4.279 125.528 121.223 0.043 0.000 2.455 157 L HA 0.202 4.544 4.340 0.003 0.000 0.272 157 L C 0.494 177.327 176.870 -0.061 0.000 1.174 157 L CA 0.173 55.005 54.840 -0.013 0.000 0.869 157 L CB 0.193 42.252 42.059 -0.001 0.000 1.130 157 L HN 0.640 nan 8.230 nan 0.000 0.474 158 R N 2.454 122.883 120.500 -0.120 0.000 2.758 158 R HA 0.435 4.777 4.340 0.003 0.000 0.265 158 R C 0.188 176.324 176.300 -0.275 0.000 1.016 158 R CA -0.756 55.258 56.100 -0.144 0.000 1.040 158 R CB 1.995 32.225 30.300 -0.117 0.000 1.152 158 R HN 0.495 nan 8.270 nan 0.000 0.503 159 I N 0.226 120.653 120.570 -0.237 0.000 4.049 159 I HA 0.094 4.266 4.170 0.003 0.000 0.237 159 I C -0.146 175.877 176.117 -0.157 0.000 1.076 159 I CA 0.378 61.467 61.300 -0.351 0.000 1.610 159 I CB 0.489 38.411 38.000 -0.130 0.000 1.544 159 I HN 0.422 nan 8.210 nan 0.000 0.458 160 N N 1.026 119.727 118.700 0.001 0.000 2.914 160 N HA 0.401 5.143 4.740 0.003 0.000 0.304 160 N C 0.325 175.840 175.510 0.008 0.000 1.727 160 N CA 0.596 53.677 53.050 0.052 0.000 0.986 160 N CB 0.717 39.255 38.487 0.086 0.000 1.297 160 N HN 0.548 nan 8.380 nan 0.000 0.490 161 G N 0.039 108.823 108.800 -0.026 0.000 2.168 161 G HA2 -0.286 3.676 3.960 0.003 0.000 0.263 161 G HA3 -0.286 3.676 3.960 0.003 0.000 0.263 161 G C 0.091 174.976 174.900 -0.025 0.000 0.977 161 G CA 0.023 45.106 45.100 -0.029 0.000 0.659 161 G HN 0.423 nan 8.290 nan 0.000 0.533 162 Q N 0.351 120.136 119.800 -0.025 0.000 2.307 162 Q HA 0.486 4.829 4.340 0.003 0.000 0.262 162 Q C 0.568 176.556 176.000 -0.020 0.000 0.961 162 Q CA -0.546 55.251 55.803 -0.010 0.000 0.882 162 Q CB 1.868 30.610 28.738 0.006 0.000 1.264 162 Q HN 0.204 nan 8.270 nan 0.000 0.446 163 V N 2.958 122.871 119.914 -0.003 0.000 2.539 163 V HA -0.083 4.039 4.120 0.003 0.000 0.300 163 V C 0.991 177.102 176.094 0.028 0.000 1.019 163 V CA 1.133 63.438 62.300 0.009 0.000 1.160 163 V CB 0.519 32.363 31.823 0.034 0.000 0.901 163 V HN 0.895 nan 8.190 nan 0.000 0.481 164 A N 4.280 127.111 122.820 0.018 0.000 2.469 164 A HA 0.329 4.651 4.320 0.003 0.000 0.245 164 A C 0.643 178.266 177.584 0.066 0.000 1.221 164 A CA -0.146 51.904 52.037 0.021 0.000 0.946 164 A CB 0.233 19.214 19.000 -0.032 0.000 1.049 164 A HN 0.758 nan 8.150 nan 0.000 0.529 165 E N 0.653 120.930 120.200 0.128 0.000 2.210 165 E HA 0.383 4.735 4.350 0.003 0.000 0.266 165 E C -0.718 176.098 176.600 0.361 0.000 0.883 165 E CA -0.673 55.881 56.400 0.256 0.000 0.761 165 E CB 1.704 31.523 29.700 0.198 0.000 1.156 165 E HN 0.347 nan 8.360 nan 0.000 0.412 166 R N 2.802 123.708 120.500 0.677 0.000 2.560 166 R HA 0.159 4.501 4.340 0.003 0.000 0.270 166 R C -1.723 174.698 176.300 0.201 0.000 1.074 166 R CA -1.665 54.646 56.100 0.352 0.000 1.140 166 R CB 0.281 30.684 30.300 0.172 0.000 1.073 166 R HN 0.254 nan 8.270 nan 0.000 0.527 167 P HA -0.185 nan 4.420 nan 0.000 0.217 167 P C 0.753 178.098 177.300 0.075 0.000 1.148 167 P CA 1.246 64.403 63.100 0.096 0.000 0.828 167 P CB 0.294 32.099 31.700 0.175 0.000 0.783 168 Q N -1.652 118.147 119.800 -0.000 0.000 2.187 168 Q HA -0.122 4.220 4.340 0.003 0.000 0.199 168 Q C 2.056 178.040 176.000 -0.028 0.000 0.957 168 Q CA 1.451 57.215 55.803 -0.064 0.000 0.857 168 Q CB -1.053 27.494 28.738 -0.318 0.000 0.929 168 Q HN 0.569 nan 8.270 nan 0.000 0.453 169 H N 0.612 119.800 119.070 0.196 0.000 2.326 169 H HA -0.054 4.504 4.556 0.003 0.000 0.301 169 H C 2.093 177.572 175.328 0.252 0.000 1.081 169 H CA 0.746 56.979 56.048 0.308 0.000 1.334 169 H CB -0.007 30.008 29.762 0.422 0.000 1.385 169 H HN 0.031 nan 8.280 nan 0.000 0.504 170 L N 1.396 122.801 121.223 0.303 0.000 2.010 170 L HA -0.239 4.103 4.340 0.003 0.000 0.219 170 L C 2.046 179.009 176.870 0.155 0.000 1.077 170 L CA 1.949 56.910 54.840 0.203 0.000 0.773 170 L CB -0.887 41.246 42.059 0.123 0.000 0.892 170 L HN 0.391 nan 8.230 nan 0.000 0.436 171 I N -0.957 119.681 120.570 0.114 0.000 2.252 171 I HA -0.323 3.849 4.170 0.003 0.000 0.245 171 I C 2.549 178.747 176.117 0.136 0.000 1.102 171 I CA 1.233 62.584 61.300 0.085 0.000 1.385 171 I CB -0.304 37.703 38.000 0.011 0.000 1.064 171 I HN 0.336 nan 8.210 nan 0.000 0.414 172 M N 1.204 120.860 119.600 0.094 0.000 2.099 172 M HA -0.186 4.297 4.480 0.003 0.000 0.262 172 M C 2.371 178.673 176.300 0.002 0.000 1.067 172 M CA 1.753 56.970 55.300 -0.137 0.000 1.124 172 M CB -0.666 31.407 32.600 -0.878 0.000 1.353 172 M HN 0.028 nan 8.290 nan 0.000 0.410 173 R N -0.545 120.078 120.500 0.204 0.000 2.094 173 R HA -0.153 4.189 4.340 0.003 0.000 0.239 173 R C 1.774 178.176 176.300 0.170 0.000 1.137 173 R CA 2.423 58.707 56.100 0.307 0.000 0.943 173 R CB -0.812 29.689 30.300 0.335 0.000 0.850 173 R HN 0.338 nan 8.270 nan 0.000 0.433 174 V N 1.375 121.363 119.914 0.124 0.000 2.332 174 V HA -0.272 3.850 4.120 0.003 0.000 0.248 174 V C 2.626 178.741 176.094 0.035 0.000 1.055 174 V CA 2.011 64.345 62.300 0.058 0.000 1.038 174 V CB -0.992 30.848 31.823 0.028 0.000 0.651 174 V HN 0.627 nan 8.190 nan 0.000 0.450 175 A N -0.156 122.714 122.820 0.084 0.000 1.883 175 A HA -0.168 4.154 4.320 0.003 0.000 0.217 175 A C 2.160 179.837 177.584 0.154 0.000 1.186 175 A CA 1.757 53.881 52.037 0.145 0.000 0.624 175 A CB -0.576 18.537 19.000 0.189 0.000 0.822 175 A HN 0.384 nan 8.150 nan 0.000 0.444 176 L N -0.214 121.088 121.223 0.131 0.000 2.012 176 L HA -0.133 4.209 4.340 0.003 0.000 0.210 176 L C 2.750 179.678 176.870 0.097 0.000 1.073 176 L CA 2.105 57.025 54.840 0.133 0.000 0.748 176 L CB -2.008 40.149 42.059 0.163 0.000 0.891 176 L HN 0.448 nan 8.230 nan 0.000 0.431 177 G N -0.842 108.004 108.800 0.077 0.000 2.462 177 G HA2 -0.215 3.747 3.960 0.003 0.000 0.220 177 G HA3 -0.215 3.747 3.960 0.003 0.000 0.220 177 G C 1.731 176.624 174.900 -0.011 0.000 1.121 177 G CA 0.754 45.881 45.100 0.044 0.000 0.758 177 G HN 0.386 nan 8.290 nan 0.000 0.559 178 I N -0.825 119.699 120.570 -0.077 0.000 2.296 178 I HA 0.008 4.180 4.170 0.003 0.000 0.242 178 I C 2.347 178.328 176.117 -0.226 0.000 1.087 178 I CA 0.716 61.883 61.300 -0.220 0.000 1.393 178 I CB -0.153 37.589 38.000 -0.430 0.000 1.093 178 I HN 0.115 nan 8.210 nan 0.000 0.421 179 H N 0.477 119.566 119.070 0.033 0.000 2.547 179 H HA 0.175 4.733 4.556 0.003 0.000 0.272 179 H C 1.602 176.952 175.328 0.036 0.000 0.971 179 H CA 0.860 56.930 56.048 0.037 0.000 1.245 179 H CB 0.185 29.971 29.762 0.040 0.000 1.440 179 H HN 0.419 nan 8.280 nan 0.000 0.540 180 G N 1.899 110.780 108.800 0.135 0.000 2.596 180 G HA2 -0.395 3.567 3.960 0.003 0.000 0.304 180 G HA3 -0.395 3.567 3.960 0.003 0.000 0.304 180 G C 1.193 176.146 174.900 0.089 0.000 1.189 180 G CA 0.481 45.638 45.100 0.095 0.000 0.986 180 G HN 0.384 nan 8.290 nan 0.000 0.548 181 R N 1.467 122.008 120.500 0.069 0.000 2.307 181 R HA 0.043 4.385 4.340 0.003 0.000 0.199 181 R C 0.630 176.956 176.300 0.044 0.000 1.000 181 R CA 0.611 56.740 56.100 0.049 0.000 1.023 181 R CB -0.144 30.178 30.300 0.037 0.000 0.908 181 R HN 0.466 nan 8.270 nan 0.000 0.473 182 D N 1.685 122.123 120.400 0.062 0.000 2.498 182 D HA -0.003 4.639 4.640 0.003 0.000 0.229 182 D C 1.259 177.561 176.300 0.003 0.000 1.188 182 D CA -0.089 53.931 54.000 0.034 0.000 1.028 182 D CB 0.241 41.072 40.800 0.051 0.000 1.087 182 D HN -0.060 nan 8.370 nan 0.000 0.510 183 I N 1.859 122.427 120.570 -0.003 0.000 2.226 183 I HA -0.194 3.978 4.170 0.003 0.000 0.245 183 I C 2.016 178.104 176.117 -0.047 0.000 1.100 183 I CA 0.767 62.057 61.300 -0.016 0.000 1.374 183 I CB -0.655 37.338 38.000 -0.013 0.000 1.057 183 I HN 0.295 nan 8.210 nan 0.000 0.413 184 E N 1.375 121.543 120.200 -0.053 0.000 2.033 184 E HA -0.196 4.156 4.350 0.003 0.000 0.199 184 E C 2.340 178.870 176.600 -0.117 0.000 1.011 184 E CA 1.969 58.329 56.400 -0.066 0.000 0.815 184 E CB -0.496 29.172 29.700 -0.052 0.000 0.755 184 E HN 0.434 nan 8.360 nan 0.000 0.451 185 A N 0.637 123.337 122.820 -0.200 0.000 1.908 185 A HA -0.175 4.147 4.320 0.003 0.000 0.218 185 A C 2.380 179.655 177.584 -0.516 0.000 1.181 185 A CA 2.476 54.248 52.037 -0.441 0.000 0.627 185 A CB -0.941 17.637 19.000 -0.704 0.000 0.818 185 A HN 0.311 nan 8.150 nan 0.000 0.445 186 A N -0.506 122.139 122.820 -0.292 0.000 1.883 186 A HA -0.050 4.272 4.320 0.003 0.000 0.217 186 A C 1.974 179.573 177.584 0.026 0.000 1.186 186 A CA 1.757 53.783 52.037 -0.019 0.000 0.624 186 A CB -0.490 18.543 19.000 0.055 0.000 0.822 186 A HN 0.393 nan 8.150 nan 0.000 0.444 187 L N -0.113 121.100 121.223 -0.018 0.000 2.093 187 L HA -0.120 4.223 4.340 0.003 0.000 0.208 187 L C 2.392 179.308 176.870 0.076 0.000 1.085 187 L CA 2.095 56.949 54.840 0.023 0.000 0.755 187 L CB -1.544 40.500 42.059 -0.025 0.000 0.904 187 L HN 0.672 nan 8.230 nan 0.000 0.435 188 E N -0.461 119.745 120.200 0.011 0.000 2.051 188 E HA -0.198 4.154 4.350 0.003 0.000 0.192 188 E C 1.922 178.574 176.600 0.086 0.000 0.991 188 E CA 1.800 58.214 56.400 0.023 0.000 0.799 188 E CB 0.188 29.875 29.700 -0.021 0.000 0.748 188 E HN 0.369 nan 8.360 nan 0.000 0.449 189 T N 0.211 114.843 114.554 0.130 0.000 2.720 189 T HA -0.215 4.137 4.350 0.003 0.000 0.268 189 T C 1.455 176.222 174.700 0.112 0.000 1.037 189 T CA 1.579 63.838 62.100 0.265 0.000 1.144 189 T CB -0.558 68.569 68.868 0.432 0.000 0.864 189 T HN 0.371 nan 8.240 nan 0.000 0.444 190 Y N 2.740 123.040 120.300 -0.001 0.000 2.070 190 Y HA -0.226 4.326 4.550 0.004 0.000 0.280 190 Y C 2.352 178.200 175.900 -0.086 0.000 1.148 190 Y CA 1.583 59.642 58.100 -0.069 0.000 1.125 190 Y CB -0.569 37.828 38.460 -0.106 0.000 0.975 190 Y HN 0.101 nan 8.280 nan 0.000 0.492 191 N N 0.629 119.312 118.700 -0.029 0.000 2.061 191 N HA -0.217 4.525 4.740 0.003 0.000 0.193 191 N C 1.896 177.304 175.510 -0.169 0.000 1.030 191 N CA 2.102 55.081 53.050 -0.118 0.000 0.856 191 N CB -0.665 37.838 38.487 0.027 0.000 1.023 191 N HN 0.447 nan 8.380 nan 0.000 0.424 192 L N 0.220 121.380 121.223 -0.105 0.000 2.141 192 L HA -0.046 4.296 4.340 0.003 0.000 0.209 192 L C 2.401 179.130 176.870 -0.234 0.000 1.094 192 L CA 0.815 55.620 54.840 -0.058 0.000 0.763 192 L CB -0.258 41.843 42.059 0.069 0.000 0.908 192 L HN 0.144 nan 8.230 nan 0.000 0.437 193 M N -0.674 118.649 119.600 -0.462 0.000 2.160 193 M HA -0.122 4.360 4.480 0.003 0.000 0.264 193 M C 2.645 178.722 176.300 -0.371 0.000 1.073 193 M CA 1.750 56.728 55.300 -0.537 0.000 1.142 193 M CB -0.291 32.022 32.600 -0.478 0.000 1.358 193 M HN 0.347 nan 8.290 nan 0.000 0.422 194 S N 0.958 116.369 115.700 -0.481 0.000 2.400 194 S HA -0.106 4.367 4.470 0.003 0.000 0.232 194 S C 1.610 176.024 174.600 -0.310 0.000 1.025 194 S CA 1.058 58.977 58.200 -0.469 0.000 0.993 194 S CB -0.891 61.815 63.200 -0.823 0.000 0.808 194 S HN 0.503 nan 8.310 nan 0.000 0.478 195 L N 0.526 121.610 121.223 -0.231 0.000 2.591 195 L HA 0.285 4.627 4.340 0.003 0.000 0.228 195 L C 0.415 177.113 176.870 -0.287 0.000 1.133 195 L CA -0.010 54.718 54.840 -0.186 0.000 0.880 195 L CB -0.572 41.489 42.059 0.002 0.000 1.033 195 L HN 0.218 nan 8.230 nan 0.000 0.450 196 K N -1.269 118.989 120.400 -0.236 0.000 3.161 196 K HA -0.251 4.071 4.320 0.003 0.000 0.270 196 K C 0.283 176.752 176.600 -0.217 0.000 1.115 196 K CA 0.512 56.681 56.287 -0.196 0.000 0.789 196 K CB -2.047 30.343 32.500 -0.183 0.000 1.256 196 K HN 0.278 nan 8.250 nan 0.000 0.492 197 Y N -0.220 119.986 120.300 -0.156 0.000 2.365 197 Y HA 0.024 4.576 4.550 0.003 0.000 0.293 197 Y C 1.089 177.094 175.900 0.174 0.000 1.119 197 Y CA 1.250 59.305 58.100 -0.075 0.000 1.203 197 Y CB 0.361 38.804 38.460 -0.029 0.000 1.026 197 Y HN 0.364 nan 8.280 nan 0.000 0.549 198 F N -3.820 116.227 119.950 0.160 0.000 2.858 198 F HA 0.636 5.165 4.527 0.003 0.000 0.319 198 F C -1.033 174.813 175.800 0.077 0.000 1.166 198 F CA -1.219 56.848 58.000 0.112 0.000 0.899 198 F CB 1.490 40.548 39.000 0.097 0.000 1.332 198 F HN -0.439 nan 8.300 nan 0.000 0.461 199 T N -0.334 114.399 114.554 0.298 0.000 2.853 199 T HA 0.396 4.748 4.350 0.003 0.000 0.311 199 T C -1.759 173.062 174.700 0.201 0.000 1.307 199 T CA -0.470 61.736 62.100 0.176 0.000 1.019 199 T CB 1.280 70.180 68.868 0.052 0.000 1.264 199 T HN 0.813 nan 8.240 nan 0.000 0.497 200 H N 0.468 119.627 119.070 0.148 0.000 2.517 200 H HA 0.666 5.224 4.556 0.004 0.000 0.346 200 H C 0.640 175.985 175.328 0.030 0.000 1.222 200 H CA -0.526 55.587 56.048 0.107 0.000 1.314 200 H CB 1.513 31.333 29.762 0.098 0.000 1.609 200 H HN 0.827 nan 8.280 nan 0.000 0.571 201 A N 0.663 123.563 122.820 0.133 0.000 2.386 201 A HA 0.038 4.360 4.320 0.003 0.000 0.246 201 A C 1.396 178.977 177.584 -0.005 0.000 1.089 201 A CA 0.050 52.122 52.037 0.059 0.000 0.790 201 A CB 0.125 19.164 19.000 0.065 0.000 1.042 201 A HN 0.798 nan 8.150 nan 0.000 0.497 202 S N 1.046 116.711 115.700 -0.058 0.000 2.370 202 S HA -0.099 4.373 4.470 0.003 0.000 0.226 202 S C -0.755 173.495 174.600 -0.583 0.000 1.033 202 S CA 2.086 60.107 58.200 -0.298 0.000 1.011 202 S CB -1.148 61.927 63.200 -0.207 0.000 0.852 202 S HN 0.687 nan 8.310 nan 0.000 0.457 203 P HA -0.047 nan 4.420 nan 0.000 0.215 203 P C 1.421 178.766 177.300 0.075 0.000 1.153 203 P CA 1.294 64.468 63.100 0.123 0.000 0.853 203 P CB -0.295 31.510 31.700 0.176 0.000 0.788 204 T N -0.426 114.146 114.554 0.030 0.000 2.821 204 T HA -0.057 4.295 4.350 0.003 0.000 0.267 204 T C 1.689 176.398 174.700 0.014 0.000 1.046 204 T CA 1.017 63.137 62.100 0.033 0.000 1.139 204 T CB -0.770 68.134 68.868 0.059 0.000 0.871 204 T HN 0.065 nan 8.240 nan 0.000 0.454 205 L N -0.441 120.758 121.223 -0.041 0.000 2.072 205 L HA 0.060 4.402 4.340 0.003 0.000 0.205 205 L C 2.265 179.199 176.870 0.106 0.000 1.079 205 L CA 1.312 56.151 54.840 -0.001 0.000 0.752 205 L CB -0.699 41.339 42.059 -0.035 0.000 0.906 205 L HN 0.276 nan 8.230 nan 0.000 0.436 206 F N 0.502 120.542 119.950 0.149 0.000 2.134 206 F HA -0.197 4.332 4.527 0.003 0.000 0.299 206 F C 2.150 177.978 175.800 0.046 0.000 1.097 206 F CA 0.839 58.877 58.000 0.063 0.000 1.264 206 F CB -0.116 38.891 39.000 0.012 0.000 1.001 206 F HN 0.224 nan 8.300 nan 0.000 0.479 207 N N -0.341 118.504 118.700 0.241 0.000 2.317 207 N HA 0.169 4.911 4.740 0.003 0.000 0.199 207 N C 0.300 175.870 175.510 0.099 0.000 1.145 207 N CA 0.289 53.430 53.050 0.152 0.000 0.882 207 N CB -0.007 38.566 38.487 0.145 0.000 1.113 207 N HN -0.038 nan 8.380 nan 0.000 0.486 208 A N 0.523 123.393 122.820 0.084 0.000 2.545 208 A HA 0.442 4.764 4.320 0.003 0.000 0.253 208 A C 1.450 179.081 177.584 0.078 0.000 1.074 208 A CA 0.976 53.044 52.037 0.053 0.000 0.760 208 A CB -0.571 18.436 19.000 0.012 0.000 1.005 208 A HN 0.492 nan 8.150 nan 0.000 0.506 209 G N 1.875 110.721 108.800 0.075 0.000 2.241 209 G HA2 -0.198 3.764 3.960 0.003 0.000 0.244 209 G HA3 -0.198 3.764 3.960 0.003 0.000 0.244 209 G C 0.692 175.650 174.900 0.097 0.000 0.998 209 G CA 0.984 46.142 45.100 0.097 0.000 0.621 209 G HN 2.089 nan 8.290 nan 0.000 0.519 210 T N -0.883 113.720 114.554 0.081 0.000 2.874 210 T HA 0.631 4.983 4.350 0.003 0.000 0.281 210 T C -0.569 174.158 174.700 0.044 0.000 0.994 210 T CA -0.686 61.453 62.100 0.065 0.000 1.015 210 T CB 2.193 71.091 68.868 0.049 0.000 1.028 210 T HN -0.036 nan 8.240 nan 0.000 0.523 211 P HA -0.138 nan 4.420 nan 0.000 0.209 211 P C 0.071 177.349 177.300 -0.037 0.000 1.167 211 P CA 1.501 64.603 63.100 0.004 0.000 0.941 211 P CB 0.012 31.694 31.700 -0.029 0.000 0.787 212 K N -0.368 119.955 120.400 -0.128 0.000 2.290 212 K HA 0.271 4.593 4.320 0.003 0.000 0.250 212 K C -2.422 174.093 176.600 -0.141 0.000 1.092 212 K CA -1.692 54.434 56.287 -0.268 0.000 1.006 212 K CB 0.568 32.632 32.500 -0.725 0.000 1.549 212 K HN 0.117 nan 8.250 nan 0.000 0.436 213 P HA -0.000 nan 4.420 nan 0.000 0.268 213 P C -0.751 176.609 177.300 0.100 0.000 1.485 213 P CA -0.345 62.789 63.100 0.056 0.000 1.102 213 P CB 0.463 32.197 31.700 0.057 0.000 1.501 214 Q N 3.297 123.169 119.800 0.120 0.000 2.441 214 Q HA 0.264 4.606 4.340 0.003 0.000 0.234 214 Q C 0.326 176.407 176.000 0.135 0.000 1.078 214 Q CA 0.074 55.978 55.803 0.168 0.000 0.907 214 Q CB 0.577 29.451 28.738 0.226 0.000 1.269 214 Q HN 0.456 nan 8.270 nan 0.000 0.502 215 M N 0.220 119.864 119.600 0.073 0.000 2.382 215 M HA 0.122 4.604 4.480 0.003 0.000 0.247 215 M C 0.449 176.786 176.300 0.062 0.000 1.104 215 M CA 0.036 55.375 55.300 0.065 0.000 1.030 215 M CB 0.725 33.337 32.600 0.021 0.000 1.424 215 M HN 0.164 nan 8.290 nan 0.000 0.486 216 S N 0.115 115.844 115.700 0.048 0.000 2.565 216 S HA 0.157 4.629 4.470 0.003 0.000 0.276 216 S C 1.012 175.648 174.600 0.061 0.000 1.326 216 S CA -0.499 57.689 58.200 -0.020 0.000 1.045 216 S CB 1.371 64.452 63.200 -0.199 0.000 0.918 216 S HN 0.204 nan 8.310 nan 0.000 0.505 217 S N 0.450 116.151 115.700 0.002 0.000 2.483 217 S HA 0.143 4.615 4.470 0.003 0.000 0.221 217 S C 0.330 174.974 174.600 0.073 0.000 1.030 217 S CA -0.088 58.161 58.200 0.082 0.000 0.925 217 S CB 0.139 63.379 63.200 0.067 0.000 0.795 217 S HN 0.767 nan 8.310 nan 0.000 0.511 218 C N 1.500 120.725 119.300 -0.125 0.000 2.563 218 C HA 0.771 5.234 4.460 0.003 0.000 0.314 218 C C -0.926 173.827 174.990 -0.396 0.000 1.199 218 C CA -1.116 57.838 59.018 -0.106 0.000 1.564 218 C CB 0.212 27.904 27.740 -0.080 0.000 2.173 218 C HN 0.372 nan 8.230 nan 0.000 0.485 219 F N 2.325 122.278 119.950 0.005 0.000 2.562 219 F HA 0.547 5.076 4.527 0.003 0.000 0.319 219 F C -0.302 175.461 175.800 -0.061 0.000 1.154 219 F CA -0.665 57.326 58.000 -0.015 0.000 0.931 219 F CB 1.106 40.096 39.000 -0.016 0.000 1.198 219 F HN 0.228 nan 8.300 nan 0.000 0.444 220 L N 5.106 126.364 121.223 0.059 0.000 2.276 220 L HA 0.582 4.924 4.340 0.003 0.000 0.286 220 L C -0.763 176.078 176.870 -0.048 0.000 1.024 220 L CA -0.802 54.016 54.840 -0.036 0.000 0.826 220 L CB 1.348 43.348 42.059 -0.098 0.000 1.211 220 L HN 0.293 nan 8.230 nan 0.000 0.422 221 V N 2.631 122.476 119.914 -0.114 0.000 2.417 221 V HA 0.493 4.615 4.120 0.003 0.000 0.291 221 V C 0.601 176.447 176.094 -0.414 0.000 1.024 221 V CA -0.687 61.503 62.300 -0.182 0.000 0.861 221 V CB 1.679 33.393 31.823 -0.181 0.000 0.985 221 V HN 0.854 nan 8.190 nan 0.000 0.436 222 A N 5.561 128.156 122.820 -0.374 0.000 2.362 222 A HA 0.606 4.928 4.320 0.003 0.000 0.276 222 A C 0.055 177.395 177.584 -0.406 0.000 1.153 222 A CA -0.458 51.226 52.037 -0.588 0.000 0.813 222 A CB 0.182 19.088 19.000 -0.156 0.000 1.081 222 A HN 0.940 nan 8.150 nan 0.000 0.507 223 M N 3.491 122.801 119.600 -0.483 0.000 2.474 223 M HA 0.079 4.561 4.480 0.003 0.000 0.352 223 M C 0.945 177.188 176.300 -0.095 0.000 1.690 223 M CA 0.721 55.884 55.300 -0.227 0.000 1.112 223 M CB -0.199 32.275 32.600 -0.211 0.000 2.062 223 M HN 0.724 nan 8.290 nan 0.000 0.461 224 K N 2.768 123.144 120.400 -0.041 0.000 2.152 224 K HA -0.114 4.208 4.320 0.003 0.000 0.206 224 K C 0.258 176.876 176.600 0.030 0.000 1.048 224 K CA 1.562 57.849 56.287 0.000 0.000 0.933 224 K CB -0.038 32.472 32.500 0.017 0.000 0.721 224 K HN 0.816 nan 8.250 nan 0.000 0.447 225 E N -0.027 120.196 120.200 0.040 0.000 2.470 225 E HA -0.025 4.327 4.350 0.003 0.000 0.287 225 E C -1.930 174.710 176.600 0.067 0.000 1.126 225 E CA -0.399 56.036 56.400 0.059 0.000 0.902 225 E CB 1.054 30.789 29.700 0.058 0.000 1.196 225 E HN -0.112 nan 8.360 nan 0.000 0.430 226 D N 2.416 122.863 120.400 0.077 0.000 2.671 226 D HA 0.201 4.843 4.640 0.003 0.000 0.228 226 D C -1.099 175.246 176.300 0.075 0.000 1.102 226 D CA 0.645 54.694 54.000 0.083 0.000 1.044 226 D CB -0.299 40.558 40.800 0.096 0.000 1.113 226 D HN 0.462 nan 8.370 nan 0.000 0.480 227 S N 0.799 116.547 115.700 0.080 0.000 2.625 227 S HA 0.309 4.782 4.470 0.003 0.000 0.271 227 S C 0.956 175.621 174.600 0.108 0.000 1.161 227 S CA -0.848 57.398 58.200 0.076 0.000 0.820 227 S CB 0.750 63.987 63.200 0.063 0.000 1.137 227 S HN -0.045 nan 8.310 nan 0.000 0.470 228 I N 1.200 121.835 120.570 0.108 0.000 2.394 228 I HA -0.070 4.102 4.170 0.003 0.000 0.251 228 I C 2.516 178.757 176.117 0.206 0.000 1.136 228 I CA 1.458 62.862 61.300 0.174 0.000 1.425 228 I CB -1.130 36.918 38.000 0.079 0.000 1.079 228 I HN 0.863 nan 8.210 nan 0.000 0.425 229 E N 0.841 121.112 120.200 0.118 0.000 2.015 229 E HA -0.154 4.198 4.350 0.003 0.000 0.191 229 E C 2.265 178.939 176.600 0.124 0.000 0.991 229 E CA 1.314 57.778 56.400 0.107 0.000 0.802 229 E CB -0.186 29.552 29.700 0.063 0.000 0.759 229 E HN 0.463 nan 8.360 nan 0.000 0.447 230 G N 1.512 110.372 108.800 0.100 0.000 2.459 230 G HA2 -0.261 3.701 3.960 0.003 0.000 0.217 230 G HA3 -0.261 3.701 3.960 0.003 0.000 0.217 230 G C 1.636 176.592 174.900 0.093 0.000 1.183 230 G CA 0.956 46.105 45.100 0.083 0.000 0.776 230 G HN 0.196 nan 8.290 nan 0.000 0.552 231 I N -0.768 119.870 120.570 0.114 0.000 2.118 231 I HA -0.239 3.933 4.170 0.003 0.000 0.241 231 I C 2.512 178.622 176.117 -0.012 0.000 1.070 231 I CA 1.291 62.648 61.300 0.094 0.000 1.327 231 I CB -0.315 37.746 38.000 0.102 0.000 1.034 231 I HN 0.130 nan 8.210 nan 0.000 0.405 232 Y N 0.724 121.042 120.300 0.030 0.000 2.314 232 Y HA -0.214 4.338 4.550 0.003 0.000 0.293 232 Y C 2.338 178.234 175.900 -0.007 0.000 1.129 232 Y CA 1.277 59.367 58.100 -0.017 0.000 1.201 232 Y CB -0.310 38.135 38.460 -0.025 0.000 0.999 232 Y HN 0.188 nan 8.280 nan 0.000 0.541 233 D N -1.019 119.451 120.400 0.117 0.000 2.144 233 D HA -0.128 4.514 4.640 0.003 0.000 0.200 233 D C 2.016 178.343 176.300 0.044 0.000 0.978 233 D CA 1.691 55.734 54.000 0.071 0.000 0.833 233 D CB -0.254 40.584 40.800 0.063 0.000 0.961 233 D HN 0.284 nan 8.370 nan 0.000 0.470 234 T N 1.143 115.730 114.554 0.055 0.000 2.777 234 T HA -0.108 4.244 4.350 0.003 0.000 0.266 234 T C 1.971 176.734 174.700 0.105 0.000 1.040 234 T CA 0.346 62.495 62.100 0.082 0.000 1.141 234 T CB -0.234 68.712 68.868 0.130 0.000 0.868 234 T HN 0.032 nan 8.240 nan 0.000 0.444 235 L N 1.667 122.876 121.223 -0.023 0.000 2.046 235 L HA -0.011 4.331 4.340 0.003 0.000 0.208 235 L C 2.411 179.223 176.870 -0.097 0.000 1.077 235 L CA 1.847 56.520 54.840 -0.279 0.000 0.747 235 L CB -0.504 41.120 42.059 -0.725 0.000 0.896 235 L HN 0.117 nan 8.230 nan 0.000 0.432 236 K N -0.487 119.888 120.400 -0.042 0.000 2.063 236 K HA -0.282 4.041 4.320 0.003 0.000 0.208 236 K C 2.143 178.751 176.600 0.014 0.000 1.048 236 K CA 1.999 58.291 56.287 0.008 0.000 0.928 236 K CB -0.307 32.213 32.500 0.032 0.000 0.713 236 K HN 0.546 nan 8.250 nan 0.000 0.442 237 E N -0.010 120.196 120.200 0.010 0.000 2.106 237 E HA -0.182 4.170 4.350 0.003 0.000 0.192 237 E C 1.853 178.433 176.600 -0.033 0.000 0.984 237 E CA 1.407 57.802 56.400 -0.009 0.000 0.806 237 E CB -0.019 29.675 29.700 -0.011 0.000 0.750 237 E HN 0.478 nan 8.360 nan 0.000 0.458 238 C N 0.331 119.632 119.300 0.001 0.000 2.457 238 C HA 0.058 4.520 4.460 0.003 0.000 0.278 238 C C 2.813 177.841 174.990 0.064 0.000 1.309 238 C CA 0.676 59.677 59.018 -0.029 0.000 1.735 238 C CB -0.891 26.877 27.740 0.047 0.000 1.992 238 C HN 0.586 nan 8.230 nan 0.000 0.493 239 A N 0.726 123.607 122.820 0.103 0.000 1.858 239 A HA -0.115 4.207 4.320 0.003 0.000 0.216 239 A C 2.122 179.738 177.584 0.053 0.000 1.190 239 A CA 1.464 53.570 52.037 0.115 0.000 0.617 239 A CB -0.712 18.348 19.000 0.099 0.000 0.827 239 A HN 0.584 nan 8.150 nan 0.000 0.443 240 L N -0.672 120.562 121.223 0.018 0.000 2.042 240 L HA -0.229 4.114 4.340 0.003 0.000 0.210 240 L C 2.533 179.367 176.870 -0.060 0.000 1.076 240 L CA 1.443 56.281 54.840 -0.004 0.000 0.749 240 L CB -0.563 41.494 42.059 -0.004 0.000 0.893 240 L HN 0.416 nan 8.230 nan 0.000 0.432 241 I N -1.167 119.317 120.570 -0.143 0.000 2.133 241 I HA -0.285 3.887 4.170 0.003 0.000 0.238 241 I C 2.775 178.781 176.117 -0.185 0.000 1.074 241 I CA 1.381 62.486 61.300 -0.326 0.000 1.342 241 I CB -0.327 37.357 38.000 -0.527 0.000 1.053 241 I HN 0.141 nan 8.210 nan 0.000 0.404 242 S N 0.487 116.161 115.700 -0.043 0.000 2.442 242 S HA -0.232 4.240 4.470 0.003 0.000 0.236 242 S C 2.061 176.699 174.600 0.063 0.000 1.007 242 S CA 1.445 59.702 58.200 0.094 0.000 0.965 242 S CB -0.291 63.102 63.200 0.321 0.000 0.773 242 S HN 0.306 nan 8.310 nan 0.000 0.504 243 K N 0.718 121.132 120.400 0.024 0.000 2.148 243 K HA -0.071 4.251 4.320 0.003 0.000 0.204 243 K C 1.303 177.903 176.600 -0.000 0.000 1.050 243 K CA 1.412 57.700 56.287 0.001 0.000 0.942 243 K CB -0.415 32.081 32.500 -0.006 0.000 0.724 243 K HN 0.607 nan 8.250 nan 0.000 0.446 244 T N -2.584 111.978 114.554 0.013 0.000 2.900 244 T HA 0.259 4.611 4.350 0.003 0.000 0.326 244 T C 1.026 175.771 174.700 0.076 0.000 1.145 244 T CA -0.113 62.014 62.100 0.045 0.000 0.963 244 T CB 0.840 69.757 68.868 0.082 0.000 1.512 244 T HN 0.075 nan 8.240 nan 0.000 0.552 245 A N -0.205 122.700 122.820 0.142 0.000 2.359 245 A HA 0.514 4.836 4.320 0.003 0.000 0.240 245 A C 1.121 178.850 177.584 0.243 0.000 1.306 245 A CA -0.117 52.041 52.037 0.201 0.000 0.898 245 A CB -1.222 17.955 19.000 0.296 0.000 0.956 245 A HN 1.060 nan 8.150 nan 0.000 0.497 246 G N -0.133 108.796 108.800 0.215 0.000 2.339 246 G HA2 0.475 4.437 3.960 0.003 0.000 0.287 246 G HA3 0.475 4.437 3.960 0.003 0.000 0.287 246 G C 0.325 175.381 174.900 0.260 0.000 1.163 246 G CA 0.219 45.511 45.100 0.320 0.000 0.872 246 G HN 0.507 nan 8.290 nan 0.000 0.464 247 G N 0.423 109.406 108.800 0.305 0.000 2.448 247 G HA2 0.574 4.536 3.960 0.003 0.000 0.285 247 G HA3 0.574 4.536 3.960 0.003 0.000 0.285 247 G C -0.476 174.556 174.900 0.219 0.000 1.176 247 G CA -0.606 44.637 45.100 0.237 0.000 0.852 247 G HN 0.650 nan 8.290 nan 0.000 0.530 248 I N 0.357 121.004 120.570 0.129 0.000 2.582 248 I HA 0.487 4.659 4.170 0.003 0.000 0.292 248 I C 0.244 176.386 176.117 0.042 0.000 1.066 248 I CA -0.894 60.407 61.300 0.003 0.000 1.053 248 I CB 2.674 40.462 38.000 -0.354 0.000 1.241 248 I HN 0.614 nan 8.210 nan 0.000 0.421 249 G N 5.813 114.635 108.800 0.036 0.000 2.487 249 G HA2 0.628 4.590 3.960 0.003 0.000 0.314 249 G HA3 0.628 4.590 3.960 0.003 0.000 0.314 249 G C -1.670 173.218 174.900 -0.020 0.000 1.267 249 G CA -0.337 44.828 45.100 0.109 0.000 0.937 249 G HN 0.340 nan 8.290 nan 0.000 0.481 250 L N 4.196 125.419 121.223 -0.001 0.000 2.343 250 L HA 0.482 4.824 4.340 0.003 0.000 0.278 250 L C -0.092 176.672 176.870 -0.177 0.000 0.996 250 L CA -1.135 53.587 54.840 -0.196 0.000 0.831 250 L CB 0.938 42.816 42.059 -0.302 0.000 1.232 250 L HN 0.728 nan 8.230 nan 0.000 0.413 251 H N 5.170 124.067 119.070 -0.289 0.000 2.467 251 H HA 0.486 5.044 4.556 0.004 0.000 0.331 251 H C 0.038 175.068 175.328 -0.497 0.000 1.120 251 H CA -0.705 55.059 56.048 -0.472 0.000 1.270 251 H CB 1.637 31.028 29.762 -0.619 0.000 1.466 251 H HN 0.805 nan 8.280 nan 0.000 0.504 252 I N -0.086 120.168 120.570 -0.527 0.000 3.817 252 I HA 0.111 4.283 4.170 0.003 0.000 0.322 252 I C 0.121 176.065 176.117 -0.287 0.000 1.512 252 I CA -0.718 60.359 61.300 -0.371 0.000 1.066 252 I CB -0.055 37.737 38.000 -0.346 0.000 1.336 252 I HN 0.444 nan 8.210 nan 0.000 0.539 253 H N 2.616 121.665 119.070 -0.036 0.000 2.541 253 H HA -0.031 4.527 4.556 0.004 0.000 0.289 253 H C 0.972 176.444 175.328 0.240 0.000 1.054 253 H CA 1.292 57.352 56.048 0.020 0.000 1.250 253 H CB -0.356 29.476 29.762 0.116 0.000 1.369 253 H HN 0.673 nan 8.280 nan 0.000 0.578 254 N N 0.648 119.501 118.700 0.256 0.000 2.230 254 N HA -0.004 4.738 4.740 0.003 0.000 0.202 254 N C 0.078 175.711 175.510 0.204 0.000 1.119 254 N CA -0.088 53.119 53.050 0.261 0.000 0.851 254 N CB 0.402 39.010 38.487 0.202 0.000 0.990 254 N HN 0.038 nan 8.380 nan 0.000 0.497 255 I N 2.942 123.621 120.570 0.181 0.000 2.325 255 I HA 0.144 4.316 4.170 0.003 0.000 0.291 255 I C 1.038 177.339 176.117 0.306 0.000 1.019 255 I CA -0.961 60.442 61.300 0.172 0.000 1.302 255 I CB 0.816 38.863 38.000 0.077 0.000 1.401 255 I HN 0.188 nan 8.210 nan 0.000 0.485 256 R N 4.862 125.493 120.500 0.218 0.000 2.756 256 R HA 0.253 4.595 4.340 0.003 0.000 0.264 256 R C 0.164 176.586 176.300 0.203 0.000 1.026 256 R CA -0.341 55.873 56.100 0.190 0.000 1.121 256 R CB 0.242 30.616 30.300 0.123 0.000 0.999 256 R HN 0.657 nan 8.270 nan 0.000 0.449 257 S N 1.148 116.923 115.700 0.124 0.000 2.713 257 S HA 0.194 4.666 4.470 0.003 0.000 0.277 257 S C -0.191 174.476 174.600 0.111 0.000 1.168 257 S CA -0.872 57.404 58.200 0.126 0.000 0.994 257 S CB 1.061 64.240 63.200 -0.034 0.000 1.054 257 S HN 0.646 nan 8.310 nan 0.000 0.555 258 T N 1.278 115.901 114.554 0.115 0.000 2.905 258 T HA 0.426 4.778 4.350 0.003 0.000 0.299 258 T C 1.469 176.212 174.700 0.072 0.000 1.024 258 T CA 0.996 63.151 62.100 0.091 0.000 1.151 258 T CB -0.354 68.569 68.868 0.091 0.000 0.987 258 T HN 1.628 nan 8.240 nan 0.000 0.535 259 G N 3.001 111.841 108.800 0.066 0.000 2.176 259 G HA2 -0.286 3.676 3.960 0.003 0.000 0.253 259 G HA3 -0.286 3.676 3.960 0.003 0.000 0.253 259 G C 0.429 175.374 174.900 0.074 0.000 0.979 259 G CA 0.088 45.226 45.100 0.062 0.000 0.641 259 G HN 0.812 nan 8.290 nan 0.000 0.530 260 S N -0.332 115.415 115.700 0.077 0.000 2.579 260 S HA 0.425 4.897 4.470 0.003 0.000 0.275 260 S C 0.106 174.775 174.600 0.115 0.000 1.345 260 S CA -0.265 57.992 58.200 0.096 0.000 1.031 260 S CB 0.807 64.059 63.200 0.087 0.000 0.892 260 S HN 0.620 nan 8.310 nan 0.000 0.529 261 Y N 2.109 122.423 120.300 0.025 0.000 2.411 261 Y HA 0.431 4.983 4.550 0.003 0.000 0.333 261 Y C -0.374 175.543 175.900 0.028 0.000 1.186 261 Y CA -0.076 58.037 58.100 0.022 0.000 1.381 261 Y CB 0.284 38.752 38.460 0.013 0.000 1.273 261 Y HN 0.458 nan 8.280 nan 0.000 0.546 262 I N 6.436 126.506 120.570 -0.833 0.000 2.439 262 I HA 0.391 4.563 4.170 0.003 0.000 0.283 262 I C -0.177 175.322 176.117 -1.031 0.000 1.023 262 I CA -1.020 59.865 61.300 -0.691 0.000 1.100 262 I CB 1.322 39.144 38.000 -0.297 0.000 1.238 262 I HN 0.834 nan 8.210 nan 0.000 0.445 263 A N 4.410 126.777 122.820 -0.756 0.000 2.565 263 A HA 0.396 4.718 4.320 0.003 0.000 0.237 263 A C 1.299 178.786 177.584 -0.161 0.000 1.053 263 A CA 0.813 52.672 52.037 -0.296 0.000 0.755 263 A CB -0.317 18.693 19.000 0.015 0.000 0.980 263 A HN 1.367 nan 8.150 nan 0.000 0.506 264 G N 1.745 110.525 108.800 -0.033 0.000 2.295 264 G HA2 0.069 4.031 3.960 0.003 0.000 0.287 264 G HA3 0.069 4.031 3.960 0.003 0.000 0.287 264 G C 0.357 175.231 174.900 -0.043 0.000 1.055 264 G CA 1.208 46.300 45.100 -0.013 0.000 0.922 264 G HN 2.688 nan 8.290 nan 0.000 0.503 265 T N -4.340 110.176 114.554 -0.064 0.000 2.671 265 T HA 0.657 5.009 4.350 0.003 0.000 0.300 265 T C 0.481 175.176 174.700 -0.008 0.000 1.238 265 T CA 0.156 62.228 62.100 -0.047 0.000 1.020 265 T CB 1.212 70.032 68.868 -0.080 0.000 1.503 265 T HN 0.408 nan 8.240 nan 0.000 0.497 266 N N -1.034 117.668 118.700 0.004 0.000 2.380 266 N HA 0.318 5.060 4.740 0.003 0.000 0.227 266 N C 0.894 176.425 175.510 0.035 0.000 1.139 266 N CA 0.085 53.157 53.050 0.037 0.000 0.843 266 N CB 0.166 38.672 38.487 0.032 0.000 1.327 266 N HN 0.913 nan 8.380 nan 0.000 0.470 267 G N 0.390 109.199 108.800 0.014 0.000 2.476 267 G HA2 0.414 4.377 3.960 0.003 0.000 0.286 267 G HA3 0.414 4.377 3.960 0.003 0.000 0.286 267 G C 0.530 175.437 174.900 0.011 0.000 1.177 267 G CA -0.015 45.095 45.100 0.017 0.000 0.870 267 G HN 0.249 nan 8.290 nan 0.000 0.528 268 T N -1.451 113.119 114.554 0.026 0.000 3.092 268 T HA 0.392 4.744 4.350 0.003 0.000 0.374 268 T C 0.822 175.531 174.700 0.015 0.000 1.190 268 T CA 0.204 62.323 62.100 0.031 0.000 1.021 268 T CB 0.529 69.425 68.868 0.048 0.000 1.556 268 T HN 0.612 nan 8.240 nan 0.000 0.540 269 S N -0.930 114.789 115.700 0.031 0.000 2.501 269 S HA 0.379 4.851 4.470 0.003 0.000 0.301 269 S C 0.286 174.919 174.600 0.055 0.000 1.096 269 S CA -0.904 57.319 58.200 0.038 0.000 1.063 269 S CB 0.555 63.782 63.200 0.046 0.000 1.042 269 S HN 0.672 nan 8.310 nan 0.000 0.494 270 N N 2.236 120.971 118.700 0.058 0.000 2.322 270 N HA 0.333 5.075 4.740 0.003 0.000 0.194 270 N C 0.753 176.312 175.510 0.083 0.000 1.126 270 N CA 0.287 53.376 53.050 0.064 0.000 0.845 270 N CB 0.406 38.925 38.487 0.054 0.000 0.976 270 N HN 0.878 nan 8.380 nan 0.000 0.475 271 G N 0.687 109.546 108.800 0.098 0.000 2.593 271 G HA2 -0.310 3.652 3.960 0.003 0.000 0.237 271 G HA3 -0.310 3.652 3.960 0.003 0.000 0.237 271 G C 0.520 175.497 174.900 0.128 0.000 1.312 271 G CA -0.388 44.791 45.100 0.132 0.000 0.896 271 G HN 0.123 nan 8.290 nan 0.000 0.574 272 L N 0.225 121.536 121.223 0.146 0.000 2.072 272 L HA 0.004 4.346 4.340 0.003 0.000 0.205 272 L C 3.132 180.057 176.870 0.092 0.000 1.079 272 L CA 0.928 55.827 54.840 0.098 0.000 0.752 272 L CB -0.489 41.601 42.059 0.052 0.000 0.906 272 L HN 0.549 nan 8.230 nan 0.000 0.436 273 I N 0.393 121.021 120.570 0.098 0.000 2.163 273 I HA -0.196 3.976 4.170 0.003 0.000 0.243 273 I C -0.035 176.119 176.117 0.061 0.000 1.085 273 I CA 1.898 63.241 61.300 0.073 0.000 1.347 273 I CB -2.497 35.542 38.000 0.066 0.000 1.044 273 I HN 0.182 nan 8.210 nan 0.000 0.408 274 P HA -0.162 nan 4.420 nan 0.000 0.216 274 P C 2.153 179.500 177.300 0.077 0.000 1.153 274 P CA 1.379 64.516 63.100 0.061 0.000 0.848 274 P CB -0.157 31.580 31.700 0.062 0.000 0.787 275 M N -1.234 118.424 119.600 0.097 0.000 2.213 275 M HA -0.135 4.347 4.480 0.003 0.000 0.263 275 M C 1.780 178.203 176.300 0.205 0.000 1.062 275 M CA 1.786 57.168 55.300 0.136 0.000 1.105 275 M CB -0.487 32.194 32.600 0.134 0.000 1.385 275 M HN -0.118 nan 8.290 nan 0.000 0.417 276 I N -0.679 119.973 120.570 0.137 0.000 2.439 276 I HA -0.256 3.916 4.170 0.003 0.000 0.251 276 I C 2.450 178.632 176.117 0.108 0.000 1.139 276 I CA 0.767 62.144 61.300 0.129 0.000 1.438 276 I CB -0.374 37.657 38.000 0.051 0.000 1.085 276 I HN 0.285 nan 8.210 nan 0.000 0.427 277 R N 0.284 120.821 120.500 0.061 0.000 2.105 277 R HA -0.141 4.201 4.340 0.003 0.000 0.239 277 R C 2.299 178.608 176.300 0.015 0.000 1.135 277 R CA 1.312 57.425 56.100 0.022 0.000 0.967 277 R CB -0.347 29.960 30.300 0.012 0.000 0.861 277 R HN 0.233 nan 8.270 nan 0.000 0.442 278 V N 0.352 120.283 119.914 0.029 0.000 2.287 278 V HA -0.258 3.864 4.120 0.003 0.000 0.248 278 V C 1.956 177.979 176.094 -0.119 0.000 1.053 278 V CA 1.851 64.113 62.300 -0.062 0.000 1.027 278 V CB -0.531 31.219 31.823 -0.121 0.000 0.646 278 V HN 0.186 nan 8.190 nan 0.000 0.447 279 F N 0.496 120.410 119.950 -0.060 0.000 2.186 279 F HA -0.115 4.414 4.527 0.004 0.000 0.299 279 F C 2.318 178.020 175.800 -0.165 0.000 1.090 279 F CA 1.874 59.851 58.000 -0.037 0.000 1.307 279 F CB -0.569 38.474 39.000 0.072 0.000 1.019 279 F HN 0.189 nan 8.300 nan 0.000 0.489 280 N N 0.319 119.030 118.700 0.018 0.000 2.104 280 N HA -0.247 4.495 4.740 0.003 0.000 0.190 280 N C 1.840 177.274 175.510 -0.127 0.000 1.024 280 N CA 1.464 54.452 53.050 -0.104 0.000 0.853 280 N CB -0.281 38.159 38.487 -0.077 0.000 1.008 280 N HN 0.087 nan 8.380 nan 0.000 0.424 281 N N -0.879 117.768 118.700 -0.087 0.000 2.216 281 N HA -0.071 4.671 4.740 0.003 0.000 0.183 281 N C 0.997 176.467 175.510 -0.066 0.000 1.017 281 N CA 1.205 54.210 53.050 -0.075 0.000 0.861 281 N CB -0.136 38.308 38.487 -0.071 0.000 0.986 281 N HN 0.257 nan 8.380 nan 0.000 0.428 282 T N 0.426 114.920 114.554 -0.100 0.000 2.951 282 T HA 0.081 4.433 4.350 0.003 0.000 0.268 282 T C 1.782 176.452 174.700 -0.049 0.000 1.073 282 T CA 0.889 62.963 62.100 -0.043 0.000 1.134 282 T CB -0.073 68.737 68.868 -0.095 0.000 0.884 282 T HN 0.350 nan 8.240 nan 0.000 0.479 283 A N 1.781 124.448 122.820 -0.255 0.000 1.897 283 A HA -0.036 4.286 4.320 0.003 0.000 0.215 283 A C 2.340 179.841 177.584 -0.139 0.000 1.181 283 A CA 1.067 52.881 52.037 -0.371 0.000 0.620 283 A CB -0.378 18.183 19.000 -0.733 0.000 0.821 283 A HN 0.377 nan 8.150 nan 0.000 0.443 284 R N -2.067 118.376 120.500 -0.094 0.000 2.096 284 R HA -0.165 4.177 4.340 0.003 0.000 0.235 284 R C 2.132 178.450 176.300 0.029 0.000 1.127 284 R CA 1.726 57.807 56.100 -0.031 0.000 0.968 284 R CB -0.515 29.771 30.300 -0.023 0.000 0.861 284 R HN 0.682 nan 8.270 nan 0.000 0.440 285 Y N 1.704 121.963 120.300 -0.068 0.000 2.242 285 Y HA -0.116 4.436 4.550 0.003 0.000 0.291 285 Y C 1.113 176.995 175.900 -0.031 0.000 1.137 285 Y CA 0.642 58.715 58.100 -0.046 0.000 1.181 285 Y CB -0.159 38.274 38.460 -0.045 0.000 0.989 285 Y HN -0.132 nan 8.280 nan 0.000 0.527 296 A N 0.886 123.924 122.820 0.362 0.000 2.433 296 A HA 0.726 5.048 4.320 0.003 0.000 0.250 296 A C -0.255 177.774 177.584 0.741 0.000 1.113 296 A CA 0.318 52.631 52.037 0.461 0.000 0.794 296 A CB 0.275 19.529 19.000 0.422 0.000 1.067 296 A HN 0.654 nan 8.150 nan 0.000 0.510 297 F N -0.798 119.299 119.950 0.244 0.000 2.495 297 F HA 0.570 5.099 4.527 0.003 0.000 0.327 297 F C 0.573 176.529 175.800 0.260 0.000 1.103 297 F CA -0.698 57.423 58.000 0.201 0.000 0.949 297 F CB 2.143 41.227 39.000 0.139 0.000 1.142 297 F HN 0.688 nan 8.300 nan 0.000 0.457 298 A N 4.657 127.697 122.820 0.368 0.000 2.330 298 A HA 0.821 5.143 4.320 0.003 0.000 0.327 298 A C -1.104 176.582 177.584 0.170 0.000 1.155 298 A CA -0.645 51.556 52.037 0.273 0.000 0.803 298 A CB 0.979 20.154 19.000 0.291 0.000 1.208 298 A HN 0.781 nan 8.150 nan 0.000 0.477 299 L N 2.114 123.369 121.223 0.054 0.000 2.322 299 L HA 0.448 4.790 4.340 0.003 0.000 0.281 299 L C -1.306 175.570 176.870 0.009 0.000 1.014 299 L CA -0.579 54.299 54.840 0.064 0.000 0.815 299 L CB 1.184 43.306 42.059 0.105 0.000 1.247 299 L HN 0.687 nan 8.230 nan 0.000 0.421 300 Y N 3.841 124.100 120.300 -0.068 0.000 2.330 300 Y HA 0.597 5.149 4.550 0.003 0.000 0.336 300 Y C -0.097 175.610 175.900 -0.321 0.000 1.036 300 Y CA -0.421 57.611 58.100 -0.112 0.000 1.125 300 Y CB 1.699 40.030 38.460 -0.214 0.000 1.194 300 Y HN 0.366 nan 8.280 nan 0.000 0.469 301 L N 3.665 124.786 121.223 -0.170 0.000 2.464 301 L HA 0.399 4.741 4.340 0.003 0.000 0.266 301 L C -0.899 175.889 176.870 -0.137 0.000 0.965 301 L CA -0.704 53.919 54.840 -0.361 0.000 0.833 301 L CB 2.103 43.397 42.059 -1.274 0.000 1.296 301 L HN 0.703 nan 8.230 nan 0.000 0.405 302 E N 4.759 124.888 120.200 -0.118 0.000 2.366 302 E HA 0.147 4.499 4.350 0.003 0.000 0.266 302 E C -1.837 174.437 176.600 -0.542 0.000 1.051 302 E CA -1.577 54.591 56.400 -0.386 0.000 0.884 302 E CB 0.871 30.205 29.700 -0.609 0.000 1.006 302 E HN 0.377 nan 8.360 nan 0.000 0.417 303 P HA -0.090 nan 4.420 nan 0.000 0.242 303 P C 0.348 177.834 177.300 0.310 0.000 1.197 303 P CA 0.630 63.570 63.100 -0.266 0.000 0.765 303 P CB -0.112 31.093 31.700 -0.826 0.000 0.936 304 W N -2.029 119.598 121.300 0.544 0.000 3.197 304 W HA 0.179 4.841 4.660 0.003 0.000 0.274 304 W C 0.223 176.922 176.519 0.299 0.000 1.297 304 W CA -0.393 57.224 57.345 0.453 0.000 1.662 304 W CB -1.263 28.491 29.460 0.490 0.000 1.106 304 W HN 0.007 nan 8.180 nan 0.000 0.663 305 H N 1.897 120.979 119.070 0.021 0.000 2.803 305 H HA 0.249 4.807 4.556 0.003 0.000 0.330 305 H C 1.252 176.679 175.328 0.164 0.000 1.057 305 H CA 0.989 57.087 56.048 0.083 0.000 1.458 305 H CB 1.983 31.585 29.762 -0.267 0.000 1.470 305 H HN 0.077 nan 8.280 nan 0.000 0.560 306 A N 4.322 127.075 122.820 -0.112 0.000 2.019 306 A HA -0.151 4.171 4.320 0.003 0.000 0.219 306 A C 1.480 179.177 177.584 0.188 0.000 1.164 306 A CA 1.441 53.502 52.037 0.041 0.000 0.644 306 A CB 0.013 18.993 19.000 -0.034 0.000 0.805 306 A HN 0.738 nan 8.150 nan 0.000 0.449 307 D N -0.654 119.956 120.400 0.350 0.000 2.325 307 D HA 0.065 4.707 4.640 0.003 0.000 0.234 307 D C 1.218 177.709 176.300 0.318 0.000 1.122 307 D CA -0.074 54.146 54.000 0.366 0.000 0.850 307 D CB 0.101 41.131 40.800 0.384 0.000 0.921 307 D HN 0.381 nan 8.370 nan 0.000 0.513 308 I N -0.161 120.571 120.570 0.270 0.000 2.335 308 I HA -0.236 3.936 4.170 0.003 0.000 0.251 308 I C 1.576 177.749 176.117 0.094 0.000 1.129 308 I CA 1.204 62.570 61.300 0.110 0.000 1.402 308 I CB -0.212 37.777 38.000 -0.018 0.000 1.069 308 I HN -0.111 nan 8.210 nan 0.000 0.424 309 F N 0.426 120.472 119.950 0.160 0.000 2.259 309 F HA -0.161 4.368 4.527 0.003 0.000 0.298 309 F C 2.263 178.129 175.800 0.110 0.000 1.088 309 F CA 1.393 59.471 58.000 0.131 0.000 1.358 309 F CB -0.347 38.726 39.000 0.121 0.000 1.040 309 F HN 0.118 nan 8.300 nan 0.000 0.505 310 D N -0.590 119.986 120.400 0.292 0.000 2.162 310 D HA -0.146 4.496 4.640 0.003 0.000 0.205 310 D C 2.035 178.403 176.300 0.114 0.000 0.964 310 D CA 0.735 54.842 54.000 0.177 0.000 0.847 310 D CB -0.791 40.102 40.800 0.156 0.000 0.988 310 D HN 0.192 nan 8.370 nan 0.000 0.480 311 F N 2.648 122.599 119.950 0.002 0.000 2.087 311 F HA -0.249 4.280 4.527 0.003 0.000 0.299 311 F C 2.126 177.859 175.800 -0.112 0.000 1.100 311 F CA 1.596 59.553 58.000 -0.072 0.000 1.226 311 F CB -0.377 38.560 39.000 -0.104 0.000 0.983 311 F HN -0.036 nan 8.300 nan 0.000 0.479 312 I N -2.339 118.205 120.570 -0.042 0.000 2.756 312 I HA -0.110 4.062 4.170 0.003 0.000 0.262 312 I C 0.732 176.702 176.117 -0.244 0.000 1.225 312 I CA 1.377 62.557 61.300 -0.200 0.000 1.472 312 I CB -0.678 37.275 38.000 -0.079 0.000 1.094 312 I HN 0.026 nan 8.210 nan 0.000 0.454 313 D N 0.885 121.183 120.400 -0.170 0.000 2.369 313 D HA 0.142 4.784 4.640 0.003 0.000 0.211 313 D C 2.134 178.314 176.300 -0.199 0.000 1.077 313 D CA -0.012 53.904 54.000 -0.139 0.000 0.842 313 D CB 0.365 41.151 40.800 -0.023 0.000 0.947 313 D HN 0.189 nan 8.370 nan 0.000 0.509 314 I N 1.058 121.459 120.570 -0.281 0.000 2.191 314 I HA -0.318 3.854 4.170 0.003 0.000 0.248 314 I C 1.850 177.802 176.117 -0.275 0.000 1.061 314 I CA 1.634 62.758 61.300 -0.293 0.000 1.329 314 I CB -0.457 37.289 38.000 -0.423 0.000 1.024 314 I HN 0.082 nan 8.210 nan 0.000 0.423 315 R N -0.242 120.077 120.500 -0.300 0.000 2.334 315 R HA 0.054 4.396 4.340 0.003 0.000 0.216 315 R C 0.692 176.845 176.300 -0.245 0.000 0.905 315 R CA -0.292 55.639 56.100 -0.282 0.000 1.064 315 R CB 0.125 30.240 30.300 -0.309 0.000 1.046 315 R HN 0.129 nan 8.270 nan 0.000 0.508 316 K N 2.425 122.664 120.400 -0.268 0.000 2.491 316 K HA -0.083 4.239 4.320 0.003 0.000 0.279 316 K C 1.184 177.565 176.600 -0.365 0.000 1.026 316 K CA 0.171 56.228 56.287 -0.383 0.000 1.070 316 K CB 0.340 32.545 32.500 -0.491 0.000 0.887 316 K HN 0.253 nan 8.250 nan 0.000 0.481 317 N N 2.662 121.163 118.700 -0.332 0.000 2.446 317 N HA -0.141 4.601 4.740 0.003 0.000 0.179 317 N C 0.155 175.594 175.510 -0.118 0.000 1.054 317 N CA 0.389 53.328 53.050 -0.184 0.000 0.905 317 N CB 0.003 38.425 38.487 -0.108 0.000 0.973 317 N HN 0.679 nan 8.380 nan 0.000 0.448 318 H N -0.139 118.915 119.070 -0.027 0.000 2.820 318 H HA 0.469 5.027 4.556 0.003 0.000 0.291 318 H C 0.824 176.140 175.328 -0.019 0.000 1.412 318 H CA -0.727 55.310 56.048 -0.018 0.000 1.176 318 H CB -0.757 28.999 29.762 -0.010 0.000 1.467 318 H HN 0.134 nan 8.280 nan 0.000 0.517 319 G N 0.609 109.413 108.800 0.006 0.000 2.559 319 G HA2 -0.010 3.952 3.960 0.003 0.000 0.235 319 G HA3 -0.010 3.952 3.960 0.003 0.000 0.235 319 G C 0.208 175.146 174.900 0.062 0.000 1.266 319 G CA -0.727 44.376 45.100 0.006 0.000 0.847 319 G HN 0.466 nan 8.290 nan 0.000 0.583 320 K N 0.490 120.924 120.400 0.055 0.000 2.504 320 K HA 0.132 4.454 4.320 0.003 0.000 0.199 320 K C 1.194 177.805 176.600 0.018 0.000 1.028 320 K CA 0.399 56.711 56.287 0.043 0.000 1.164 320 K CB 0.248 32.776 32.500 0.046 0.000 0.877 320 K HN 0.668 nan 8.250 nan 0.000 0.508 321 E N 0.308 120.511 120.200 0.004 0.000 3.819 321 E HA -0.310 4.042 4.350 0.003 0.000 0.185 321 E C 0.485 177.077 176.600 -0.013 0.000 1.099 321 E CA 2.092 58.488 56.400 -0.007 0.000 2.416 321 E CB -1.180 28.519 29.700 -0.001 0.000 1.717 321 E HN 0.495 nan 8.360 nan 0.000 0.459 322 E N 1.193 121.391 120.200 -0.004 0.000 2.476 322 E HA 0.130 4.482 4.350 0.003 0.000 0.191 322 E C 1.758 178.358 176.600 -0.000 0.000 1.064 322 E CA 0.569 56.967 56.400 -0.004 0.000 0.866 322 E CB 0.073 29.774 29.700 0.003 0.000 0.952 322 E HN 0.265 nan 8.360 nan 0.000 0.492 323 I N 0.738 121.307 120.570 -0.001 0.000 4.082 323 I HA 0.142 4.314 4.170 0.003 0.000 0.337 323 I C 0.430 176.534 176.117 -0.022 0.000 1.352 323 I CA -0.353 60.949 61.300 0.004 0.000 1.097 323 I CB 0.089 38.102 38.000 0.022 0.000 1.048 323 I HN -0.029 nan 8.210 nan 0.000 0.393 324 R N 0.785 121.259 120.500 -0.044 0.000 2.751 324 R HA 0.847 5.189 4.340 0.003 0.000 0.217 324 R C -0.291 175.950 176.300 -0.098 0.000 1.436 324 R CA -0.266 55.783 56.100 -0.085 0.000 1.006 324 R CB 0.019 30.262 30.300 -0.095 0.000 2.065 324 R HN -0.085 nan 8.270 nan 0.000 0.525 325 A N 0.752 123.491 122.820 -0.136 0.000 1.884 325 A HA 0.139 4.461 4.320 0.003 0.000 0.243 325 A C 0.296 177.757 177.584 -0.205 0.000 1.556 325 A CA -0.491 51.459 52.037 -0.146 0.000 1.608 325 A CB 0.049 18.966 19.000 -0.138 0.000 0.932 325 A HN 0.552 nan 8.150 nan 0.000 0.813 326 R N 0.287 120.676 120.500 -0.185 0.000 2.357 326 R HA -0.055 4.288 4.340 0.003 0.000 0.202 326 R C 0.299 176.436 176.300 -0.271 0.000 1.047 326 R CA 1.124 57.094 56.100 -0.218 0.000 1.034 326 R CB 0.237 30.444 30.300 -0.155 0.000 0.875 326 R HN 0.685 nan 8.270 nan 0.000 0.473 327 D N -0.454 119.791 120.400 -0.259 0.000 2.433 327 D HA 0.079 4.721 4.640 0.003 0.000 0.211 327 D C -0.364 175.756 176.300 -0.300 0.000 1.114 327 D CA 0.100 53.949 54.000 -0.251 0.000 0.837 327 D CB 0.630 41.336 40.800 -0.156 0.000 0.984 327 D HN -0.076 nan 8.370 nan 0.000 0.505 328 L N 0.264 121.262 121.223 -0.375 0.000 2.303 328 L HA 0.505 4.847 4.340 0.003 0.000 0.266 328 L C -0.426 176.113 176.870 -0.552 0.000 1.011 328 L CA -0.769 53.908 54.840 -0.270 0.000 0.818 328 L CB 0.981 42.968 42.059 -0.120 0.000 1.326 328 L HN -0.189 nan 8.230 nan 0.000 0.435 329 F N 1.617 121.480 119.950 -0.145 0.000 2.467 329 F HA 0.474 5.003 4.527 0.003 0.000 0.336 329 F C -2.017 173.495 175.800 -0.479 0.000 1.123 329 F CA -2.042 55.756 58.000 -0.336 0.000 0.964 329 F CB 1.522 40.361 39.000 -0.268 0.000 1.136 329 F HN 0.217 nan 8.300 nan 0.000 0.447 330 P HA 0.313 nan 4.420 nan 0.000 0.276 330 P C -1.094 175.885 177.300 -0.534 0.000 1.243 330 P CA -0.125 62.571 63.100 -0.672 0.000 0.768 330 P CB 1.041 32.186 31.700 -0.926 0.000 0.856 331 A N 4.415 127.042 122.820 -0.321 0.000 2.355 331 A HA 0.650 4.972 4.320 0.003 0.000 0.317 331 A C -0.793 176.709 177.584 -0.136 0.000 1.094 331 A CA -0.837 50.974 52.037 -0.377 0.000 0.764 331 A CB 0.883 19.345 19.000 -0.897 0.000 1.230 331 A HN 0.458 nan 8.150 nan 0.000 0.448 332 L N 1.994 123.201 121.223 -0.027 0.000 2.289 332 L HA 0.307 4.650 4.340 0.003 0.000 0.285 332 L C -0.420 176.566 176.870 0.194 0.000 1.049 332 L CA -0.254 54.595 54.840 0.016 0.000 0.804 332 L CB 1.266 43.257 42.059 -0.114 0.000 1.195 332 L HN 0.823 nan 8.230 nan 0.000 0.428 333 W N 6.754 128.026 121.300 -0.047 0.000 2.296 333 W HA 0.434 5.096 4.660 0.004 0.000 0.333 333 W C -1.004 175.440 176.519 -0.125 0.000 0.931 333 W CA -0.682 56.658 57.345 -0.008 0.000 1.538 333 W CB 0.800 30.308 29.460 0.079 0.000 1.417 333 W HN 0.387 nan 8.180 nan 0.000 0.380 334 I N 7.685 128.097 120.570 -0.264 0.000 2.315 334 I HA 0.217 4.389 4.170 0.003 0.000 0.291 334 I C -1.875 174.105 176.117 -0.229 0.000 1.006 334 I CA -2.129 59.036 61.300 -0.225 0.000 1.265 334 I CB 1.110 39.022 38.000 -0.147 0.000 1.387 334 I HN 0.074 nan 8.210 nan 0.000 0.475 335 P HA 0.164 nan 4.420 nan 0.000 0.276 335 P C -0.175 177.095 177.300 -0.050 0.000 1.244 335 P CA -0.299 62.667 63.100 -0.224 0.000 0.801 335 P CB 0.985 32.436 31.700 -0.416 0.000 1.006 336 D N 0.460 120.890 120.400 0.049 0.000 2.117 336 D HA -0.127 4.515 4.640 0.003 0.000 0.197 336 D C 1.787 178.138 176.300 0.085 0.000 0.987 336 D CA 0.963 55.075 54.000 0.186 0.000 0.829 336 D CB -0.474 40.550 40.800 0.373 0.000 0.961 336 D HN 0.255 nan 8.370 nan 0.000 0.460 337 L N 0.082 121.418 121.223 0.188 0.000 2.081 337 L HA -0.222 4.120 4.340 0.003 0.000 0.212 337 L C 2.191 179.142 176.870 0.135 0.000 1.080 337 L CA 1.323 56.308 54.840 0.243 0.000 0.754 337 L CB -0.369 41.940 42.059 0.416 0.000 0.893 337 L HN 0.004 nan 8.230 nan 0.000 0.433 338 F N 0.321 120.161 119.950 -0.183 0.000 2.084 338 F HA -0.269 4.261 4.527 0.005 0.000 0.296 338 F C 2.497 177.984 175.800 -0.521 0.000 1.111 338 F CA 1.516 59.103 58.000 -0.688 0.000 1.224 338 F CB -0.245 38.150 39.000 -1.008 0.000 0.991 338 F HN -0.002 nan 8.300 nan 0.000 0.471 339 M N 0.814 119.993 119.600 -0.703 0.000 2.106 339 M HA -0.244 4.238 4.480 0.003 0.000 0.259 339 M C 2.041 177.969 176.300 -0.621 0.000 1.068 339 M CA 1.736 56.415 55.300 -1.035 0.000 1.100 339 M CB -1.356 30.021 32.600 -2.038 0.000 1.351 339 M HN 0.197 nan 8.290 nan 0.000 0.404 340 K N -0.747 119.445 120.400 -0.346 0.000 2.026 340 K HA -0.133 4.189 4.320 0.003 0.000 0.208 340 K C 2.150 178.688 176.600 -0.103 0.000 1.048 340 K CA 0.931 57.188 56.287 -0.050 0.000 0.929 340 K CB -0.175 32.380 32.500 0.093 0.000 0.713 340 K HN 0.206 nan 8.250 nan 0.000 0.439 341 R N 0.831 121.246 120.500 -0.142 0.000 2.073 341 R HA -0.093 4.250 4.340 0.003 0.000 0.234 341 R C 2.412 178.589 176.300 -0.205 0.000 1.134 341 R CA 1.001 57.055 56.100 -0.076 0.000 0.952 341 R CB -1.138 29.216 30.300 0.090 0.000 0.850 341 R HN 0.074 nan 8.270 nan 0.000 0.433 342 V N 1.401 121.029 119.914 -0.476 0.000 2.231 342 V HA -0.285 3.837 4.120 0.003 0.000 0.248 342 V C 2.485 178.360 176.094 -0.366 0.000 1.054 342 V CA 2.205 64.207 62.300 -0.498 0.000 1.015 342 V CB -0.578 30.756 31.823 -0.815 0.000 0.638 342 V HN 0.416 nan 8.190 nan 0.000 0.444 343 E N 0.411 120.412 120.200 -0.332 0.000 2.070 343 E HA -0.270 4.082 4.350 0.003 0.000 0.197 343 E C 1.969 178.440 176.600 -0.216 0.000 1.004 343 E CA 1.686 57.879 56.400 -0.345 0.000 0.805 343 E CB -0.133 29.464 29.700 -0.172 0.000 0.744 343 E HN 0.866 nan 8.360 nan 0.000 0.451 344 E N 0.353 120.478 120.200 -0.124 0.000 2.359 344 E HA -0.077 4.275 4.350 0.003 0.000 0.187 344 E C 0.085 176.654 176.600 -0.052 0.000 1.081 344 E CA 0.030 56.390 56.400 -0.067 0.000 0.929 344 E CB -0.255 29.433 29.700 -0.020 0.000 1.086 344 E HN 0.110 nan 8.360 nan 0.000 0.462 345 N N 0.733 119.385 118.700 -0.081 0.000 2.714 345 N HA -0.141 4.601 4.740 0.003 0.000 0.252 345 N C -0.258 175.258 175.510 0.010 0.000 1.014 345 N CA 1.014 54.041 53.050 -0.039 0.000 0.735 345 N CB -1.149 37.322 38.487 -0.026 0.000 0.924 345 N HN 0.553 nan 8.380 nan 0.000 0.540 346 G N -1.085 107.729 108.800 0.024 0.000 2.702 346 G HA2 0.616 4.578 3.960 0.003 0.000 0.254 346 G HA3 0.616 4.578 3.960 0.003 0.000 0.254 346 G C 0.023 175.006 174.900 0.139 0.000 1.380 346 G CA 0.211 45.358 45.100 0.077 0.000 1.042 346 G HN 0.456 nan 8.290 nan 0.000 0.557 347 T N -2.721 111.943 114.554 0.183 0.000 2.874 347 T HA 0.502 4.854 4.350 0.003 0.000 0.281 347 T C -0.795 174.164 174.700 0.432 0.000 0.994 347 T CA -0.617 61.631 62.100 0.247 0.000 1.015 347 T CB 1.749 70.725 68.868 0.180 0.000 1.028 347 T HN 0.598 nan 8.240 nan 0.000 0.523 348 W N 1.356 122.781 121.300 0.207 0.000 3.132 348 W HA 0.350 5.011 4.660 0.002 0.000 0.337 348 W C -1.581 175.087 176.519 0.249 0.000 1.082 348 W CA -0.714 56.815 57.345 0.308 0.000 1.242 348 W CB 2.109 31.804 29.460 0.391 0.000 1.354 348 W HN 0.761 nan 8.180 nan 0.000 0.461 349 T N 6.193 120.529 114.554 -0.365 0.000 2.837 349 T HA 0.491 4.843 4.350 0.003 0.000 0.285 349 T C 0.156 174.381 174.700 -0.792 0.000 0.984 349 T CA -0.377 61.391 62.100 -0.553 0.000 1.049 349 T CB 1.343 69.790 68.868 -0.702 0.000 0.947 349 T HN 0.246 nan 8.240 nan 0.000 0.472 350 L N 3.383 124.268 121.223 -0.563 0.000 2.325 350 L HA 0.639 4.981 4.340 0.003 0.000 0.279 350 L C -0.785 175.739 176.870 -0.576 0.000 1.054 350 L CA -0.740 53.906 54.840 -0.323 0.000 0.804 350 L CB 0.701 42.758 42.059 -0.004 0.000 1.200 350 L HN 0.575 nan 8.230 nan 0.000 0.436 351 F N -0.172 119.851 119.950 0.123 0.000 2.577 351 F HA 0.386 4.915 4.527 0.003 0.000 0.318 351 F C 0.447 176.268 175.800 0.036 0.000 1.065 351 F CA -0.748 57.259 58.000 0.012 0.000 0.929 351 F CB 2.162 41.082 39.000 -0.133 0.000 1.237 351 F HN 0.332 nan 8.300 nan 0.000 0.468 352 S N 1.947 117.746 115.700 0.164 0.000 2.562 352 S HA 0.298 4.770 4.470 0.003 0.000 0.275 352 S C -1.722 172.968 174.600 0.150 0.000 1.281 352 S CA -1.541 56.704 58.200 0.075 0.000 1.045 352 S CB 1.166 64.393 63.200 0.046 0.000 0.962 352 S HN 0.328 nan 8.310 nan 0.000 0.503 353 P HA -0.133 nan 4.420 nan 0.000 0.216 353 P C 1.576 178.916 177.300 0.068 0.000 1.153 353 P CA 1.801 65.038 63.100 0.229 0.000 0.858 353 P CB -0.453 31.445 31.700 0.331 0.000 0.789 354 T N -3.434 111.161 114.554 0.069 0.000 2.759 354 T HA -0.099 4.253 4.350 0.003 0.000 0.269 354 T C 1.833 176.503 174.700 -0.050 0.000 1.042 354 T CA 1.731 63.848 62.100 0.028 0.000 1.140 354 T CB -1.260 67.644 68.868 0.060 0.000 0.864 354 T HN 0.023 nan 8.240 nan 0.000 0.455 355 S N 1.316 116.969 115.700 -0.077 0.000 2.496 355 S HA 0.540 5.012 4.470 0.003 0.000 0.224 355 S C 1.122 175.459 174.600 -0.438 0.000 0.996 355 S CA 0.228 58.327 58.200 -0.168 0.000 0.927 355 S CB 0.099 63.257 63.200 -0.072 0.000 0.774 355 S HN 0.812 nan 8.310 nan 0.000 0.524 356 A N 2.468 124.986 122.820 -0.503 0.000 3.266 356 A HA 0.467 4.789 4.320 0.003 0.000 0.310 356 A C -3.024 174.282 177.584 -0.464 0.000 1.066 356 A CA -1.292 50.145 52.037 -0.999 0.000 0.839 356 A CB 0.450 18.638 19.000 -1.353 0.000 1.192 356 A HN 0.074 nan 8.150 nan 0.000 0.496 357 P HA 0.311 nan 4.420 nan 0.000 0.268 357 P C 1.045 178.394 177.300 0.081 0.000 1.205 357 P CA 1.772 64.860 63.100 -0.020 0.000 0.771 357 P CB 1.146 32.844 31.700 -0.002 0.000 0.858 358 G N 1.321 110.180 108.800 0.098 0.000 2.195 358 G HA2 -0.284 3.678 3.960 0.003 0.000 0.246 358 G HA3 -0.284 3.678 3.960 0.003 0.000 0.246 358 G C 0.788 175.768 174.900 0.134 0.000 0.984 358 G CA 0.110 45.278 45.100 0.114 0.000 0.633 358 G HN 0.428 nan 8.290 nan 0.000 0.525 359 L N 2.046 123.322 121.223 0.089 0.000 2.089 359 L HA -0.034 4.308 4.340 0.003 0.000 0.213 359 L C 2.904 180.038 176.870 0.439 0.000 1.079 359 L CA 3.079 58.000 54.840 0.134 0.000 0.758 359 L CB -0.830 40.989 42.059 -0.399 0.000 0.891 359 L HN 0.878 nan 8.230 nan 0.000 0.433 360 S N -3.303 112.654 115.700 0.428 0.000 2.556 360 S HA 0.044 4.516 4.470 0.003 0.000 0.216 360 S C 1.081 175.854 174.600 0.289 0.000 0.970 360 S CA 0.067 58.496 58.200 0.382 0.000 0.912 360 S CB -0.025 63.390 63.200 0.358 0.000 0.790 360 S HN 0.332 nan 8.310 nan 0.000 0.504 361 D N 1.510 122.069 120.400 0.265 0.000 2.525 361 D HA 0.307 4.949 4.640 0.003 0.000 0.229 361 D C -0.049 176.386 176.300 0.225 0.000 1.202 361 D CA -0.220 53.917 54.000 0.228 0.000 0.828 361 D CB 0.431 41.343 40.800 0.187 0.000 1.008 361 D HN 0.621 nan 8.370 nan 0.000 0.493 362 C N -1.229 118.237 119.300 0.276 0.000 3.306 362 C HA 0.866 5.329 4.460 0.003 0.000 0.335 362 C C -1.189 174.010 174.990 0.347 0.000 1.382 362 C CA -1.282 57.889 59.018 0.255 0.000 1.254 362 C CB 0.391 28.218 27.740 0.146 0.000 1.555 362 C HN 0.225 nan 8.230 nan 0.000 0.463 363 Y N -0.530 119.846 120.300 0.126 0.000 2.744 363 Y HA 0.859 5.411 4.550 0.003 0.000 0.330 363 Y C 0.741 176.698 175.900 0.095 0.000 1.263 363 Y CA -0.063 58.068 58.100 0.052 0.000 1.065 363 Y CB 0.336 38.770 38.460 -0.043 0.000 1.306 363 Y HN 2.357 nan 8.280 nan 0.000 0.459 364 G N 1.100 109.992 108.800 0.154 0.000 2.672 364 G HA2 -0.385 3.577 3.960 0.003 0.000 0.324 364 G HA3 -0.385 3.577 3.960 0.003 0.000 0.324 364 G C 0.413 175.367 174.900 0.090 0.000 1.286 364 G CA 1.125 46.275 45.100 0.084 0.000 1.004 364 G HN 0.829 nan 8.290 nan 0.000 0.548 365 D N 0.388 120.782 120.400 -0.011 0.000 2.117 365 D HA -0.047 4.595 4.640 0.003 0.000 0.197 365 D C 2.175 178.468 176.300 -0.013 0.000 0.987 365 D CA 1.549 55.548 54.000 -0.002 0.000 0.829 365 D CB -0.361 40.414 40.800 -0.041 0.000 0.961 365 D HN 0.674 nan 8.370 nan 0.000 0.460 366 E N -0.351 119.811 120.200 -0.064 0.000 2.077 366 E HA -0.189 4.163 4.350 0.003 0.000 0.193 366 E C 2.008 178.604 176.600 -0.006 0.000 0.989 366 E CA 0.624 56.986 56.400 -0.064 0.000 0.800 366 E CB -0.188 29.447 29.700 -0.108 0.000 0.746 366 E HN 0.255 nan 8.360 nan 0.000 0.452 367 F N 1.416 121.324 119.950 -0.069 0.000 2.113 367 F HA -0.113 4.416 4.527 0.003 0.000 0.297 367 F C 1.961 177.770 175.800 0.016 0.000 1.103 367 F CA 1.724 59.719 58.000 -0.009 0.000 1.248 367 F CB -0.005 39.033 39.000 0.064 0.000 0.999 367 F HN -0.026 nan 8.300 nan 0.000 0.475 368 E N 0.265 120.495 120.200 0.050 0.000 2.152 368 E HA -0.103 4.249 4.350 0.003 0.000 0.192 368 E C 2.297 178.842 176.600 -0.092 0.000 0.983 368 E CA 0.861 57.243 56.400 -0.031 0.000 0.818 368 E CB -0.296 29.495 29.700 0.151 0.000 0.758 368 E HN 0.526 nan 8.360 nan 0.000 0.467 369 A N 0.875 123.636 122.820 -0.099 0.000 1.855 369 A HA -0.166 4.156 4.320 0.003 0.000 0.215 369 A C 2.115 179.554 177.584 -0.242 0.000 1.191 369 A CA 1.050 53.008 52.037 -0.130 0.000 0.613 369 A CB -0.583 18.352 19.000 -0.108 0.000 0.829 369 A HN 0.251 nan 8.150 nan 0.000 0.442 370 L N -1.723 119.300 121.223 -0.334 0.000 2.017 370 L HA -0.129 4.213 4.340 0.003 0.000 0.208 370 L C 2.289 178.706 176.870 -0.754 0.000 1.073 370 L CA 2.281 56.781 54.840 -0.566 0.000 0.745 370 L CB -0.994 40.745 42.059 -0.532 0.000 0.894 370 L HN 0.516 nan 8.230 nan 0.000 0.432 371 Y N 0.217 120.039 120.300 -0.797 0.000 2.053 371 Y HA -0.341 4.210 4.550 0.002 0.000 0.277 371 Y C 2.517 178.192 175.900 -0.375 0.000 1.159 371 Y CA 2.684 60.359 58.100 -0.707 0.000 1.125 371 Y CB -0.774 37.164 38.460 -0.870 0.000 0.969 371 Y HN 0.230 nan 8.280 nan 0.000 0.492 372 T N 0.566 115.042 114.554 -0.130 0.000 2.720 372 T HA -0.261 4.091 4.350 0.003 0.000 0.268 372 T C 1.931 176.545 174.700 -0.143 0.000 1.037 372 T CA 1.773 63.834 62.100 -0.066 0.000 1.144 372 T CB -0.388 68.474 68.868 -0.010 0.000 0.864 372 T HN 0.350 nan 8.240 nan 0.000 0.444 373 R N -0.058 120.311 120.500 -0.219 0.000 2.083 373 R HA -0.118 4.224 4.340 0.003 0.000 0.237 373 R C 2.204 178.435 176.300 -0.115 0.000 1.137 373 R CA 1.644 57.631 56.100 -0.188 0.000 0.951 373 R CB -0.490 29.654 30.300 -0.261 0.000 0.851 373 R HN 0.561 nan 8.270 nan 0.000 0.434 374 Y N 0.388 120.493 120.300 -0.325 0.000 2.224 374 Y HA -0.202 4.350 4.550 0.003 0.000 0.289 374 Y C 2.442 178.248 175.900 -0.156 0.000 1.146 374 Y CA 0.851 58.713 58.100 -0.396 0.000 1.182 374 Y CB 0.015 37.919 38.460 -0.927 0.000 0.983 374 Y HN 0.311 nan 8.280 nan 0.000 0.524 375 E N 0.616 120.815 120.200 -0.002 0.000 2.023 375 E HA -0.246 4.106 4.350 0.003 0.000 0.196 375 E C 2.040 178.645 176.600 0.009 0.000 1.003 375 E CA 1.365 57.767 56.400 0.005 0.000 0.809 375 E CB -0.126 29.529 29.700 -0.075 0.000 0.755 375 E HN 0.243 nan 8.360 nan 0.000 0.449 376 K N 1.105 121.499 120.400 -0.010 0.000 2.044 376 K HA -0.176 4.146 4.320 0.003 0.000 0.210 376 K C 1.664 178.265 176.600 0.002 0.000 1.049 376 K CA 1.436 57.720 56.287 -0.006 0.000 0.927 376 K CB -0.061 32.429 32.500 -0.017 0.000 0.713 376 K HN 0.093 nan 8.250 nan 0.000 0.443 377 E N -0.748 119.457 120.200 0.010 0.000 2.526 377 E HA 0.030 4.382 4.350 0.003 0.000 0.198 377 E C 0.536 177.140 176.600 0.006 0.000 1.091 377 E CA 0.355 56.759 56.400 0.007 0.000 0.880 377 E CB -0.029 29.680 29.700 0.014 0.000 0.873 377 E HN 0.493 nan 8.360 nan 0.000 0.527 378 G N 1.883 110.694 108.800 0.019 0.000 2.203 378 G HA2 -0.381 3.581 3.960 0.003 0.000 0.263 378 G HA3 -0.381 3.581 3.960 0.003 0.000 0.263 378 G C 0.828 175.745 174.900 0.028 0.000 1.012 378 G CA 0.528 45.636 45.100 0.013 0.000 0.749 378 G HN 0.322 nan 8.290 nan 0.000 0.512 379 R N -0.143 120.406 120.500 0.081 0.000 2.280 379 R HA 0.202 4.545 4.340 0.003 0.000 0.207 379 R C 1.730 178.155 176.300 0.208 0.000 1.043 379 R CA 0.915 57.062 56.100 0.077 0.000 1.006 379 R CB 0.171 30.397 30.300 -0.124 0.000 0.885 379 R HN 0.491 nan 8.270 nan 0.000 0.467 380 G N 0.403 109.286 108.800 0.138 0.000 3.262 380 G HA2 0.310 4.272 3.960 0.003 0.000 0.229 380 G HA3 0.310 4.272 3.960 0.003 0.000 0.229 380 G C -1.361 173.397 174.900 -0.238 0.000 1.280 380 G CA -0.548 44.404 45.100 -0.246 0.000 0.951 380 G HN -0.051 nan 8.290 nan 0.000 0.589 381 K N 0.780 120.995 120.400 -0.309 0.000 2.521 381 K HA 0.446 4.768 4.320 0.003 0.000 0.248 381 K C -0.645 175.864 176.600 -0.151 0.000 0.978 381 K CA -0.324 55.868 56.287 -0.159 0.000 0.947 381 K CB 0.839 33.293 32.500 -0.076 0.000 1.165 381 K HN 0.386 nan 8.250 nan 0.000 0.445 382 T N 5.097 119.588 114.554 -0.106 0.000 2.918 382 T HA 0.296 4.648 4.350 0.003 0.000 0.302 382 T C 0.509 175.241 174.700 0.055 0.000 1.045 382 T CA -0.244 61.832 62.100 -0.040 0.000 1.114 382 T CB 0.286 69.145 68.868 -0.015 0.000 0.965 382 T HN 0.667 nan 8.240 nan 0.000 0.540 383 I N -1.528 119.129 120.570 0.146 0.000 3.466 383 I HA 0.644 4.816 4.170 0.003 0.000 0.311 383 I C -0.791 175.468 176.117 0.236 0.000 1.155 383 I CA -1.572 59.848 61.300 0.200 0.000 0.959 383 I CB 1.652 39.828 38.000 0.292 0.000 1.332 383 I HN 0.079 nan 8.210 nan 0.000 0.483 384 K N 1.845 122.378 120.400 0.221 0.000 2.349 384 K HA 0.334 4.656 4.320 0.003 0.000 0.289 384 K C 0.799 177.576 176.600 0.294 0.000 1.064 384 K CA 0.372 56.787 56.287 0.213 0.000 0.947 384 K CB 1.566 34.159 32.500 0.156 0.000 1.007 384 K HN 0.820 nan 8.250 nan 0.000 0.478 385 A N 4.237 127.232 122.820 0.291 0.000 1.948 385 A HA -0.234 4.088 4.320 0.003 0.000 0.220 385 A C 1.792 179.519 177.584 0.238 0.000 1.177 385 A CA 1.548 53.757 52.037 0.287 0.000 0.636 385 A CB -0.206 18.850 19.000 0.093 0.000 0.815 385 A HN 0.822 nan 8.150 nan 0.000 0.449 386 Q N -0.979 118.936 119.800 0.191 0.000 2.369 386 Q HA -0.110 4.232 4.340 0.003 0.000 0.206 386 Q C 2.010 178.232 176.000 0.369 0.000 0.963 386 Q CA 1.146 57.104 55.803 0.258 0.000 0.894 386 Q CB -0.094 28.742 28.738 0.163 0.000 0.965 386 Q HN 0.740 nan 8.270 nan 0.000 0.475 387 K N 1.038 121.642 120.400 0.340 0.000 2.026 387 K HA -0.140 4.182 4.320 0.003 0.000 0.208 387 K C 1.988 178.907 176.600 0.533 0.000 1.048 387 K CA 0.801 57.319 56.287 0.384 0.000 0.929 387 K CB -0.065 32.642 32.500 0.345 0.000 0.713 387 K HN 0.207 nan 8.250 nan 0.000 0.439 388 L N 0.530 122.059 121.223 0.510 0.000 1.976 388 L HA -0.241 4.101 4.340 0.003 0.000 0.209 388 L C 2.339 179.378 176.870 0.281 0.000 1.071 388 L CA 1.698 56.682 54.840 0.240 0.000 0.746 388 L CB -0.627 41.553 42.059 0.202 0.000 0.890 388 L HN 0.591 nan 8.230 nan 0.000 0.432 389 W N -0.050 121.394 121.300 0.240 0.000 2.304 389 W HA -0.373 4.290 4.660 0.005 0.000 0.315 389 W C 2.559 179.184 176.519 0.178 0.000 1.233 389 W CA 2.287 59.743 57.345 0.185 0.000 1.261 389 W CB -0.744 28.779 29.460 0.104 0.000 1.150 389 W HN 0.351 nan 8.180 nan 0.000 0.494 390 Y N 1.629 122.074 120.300 0.242 0.000 2.145 390 Y HA -0.253 4.299 4.550 0.003 0.000 0.286 390 Y C 2.833 178.761 175.900 0.046 0.000 1.145 390 Y CA 2.875 61.061 58.100 0.144 0.000 1.148 390 Y CB -0.923 37.660 38.460 0.205 0.000 0.981 390 Y HN -0.214 nan 8.280 nan 0.000 0.507 391 S N 0.613 116.536 115.700 0.373 0.000 2.359 391 S HA -0.211 4.261 4.470 0.003 0.000 0.224 391 S C 2.053 176.636 174.600 -0.028 0.000 1.035 391 S CA 1.763 60.114 58.200 0.252 0.000 1.018 391 S CB -0.597 62.820 63.200 0.362 0.000 0.876 391 S HN 0.510 nan 8.310 nan 0.000 0.448 392 I N 1.504 121.987 120.570 -0.146 0.000 2.151 392 I HA -0.244 3.928 4.170 0.003 0.000 0.243 392 I C 2.086 178.009 176.117 -0.323 0.000 1.080 392 I CA 1.221 62.357 61.300 -0.274 0.000 1.339 392 I CB -0.487 37.271 38.000 -0.404 0.000 1.039 392 I HN 0.244 nan 8.210 nan 0.000 0.409 393 L N 0.203 121.164 121.223 -0.435 0.000 2.079 393 L HA -0.257 4.085 4.340 0.003 0.000 0.210 393 L C 2.631 179.354 176.870 -0.244 0.000 1.081 393 L CA 1.593 56.218 54.840 -0.359 0.000 0.752 393 L CB -0.675 41.143 42.059 -0.402 0.000 0.896 393 L HN 0.357 nan 8.230 nan 0.000 0.433 394 E N 0.332 120.378 120.200 -0.256 0.000 2.106 394 E HA -0.221 4.131 4.350 0.003 0.000 0.192 394 E C 2.210 178.766 176.600 -0.073 0.000 0.984 394 E CA 1.107 57.415 56.400 -0.153 0.000 0.806 394 E CB 0.058 29.709 29.700 -0.081 0.000 0.750 394 E HN 0.468 nan 8.360 nan 0.000 0.458 395 A N 0.684 123.454 122.820 -0.084 0.000 1.929 395 A HA -0.184 4.138 4.320 0.003 0.000 0.216 395 A C 2.052 179.581 177.584 -0.091 0.000 1.176 395 A CA 1.287 53.273 52.037 -0.086 0.000 0.628 395 A CB -0.385 18.547 19.000 -0.114 0.000 0.816 395 A HN 0.280 nan 8.150 nan 0.000 0.444 396 Q N -0.849 118.891 119.800 -0.101 0.000 2.046 396 Q HA -0.118 4.224 4.340 0.003 0.000 0.200 396 Q C 2.215 178.202 176.000 -0.022 0.000 0.975 396 Q CA 1.971 57.739 55.803 -0.058 0.000 0.836 396 Q CB -0.372 28.336 28.738 -0.050 0.000 0.896 396 Q HN 0.661 nan 8.270 nan 0.000 0.428 397 T N 0.815 115.348 114.554 -0.034 0.000 2.665 397 T HA -0.218 4.134 4.350 0.003 0.000 0.268 397 T C 1.623 176.319 174.700 -0.005 0.000 1.035 397 T CA 1.538 63.631 62.100 -0.013 0.000 1.151 397 T CB -0.170 68.680 68.868 -0.029 0.000 0.862 397 T HN 0.331 nan 8.240 nan 0.000 0.438 398 E N 0.096 120.285 120.200 -0.017 0.000 2.170 398 E HA -0.083 4.269 4.350 0.003 0.000 0.191 398 E C 2.202 178.784 176.600 -0.031 0.000 0.981 398 E CA 1.391 57.783 56.400 -0.014 0.000 0.830 398 E CB 0.209 29.907 29.700 -0.004 0.000 0.775 398 E HN 0.647 nan 8.360 nan 0.000 0.470 399 T N -4.785 109.745 114.554 -0.041 0.000 2.959 399 T HA 0.300 4.652 4.350 0.003 0.000 0.254 399 T C 1.347 176.061 174.700 0.024 0.000 1.003 399 T CA 0.703 62.778 62.100 -0.042 0.000 0.950 399 T CB 1.028 69.835 68.868 -0.102 0.000 1.090 399 T HN 0.222 nan 8.240 nan 0.000 0.503 400 G N 1.433 110.258 108.800 0.042 0.000 2.176 400 G HA2 -0.183 3.779 3.960 0.003 0.000 0.253 400 G HA3 -0.183 3.779 3.960 0.003 0.000 0.253 400 G C 0.273 175.262 174.900 0.147 0.000 0.979 400 G CA 0.727 45.904 45.100 0.128 0.000 0.641 400 G HN 1.396 nan 8.290 nan 0.000 0.530 401 T N -2.630 111.924 114.554 -0.000 0.000 2.865 401 T HA 0.773 5.125 4.350 0.003 0.000 0.294 401 T C -3.394 171.191 174.700 -0.190 0.000 1.119 401 T CA -1.651 60.353 62.100 -0.160 0.000 1.007 401 T CB 3.275 71.926 68.868 -0.362 0.000 1.225 401 T HN 0.021 nan 8.240 nan 0.000 0.515 402 P HA 0.343 nan 4.420 nan 0.000 0.274 402 P C -0.381 176.807 177.300 -0.187 0.000 1.231 402 P CA -0.620 62.273 63.100 -0.345 0.000 0.790 402 P CB 0.141 31.695 31.700 -0.242 0.000 0.951 403 F N -0.264 119.608 119.950 -0.130 0.000 2.535 403 F HA 0.218 4.747 4.527 0.003 0.000 0.332 403 F C 0.834 176.565 175.800 -0.115 0.000 1.208 403 F CA -0.471 57.469 58.000 -0.100 0.000 1.330 403 F CB 0.247 39.200 39.000 -0.078 0.000 1.167 403 F HN -0.051 nan 8.300 nan 0.000 0.597 404 V N 2.389 122.363 119.914 0.100 0.000 2.483 404 V HA 0.415 4.537 4.120 0.003 0.000 0.297 404 V C -0.726 175.245 176.094 -0.205 0.000 1.027 404 V CA -0.647 61.574 62.300 -0.132 0.000 0.855 404 V CB 1.701 33.378 31.823 -0.243 0.000 0.995 404 V HN 0.491 nan 8.190 nan 0.000 0.424 405 V N 5.120 124.915 119.914 -0.199 0.000 2.482 405 V HA 0.414 4.537 4.120 0.003 0.000 0.295 405 V C -1.060 174.813 176.094 -0.368 0.000 1.026 405 V CA -0.913 61.303 62.300 -0.140 0.000 0.856 405 V CB 1.640 33.650 31.823 0.312 0.000 1.001 405 V HN 0.756 nan 8.190 nan 0.000 0.424 406 Y N 3.703 123.915 120.300 -0.146 0.000 2.531 406 Y HA 0.155 4.707 4.550 0.004 0.000 0.347 406 Y C 1.615 177.172 175.900 -0.573 0.000 1.024 406 Y CA -0.012 57.923 58.100 -0.274 0.000 1.306 406 Y CB 0.783 39.213 38.460 -0.050 0.000 1.149 406 Y HN 0.703 nan 8.280 nan 0.000 0.527 407 K N 1.924 121.825 120.400 -0.832 0.000 2.103 407 K HA -0.233 4.090 4.320 0.003 0.000 0.207 407 K C 0.602 176.820 176.600 -0.636 0.000 1.048 407 K CA 2.128 57.617 56.287 -1.330 0.000 0.930 407 K CB 0.123 31.707 32.500 -1.526 0.000 0.716 407 K HN 0.698 nan 8.250 nan 0.000 0.444 408 D N 0.462 120.658 120.400 -0.339 0.000 2.137 408 D HA -0.061 4.581 4.640 0.003 0.000 0.202 408 D C 1.926 178.106 176.300 -0.200 0.000 0.970 408 D CA 1.209 55.108 54.000 -0.168 0.000 0.837 408 D CB -0.175 40.621 40.800 -0.007 0.000 0.981 408 D HN 0.365 nan 8.370 nan 0.000 0.475 409 A N 0.834 123.544 122.820 -0.183 0.000 1.883 409 A HA -0.223 4.099 4.320 0.003 0.000 0.217 409 A C 2.576 180.010 177.584 -0.250 0.000 1.186 409 A CA 1.502 53.395 52.037 -0.239 0.000 0.624 409 A CB -1.075 17.812 19.000 -0.187 0.000 0.822 409 A HN 0.338 nan 8.150 nan 0.000 0.444 410 C N -0.349 118.810 119.300 -0.236 0.000 2.413 410 C HA -0.095 4.368 4.460 0.003 0.000 0.276 410 C C 2.705 177.564 174.990 -0.218 0.000 1.248 410 C CA 1.189 60.102 59.018 -0.174 0.000 1.742 410 C CB -1.435 26.243 27.740 -0.104 0.000 2.017 410 C HN 0.642 nan 8.230 nan 0.000 0.481 411 N N 0.099 118.564 118.700 -0.392 0.000 2.251 411 N HA -0.020 4.722 4.740 0.003 0.000 0.181 411 N C 1.960 177.196 175.510 -0.457 0.000 1.019 411 N CA 0.696 53.378 53.050 -0.614 0.000 0.862 411 N CB -0.343 37.264 38.487 -1.467 0.000 0.992 411 N HN 0.549 nan 8.380 nan 0.000 0.429 412 R N 1.100 121.414 120.500 -0.309 0.000 2.105 412 R HA -0.024 4.318 4.340 0.003 0.000 0.239 412 R C 0.629 176.843 176.300 -0.144 0.000 1.135 412 R CA 1.242 57.282 56.100 -0.100 0.000 0.967 412 R CB 0.074 30.316 30.300 -0.096 0.000 0.861 412 R HN 0.057 nan 8.270 nan 0.000 0.442 413 K N -0.231 120.048 120.400 -0.203 0.000 2.699 413 K HA 0.148 4.470 4.320 0.003 0.000 0.210 413 K C -0.703 175.834 176.600 -0.105 0.000 1.076 413 K CA -0.182 55.993 56.287 -0.186 0.000 1.109 413 K CB 1.491 33.793 32.500 -0.329 0.000 0.862 413 K HN -0.117 nan 8.250 nan 0.000 0.470 414 S N 0.171 115.813 115.700 -0.096 0.000 2.454 414 S HA 0.166 4.638 4.470 0.003 0.000 0.306 414 S C 0.564 175.138 174.600 -0.042 0.000 1.100 414 S CA -0.720 57.443 58.200 -0.061 0.000 1.087 414 S CB 0.987 64.145 63.200 -0.069 0.000 1.019 414 S HN 0.322 nan 8.310 nan 0.000 0.480 415 N N 3.438 122.128 118.700 -0.018 0.000 2.512 415 N HA -0.003 4.739 4.740 0.003 0.000 0.183 415 N C 1.221 176.733 175.510 0.003 0.000 1.073 415 N CA 1.059 54.111 53.050 0.004 0.000 0.911 415 N CB 0.059 38.572 38.487 0.044 0.000 0.964 415 N HN 0.697 nan 8.380 nan 0.000 0.447 416 Q N -0.413 119.371 119.800 -0.027 0.000 2.280 416 Q HA 0.021 4.363 4.340 0.003 0.000 0.202 416 Q C 1.108 177.058 176.000 -0.083 0.000 0.903 416 Q CA -0.020 55.750 55.803 -0.055 0.000 0.948 416 Q CB 0.247 28.938 28.738 -0.079 0.000 1.058 416 Q HN 0.550 nan 8.270 nan 0.000 0.493 417 K N 0.291 120.654 120.400 -0.061 0.000 2.362 417 K HA -0.113 4.209 4.320 0.003 0.000 0.200 417 K C 1.215 177.777 176.600 -0.063 0.000 1.046 417 K CA 1.372 57.625 56.287 -0.056 0.000 0.952 417 K CB -0.062 32.423 32.500 -0.026 0.000 0.753 417 K HN 0.098 nan 8.250 nan 0.000 0.466 418 N N 1.731 120.387 118.700 -0.073 0.000 2.550 418 N HA -0.118 4.624 4.740 0.003 0.000 0.186 418 N C 1.397 176.825 175.510 -0.137 0.000 1.110 418 N CA 0.745 53.748 53.050 -0.078 0.000 0.912 418 N CB -0.262 38.188 38.487 -0.060 0.000 0.968 418 N HN 0.343 nan 8.380 nan 0.000 0.448 419 L N -1.055 120.022 121.223 -0.242 0.000 2.341 419 L HA 0.279 4.621 4.340 0.003 0.000 0.214 419 L C 1.285 177.719 176.870 -0.727 0.000 1.115 419 L CA 0.489 55.035 54.840 -0.489 0.000 0.820 419 L CB -0.482 41.172 42.059 -0.676 0.000 0.944 419 L HN 0.421 nan 8.230 nan 0.000 0.452 420 G N -0.753 107.791 108.800 -0.427 0.000 2.334 420 G HA2 -0.049 3.913 3.960 0.003 0.000 0.315 420 G HA3 -0.049 3.913 3.960 0.003 0.000 0.315 420 G C -1.201 173.717 174.900 0.031 0.000 1.284 420 G CA -0.864 44.108 45.100 -0.212 0.000 0.985 420 G HN -0.280 nan 8.290 nan 0.000 0.504 421 V N 1.079 121.129 119.914 0.227 0.000 2.488 421 V HA 0.371 4.493 4.120 0.003 0.000 0.277 421 V C 1.075 177.333 176.094 0.273 0.000 1.046 421 V CA -0.162 62.282 62.300 0.240 0.000 0.986 421 V CB 0.921 32.912 31.823 0.280 0.000 0.989 421 V HN 0.557 nan 8.190 nan 0.000 0.475 422 I N 5.558 126.235 120.570 0.179 0.000 2.496 422 I HA 0.202 4.374 4.170 0.003 0.000 0.285 422 I C 1.030 177.210 176.117 0.106 0.000 1.080 422 I CA 0.150 61.526 61.300 0.126 0.000 1.404 422 I CB 0.732 38.806 38.000 0.122 0.000 1.403 422 I HN 0.673 nan 8.210 nan 0.000 0.539 423 K N 3.544 123.742 120.400 -0.336 0.000 2.373 423 K HA 0.165 4.487 4.320 0.003 0.000 0.200 423 K C 0.044 175.685 176.600 -1.599 0.000 1.054 423 K CA 0.039 55.897 56.287 -0.714 0.000 1.065 423 K CB 0.634 32.596 32.500 -0.897 0.000 0.886 423 K HN 0.764 nan 8.250 nan 0.000 0.546 424 S N -1.589 113.201 115.700 -1.516 0.000 2.615 424 S HA 0.435 4.907 4.470 0.003 0.000 0.269 424 S C -0.540 173.258 174.600 -1.335 0.000 1.161 424 S CA -0.836 56.279 58.200 -1.808 0.000 0.817 424 S CB 1.860 64.416 63.200 -1.074 0.000 1.131 424 S HN -0.062 nan 8.310 nan 0.000 0.467 425 S N 0.436 115.241 115.700 -1.492 0.000 2.496 425 S HA 0.634 5.106 4.470 0.003 0.000 0.260 425 S C -0.165 174.127 174.600 -0.513 0.000 1.122 425 S CA -0.382 57.447 58.200 -0.618 0.000 1.019 425 S CB 0.092 63.224 63.200 -0.114 0.000 1.226 425 S HN 0.995 nan 8.310 nan 0.000 0.502 426 N N 0.037 118.679 118.700 -0.095 0.000 2.989 426 N HA 0.202 4.944 4.740 0.003 0.000 0.338 426 N C 0.779 176.415 175.510 0.209 0.000 1.369 426 N CA -0.601 52.471 53.050 0.037 0.000 0.794 426 N CB -0.342 38.139 38.487 -0.010 0.000 1.359 426 N HN 0.447 nan 8.380 nan 0.000 0.609 427 L N 0.197 121.510 121.223 0.151 0.000 2.081 427 L HA -0.033 4.309 4.340 0.003 0.000 0.212 427 L C 1.407 178.302 176.870 0.042 0.000 1.080 427 L CA 1.781 56.715 54.840 0.156 0.000 0.754 427 L CB -0.476 41.669 42.059 0.143 0.000 0.893 427 L HN 0.723 nan 8.230 nan 0.000 0.433 428 C N -2.027 117.208 119.300 -0.109 0.000 3.000 428 C HA 0.288 4.750 4.460 0.003 0.000 0.286 428 C C 1.203 175.721 174.990 -0.786 0.000 1.343 428 C CA -0.464 58.260 59.018 -0.489 0.000 1.742 428 C CB -1.808 25.758 27.740 -0.290 0.000 2.200 428 C HN 0.704 nan 8.230 nan 0.000 0.621 429 C N 2.692 121.785 119.300 -0.345 0.000 4.454 429 C HA -0.131 4.331 4.460 0.003 0.000 0.298 429 C C 1.780 176.660 174.990 -0.185 0.000 1.384 429 C CA 1.517 60.407 59.018 -0.213 0.000 2.002 429 C CB -2.605 24.928 27.740 -0.345 0.000 1.249 429 C HN 0.827 nan 8.230 nan 0.000 0.783 430 E N -0.494 119.625 120.200 -0.135 0.000 2.421 430 E HA 0.136 4.488 4.350 0.003 0.000 0.209 430 E C 0.490 177.078 176.600 -0.020 0.000 0.871 430 E CA 0.215 56.582 56.400 -0.055 0.000 1.064 430 E CB 0.133 29.818 29.700 -0.025 0.000 1.075 430 E HN 0.572 nan 8.360 nan 0.000 0.513 431 I N 2.696 123.244 120.570 -0.038 0.000 2.474 431 I HA 0.190 4.362 4.170 0.003 0.000 0.287 431 I C -0.064 176.027 176.117 -0.043 0.000 1.048 431 I CA -0.714 60.562 61.300 -0.040 0.000 1.383 431 I CB 1.359 39.324 38.000 -0.057 0.000 1.412 431 I HN -0.129 nan 8.210 nan 0.000 0.531 432 V N 6.903 126.801 119.914 -0.027 0.000 2.439 432 V HA 0.387 4.510 4.120 0.003 0.000 0.277 432 V C -0.296 175.784 176.094 -0.023 0.000 1.008 432 V CA -0.540 61.754 62.300 -0.011 0.000 0.846 432 V CB 1.206 33.050 31.823 0.035 0.000 1.031 432 V HN 0.778 nan 8.190 nan 0.000 0.441 433 E N 2.132 122.304 120.200 -0.048 0.000 2.408 433 E HA 0.433 4.786 4.350 0.003 0.000 0.275 433 E C -1.684 174.904 176.600 -0.020 0.000 0.935 433 E CA -1.053 55.327 56.400 -0.033 0.000 0.775 433 E CB 2.973 32.647 29.700 -0.043 0.000 1.277 433 E HN 0.526 nan 8.360 nan 0.000 0.455 434 Y N 2.017 122.242 120.300 -0.125 0.000 2.377 434 Y HA 0.284 4.836 4.550 0.003 0.000 0.330 434 Y C -0.426 175.437 175.900 -0.061 0.000 1.108 434 Y CA -0.003 58.032 58.100 -0.107 0.000 1.308 434 Y CB 0.715 39.093 38.460 -0.137 0.000 1.216 434 Y HN 0.465 nan 8.280 nan 0.000 0.518 435 S N 4.524 119.818 115.700 -0.677 0.000 2.548 435 S HA 0.989 5.461 4.470 0.003 0.000 0.286 435 S C -1.092 173.137 174.600 -0.618 0.000 1.098 435 S CA -0.339 57.581 58.200 -0.467 0.000 0.930 435 S CB 1.772 64.879 63.200 -0.155 0.000 1.070 435 S HN 1.211 nan 8.310 nan 0.000 0.480 436 A N 1.592 124.210 122.820 -0.336 0.000 2.602 436 A HA 0.886 5.208 4.320 0.003 0.000 0.290 436 A C -2.707 174.843 177.584 -0.058 0.000 1.114 436 A CA -1.702 50.229 52.037 -0.177 0.000 0.683 436 A CB 0.209 19.137 19.000 -0.120 0.000 1.281 436 A HN 0.524 nan 8.150 nan 0.000 0.416 437 P HA -0.154 nan 4.420 nan 0.000 0.217 437 P C 0.549 177.853 177.300 0.006 0.000 1.148 437 P CA 1.947 65.045 63.100 -0.004 0.000 0.828 437 P CB 0.125 31.839 31.700 0.023 0.000 0.783 438 D N -1.712 118.703 120.400 0.025 0.000 2.349 438 D HA -0.007 4.635 4.640 0.003 0.000 0.214 438 D C 0.192 176.514 176.300 0.037 0.000 1.063 438 D CA 0.358 54.379 54.000 0.034 0.000 0.847 438 D CB 0.007 40.836 40.800 0.048 0.000 0.933 438 D HN 0.181 nan 8.370 nan 0.000 0.513 439 E N 0.363 120.580 120.200 0.028 0.000 2.235 439 E HA 0.245 4.597 4.350 0.003 0.000 0.252 439 E C -1.096 175.505 176.600 0.001 0.000 0.886 439 E CA -0.364 56.061 56.400 0.041 0.000 0.767 439 E CB 1.717 31.487 29.700 0.118 0.000 1.205 439 E HN -0.110 nan 8.360 nan 0.000 0.421 440 T N 2.154 116.726 114.554 0.030 0.000 2.727 440 T HA 0.326 4.678 4.350 0.003 0.000 0.298 440 T C 0.158 174.900 174.700 0.070 0.000 0.942 440 T CA -0.418 61.712 62.100 0.049 0.000 0.997 440 T CB 0.773 69.706 68.868 0.109 0.000 0.917 440 T HN 0.477 nan 8.240 nan 0.000 0.487 441 A N 3.975 126.808 122.820 0.022 0.000 2.498 441 A HA 0.513 4.835 4.320 0.003 0.000 0.239 441 A C 0.082 177.639 177.584 -0.046 0.000 1.068 441 A CA -0.238 51.801 52.037 0.003 0.000 0.766 441 A CB 0.178 19.156 19.000 -0.037 0.000 1.003 441 A HN 0.673 nan 8.150 nan 0.000 0.497 442 V N 1.300 121.161 119.914 -0.089 0.000 2.823 442 V HA 0.593 4.715 4.120 0.003 0.000 0.312 442 V C -0.216 175.768 176.094 -0.183 0.000 1.072 442 V CA -0.622 61.516 62.300 -0.270 0.000 0.937 442 V CB 1.731 33.453 31.823 -0.169 0.000 1.013 442 V HN 1.122 nan 8.190 nan 0.000 0.430 443 C N 3.017 122.170 119.300 -0.246 0.000 2.888 443 C HA 0.598 5.060 4.460 0.003 0.000 0.308 443 C C -0.582 174.343 174.990 -0.108 0.000 1.213 443 C CA -0.848 58.095 59.018 -0.125 0.000 1.461 443 C CB 1.832 29.522 27.740 -0.083 0.000 1.934 443 C HN 1.060 nan 8.230 nan 0.000 0.474 444 N N 2.872 121.547 118.700 -0.042 0.000 2.400 444 N HA 0.759 5.501 4.740 0.003 0.000 0.288 444 N C -1.290 174.231 175.510 0.018 0.000 1.024 444 N CA -0.469 52.581 53.050 -0.000 0.000 0.894 444 N CB 1.002 39.507 38.487 0.029 0.000 1.173 444 N HN 0.465 nan 8.380 nan 0.000 0.487 445 L N 0.960 122.206 121.223 0.038 0.000 2.342 445 L HA 0.945 5.287 4.340 0.003 0.000 0.271 445 L C -0.332 176.546 176.870 0.014 0.000 1.008 445 L CA -1.130 53.726 54.840 0.027 0.000 0.818 445 L CB 1.702 43.782 42.059 0.034 0.000 1.296 445 L HN 0.564 nan 8.230 nan 0.000 0.427 446 A N 1.226 124.014 122.820 -0.053 0.000 2.572 446 A HA 0.790 5.112 4.320 0.003 0.000 0.295 446 A C -0.832 176.721 177.584 -0.053 0.000 1.072 446 A CA -0.504 51.445 52.037 -0.147 0.000 0.691 446 A CB 2.097 20.808 19.000 -0.480 0.000 1.291 446 A HN 0.686 nan 8.150 nan 0.000 0.404 447 S N 0.623 116.329 115.700 0.011 0.000 2.561 447 S HA 0.645 5.117 4.470 0.003 0.000 0.303 447 S C -0.557 174.118 174.600 0.125 0.000 1.110 447 S CA -0.627 57.614 58.200 0.069 0.000 1.034 447 S CB 1.127 64.385 63.200 0.098 0.000 1.010 447 S HN 1.022 nan 8.310 nan 0.000 0.482 448 V N 2.661 122.639 119.914 0.107 0.000 2.614 448 V HA 0.507 4.630 4.120 0.003 0.000 0.291 448 V C 0.897 177.108 176.094 0.195 0.000 1.049 448 V CA -0.166 62.249 62.300 0.192 0.000 1.038 448 V CB 0.968 32.863 31.823 0.119 0.000 0.980 448 V HN 1.127 nan 8.190 nan 0.000 0.481 449 A N 5.631 128.602 122.820 0.252 0.000 2.527 449 A HA 0.440 4.762 4.320 0.003 0.000 0.313 449 A C 1.108 178.746 177.584 0.090 0.000 1.410 449 A CA -0.359 51.743 52.037 0.109 0.000 1.060 449 A CB -0.258 18.834 19.000 0.154 0.000 1.137 449 A HN 0.915 nan 8.150 nan 0.000 0.542 450 L N 2.503 123.746 121.223 0.034 0.000 2.021 450 L HA -0.169 4.173 4.340 0.003 0.000 0.215 450 L C -0.526 176.442 176.870 0.165 0.000 1.074 450 L CA 1.633 56.558 54.840 0.142 0.000 0.760 450 L CB -1.316 40.721 42.059 -0.037 0.000 0.889 450 L HN 0.419 nan 8.230 nan 0.000 0.433 451 P HA -0.119 nan 4.420 nan 0.000 0.228 451 P C 0.971 178.149 177.300 -0.204 0.000 1.151 451 P CA 1.240 64.214 63.100 -0.210 0.000 0.770 451 P CB -0.023 31.393 31.700 -0.474 0.000 0.786 452 A N -2.074 120.562 122.820 -0.307 0.000 2.235 452 A HA 0.052 4.374 4.320 0.003 0.000 0.208 452 A C 0.987 178.119 177.584 -0.753 0.000 1.172 452 A CA 0.597 52.282 52.037 -0.586 0.000 0.786 452 A CB -1.221 17.275 19.000 -0.841 0.000 0.804 452 A HN 0.145 nan 8.150 nan 0.000 0.479 453 F N -0.928 118.830 119.950 -0.320 0.000 2.706 453 F HA 0.407 4.936 4.527 0.004 0.000 0.313 453 F C 0.484 175.900 175.800 -0.639 0.000 1.096 453 F CA -0.624 57.080 58.000 -0.493 0.000 1.219 453 F CB 0.139 38.680 39.000 -0.765 0.000 1.051 453 F HN -0.029 nan 8.300 nan 0.000 0.568 454 I N 2.839 123.235 120.570 -0.290 0.000 2.556 454 I HA 0.132 4.304 4.170 0.003 0.000 0.284 454 I C -0.057 175.987 176.117 -0.122 0.000 1.114 454 I CA 0.352 61.555 61.300 -0.161 0.000 1.418 454 I CB 0.549 38.522 38.000 -0.045 0.000 1.394 454 I HN 0.285 nan 8.210 nan 0.000 0.552 455 E N 3.350 123.499 120.200 -0.085 0.000 2.375 455 E HA 0.329 4.681 4.350 0.003 0.000 0.280 455 E C -1.145 175.438 176.600 -0.029 0.000 0.972 455 E CA -1.032 55.334 56.400 -0.057 0.000 0.782 455 E CB 1.199 30.863 29.700 -0.059 0.000 1.229 455 E HN 0.490 nan 8.360 nan 0.000 0.439 456 T N 0.407 114.950 114.554 -0.019 0.000 2.888 456 T HA 0.163 4.515 4.350 0.003 0.000 0.301 456 T C 0.595 175.292 174.700 -0.006 0.000 1.001 456 T CA -0.505 61.590 62.100 -0.008 0.000 1.147 456 T CB 1.283 70.147 68.868 -0.006 0.000 0.931 456 T HN 0.437 nan 8.240 nan 0.000 0.541 457 S N 0.781 116.481 115.700 0.001 0.000 2.634 457 S HA 0.032 4.504 4.470 0.003 0.000 0.254 457 S C 0.780 175.381 174.600 0.001 0.000 1.299 457 S CA -0.576 57.626 58.200 0.003 0.000 0.974 457 S CB 0.184 63.390 63.200 0.010 0.000 1.001 457 S HN 0.834 nan 8.310 nan 0.000 0.584 458 E N 1.430 121.631 120.200 0.001 0.000 1.896 458 E HA 0.076 4.428 4.350 0.003 0.000 0.276 458 E C -0.697 175.903 176.600 -0.000 0.000 1.171 458 E CA 0.491 56.891 56.400 -0.000 0.000 1.118 458 E CB -0.601 29.098 29.700 -0.001 0.000 1.077 458 E HN 0.545 nan 8.360 nan 0.000 0.452 459 D N 0.034 120.434 120.400 -0.000 0.000 2.023 459 D HA 0.044 4.686 4.640 0.003 0.000 0.036 459 D C 0.679 176.979 176.300 0.001 0.000 1.455 459 D CA 0.993 54.993 54.000 0.000 0.000 0.570 459 D CB -0.731 40.069 40.800 0.001 0.000 3.256 459 D HN 0.375 nan 8.370 nan 0.000 0.192 460 G N -0.138 108.664 108.800 0.002 0.000 3.724 460 G HA2 -0.089 3.873 3.960 0.003 0.000 0.212 460 G HA3 -0.089 3.873 3.960 0.003 0.000 0.212 460 G C 0.321 175.223 174.900 0.004 0.000 0.928 460 G CA 0.402 45.504 45.100 0.002 0.000 0.879 460 G HN 0.228 nan 8.290 nan 0.000 0.424 461 K N 2.042 122.444 120.400 0.005 0.000 2.878 461 K HA 0.162 4.484 4.320 0.003 0.000 0.242 461 K C 1.249 177.854 176.600 0.008 0.000 0.985 461 K CA 1.327 57.617 56.287 0.006 0.000 1.168 461 K CB -0.392 32.111 32.500 0.006 0.000 0.993 461 K HN 0.562 nan 8.250 nan 0.000 0.476 462 T N -5.031 109.528 114.554 0.008 0.000 3.277 462 T HA 0.123 4.475 4.350 0.003 0.000 0.136 462 T C -0.269 174.438 174.700 0.011 0.000 0.874 462 T CA -0.146 61.960 62.100 0.011 0.000 0.823 462 T CB 0.284 69.161 68.868 0.014 0.000 1.493 462 T HN 0.012 nan 8.240 nan 0.000 0.296 463 S N 1.264 116.969 115.700 0.009 0.000 2.911 463 S HA 0.144 4.616 4.470 0.003 0.000 0.837 463 S C -0.157 174.456 174.600 0.022 0.000 0.825 463 S CA 0.222 58.427 58.200 0.008 0.000 1.489 463 S CB -1.194 62.009 63.200 0.005 0.000 1.063 463 S HN 1.350 nan 8.310 nan 0.000 0.469 464 T N 1.809 116.376 114.554 0.022 0.000 2.633 464 T HA 0.777 5.129 4.350 0.003 0.000 0.262 464 T C -0.994 173.731 174.700 0.041 0.000 0.920 464 T CA -0.714 61.416 62.100 0.050 0.000 1.062 464 T CB 1.066 69.966 68.868 0.054 0.000 1.390 464 T HN 0.588 nan 8.240 nan 0.000 0.549 465 Y N 1.324 121.538 120.300 -0.143 0.000 2.331 465 Y HA 0.510 5.062 4.550 0.004 0.000 0.334 465 Y C -0.205 175.424 175.900 -0.452 0.000 0.960 465 Y CA -1.087 56.796 58.100 -0.361 0.000 1.130 465 Y CB 1.435 39.517 38.460 -0.629 0.000 1.164 465 Y HN 0.696 nan 8.280 nan 0.000 0.458 466 N N 5.693 124.070 118.700 -0.540 0.000 2.807 466 N HA 0.049 4.791 4.740 0.003 0.000 0.259 466 N C 0.004 175.397 175.510 -0.195 0.000 1.149 466 N CA 0.187 53.097 53.050 -0.232 0.000 1.042 466 N CB -0.391 38.048 38.487 -0.079 0.000 1.367 466 N HN 0.660 nan 8.380 nan 0.000 0.516 467 F N 1.149 121.184 119.950 0.141 0.000 2.408 467 F HA -0.038 4.491 4.527 0.003 0.000 0.300 467 F C 1.970 177.950 175.800 0.301 0.000 1.090 467 F CA 0.720 58.863 58.000 0.238 0.000 1.427 467 F CB 0.222 39.392 39.000 0.283 0.000 1.070 467 F HN 0.339 nan 8.300 nan 0.000 0.549 468 K N -0.105 120.501 120.400 0.344 0.000 2.137 468 K HA -0.064 4.258 4.320 0.003 0.000 0.202 468 K C 2.074 178.821 176.600 0.246 0.000 1.052 468 K CA 0.550 57.033 56.287 0.326 0.000 0.961 468 K CB -0.081 32.520 32.500 0.168 0.000 0.741 468 K HN 0.037 nan 8.250 nan 0.000 0.452 469 K N 1.380 121.891 120.400 0.185 0.000 2.031 469 K HA -0.075 4.247 4.320 0.003 0.000 0.205 469 K C 2.180 178.885 176.600 0.176 0.000 1.049 469 K CA 0.700 57.127 56.287 0.233 0.000 0.939 469 K CB -0.439 32.272 32.500 0.353 0.000 0.717 469 K HN 0.036 nan 8.250 nan 0.000 0.438 470 L N 1.355 122.414 121.223 -0.274 0.000 2.043 470 L HA -0.236 4.106 4.340 0.003 0.000 0.212 470 L C 2.478 179.187 176.870 -0.268 0.000 1.075 470 L CA 1.974 56.289 54.840 -0.874 0.000 0.752 470 L CB -0.729 40.860 42.059 -0.783 0.000 0.891 470 L HN 0.362 nan 8.230 nan 0.000 0.432 471 H N -0.192 118.792 119.070 -0.144 0.000 2.353 471 H HA -0.147 4.411 4.556 0.003 0.000 0.300 471 H C 2.021 177.265 175.328 -0.140 0.000 1.090 471 H CA 2.096 58.017 56.048 -0.210 0.000 1.327 471 H CB 0.239 29.839 29.762 -0.270 0.000 1.383 471 H HN 0.558 nan 8.280 nan 0.000 0.508 472 E N -0.179 120.084 120.200 0.105 0.000 2.077 472 E HA -0.143 4.209 4.350 0.003 0.000 0.193 472 E C 2.326 178.920 176.600 -0.010 0.000 0.989 472 E CA 1.135 57.572 56.400 0.062 0.000 0.800 472 E CB 0.070 29.819 29.700 0.083 0.000 0.746 472 E HN 0.349 nan 8.360 nan 0.000 0.452 473 I N 0.982 121.568 120.570 0.026 0.000 2.286 473 I HA -0.182 3.991 4.170 0.003 0.000 0.245 473 I C 2.294 178.338 176.117 -0.122 0.000 1.104 473 I CA 0.935 62.255 61.300 0.034 0.000 1.397 473 I CB -0.316 37.860 38.000 0.293 0.000 1.072 473 I HN 0.024 nan 8.210 nan 0.000 0.417 474 A N 0.286 123.003 122.820 -0.172 0.000 1.978 474 A HA -0.224 4.098 4.320 0.003 0.000 0.220 474 A C 2.277 179.709 177.584 -0.253 0.000 1.170 474 A CA 1.539 53.429 52.037 -0.244 0.000 0.636 474 A CB -0.478 18.345 19.000 -0.294 0.000 0.810 474 A HN 0.306 nan 8.150 nan 0.000 0.448 475 K N -0.326 119.927 120.400 -0.245 0.000 2.148 475 K HA -0.058 4.264 4.320 0.003 0.000 0.204 475 K C 1.945 178.463 176.600 -0.137 0.000 1.050 475 K CA 1.363 57.532 56.287 -0.197 0.000 0.942 475 K CB -0.496 31.909 32.500 -0.158 0.000 0.724 475 K HN 0.408 nan 8.250 nan 0.000 0.446 476 V N 1.240 121.073 119.914 -0.136 0.000 2.283 476 V HA -0.181 3.941 4.120 0.003 0.000 0.243 476 V C 2.495 178.486 176.094 -0.171 0.000 1.039 476 V CA 1.255 63.495 62.300 -0.100 0.000 1.016 476 V CB -0.493 31.298 31.823 -0.053 0.000 0.650 476 V HN -0.036 nan 8.190 nan 0.000 0.449 477 V N 0.312 119.984 119.914 -0.404 0.000 2.380 477 V HA -0.326 3.796 4.120 0.003 0.000 0.251 477 V C 2.589 178.558 176.094 -0.208 0.000 1.063 477 V CA 2.718 64.729 62.300 -0.482 0.000 1.055 477 V CB -1.181 30.268 31.823 -0.624 0.000 0.657 477 V HN 0.634 nan 8.190 nan 0.000 0.455 478 T N -0.473 113.981 114.554 -0.165 0.000 2.788 478 T HA -0.162 4.190 4.350 0.003 0.000 0.268 478 T C 2.041 176.715 174.700 -0.044 0.000 1.044 478 T CA 1.402 63.444 62.100 -0.097 0.000 1.139 478 T CB -0.208 68.596 68.868 -0.107 0.000 0.867 478 T HN 0.484 nan 8.240 nan 0.000 0.454 479 R N 0.977 121.459 120.500 -0.029 0.000 2.073 479 R HA 0.017 4.360 4.340 0.003 0.000 0.229 479 R C 2.376 178.714 176.300 0.063 0.000 1.120 479 R CA 1.075 57.192 56.100 0.027 0.000 0.967 479 R CB -0.334 29.996 30.300 0.050 0.000 0.862 479 R HN 0.306 nan 8.270 nan 0.000 0.436 480 N N 1.291 120.041 118.700 0.083 0.000 2.025 480 N HA -0.152 4.590 4.740 0.003 0.000 0.194 480 N C 1.876 177.426 175.510 0.066 0.000 1.044 480 N CA 1.253 54.348 53.050 0.075 0.000 0.851 480 N CB -0.443 38.194 38.487 0.250 0.000 1.036 480 N HN 0.140 nan 8.380 nan 0.000 0.422 481 L N 0.845 122.126 121.223 0.098 0.000 2.187 481 L HA -0.139 4.203 4.340 0.003 0.000 0.213 481 L C 2.127 179.020 176.870 0.038 0.000 1.100 481 L CA 0.877 55.764 54.840 0.079 0.000 0.765 481 L CB -0.437 41.642 42.059 0.032 0.000 0.904 481 L HN 0.353 nan 8.230 nan 0.000 0.437 482 N N 0.190 118.906 118.700 0.026 0.000 2.250 482 N HA -0.144 4.598 4.740 0.003 0.000 0.181 482 N C 1.955 177.482 175.510 0.028 0.000 1.017 482 N CA 0.614 53.680 53.050 0.027 0.000 0.866 482 N CB 0.172 38.673 38.487 0.023 0.000 0.985 482 N HN 0.207 nan 8.380 nan 0.000 0.429 483 R N 0.872 121.379 120.500 0.013 0.000 2.091 483 R HA -0.068 4.275 4.340 0.003 0.000 0.238 483 R C 2.267 178.563 176.300 -0.007 0.000 1.136 483 R CA 0.738 56.835 56.100 -0.004 0.000 0.959 483 R CB -1.079 29.181 30.300 -0.066 0.000 0.856 483 R HN 0.167 nan 8.270 nan 0.000 0.437 484 V N 1.795 121.698 119.914 -0.019 0.000 2.380 484 V HA -0.249 3.873 4.120 0.003 0.000 0.251 484 V C 2.444 178.548 176.094 0.016 0.000 1.063 484 V CA 1.683 63.975 62.300 -0.015 0.000 1.055 484 V CB -0.513 31.306 31.823 -0.006 0.000 0.657 484 V HN 0.245 nan 8.190 nan 0.000 0.455 485 I N 0.137 120.739 120.570 0.055 0.000 2.248 485 I HA -0.291 3.881 4.170 0.003 0.000 0.248 485 I C 2.131 178.351 176.117 0.172 0.000 1.107 485 I CA 1.799 63.175 61.300 0.128 0.000 1.373 485 I CB -0.404 37.663 38.000 0.111 0.000 1.055 485 I HN 0.389 nan 8.210 nan 0.000 0.418 486 D N 0.067 120.531 120.400 0.108 0.000 2.271 486 D HA -0.004 4.638 4.640 0.003 0.000 0.206 486 D C 1.971 178.331 176.300 0.101 0.000 0.967 486 D CA 0.715 54.783 54.000 0.113 0.000 0.867 486 D CB 0.082 40.929 40.800 0.078 0.000 0.960 486 D HN 0.342 nan 8.370 nan 0.000 0.509 487 R N 0.303 120.838 120.500 0.058 0.000 2.362 487 R HA 0.127 4.469 4.340 0.003 0.000 0.227 487 R C 0.313 176.627 176.300 0.023 0.000 0.905 487 R CA -0.336 55.791 56.100 0.046 0.000 1.067 487 R CB 0.204 30.520 30.300 0.025 0.000 1.078 487 R HN -0.044 nan 8.270 nan 0.000 0.516 488 N N 0.894 119.569 118.700 -0.042 0.000 2.513 488 N HA -0.091 4.651 4.740 0.003 0.000 0.268 488 N C -1.146 174.259 175.510 -0.175 0.000 1.180 488 N CA -0.161 52.771 53.050 -0.197 0.000 0.948 488 N CB 0.442 38.616 38.487 -0.521 0.000 1.083 488 N HN 0.059 nan 8.380 nan 0.000 0.455 489 Y N 4.123 124.313 120.300 -0.183 0.000 2.452 489 Y HA 0.282 4.834 4.550 0.003 0.000 0.348 489 Y C -1.153 174.683 175.900 -0.108 0.000 0.985 489 Y CA -0.645 57.414 58.100 -0.069 0.000 1.214 489 Y CB -0.009 38.451 38.460 0.000 0.000 1.136 489 Y HN 0.473 nan 8.280 nan 0.000 0.523 490 Y N 8.828 128.878 120.300 -0.416 0.000 2.316 490 Y HA 0.240 4.793 4.550 0.003 0.000 0.331 490 Y C -1.384 174.199 175.900 -0.528 0.000 1.083 490 Y CA -2.084 55.856 58.100 -0.266 0.000 1.206 490 Y CB 0.869 39.268 38.460 -0.102 0.000 1.195 490 Y HN 0.597 nan 8.280 nan 0.000 0.497 491 P HA -0.075 nan 4.420 nan 0.000 0.218 491 P C -0.416 176.856 177.300 -0.048 0.000 1.152 491 P CA 0.955 64.023 63.100 -0.054 0.000 0.826 491 P CB 0.321 32.004 31.700 -0.029 0.000 0.790 492 V N -3.289 116.621 119.914 -0.008 0.000 2.789 492 V HA 0.492 4.614 4.120 0.003 0.000 0.311 492 V C 1.320 177.422 176.094 0.014 0.000 1.073 492 V CA -0.864 61.434 62.300 -0.002 0.000 0.921 492 V CB 1.971 33.787 31.823 -0.012 0.000 1.009 492 V HN -0.184 nan 8.190 nan 0.000 0.426 493 E N 2.771 122.967 120.200 -0.007 0.000 2.160 493 E HA -0.228 4.124 4.350 0.003 0.000 0.195 493 E C 1.419 178.002 176.600 -0.029 0.000 0.991 493 E CA 2.370 58.756 56.400 -0.024 0.000 0.810 493 E CB -0.145 29.546 29.700 -0.016 0.000 0.742 493 E HN 0.890 nan 8.360 nan 0.000 0.466 494 E N 0.465 120.665 120.200 -0.001 0.000 2.097 494 E HA -0.174 4.178 4.350 0.003 0.000 0.196 494 E C 2.040 178.647 176.600 0.012 0.000 1.000 494 E CA 1.731 58.136 56.400 0.008 0.000 0.804 494 E CB -0.496 29.216 29.700 0.020 0.000 0.740 494 E HN 0.465 nan 8.360 nan 0.000 0.454 495 A N 0.862 123.717 122.820 0.057 0.000 1.930 495 A HA -0.169 4.153 4.320 0.003 0.000 0.217 495 A C 2.143 179.623 177.584 -0.173 0.000 1.175 495 A CA 1.523 53.629 52.037 0.115 0.000 0.627 495 A CB -0.376 18.886 19.000 0.437 0.000 0.815 495 A HN 0.094 nan 8.150 nan 0.000 0.443 496 R N -0.028 120.255 120.500 -0.362 0.000 2.075 496 R HA -0.137 4.205 4.340 0.003 0.000 0.232 496 R C 2.278 178.319 176.300 -0.431 0.000 1.126 496 R CA 1.785 57.395 56.100 -0.816 0.000 0.963 496 R CB -0.284 29.694 30.300 -0.537 0.000 0.858 496 R HN 0.559 nan 8.270 nan 0.000 0.435 497 K N 0.032 120.304 120.400 -0.213 0.000 2.063 497 K HA -0.161 4.161 4.320 0.003 0.000 0.208 497 K C 2.111 178.646 176.600 -0.107 0.000 1.048 497 K CA 1.974 58.187 56.287 -0.123 0.000 0.928 497 K CB -0.246 32.223 32.500 -0.051 0.000 0.713 497 K HN 0.119 nan 8.250 nan 0.000 0.442 498 S N 0.195 115.858 115.700 -0.061 0.000 2.355 498 S HA -0.130 4.342 4.470 0.003 0.000 0.222 498 S C 1.842 176.453 174.600 0.019 0.000 1.031 498 S CA 1.555 59.786 58.200 0.052 0.000 0.993 498 S CB -0.384 62.876 63.200 0.101 0.000 0.859 498 S HN 0.421 nan 8.310 nan 0.000 0.453 499 N N 0.364 119.018 118.700 -0.076 0.000 2.300 499 N HA 0.111 4.853 4.740 0.003 0.000 0.179 499 N C 1.671 177.140 175.510 -0.068 0.000 1.016 499 N CA 1.092 54.119 53.050 -0.039 0.000 0.876 499 N CB -0.254 38.229 38.487 -0.006 0.000 0.979 499 N HN 0.329 nan 8.380 nan 0.000 0.432 500 M N 0.097 119.606 119.600 -0.151 0.000 2.374 500 M HA 0.016 4.498 4.480 0.003 0.000 0.264 500 M C 1.690 177.929 176.300 -0.101 0.000 1.067 500 M CA 0.980 56.220 55.300 -0.100 0.000 1.103 500 M CB -0.685 31.845 32.600 -0.118 0.000 1.402 500 M HN 0.154 nan 8.290 nan 0.000 0.444 501 R N -0.925 119.439 120.500 -0.226 0.000 2.075 501 R HA -0.051 4.292 4.340 0.003 0.000 0.226 501 R C 1.788 177.932 176.300 -0.260 0.000 1.114 501 R CA 0.988 56.861 56.100 -0.378 0.000 0.972 501 R CB -0.003 29.843 30.300 -0.756 0.000 0.869 501 R HN 0.509 nan 8.270 nan 0.000 0.437 502 H N -0.559 118.587 119.070 0.126 0.000 2.855 502 H HA 0.280 4.838 4.556 0.004 0.000 0.259 502 H C 0.042 175.259 175.328 -0.185 0.000 0.972 502 H CA -0.071 56.011 56.048 0.055 0.000 1.213 502 H CB 0.580 30.351 29.762 0.015 0.000 1.451 502 H HN 0.032 nan 8.280 nan 0.000 0.484 503 R N 0.559 121.073 120.500 0.023 0.000 3.333 503 R HA -0.103 4.239 4.340 0.003 0.000 0.256 503 R C -2.589 173.673 176.300 -0.063 0.000 1.010 503 R CA 0.124 56.217 56.100 -0.011 0.000 0.680 503 R CB -2.012 28.297 30.300 0.015 0.000 1.102 503 R HN 0.367 nan 8.270 nan 0.000 0.440 504 P HA 0.209 nan 4.420 nan 0.000 0.272 504 P C 0.101 177.386 177.300 -0.025 0.000 1.230 504 P CA 0.136 63.205 63.100 -0.052 0.000 0.788 504 P CB 0.789 32.468 31.700 -0.035 0.000 0.949 505 I N 0.223 120.780 120.570 -0.022 0.000 2.894 505 I HA 0.532 4.704 4.170 0.003 0.000 0.302 505 I C -0.516 175.597 176.117 -0.006 0.000 1.188 505 I CA -1.298 59.996 61.300 -0.010 0.000 1.014 505 I CB 1.874 39.870 38.000 -0.008 0.000 1.242 505 I HN 0.397 nan 8.210 nan 0.000 0.430 506 A N 5.593 128.410 122.820 -0.004 0.000 2.569 506 A HA 0.711 5.033 4.320 0.003 0.000 0.282 506 A C -1.301 176.286 177.584 0.004 0.000 1.165 506 A CA -0.355 51.684 52.037 0.005 0.000 0.747 506 A CB 0.561 19.564 19.000 0.005 0.000 1.215 506 A HN 0.451 nan 8.150 nan 0.000 0.431 507 L N 1.916 123.144 121.223 0.008 0.000 2.350 507 L HA 0.746 5.088 4.340 0.003 0.000 0.275 507 L C 1.032 177.935 176.870 0.056 0.000 1.099 507 L CA 0.743 55.583 54.840 -0.000 0.000 0.808 507 L CB 1.564 43.607 42.059 -0.026 0.000 1.149 507 L HN 0.778 nan 8.230 nan 0.000 0.442 508 G N 1.022 109.862 108.800 0.066 0.000 3.222 508 G HA2 0.789 4.751 3.960 0.003 0.000 0.263 508 G HA3 0.789 4.751 3.960 0.003 0.000 0.263 508 G C -1.335 173.640 174.900 0.125 0.000 1.312 508 G CA -0.180 45.007 45.100 0.145 0.000 0.934 508 G HN 0.654 nan 8.290 nan 0.000 0.577 509 V N -2.134 117.896 119.914 0.193 0.000 3.049 509 V HA 0.875 4.997 4.120 0.003 0.000 0.309 509 V C -0.911 175.274 176.094 0.152 0.000 1.148 509 V CA -0.807 61.573 62.300 0.134 0.000 0.990 509 V CB 1.326 33.200 31.823 0.085 0.000 1.039 509 V HN 1.177 nan 8.190 nan 0.000 0.430 510 Q N 1.462 121.325 119.800 0.105 0.000 2.458 510 Q HA 0.771 5.113 4.340 0.003 0.000 0.282 510 Q C 0.412 176.421 176.000 0.015 0.000 1.106 510 Q CA -0.552 55.308 55.803 0.095 0.000 0.814 510 Q CB 1.958 30.781 28.738 0.141 0.000 1.425 510 Q HN 2.455 nan 8.270 nan 0.000 0.437 511 G N 0.596 109.406 108.800 0.017 0.000 2.137 511 G HA2 -0.250 3.712 3.960 0.003 0.000 0.237 511 G HA3 -0.250 3.712 3.960 0.003 0.000 0.237 511 G C 0.260 175.070 174.900 -0.150 0.000 1.002 511 G CA 0.284 45.331 45.100 -0.089 0.000 0.702 511 G HN 0.598 nan 8.290 nan 0.000 0.515 512 L N -0.260 120.892 121.223 -0.118 0.000 2.046 512 L HA 0.005 4.347 4.340 0.003 0.000 0.208 512 L C 3.025 179.628 176.870 -0.445 0.000 1.077 512 L CA 2.700 57.348 54.840 -0.320 0.000 0.747 512 L CB -0.665 41.310 42.059 -0.139 0.000 0.896 512 L HN 0.532 nan 8.230 nan 0.000 0.432 513 A N -0.282 122.513 122.820 -0.041 0.000 1.969 513 A HA -0.232 4.090 4.320 0.003 0.000 0.218 513 A C 1.650 179.294 177.584 0.101 0.000 1.169 513 A CA 1.854 53.989 52.037 0.162 0.000 0.635 513 A CB -0.507 18.632 19.000 0.231 0.000 0.810 513 A HN 0.523 nan 8.150 nan 0.000 0.445 514 D N -0.686 119.741 120.400 0.046 0.000 2.097 514 D HA -0.072 4.571 4.640 0.003 0.000 0.197 514 D C 1.914 178.116 176.300 -0.163 0.000 0.984 514 D CA 1.738 55.745 54.000 0.013 0.000 0.826 514 D CB -0.614 40.260 40.800 0.124 0.000 0.973 514 D HN 0.339 nan 8.370 nan 0.000 0.460 515 T N 0.570 115.009 114.554 -0.190 0.000 2.684 515 T HA -0.140 4.212 4.350 0.003 0.000 0.267 515 T C 1.501 176.180 174.700 -0.035 0.000 1.036 515 T CA 0.818 62.825 62.100 -0.155 0.000 1.148 515 T CB -0.387 68.354 68.868 -0.212 0.000 0.863 515 T HN 0.035 nan 8.240 nan 0.000 0.436 516 F N 1.177 121.081 119.950 -0.077 0.000 2.134 516 F HA 0.057 4.586 4.527 0.003 0.000 0.299 516 F C 2.355 178.098 175.800 -0.095 0.000 1.097 516 F CA 0.473 58.420 58.000 -0.087 0.000 1.264 516 F CB -1.068 37.891 39.000 -0.068 0.000 1.001 516 F HN 0.166 nan 8.300 nan 0.000 0.479 517 M N -1.210 118.436 119.600 0.076 0.000 2.229 517 M HA -0.166 4.316 4.480 0.003 0.000 0.264 517 M C 1.921 178.120 176.300 -0.168 0.000 1.063 517 M CA 0.991 56.260 55.300 -0.051 0.000 1.114 517 M CB -0.389 32.207 32.600 -0.007 0.000 1.387 517 M HN 0.062 nan 8.290 nan 0.000 0.420 518 L N -0.259 120.822 121.223 -0.236 0.000 2.240 518 L HA -0.029 4.313 4.340 0.003 0.000 0.211 518 L C 1.781 178.615 176.870 -0.060 0.000 1.106 518 L CA 1.574 56.301 54.840 -0.187 0.000 0.793 518 L CB -0.448 41.498 42.059 -0.188 0.000 0.927 518 L HN 0.290 nan 8.230 nan 0.000 0.446 519 L N -0.826 120.386 121.223 -0.018 0.000 2.607 519 L HA 0.149 4.491 4.340 0.003 0.000 0.228 519 L C 0.428 177.292 176.870 -0.010 0.000 1.123 519 L CA -0.142 54.704 54.840 0.010 0.000 0.890 519 L CB -0.089 41.999 42.059 0.048 0.000 1.103 519 L HN 0.220 nan 8.230 nan 0.000 0.468 520 R N 0.182 120.664 120.500 -0.030 0.000 3.422 520 R HA -0.162 4.180 4.340 0.003 0.000 0.267 520 R C -0.644 175.613 176.300 -0.072 0.000 1.074 520 R CA 0.466 56.529 56.100 -0.061 0.000 0.718 520 R CB -2.688 27.585 30.300 -0.046 0.000 1.157 520 R HN 0.338 nan 8.270 nan 0.000 0.440 521 L N 1.025 122.210 121.223 -0.062 0.000 2.265 521 L HA 0.437 4.780 4.340 0.003 0.000 0.289 521 L C -1.943 174.842 176.870 -0.142 0.000 1.033 521 L CA -2.362 52.398 54.840 -0.133 0.000 0.814 521 L CB 1.089 43.013 42.059 -0.225 0.000 1.203 521 L HN -0.287 nan 8.230 nan 0.000 0.423 522 P HA -0.031 nan 4.420 nan 0.000 0.267 522 P C 0.519 177.755 177.300 -0.106 0.000 1.200 522 P CA -0.004 63.056 63.100 -0.066 0.000 0.772 522 P CB 0.545 32.213 31.700 -0.053 0.000 0.855 523 F N 2.736 122.632 119.950 -0.090 0.000 2.126 523 F HA -0.248 4.280 4.527 0.003 0.000 0.299 523 F C 1.482 177.196 175.800 -0.143 0.000 1.096 523 F CA 2.253 60.214 58.000 -0.066 0.000 1.255 523 F CB -0.318 38.755 39.000 0.121 0.000 0.997 523 F HN 0.370 nan 8.300 nan 0.000 0.479 524 D N -0.948 119.525 120.400 0.121 0.000 2.336 524 D HA 0.043 4.685 4.640 0.003 0.000 0.229 524 D C 0.846 177.118 176.300 -0.047 0.000 1.061 524 D CA 0.428 54.463 54.000 0.059 0.000 0.875 524 D CB -0.553 40.297 40.800 0.082 0.000 0.904 524 D HN 0.192 nan 8.370 nan 0.000 0.525 525 S N -0.330 115.289 115.700 -0.135 0.000 2.632 525 S HA 0.141 4.613 4.470 0.003 0.000 0.267 525 S C 1.170 175.674 174.600 -0.161 0.000 1.276 525 S CA -0.678 57.439 58.200 -0.139 0.000 0.998 525 S CB 1.810 64.914 63.200 -0.159 0.000 0.953 525 S HN 0.017 nan 8.310 nan 0.000 0.547 526 E N 0.612 120.744 120.200 -0.112 0.000 2.274 526 E HA -0.077 4.276 4.350 0.003 0.000 0.194 526 E C 1.336 177.862 176.600 -0.124 0.000 0.996 526 E CA 1.388 57.731 56.400 -0.096 0.000 0.840 526 E CB -0.260 29.407 29.700 -0.055 0.000 0.772 526 E HN 0.785 nan 8.360 nan 0.000 0.491 527 E N -0.218 119.889 120.200 -0.155 0.000 2.122 527 E HA 0.150 4.502 4.350 0.003 0.000 0.190 527 E C 1.909 178.350 176.600 -0.265 0.000 0.977 527 E CA 1.030 57.335 56.400 -0.159 0.000 0.820 527 E CB -0.326 29.300 29.700 -0.123 0.000 0.770 527 E HN 0.339 nan 8.360 nan 0.000 0.462 528 A N 1.412 123.953 122.820 -0.465 0.000 1.908 528 A HA -0.249 4.073 4.320 0.003 0.000 0.218 528 A C 2.152 179.418 177.584 -0.531 0.000 1.181 528 A CA 1.888 53.365 52.037 -0.934 0.000 0.627 528 A CB -0.516 17.641 19.000 -1.405 0.000 0.818 528 A HN 0.151 nan 8.150 nan 0.000 0.445 529 R N -0.937 119.368 120.500 -0.325 0.000 2.081 529 R HA -0.122 4.220 4.340 0.003 0.000 0.235 529 R C 1.975 178.198 176.300 -0.129 0.000 1.131 529 R CA 1.572 57.570 56.100 -0.170 0.000 0.960 529 R CB -0.338 29.896 30.300 -0.109 0.000 0.856 529 R HN 0.401 nan 8.270 nan 0.000 0.436 530 L N 1.128 122.265 121.223 -0.143 0.000 2.027 530 L HA -0.120 4.222 4.340 0.003 0.000 0.206 530 L C 2.214 178.982 176.870 -0.170 0.000 1.074 530 L CA 1.416 56.161 54.840 -0.157 0.000 0.745 530 L CB -1.115 40.875 42.059 -0.114 0.000 0.898 530 L HN 0.308 nan 8.230 nan 0.000 0.433 531 L N 0.269 121.431 121.223 -0.101 0.000 2.046 531 L HA -0.219 4.123 4.340 0.003 0.000 0.208 531 L C 2.254 179.139 176.870 0.025 0.000 1.077 531 L CA 2.007 56.838 54.840 -0.016 0.000 0.747 531 L CB -0.972 41.109 42.059 0.038 0.000 0.896 531 L HN 0.430 nan 8.230 nan 0.000 0.432 532 N N 0.029 118.790 118.700 0.103 0.000 2.037 532 N HA -0.276 4.466 4.740 0.003 0.000 0.196 532 N C 1.827 177.453 175.510 0.193 0.000 1.034 532 N CA 2.688 55.858 53.050 0.200 0.000 0.861 532 N CB -0.376 38.222 38.487 0.185 0.000 1.039 532 N HN 0.514 nan 8.380 nan 0.000 0.427 533 I N 0.086 120.678 120.570 0.036 0.000 2.163 533 I HA -0.329 3.843 4.170 0.003 0.000 0.243 533 I C 2.313 178.366 176.117 -0.107 0.000 1.085 533 I CA 1.463 62.767 61.300 0.007 0.000 1.347 533 I CB -0.557 37.364 38.000 -0.131 0.000 1.044 533 I HN 0.405 nan 8.210 nan 0.000 0.408 534 Q N 0.630 120.276 119.800 -0.256 0.000 2.079 534 Q HA -0.150 4.192 4.340 0.003 0.000 0.200 534 Q C 2.390 178.348 176.000 -0.069 0.000 0.974 534 Q CA 1.393 57.009 55.803 -0.313 0.000 0.840 534 Q CB -0.110 28.335 28.738 -0.487 0.000 0.898 534 Q HN 0.536 nan 8.270 nan 0.000 0.430 535 I N 0.013 120.591 120.570 0.014 0.000 2.163 535 I HA -0.277 3.895 4.170 0.003 0.000 0.243 535 I C 1.817 177.817 176.117 -0.196 0.000 1.085 535 I CA 1.418 62.681 61.300 -0.061 0.000 1.347 535 I CB -0.243 37.580 38.000 -0.296 0.000 1.044 535 I HN 0.135 nan 8.210 nan 0.000 0.408 536 F N 0.594 120.511 119.950 -0.055 0.000 2.367 536 F HA -0.115 4.415 4.527 0.004 0.000 0.298 536 F C 2.556 178.282 175.800 -0.123 0.000 1.094 536 F CA 1.046 59.018 58.000 -0.046 0.000 1.409 536 F CB -0.349 38.655 39.000 0.007 0.000 1.064 536 F HN 0.088 nan 8.300 nan 0.000 0.528 537 E N 0.036 120.091 120.200 -0.241 0.000 2.106 537 E HA -0.216 4.136 4.350 0.003 0.000 0.192 537 E C 2.268 178.893 176.600 0.042 0.000 0.984 537 E CA 1.697 57.891 56.400 -0.342 0.000 0.806 537 E CB -0.055 29.407 29.700 -0.396 0.000 0.750 537 E HN 0.407 nan 8.360 nan 0.000 0.458 538 T N -0.897 113.643 114.554 -0.024 0.000 2.896 538 T HA -0.022 4.330 4.350 0.003 0.000 0.263 538 T C 2.004 176.536 174.700 -0.281 0.000 1.050 538 T CA 0.769 62.690 62.100 -0.298 0.000 1.140 538 T CB -0.315 68.618 68.868 0.108 0.000 0.877 538 T HN 0.157 nan 8.240 nan 0.000 0.457 539 I N -0.178 120.308 120.570 -0.140 0.000 2.226 539 I HA -0.073 4.099 4.170 0.003 0.000 0.245 539 I C 2.474 178.596 176.117 0.007 0.000 1.100 539 I CA 1.592 62.812 61.300 -0.133 0.000 1.374 539 I CB -0.545 37.375 38.000 -0.133 0.000 1.057 539 I HN 0.234 nan 8.210 nan 0.000 0.413 540 Y N 1.154 121.477 120.300 0.038 0.000 2.220 540 Y HA -0.262 4.290 4.550 0.004 0.000 0.291 540 Y C 2.791 178.793 175.900 0.170 0.000 1.129 540 Y CA 1.645 59.856 58.100 0.185 0.000 1.161 540 Y CB -0.821 37.880 38.460 0.403 0.000 0.997 540 Y HN 0.200 nan 8.280 nan 0.000 0.522 541 H N 0.093 119.096 119.070 -0.110 0.000 2.270 541 H HA -0.149 4.410 4.556 0.003 0.000 0.299 541 H C 2.158 177.166 175.328 -0.532 0.000 1.077 541 H CA 1.783 57.477 56.048 -0.590 0.000 1.294 541 H CB -0.421 28.747 29.762 -0.990 0.000 1.371 541 H HN 0.398 nan 8.280 nan 0.000 0.491 542 A N 0.622 123.081 122.820 -0.601 0.000 1.917 542 A HA -0.240 4.082 4.320 0.003 0.000 0.219 542 A C 2.850 180.140 177.584 -0.490 0.000 1.182 542 A CA 2.783 54.262 52.037 -0.929 0.000 0.633 542 A CB -0.939 17.279 19.000 -1.304 0.000 0.819 542 A HN 0.709 nan 8.150 nan 0.000 0.448 543 S N -1.075 114.439 115.700 -0.311 0.000 2.371 543 S HA -0.109 4.363 4.470 0.003 0.000 0.224 543 S C 1.967 176.476 174.600 -0.151 0.000 1.029 543 S CA 1.561 59.658 58.200 -0.171 0.000 0.978 543 S CB -0.447 62.727 63.200 -0.043 0.000 0.833 543 S HN 0.364 nan 8.310 nan 0.000 0.466 544 M N 1.671 121.157 119.600 -0.190 0.000 2.213 544 M HA -0.001 4.481 4.480 0.003 0.000 0.263 544 M C 2.351 178.522 176.300 -0.215 0.000 1.062 544 M CA 1.633 56.827 55.300 -0.177 0.000 1.105 544 M CB -1.226 31.221 32.600 -0.255 0.000 1.385 544 M HN 0.645 nan 8.290 nan 0.000 0.417 545 E N 0.368 120.368 120.200 -0.333 0.000 2.046 545 E HA -0.113 4.239 4.350 0.003 0.000 0.190 545 E C 2.038 178.534 176.600 -0.172 0.000 0.982 545 E CA 1.243 57.475 56.400 -0.281 0.000 0.800 545 E CB 0.046 29.551 29.700 -0.325 0.000 0.756 545 E HN 0.386 nan 8.360 nan 0.000 0.449 546 A N 0.535 123.250 122.820 -0.175 0.000 1.908 546 A HA -0.217 4.105 4.320 0.003 0.000 0.218 546 A C 2.364 179.897 177.584 -0.086 0.000 1.181 546 A CA 2.045 54.009 52.037 -0.120 0.000 0.627 546 A CB -0.912 18.012 19.000 -0.128 0.000 0.818 546 A HN 0.354 nan 8.150 nan 0.000 0.445 547 S N -1.687 113.964 115.700 -0.081 0.000 2.387 547 S HA -0.164 4.308 4.470 0.003 0.000 0.226 547 S C 2.030 176.606 174.600 -0.040 0.000 1.026 547 S CA 1.272 59.448 58.200 -0.040 0.000 0.972 547 S CB -0.844 62.348 63.200 -0.013 0.000 0.814 547 S HN 0.720 nan 8.310 nan 0.000 0.477 548 C N 1.744 121.008 119.300 -0.060 0.000 2.429 548 C HA -0.016 4.446 4.460 0.003 0.000 0.277 548 C C 2.442 177.378 174.990 -0.090 0.000 1.262 548 C CA 1.457 60.436 59.018 -0.065 0.000 1.733 548 C CB -1.548 26.154 27.740 -0.063 0.000 2.010 548 C HN 0.705 nan 8.230 nan 0.000 0.483 549 E N 0.165 120.308 120.200 -0.095 0.000 2.118 549 E HA -0.216 4.136 4.350 0.003 0.000 0.195 549 E C 2.039 178.593 176.600 -0.077 0.000 0.992 549 E CA 1.414 57.755 56.400 -0.099 0.000 0.804 549 E CB -0.222 29.429 29.700 -0.081 0.000 0.741 549 E HN 0.665 nan 8.360 nan 0.000 0.458 550 L N 0.288 121.479 121.223 -0.054 0.000 2.093 550 L HA -0.117 4.225 4.340 0.003 0.000 0.208 550 L C 2.460 179.310 176.870 -0.032 0.000 1.085 550 L CA 0.876 55.697 54.840 -0.031 0.000 0.755 550 L CB -0.277 41.774 42.059 -0.013 0.000 0.904 550 L HN 0.133 nan 8.230 nan 0.000 0.435 551 A N -0.832 121.960 122.820 -0.045 0.000 2.067 551 A HA -0.201 4.121 4.320 0.003 0.000 0.219 551 A C 2.187 179.741 177.584 -0.051 0.000 1.158 551 A CA 1.152 53.154 52.037 -0.059 0.000 0.661 551 A CB -0.306 18.627 19.000 -0.112 0.000 0.801 551 A HN 0.464 nan 8.150 nan 0.000 0.452 552 Q N -0.504 119.255 119.800 -0.069 0.000 2.172 552 Q HA -0.090 4.252 4.340 0.003 0.000 0.200 552 Q C 1.876 177.851 176.000 -0.042 0.000 0.964 552 Q CA 1.372 57.127 55.803 -0.080 0.000 0.855 552 Q CB -0.055 28.556 28.738 -0.211 0.000 0.918 552 Q HN 0.625 nan 8.270 nan 0.000 0.444 553 K N -0.032 120.345 120.400 -0.038 0.000 2.137 553 K HA -0.050 4.272 4.320 0.003 0.000 0.202 553 K C 0.607 177.202 176.600 -0.008 0.000 1.052 553 K CA 1.015 57.290 56.287 -0.020 0.000 0.961 553 K CB 0.427 32.917 32.500 -0.016 0.000 0.741 553 K HN 0.127 nan 8.250 nan 0.000 0.452 554 D N -0.799 119.596 120.400 -0.008 0.000 2.520 554 D HA 0.137 4.779 4.640 0.003 0.000 0.223 554 D C 0.315 176.613 176.300 -0.004 0.000 1.186 554 D CA 0.272 54.273 54.000 0.001 0.000 0.821 554 D CB 1.323 42.130 40.800 0.011 0.000 1.072 554 D HN 0.254 nan 8.370 nan 0.000 0.518 555 G N 2.360 111.149 108.800 -0.019 0.000 2.712 555 G HA2 -0.165 3.797 3.960 0.003 0.000 0.686 555 G HA3 -0.165 3.797 3.960 0.003 0.000 0.686 555 G C -2.978 171.885 174.900 -0.062 0.000 1.321 555 G CA -1.133 43.943 45.100 -0.040 0.000 0.813 555 G HN -0.085 nan 8.290 nan 0.000 0.599 556 P HA 0.422 nan 4.420 nan 0.000 0.274 556 P C 0.123 177.393 177.300 -0.050 0.000 1.256 556 P CA -0.391 62.592 63.100 -0.196 0.000 0.795 556 P CB 0.154 31.536 31.700 -0.530 0.000 1.038 557 Y N -1.690 118.620 120.300 0.018 0.000 2.457 557 Y HA 0.152 4.704 4.550 0.003 0.000 0.341 557 Y C 1.852 177.806 175.900 0.091 0.000 1.240 557 Y CA -0.346 57.789 58.100 0.059 0.000 1.437 557 Y CB -0.110 38.406 38.460 0.094 0.000 1.328 557 Y HN 0.474 nan 8.280 nan 0.000 0.588 558 E N 0.474 120.722 120.200 0.080 0.000 2.187 558 E HA -0.212 4.140 4.350 0.003 0.000 0.199 558 E C 1.000 177.579 176.600 -0.035 0.000 1.004 558 E CA 2.058 58.459 56.400 0.001 0.000 0.813 558 E CB -0.051 29.650 29.700 0.001 0.000 0.736 558 E HN 0.896 nan 8.360 nan 0.000 0.468 559 T N -2.393 112.151 114.554 -0.016 0.000 3.215 559 T HA 0.095 4.448 4.350 0.003 0.000 0.271 559 T C 0.916 175.517 174.700 -0.164 0.000 1.012 559 T CA -0.528 61.593 62.100 0.034 0.000 0.899 559 T CB -0.257 68.797 68.868 0.310 0.000 1.089 559 T HN 0.169 nan 8.240 nan 0.000 0.552 560 F N 2.059 121.527 119.950 -0.804 0.000 2.126 560 F HA 0.073 4.602 4.527 0.004 0.000 0.299 560 F C 1.159 176.817 175.800 -0.237 0.000 1.096 560 F CA 0.750 58.297 58.000 -0.755 0.000 1.255 560 F CB -0.106 38.420 39.000 -0.790 0.000 0.997 560 F HN 0.214 nan 8.300 nan 0.000 0.479 561 Q N 0.356 120.049 119.800 -0.178 0.000 2.274 561 Q HA 0.276 4.618 4.340 0.003 0.000 0.280 561 Q C 0.851 176.729 176.000 -0.203 0.000 1.047 561 Q CA 0.856 56.544 55.803 -0.193 0.000 0.907 561 Q CB 0.213 28.931 28.738 -0.034 0.000 1.171 561 Q HN 0.707 nan 8.270 nan 0.000 0.381 562 G N 2.400 111.058 108.800 -0.236 0.000 2.179 562 G HA2 -0.271 3.691 3.960 0.003 0.000 0.220 562 G HA3 -0.271 3.691 3.960 0.003 0.000 0.220 562 G C 0.020 174.823 174.900 -0.163 0.000 0.990 562 G CA 0.185 45.192 45.100 -0.155 0.000 0.646 562 G HN 0.841 nan 8.290 nan 0.000 0.517 563 S N 0.202 115.754 115.700 -0.247 0.000 2.652 563 S HA 0.696 5.168 4.470 0.003 0.000 0.270 563 S C -0.784 173.717 174.600 -0.165 0.000 1.243 563 S CA -0.599 57.499 58.200 -0.170 0.000 0.999 563 S CB 2.423 65.552 63.200 -0.118 0.000 0.973 563 S HN -0.053 nan 8.310 nan 0.000 0.544 564 P HA -0.165 nan 4.420 nan 0.000 0.216 564 P C 1.595 178.854 177.300 -0.069 0.000 1.157 564 P CA 2.327 65.387 63.100 -0.067 0.000 0.880 564 P CB -0.287 31.390 31.700 -0.039 0.000 0.791 565 A N -0.134 122.655 122.820 -0.052 0.000 1.933 565 A HA -0.189 4.133 4.320 0.003 0.000 0.218 565 A C 2.362 179.915 177.584 -0.052 0.000 1.175 565 A CA 2.246 54.292 52.037 0.014 0.000 0.628 565 A CB -1.671 17.424 19.000 0.158 0.000 0.814 565 A HN 0.352 nan 8.150 nan 0.000 0.444 566 S N -0.247 115.220 115.700 -0.389 0.000 2.442 566 S HA -0.187 4.285 4.470 0.003 0.000 0.236 566 S C 1.529 176.058 174.600 -0.118 0.000 1.007 566 S CA 1.326 59.251 58.200 -0.459 0.000 0.965 566 S CB -0.379 62.282 63.200 -0.899 0.000 0.773 566 S HN 0.656 nan 8.310 nan 0.000 0.504 567 Q N 0.592 120.334 119.800 -0.097 0.000 2.425 567 Q HA 0.273 4.615 4.340 0.003 0.000 0.204 567 Q C 1.471 177.475 176.000 0.006 0.000 0.933 567 Q CA 0.621 56.402 55.803 -0.036 0.000 0.939 567 Q CB -0.174 28.538 28.738 -0.044 0.000 1.044 567 Q HN 0.811 nan 8.270 nan 0.000 0.513 568 G N 1.759 110.574 108.800 0.026 0.000 2.136 568 G HA2 -0.251 3.711 3.960 0.003 0.000 0.242 568 G HA3 -0.251 3.711 3.960 0.003 0.000 0.242 568 G C 0.086 174.999 174.900 0.022 0.000 0.989 568 G CA -0.101 45.032 45.100 0.055 0.000 0.682 568 G HN 0.339 nan 8.290 nan 0.000 0.522 569 I N 1.111 121.675 120.570 -0.010 0.000 2.416 569 I HA 0.452 4.624 4.170 0.003 0.000 0.288 569 I C 1.021 177.091 176.117 -0.079 0.000 1.051 569 I CA -0.377 60.895 61.300 -0.048 0.000 1.375 569 I CB 0.720 38.693 38.000 -0.044 0.000 1.407 569 I HN 0.020 nan 8.210 nan 0.000 0.516 570 L N 4.519 125.616 121.223 -0.211 0.000 2.267 570 L HA 0.338 4.680 4.340 0.003 0.000 0.264 570 L C 1.085 177.752 176.870 -0.339 0.000 1.021 570 L CA -0.704 53.976 54.840 -0.266 0.000 0.861 570 L CB 0.734 42.516 42.059 -0.462 0.000 1.443 570 L HN 0.414 nan 8.230 nan 0.000 0.475 571 Q N 0.817 120.486 119.800 -0.218 0.000 2.002 571 Q HA -0.212 4.130 4.340 0.003 0.000 0.204 571 Q C 1.769 177.712 176.000 -0.095 0.000 0.988 571 Q CA 2.541 58.259 55.803 -0.141 0.000 0.843 571 Q CB -0.459 28.130 28.738 -0.250 0.000 0.908 571 Q HN 0.564 nan 8.270 nan 0.000 0.420 572 F N -0.448 119.464 119.950 -0.063 0.000 2.202 572 F HA -0.100 4.429 4.527 0.003 0.000 0.301 572 F C 1.534 177.333 175.800 -0.001 0.000 1.082 572 F CA 1.176 59.074 58.000 -0.171 0.000 1.313 572 F CB -0.798 37.984 39.000 -0.363 0.000 1.024 572 F HN 0.023 nan 8.300 nan 0.000 0.495 573 D N 1.440 121.764 120.400 -0.126 0.000 2.123 573 D HA -0.175 4.467 4.640 0.003 0.000 0.196 573 D C 2.204 178.530 176.300 0.043 0.000 0.992 573 D CA 1.853 55.865 54.000 0.020 0.000 0.833 573 D CB -0.425 40.321 40.800 -0.090 0.000 0.954 573 D HN 0.448 nan 8.370 nan 0.000 0.455 574 M N -1.354 118.261 119.600 0.024 0.000 2.476 574 M HA -0.065 4.418 4.480 0.003 0.000 0.262 574 M C 1.042 177.325 176.300 -0.029 0.000 1.079 574 M CA 0.710 56.003 55.300 -0.012 0.000 1.104 574 M CB -0.178 32.389 32.600 -0.055 0.000 1.409 574 M HN 0.045 nan 8.290 nan 0.000 0.467 575 W N 0.818 122.059 121.300 -0.098 0.000 3.353 575 W HA 0.120 4.782 4.660 0.004 0.000 0.304 575 W C -0.115 176.361 176.519 -0.072 0.000 1.273 575 W CA -0.426 56.861 57.345 -0.097 0.000 1.773 575 W CB -0.361 29.026 29.460 -0.121 0.000 1.095 575 W HN 0.215 nan 8.180 nan 0.000 0.676 576 D N 1.251 121.728 120.400 0.129 0.000 2.735 576 D HA -0.213 4.429 4.640 0.003 0.000 0.235 576 D C -0.164 176.190 176.300 0.090 0.000 1.175 576 D CA 1.090 55.138 54.000 0.079 0.000 0.683 576 D CB -1.286 39.529 40.800 0.025 0.000 1.008 576 D HN 0.340 nan 8.370 nan 0.000 0.416 577 Q N -0.531 119.342 119.800 0.123 0.000 2.421 577 Q HA 0.377 4.719 4.340 0.003 0.000 0.280 577 Q C -0.103 175.938 176.000 0.070 0.000 1.085 577 Q CA -1.064 54.780 55.803 0.068 0.000 0.807 577 Q CB 2.183 30.931 28.738 0.016 0.000 1.405 577 Q HN -0.156 nan 8.270 nan 0.000 0.419 578 K N 2.278 122.670 120.400 -0.014 0.000 2.218 578 K HA 0.359 4.681 4.320 0.003 0.000 0.276 578 K C -2.171 174.269 176.600 -0.268 0.000 1.022 578 K CA -1.574 54.660 56.287 -0.089 0.000 0.946 578 K CB 0.245 32.711 32.500 -0.057 0.000 1.000 578 K HN 0.445 nan 8.250 nan 0.000 0.468 579 P HA -0.011 nan 4.420 nan 0.000 0.274 579 P C 0.472 177.698 177.300 -0.124 0.000 1.260 579 P CA -0.169 62.520 63.100 -0.685 0.000 0.793 579 P CB 0.385 31.259 31.700 -1.376 0.000 1.048 580 Y N 0.419 120.707 120.300 -0.020 0.000 2.373 580 Y HA 0.071 4.623 4.550 0.003 0.000 0.293 580 Y C 1.679 177.577 175.900 -0.002 0.000 1.129 580 Y CA 1.960 60.065 58.100 0.009 0.000 1.226 580 Y CB -0.438 38.044 38.460 0.037 0.000 1.000 580 Y HN 0.666 nan 8.280 nan 0.000 0.549 581 G N 0.211 109.038 108.800 0.044 0.000 2.176 581 G HA2 -0.352 3.610 3.960 0.003 0.000 0.232 581 G HA3 -0.352 3.610 3.960 0.003 0.000 0.232 581 G C 1.056 175.902 174.900 -0.089 0.000 0.986 581 G CA 0.357 45.433 45.100 -0.040 0.000 0.643 581 G HN 0.474 nan 8.290 nan 0.000 0.522 582 M N -0.946 118.660 119.600 0.009 0.000 2.374 582 M HA 0.246 4.728 4.480 0.003 0.000 0.264 582 M C 0.538 176.477 176.300 -0.602 0.000 1.067 582 M CA 1.245 56.395 55.300 -0.249 0.000 1.103 582 M CB -0.014 32.470 32.600 -0.192 0.000 1.402 582 M HN 0.332 nan 8.290 nan 0.000 0.444 583 W N -0.462 120.673 121.300 -0.274 0.000 2.902 583 W HA 0.320 4.982 4.660 0.003 0.000 0.346 583 W C -0.788 175.411 176.519 -0.533 0.000 1.139 583 W CA -0.871 56.110 57.345 -0.607 0.000 1.139 583 W CB 0.436 29.169 29.460 -1.212 0.000 1.439 583 W HN -0.146 nan 8.180 nan 0.000 0.558 584 D N 0.690 120.949 120.400 -0.235 0.000 2.374 584 D HA 0.087 4.729 4.640 0.003 0.000 0.240 584 D C 0.043 176.366 176.300 0.037 0.000 1.229 584 D CA -0.114 53.858 54.000 -0.046 0.000 0.895 584 D CB 0.326 41.127 40.800 0.001 0.000 1.046 584 D HN 0.360 nan 8.370 nan 0.000 0.498 585 W N 2.018 123.453 121.300 0.224 0.000 2.658 585 W HA 0.036 4.698 4.660 0.004 0.000 0.263 585 W C 1.714 178.361 176.519 0.212 0.000 1.274 585 W CA -0.275 57.242 57.345 0.287 0.000 1.343 585 W CB 0.395 30.047 29.460 0.320 0.000 1.106 585 W HN 0.344 nan 8.180 nan 0.000 0.615 586 D N -0.393 120.216 120.400 0.348 0.000 2.097 586 D HA -0.133 4.509 4.640 0.003 0.000 0.197 586 D C 2.036 178.444 176.300 0.180 0.000 0.984 586 D CA 1.869 56.012 54.000 0.237 0.000 0.826 586 D CB -0.733 40.168 40.800 0.168 0.000 0.973 586 D HN 0.026 nan 8.370 nan 0.000 0.460 587 T N 1.584 116.228 114.554 0.149 0.000 2.737 587 T HA -0.129 4.223 4.350 0.003 0.000 0.265 587 T C 1.905 176.670 174.700 0.108 0.000 1.038 587 T CA 0.475 62.641 62.100 0.110 0.000 1.144 587 T CB -0.351 68.568 68.868 0.085 0.000 0.866 587 T HN 0.012 nan 8.240 nan 0.000 0.434 588 L N 1.698 122.988 121.223 0.112 0.000 1.989 588 L HA -0.024 4.318 4.340 0.003 0.000 0.211 588 L C 2.470 179.405 176.870 0.108 0.000 1.071 588 L CA 1.820 56.688 54.840 0.047 0.000 0.749 588 L CB -0.748 41.266 42.059 -0.075 0.000 0.890 588 L HN 0.082 nan 8.230 nan 0.000 0.431 589 R N -0.479 120.136 120.500 0.191 0.000 2.127 589 R HA -0.221 4.121 4.340 0.003 0.000 0.238 589 R C 2.432 178.820 176.300 0.146 0.000 1.134 589 R CA 1.762 57.975 56.100 0.189 0.000 0.975 589 R CB -0.193 30.245 30.300 0.229 0.000 0.865 589 R HN 0.458 nan 8.270 nan 0.000 0.447 590 K N 0.187 120.666 120.400 0.132 0.000 2.025 590 K HA -0.146 4.176 4.320 0.003 0.000 0.207 590 K C 1.187 177.858 176.600 0.118 0.000 1.049 590 K CA 1.950 58.303 56.287 0.110 0.000 0.933 590 K CB 0.011 32.569 32.500 0.098 0.000 0.714 590 K HN 0.152 nan 8.250 nan 0.000 0.438 591 D N 0.775 121.252 120.400 0.129 0.000 2.178 591 D HA -0.111 4.531 4.640 0.003 0.000 0.202 591 D C 1.968 178.379 176.300 0.186 0.000 0.974 591 D CA 0.851 54.964 54.000 0.187 0.000 0.841 591 D CB -0.085 40.786 40.800 0.119 0.000 0.953 591 D HN 0.304 nan 8.370 nan 0.000 0.478 592 I N 0.517 121.170 120.570 0.138 0.000 2.226 592 I HA -0.241 3.931 4.170 0.003 0.000 0.245 592 I C 2.389 178.638 176.117 0.220 0.000 1.100 592 I CA 0.931 62.325 61.300 0.157 0.000 1.374 592 I CB -0.130 37.977 38.000 0.177 0.000 1.057 592 I HN -0.062 nan 8.210 nan 0.000 0.413 593 M N -0.132 119.582 119.600 0.191 0.000 2.229 593 M HA -0.190 4.292 4.480 0.003 0.000 0.264 593 M C 2.223 178.589 176.300 0.110 0.000 1.063 593 M CA 1.483 56.892 55.300 0.182 0.000 1.114 593 M CB -0.231 32.439 32.600 0.117 0.000 1.387 593 M HN 0.014 nan 8.290 nan 0.000 0.420 594 K N -0.175 120.249 120.400 0.040 0.000 2.098 594 K HA -0.067 4.255 4.320 0.003 0.000 0.203 594 K C 1.162 177.570 176.600 -0.320 0.000 1.051 594 K CA 1.546 57.743 56.287 -0.150 0.000 0.957 594 K CB 0.090 32.470 32.500 -0.200 0.000 0.738 594 K HN 0.366 nan 8.250 nan 0.000 0.447 595 H N -1.557 117.491 119.070 -0.035 0.000 2.885 595 H HA 0.386 4.944 4.556 0.003 0.000 0.260 595 H C 0.421 175.581 175.328 -0.280 0.000 0.985 595 H CA 0.230 56.212 56.048 -0.110 0.000 1.210 595 H CB 1.226 30.937 29.762 -0.085 0.000 1.466 595 H HN 0.387 nan 8.280 nan 0.000 0.493 596 G N 0.558 109.182 108.800 -0.293 0.000 2.760 596 G HA2 -0.100 3.862 3.960 0.003 0.000 0.246 596 G HA3 -0.100 3.862 3.960 0.003 0.000 0.246 596 G C -0.617 173.977 174.900 -0.509 0.000 1.359 596 G CA -0.437 44.022 45.100 -1.068 0.000 0.861 596 G HN 0.704 nan 8.290 nan 0.000 0.541 597 V N -3.260 116.361 119.914 -0.488 0.000 2.735 597 V HA 0.859 4.981 4.120 0.003 0.000 0.310 597 V C 1.235 177.402 176.094 0.121 0.000 1.061 597 V CA -0.051 62.234 62.300 -0.025 0.000 0.913 597 V CB 1.734 33.656 31.823 0.164 0.000 1.005 597 V HN 1.190 nan 8.190 nan 0.000 0.428 598 R N 2.490 123.044 120.500 0.089 0.000 2.148 598 R HA 0.111 4.453 4.340 0.003 0.000 0.227 598 R C 0.280 176.684 176.300 0.174 0.000 1.103 598 R CA 1.411 57.590 56.100 0.130 0.000 0.983 598 R CB -0.450 29.881 30.300 0.051 0.000 0.874 598 R HN 0.932 nan 8.270 nan 0.000 0.451 599 N N -1.407 117.347 118.700 0.091 0.000 2.314 599 N HA 0.102 4.844 4.740 0.003 0.000 0.294 599 N C -0.063 175.310 175.510 -0.228 0.000 1.029 599 N CA -0.001 52.995 53.050 -0.090 0.000 0.845 599 N CB 2.140 40.607 38.487 -0.033 0.000 1.321 599 N HN 0.012 nan 8.380 nan 0.000 0.481 600 S N 1.519 116.829 115.700 -0.649 0.000 2.436 600 S HA 0.138 4.610 4.470 0.003 0.000 0.228 600 S C 0.392 174.903 174.600 -0.149 0.000 1.014 600 S CA 0.473 58.315 58.200 -0.597 0.000 0.950 600 S CB -0.128 62.581 63.200 -0.819 0.000 0.784 600 S HN 0.413 nan 8.310 nan 0.000 0.504 601 L N 0.051 121.208 121.223 -0.110 0.000 2.376 601 L HA 0.545 4.887 4.340 0.003 0.000 0.258 601 L C 0.497 177.372 176.870 0.009 0.000 1.013 601 L CA -0.189 54.641 54.840 -0.017 0.000 0.822 601 L CB 2.403 44.444 42.059 -0.029 0.000 1.388 601 L HN 0.207 nan 8.230 nan 0.000 0.413 602 T N -3.703 110.883 114.554 0.053 0.000 3.092 602 T HA 0.383 4.735 4.350 0.003 0.000 0.273 602 T C 0.040 174.773 174.700 0.055 0.000 0.898 602 T CA -0.155 61.981 62.100 0.059 0.000 0.868 602 T CB 0.487 69.418 68.868 0.106 0.000 1.228 602 T HN 0.233 nan 8.240 nan 0.000 0.555 603 M N 1.918 121.544 119.600 0.044 0.000 2.151 603 M HA 0.743 5.225 4.480 0.003 0.000 0.290 603 M C -1.371 174.937 176.300 0.013 0.000 0.965 603 M CA -0.551 54.772 55.300 0.037 0.000 0.930 603 M CB 1.651 34.266 32.600 0.025 0.000 1.560 603 M HN 0.278 nan 8.290 nan 0.000 0.438 604 A N 4.687 127.529 122.820 0.036 0.000 3.158 604 A HA 0.638 4.960 4.320 0.003 0.000 0.302 604 A C -2.729 174.910 177.584 0.091 0.000 1.162 604 A CA -1.143 50.918 52.037 0.041 0.000 0.824 604 A CB 0.417 19.431 19.000 0.023 0.000 1.322 604 A HN 0.423 nan 8.150 nan 0.000 0.510 605 P HA 0.052 nan 4.420 nan 0.000 0.255 605 P C 0.215 177.725 177.300 0.351 0.000 1.173 605 P CA 0.838 64.097 63.100 0.264 0.000 0.780 605 P CB 0.208 32.020 31.700 0.186 0.000 0.758 606 M N 4.401 124.165 119.600 0.275 0.000 2.811 606 M HA 0.710 5.192 4.480 0.003 0.000 0.303 606 M C -2.952 173.443 176.300 0.157 0.000 1.227 606 M CA -2.959 52.447 55.300 0.177 0.000 0.874 606 M CB 0.379 33.035 32.600 0.094 0.000 1.681 606 M HN -0.114 nan 8.290 nan 0.000 0.500 607 P HA 0.238 nan 4.420 nan 0.000 0.271 607 P C 0.320 177.665 177.300 0.075 0.000 1.216 607 P CA 0.151 63.297 63.100 0.076 0.000 0.771 607 P CB 0.427 32.210 31.700 0.139 0.000 0.864 608 T N 0.354 114.941 114.554 0.055 0.000 3.034 608 T HA 0.341 4.693 4.350 0.003 0.000 0.248 608 T C 1.268 176.005 174.700 0.062 0.000 1.040 608 T CA 0.606 62.744 62.100 0.064 0.000 1.107 608 T CB -0.588 68.321 68.868 0.069 0.000 0.932 608 T HN 0.431 nan 8.240 nan 0.000 0.474 609 A N 2.348 125.202 122.820 0.057 0.000 5.195 609 A HA -0.346 3.976 4.320 0.003 0.000 0.339 609 A C 2.222 179.840 177.584 0.058 0.000 1.740 609 A CA 3.551 55.625 52.037 0.062 0.000 0.704 609 A CB -2.249 16.801 19.000 0.082 0.000 1.441 609 A HN 1.406 nan 8.150 nan 0.000 0.397 610 S N -0.482 115.265 115.700 0.079 0.000 2.400 610 S HA -0.159 4.313 4.470 0.003 0.000 0.232 610 S C 1.798 176.391 174.600 -0.011 0.000 1.025 610 S CA 2.718 60.966 58.200 0.080 0.000 0.993 610 S CB -1.594 61.724 63.200 0.196 0.000 0.808 610 S HN 1.928 nan 8.310 nan 0.000 0.478 611 T N 1.295 115.834 114.554 -0.025 0.000 2.867 611 T HA -0.054 4.299 4.350 0.003 0.000 0.268 611 T C 1.970 176.651 174.700 -0.032 0.000 1.057 611 T CA 1.282 63.330 62.100 -0.087 0.000 1.136 611 T CB -0.842 67.998 68.868 -0.047 0.000 0.874 611 T HN 0.652 nan 8.240 nan 0.000 0.466 612 S N 0.652 116.366 115.700 0.022 0.000 2.603 612 S HA 0.118 4.590 4.470 0.003 0.000 0.220 612 S C 1.880 176.497 174.600 0.028 0.000 0.967 612 S CA -0.136 58.101 58.200 0.061 0.000 0.920 612 S CB -0.248 63.013 63.200 0.102 0.000 0.773 612 S HN 0.536 nan 8.310 nan 0.000 0.529 613 Q N 0.577 120.380 119.800 0.005 0.000 2.250 613 Q HA 0.330 4.672 4.340 0.003 0.000 0.200 613 Q C 1.839 177.827 176.000 -0.021 0.000 0.941 613 Q CA 0.676 56.481 55.803 0.003 0.000 0.872 613 Q CB -0.239 28.511 28.738 0.020 0.000 0.965 613 Q HN 0.545 nan 8.270 nan 0.000 0.480 614 I N 0.503 121.030 120.570 -0.072 0.000 2.179 614 I HA -0.283 3.889 4.170 0.003 0.000 0.242 614 I C 1.763 177.879 176.117 -0.003 0.000 1.088 614 I CA 1.250 62.481 61.300 -0.116 0.000 1.357 614 I CB -0.062 37.782 38.000 -0.259 0.000 1.051 614 I HN 0.220 nan 8.210 nan 0.000 0.409 615 L N 0.045 121.237 121.223 -0.052 0.000 2.492 615 L HA 0.120 4.463 4.340 0.003 0.000 0.223 615 L C 1.598 178.198 176.870 -0.450 0.000 1.132 615 L CA 0.714 55.460 54.840 -0.157 0.000 0.850 615 L CB -0.483 41.525 42.059 -0.085 0.000 0.966 615 L HN 0.559 nan 8.230 nan 0.000 0.454 616 G N -0.764 107.878 108.800 -0.264 0.000 2.143 616 G HA2 -0.307 3.655 3.960 0.003 0.000 0.249 616 G HA3 -0.307 3.655 3.960 0.003 0.000 0.249 616 G C 0.050 174.807 174.900 -0.238 0.000 0.981 616 G CA 0.007 44.955 45.100 -0.253 0.000 0.665 616 G HN 0.355 nan 8.290 nan 0.000 0.528 617 Y N -0.337 119.996 120.300 0.055 0.000 2.593 617 Y HA 0.547 5.099 4.550 0.003 0.000 0.330 617 Y C 1.014 176.949 175.900 0.059 0.000 1.223 617 Y CA -1.029 57.113 58.100 0.070 0.000 1.350 617 Y CB 0.645 39.143 38.460 0.063 0.000 1.499 617 Y HN 0.076 nan 8.280 nan 0.000 0.554 618 N N 0.852 119.711 118.700 0.265 0.000 2.508 618 N HA -0.001 4.741 4.740 0.003 0.000 0.285 618 N C -0.900 174.668 175.510 0.097 0.000 1.144 618 N CA -0.293 52.843 53.050 0.142 0.000 0.978 618 N CB 0.789 39.353 38.487 0.129 0.000 1.180 618 N HN 0.626 nan 8.380 nan 0.000 0.484 619 E N 1.950 122.176 120.200 0.043 0.000 2.498 619 E HA -0.056 4.296 4.350 0.003 0.000 0.252 619 E C 1.257 177.820 176.600 -0.061 0.000 1.025 619 E CA 0.246 56.646 56.400 -0.000 0.000 0.938 619 E CB -0.156 29.532 29.700 -0.021 0.000 0.947 619 E HN 0.816 nan 8.360 nan 0.000 0.478 620 C N 3.059 122.340 119.300 -0.032 0.000 0.517 620 C HA -0.338 4.124 4.460 0.003 0.000 0.032 620 C C 1.388 176.401 174.990 0.038 0.000 0.265 620 C CA 1.395 60.383 59.018 -0.049 0.000 0.530 620 C CB -1.801 25.749 27.740 -0.316 0.000 3.212 620 C HN 0.886 nan 8.230 nan 0.000 1.114 621 F N 3.361 123.432 119.950 0.202 0.000 2.688 621 F HA 0.483 5.013 4.527 0.003 0.000 0.310 621 F C 0.681 176.675 175.800 0.323 0.000 1.098 621 F CA 0.048 58.199 58.000 0.251 0.000 1.228 621 F CB -0.747 38.436 39.000 0.305 0.000 1.042 621 F HN 0.935 nan 8.300 nan 0.000 0.557 622 E N 2.117 122.334 120.200 0.029 0.000 2.318 622 E HA 0.444 4.796 4.350 0.003 0.000 0.265 622 E C -2.792 173.779 176.600 -0.049 0.000 1.069 622 E CA -2.113 54.317 56.400 0.051 0.000 0.893 622 E CB 0.648 30.305 29.700 -0.072 0.000 1.076 622 E HN -0.027 nan 8.360 nan 0.000 0.414 623 P HA 0.024 nan 4.420 nan 0.000 0.277 623 P C -0.526 176.567 177.300 -0.344 0.000 1.276 623 P CA -0.580 62.146 63.100 -0.623 0.000 0.788 623 P CB 0.438 31.470 31.700 -1.113 0.000 1.114 624 V N 0.444 120.232 119.914 -0.209 0.000 2.811 624 V HA 0.016 4.138 4.120 0.003 0.000 0.302 624 V C 1.747 177.697 176.094 -0.239 0.000 1.063 624 V CA 1.050 63.274 62.300 -0.125 0.000 1.088 624 V CB 0.584 32.413 31.823 0.010 0.000 0.982 624 V HN 0.791 nan 8.190 nan 0.000 0.485 625 T N -0.489 113.962 114.554 -0.171 0.000 3.044 625 T HA 0.140 4.492 4.350 0.003 0.000 0.255 625 T C 0.582 175.331 174.700 0.081 0.000 1.073 625 T CA 0.562 62.570 62.100 -0.154 0.000 1.125 625 T CB 0.174 69.022 68.868 -0.033 0.000 0.908 625 T HN 0.885 nan 8.240 nan 0.000 0.480 626 S N -0.160 115.578 115.700 0.063 0.000 2.565 626 S HA 0.346 4.818 4.470 0.003 0.000 0.274 626 S C -0.861 173.768 174.600 0.047 0.000 1.144 626 S CA -0.964 57.291 58.200 0.091 0.000 0.849 626 S CB 0.819 64.084 63.200 0.108 0.000 1.103 626 S HN 0.064 nan 8.310 nan 0.000 0.455 627 N N 1.530 120.256 118.700 0.044 0.000 2.421 627 N HA 0.208 4.950 4.740 0.003 0.000 0.201 627 N C 0.092 175.590 175.510 -0.020 0.000 1.198 627 N CA 0.341 53.390 53.050 -0.003 0.000 0.838 627 N CB -0.069 38.404 38.487 -0.025 0.000 1.011 627 N HN 0.702 nan 8.380 nan 0.000 0.463 639 Q N 0.360 120.328 119.800 0.281 0.000 2.319 639 Q HA 0.710 5.052 4.340 0.003 0.000 0.173 639 Q C -0.859 175.205 176.000 0.106 0.000 1.112 639 Q CA 0.072 55.957 55.803 0.138 0.000 1.144 639 Q CB 0.888 29.676 28.738 0.083 0.000 1.765 639 Q HN 0.200 nan 8.270 nan 0.000 0.594 640 V N 0.821 120.756 119.914 0.035 0.000 2.482 640 V HA 0.363 4.485 4.120 0.003 0.000 0.295 640 V C -0.993 175.092 176.094 -0.016 0.000 1.026 640 V CA -0.703 61.603 62.300 0.010 0.000 0.856 640 V CB 1.598 33.391 31.823 -0.051 0.000 1.001 640 V HN 0.503 nan 8.190 nan 0.000 0.424 641 V N 4.979 124.876 119.914 -0.029 0.000 2.644 641 V HA 0.402 4.524 4.120 0.003 0.000 0.295 641 V C 0.589 176.588 176.094 -0.160 0.000 1.053 641 V CA -0.512 61.740 62.300 -0.081 0.000 0.987 641 V CB 1.869 33.623 31.823 -0.116 0.000 1.006 641 V HN 0.992 nan 8.190 nan 0.000 0.472 642 N N 7.564 126.155 118.700 -0.182 0.000 2.301 642 N HA 0.020 4.762 4.740 0.003 0.000 0.267 642 N C -1.432 173.861 175.510 -0.361 0.000 1.304 642 N CA -0.859 52.035 53.050 -0.259 0.000 0.851 642 N CB 1.177 39.519 38.487 -0.242 0.000 1.070 642 N HN 0.421 nan 8.380 nan 0.000 0.483 643 P HA -0.139 nan 4.420 nan 0.000 0.217 643 P C 0.684 177.762 177.300 -0.371 0.000 1.151 643 P CA 1.573 64.401 63.100 -0.453 0.000 0.828 643 P CB -0.058 31.320 31.700 -0.536 0.000 0.788 644 Y N -0.508 119.755 120.300 -0.062 0.000 2.286 644 Y HA -0.052 4.500 4.550 0.003 0.000 0.293 644 Y C 2.646 178.482 175.900 -0.107 0.000 1.124 644 Y CA -0.252 57.853 58.100 0.008 0.000 1.178 644 Y CB -1.360 37.208 38.460 0.179 0.000 1.010 644 Y HN -0.160 nan 8.280 nan 0.000 0.536 645 L N 0.409 121.426 121.223 -0.344 0.000 2.012 645 L HA -0.204 4.138 4.340 0.003 0.000 0.210 645 L C 2.188 178.867 176.870 -0.318 0.000 1.073 645 L CA 1.480 55.950 54.840 -0.616 0.000 0.748 645 L CB -1.025 40.610 42.059 -0.708 0.000 0.891 645 L HN 0.291 nan 8.230 nan 0.000 0.431 646 L N -0.370 120.636 121.223 -0.361 0.000 1.994 646 L HA -0.204 4.138 4.340 0.003 0.000 0.208 646 L C 2.753 179.439 176.870 -0.307 0.000 1.071 646 L CA 1.969 56.524 54.840 -0.475 0.000 0.745 646 L CB -0.863 40.885 42.059 -0.519 0.000 0.892 646 L HN 0.306 nan 8.230 nan 0.000 0.431 647 R N 0.177 120.578 120.500 -0.165 0.000 2.133 647 R HA -0.219 4.124 4.340 0.003 0.000 0.245 647 R C 1.982 178.270 176.300 -0.020 0.000 1.137 647 R CA 2.299 58.362 56.100 -0.061 0.000 0.947 647 R CB -0.801 29.515 30.300 0.027 0.000 0.865 647 R HN 0.505 nan 8.270 nan 0.000 0.437 648 D N -0.152 120.263 120.400 0.025 0.000 2.097 648 D HA -0.147 4.495 4.640 0.003 0.000 0.195 648 D C 2.035 178.372 176.300 0.061 0.000 0.989 648 D CA 1.441 55.488 54.000 0.079 0.000 0.827 648 D CB -0.322 40.585 40.800 0.177 0.000 0.966 648 D HN 0.261 nan 8.370 nan 0.000 0.456 649 L N 0.507 121.745 121.223 0.026 0.000 2.013 649 L HA -0.183 4.160 4.340 0.003 0.000 0.212 649 L C 2.624 179.576 176.870 0.137 0.000 1.073 649 L CA 0.824 55.723 54.840 0.098 0.000 0.753 649 L CB -0.556 41.572 42.059 0.116 0.000 0.890 649 L HN -0.047 nan 8.230 nan 0.000 0.432 650 V N -0.297 119.645 119.914 0.048 0.000 2.295 650 V HA -0.289 3.833 4.120 0.003 0.000 0.246 650 V C 1.841 177.981 176.094 0.077 0.000 1.049 650 V CA 1.990 64.342 62.300 0.087 0.000 1.024 650 V CB -0.559 31.255 31.823 -0.016 0.000 0.648 650 V HN 0.406 nan 8.190 nan 0.000 0.447 651 D N -0.266 120.163 120.400 0.049 0.000 2.384 651 D HA -0.069 4.573 4.640 0.003 0.000 0.222 651 D C 1.516 177.850 176.300 0.056 0.000 0.976 651 D CA 0.982 55.011 54.000 0.048 0.000 0.915 651 D CB -0.032 40.794 40.800 0.044 0.000 0.896 651 D HN 0.389 nan 8.370 nan 0.000 0.523 652 L N -2.243 119.022 121.223 0.070 0.000 2.858 652 L HA 0.318 4.660 4.340 0.003 0.000 0.251 652 L C 1.715 178.626 176.870 0.067 0.000 1.149 652 L CA 0.273 55.153 54.840 0.066 0.000 0.955 652 L CB 0.603 42.704 42.059 0.071 0.000 1.289 652 L HN 0.143 nan 8.230 nan 0.000 0.542 653 G N 1.836 110.686 108.800 0.084 0.000 2.420 653 G HA2 -0.348 3.614 3.960 0.003 0.000 0.221 653 G HA3 -0.348 3.614 3.960 0.003 0.000 0.221 653 G C 0.964 175.920 174.900 0.094 0.000 1.117 653 G CA 0.377 45.525 45.100 0.079 0.000 0.657 653 G HN 0.382 nan 8.290 nan 0.000 0.512 654 I N -1.341 119.283 120.570 0.090 0.000 3.164 654 I HA 0.155 4.327 4.170 0.003 0.000 0.278 654 I C 1.171 177.357 176.117 0.115 0.000 1.320 654 I CA -0.010 61.331 61.300 0.068 0.000 1.422 654 I CB -0.225 37.806 38.000 0.052 0.000 1.066 654 I HN 0.374 nan 8.210 nan 0.000 0.503 655 W N 5.367 126.661 121.300 -0.011 0.000 2.311 655 W HA 0.253 4.915 4.660 0.003 0.000 0.310 655 W C -0.679 175.836 176.519 -0.005 0.000 1.274 655 W CA -0.060 57.280 57.345 -0.008 0.000 1.215 655 W CB 0.871 30.330 29.460 -0.001 0.000 1.227 655 W HN 0.425 nan 8.180 nan 0.000 0.523 656 D N 2.760 122.625 120.400 -0.892 0.000 4.630 656 D HA 0.050 4.692 4.640 0.003 0.000 0.339 656 D C 0.110 175.957 176.300 -0.756 0.000 1.710 656 D CA -0.213 53.368 54.000 -0.699 0.000 0.986 656 D CB 0.399 41.022 40.800 -0.296 0.000 1.495 656 D HN 0.171 nan 8.370 nan 0.000 0.670 657 E N 0.298 120.268 120.200 -0.383 0.000 2.134 657 E HA 0.280 4.632 4.350 0.003 0.000 0.194 657 E C 1.338 177.849 176.600 -0.149 0.000 0.937 657 E CA 1.137 57.388 56.400 -0.247 0.000 0.874 657 E CB -0.592 29.034 29.700 -0.124 0.000 0.853 657 E HN 0.512 nan 8.360 nan 0.000 0.471 658 G N 0.948 109.693 108.800 -0.091 0.000 2.924 658 G HA2 0.293 4.255 3.960 0.003 0.000 0.273 658 G HA3 0.293 4.255 3.960 0.003 0.000 0.273 658 G C 0.427 175.247 174.900 -0.134 0.000 0.734 658 G CA 0.262 45.382 45.100 0.034 0.000 2.065 658 G HN -0.008 nan 8.290 nan 0.000 0.580 659 M N 0.382 119.943 119.600 -0.065 0.000 1.361 659 M HA 0.057 4.539 4.480 0.003 0.000 0.169 659 M C 1.831 178.055 176.300 -0.127 0.000 1.136 659 M CA 0.461 55.623 55.300 -0.231 0.000 0.595 659 M CB -0.994 31.359 32.600 -0.412 0.000 1.679 659 M HN 0.306 nan 8.290 nan 0.000 0.645 660 K N 0.760 120.888 120.400 -0.453 0.000 2.015 660 K HA -0.260 4.062 4.320 0.003 0.000 0.216 660 K C 1.675 178.299 176.600 0.040 0.000 1.052 660 K CA 2.489 58.625 56.287 -0.252 0.000 0.937 660 K CB -0.553 31.747 32.500 -0.332 0.000 0.719 660 K HN 0.519 nan 8.250 nan 0.000 0.446 661 Q N 0.002 119.827 119.800 0.041 0.000 2.217 661 Q HA -0.222 4.120 4.340 0.003 0.000 0.209 661 Q C 1.861 177.905 176.000 0.074 0.000 0.988 661 Q CA 1.877 57.716 55.803 0.059 0.000 0.878 661 Q CB -0.321 28.444 28.738 0.045 0.000 0.909 661 Q HN 0.601 nan 8.270 nan 0.000 0.424 662 Y N -0.367 119.920 120.300 -0.021 0.000 2.242 662 Y HA -0.208 4.344 4.550 0.003 0.000 0.291 662 Y C 2.241 178.160 175.900 0.032 0.000 1.137 662 Y CA 0.787 58.890 58.100 0.004 0.000 1.181 662 Y CB 0.091 38.554 38.460 0.006 0.000 0.989 662 Y HN 0.078 nan 8.280 nan 0.000 0.527 663 L N -0.502 120.845 121.223 0.206 0.000 2.044 663 L HA -0.180 4.162 4.340 0.003 0.000 0.205 663 L C 2.117 179.044 176.870 0.094 0.000 1.075 663 L CA 1.308 56.240 54.840 0.154 0.000 0.747 663 L CB -0.731 41.439 42.059 0.184 0.000 0.903 663 L HN 0.175 nan 8.230 nan 0.000 0.435 664 I N -0.619 120.002 120.570 0.085 0.000 2.091 664 I HA -0.295 3.877 4.170 0.003 0.000 0.239 664 I C 1.593 177.714 176.117 0.007 0.000 1.061 664 I CA 1.836 63.163 61.300 0.044 0.000 1.317 664 I CB -1.308 36.711 38.000 0.032 0.000 1.031 664 I HN 0.355 nan 8.210 nan 0.000 0.401 665 T N -1.361 113.181 114.554 -0.020 0.000 3.792 665 T HA 0.130 4.482 4.350 0.003 0.000 0.233 665 T C 0.599 175.276 174.700 -0.039 0.000 0.860 665 T CA 0.086 62.154 62.100 -0.052 0.000 0.915 665 T CB 0.163 68.969 68.868 -0.103 0.000 1.216 665 T HN 0.270 nan 8.240 nan 0.000 0.664 666 Q N 1.655 121.454 119.800 -0.002 0.000 1.798 666 Q HA 0.108 4.450 4.340 0.003 0.000 0.173 666 Q C -0.194 175.820 176.000 0.023 0.000 0.780 666 Q CA -0.235 55.576 55.803 0.014 0.000 0.866 666 Q CB -0.141 28.627 28.738 0.050 0.000 1.234 666 Q HN 0.738 nan 8.270 nan 0.000 0.390 667 N N 0.225 118.934 118.700 0.014 0.000 2.669 667 N HA -0.235 4.508 4.740 0.003 0.000 0.266 667 N C 0.776 176.319 175.510 0.056 0.000 1.024 667 N CA 1.305 54.367 53.050 0.020 0.000 0.766 667 N CB -1.901 36.577 38.487 -0.016 0.000 0.898 667 N HN 0.637 nan 8.380 nan 0.000 0.548 668 G N -1.610 107.229 108.800 0.064 0.000 2.186 668 G HA2 -0.382 3.580 3.960 0.003 0.000 0.266 668 G HA3 -0.382 3.580 3.960 0.003 0.000 0.266 668 G C 0.111 175.064 174.900 0.089 0.000 0.982 668 G CA 0.963 46.107 45.100 0.073 0.000 0.670 668 G HN 1.073 nan 8.290 nan 0.000 0.533 669 S N -0.552 115.206 115.700 0.096 0.000 2.632 669 S HA 0.671 5.144 4.470 0.003 0.000 0.271 669 S C 1.387 176.056 174.600 0.115 0.000 1.260 669 S CA -0.105 58.161 58.200 0.109 0.000 1.010 669 S CB 0.794 64.055 63.200 0.102 0.000 0.965 669 S HN 1.030 nan 8.310 nan 0.000 0.534 670 I N 0.022 120.668 120.570 0.126 0.000 4.338 670 I HA 0.366 4.538 4.170 0.003 0.000 0.329 670 I C -0.118 176.072 176.117 0.122 0.000 1.378 670 I CA -0.645 60.735 61.300 0.132 0.000 1.170 670 I CB 0.183 38.272 38.000 0.149 0.000 1.206 670 I HN 0.353 nan 8.210 nan 0.000 0.432 671 Q N 2.265 122.131 119.800 0.111 0.000 2.368 671 Q HA 0.285 4.627 4.340 0.003 0.000 0.237 671 Q C 1.046 177.098 176.000 0.087 0.000 0.987 671 Q CA 0.665 56.525 55.803 0.095 0.000 0.896 671 Q CB 0.720 29.510 28.738 0.087 0.000 1.241 671 Q HN 0.518 nan 8.270 nan 0.000 0.485 672 G N 1.143 109.988 108.800 0.076 0.000 2.283 672 G HA2 -0.277 3.685 3.960 0.003 0.000 0.280 672 G HA3 -0.277 3.685 3.960 0.003 0.000 0.280 672 G C -0.309 174.643 174.900 0.088 0.000 1.029 672 G CA 0.262 45.405 45.100 0.072 0.000 0.840 672 G HN 0.431 nan 8.290 nan 0.000 0.505 673 L N -0.442 120.834 121.223 0.089 0.000 2.282 673 L HA 0.407 4.749 4.340 0.003 0.000 0.288 673 L C -0.483 176.420 176.870 0.054 0.000 1.033 673 L CA -2.389 52.508 54.840 0.094 0.000 0.807 673 L CB 1.831 43.950 42.059 0.099 0.000 1.209 673 L HN -0.085 nan 8.230 nan 0.000 0.423 674 P HA -0.152 nan 4.420 nan 0.000 0.216 674 P C 0.221 177.522 177.300 0.001 0.000 1.150 674 P CA 1.344 64.451 63.100 0.013 0.000 0.843 674 P CB 0.205 31.896 31.700 -0.014 0.000 0.787 675 N N -0.972 117.720 118.700 -0.012 0.000 2.517 675 N HA 0.164 4.906 4.740 0.003 0.000 0.285 675 N C -1.260 174.262 175.510 0.021 0.000 1.528 675 N CA -0.023 53.026 53.050 -0.003 0.000 0.892 675 N CB 1.051 39.523 38.487 -0.024 0.000 1.356 675 N HN -0.159 nan 8.380 nan 0.000 0.495 676 V N 2.325 122.263 119.914 0.040 0.000 2.435 676 V HA 0.416 4.538 4.120 0.003 0.000 0.290 676 V C -2.108 174.025 176.094 0.065 0.000 1.030 676 V CA -1.659 60.680 62.300 0.066 0.000 0.881 676 V CB 1.548 33.425 31.823 0.090 0.000 0.983 676 V HN 0.140 nan 8.190 nan 0.000 0.445 677 P HA 0.060 nan 4.420 nan 0.000 0.264 677 P C 0.575 177.910 177.300 0.059 0.000 1.193 677 P CA 0.060 63.194 63.100 0.057 0.000 0.763 677 P CB 0.588 32.323 31.700 0.059 0.000 0.810 678 Q N 4.096 123.923 119.800 0.045 0.000 2.224 678 Q HA -0.288 4.054 4.340 0.003 0.000 0.213 678 Q C 1.739 177.760 176.000 0.036 0.000 0.998 678 Q CA 2.548 58.376 55.803 0.041 0.000 0.895 678 Q CB -0.499 28.257 28.738 0.030 0.000 0.926 678 Q HN 0.692 nan 8.270 nan 0.000 0.417 679 E N -1.003 119.214 120.200 0.028 0.000 2.204 679 E HA -0.150 4.202 4.350 0.003 0.000 0.194 679 E C 1.779 178.374 176.600 -0.008 0.000 0.989 679 E CA 1.142 57.545 56.400 0.005 0.000 0.824 679 E CB -0.355 29.345 29.700 0.001 0.000 0.756 679 E HN 0.464 nan 8.360 nan 0.000 0.477 680 L N 0.586 121.836 121.223 0.046 0.000 2.131 680 L HA -0.034 4.308 4.340 0.003 0.000 0.206 680 L C 2.523 179.472 176.870 0.131 0.000 1.087 680 L CA 1.150 56.052 54.840 0.103 0.000 0.767 680 L CB -0.389 41.814 42.059 0.240 0.000 0.917 680 L HN 0.108 nan 8.230 nan 0.000 0.441 681 K N 0.121 120.591 120.400 0.117 0.000 2.103 681 K HA -0.182 4.141 4.320 0.003 0.000 0.207 681 K C 1.535 178.182 176.600 0.080 0.000 1.048 681 K CA 1.481 57.839 56.287 0.117 0.000 0.930 681 K CB -0.076 32.479 32.500 0.090 0.000 0.716 681 K HN 0.341 nan 8.250 nan 0.000 0.444 682 D N 0.532 120.950 120.400 0.029 0.000 2.213 682 D HA -0.086 4.556 4.640 0.003 0.000 0.205 682 D C 1.796 178.074 176.300 -0.036 0.000 0.961 682 D CA 0.538 54.542 54.000 0.008 0.000 0.853 682 D CB -0.018 40.779 40.800 -0.005 0.000 0.967 682 D HN 0.031 nan 8.370 nan 0.000 0.496 683 L N -0.375 120.762 121.223 -0.145 0.000 2.217 683 L HA -0.081 4.262 4.340 0.003 0.000 0.211 683 L C 0.900 177.551 176.870 -0.365 0.000 1.107 683 L CA 1.434 56.071 54.840 -0.338 0.000 0.783 683 L CB -0.196 41.489 42.059 -0.622 0.000 0.919 683 L HN 0.015 nan 8.230 nan 0.000 0.442 684 Y N -0.856 119.503 120.300 0.097 0.000 2.720 684 Y HA 0.274 4.826 4.550 0.003 0.000 0.268 684 Y C 0.472 176.417 175.900 0.076 0.000 1.142 684 Y CA -0.808 57.350 58.100 0.098 0.000 1.193 684 Y CB 0.082 38.600 38.460 0.097 0.000 1.176 684 Y HN -0.131 nan 8.280 nan 0.000 0.542 685 K N 1.512 122.006 120.400 0.156 0.000 2.453 685 K HA 0.026 4.349 4.320 0.003 0.000 0.280 685 K C 0.447 177.082 176.600 0.059 0.000 1.045 685 K CA 0.351 56.700 56.287 0.102 0.000 1.059 685 K CB 0.588 33.129 32.500 0.068 0.000 0.901 685 K HN 0.079 nan 8.250 nan 0.000 0.475 686 T N 1.538 116.126 114.554 0.056 0.000 2.882 686 T HA 0.000 4.353 4.350 0.003 0.000 0.287 686 T C 1.415 176.023 174.700 -0.154 0.000 1.014 686 T CA -0.502 61.591 62.100 -0.012 0.000 1.049 686 T CB 1.404 70.337 68.868 0.109 0.000 1.001 686 T HN 0.398 nan 8.240 nan 0.000 0.525 687 V N 2.774 122.425 119.914 -0.438 0.000 2.688 687 V HA -0.115 4.007 4.120 0.003 0.000 0.256 687 V C 1.258 177.010 176.094 -0.570 0.000 1.084 687 V CA 1.690 63.567 62.300 -0.706 0.000 1.103 687 V CB -0.520 30.530 31.823 -1.290 0.000 0.688 687 V HN 0.948 nan 8.190 nan 0.000 0.480 688 W N -0.040 121.178 121.300 -0.137 0.000 2.825 688 W HA 0.058 4.720 4.660 0.003 0.000 0.243 688 W C 2.069 178.584 176.519 -0.007 0.000 1.293 688 W CA 0.514 57.844 57.345 -0.025 0.000 1.403 688 W CB -0.029 29.432 29.460 0.001 0.000 1.134 688 W HN 0.295 nan 8.180 nan 0.000 0.666 689 E N -0.302 119.976 120.200 0.130 0.000 2.562 689 E HA 0.179 4.531 4.350 0.003 0.000 0.214 689 E C 0.253 176.883 176.600 0.051 0.000 0.979 689 E CA -0.091 56.371 56.400 0.104 0.000 1.002 689 E CB 0.505 30.269 29.700 0.106 0.000 1.048 689 E HN 0.154 nan 8.360 nan 0.000 0.488 690 I N 1.443 122.013 120.570 -0.000 0.000 2.359 690 I HA 0.090 4.262 4.170 0.003 0.000 0.294 690 I C 0.441 176.575 176.117 0.027 0.000 0.987 690 I CA -0.651 60.648 61.300 -0.001 0.000 1.225 690 I CB 1.691 39.647 38.000 -0.073 0.000 1.366 690 I HN -0.078 nan 8.210 nan 0.000 0.466 691 S N 4.569 120.299 115.700 0.050 0.000 2.558 691 S HA -0.006 4.466 4.470 0.003 0.000 0.288 691 S C 0.986 175.627 174.600 0.068 0.000 1.318 691 S CA -0.178 58.054 58.200 0.053 0.000 1.056 691 S CB 0.763 63.987 63.200 0.040 0.000 0.853 691 S HN 0.553 nan 8.310 nan 0.000 0.505 692 Q N 3.279 123.121 119.800 0.070 0.000 2.331 692 Q HA 0.025 4.367 4.340 0.003 0.000 0.203 692 Q C 1.873 177.936 176.000 0.105 0.000 0.944 692 Q CA 0.848 56.711 55.803 0.099 0.000 0.892 692 Q CB -0.255 28.545 28.738 0.102 0.000 0.983 692 Q HN 0.829 nan 8.270 nan 0.000 0.482 693 K N 0.304 120.724 120.400 0.032 0.000 2.147 693 K HA -0.087 4.235 4.320 0.003 0.000 0.205 693 K C 1.670 178.339 176.600 0.116 0.000 1.049 693 K CA 1.341 57.608 56.287 -0.033 0.000 0.936 693 K CB 0.272 32.640 32.500 -0.219 0.000 0.722 693 K HN 0.058 nan 8.250 nan 0.000 0.446 694 T N 1.884 116.505 114.554 0.110 0.000 2.770 694 T HA -0.074 4.278 4.350 0.003 0.000 0.263 694 T C 1.785 176.606 174.700 0.202 0.000 1.039 694 T CA 1.011 63.198 62.100 0.146 0.000 1.142 694 T CB -0.040 68.909 68.868 0.136 0.000 0.868 694 T HN 0.086 nan 8.240 nan 0.000 0.435 695 I N 1.348 122.047 120.570 0.215 0.000 2.113 695 I HA -0.163 4.010 4.170 0.003 0.000 0.242 695 I C 2.381 178.644 176.117 0.243 0.000 1.064 695 I CA 1.548 63.004 61.300 0.261 0.000 1.320 695 I CB -1.263 36.874 38.000 0.228 0.000 1.028 695 I HN 0.265 nan 8.210 nan 0.000 0.406 696 I N 0.672 121.386 120.570 0.241 0.000 2.286 696 I HA -0.306 3.866 4.170 0.003 0.000 0.248 696 I C 2.291 178.534 176.117 0.209 0.000 1.115 696 I CA 1.079 62.527 61.300 0.246 0.000 1.392 696 I CB -0.443 37.771 38.000 0.356 0.000 1.065 696 I HN 0.278 nan 8.210 nan 0.000 0.418 697 N N 0.802 119.647 118.700 0.242 0.000 2.043 697 N HA -0.189 4.553 4.740 0.003 0.000 0.193 697 N C 1.888 177.447 175.510 0.082 0.000 1.037 697 N CA 1.691 54.840 53.050 0.164 0.000 0.851 697 N CB -0.311 38.279 38.487 0.172 0.000 1.027 697 N HN 0.312 nan 8.380 nan 0.000 0.422 698 M N 0.170 119.832 119.600 0.103 0.000 2.175 698 M HA -0.048 4.434 4.480 0.003 0.000 0.264 698 M C 2.187 178.489 176.300 0.004 0.000 1.063 698 M CA 1.260 56.594 55.300 0.057 0.000 1.119 698 M CB -0.213 32.456 32.600 0.115 0.000 1.377 698 M HN 0.133 nan 8.290 nan 0.000 0.415 699 A N 0.774 123.640 122.820 0.076 0.000 1.865 699 A HA -0.114 4.208 4.320 0.003 0.000 0.217 699 A C 2.425 179.999 177.584 -0.017 0.000 1.191 699 A CA 2.125 54.223 52.037 0.103 0.000 0.623 699 A CB -1.107 17.982 19.000 0.149 0.000 0.826 699 A HN 0.485 nan 8.150 nan 0.000 0.444 700 A N -0.050 122.760 122.820 -0.017 0.000 1.908 700 A HA -0.232 4.090 4.320 0.003 0.000 0.218 700 A C 1.793 179.190 177.584 -0.312 0.000 1.181 700 A CA 2.054 54.022 52.037 -0.116 0.000 0.627 700 A CB -0.713 18.268 19.000 -0.032 0.000 0.818 700 A HN 0.513 nan 8.150 nan 0.000 0.445 701 D N -0.239 120.036 120.400 -0.210 0.000 2.088 701 D HA -0.216 4.426 4.640 0.003 0.000 0.191 701 D C 2.198 178.286 176.300 -0.353 0.000 0.992 701 D CA 2.002 55.864 54.000 -0.231 0.000 0.831 701 D CB -0.526 40.210 40.800 -0.107 0.000 0.973 701 D HN 0.741 nan 8.370 nan 0.000 0.447 702 R N 0.751 121.043 120.500 -0.346 0.000 2.152 702 R HA 0.008 4.350 4.340 0.003 0.000 0.232 702 R C 2.070 177.984 176.300 -0.643 0.000 1.117 702 R CA 1.353 57.174 56.100 -0.466 0.000 0.981 702 R CB -0.552 29.165 30.300 -0.973 0.000 0.870 702 R HN -0.112 nan 8.270 nan 0.000 0.451 703 S N 0.928 116.201 115.700 -0.712 0.000 2.440 703 S HA -0.100 4.372 4.470 0.003 0.000 0.238 703 S C 1.904 175.833 174.600 -1.118 0.000 1.010 703 S CA 1.303 59.044 58.200 -0.764 0.000 0.972 703 S CB -0.159 62.679 63.200 -0.604 0.000 0.774 703 S HN 0.490 nan 8.310 nan 0.000 0.501 704 V N -1.770 117.331 119.914 -1.355 0.000 3.217 704 V HA 0.063 4.185 4.120 0.003 0.000 0.264 704 V C 0.803 176.343 176.094 -0.922 0.000 1.135 704 V CA 0.998 62.421 62.300 -1.462 0.000 1.142 704 V CB -1.059 30.015 31.823 -1.248 0.000 0.754 704 V HN 0.589 nan 8.190 nan 0.000 0.484 705 Y N 0.248 120.311 120.300 -0.394 0.000 2.720 705 Y HA 0.597 5.149 4.550 0.004 0.000 0.277 705 Y C 0.468 176.016 175.900 -0.586 0.000 1.144 705 Y CA -0.617 57.286 58.100 -0.327 0.000 1.221 705 Y CB 0.331 38.832 38.460 0.068 0.000 1.163 705 Y HN 0.182 nan 8.280 nan 0.000 0.537 706 I N 0.489 120.793 120.570 -0.443 0.000 2.437 706 I HA 0.142 4.314 4.170 0.003 0.000 0.279 706 I C 0.271 176.244 176.117 -0.239 0.000 1.028 706 I CA -0.404 60.703 61.300 -0.322 0.000 1.142 706 I CB 1.286 39.122 38.000 -0.273 0.000 1.266 706 I HN 0.127 nan 8.210 nan 0.000 0.461 707 D N 3.609 123.850 120.400 -0.265 0.000 2.170 707 D HA -0.193 4.450 4.640 0.003 0.000 0.193 707 D C 1.292 177.570 176.300 -0.037 0.000 1.004 707 D CA 1.916 55.850 54.000 -0.110 0.000 0.860 707 D CB 0.436 41.221 40.800 -0.024 0.000 0.931 707 D HN 0.621 nan 8.370 nan 0.000 0.448 708 Q N -0.880 118.903 119.800 -0.027 0.000 3.081 708 Q HA 0.371 4.713 4.340 0.003 0.000 0.219 708 Q C 0.383 176.404 176.000 0.035 0.000 1.169 708 Q CA -0.397 55.408 55.803 0.003 0.000 0.309 708 Q CB 0.598 29.335 28.738 -0.000 0.000 5.821 708 Q HN -0.033 nan 8.270 nan 0.000 0.320 709 S N -1.049 114.679 115.700 0.047 0.000 2.794 709 S HA 0.477 4.949 4.470 0.003 0.000 0.299 709 S C -1.908 172.774 174.600 0.137 0.000 1.179 709 S CA -0.702 57.560 58.200 0.102 0.000 0.838 709 S CB 1.238 64.482 63.200 0.074 0.000 1.206 709 S HN 0.605 nan 8.310 nan 0.000 0.523 710 H N -1.291 117.724 119.070 -0.091 0.000 2.930 710 H HA 0.618 5.177 4.556 0.004 0.000 0.371 710 H C -0.963 174.355 175.328 -0.017 0.000 1.169 710 H CA -0.948 55.035 56.048 -0.107 0.000 1.157 710 H CB 1.215 30.764 29.762 -0.356 0.000 1.789 710 H HN 0.287 nan 8.280 nan 0.000 0.547 711 S N 2.756 118.546 115.700 0.150 0.000 4.117 711 S HA 0.023 4.495 4.470 0.003 0.000 0.191 711 S C 0.362 175.146 174.600 0.308 0.000 1.308 711 S CA -0.478 57.723 58.200 0.001 0.000 0.906 711 S CB -0.646 62.474 63.200 -0.132 0.000 1.565 711 S HN 0.461 nan 8.310 nan 0.000 0.439 712 L N 3.482 124.765 121.223 0.100 0.000 2.617 712 L HA 0.092 4.434 4.340 0.003 0.000 0.282 712 L C 0.399 177.401 176.870 0.221 0.000 1.174 712 L CA 0.053 55.002 54.840 0.182 0.000 1.016 712 L CB -0.448 41.581 42.059 -0.050 0.000 1.337 712 L HN 0.505 nan 8.230 nan 0.000 0.460 713 N N 3.039 121.893 118.700 0.256 0.000 2.518 713 N HA 0.233 4.975 4.740 0.003 0.000 0.266 713 N C -0.807 174.658 175.510 -0.075 0.000 1.196 713 N CA -0.668 52.393 53.050 0.019 0.000 0.947 713 N CB 0.939 39.347 38.487 -0.132 0.000 1.098 713 N HN 0.282 nan 8.380 nan 0.000 0.450 714 L N 2.767 123.846 121.223 -0.239 0.000 2.342 714 L HA 0.543 4.886 4.340 0.003 0.000 0.271 714 L C -1.097 175.526 176.870 -0.412 0.000 1.008 714 L CA -0.503 54.248 54.840 -0.148 0.000 0.818 714 L CB 1.103 43.149 42.059 -0.021 0.000 1.296 714 L HN 0.433 nan 8.230 nan 0.000 0.427 715 F N 3.536 123.449 119.950 -0.062 0.000 2.518 715 F HA 0.627 5.156 4.527 0.003 0.000 0.323 715 F C -0.259 175.586 175.800 0.075 0.000 1.129 715 F CA -0.519 57.402 58.000 -0.131 0.000 0.920 715 F CB 1.474 40.128 39.000 -0.577 0.000 1.160 715 F HN 0.068 nan 8.300 nan 0.000 0.440 716 L N 3.074 124.559 121.223 0.437 0.000 2.370 716 L HA 0.536 4.878 4.340 0.003 0.000 0.266 716 L C 0.758 177.896 176.870 0.446 0.000 1.002 716 L CA -1.046 54.013 54.840 0.365 0.000 0.818 716 L CB 2.353 44.533 42.059 0.203 0.000 1.325 716 L HN 0.610 nan 8.230 nan 0.000 0.418 717 R N 2.554 123.235 120.500 0.301 0.000 2.162 717 R HA 0.037 4.380 4.340 0.003 0.000 0.153 717 R C 0.156 176.497 176.300 0.068 0.000 0.733 717 R CA 1.673 57.876 56.100 0.173 0.000 1.357 717 R CB -0.244 30.129 30.300 0.122 0.000 0.576 717 R HN 0.708 nan 8.270 nan 0.000 0.609 718 A N 1.538 124.387 122.820 0.048 0.000 2.253 718 A HA 0.474 4.796 4.320 0.003 0.000 0.316 718 A C -2.330 175.287 177.584 0.056 0.000 1.327 718 A CA -1.741 50.315 52.037 0.031 0.000 0.917 718 A CB 0.357 19.364 19.000 0.013 0.000 1.162 718 A HN 0.386 nan 8.150 nan 0.000 0.535 719 P HA 0.184 nan 4.420 nan 0.000 0.267 719 P C 0.190 177.521 177.300 0.053 0.000 1.201 719 P CA 0.491 63.631 63.100 0.067 0.000 0.775 719 P CB 0.575 32.308 31.700 0.056 0.000 0.854 720 T N -1.240 113.349 114.554 0.059 0.000 2.909 720 T HA 0.401 4.753 4.350 0.003 0.000 0.299 720 T C 0.683 175.423 174.700 0.067 0.000 1.073 720 T CA -0.766 61.368 62.100 0.058 0.000 0.999 720 T CB 1.028 69.935 68.868 0.065 0.000 1.098 720 T HN 0.144 nan 8.240 nan 0.000 0.477 721 M N 2.206 121.843 119.600 0.062 0.000 2.213 721 M HA 0.172 4.654 4.480 0.003 0.000 0.263 721 M C 2.118 178.513 176.300 0.159 0.000 1.062 721 M CA 2.278 57.623 55.300 0.074 0.000 1.105 721 M CB -0.612 32.018 32.600 0.049 0.000 1.385 721 M HN 0.936 nan 8.290 nan 0.000 0.417 722 G N -0.902 107.981 108.800 0.139 0.000 2.408 722 G HA2 -0.165 3.797 3.960 0.003 0.000 0.215 722 G HA3 -0.165 3.797 3.960 0.003 0.000 0.215 722 G C 1.569 176.562 174.900 0.156 0.000 1.156 722 G CA 0.506 45.697 45.100 0.151 0.000 0.793 722 G HN 0.399 nan 8.290 nan 0.000 0.535 723 K N -0.213 120.262 120.400 0.125 0.000 2.097 723 K HA 0.170 4.492 4.320 0.003 0.000 0.205 723 K C 2.400 179.079 176.600 0.131 0.000 1.050 723 K CA 0.436 56.791 56.287 0.112 0.000 0.938 723 K CB -0.207 32.345 32.500 0.087 0.000 0.718 723 K HN 0.261 nan 8.250 nan 0.000 0.442 724 L N 0.456 121.765 121.223 0.143 0.000 2.017 724 L HA -0.199 4.143 4.340 0.003 0.000 0.208 724 L C 2.193 179.266 176.870 0.338 0.000 1.073 724 L CA 1.601 56.520 54.840 0.131 0.000 0.745 724 L CB -0.483 41.664 42.059 0.147 0.000 0.894 724 L HN 0.314 nan 8.230 nan 0.000 0.432 725 T N -1.156 113.715 114.554 0.529 0.000 2.720 725 T HA -0.188 4.164 4.350 0.003 0.000 0.268 725 T C 2.043 177.137 174.700 0.655 0.000 1.037 725 T CA 1.714 64.313 62.100 0.830 0.000 1.144 725 T CB -0.178 69.061 68.868 0.618 0.000 0.864 725 T HN 0.294 nan 8.240 nan 0.000 0.444 726 S N 0.859 116.781 115.700 0.369 0.000 2.368 726 S HA 0.004 4.476 4.470 0.003 0.000 0.225 726 S C 2.057 176.855 174.600 0.330 0.000 1.030 726 S CA 1.055 59.428 58.200 0.288 0.000 0.999 726 S CB -0.375 62.917 63.200 0.153 0.000 0.844 726 S HN 0.366 nan 8.310 nan 0.000 0.459 727 M N 0.774 120.515 119.600 0.235 0.000 2.065 727 M HA -0.158 4.324 4.480 0.003 0.000 0.259 727 M C 2.108 178.546 176.300 0.230 0.000 1.069 727 M CA 1.538 56.932 55.300 0.157 0.000 1.110 727 M CB -0.245 32.343 32.600 -0.020 0.000 1.328 727 M HN 0.335 nan 8.290 nan 0.000 0.405 728 H N -1.135 118.172 119.070 0.396 0.000 2.326 728 H HA -0.109 4.449 4.556 0.003 0.000 0.301 728 H C 2.040 177.562 175.328 0.323 0.000 1.081 728 H CA 1.855 58.130 56.048 0.378 0.000 1.334 728 H CB -0.684 29.347 29.762 0.449 0.000 1.385 728 H HN 0.402 nan 8.280 nan 0.000 0.504 729 F N -0.030 120.204 119.950 0.474 0.000 2.216 729 F HA -0.209 4.322 4.527 0.005 0.000 0.300 729 F C 2.630 178.634 175.800 0.339 0.000 1.085 729 F CA 0.943 59.166 58.000 0.372 0.000 1.326 729 F CB -0.531 38.607 39.000 0.231 0.000 1.027 729 F HN 0.081 nan 8.300 nan 0.000 0.497 730 Y N 0.707 121.212 120.300 0.343 0.000 2.114 730 Y HA -0.128 4.423 4.550 0.003 0.000 0.284 730 Y C 2.519 178.520 175.900 0.167 0.000 1.143 730 Y CA 1.555 59.780 58.100 0.209 0.000 1.135 730 Y CB -1.032 37.528 38.460 0.166 0.000 0.980 730 Y HN -0.002 nan 8.280 nan 0.000 0.499 731 G N -0.973 107.966 108.800 0.231 0.000 2.418 731 G HA2 -0.345 3.617 3.960 0.003 0.000 0.217 731 G HA3 -0.345 3.617 3.960 0.003 0.000 0.217 731 G C 1.466 176.408 174.900 0.069 0.000 1.158 731 G CA 0.834 46.022 45.100 0.148 0.000 0.771 731 G HN 0.654 nan 8.290 nan 0.000 0.545 732 W N 1.721 122.918 121.300 -0.172 0.000 2.335 732 W HA -0.033 4.628 4.660 0.002 0.000 0.311 732 W C 2.471 178.768 176.519 -0.370 0.000 1.213 732 W CA 1.792 58.790 57.345 -0.579 0.000 1.274 732 W CB -0.056 28.913 29.460 -0.818 0.000 1.148 732 W HN 0.091 nan 8.180 nan 0.000 0.498 733 K N -0.121 120.047 120.400 -0.387 0.000 2.217 733 K HA -0.111 4.211 4.320 0.003 0.000 0.202 733 K C 1.765 178.122 176.600 -0.405 0.000 1.051 733 K CA 0.822 56.782 56.287 -0.545 0.000 0.952 733 K CB -0.293 32.027 32.500 -0.301 0.000 0.736 733 K HN -0.055 nan 8.250 nan 0.000 0.453 734 K N 0.231 120.432 120.400 -0.332 0.000 2.519 734 K HA -0.061 4.261 4.320 0.003 0.000 0.196 734 K C 1.001 177.539 176.600 -0.103 0.000 1.041 734 K CA 0.761 56.907 56.287 -0.236 0.000 0.954 734 K CB -0.358 31.992 32.500 -0.250 0.000 0.774 734 K HN 0.462 nan 8.250 nan 0.000 0.480 735 G N 1.271 109.916 108.800 -0.258 0.000 2.147 735 G HA2 -0.263 3.699 3.960 0.003 0.000 0.244 735 G HA3 -0.263 3.699 3.960 0.003 0.000 0.244 735 G C 0.110 174.894 174.900 -0.193 0.000 1.005 735 G CA 0.091 44.984 45.100 -0.345 0.000 0.713 735 G HN 0.252 nan 8.290 nan 0.000 0.515 736 L N -0.747 120.498 121.223 0.036 0.000 2.506 736 L HA 0.159 4.501 4.340 0.003 0.000 0.281 736 L C 1.919 178.914 176.870 0.207 0.000 1.228 736 L CA 0.463 55.429 54.840 0.210 0.000 0.850 736 L CB 0.442 42.641 42.059 0.233 0.000 1.110 736 L HN 0.211 nan 8.230 nan 0.000 0.496 737 K N 0.740 121.258 120.400 0.197 0.000 2.020 737 K HA 0.033 4.356 4.320 0.003 0.000 0.206 737 K C 0.398 177.086 176.600 0.146 0.000 1.038 737 K CA 0.788 57.158 56.287 0.138 0.000 0.947 737 K CB 0.044 32.603 32.500 0.099 0.000 0.744 737 K HN 0.548 nan 8.250 nan 0.000 0.442 738 T N 1.186 115.795 114.554 0.092 0.000 2.782 738 T HA 0.124 4.476 4.350 0.003 0.000 0.298 738 T C 0.986 175.733 174.700 0.078 0.000 0.944 738 T CA -0.357 61.762 62.100 0.031 0.000 1.001 738 T CB 1.244 70.087 68.868 -0.041 0.000 0.932 738 T HN 0.385 nan 8.240 nan 0.000 0.524 739 G N 3.196 112.057 108.800 0.103 0.000 2.408 739 G HA2 0.027 3.989 3.960 0.003 0.000 0.217 739 G HA3 0.027 3.989 3.960 0.003 0.000 0.217 739 G C 0.350 175.365 174.900 0.191 0.000 1.150 739 G CA 0.490 45.766 45.100 0.293 0.000 0.776 739 G HN 0.578 nan 8.290 nan 0.000 0.542 740 M N -2.134 117.534 119.600 0.113 0.000 2.465 740 M HA 0.482 4.964 4.480 0.003 0.000 0.284 740 M C -1.158 175.217 176.300 0.124 0.000 1.212 740 M CA -0.961 54.422 55.300 0.138 0.000 0.910 740 M CB 1.902 34.632 32.600 0.218 0.000 1.725 740 M HN 0.070 nan 8.290 nan 0.000 0.477 741 Y N 2.304 122.538 120.300 -0.109 0.000 3.155 741 Y HA 0.477 5.029 4.550 0.003 0.000 0.362 741 Y C -0.716 175.044 175.900 -0.232 0.000 1.103 741 Y CA -0.518 57.353 58.100 -0.382 0.000 1.328 741 Y CB -0.182 38.066 38.460 -0.354 0.000 1.195 741 Y HN 0.582 nan 8.280 nan 0.000 0.801 742 Y N 1.511 121.501 120.300 -0.516 0.000 2.426 742 Y HA 0.205 4.757 4.550 0.003 0.000 0.344 742 Y C 0.393 176.195 175.900 -0.164 0.000 1.256 742 Y CA 0.136 58.071 58.100 -0.276 0.000 1.451 742 Y CB 0.205 38.386 38.460 -0.465 0.000 1.342 742 Y HN 0.126 nan 8.280 nan 0.000 0.600 743 L N 5.406 126.697 121.223 0.114 0.000 2.297 743 L HA 0.353 4.695 4.340 0.003 0.000 0.277 743 L C -0.751 176.105 176.870 -0.023 0.000 1.040 743 L CA -0.622 54.224 54.840 0.009 0.000 0.867 743 L CB -0.143 41.950 42.059 0.056 0.000 1.244 743 L HN 0.627 nan 8.230 nan 0.000 0.433 744 R N 2.414 122.797 120.500 -0.194 0.000 2.491 744 R HA 0.277 4.619 4.340 0.003 0.000 0.283 744 R C 0.017 176.460 176.300 0.238 0.000 1.072 744 R CA -0.128 55.919 56.100 -0.088 0.000 1.048 744 R CB 0.699 30.732 30.300 -0.445 0.000 0.983 744 R HN 0.537 nan 8.270 nan 0.000 0.450 745 T N 2.606 117.351 114.554 0.319 0.000 2.887 745 T HA 0.325 4.677 4.350 0.003 0.000 0.288 745 T C -0.721 174.017 174.700 0.062 0.000 1.021 745 T CA -0.307 61.934 62.100 0.234 0.000 1.000 745 T CB 0.713 69.636 68.868 0.093 0.000 1.034 745 T HN 0.682 nan 8.240 nan 0.000 0.467 746 Q N 0.000 119.762 119.800 -0.064 0.000 2.315 746 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 746 Q CA 0.000 55.601 55.803 -0.337 0.000 1.022 746 Q CB 0.000 28.603 28.738 -0.226 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481