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 2gwc_1_H DATA FIRST_RESID 79 DATA SEQUENCE EPLTREDLIA YLASGCKSKE KWRIGTEHEK FGFEVNTLRP XKYDQIAELL DATA SEQUENCE NSIAERFEWE KVXEGDKIIG LKQGKQSISL EPGGQFELSG APLETLHQTc DATA SEQUENCE AEVNSHLYQV KAVAEEXGIG FLGXGFQPKW RREDIPTXPK GRYDIXRNYX DATA SEQUENCE PKVGSLGLDX XLRTCTVQVN LDFSSEADXI RKFRAGLALQ PIATALFANS DATA SEQUENCE PFTEGKPNGF LSXRSHIWTD TDKDRTGXLP FVFDDSFGFE QYVDYALDVP DATA SEQUENCE XYFAYRNGKY VDcTGXTFRQ FLAGKLPcLP GELPTYNDWE NHLTTIFPEV DATA SEQUENCE RLKRYXEXRG ADGGPWRRLc ALPAFWVGLL YDEDVLQSVL DLTADWTPAE DATA SEQUENCE REXLRNKVPV TGLKTPFRDG LLKHVAEDVL KLAKDGLERR GYKEVGFLNA DATA SEQUENCE VTEVVRTGVT PAENLLEXYN GEWGQSVDPV FQELLY 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 79 E HA 0.000 nan 4.350 nan 0.000 0.291 79 E C 0.000 176.553 176.600 -0.078 0.000 1.382 79 E CA 0.000 56.372 56.400 -0.047 0.000 0.976 79 E CB 0.000 29.681 29.700 -0.031 0.000 0.812 80 P HA -0.019 nan 4.420 nan 0.000 0.266 80 P C -0.153 177.051 177.300 -0.159 0.000 1.180 80 P CA 0.179 63.202 63.100 -0.128 0.000 0.765 80 P CB 0.485 32.120 31.700 -0.108 0.000 0.806 81 L N 1.597 122.680 121.223 -0.233 0.000 2.461 81 L HA 0.206 4.547 4.340 0.001 0.000 0.272 81 L C 1.437 178.184 176.870 -0.205 0.000 1.197 81 L CA -0.060 54.618 54.840 -0.269 0.000 0.836 81 L CB 0.279 42.090 42.059 -0.413 0.000 1.105 81 L HN 0.615 nan 8.230 nan 0.000 0.477 82 T N -1.275 113.177 114.554 -0.170 0.000 2.938 82 T HA 0.299 4.650 4.350 0.001 0.000 0.285 82 T C 0.872 175.470 174.700 -0.171 0.000 1.028 82 T CA -0.859 61.157 62.100 -0.140 0.000 1.005 82 T CB 1.761 70.576 68.868 -0.088 0.000 1.157 82 T HN 0.619 nan 8.240 nan 0.000 0.550 83 R N 0.205 120.617 120.500 -0.147 0.000 2.105 83 R HA -0.153 4.187 4.340 0.001 0.000 0.239 83 R C 2.207 178.441 176.300 -0.111 0.000 1.135 83 R CA 2.029 58.034 56.100 -0.159 0.000 0.967 83 R CB -0.354 29.888 30.300 -0.096 0.000 0.861 83 R HN 0.908 nan 8.270 nan 0.000 0.442 84 E N 0.041 120.202 120.200 -0.064 0.000 2.110 84 E HA -0.207 4.143 4.350 0.001 0.000 0.193 84 E C 0.991 177.586 176.600 -0.009 0.000 0.988 84 E CA 1.596 57.982 56.400 -0.024 0.000 0.804 84 E CB 0.033 29.725 29.700 -0.014 0.000 0.745 84 E HN 0.414 nan 8.360 nan 0.000 0.458 85 D N 0.513 120.898 120.400 -0.025 0.000 2.144 85 D HA -0.139 4.502 4.640 0.001 0.000 0.200 85 D C 2.140 178.497 176.300 0.095 0.000 0.978 85 D CA 0.764 54.798 54.000 0.057 0.000 0.833 85 D CB -0.114 40.699 40.800 0.021 0.000 0.961 85 D HN 0.315 nan 8.370 nan 0.000 0.470 86 L N 0.428 121.577 121.223 -0.123 0.000 2.093 86 L HA -0.080 4.261 4.340 0.001 0.000 0.208 86 L C 2.521 179.471 176.870 0.133 0.000 1.085 86 L CA 0.598 55.273 54.840 -0.275 0.000 0.755 86 L CB -0.314 41.178 42.059 -0.945 0.000 0.904 86 L HN -0.022 nan 8.230 nan 0.000 0.435 87 I N 0.257 120.874 120.570 0.078 0.000 2.202 87 I HA -0.241 3.930 4.170 0.001 0.000 0.242 87 I C 2.833 178.961 176.117 0.018 0.000 1.091 87 I CA 1.185 62.553 61.300 0.114 0.000 1.368 87 I CB -0.460 37.591 38.000 0.085 0.000 1.058 87 I HN 0.165 nan 8.210 nan 0.000 0.410 88 A N 0.031 122.868 122.820 0.027 0.000 1.972 88 A HA -0.279 4.041 4.320 0.001 0.000 0.219 88 A C 2.286 179.862 177.584 -0.013 0.000 1.169 88 A CA 1.437 53.461 52.037 -0.022 0.000 0.635 88 A CB -1.018 17.993 19.000 0.019 0.000 0.810 88 A HN 0.540 nan 8.150 nan 0.000 0.446 89 Y N 0.706 121.002 120.300 -0.006 0.000 2.128 89 Y HA -0.232 4.318 4.550 0.001 0.000 0.284 89 Y C 1.971 177.847 175.900 -0.039 0.000 1.154 89 Y CA 2.081 60.175 58.100 -0.010 0.000 1.149 89 Y CB -0.309 38.284 38.460 0.222 0.000 0.976 89 Y HN 0.237 nan 8.280 nan 0.000 0.505 90 L N -0.377 120.878 121.223 0.053 0.000 2.017 90 L HA -0.219 4.121 4.340 0.001 0.000 0.208 90 L C 2.781 179.361 176.870 -0.485 0.000 1.073 90 L CA 1.223 55.974 54.840 -0.150 0.000 0.745 90 L CB -1.153 40.912 42.059 0.010 0.000 0.894 90 L HN 0.334 nan 8.230 nan 0.000 0.432 91 A N 0.213 122.532 122.820 -0.835 0.000 2.019 91 A HA -0.205 4.115 4.320 0.001 0.000 0.219 91 A C 2.480 179.906 177.584 -0.264 0.000 1.164 91 A CA 1.737 53.280 52.037 -0.824 0.000 0.644 91 A CB -0.635 17.992 19.000 -0.622 0.000 0.805 91 A HN 0.544 nan 8.150 nan 0.000 0.449 92 S N -0.478 115.072 115.700 -0.249 0.000 2.469 92 S HA 0.036 4.506 4.470 0.001 0.000 0.238 92 S C 1.744 176.239 174.600 -0.175 0.000 0.998 92 S CA 1.178 59.261 58.200 -0.195 0.000 0.957 92 S CB -0.758 62.293 63.200 -0.248 0.000 0.764 92 S HN 0.642 nan 8.310 nan 0.000 0.514 93 G N 0.208 108.908 108.800 -0.167 0.000 2.744 93 G HA2 0.048 4.008 3.960 0.001 0.000 0.211 93 G HA3 0.048 4.008 3.960 0.001 0.000 0.211 93 G C 0.467 175.202 174.900 -0.275 0.000 1.143 93 G CA 0.059 45.023 45.100 -0.226 0.000 0.788 93 G HN 0.590 nan 8.290 nan 0.000 0.534 94 C N 1.803 121.111 119.300 0.012 0.000 2.590 94 C HA 0.440 4.901 4.460 0.001 0.000 0.411 94 C C 0.685 175.696 174.990 0.035 0.000 1.420 94 C CA -0.461 58.629 59.018 0.119 0.000 1.643 94 C CB -0.981 26.910 27.740 0.252 0.000 2.528 94 C HN 0.590 nan 8.230 nan 0.000 0.606 95 K N 1.802 122.251 120.400 0.082 0.000 2.508 95 K HA 0.613 4.934 4.320 0.001 0.000 0.260 95 K C -0.524 176.206 176.600 0.217 0.000 0.949 95 K CA -0.363 55.993 56.287 0.115 0.000 0.834 95 K CB 1.274 33.821 32.500 0.078 0.000 1.365 95 K HN 0.578 nan 8.250 nan 0.000 0.437 96 S N 0.447 116.173 115.700 0.044 0.000 2.584 96 S HA 0.019 4.490 4.470 0.001 0.000 0.270 96 S C 1.071 175.395 174.600 -0.460 0.000 1.346 96 S CA -0.298 57.837 58.200 -0.107 0.000 1.018 96 S CB 1.423 64.551 63.200 -0.120 0.000 0.899 96 S HN 0.880 nan 8.310 nan 0.000 0.542 97 K N 1.210 121.088 120.400 -0.870 0.000 2.113 97 K HA -0.201 4.119 4.320 0.001 0.000 0.208 97 K C 2.083 178.043 176.600 -1.068 0.000 1.047 97 K CA 1.804 56.993 56.287 -1.830 0.000 0.928 97 K CB -0.254 31.428 32.500 -1.363 0.000 0.716 97 K HN 0.843 nan 8.250 nan 0.000 0.446 98 E N 0.811 120.689 120.200 -0.537 0.000 2.338 98 E HA -0.183 4.168 4.350 0.001 0.000 0.197 98 E C 0.693 177.187 176.600 -0.176 0.000 1.007 98 E CA 1.029 57.260 56.400 -0.281 0.000 0.849 98 E CB 0.083 29.675 29.700 -0.180 0.000 0.774 98 E HN 0.317 nan 8.360 nan 0.000 0.506 99 K N 0.142 120.434 120.400 -0.180 0.000 2.374 99 K HA 0.073 4.394 4.320 0.001 0.000 0.196 99 K C -0.030 176.629 176.600 0.099 0.000 1.023 99 K CA -0.256 56.009 56.287 -0.036 0.000 1.103 99 K CB 0.148 32.639 32.500 -0.015 0.000 0.848 99 K HN 0.066 nan 8.250 nan 0.000 0.528 100 W N 2.666 123.888 121.300 -0.129 0.000 2.210 100 W HA 0.132 4.792 4.660 0.001 0.000 0.330 100 W C 0.876 177.386 176.519 -0.015 0.000 1.334 100 W CA -0.465 56.790 57.345 -0.150 0.000 1.227 100 W CB 0.148 29.316 29.460 -0.487 0.000 1.178 100 W HN -0.125 nan 8.180 nan 0.000 0.560 101 R N 2.246 122.910 120.500 0.274 0.000 2.930 101 R HA 0.668 5.008 4.340 0.001 0.000 0.257 101 R C -0.884 175.517 176.300 0.168 0.000 1.107 101 R CA -1.458 54.748 56.100 0.177 0.000 0.999 101 R CB 1.227 31.552 30.300 0.042 0.000 1.209 101 R HN 0.393 nan 8.270 nan 0.000 0.486 102 I N 0.118 120.717 120.570 0.048 0.000 2.418 102 I HA 0.431 4.602 4.170 0.001 0.000 0.287 102 I C 0.300 176.363 176.117 -0.090 0.000 1.008 102 I CA -0.677 60.599 61.300 -0.041 0.000 1.104 102 I CB 2.252 40.221 38.000 -0.052 0.000 1.264 102 I HN 0.546 nan 8.210 nan 0.000 0.438 103 G N 3.527 112.246 108.800 -0.136 0.000 2.478 103 G HA2 0.663 4.623 3.960 0.001 0.000 0.317 103 G HA3 0.663 4.623 3.960 0.001 0.000 0.317 103 G C -0.822 174.005 174.900 -0.122 0.000 1.259 103 G CA -0.298 44.710 45.100 -0.153 0.000 0.933 103 G HN 0.429 nan 8.290 nan 0.000 0.478 104 T N 2.168 116.671 114.554 -0.086 0.000 2.824 104 T HA 0.511 4.862 4.350 0.001 0.000 0.282 104 T C -0.558 174.123 174.700 -0.033 0.000 0.993 104 T CA -0.475 61.596 62.100 -0.047 0.000 0.967 104 T CB 1.872 70.725 68.868 -0.025 0.000 0.960 104 T HN 0.558 nan 8.240 nan 0.000 0.441 105 E N 1.927 122.116 120.200 -0.019 0.000 2.266 105 E HA 0.564 4.915 4.350 0.001 0.000 0.268 105 E C -0.963 175.658 176.600 0.035 0.000 0.879 105 E CA -1.002 55.372 56.400 -0.043 0.000 0.762 105 E CB 1.931 31.599 29.700 -0.054 0.000 1.199 105 E HN 0.874 nan 8.360 nan 0.000 0.422 106 H N -0.660 118.373 119.070 -0.061 0.000 3.016 106 H HA 0.545 5.101 4.556 0.001 0.000 0.362 106 H C -1.283 174.020 175.328 -0.042 0.000 1.233 106 H CA -0.996 55.037 56.048 -0.026 0.000 1.124 106 H CB 1.377 31.146 29.762 0.011 0.000 1.850 106 H HN 0.286 nan 8.280 nan 0.000 0.549 107 E N 1.082 121.301 120.200 0.032 0.000 2.256 107 E HA 0.497 4.848 4.350 0.001 0.000 0.267 107 E C -1.116 175.534 176.600 0.083 0.000 0.892 107 E CA -1.274 55.109 56.400 -0.027 0.000 0.775 107 E CB 2.555 32.213 29.700 -0.071 0.000 1.207 107 E HN 0.557 nan 8.360 nan 0.000 0.420 108 K N 1.330 121.789 120.400 0.098 0.000 2.469 108 K HA 0.459 4.780 4.320 0.001 0.000 0.254 108 K C -1.233 175.497 176.600 0.216 0.000 0.939 108 K CA -0.836 55.591 56.287 0.234 0.000 0.812 108 K CB 1.522 34.254 32.500 0.386 0.000 1.301 108 K HN 0.248 nan 8.250 nan 0.000 0.433 109 F N 1.029 121.275 119.950 0.495 0.000 2.411 109 F HA 0.340 4.868 4.527 0.001 0.000 0.350 109 F C 1.160 177.217 175.800 0.428 0.000 1.114 109 F CA -0.337 57.910 58.000 0.411 0.000 1.135 109 F CB 1.211 40.409 39.000 0.329 0.000 1.120 109 F HN 0.585 nan 8.300 nan 0.000 0.495 110 G N 3.366 112.386 108.800 0.366 0.000 2.377 110 G HA2 0.568 4.528 3.960 0.001 0.000 0.299 110 G HA3 0.568 4.528 3.960 0.001 0.000 0.299 110 G C -1.432 173.471 174.900 0.005 0.000 1.150 110 G CA -0.409 44.499 45.100 -0.320 0.000 0.847 110 G HN 0.579 nan 8.290 nan 0.000 0.501 111 F N -1.084 118.731 119.950 -0.226 0.000 2.645 111 F HA 0.597 5.125 4.527 0.001 0.000 0.310 111 F C -0.404 175.305 175.800 -0.152 0.000 1.102 111 F CA -1.525 56.420 58.000 -0.091 0.000 0.952 111 F CB 1.262 40.325 39.000 0.106 0.000 1.326 111 F HN 0.408 nan 8.300 nan 0.000 0.456 112 E N 1.696 121.921 120.200 0.043 0.000 2.257 112 E HA 0.184 4.535 4.350 0.001 0.000 0.278 112 E C 0.603 177.281 176.600 0.130 0.000 1.049 112 E CA -0.333 56.051 56.400 -0.027 0.000 0.876 112 E CB 2.078 31.758 29.700 -0.034 0.000 1.035 112 E HN 0.644 nan 8.360 nan 0.000 0.419 113 V N 3.882 123.804 119.914 0.013 0.000 2.469 113 V HA -0.283 3.837 4.120 0.001 0.000 0.251 113 V C 1.607 177.763 176.094 0.103 0.000 1.064 113 V CA 1.631 64.016 62.300 0.142 0.000 1.066 113 V CB -0.363 31.476 31.823 0.027 0.000 0.667 113 V HN 0.600 nan 8.190 nan 0.000 0.461 114 N N 0.105 118.824 118.700 0.032 0.000 2.251 114 N HA -0.074 4.667 4.740 0.001 0.000 0.181 114 N C 2.012 177.515 175.510 -0.012 0.000 1.019 114 N CA 1.861 54.912 53.050 0.003 0.000 0.862 114 N CB -0.148 38.333 38.487 -0.011 0.000 0.992 114 N HN 0.682 nan 8.380 nan 0.000 0.429 115 T N -1.784 112.769 114.554 -0.002 0.000 3.022 115 T HA 0.262 4.612 4.350 0.001 0.000 0.250 115 T C 1.072 175.785 174.700 0.021 0.000 1.060 115 T CA -0.033 62.071 62.100 0.008 0.000 1.013 115 T CB 0.215 69.089 68.868 0.011 0.000 0.982 115 T HN 0.171 nan 8.240 nan 0.000 0.508 116 L N -0.907 120.295 121.223 -0.035 0.000 4.884 116 L HA -0.189 4.151 4.340 0.001 0.000 0.430 116 L C 0.571 177.512 176.870 0.119 0.000 1.087 116 L CA 0.283 54.983 54.840 -0.233 0.000 1.033 116 L CB -1.688 39.891 42.059 -0.799 0.000 2.030 116 L HN 0.370 nan 8.230 nan 0.000 0.762 117 R N 1.022 121.565 120.500 0.072 0.000 2.643 117 R HA 0.261 4.602 4.340 0.001 0.000 0.270 117 R C -1.816 174.356 176.300 -0.213 0.000 1.061 117 R CA -1.285 54.632 56.100 -0.305 0.000 1.107 117 R CB 0.404 30.473 30.300 -0.385 0.000 0.999 117 R HN -0.079 nan 8.270 nan 0.000 0.460 121 Y N 2.575 122.882 120.300 0.013 0.000 2.165 121 Y HA -0.263 4.287 4.550 0.001 0.000 0.286 121 Y C 1.919 177.834 175.900 0.026 0.000 1.155 121 Y CA 2.800 60.921 58.100 0.035 0.000 1.164 121 Y CB -0.053 38.428 38.460 0.035 0.000 0.978 121 Y HN 0.797 nan 8.280 nan 0.000 0.513 122 D N -0.430 119.874 120.400 -0.160 0.000 2.178 122 D HA -0.231 4.409 4.640 0.001 0.000 0.201 122 D C 1.620 177.786 176.300 -0.224 0.000 0.980 122 D CA 1.815 55.685 54.000 -0.217 0.000 0.842 122 D CB -0.734 40.032 40.800 -0.055 0.000 0.948 122 D HN 0.578 nan 8.370 nan 0.000 0.472 123 Q N -0.142 119.559 119.800 -0.164 0.000 2.123 123 Q HA 0.075 4.415 4.340 0.001 0.000 0.199 123 Q C 2.620 178.530 176.000 -0.150 0.000 0.966 123 Q CA 0.640 56.358 55.803 -0.142 0.000 0.845 123 Q CB 0.048 28.714 28.738 -0.121 0.000 0.907 123 Q HN 0.343 nan 8.270 nan 0.000 0.439 124 I N 0.928 121.405 120.570 -0.156 0.000 2.226 124 I HA -0.286 3.884 4.170 0.001 0.000 0.245 124 I C 2.428 178.468 176.117 -0.128 0.000 1.100 124 I CA 1.050 62.310 61.300 -0.068 0.000 1.374 124 I CB -0.349 37.683 38.000 0.053 0.000 1.057 124 I HN 0.165 nan 8.210 nan 0.000 0.413 125 A N 0.134 122.720 122.820 -0.390 0.000 1.877 125 A HA -0.282 4.038 4.320 0.001 0.000 0.216 125 A C 2.337 179.835 177.584 -0.143 0.000 1.186 125 A CA 2.023 53.863 52.037 -0.328 0.000 0.620 125 A CB -0.694 17.987 19.000 -0.532 0.000 0.822 125 A HN 0.508 nan 8.150 nan 0.000 0.443 126 E N -0.623 119.492 120.200 -0.142 0.000 2.051 126 E HA -0.216 4.134 4.350 0.001 0.000 0.192 126 E C 1.936 178.499 176.600 -0.060 0.000 0.991 126 E CA 1.400 57.748 56.400 -0.087 0.000 0.799 126 E CB -0.217 29.429 29.700 -0.090 0.000 0.748 126 E HN 0.405 nan 8.360 nan 0.000 0.449 127 L N 1.191 122.377 121.223 -0.062 0.000 1.990 127 L HA -0.217 4.124 4.340 0.001 0.000 0.213 127 L C 2.272 179.152 176.870 0.016 0.000 1.072 127 L CA 1.726 56.541 54.840 -0.041 0.000 0.755 127 L CB -0.743 41.267 42.059 -0.081 0.000 0.889 127 L HN 0.249 nan 8.230 nan 0.000 0.432 128 L N -0.702 120.559 121.223 0.064 0.000 2.017 128 L HA -0.255 4.085 4.340 0.001 0.000 0.208 128 L C 2.230 179.113 176.870 0.022 0.000 1.073 128 L CA 1.939 56.818 54.840 0.064 0.000 0.745 128 L CB -0.761 41.343 42.059 0.074 0.000 0.894 128 L HN 0.406 nan 8.230 nan 0.000 0.432 129 N N -0.840 117.866 118.700 0.011 0.000 2.104 129 N HA -0.171 4.569 4.740 0.001 0.000 0.190 129 N C 1.950 177.462 175.510 0.004 0.000 1.024 129 N CA 1.477 54.533 53.050 0.011 0.000 0.853 129 N CB -0.049 38.437 38.487 -0.003 0.000 1.008 129 N HN 0.140 nan 8.380 nan 0.000 0.424 130 S N 0.370 116.061 115.700 -0.015 0.000 2.368 130 S HA 0.019 4.490 4.470 0.001 0.000 0.224 130 S C 1.912 176.492 174.600 -0.034 0.000 1.029 130 S CA 0.624 58.802 58.200 -0.037 0.000 0.988 130 S CB -0.155 63.016 63.200 -0.048 0.000 0.838 130 S HN 0.241 nan 8.310 nan 0.000 0.462 131 I N 1.728 122.309 120.570 0.019 0.000 2.163 131 I HA -0.254 3.917 4.170 0.001 0.000 0.243 131 I C 2.707 178.925 176.117 0.169 0.000 1.085 131 I CA 1.197 62.563 61.300 0.109 0.000 1.347 131 I CB -0.537 37.450 38.000 -0.022 0.000 1.044 131 I HN 0.264 nan 8.210 nan 0.000 0.408 132 A N 0.240 123.133 122.820 0.122 0.000 1.908 132 A HA -0.294 4.027 4.320 0.001 0.000 0.218 132 A C 2.317 180.014 177.584 0.188 0.000 1.181 132 A CA 2.217 54.398 52.037 0.240 0.000 0.627 132 A CB -0.665 18.432 19.000 0.161 0.000 0.818 132 A HN 0.536 nan 8.150 nan 0.000 0.445 133 E N -0.741 119.501 120.200 0.070 0.000 2.072 133 E HA -0.134 4.217 4.350 0.001 0.000 0.190 133 E C 2.303 178.869 176.600 -0.056 0.000 0.982 133 E CA 0.775 57.182 56.400 0.011 0.000 0.803 133 E CB -0.057 29.632 29.700 -0.019 0.000 0.755 133 E HN 0.573 nan 8.360 nan 0.000 0.453 134 R N -0.992 119.394 120.500 -0.190 0.000 2.090 134 R HA -0.031 4.309 4.340 0.001 0.000 0.228 134 R C 0.995 177.030 176.300 -0.442 0.000 1.110 134 R CA 1.055 56.864 56.100 -0.484 0.000 0.973 134 R CB 0.095 29.757 30.300 -1.063 0.000 0.869 134 R HN 0.196 nan 8.270 nan 0.000 0.440 135 F N 0.419 120.498 119.950 0.214 0.000 2.683 135 F HA 0.255 4.782 4.527 0.001 0.000 0.306 135 F C -0.361 175.583 175.800 0.240 0.000 1.102 135 F CA -0.635 57.528 58.000 0.273 0.000 1.244 135 F CB 0.159 39.410 39.000 0.419 0.000 1.029 135 F HN -0.102 nan 8.300 nan 0.000 0.545 136 E N -0.492 119.894 120.200 0.311 0.000 2.260 136 E HA -0.228 4.122 4.350 0.001 0.000 0.204 136 E C -1.372 175.260 176.600 0.053 0.000 1.319 136 E CA 0.180 56.668 56.400 0.146 0.000 0.679 136 E CB -1.392 28.338 29.700 0.050 0.000 1.158 136 E HN 0.368 nan 8.360 nan 0.000 0.376 137 W N 1.000 122.353 121.300 0.088 0.000 2.606 137 W HA 0.327 4.987 4.660 0.001 0.000 0.332 137 W C 0.626 177.174 176.519 0.050 0.000 1.052 137 W CA -0.662 56.726 57.345 0.072 0.000 1.223 137 W CB 0.864 30.378 29.460 0.090 0.000 1.383 137 W HN 0.131 nan 8.180 nan 0.000 0.524 138 E N 3.219 123.571 120.200 0.253 0.000 2.338 138 E HA 0.148 4.499 4.350 0.001 0.000 0.272 138 E C -0.494 176.215 176.600 0.181 0.000 1.029 138 E CA -0.335 56.162 56.400 0.163 0.000 0.872 138 E CB 0.662 30.421 29.700 0.098 0.000 1.015 138 E HN 0.328 nan 8.360 nan 0.000 0.417 139 K N 2.748 123.226 120.400 0.130 0.000 2.322 139 K HA 0.215 4.536 4.320 0.001 0.000 0.283 139 K C -0.377 176.275 176.600 0.085 0.000 1.042 139 K CA -0.544 55.806 56.287 0.105 0.000 0.958 139 K CB 1.478 34.029 32.500 0.085 0.000 0.984 139 K HN 0.293 nan 8.250 nan 0.000 0.473 143 G N 4.759 113.582 108.800 0.038 0.000 2.591 143 G HA2 -0.384 3.577 3.960 0.001 0.000 0.298 143 G HA3 -0.384 3.577 3.960 0.001 0.000 0.298 143 G C 0.501 175.420 174.900 0.033 0.000 1.195 143 G CA 0.599 45.714 45.100 0.026 0.000 0.989 143 G HN 0.789 nan 8.290 nan 0.000 0.551 144 D N 1.081 121.500 120.400 0.031 0.000 2.342 144 D HA 0.146 4.787 4.640 0.001 0.000 0.221 144 D C 0.252 176.594 176.300 0.070 0.000 1.101 144 D CA 0.358 54.385 54.000 0.045 0.000 0.837 144 D CB 0.126 40.949 40.800 0.038 0.000 0.938 144 D HN 0.306 nan 8.370 nan 0.000 0.508 145 K N 1.278 121.721 120.400 0.072 0.000 2.235 145 K HA 0.333 4.654 4.320 0.001 0.000 0.266 145 K C -0.009 176.681 176.600 0.151 0.000 0.980 145 K CA -0.930 55.437 56.287 0.133 0.000 0.849 145 K CB 2.478 34.990 32.500 0.020 0.000 1.098 145 K HN 0.176 nan 8.250 nan 0.000 0.445 146 I N 4.609 125.301 120.570 0.204 0.000 2.556 146 I HA -0.011 4.159 4.170 0.001 0.000 0.284 146 I C 0.891 177.141 176.117 0.221 0.000 1.114 146 I CA 0.158 61.555 61.300 0.162 0.000 1.418 146 I CB 0.370 38.438 38.000 0.113 0.000 1.394 146 I HN 0.677 nan 8.210 nan 0.000 0.552 147 I N 4.721 125.372 120.570 0.136 0.000 4.439 147 I HA 0.639 4.809 4.170 0.001 0.000 0.331 147 I C 0.440 176.586 176.117 0.049 0.000 1.345 147 I CA -0.150 61.223 61.300 0.122 0.000 1.193 147 I CB 0.423 38.456 38.000 0.055 0.000 1.221 147 I HN 0.581 nan 8.210 nan 0.000 0.429 148 G N 1.217 110.033 108.800 0.026 0.000 2.430 148 G HA2 0.655 4.615 3.960 0.001 0.000 0.300 148 G HA3 0.655 4.615 3.960 0.001 0.000 0.300 148 G C -2.008 172.890 174.900 -0.004 0.000 1.330 148 G CA -0.732 44.347 45.100 -0.034 0.000 0.813 148 G HN 0.070 nan 8.290 nan 0.000 0.487 149 L N -0.556 120.658 121.223 -0.015 0.000 2.415 149 L HA 0.757 5.097 4.340 0.001 0.000 0.256 149 L C -0.546 176.487 176.870 0.271 0.000 1.010 149 L CA -0.942 53.968 54.840 0.117 0.000 0.826 149 L CB 2.886 44.942 42.059 -0.005 0.000 1.405 149 L HN 0.578 nan 8.230 nan 0.000 0.410 150 K N 1.649 122.298 120.400 0.414 0.000 2.468 150 K HA 0.502 4.823 4.320 0.001 0.000 0.252 150 K C -1.696 175.028 176.600 0.206 0.000 0.932 150 K CA -0.546 55.925 56.287 0.307 0.000 0.794 150 K CB 2.367 34.950 32.500 0.138 0.000 1.241 150 K HN 0.634 nan 8.250 nan 0.000 0.428 151 Q N 2.948 122.699 119.800 -0.083 0.000 2.334 151 Q HA 0.305 4.646 4.340 0.001 0.000 0.249 151 Q C -0.026 175.799 176.000 -0.292 0.000 0.909 151 Q CA 0.222 55.767 55.803 -0.429 0.000 0.823 151 Q CB 1.472 29.436 28.738 -1.290 0.000 1.353 151 Q HN 0.937 nan 8.270 nan 0.000 0.433 152 G N 3.618 112.311 108.800 -0.178 0.000 2.622 152 G HA2 -0.386 3.575 3.960 0.001 0.000 0.307 152 G HA3 -0.386 3.575 3.960 0.001 0.000 0.307 152 G C 0.183 175.033 174.900 -0.083 0.000 1.226 152 G CA 0.607 45.635 45.100 -0.121 0.000 0.997 152 G HN 0.615 nan 8.290 nan 0.000 0.551 153 K N 1.328 121.681 120.400 -0.078 0.000 2.446 153 K HA 0.244 4.565 4.320 0.001 0.000 0.203 153 K C 0.914 177.487 176.600 -0.045 0.000 1.027 153 K CA 0.128 56.381 56.287 -0.057 0.000 1.166 153 K CB 0.396 32.859 32.500 -0.062 0.000 0.869 153 K HN 0.474 nan 8.250 nan 0.000 0.504 154 Q N 0.166 119.943 119.800 -0.039 0.000 2.235 154 Q HA 0.376 4.717 4.340 0.001 0.000 0.256 154 Q C -0.762 175.321 176.000 0.139 0.000 0.951 154 Q CA -0.523 55.300 55.803 0.033 0.000 0.890 154 Q CB 2.221 30.993 28.738 0.057 0.000 1.279 154 Q HN -0.016 nan 8.270 nan 0.000 0.444 155 S N 1.403 117.183 115.700 0.133 0.000 2.549 155 S HA 0.599 5.069 4.470 0.001 0.000 0.280 155 S C -0.694 173.899 174.600 -0.012 0.000 1.109 155 S CA -0.666 57.610 58.200 0.125 0.000 0.905 155 S CB 1.185 64.401 63.200 0.026 0.000 1.081 155 S HN 0.433 nan 8.310 nan 0.000 0.477 156 I N 2.679 123.184 120.570 -0.109 0.000 2.378 156 I HA 0.530 4.701 4.170 0.001 0.000 0.291 156 I C 0.151 176.087 176.117 -0.302 0.000 0.992 156 I CA -0.099 60.990 61.300 -0.352 0.000 1.154 156 I CB 1.754 39.424 38.000 -0.551 0.000 1.315 156 I HN 0.807 nan 8.210 nan 0.000 0.448 157 S N 6.481 121.980 115.700 -0.334 0.000 2.732 157 S HA 0.795 5.266 4.470 0.001 0.000 0.293 157 S C -0.979 173.484 174.600 -0.228 0.000 1.159 157 S CA -0.957 57.118 58.200 -0.209 0.000 0.847 157 S CB 1.807 64.954 63.200 -0.089 0.000 1.169 157 S HN 0.414 nan 8.310 nan 0.000 0.501 158 L N 1.269 122.462 121.223 -0.049 0.000 2.341 158 L HA 0.600 4.941 4.340 0.001 0.000 0.278 158 L C 0.073 177.047 176.870 0.174 0.000 1.005 158 L CA -0.795 54.079 54.840 0.058 0.000 0.818 158 L CB 1.640 43.788 42.059 0.149 0.000 1.259 158 L HN 0.648 nan 8.230 nan 0.000 0.418 159 E N 2.728 122.989 120.200 0.101 0.000 2.342 159 E HA 0.202 4.552 4.350 0.001 0.000 0.257 159 E C -1.704 174.837 176.600 -0.098 0.000 1.150 159 E CA -1.765 54.633 56.400 -0.003 0.000 0.926 159 E CB 0.801 30.470 29.700 -0.052 0.000 1.074 159 E HN 0.299 nan 8.360 nan 0.000 0.449 160 P HA -0.105 nan 4.420 nan 0.000 0.217 160 P C 0.902 178.141 177.300 -0.100 0.000 1.148 160 P CA 1.370 64.185 63.100 -0.475 0.000 0.828 160 P CB 0.187 31.488 31.700 -0.665 0.000 0.783 161 G N -2.064 106.708 108.800 -0.046 0.000 3.284 161 G HA2 0.345 4.305 3.960 0.001 0.000 0.236 161 G HA3 0.345 4.305 3.960 0.001 0.000 0.236 161 G C 0.978 175.951 174.900 0.122 0.000 1.158 161 G CA 0.266 45.392 45.100 0.044 0.000 0.774 161 G HN 0.393 nan 8.290 nan 0.000 0.545 162 G N -0.521 108.364 108.800 0.143 0.000 2.157 162 G HA2 -0.258 3.702 3.960 0.001 0.000 0.248 162 G HA3 -0.258 3.702 3.960 0.001 0.000 0.248 162 G C 0.281 175.341 174.900 0.267 0.000 0.979 162 G CA 0.001 45.231 45.100 0.216 0.000 0.650 162 G HN 0.600 nan 8.290 nan 0.000 0.529 163 Q N -0.635 119.285 119.800 0.199 0.000 2.286 163 Q HA 0.508 4.849 4.340 0.001 0.000 0.290 163 Q C -0.142 175.975 176.000 0.194 0.000 1.049 163 Q CA 0.109 56.011 55.803 0.164 0.000 0.923 163 Q CB 0.481 29.202 28.738 -0.028 0.000 1.183 163 Q HN 0.307 nan 8.270 nan 0.000 0.383 164 F N 2.221 122.221 119.950 0.083 0.000 2.350 164 F HA 0.205 4.733 4.527 0.001 0.000 0.365 164 F C 0.060 175.810 175.800 -0.084 0.000 1.122 164 F CA -0.435 57.593 58.000 0.046 0.000 1.139 164 F CB 0.676 39.754 39.000 0.130 0.000 1.220 164 F HN 0.487 nan 8.300 nan 0.000 0.499 165 E N 5.658 125.645 120.200 -0.355 0.000 2.171 165 E HA 0.430 4.780 4.350 0.001 0.000 0.271 165 E C -1.836 174.447 176.600 -0.528 0.000 0.916 165 E CA -1.074 55.102 56.400 -0.374 0.000 0.774 165 E CB 1.629 31.189 29.700 -0.232 0.000 1.128 165 E HN 0.610 nan 8.360 nan 0.000 0.403 166 L N 3.410 124.203 121.223 -0.716 0.000 2.296 166 L HA 0.417 4.757 4.340 0.001 0.000 0.286 166 L C -1.223 175.409 176.870 -0.396 0.000 1.023 166 L CA -0.142 54.299 54.840 -0.666 0.000 0.812 166 L CB 1.777 43.246 42.059 -0.984 0.000 1.223 166 L HN 0.395 nan 8.230 nan 0.000 0.421 167 S N 3.801 119.362 115.700 -0.232 0.000 2.448 167 S HA 0.711 5.181 4.470 0.001 0.000 0.320 167 S C 0.345 174.888 174.600 -0.096 0.000 1.071 167 S CA -0.482 57.636 58.200 -0.136 0.000 1.113 167 S CB 1.068 64.216 63.200 -0.087 0.000 0.972 167 S HN 0.929 nan 8.310 nan 0.000 0.465 168 G N 1.757 110.505 108.800 -0.086 0.000 2.616 168 G HA2 0.598 4.559 3.960 0.001 0.000 0.268 168 G HA3 0.598 4.559 3.960 0.001 0.000 0.268 168 G C 0.080 174.940 174.900 -0.067 0.000 1.213 168 G CA -0.637 44.429 45.100 -0.057 0.000 0.926 168 G HN 0.910 nan 8.290 nan 0.000 0.523 169 A N 0.029 122.814 122.820 -0.058 0.000 2.272 169 A HA 0.666 4.986 4.320 0.001 0.000 0.275 169 A C -2.269 175.264 177.584 -0.084 0.000 1.096 169 A CA -1.115 50.879 52.037 -0.071 0.000 0.822 169 A CB 0.289 19.252 19.000 -0.061 0.000 1.088 169 A HN 0.444 nan 8.150 nan 0.000 0.495 170 P HA 0.390 nan 4.420 nan 0.000 0.276 170 P C -1.041 176.226 177.300 -0.055 0.000 1.264 170 P CA 0.408 63.455 63.100 -0.088 0.000 0.769 170 P CB 0.296 31.939 31.700 -0.095 0.000 0.840 171 L N 2.123 123.318 121.223 -0.047 0.000 2.319 171 L HA 0.393 4.733 4.340 0.001 0.000 0.267 171 L C 1.681 178.538 176.870 -0.022 0.000 1.011 171 L CA -0.621 54.195 54.840 -0.039 0.000 0.818 171 L CB 2.049 44.079 42.059 -0.049 0.000 1.316 171 L HN 0.308 nan 8.230 nan 0.000 0.432 172 E N -0.047 120.128 120.200 -0.042 0.000 2.140 172 E HA -0.041 4.309 4.350 0.001 0.000 0.191 172 E C 0.219 176.740 176.600 -0.132 0.000 0.973 172 E CA 0.760 57.128 56.400 -0.053 0.000 0.829 172 E CB 0.540 30.192 29.700 -0.080 0.000 0.781 172 E HN 0.744 nan 8.360 nan 0.000 0.466 173 T N -3.136 111.309 114.554 -0.182 0.000 2.916 173 T HA 0.322 4.672 4.350 0.001 0.000 0.292 173 T C 0.922 175.529 174.700 -0.155 0.000 1.055 173 T CA -0.749 61.210 62.100 -0.235 0.000 1.009 173 T CB 1.332 69.996 68.868 -0.338 0.000 1.118 173 T HN 0.018 nan 8.240 nan 0.000 0.497 174 L N 0.705 121.800 121.223 -0.213 0.000 2.291 174 L HA 0.011 4.352 4.340 0.001 0.000 0.214 174 L C 2.642 179.293 176.870 -0.364 0.000 1.120 174 L CA 0.694 55.317 54.840 -0.363 0.000 0.799 174 L CB -0.631 41.152 42.059 -0.460 0.000 0.925 174 L HN 0.742 nan 8.230 nan 0.000 0.446 175 H N 0.230 119.383 119.070 0.138 0.000 2.353 175 H HA -0.159 4.398 4.556 0.001 0.000 0.300 175 H C 2.157 177.544 175.328 0.098 0.000 1.090 175 H CA 1.465 57.671 56.048 0.264 0.000 1.327 175 H CB -0.199 29.691 29.762 0.213 0.000 1.383 175 H HN 0.501 nan 8.280 nan 0.000 0.508 176 Q N -0.075 119.798 119.800 0.121 0.000 2.079 176 Q HA -0.090 4.251 4.340 0.001 0.000 0.200 176 Q C 2.289 178.291 176.000 0.003 0.000 0.974 176 Q CA 1.687 57.516 55.803 0.044 0.000 0.840 176 Q CB -0.088 28.651 28.738 0.000 0.000 0.898 176 Q HN 0.344 nan 8.270 nan 0.000 0.430 177 T N 0.401 114.921 114.554 -0.057 0.000 2.652 177 T HA -0.232 4.118 4.350 0.001 0.000 0.267 177 T C 1.949 176.620 174.700 -0.048 0.000 1.039 177 T CA 1.306 63.355 62.100 -0.085 0.000 1.153 177 T CB -0.571 68.193 68.868 -0.173 0.000 0.863 177 T HN 0.418 nan 8.240 nan 0.000 0.428 178 c N 1.333 119.895 118.600 -0.065 0.000 2.435 178 c HA 0.249 4.819 4.570 0.001 0.000 0.279 178 c C 3.111 177.269 174.090 0.114 0.000 1.321 178 c CA 0.387 56.757 56.329 0.067 0.000 1.752 178 c CB -1.487 41.135 42.510 0.185 0.000 1.959 178 c HN 0.619 nan 8.230 nan 0.000 0.500 179 A N -0.171 122.710 122.820 0.100 0.000 1.933 179 A HA -0.211 4.109 4.320 0.001 0.000 0.218 179 A C 2.149 179.759 177.584 0.043 0.000 1.175 179 A CA 1.881 53.957 52.037 0.064 0.000 0.628 179 A CB -0.746 18.291 19.000 0.062 0.000 0.814 179 A HN 0.782 nan 8.150 nan 0.000 0.444 180 E N -0.104 120.123 120.200 0.044 0.000 2.051 180 E HA -0.135 4.216 4.350 0.001 0.000 0.192 180 E C 1.877 178.531 176.600 0.091 0.000 0.991 180 E CA 1.466 57.898 56.400 0.053 0.000 0.799 180 E CB -0.144 29.574 29.700 0.030 0.000 0.748 180 E HN 0.307 nan 8.360 nan 0.000 0.449 181 V N 2.358 122.326 119.914 0.091 0.000 2.255 181 V HA -0.320 3.801 4.120 0.001 0.000 0.247 181 V C 2.547 178.701 176.094 0.100 0.000 1.051 181 V CA 2.132 64.506 62.300 0.122 0.000 1.018 181 V CB -0.895 30.992 31.823 0.106 0.000 0.641 181 V HN 0.473 nan 8.190 nan 0.000 0.445 182 N N -0.127 118.594 118.700 0.035 0.000 2.069 182 N HA -0.220 4.521 4.740 0.001 0.000 0.191 182 N C 2.165 177.679 175.510 0.008 0.000 1.031 182 N CA 1.980 55.003 53.050 -0.044 0.000 0.852 182 N CB -0.106 38.312 38.487 -0.116 0.000 1.018 182 N HN 0.449 nan 8.380 nan 0.000 0.423 183 S N -0.272 115.449 115.700 0.034 0.000 2.370 183 S HA -0.235 4.236 4.470 0.001 0.000 0.226 183 S C 1.984 176.631 174.600 0.080 0.000 1.033 183 S CA 1.729 59.955 58.200 0.043 0.000 1.011 183 S CB -0.625 62.601 63.200 0.044 0.000 0.852 183 S HN 0.618 nan 8.310 nan 0.000 0.457 184 H N 0.979 120.062 119.070 0.022 0.000 2.321 184 H HA 0.094 4.651 4.556 0.001 0.000 0.300 184 H C 1.958 177.239 175.328 -0.078 0.000 1.087 184 H CA 2.118 58.166 56.048 -0.001 0.000 1.319 184 H CB -0.537 29.250 29.762 0.042 0.000 1.379 184 H HN 0.380 nan 8.280 nan 0.000 0.501 185 L N -0.746 120.391 121.223 -0.144 0.000 2.083 185 L HA -0.194 4.146 4.340 0.001 0.000 0.209 185 L C 2.280 179.026 176.870 -0.206 0.000 1.083 185 L CA 1.490 56.178 54.840 -0.253 0.000 0.752 185 L CB -0.640 41.348 42.059 -0.118 0.000 0.899 185 L HN 0.352 nan 8.230 nan 0.000 0.433 186 Y N 0.971 121.153 120.300 -0.196 0.000 2.145 186 Y HA -0.288 4.263 4.550 0.001 0.000 0.286 186 Y C 2.707 178.480 175.900 -0.213 0.000 1.145 186 Y CA 1.668 59.666 58.100 -0.171 0.000 1.148 186 Y CB -0.248 38.115 38.460 -0.161 0.000 0.981 186 Y HN 0.161 nan 8.280 nan 0.000 0.507 187 Q N -0.730 118.817 119.800 -0.422 0.000 2.084 187 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 187 Q C 2.371 178.193 176.000 -0.297 0.000 0.978 187 Q CA 1.943 57.409 55.803 -0.561 0.000 0.844 187 Q CB -0.381 28.001 28.738 -0.595 0.000 0.898 187 Q HN 0.409 nan 8.270 nan 0.000 0.426 188 V N 1.351 121.020 119.914 -0.409 0.000 2.261 188 V HA -0.289 3.832 4.120 0.001 0.000 0.246 188 V C 2.037 177.975 176.094 -0.260 0.000 1.047 188 V CA 1.987 64.038 62.300 -0.415 0.000 1.015 188 V CB -0.378 30.975 31.823 -0.782 0.000 0.642 188 V HN 0.299 nan 8.190 nan 0.000 0.446 189 K N 0.070 120.311 120.400 -0.265 0.000 2.148 189 K HA -0.048 4.273 4.320 0.001 0.000 0.204 189 K C 2.235 178.725 176.600 -0.185 0.000 1.050 189 K CA 1.256 57.451 56.287 -0.153 0.000 0.942 189 K CB -0.414 32.018 32.500 -0.114 0.000 0.724 189 K HN 0.474 nan 8.250 nan 0.000 0.446 190 A N 0.776 123.399 122.820 -0.328 0.000 1.972 190 A HA -0.125 4.195 4.320 0.001 0.000 0.219 190 A C 2.258 179.795 177.584 -0.078 0.000 1.169 190 A CA 1.472 53.360 52.037 -0.248 0.000 0.635 190 A CB -0.393 18.398 19.000 -0.348 0.000 0.810 190 A HN 0.079 nan 8.150 nan 0.000 0.446 191 V N -0.922 118.962 119.914 -0.050 0.000 2.426 191 V HA -0.023 4.098 4.120 0.001 0.000 0.242 191 V C 2.952 179.011 176.094 -0.059 0.000 1.036 191 V CA 1.415 63.692 62.300 -0.039 0.000 1.044 191 V CB -0.974 30.838 31.823 -0.017 0.000 0.688 191 V HN 0.549 nan 8.190 nan 0.000 0.462 192 A N -0.401 122.384 122.820 -0.060 0.000 1.972 192 A HA -0.223 4.098 4.320 0.001 0.000 0.219 192 A C 2.130 179.665 177.584 -0.083 0.000 1.169 192 A CA 1.755 53.754 52.037 -0.062 0.000 0.635 192 A CB -0.446 18.570 19.000 0.027 0.000 0.810 192 A HN 0.595 nan 8.150 nan 0.000 0.446 193 E N 0.477 120.639 120.200 -0.065 0.000 2.085 193 E HA -0.155 4.195 4.350 0.001 0.000 0.194 193 E C 0.594 177.161 176.600 -0.055 0.000 0.994 193 E CA 0.977 57.343 56.400 -0.057 0.000 0.801 193 E CB -0.095 29.581 29.700 -0.039 0.000 0.743 193 E HN 0.810 nan 8.360 nan 0.000 0.453 197 I N 1.588 122.017 120.570 -0.234 0.000 2.441 197 I HA 0.677 4.847 4.170 0.001 0.000 0.295 197 I C 0.712 176.513 176.117 -0.527 0.000 0.994 197 I CA -0.574 60.477 61.300 -0.415 0.000 1.144 197 I CB 1.393 39.136 38.000 -0.429 0.000 1.314 197 I HN 0.084 nan 8.210 nan 0.000 0.445 198 G N 4.687 112.910 108.800 -0.962 0.000 2.568 198 G HA2 0.747 4.707 3.960 0.001 0.000 0.313 198 G HA3 0.747 4.707 3.960 0.001 0.000 0.313 198 G C -1.653 172.548 174.900 -1.165 0.000 1.227 198 G CA -0.359 44.169 45.100 -0.954 0.000 0.979 198 G HN 0.285 nan 8.290 nan 0.000 0.486 199 F N -0.614 119.269 119.950 -0.111 0.000 2.520 199 F HA 0.556 5.083 4.527 0.001 0.000 0.322 199 F C -0.244 175.951 175.800 0.659 0.000 1.103 199 F CA -0.790 57.397 58.000 0.312 0.000 0.926 199 F CB 2.534 41.702 39.000 0.281 0.000 1.154 199 F HN 0.330 nan 8.300 nan 0.000 0.453 200 L N 2.713 124.461 121.223 0.875 0.000 2.313 200 L HA 0.885 5.225 4.340 0.001 0.000 0.283 200 L C -0.138 177.041 176.870 0.515 0.000 1.013 200 L CA 0.000 55.177 54.840 0.561 0.000 0.816 200 L CB 1.258 43.555 42.059 0.397 0.000 1.236 200 L HN 0.647 nan 8.230 nan 0.000 0.419 204 F N 1.497 121.646 119.950 0.332 0.000 2.581 204 F HA 0.691 5.219 4.527 0.001 0.000 0.311 204 F C -0.454 175.374 175.800 0.047 0.000 1.113 204 F CA -1.274 56.875 58.000 0.248 0.000 0.935 204 F CB 2.315 41.381 39.000 0.111 0.000 1.232 204 F HN -0.013 nan 8.300 nan 0.000 0.445 205 Q N 7.711 127.050 119.800 -0.768 0.000 2.242 205 Q HA 0.158 4.499 4.340 0.001 0.000 0.284 205 Q C -2.091 173.717 176.000 -0.319 0.000 1.130 205 Q CA -1.275 53.983 55.803 -0.908 0.000 0.940 205 Q CB 0.826 28.996 28.738 -0.947 0.000 1.146 205 Q HN 0.367 nan 8.270 nan 0.000 0.388 206 P HA -0.029 nan 4.420 nan 0.000 0.236 206 P C 0.132 177.430 177.300 -0.003 0.000 1.177 206 P CA 0.802 63.952 63.100 0.082 0.000 0.773 206 P CB 0.500 32.233 31.700 0.055 0.000 0.878 207 K N -1.492 118.841 120.400 -0.111 0.000 2.380 207 K HA 0.097 4.418 4.320 0.001 0.000 0.200 207 K C 0.007 176.351 176.600 -0.426 0.000 1.201 207 K CA 0.069 56.143 56.287 -0.355 0.000 0.916 207 K CB 0.268 32.394 32.500 -0.623 0.000 1.187 207 K HN -0.045 nan 8.250 nan 0.000 0.498 208 W N 2.454 123.725 121.300 -0.048 0.000 2.448 208 W HA 0.415 5.075 4.660 0.001 0.000 0.339 208 W C 0.049 176.540 176.519 -0.047 0.000 1.124 208 W CA -1.026 56.285 57.345 -0.056 0.000 1.262 208 W CB 0.900 30.314 29.460 -0.077 0.000 1.251 208 W HN -0.129 nan 8.180 nan 0.000 0.597 209 R N 1.156 121.805 120.500 0.247 0.000 2.649 209 R HA 0.235 4.575 4.340 0.001 0.000 0.270 209 R C 1.630 177.993 176.300 0.106 0.000 1.105 209 R CA -0.810 55.377 56.100 0.146 0.000 1.193 209 R CB 0.558 30.933 30.300 0.126 0.000 1.120 209 R HN 0.557 nan 8.270 nan 0.000 0.561 210 R N 1.506 122.051 120.500 0.075 0.000 2.091 210 R HA -0.169 4.171 4.340 0.001 0.000 0.238 210 R C 1.588 177.905 176.300 0.028 0.000 1.136 210 R CA 2.054 58.179 56.100 0.041 0.000 0.959 210 R CB 0.014 30.341 30.300 0.045 0.000 0.856 210 R HN 0.726 nan 8.270 nan 0.000 0.437 211 E N -0.294 119.929 120.200 0.038 0.000 2.482 211 E HA -0.126 4.224 4.350 0.001 0.000 0.196 211 E C 0.287 176.894 176.600 0.011 0.000 1.047 211 E CA 0.694 57.108 56.400 0.023 0.000 0.869 211 E CB 0.095 29.811 29.700 0.027 0.000 0.836 211 E HN 0.369 nan 8.360 nan 0.000 0.520 212 D N 0.968 121.383 120.400 0.025 0.000 2.347 212 D HA 0.060 4.701 4.640 0.001 0.000 0.213 212 D C 0.549 176.787 176.300 -0.103 0.000 0.985 212 D CA 0.188 54.168 54.000 -0.033 0.000 0.879 212 D CB 0.367 41.203 40.800 0.059 0.000 0.919 212 D HN 0.194 nan 8.370 nan 0.000 0.526 213 I N 3.377 123.919 120.570 -0.047 0.000 2.416 213 I HA 0.152 4.322 4.170 0.001 0.000 0.288 213 I C -2.006 174.090 176.117 -0.034 0.000 1.051 213 I CA -2.490 58.782 61.300 -0.047 0.000 1.375 213 I CB 0.116 38.108 38.000 -0.013 0.000 1.407 213 I HN -0.279 nan 8.210 nan 0.000 0.516 214 P HA 0.166 nan 4.420 nan 0.000 0.268 214 P C -0.003 177.315 177.300 0.029 0.000 1.205 214 P CA -0.074 63.028 63.100 0.002 0.000 0.771 214 P CB 0.399 32.110 31.700 0.018 0.000 0.858 218 K N 0.114 120.436 120.400 -0.129 0.000 2.535 218 K HA 0.524 4.845 4.320 0.001 0.000 0.253 218 K C 1.243 177.695 176.600 -0.247 0.000 0.953 218 K CA -0.453 55.694 56.287 -0.233 0.000 0.863 218 K CB 2.307 34.547 32.500 -0.433 0.000 1.111 218 K HN 0.239 nan 8.250 nan 0.000 0.431 219 G N 3.011 111.692 108.800 -0.199 0.000 2.469 219 G HA2 -0.330 3.630 3.960 0.001 0.000 0.220 219 G HA3 -0.330 3.630 3.960 0.001 0.000 0.220 219 G C 1.451 176.159 174.900 -0.320 0.000 1.136 219 G CA 1.008 46.017 45.100 -0.152 0.000 0.759 219 G HN 0.701 nan 8.290 nan 0.000 0.562 220 R N -1.193 118.823 120.500 -0.808 0.000 2.096 220 R HA -0.079 4.262 4.340 0.001 0.000 0.235 220 R C 2.093 178.239 176.300 -0.257 0.000 1.127 220 R CA 1.520 57.012 56.100 -1.012 0.000 0.968 220 R CB -0.650 28.483 30.300 -1.945 0.000 0.861 220 R HN 0.358 nan 8.270 nan 0.000 0.440 221 Y N 1.822 121.981 120.300 -0.235 0.000 2.314 221 Y HA -0.027 4.524 4.550 0.001 0.000 0.293 221 Y C 1.766 177.620 175.900 -0.077 0.000 1.129 221 Y CA 0.393 58.425 58.100 -0.113 0.000 1.201 221 Y CB -0.500 37.905 38.460 -0.092 0.000 0.999 221 Y HN 0.119 nan 8.280 nan 0.000 0.541 222 D N 0.350 120.791 120.400 0.070 0.000 2.144 222 D HA -0.103 4.537 4.640 0.001 0.000 0.199 222 D C 1.156 177.486 176.300 0.050 0.000 0.984 222 D CA 0.855 54.881 54.000 0.043 0.000 0.834 222 D CB -0.328 40.480 40.800 0.014 0.000 0.955 222 D HN 0.197 nan 8.370 nan 0.000 0.465 226 N N 0.564 119.305 118.700 0.068 0.000 2.309 226 N HA -0.115 4.626 4.740 0.001 0.000 0.182 226 N C 0.390 175.974 175.510 0.125 0.000 1.018 226 N CA 0.868 53.967 53.050 0.082 0.000 0.876 226 N CB 0.268 38.806 38.487 0.085 0.000 0.972 226 N HN 0.039 nan 8.380 nan 0.000 0.434 230 K N 0.769 121.059 120.400 -0.184 0.000 2.366 230 K HA 0.127 4.448 4.320 0.001 0.000 0.198 230 K C 1.327 177.794 176.600 -0.223 0.000 1.044 230 K CA 1.582 57.745 56.287 -0.206 0.000 0.973 230 K CB 0.377 32.716 32.500 -0.268 0.000 0.767 230 K HN 0.260 nan 8.250 nan 0.000 0.475 231 V N -4.110 115.655 119.914 -0.250 0.000 3.432 231 V HA 0.443 4.564 4.120 0.001 0.000 0.298 231 V C 0.369 176.427 176.094 -0.059 0.000 1.464 231 V CA -0.073 62.134 62.300 -0.155 0.000 1.046 231 V CB 0.659 32.373 31.823 -0.181 0.000 0.887 231 V HN 0.161 nan 8.190 nan 0.000 0.441 232 G N 0.301 109.064 108.800 -0.061 0.000 2.356 232 G HA2 0.415 4.375 3.960 0.001 0.000 0.294 232 G HA3 0.415 4.375 3.960 0.001 0.000 0.294 232 G C -0.017 174.858 174.900 -0.041 0.000 1.423 232 G CA 0.330 45.409 45.100 -0.035 0.000 0.806 232 G HN 0.681 nan 8.290 nan 0.000 0.527 233 S N -1.194 114.484 115.700 -0.037 0.000 2.523 233 S HA 0.259 4.729 4.470 0.001 0.000 0.217 233 S C 1.395 175.971 174.600 -0.041 0.000 0.996 233 S CA 0.147 58.328 58.200 -0.031 0.000 0.921 233 S CB -0.025 63.166 63.200 -0.015 0.000 0.829 233 S HN 0.429 nan 8.310 nan 0.000 0.495 234 L N 0.795 121.977 121.223 -0.067 0.000 2.766 234 L HA 0.433 4.773 4.340 0.001 0.000 0.242 234 L C 2.292 179.084 176.870 -0.130 0.000 1.136 234 L CA 0.323 55.108 54.840 -0.092 0.000 0.933 234 L CB -0.112 41.865 42.059 -0.135 0.000 1.241 234 L HN 0.459 nan 8.230 nan 0.000 0.522 235 G N 0.772 109.502 108.800 -0.117 0.000 2.432 235 G HA2 -0.182 3.778 3.960 0.001 0.000 0.219 235 G HA3 -0.182 3.778 3.960 0.001 0.000 0.219 235 G C 1.492 176.305 174.900 -0.145 0.000 1.135 235 G CA 0.498 45.509 45.100 -0.149 0.000 0.767 235 G HN 0.237 nan 8.290 nan 0.000 0.550 236 L N 0.275 121.444 121.223 -0.090 0.000 2.141 236 L HA 0.061 4.402 4.340 0.001 0.000 0.209 236 L C 1.194 178.020 176.870 -0.073 0.000 1.094 236 L CA 0.267 55.063 54.840 -0.074 0.000 0.763 236 L CB -0.390 41.645 42.059 -0.039 0.000 0.908 236 L HN 0.083 nan 8.230 nan 0.000 0.437 241 R N 0.233 120.721 120.500 -0.020 0.000 2.549 241 R HA 0.210 4.551 4.340 0.001 0.000 0.361 241 R C 0.119 176.436 176.300 0.028 0.000 0.969 241 R CA 0.486 56.504 56.100 -0.138 0.000 1.158 241 R CB 1.609 31.573 30.300 -0.561 0.000 1.456 241 R HN 0.251 nan 8.270 nan 0.000 0.540 242 T N -2.080 112.587 114.554 0.188 0.000 2.918 242 T HA 0.586 4.937 4.350 0.001 0.000 0.286 242 T C -0.106 174.668 174.700 0.123 0.000 1.026 242 T CA -0.598 61.670 62.100 0.281 0.000 1.031 242 T CB 2.173 71.167 68.868 0.209 0.000 1.046 242 T HN -0.021 nan 8.240 nan 0.000 0.479 243 C N 1.655 121.013 119.300 0.096 0.000 2.547 243 C HA 0.859 5.320 4.460 0.001 0.000 0.313 243 C C 0.389 175.437 174.990 0.096 0.000 1.191 243 C CA -0.526 58.451 59.018 -0.068 0.000 1.474 243 C CB 1.527 29.051 27.740 -0.360 0.000 2.081 243 C HN 1.142 nan 8.230 nan 0.000 0.476 244 T N 0.998 115.607 114.554 0.091 0.000 2.924 244 T HA 0.715 5.065 4.350 0.001 0.000 0.291 244 T C -1.341 173.421 174.700 0.103 0.000 1.045 244 T CA -0.347 61.820 62.100 0.112 0.000 1.015 244 T CB 1.564 70.496 68.868 0.106 0.000 1.103 244 T HN 0.686 nan 8.240 nan 0.000 0.496 245 V N 4.990 124.951 119.914 0.079 0.000 2.448 245 V HA 0.718 4.838 4.120 0.001 0.000 0.295 245 V C -0.814 175.277 176.094 -0.005 0.000 1.025 245 V CA -0.398 61.942 62.300 0.067 0.000 0.859 245 V CB 1.276 33.140 31.823 0.068 0.000 0.988 245 V HN 1.043 nan 8.190 nan 0.000 0.431 246 Q N 4.901 124.701 119.800 -0.000 0.000 2.458 246 Q HA 0.846 5.186 4.340 0.001 0.000 0.282 246 Q C -1.994 173.980 176.000 -0.043 0.000 1.106 246 Q CA -0.853 54.927 55.803 -0.038 0.000 0.814 246 Q CB 2.609 31.321 28.738 -0.043 0.000 1.425 246 Q HN 0.580 nan 8.270 nan 0.000 0.437 247 V N 1.761 121.627 119.914 -0.080 0.000 2.656 247 V HA 0.534 4.655 4.120 0.001 0.000 0.307 247 V C -1.733 174.275 176.094 -0.142 0.000 1.051 247 V CA -0.681 61.563 62.300 -0.094 0.000 0.893 247 V CB 2.233 34.028 31.823 -0.048 0.000 0.999 247 V HN 0.908 nan 8.190 nan 0.000 0.426 248 N N 6.192 124.807 118.700 -0.141 0.000 2.372 248 N HA 0.745 5.485 4.740 0.001 0.000 0.291 248 N C -1.157 174.251 175.510 -0.169 0.000 1.024 248 N CA -0.220 52.748 53.050 -0.136 0.000 0.873 248 N CB 1.938 40.263 38.487 -0.270 0.000 1.206 248 N HN 0.586 nan 8.380 nan 0.000 0.486 249 L N 0.418 121.561 121.223 -0.132 0.000 2.376 249 L HA 0.513 4.854 4.340 0.001 0.000 0.258 249 L C -0.492 176.315 176.870 -0.105 0.000 1.013 249 L CA -0.995 53.763 54.840 -0.136 0.000 0.822 249 L CB 2.194 44.083 42.059 -0.283 0.000 1.388 249 L HN 0.253 nan 8.230 nan 0.000 0.413 250 D N 0.601 120.919 120.400 -0.135 0.000 2.268 250 D HA 0.586 5.227 4.640 0.001 0.000 0.249 250 D C -0.996 174.905 176.300 -0.665 0.000 1.008 250 D CA 0.073 53.801 54.000 -0.454 0.000 0.939 250 D CB 2.132 42.686 40.800 -0.409 0.000 1.170 250 D HN 0.193 nan 8.370 nan 0.000 0.468 251 F N -1.698 118.043 119.950 -0.348 0.000 2.593 251 F HA 0.438 4.965 4.527 0.001 0.000 0.320 251 F C 0.952 176.772 175.800 0.033 0.000 1.060 251 F CA -1.062 56.780 58.000 -0.264 0.000 0.940 251 F CB 1.027 39.958 39.000 -0.115 0.000 1.268 251 F HN 0.172 nan 8.300 nan 0.000 0.475 252 S N -0.696 115.274 115.700 0.450 0.000 2.502 252 S HA 0.411 4.882 4.470 0.001 0.000 0.215 252 S C 0.260 175.070 174.600 0.351 0.000 1.009 252 S CA 0.494 58.969 58.200 0.458 0.000 0.908 252 S CB -0.582 62.924 63.200 0.511 0.000 0.801 252 S HN 1.119 nan 8.310 nan 0.000 0.505 253 S N -0.249 115.666 115.700 0.357 0.000 2.636 253 S HA 0.444 4.914 4.470 0.001 0.000 0.268 253 S C 0.248 174.936 174.600 0.147 0.000 1.159 253 S CA -0.475 57.873 58.200 0.246 0.000 0.815 253 S CB 1.128 64.419 63.200 0.151 0.000 1.130 253 S HN 0.064 nan 8.310 nan 0.000 0.471 254 E N 0.504 120.756 120.200 0.086 0.000 2.077 254 E HA -0.098 4.252 4.350 0.001 0.000 0.193 254 E C 2.111 178.551 176.600 -0.267 0.000 0.989 254 E CA 1.439 57.705 56.400 -0.223 0.000 0.800 254 E CB -0.510 29.106 29.700 -0.140 0.000 0.746 254 E HN 0.741 nan 8.360 nan 0.000 0.452 255 A N 1.001 123.756 122.820 -0.109 0.000 1.908 255 A HA -0.171 4.150 4.320 0.001 0.000 0.218 255 A C 1.303 178.849 177.584 -0.064 0.000 1.181 255 A CA 1.444 53.432 52.037 -0.082 0.000 0.627 255 A CB -0.554 18.431 19.000 -0.025 0.000 0.818 255 A HN 0.403 nan 8.150 nan 0.000 0.445 259 R N 1.851 122.307 120.500 -0.072 0.000 2.081 259 R HA -0.088 4.253 4.340 0.001 0.000 0.235 259 R C 1.880 178.154 176.300 -0.044 0.000 1.131 259 R CA 1.656 57.723 56.100 -0.055 0.000 0.960 259 R CB -0.133 30.153 30.300 -0.023 0.000 0.856 259 R HN 0.282 nan 8.270 nan 0.000 0.436 260 K N -0.282 120.096 120.400 -0.037 0.000 2.097 260 K HA -0.100 4.221 4.320 0.001 0.000 0.205 260 K C 1.829 178.400 176.600 -0.048 0.000 1.050 260 K CA 1.170 57.432 56.287 -0.042 0.000 0.938 260 K CB -0.143 32.322 32.500 -0.059 0.000 0.718 260 K HN 0.133 nan 8.250 nan 0.000 0.442 261 F N 1.495 121.311 119.950 -0.224 0.000 2.134 261 F HA -0.218 4.310 4.527 0.001 0.000 0.299 261 F C 2.321 177.900 175.800 -0.368 0.000 1.097 261 F CA 1.051 58.872 58.000 -0.299 0.000 1.264 261 F CB 0.195 39.005 39.000 -0.317 0.000 1.001 261 F HN -0.043 nan 8.300 nan 0.000 0.479 262 R N -0.048 120.320 120.500 -0.220 0.000 2.075 262 R HA -0.119 4.222 4.340 0.001 0.000 0.232 262 R C 2.358 178.632 176.300 -0.043 0.000 1.126 262 R CA 1.123 56.959 56.100 -0.439 0.000 0.963 262 R CB -0.639 29.358 30.300 -0.506 0.000 0.858 262 R HN 0.292 nan 8.270 nan 0.000 0.435 263 A N 0.719 123.531 122.820 -0.012 0.000 1.898 263 A HA -0.057 4.263 4.320 0.001 0.000 0.216 263 A C 2.380 180.048 177.584 0.139 0.000 1.181 263 A CA 1.684 53.755 52.037 0.056 0.000 0.620 263 A CB -1.141 17.886 19.000 0.045 0.000 0.819 263 A HN 0.455 nan 8.150 nan 0.000 0.442 264 G N -0.174 108.653 108.800 0.045 0.000 2.421 264 G HA2 -0.165 3.796 3.960 0.001 0.000 0.216 264 G HA3 -0.165 3.796 3.960 0.001 0.000 0.216 264 G C 1.589 176.511 174.900 0.038 0.000 1.171 264 G CA 1.088 46.123 45.100 -0.108 0.000 0.775 264 G HN 0.414 nan 8.290 nan 0.000 0.543 265 L N 0.662 121.957 121.223 0.120 0.000 2.005 265 L HA -0.029 4.312 4.340 0.001 0.000 0.207 265 L C 3.449 180.480 176.870 0.269 0.000 1.072 265 L CA 1.125 56.086 54.840 0.201 0.000 0.744 265 L CB -0.437 41.776 42.059 0.257 0.000 0.895 265 L HN 0.296 nan 8.230 nan 0.000 0.433 266 A N -0.145 122.874 122.820 0.332 0.000 1.908 266 A HA -0.176 4.144 4.320 0.001 0.000 0.218 266 A C 2.122 179.895 177.584 0.314 0.000 1.181 266 A CA 1.596 53.803 52.037 0.282 0.000 0.627 266 A CB -0.707 18.371 19.000 0.130 0.000 0.818 266 A HN 0.419 nan 8.150 nan 0.000 0.445 267 L N -1.125 120.290 121.223 0.320 0.000 2.591 267 L HA -0.019 4.322 4.340 0.001 0.000 0.228 267 L C 2.443 179.611 176.870 0.497 0.000 1.133 267 L CA 0.445 55.523 54.840 0.397 0.000 0.880 267 L CB -0.242 42.048 42.059 0.385 0.000 1.033 267 L HN 0.410 nan 8.230 nan 0.000 0.450 268 Q N 1.193 121.259 119.800 0.443 0.000 2.061 268 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 268 Q C -0.615 175.548 176.000 0.272 0.000 0.984 268 Q CA 2.051 58.090 55.803 0.394 0.000 0.846 268 Q CB -0.978 27.881 28.738 0.201 0.000 0.902 268 Q HN 0.219 nan 8.270 nan 0.000 0.421 269 P HA -0.157 nan 4.420 nan 0.000 0.217 269 P C 0.741 178.104 177.300 0.106 0.000 1.148 269 P CA 1.223 64.394 63.100 0.118 0.000 0.828 269 P CB -0.044 31.691 31.700 0.058 0.000 0.783 270 I N -0.826 119.831 120.570 0.145 0.000 2.202 270 I HA -0.228 3.943 4.170 0.001 0.000 0.242 270 I C 2.361 178.502 176.117 0.040 0.000 1.091 270 I CA 1.387 62.748 61.300 0.102 0.000 1.368 270 I CB -0.793 37.308 38.000 0.169 0.000 1.058 270 I HN -0.094 nan 8.210 nan 0.000 0.410 271 A N 0.341 123.208 122.820 0.080 0.000 1.883 271 A HA -0.235 4.086 4.320 0.001 0.000 0.217 271 A C 2.381 180.056 177.584 0.151 0.000 1.186 271 A CA 2.585 54.617 52.037 -0.009 0.000 0.624 271 A CB -1.231 17.899 19.000 0.216 0.000 0.822 271 A HN 0.399 nan 8.150 nan 0.000 0.444 272 T N 0.424 115.068 114.554 0.149 0.000 2.665 272 T HA -0.105 4.246 4.350 0.001 0.000 0.268 272 T C 2.201 176.971 174.700 0.117 0.000 1.035 272 T CA 1.857 64.041 62.100 0.140 0.000 1.151 272 T CB -0.527 68.414 68.868 0.122 0.000 0.862 272 T HN 0.634 nan 8.240 nan 0.000 0.438 273 A N 1.369 124.229 122.820 0.066 0.000 1.877 273 A HA 0.020 4.341 4.320 0.001 0.000 0.216 273 A C 2.326 179.891 177.584 -0.032 0.000 1.186 273 A CA 1.203 53.248 52.037 0.012 0.000 0.620 273 A CB -0.863 18.128 19.000 -0.015 0.000 0.822 273 A HN 0.492 nan 8.150 nan 0.000 0.443 274 L N -2.354 118.827 121.223 -0.070 0.000 2.131 274 L HA -0.122 4.219 4.340 0.001 0.000 0.210 274 L C 1.753 178.388 176.870 -0.391 0.000 1.092 274 L CA 1.164 55.846 54.840 -0.263 0.000 0.759 274 L CB -0.435 41.359 42.059 -0.442 0.000 0.903 274 L HN 0.410 nan 8.230 nan 0.000 0.435 275 F N -0.127 119.755 119.950 -0.113 0.000 2.678 275 F HA 0.329 4.857 4.527 0.001 0.000 0.305 275 F C 1.447 177.237 175.800 -0.016 0.000 1.090 275 F CA -0.604 57.358 58.000 -0.063 0.000 1.272 275 F CB -0.058 38.911 39.000 -0.051 0.000 1.060 275 F HN -0.147 nan 8.300 nan 0.000 0.576 276 A N 1.322 124.199 122.820 0.094 0.000 2.561 276 A HA 0.070 4.391 4.320 0.001 0.000 0.251 276 A C 0.609 178.218 177.584 0.042 0.000 1.062 276 A CA 0.652 52.731 52.037 0.070 0.000 0.761 276 A CB -0.317 18.700 19.000 0.028 0.000 0.986 276 A HN 0.409 nan 8.150 nan 0.000 0.510 277 N N 0.404 119.147 118.700 0.072 0.000 2.550 277 N HA 0.088 4.828 4.740 0.001 0.000 0.277 277 N C -0.829 174.736 175.510 0.092 0.000 1.595 277 N CA 0.441 53.532 53.050 0.069 0.000 0.888 277 N CB 0.484 39.039 38.487 0.114 0.000 1.424 277 N HN 0.601 nan 8.380 nan 0.000 0.501 278 S N -0.898 114.829 115.700 0.044 0.000 2.512 278 S HA 0.361 4.831 4.470 0.001 0.000 0.161 278 S C -2.452 172.104 174.600 -0.074 0.000 1.383 278 S CA -0.645 57.596 58.200 0.068 0.000 1.248 278 S CB 1.441 64.754 63.200 0.187 0.000 1.488 278 S HN 0.081 nan 8.310 nan 0.000 0.382 279 P HA 0.308 nan 4.420 nan 0.000 0.255 279 P C -0.631 176.359 177.300 -0.516 0.000 1.248 279 P CA 0.041 62.869 63.100 -0.452 0.000 0.807 279 P CB -0.187 31.096 31.700 -0.696 0.000 1.150 280 F N -0.058 119.901 119.950 0.015 0.000 2.495 280 F HA 0.516 5.044 4.527 0.001 0.000 0.327 280 F C 0.599 176.452 175.800 0.088 0.000 1.103 280 F CA -0.655 57.345 58.000 -0.000 0.000 0.949 280 F CB 1.614 40.617 39.000 0.005 0.000 1.142 280 F HN -0.411 nan 8.300 nan 0.000 0.457 281 T N 1.552 116.262 114.554 0.260 0.000 2.928 281 T HA 0.332 4.682 4.350 0.001 0.000 0.296 281 T C -0.582 174.209 174.700 0.152 0.000 1.000 281 T CA -0.976 61.276 62.100 0.254 0.000 0.989 281 T CB 1.322 70.270 68.868 0.134 0.000 1.005 281 T HN 0.643 nan 8.240 nan 0.000 0.442 282 E N 1.571 121.842 120.200 0.118 0.000 2.297 282 E HA -0.239 4.112 4.350 0.001 0.000 0.228 282 E C 1.046 177.627 176.600 -0.032 0.000 1.213 282 E CA 0.821 57.230 56.400 0.015 0.000 0.712 282 E CB -1.510 28.216 29.700 0.043 0.000 1.202 282 E HN 1.283 nan 8.360 nan 0.000 0.376 283 G N -0.427 108.340 108.800 -0.055 0.000 2.159 283 G HA2 -0.348 3.613 3.960 0.001 0.000 0.256 283 G HA3 -0.348 3.613 3.960 0.001 0.000 0.256 283 G C 0.110 175.004 174.900 -0.010 0.000 0.977 283 G CA 0.779 45.828 45.100 -0.085 0.000 0.652 283 G HN 0.274 nan 8.290 nan 0.000 0.531 284 K N -0.127 120.284 120.400 0.017 0.000 2.512 284 K HA 0.486 4.806 4.320 0.001 0.000 0.263 284 K C -3.030 173.601 176.600 0.052 0.000 0.966 284 K CA -2.277 54.013 56.287 0.004 0.000 0.851 284 K CB 2.685 35.216 32.500 0.051 0.000 1.395 284 K HN -0.125 nan 8.250 nan 0.000 0.440 285 P HA -0.025 nan 4.420 nan 0.000 0.264 285 P C -0.305 176.990 177.300 -0.008 0.000 1.193 285 P CA 0.190 63.267 63.100 -0.040 0.000 0.763 285 P CB 0.278 31.902 31.700 -0.127 0.000 0.810 286 N N 2.165 120.861 118.700 -0.006 0.000 2.280 286 N HA 0.102 4.842 4.740 0.001 0.000 0.192 286 N C 1.216 176.769 175.510 0.073 0.000 1.109 286 N CA 0.440 53.512 53.050 0.037 0.000 0.855 286 N CB -0.371 38.124 38.487 0.014 0.000 0.974 286 N HN 0.562 nan 8.380 nan 0.000 0.482 287 G N -1.433 107.344 108.800 -0.038 0.000 2.176 287 G HA2 -0.255 3.705 3.960 0.001 0.000 0.253 287 G HA3 -0.255 3.705 3.960 0.001 0.000 0.253 287 G C -0.275 174.422 174.900 -0.339 0.000 0.979 287 G CA 0.128 45.122 45.100 -0.176 0.000 0.641 287 G HN 0.317 nan 8.290 nan 0.000 0.530 288 F N -0.745 119.095 119.950 -0.183 0.000 2.541 288 F HA 0.716 5.244 4.527 0.001 0.000 0.331 288 F C 1.517 177.213 175.800 -0.174 0.000 1.057 288 F CA -0.943 56.951 58.000 -0.176 0.000 0.975 288 F CB 1.358 40.242 39.000 -0.193 0.000 1.246 288 F HN -0.114 nan 8.300 nan 0.000 0.484 289 L N -0.313 120.944 121.223 0.056 0.000 2.286 289 L HA 0.168 4.508 4.340 0.001 0.000 0.203 289 L C 0.854 177.741 176.870 0.028 0.000 1.068 289 L CA 0.558 55.390 54.840 -0.014 0.000 0.811 289 L CB -0.069 41.971 42.059 -0.032 0.000 0.989 289 L HN 0.533 nan 8.230 nan 0.000 0.467 293 S N 0.162 115.984 115.700 0.202 0.000 2.368 293 S HA -0.197 4.273 4.470 0.001 0.000 0.225 293 S C 1.609 176.328 174.600 0.198 0.000 1.030 293 S CA 2.007 60.359 58.200 0.253 0.000 0.999 293 S CB -0.399 62.916 63.200 0.191 0.000 0.844 293 S HN 0.545 nan 8.310 nan 0.000 0.459 294 H N 0.978 120.025 119.070 -0.037 0.000 2.319 294 H HA 0.018 4.575 4.556 0.001 0.000 0.299 294 H C 1.866 177.121 175.328 -0.121 0.000 1.092 294 H CA 2.195 58.157 56.048 -0.142 0.000 1.302 294 H CB -0.544 28.852 29.762 -0.610 0.000 1.373 294 H HN 0.443 nan 8.280 nan 0.000 0.497 295 I N -0.731 119.701 120.570 -0.229 0.000 2.248 295 I HA -0.333 3.838 4.170 0.001 0.000 0.248 295 I C 1.711 177.687 176.117 -0.234 0.000 1.107 295 I CA 1.479 62.611 61.300 -0.279 0.000 1.373 295 I CB -0.389 37.462 38.000 -0.249 0.000 1.055 295 I HN 0.410 nan 8.210 nan 0.000 0.418 296 W N 0.532 121.782 121.300 -0.083 0.000 2.611 296 W HA -0.155 4.505 4.660 0.001 0.000 0.251 296 W C 2.661 179.156 176.519 -0.039 0.000 1.265 296 W CA 1.231 58.558 57.345 -0.029 0.000 1.295 296 W CB -0.338 29.130 29.460 0.013 0.000 1.129 296 W HN 0.245 nan 8.180 nan 0.000 0.630 297 T N -3.836 110.762 114.554 0.072 0.000 3.100 297 T HA -0.046 4.304 4.350 0.001 0.000 0.253 297 T C 0.594 175.261 174.700 -0.055 0.000 1.118 297 T CA 0.827 62.930 62.100 0.005 0.000 1.058 297 T CB 0.031 68.857 68.868 -0.071 0.000 0.953 297 T HN -0.097 nan 8.240 nan 0.000 0.515 298 D N -0.060 120.274 120.400 -0.110 0.000 2.945 298 D HA 0.332 4.972 4.640 0.001 0.000 0.366 298 D C 0.853 177.118 176.300 -0.060 0.000 1.352 298 D CA -0.189 53.762 54.000 -0.083 0.000 0.810 298 D CB 0.493 41.215 40.800 -0.129 0.000 1.170 298 D HN 0.121 nan 8.370 nan 0.000 0.461 299 T N -0.965 113.590 114.554 0.002 0.000 3.111 299 T HA 0.140 4.490 4.350 0.001 0.000 0.236 299 T C -0.291 174.468 174.700 0.097 0.000 0.984 299 T CA 0.115 62.218 62.100 0.005 0.000 1.195 299 T CB 0.516 69.362 68.868 -0.038 0.000 0.929 299 T HN 0.129 nan 8.240 nan 0.000 0.431 300 D N 0.260 120.766 120.400 0.177 0.000 2.301 300 D HA 0.096 4.737 4.640 0.001 0.000 0.203 300 D C 0.353 176.774 176.300 0.202 0.000 1.300 300 D CA -0.277 53.840 54.000 0.195 0.000 0.899 300 D CB 0.980 41.961 40.800 0.302 0.000 1.597 300 D HN 0.118 nan 8.370 nan 0.000 0.538 301 K N 2.361 122.848 120.400 0.145 0.000 2.209 301 K HA -0.134 4.187 4.320 0.001 0.000 0.204 301 K C 0.352 177.046 176.600 0.156 0.000 1.048 301 K CA 1.248 57.618 56.287 0.138 0.000 0.940 301 K CB 0.196 32.755 32.500 0.099 0.000 0.729 301 K HN 0.166 nan 8.250 nan 0.000 0.451 302 D N 0.951 121.440 120.400 0.149 0.000 2.310 302 D HA -0.121 4.520 4.640 0.001 0.000 0.212 302 D C 1.129 177.505 176.300 0.127 0.000 0.965 302 D CA 1.013 55.090 54.000 0.128 0.000 0.879 302 D CB 0.150 41.007 40.800 0.095 0.000 0.921 302 D HN 0.550 nan 8.370 nan 0.000 0.510 303 R N -0.423 120.175 120.500 0.164 0.000 2.592 303 R HA 0.178 4.519 4.340 0.001 0.000 0.439 303 R C -0.203 176.246 176.300 0.248 0.000 0.995 303 R CA -0.294 55.886 56.100 0.133 0.000 1.141 303 R CB -0.083 30.199 30.300 -0.030 0.000 1.495 303 R HN 0.015 nan 8.270 nan 0.000 0.579 304 T N -3.030 111.687 114.554 0.272 0.000 2.864 304 T HA 0.851 5.202 4.350 0.001 0.000 0.289 304 T C 0.376 175.185 174.700 0.183 0.000 1.082 304 T CA -0.301 61.951 62.100 0.253 0.000 1.009 304 T CB 2.151 71.212 68.868 0.322 0.000 1.234 304 T HN 0.478 nan 8.240 nan 0.000 0.526 308 P HA -0.193 nan 4.420 nan 0.000 0.219 308 P C 1.590 178.863 177.300 -0.045 0.000 1.146 308 P CA 1.282 64.361 63.100 -0.035 0.000 0.808 308 P CB -0.009 31.689 31.700 -0.004 0.000 0.779 309 F N -1.740 118.130 119.950 -0.133 0.000 2.408 309 F HA -0.062 4.466 4.527 0.001 0.000 0.300 309 F C 1.638 177.239 175.800 -0.331 0.000 1.090 309 F CA 0.493 58.400 58.000 -0.154 0.000 1.427 309 F CB -1.786 37.133 39.000 -0.135 0.000 1.070 309 F HN -0.297 nan 8.300 nan 0.000 0.549 310 V N 0.376 119.462 119.914 -1.380 0.000 2.594 310 V HA -0.274 3.847 4.120 0.001 0.000 0.253 310 V C 1.835 177.289 176.094 -1.066 0.000 1.069 310 V CA 1.744 62.908 62.300 -1.894 0.000 1.082 310 V CB -0.927 29.578 31.823 -2.196 0.000 0.680 310 V HN 0.396 nan 8.190 nan 0.000 0.469 311 F N -0.966 118.686 119.950 -0.496 0.000 2.797 311 F HA 0.166 4.694 4.527 0.001 0.000 0.302 311 F C 0.963 176.698 175.800 -0.108 0.000 1.130 311 F CA -0.307 57.548 58.000 -0.243 0.000 1.387 311 F CB -0.079 38.811 39.000 -0.183 0.000 1.107 311 F HN 0.143 nan 8.300 nan 0.000 0.577 312 D N 0.711 121.146 120.400 0.059 0.000 2.372 312 D HA -0.031 4.610 4.640 0.001 0.000 0.243 312 D C 0.942 177.300 176.300 0.097 0.000 1.121 312 D CA 0.098 54.157 54.000 0.098 0.000 0.898 312 D CB 0.792 41.670 40.800 0.130 0.000 1.202 312 D HN 0.063 nan 8.370 nan 0.000 0.428 313 D N 0.136 120.584 120.400 0.080 0.000 2.221 313 D HA -0.151 4.490 4.640 0.001 0.000 0.204 313 D C 1.850 178.190 176.300 0.067 0.000 0.982 313 D CA 1.054 55.091 54.000 0.061 0.000 0.857 313 D CB -0.028 40.800 40.800 0.047 0.000 0.934 313 D HN 0.382 nan 8.370 nan 0.000 0.475 314 S N -0.102 115.652 115.700 0.091 0.000 2.474 314 S HA -0.132 4.338 4.470 0.001 0.000 0.235 314 S C 0.773 175.433 174.600 0.101 0.000 0.997 314 S CA -0.341 57.910 58.200 0.086 0.000 0.949 314 S CB -0.553 62.706 63.200 0.098 0.000 0.766 314 S HN 0.108 nan 8.310 nan 0.000 0.517 315 F N 2.840 122.782 119.950 -0.013 0.000 2.572 315 F HA 0.498 5.026 4.527 0.001 0.000 0.370 315 F C 0.801 176.548 175.800 -0.088 0.000 1.103 315 F CA 0.714 58.692 58.000 -0.036 0.000 1.286 315 F CB 0.176 39.090 39.000 -0.144 0.000 1.105 315 F HN 0.349 nan 8.300 nan 0.000 0.583 316 G N 4.366 112.451 108.800 -1.192 0.000 2.428 316 G HA2 0.181 4.141 3.960 0.001 0.000 0.304 316 G HA3 0.181 4.141 3.960 0.001 0.000 0.304 316 G C -0.431 173.946 174.900 -0.872 0.000 1.303 316 G CA -0.663 43.819 45.100 -1.028 0.000 0.825 316 G HN 0.430 nan 8.290 nan 0.000 0.484 317 F N 0.291 120.014 119.950 -0.378 0.000 2.120 317 F HA -0.018 4.510 4.527 0.001 0.000 0.300 317 F C 2.574 178.384 175.800 0.017 0.000 1.095 317 F CA 2.029 59.947 58.000 -0.138 0.000 1.249 317 F CB -0.051 38.906 39.000 -0.071 0.000 0.995 317 F HN 0.654 nan 8.300 nan 0.000 0.480 318 E N 0.156 120.451 120.200 0.158 0.000 2.058 318 E HA -0.331 4.019 4.350 0.001 0.000 0.194 318 E C 2.264 178.954 176.600 0.150 0.000 0.997 318 E CA 1.585 58.066 56.400 0.136 0.000 0.801 318 E CB -0.237 29.506 29.700 0.072 0.000 0.746 318 E HN 0.537 nan 8.360 nan 0.000 0.450 319 Q N -0.784 119.087 119.800 0.119 0.000 2.119 319 Q HA -0.220 4.121 4.340 0.001 0.000 0.201 319 Q C 1.946 178.169 176.000 0.372 0.000 0.972 319 Q CA 1.553 57.484 55.803 0.214 0.000 0.847 319 Q CB -0.268 28.661 28.738 0.319 0.000 0.903 319 Q HN 0.428 nan 8.270 nan 0.000 0.433 320 Y N -0.280 120.267 120.300 0.412 0.000 2.242 320 Y HA -0.178 4.373 4.550 0.001 0.000 0.291 320 Y C 1.937 178.114 175.900 0.461 0.000 1.137 320 Y CA 1.329 59.786 58.100 0.594 0.000 1.181 320 Y CB -0.040 38.782 38.460 0.603 0.000 0.989 320 Y HN -0.031 nan 8.280 nan 0.000 0.527 321 V N 0.336 120.544 119.914 0.489 0.000 2.332 321 V HA -0.316 3.804 4.120 0.001 0.000 0.248 321 V C 2.008 178.244 176.094 0.238 0.000 1.055 321 V CA 2.268 64.826 62.300 0.429 0.000 1.038 321 V CB -0.570 31.465 31.823 0.353 0.000 0.651 321 V HN 0.408 nan 8.190 nan 0.000 0.450 322 D N -1.188 119.300 120.400 0.148 0.000 2.117 322 D HA -0.199 4.441 4.640 0.001 0.000 0.197 322 D C 1.925 178.235 176.300 0.018 0.000 0.987 322 D CA 1.605 55.642 54.000 0.062 0.000 0.829 322 D CB -0.308 40.509 40.800 0.028 0.000 0.961 322 D HN 0.569 nan 8.370 nan 0.000 0.460 323 Y N 1.872 122.057 120.300 -0.192 0.000 2.053 323 Y HA -0.284 4.267 4.550 0.001 0.000 0.277 323 Y C 2.226 178.012 175.900 -0.189 0.000 1.159 323 Y CA 2.071 59.982 58.100 -0.315 0.000 1.125 323 Y CB -0.706 37.438 38.460 -0.526 0.000 0.969 323 Y HN -0.049 nan 8.280 nan 0.000 0.492 324 A N 0.359 122.950 122.820 -0.381 0.000 1.933 324 A HA -0.134 4.186 4.320 0.001 0.000 0.218 324 A C 2.389 180.006 177.584 0.056 0.000 1.175 324 A CA 1.684 53.501 52.037 -0.367 0.000 0.628 324 A CB -1.192 17.673 19.000 -0.226 0.000 0.814 324 A HN 0.592 nan 8.150 nan 0.000 0.444 325 L N -0.542 120.777 121.223 0.161 0.000 2.131 325 L HA -0.176 4.165 4.340 0.001 0.000 0.210 325 L C 1.350 178.266 176.870 0.077 0.000 1.092 325 L CA 1.326 56.266 54.840 0.167 0.000 0.759 325 L CB -0.355 41.763 42.059 0.098 0.000 0.903 325 L HN 0.331 nan 8.230 nan 0.000 0.435 326 D N -0.996 119.398 120.400 -0.011 0.000 2.350 326 D HA 0.057 4.698 4.640 0.001 0.000 0.213 326 D C 0.468 176.724 176.300 -0.073 0.000 1.031 326 D CA 0.260 54.240 54.000 -0.034 0.000 0.861 326 D CB 0.476 41.251 40.800 -0.042 0.000 0.926 326 D HN 0.014 nan 8.370 nan 0.000 0.520 327 V N 3.504 123.326 119.914 -0.155 0.000 2.470 327 V HA 0.092 4.212 4.120 0.001 0.000 0.276 327 V C -1.699 174.381 176.094 -0.024 0.000 1.040 327 V CA -1.165 61.023 62.300 -0.188 0.000 1.008 327 V CB 0.954 32.510 31.823 -0.444 0.000 0.990 327 V HN -0.048 nan 8.190 nan 0.000 0.477 331 F N -0.881 119.232 119.950 0.272 0.000 2.773 331 F HA 0.877 5.405 4.527 0.001 0.000 0.314 331 F C -0.884 175.056 175.800 0.235 0.000 1.160 331 F CA -1.937 56.204 58.000 0.236 0.000 0.920 331 F CB 1.004 40.211 39.000 0.344 0.000 1.323 331 F HN -0.046 nan 8.300 nan 0.000 0.457 332 A N 0.447 123.548 122.820 0.469 0.000 2.414 332 A HA 0.681 5.001 4.320 0.001 0.000 0.306 332 A C -2.477 175.252 177.584 0.242 0.000 1.054 332 A CA -0.752 51.488 52.037 0.338 0.000 0.724 332 A CB 1.197 20.228 19.000 0.051 0.000 1.267 332 A HN 0.943 nan 8.150 nan 0.000 0.418 333 Y N 3.007 123.327 120.300 0.033 0.000 2.367 333 Y HA 0.635 5.185 4.550 0.001 0.000 0.342 333 Y C -0.017 175.816 175.900 -0.113 0.000 0.979 333 Y CA -0.090 57.867 58.100 -0.239 0.000 1.161 333 Y CB 0.537 38.755 38.460 -0.403 0.000 1.155 333 Y HN 0.629 nan 8.280 nan 0.000 0.503 334 R N 3.988 124.245 120.500 -0.406 0.000 2.651 334 R HA 0.231 4.572 4.340 0.001 0.000 0.278 334 R C -0.561 175.506 176.300 -0.388 0.000 1.010 334 R CA -1.215 54.719 56.100 -0.277 0.000 0.896 334 R CB 1.274 31.503 30.300 -0.119 0.000 1.211 334 R HN 0.940 nan 8.270 nan 0.000 0.456 335 N N 0.699 119.235 118.700 -0.273 0.000 2.727 335 N HA -0.254 4.486 4.740 0.001 0.000 0.249 335 N C 0.586 175.921 175.510 -0.291 0.000 1.048 335 N CA 0.862 53.785 53.050 -0.213 0.000 0.714 335 N CB -0.667 37.734 38.487 -0.143 0.000 0.959 335 N HN 1.056 nan 8.380 nan 0.000 0.544 336 G N -0.582 107.939 108.800 -0.464 0.000 2.155 336 G HA2 -0.391 3.569 3.960 0.001 0.000 0.257 336 G HA3 -0.391 3.569 3.960 0.001 0.000 0.257 336 G C -0.022 174.562 174.900 -0.526 0.000 0.983 336 G CA 1.169 46.009 45.100 -0.434 0.000 0.676 336 G HN 0.793 nan 8.290 nan 0.000 0.528 337 K N -1.261 118.715 120.400 -0.706 0.000 2.509 337 K HA 0.647 4.968 4.320 0.001 0.000 0.266 337 K C -1.191 175.108 176.600 -0.502 0.000 0.987 337 K CA -1.325 54.700 56.287 -0.438 0.000 0.868 337 K CB 1.403 33.804 32.500 -0.166 0.000 1.421 337 K HN 0.017 nan 8.250 nan 0.000 0.444 338 Y N 0.516 120.730 120.300 -0.144 0.000 2.327 338 Y HA 0.267 4.817 4.550 0.001 0.000 0.336 338 Y C 0.067 175.956 175.900 -0.018 0.000 1.035 338 Y CA -0.624 57.444 58.100 -0.054 0.000 1.165 338 Y CB 1.727 40.106 38.460 -0.135 0.000 1.181 338 Y HN 0.188 nan 8.280 nan 0.000 0.494 339 V N 3.438 123.446 119.914 0.157 0.000 2.481 339 V HA 0.094 4.214 4.120 0.001 0.000 0.286 339 V C -0.080 176.128 176.094 0.190 0.000 1.042 339 V CA -0.990 61.373 62.300 0.105 0.000 0.928 339 V CB 1.481 33.316 31.823 0.019 0.000 0.986 339 V HN 0.635 nan 8.190 nan 0.000 0.462 340 D N 3.053 123.535 120.400 0.137 0.000 2.338 340 D HA 0.139 4.780 4.640 0.001 0.000 0.255 340 D C 0.129 176.472 176.300 0.072 0.000 1.237 340 D CA -0.089 53.994 54.000 0.138 0.000 0.883 340 D CB 0.846 41.706 40.800 0.099 0.000 1.087 340 D HN 0.639 nan 8.370 nan 0.000 0.485 341 c N 3.468 122.108 118.600 0.065 0.000 2.742 341 c HA 0.165 4.735 4.570 0.001 0.000 0.283 341 c C 0.815 174.879 174.090 -0.043 0.000 1.451 341 c CA -0.556 55.763 56.329 -0.016 0.000 1.785 341 c CB -1.500 40.976 42.510 -0.056 0.000 2.664 341 c HN 0.649 nan 8.230 nan 0.000 0.544 342 T N -0.248 114.279 114.554 -0.044 0.000 2.930 342 T HA 0.483 4.834 4.350 0.001 0.000 0.306 342 T C 0.734 175.425 174.700 -0.016 0.000 1.045 342 T CA 0.937 62.954 62.100 -0.138 0.000 1.134 342 T CB 0.862 69.595 68.868 -0.226 0.000 0.961 342 T HN 1.402 nan 8.240 nan 0.000 0.545 346 F N 1.288 121.126 119.950 -0.187 0.000 2.293 346 F HA 0.144 4.672 4.527 0.001 0.000 0.300 346 F C 2.617 178.394 175.800 -0.039 0.000 1.086 346 F CA 0.964 58.889 58.000 -0.125 0.000 1.375 346 F CB -0.017 38.822 39.000 -0.267 0.000 1.045 346 F HN 0.548 nan 8.300 nan 0.000 0.516 347 R N -0.172 120.394 120.500 0.110 0.000 2.083 347 R HA -0.217 4.124 4.340 0.001 0.000 0.237 347 R C 2.195 178.486 176.300 -0.015 0.000 1.137 347 R CA 1.939 58.061 56.100 0.036 0.000 0.951 347 R CB -0.598 29.715 30.300 0.021 0.000 0.851 347 R HN 0.417 nan 8.270 nan 0.000 0.434 348 Q N -0.279 119.507 119.800 -0.022 0.000 2.061 348 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 348 Q C 1.908 177.891 176.000 -0.027 0.000 0.984 348 Q CA 1.619 57.401 55.803 -0.036 0.000 0.846 348 Q CB -0.194 28.514 28.738 -0.051 0.000 0.902 348 Q HN 0.372 nan 8.270 nan 0.000 0.421 349 F N 0.858 120.630 119.950 -0.296 0.000 2.065 349 F HA -0.309 4.219 4.527 0.001 0.000 0.298 349 F C 1.975 177.546 175.800 -0.382 0.000 1.112 349 F CA 0.758 58.500 58.000 -0.429 0.000 1.212 349 F CB 0.038 38.537 39.000 -0.835 0.000 0.975 349 F HN 0.082 nan 8.300 nan 0.000 0.476 350 L N 0.097 121.183 121.223 -0.228 0.000 2.043 350 L HA -0.276 4.065 4.340 0.001 0.000 0.212 350 L C 2.511 179.303 176.870 -0.130 0.000 1.075 350 L CA 1.299 56.002 54.840 -0.228 0.000 0.752 350 L CB -0.730 41.245 42.059 -0.140 0.000 0.891 350 L HN 0.196 nan 8.230 nan 0.000 0.432 351 A N -0.857 121.919 122.820 -0.074 0.000 2.238 351 A HA 0.274 4.595 4.320 0.001 0.000 0.208 351 A C 1.623 179.187 177.584 -0.033 0.000 1.177 351 A CA 0.677 52.682 52.037 -0.052 0.000 0.804 351 A CB -0.425 18.551 19.000 -0.040 0.000 0.823 351 A HN 0.547 nan 8.150 nan 0.000 0.482 352 G N -0.453 108.343 108.800 -0.008 0.000 2.147 352 G HA2 -0.257 3.704 3.960 0.001 0.000 0.244 352 G HA3 -0.257 3.704 3.960 0.001 0.000 0.244 352 G C 0.434 175.329 174.900 -0.007 0.000 1.005 352 G CA 0.646 45.754 45.100 0.013 0.000 0.713 352 G HN 0.526 nan 8.290 nan 0.000 0.515 353 K N -0.457 119.932 120.400 -0.020 0.000 2.537 353 K HA 0.344 4.665 4.320 0.001 0.000 0.206 353 K C 0.706 177.267 176.600 -0.065 0.000 1.041 353 K CA -0.494 55.770 56.287 -0.039 0.000 1.090 353 K CB 0.605 33.086 32.500 -0.032 0.000 0.833 353 K HN 0.348 nan 8.250 nan 0.000 0.493 354 L N 2.667 123.826 121.223 -0.106 0.000 2.456 354 L HA 0.081 4.422 4.340 0.001 0.000 0.277 354 L C -1.654 175.130 176.870 -0.142 0.000 1.124 354 L CA -1.574 53.159 54.840 -0.178 0.000 0.880 354 L CB 0.897 42.726 42.059 -0.383 0.000 1.192 354 L HN -0.076 nan 8.230 nan 0.000 0.463 355 P HA -0.220 nan 4.420 nan 0.000 0.217 355 P C 1.671 178.919 177.300 -0.087 0.000 1.151 355 P CA 1.357 64.412 63.100 -0.075 0.000 0.849 355 P CB -0.013 31.656 31.700 -0.052 0.000 0.787 356 c N -2.782 115.750 118.600 -0.114 0.000 2.432 356 c HA 0.054 4.625 4.570 0.001 0.000 0.280 356 c C 1.260 175.271 174.090 -0.132 0.000 1.353 356 c CA 0.145 56.409 56.329 -0.108 0.000 1.766 356 c CB -1.725 40.719 42.510 -0.108 0.000 1.924 356 c HN 0.077 nan 8.230 nan 0.000 0.509 357 L N 1.596 122.707 121.223 -0.186 0.000 2.475 357 L HA 0.372 4.712 4.340 0.001 0.000 0.253 357 L C -2.506 174.288 176.870 -0.127 0.000 1.483 357 L CA -1.393 53.345 54.840 -0.170 0.000 0.869 357 L CB 1.142 43.045 42.059 -0.261 0.000 1.086 357 L HN 0.016 nan 8.230 nan 0.000 0.514 358 P HA 0.118 nan 4.420 nan 0.000 0.267 358 P C 0.987 178.264 177.300 -0.037 0.000 1.205 358 P CA 0.915 63.979 63.100 -0.061 0.000 0.765 358 P CB 1.378 33.050 31.700 -0.047 0.000 0.828 359 G N 1.971 110.756 108.800 -0.025 0.000 2.205 359 G HA2 -0.203 3.758 3.960 0.001 0.000 0.261 359 G HA3 -0.203 3.758 3.960 0.001 0.000 0.261 359 G C 0.131 175.038 174.900 0.011 0.000 0.980 359 G CA -0.191 44.903 45.100 -0.010 0.000 0.632 359 G HN 0.566 nan 8.290 nan 0.000 0.533 360 E N 0.248 120.468 120.200 0.034 0.000 2.331 360 E HA 0.549 4.899 4.350 0.001 0.000 0.272 360 E C 0.405 177.130 176.600 0.209 0.000 1.036 360 E CA -0.242 56.221 56.400 0.105 0.000 0.864 360 E CB 1.330 31.108 29.700 0.130 0.000 1.035 360 E HN 0.405 nan 8.360 nan 0.000 0.408 361 L N 4.326 125.604 121.223 0.091 0.000 2.325 361 L HA 0.398 4.738 4.340 0.001 0.000 0.278 361 L C -2.024 174.638 176.870 -0.345 0.000 1.023 361 L CA -2.058 52.721 54.840 -0.100 0.000 0.811 361 L CB 1.574 43.557 42.059 -0.127 0.000 1.249 361 L HN 0.244 nan 8.230 nan 0.000 0.431 362 P HA 0.157 nan 4.420 nan 0.000 0.277 362 P C -0.621 176.404 177.300 -0.458 0.000 1.240 362 P CA -0.317 62.123 63.100 -1.101 0.000 0.798 362 P CB 1.113 31.944 31.700 -1.448 0.000 0.979 363 T N -1.088 113.318 114.554 -0.248 0.000 2.923 363 T HA 0.262 4.613 4.350 0.001 0.000 0.281 363 T C 0.981 175.623 174.700 -0.097 0.000 0.995 363 T CA -0.257 61.745 62.100 -0.162 0.000 0.985 363 T CB 0.131 68.989 68.868 -0.017 0.000 1.114 363 T HN 0.182 nan 8.240 nan 0.000 0.548 364 Y N 0.361 120.654 120.300 -0.012 0.000 2.274 364 Y HA -0.056 4.495 4.550 0.001 0.000 0.290 364 Y C 2.878 178.750 175.900 -0.048 0.000 1.145 364 Y CA 1.314 59.370 58.100 -0.073 0.000 1.203 364 Y CB -0.638 37.798 38.460 -0.040 0.000 0.984 364 Y HN 0.737 nan 8.280 nan 0.000 0.533 365 N N 0.116 118.930 118.700 0.191 0.000 2.142 365 N HA -0.184 4.556 4.740 0.001 0.000 0.186 365 N C 1.118 176.748 175.510 0.201 0.000 1.023 365 N CA 1.367 54.516 53.050 0.165 0.000 0.852 365 N CB -0.044 38.530 38.487 0.146 0.000 0.998 365 N HN 0.330 nan 8.380 nan 0.000 0.424 366 D N 0.301 120.853 120.400 0.253 0.000 2.123 366 D HA -0.210 4.431 4.640 0.001 0.000 0.196 366 D C 1.569 178.183 176.300 0.524 0.000 0.992 366 D CA 0.656 54.907 54.000 0.419 0.000 0.833 366 D CB -0.604 40.427 40.800 0.384 0.000 0.954 366 D HN 0.522 nan 8.370 nan 0.000 0.455 367 W N 1.797 123.158 121.300 0.101 0.000 2.379 367 W HA -0.217 4.444 4.660 0.001 0.000 0.307 367 W C 2.211 178.626 176.519 -0.173 0.000 1.200 367 W CA 1.190 58.367 57.345 -0.279 0.000 1.297 367 W CB 0.131 29.343 29.460 -0.414 0.000 1.140 367 W HN -0.081 nan 8.180 nan 0.000 0.507 368 E N 0.915 121.025 120.200 -0.150 0.000 2.049 368 E HA -0.287 4.063 4.350 0.001 0.000 0.198 368 E C 1.629 178.208 176.600 -0.036 0.000 1.007 368 E CA 2.516 58.847 56.400 -0.114 0.000 0.809 368 E CB -0.993 28.748 29.700 0.069 0.000 0.749 368 E HN 0.394 nan 8.360 nan 0.000 0.450 369 N N -1.373 117.395 118.700 0.113 0.000 2.104 369 N HA -0.236 4.504 4.740 0.001 0.000 0.190 369 N C 1.824 177.431 175.510 0.162 0.000 1.024 369 N CA 1.184 54.367 53.050 0.222 0.000 0.853 369 N CB -0.317 38.398 38.487 0.379 0.000 1.008 369 N HN 0.277 nan 8.380 nan 0.000 0.424 370 H N 1.066 120.140 119.070 0.007 0.000 2.357 370 H HA 0.073 4.629 4.556 0.001 0.000 0.301 370 H C 1.932 177.048 175.328 -0.353 0.000 1.082 370 H CA 1.130 57.096 56.048 -0.135 0.000 1.342 370 H CB -0.216 29.514 29.762 -0.052 0.000 1.389 370 H HN 0.110 nan 8.280 nan 0.000 0.511 371 L N -0.400 120.472 121.223 -0.584 0.000 2.191 371 L HA -0.136 4.205 4.340 0.001 0.000 0.212 371 L C 1.847 178.492 176.870 -0.375 0.000 1.103 371 L CA 1.629 56.114 54.840 -0.592 0.000 0.769 371 L CB -0.277 41.420 42.059 -0.603 0.000 0.908 371 L HN 0.338 nan 8.230 nan 0.000 0.438 372 T N -2.110 112.303 114.554 -0.234 0.000 3.148 372 T HA -0.046 4.304 4.350 0.001 0.000 0.253 372 T C 1.591 176.229 174.700 -0.103 0.000 1.134 372 T CA 1.177 63.234 62.100 -0.073 0.000 1.051 372 T CB -0.200 68.712 68.868 0.073 0.000 0.959 372 T HN 0.475 nan 8.240 nan 0.000 0.525 373 T N -0.561 113.753 114.554 -0.401 0.000 3.105 373 T HA 0.409 4.760 4.350 0.001 0.000 0.253 373 T C 0.366 174.241 174.700 -1.374 0.000 1.047 373 T CA -0.376 61.295 62.100 -0.716 0.000 0.944 373 T CB -0.450 68.001 68.868 -0.696 0.000 1.016 373 T HN 0.266 nan 8.240 nan 0.000 0.544 374 I N 1.438 121.371 120.570 -1.062 0.000 2.359 374 I HA 0.432 4.603 4.170 0.001 0.000 0.294 374 I C -0.806 174.948 176.117 -0.606 0.000 0.987 374 I CA -1.208 59.625 61.300 -0.779 0.000 1.225 374 I CB 1.297 39.044 38.000 -0.423 0.000 1.366 374 I HN 0.035 nan 8.210 nan 0.000 0.466 375 F N 6.026 126.006 119.950 0.051 0.000 2.679 375 F HA 0.375 4.903 4.527 0.001 0.000 0.354 375 F C -2.383 173.352 175.800 -0.108 0.000 1.423 375 F CA -2.463 55.517 58.000 -0.033 0.000 1.141 375 F CB -0.268 38.787 39.000 0.092 0.000 1.168 375 F HN 0.218 nan 8.300 nan 0.000 0.530 376 P HA 0.174 nan 4.420 nan 0.000 0.282 376 P C 0.905 178.172 177.300 -0.055 0.000 1.287 376 P CA -0.190 62.954 63.100 0.072 0.000 0.792 376 P CB 1.283 33.089 31.700 0.176 0.000 1.163 377 E N -0.999 119.174 120.200 -0.045 0.000 2.204 377 E HA -0.002 4.349 4.350 0.001 0.000 0.195 377 E C 0.245 176.785 176.600 -0.100 0.000 0.990 377 E CA 1.051 57.396 56.400 -0.091 0.000 0.821 377 E CB -0.196 29.492 29.700 -0.021 0.000 0.750 377 E HN 0.166 nan 8.360 nan 0.000 0.477 378 V N 0.757 120.647 119.914 -0.041 0.000 2.709 378 V HA 0.360 4.481 4.120 0.001 0.000 0.308 378 V C -0.138 175.891 176.094 -0.108 0.000 1.062 378 V CA -0.897 61.314 62.300 -0.149 0.000 0.901 378 V CB 2.916 34.632 31.823 -0.178 0.000 1.003 378 V HN -0.056 nan 8.190 nan 0.000 0.425 379 R N 3.077 123.420 120.500 -0.263 0.000 2.740 379 R HA 0.752 5.092 4.340 0.001 0.000 0.282 379 R C -2.027 173.997 176.300 -0.460 0.000 0.969 379 R CA -0.776 55.217 56.100 -0.178 0.000 0.918 379 R CB 2.020 32.276 30.300 -0.074 0.000 1.175 379 R HN 0.561 nan 8.270 nan 0.000 0.464 380 L N 3.488 124.435 121.223 -0.460 0.000 2.325 380 L HA 0.466 4.807 4.340 0.001 0.000 0.281 380 L C -0.752 175.894 176.870 -0.373 0.000 1.004 380 L CA 0.060 54.541 54.840 -0.600 0.000 0.823 380 L CB 1.478 42.969 42.059 -0.946 0.000 1.236 380 L HN 0.739 nan 8.230 nan 0.000 0.415 381 K N 3.195 123.372 120.400 -0.372 0.000 2.673 381 K HA 0.467 4.788 4.320 0.001 0.000 0.299 381 K C 0.632 177.107 176.600 -0.207 0.000 0.969 381 K CA -0.682 55.417 56.287 -0.314 0.000 1.151 381 K CB 0.583 32.801 32.500 -0.470 0.000 3.456 381 K HN 0.346 nan 8.250 nan 0.000 1.144 382 R N 0.409 120.707 120.500 -0.338 0.000 2.313 382 R HA 0.068 4.409 4.340 0.001 0.000 0.199 382 R C -0.106 176.075 176.300 -0.197 0.000 0.958 382 R CA 0.658 56.639 56.100 -0.200 0.000 1.047 382 R CB -0.031 30.092 30.300 -0.296 0.000 0.955 382 R HN 0.360 nan 8.270 nan 0.000 0.481 388 G N 0.690 109.448 108.800 -0.070 0.000 2.712 388 G HA2 0.258 4.218 3.960 0.001 0.000 0.212 388 G HA3 0.258 4.218 3.960 0.001 0.000 0.212 388 G C 0.483 175.410 174.900 0.045 0.000 1.142 388 G CA 0.647 45.744 45.100 -0.005 0.000 0.789 388 G HN 0.240 nan 8.290 nan 0.000 0.535 389 A N 0.669 123.497 122.820 0.012 0.000 2.292 389 A HA 0.573 4.893 4.320 0.001 0.000 0.319 389 A C -0.852 176.774 177.584 0.071 0.000 1.206 389 A CA -0.598 51.438 52.037 -0.001 0.000 0.835 389 A CB 0.787 19.605 19.000 -0.304 0.000 1.164 389 A HN 0.118 nan 8.150 nan 0.000 0.505 390 D N 1.518 122.012 120.400 0.156 0.000 2.399 390 D HA 0.397 5.037 4.640 0.001 0.000 0.241 390 D C 1.099 177.512 176.300 0.188 0.000 1.133 390 D CA 1.052 55.166 54.000 0.190 0.000 0.890 390 D CB 0.731 41.655 40.800 0.207 0.000 1.201 390 D HN 0.711 nan 8.370 nan 0.000 0.432 391 G N 0.037 108.950 108.800 0.188 0.000 2.562 391 G HA2 0.458 4.418 3.960 0.001 0.000 0.233 391 G HA3 0.458 4.418 3.960 0.001 0.000 0.233 391 G C 0.301 175.335 174.900 0.223 0.000 1.266 391 G CA 0.107 45.330 45.100 0.204 0.000 0.852 391 G HN 0.559 nan 8.290 nan 0.000 0.581 392 G N 1.028 109.969 108.800 0.235 0.000 2.550 392 G HA2 0.702 4.662 3.960 0.001 0.000 0.293 392 G HA3 0.702 4.662 3.960 0.001 0.000 0.293 392 G C -3.107 171.887 174.900 0.157 0.000 1.402 392 G CA -0.797 44.409 45.100 0.178 0.000 0.784 392 G HN 0.608 nan 8.290 nan 0.000 0.482 393 P HA 0.016 nan 4.420 nan 0.000 0.271 393 P C 1.059 178.450 177.300 0.153 0.000 1.244 393 P CA -0.317 62.783 63.100 -0.001 0.000 0.793 393 P CB 0.614 32.277 31.700 -0.061 0.000 0.984 394 W N 2.584 124.004 121.300 0.201 0.000 2.342 394 W HA -0.128 4.532 4.660 0.001 0.000 0.297 394 W C 1.359 177.968 176.519 0.150 0.000 1.213 394 W CA 0.713 58.181 57.345 0.206 0.000 1.251 394 W CB -1.342 28.247 29.460 0.215 0.000 1.136 394 W HN 0.280 nan 8.180 nan 0.000 0.526 395 R N 0.498 120.510 120.500 -0.813 0.000 2.120 395 R HA -0.055 4.286 4.340 0.001 0.000 0.234 395 R C 2.564 178.760 176.300 -0.173 0.000 1.123 395 R CA 1.449 57.109 56.100 -0.734 0.000 0.975 395 R CB -0.346 29.439 30.300 -0.860 0.000 0.866 395 R HN 0.173 nan 8.270 nan 0.000 0.446 396 R N 0.400 120.858 120.500 -0.070 0.000 2.193 396 R HA 0.050 4.390 4.340 0.001 0.000 0.213 396 R C 2.126 178.562 176.300 0.228 0.000 1.055 396 R CA 0.535 56.712 56.100 0.129 0.000 0.995 396 R CB -0.005 30.370 30.300 0.124 0.000 0.893 396 R HN 0.211 nan 8.270 nan 0.000 0.459 397 L N -0.517 120.799 121.223 0.153 0.000 2.141 397 L HA -0.205 4.135 4.340 0.001 0.000 0.209 397 L C 2.172 179.091 176.870 0.082 0.000 1.094 397 L CA 0.895 55.800 54.840 0.107 0.000 0.763 397 L CB -0.338 41.743 42.059 0.037 0.000 0.908 397 L HN 0.279 nan 8.230 nan 0.000 0.437 398 c N -0.629 118.034 118.600 0.104 0.000 2.512 398 c HA 0.150 4.720 4.570 0.001 0.000 0.276 398 c C 3.037 177.137 174.090 0.017 0.000 1.368 398 c CA 0.284 56.613 56.329 -0.001 0.000 1.755 398 c CB -0.714 41.851 42.510 0.091 0.000 2.008 398 c HN 0.562 nan 8.230 nan 0.000 0.511 399 A N 0.590 123.505 122.820 0.158 0.000 1.929 399 A HA -0.044 4.277 4.320 0.001 0.000 0.216 399 A C 2.184 179.941 177.584 0.288 0.000 1.176 399 A CA 1.031 53.212 52.037 0.240 0.000 0.628 399 A CB -0.591 18.547 19.000 0.230 0.000 0.816 399 A HN 0.501 nan 8.150 nan 0.000 0.444 400 L N 0.512 121.857 121.223 0.204 0.000 1.994 400 L HA -0.072 4.269 4.340 0.001 0.000 0.208 400 L C -0.757 176.169 176.870 0.094 0.000 1.071 400 L CA 2.586 57.376 54.840 -0.083 0.000 0.745 400 L CB -1.809 40.002 42.059 -0.413 0.000 0.892 400 L HN 0.201 nan 8.230 nan 0.000 0.431 401 P HA -0.134 nan 4.420 nan 0.000 0.216 401 P C 1.574 178.905 177.300 0.051 0.000 1.150 401 P CA 1.992 65.124 63.100 0.053 0.000 0.837 401 P CB -0.164 31.508 31.700 -0.047 0.000 0.786 402 A N -0.565 122.281 122.820 0.043 0.000 1.908 402 A HA -0.209 4.111 4.320 0.001 0.000 0.218 402 A C 2.159 179.804 177.584 0.101 0.000 1.181 402 A CA 1.481 53.562 52.037 0.073 0.000 0.627 402 A CB -1.843 17.245 19.000 0.146 0.000 0.818 402 A HN 0.139 nan 8.150 nan 0.000 0.445 403 F N -0.828 119.090 119.950 -0.053 0.000 2.069 403 F HA -0.217 4.310 4.527 0.001 0.000 0.298 403 F C 2.007 177.639 175.800 -0.279 0.000 1.113 403 F CA 1.981 59.860 58.000 -0.202 0.000 1.214 403 F CB -0.513 38.300 39.000 -0.312 0.000 0.978 403 F HN 0.405 nan 8.300 nan 0.000 0.474 404 W N -0.650 120.639 121.300 -0.018 0.000 2.476 404 W HA -0.037 4.623 4.660 0.001 0.000 0.281 404 W C 2.347 178.715 176.519 -0.252 0.000 1.230 404 W CA 0.934 58.169 57.345 -0.183 0.000 1.287 404 W CB -0.714 28.681 29.460 -0.108 0.000 1.108 404 W HN -0.233 nan 8.180 nan 0.000 0.567 405 V N 0.697 120.590 119.914 -0.036 0.000 2.295 405 V HA -0.238 3.883 4.120 0.001 0.000 0.246 405 V C 2.428 178.520 176.094 -0.003 0.000 1.049 405 V CA 2.167 64.374 62.300 -0.155 0.000 1.024 405 V CB -1.537 30.227 31.823 -0.098 0.000 0.648 405 V HN 0.367 nan 8.190 nan 0.000 0.447 406 G N -0.476 108.315 108.800 -0.016 0.000 2.442 406 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 406 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 406 G C 1.562 176.438 174.900 -0.040 0.000 1.141 406 G CA 1.083 46.177 45.100 -0.011 0.000 0.763 406 G HN 0.487 nan 8.290 nan 0.000 0.554 407 L N -0.771 120.379 121.223 -0.123 0.000 2.202 407 L HA 0.259 4.600 4.340 0.001 0.000 0.205 407 L C 2.521 179.409 176.870 0.029 0.000 1.083 407 L CA 0.402 55.177 54.840 -0.109 0.000 0.790 407 L CB -0.086 41.813 42.059 -0.266 0.000 0.942 407 L HN 0.142 nan 8.230 nan 0.000 0.452 408 L N -2.521 118.752 121.223 0.083 0.000 2.556 408 L HA 0.034 4.375 4.340 0.001 0.000 0.226 408 L C 1.460 178.515 176.870 0.308 0.000 1.089 408 L CA 0.036 54.957 54.840 0.135 0.000 0.864 408 L CB 0.100 42.204 42.059 0.075 0.000 1.067 408 L HN 0.170 nan 8.230 nan 0.000 0.477 409 Y N -0.245 120.117 120.300 0.103 0.000 2.457 409 Y HA 0.192 4.742 4.550 0.001 0.000 0.263 409 Y C 0.619 176.676 175.900 0.262 0.000 1.164 409 Y CA -0.718 57.532 58.100 0.250 0.000 1.274 409 Y CB 0.081 38.700 38.460 0.264 0.000 1.097 409 Y HN 0.029 nan 8.280 nan 0.000 0.523 410 D N 0.219 120.793 120.400 0.289 0.000 2.344 410 D HA 0.059 4.699 4.640 0.001 0.000 0.239 410 D C 0.693 177.082 176.300 0.149 0.000 1.064 410 D CA 0.062 54.172 54.000 0.182 0.000 0.829 410 D CB 1.921 42.792 40.800 0.119 0.000 1.129 410 D HN -0.022 nan 8.370 nan 0.000 0.506 411 E N 2.577 122.856 120.200 0.132 0.000 2.150 411 E HA -0.138 4.213 4.350 0.001 0.000 0.193 411 E C 0.827 177.469 176.600 0.069 0.000 0.985 411 E CA 1.319 57.785 56.400 0.110 0.000 0.814 411 E CB 0.249 30.006 29.700 0.096 0.000 0.752 411 E HN 0.497 nan 8.360 nan 0.000 0.466 412 D N -0.836 119.597 120.400 0.054 0.000 2.162 412 D HA -0.070 4.571 4.640 0.001 0.000 0.203 412 D C 1.973 178.291 176.300 0.030 0.000 0.967 412 D CA 0.777 54.798 54.000 0.035 0.000 0.840 412 D CB -0.012 40.804 40.800 0.027 0.000 0.972 412 D HN 0.092 nan 8.370 nan 0.000 0.482 413 V N 1.502 121.437 119.914 0.036 0.000 2.343 413 V HA -0.207 3.913 4.120 0.001 0.000 0.247 413 V C 2.504 178.608 176.094 0.017 0.000 1.051 413 V CA 0.970 63.282 62.300 0.020 0.000 1.036 413 V CB -0.439 31.395 31.823 0.018 0.000 0.654 413 V HN 0.123 nan 8.190 nan 0.000 0.451 414 L N 0.235 121.482 121.223 0.040 0.000 2.012 414 L HA -0.219 4.121 4.340 0.001 0.000 0.210 414 L C 2.466 179.346 176.870 0.017 0.000 1.073 414 L CA 2.323 57.186 54.840 0.038 0.000 0.748 414 L CB -0.876 41.224 42.059 0.068 0.000 0.891 414 L HN 0.361 nan 8.230 nan 0.000 0.431 415 Q N -0.678 119.135 119.800 0.021 0.000 2.084 415 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 415 Q C 2.265 178.262 176.000 -0.005 0.000 0.978 415 Q CA 2.207 58.015 55.803 0.009 0.000 0.844 415 Q CB -0.390 28.357 28.738 0.015 0.000 0.898 415 Q HN 0.603 nan 8.270 nan 0.000 0.426 416 S N -0.924 114.774 115.700 -0.003 0.000 2.370 416 S HA -0.128 4.343 4.470 0.001 0.000 0.226 416 S C 1.894 176.475 174.600 -0.032 0.000 1.033 416 S CA 1.228 59.421 58.200 -0.011 0.000 1.011 416 S CB -0.375 62.823 63.200 -0.004 0.000 0.852 416 S HN 0.263 nan 8.310 nan 0.000 0.457 417 V N 2.089 121.979 119.914 -0.039 0.000 2.295 417 V HA -0.139 3.982 4.120 0.001 0.000 0.246 417 V C 2.146 178.175 176.094 -0.109 0.000 1.049 417 V CA 1.495 63.753 62.300 -0.071 0.000 1.024 417 V CB -0.691 31.104 31.823 -0.047 0.000 0.648 417 V HN 0.427 nan 8.190 nan 0.000 0.447 418 L N -0.289 120.892 121.223 -0.070 0.000 2.083 418 L HA -0.174 4.166 4.340 0.001 0.000 0.209 418 L C 2.323 179.142 176.870 -0.086 0.000 1.083 418 L CA 1.423 56.218 54.840 -0.074 0.000 0.752 418 L CB -0.765 41.273 42.059 -0.035 0.000 0.899 418 L HN 0.332 nan 8.230 nan 0.000 0.433 419 D N 0.146 120.509 120.400 -0.061 0.000 2.097 419 D HA -0.190 4.451 4.640 0.001 0.000 0.195 419 D C 2.051 178.307 176.300 -0.073 0.000 0.989 419 D CA 1.073 55.045 54.000 -0.046 0.000 0.827 419 D CB -0.213 40.575 40.800 -0.020 0.000 0.966 419 D HN 0.124 nan 8.370 nan 0.000 0.456 420 L N 0.567 121.728 121.223 -0.103 0.000 2.083 420 L HA -0.106 4.234 4.340 0.001 0.000 0.209 420 L C 1.989 178.657 176.870 -0.337 0.000 1.083 420 L CA 1.992 56.764 54.840 -0.114 0.000 0.752 420 L CB -0.749 41.256 42.059 -0.090 0.000 0.899 420 L HN 0.154 nan 8.230 nan 0.000 0.433 421 T N -4.388 109.813 114.554 -0.588 0.000 3.069 421 T HA 0.320 4.670 4.350 0.001 0.000 0.252 421 T C 1.756 176.128 174.700 -0.548 0.000 1.053 421 T CA 0.289 61.668 62.100 -1.201 0.000 0.964 421 T CB -0.207 67.993 68.868 -1.114 0.000 1.005 421 T HN 0.275 nan 8.240 nan 0.000 0.532 422 A N 3.392 126.075 122.820 -0.228 0.000 1.917 422 A HA -0.171 4.150 4.320 0.001 0.000 0.219 422 A C 2.030 179.632 177.584 0.030 0.000 1.182 422 A CA 1.951 53.956 52.037 -0.053 0.000 0.633 422 A CB -0.756 18.232 19.000 -0.020 0.000 0.819 422 A HN 0.724 nan 8.150 nan 0.000 0.448 423 D N -2.459 117.996 120.400 0.092 0.000 2.328 423 D HA 0.010 4.651 4.640 0.001 0.000 0.221 423 D C -0.288 176.205 176.300 0.321 0.000 1.072 423 D CA -0.509 53.595 54.000 0.174 0.000 0.850 423 D CB -0.494 40.400 40.800 0.155 0.000 0.922 423 D HN 0.407 nan 8.370 nan 0.000 0.516 424 W N 2.813 124.146 121.300 0.054 0.000 2.251 424 W HA 0.267 4.928 4.660 0.001 0.000 0.327 424 W C 1.043 177.539 176.519 -0.038 0.000 1.361 424 W CA -1.043 56.338 57.345 0.060 0.000 1.234 424 W CB -0.069 29.427 29.460 0.061 0.000 1.212 424 W HN -0.152 nan 8.180 nan 0.000 0.557 425 T N 1.302 115.951 114.554 0.159 0.000 2.882 425 T HA 0.229 4.579 4.350 0.001 0.000 0.287 425 T C -1.644 173.034 174.700 -0.036 0.000 1.014 425 T CA -1.562 60.560 62.100 0.038 0.000 1.049 425 T CB 1.566 70.449 68.868 0.026 0.000 1.001 425 T HN 0.078 nan 8.240 nan 0.000 0.525 426 P HA -0.095 nan 4.420 nan 0.000 0.216 426 P C 1.651 178.910 177.300 -0.069 0.000 1.153 426 P CA 1.629 64.655 63.100 -0.124 0.000 0.858 426 P CB -0.306 31.346 31.700 -0.081 0.000 0.789 427 A N -0.367 122.433 122.820 -0.033 0.000 1.930 427 A HA -0.213 4.108 4.320 0.001 0.000 0.217 427 A C 2.176 179.752 177.584 -0.014 0.000 1.175 427 A CA 1.566 53.593 52.037 -0.017 0.000 0.627 427 A CB -1.129 17.867 19.000 -0.007 0.000 0.815 427 A HN 0.171 nan 8.150 nan 0.000 0.443 428 E N -0.504 119.693 120.200 -0.005 0.000 2.072 428 E HA -0.161 4.190 4.350 0.001 0.000 0.191 428 E C 2.363 178.925 176.600 -0.065 0.000 0.985 428 E CA 0.993 57.397 56.400 0.007 0.000 0.801 428 E CB -0.123 29.621 29.700 0.073 0.000 0.750 428 E HN 0.524 nan 8.360 nan 0.000 0.452 429 R N 0.853 121.319 120.500 -0.056 0.000 2.075 429 R HA -0.074 4.266 4.340 0.001 0.000 0.232 429 R C 1.439 177.710 176.300 -0.048 0.000 1.126 429 R CA 0.629 56.694 56.100 -0.058 0.000 0.963 429 R CB -0.210 30.037 30.300 -0.089 0.000 0.858 429 R HN 0.068 nan 8.270 nan 0.000 0.435 433 R N 1.722 122.221 120.500 -0.000 0.000 2.081 433 R HA -0.074 4.267 4.340 0.001 0.000 0.235 433 R C 1.176 177.521 176.300 0.076 0.000 1.131 433 R CA 2.416 58.543 56.100 0.045 0.000 0.960 433 R CB -0.207 30.123 30.300 0.050 0.000 0.856 433 R HN 0.501 nan 8.270 nan 0.000 0.436 434 N N -0.301 118.441 118.700 0.071 0.000 2.376 434 N HA -0.044 4.697 4.740 0.001 0.000 0.177 434 N C 1.527 177.108 175.510 0.118 0.000 1.024 434 N CA 0.754 53.872 53.050 0.112 0.000 0.893 434 N CB 0.182 38.727 38.487 0.097 0.000 0.980 434 N HN 0.140 nan 8.380 nan 0.000 0.439 435 K N 0.140 120.576 120.400 0.060 0.000 2.242 435 K HA 0.139 4.460 4.320 0.001 0.000 0.200 435 K C 1.678 178.294 176.600 0.028 0.000 1.050 435 K CA 0.098 56.404 56.287 0.032 0.000 0.981 435 K CB 0.223 32.722 32.500 -0.003 0.000 0.795 435 K HN -0.087 nan 8.250 nan 0.000 0.477 436 V N 2.042 121.975 119.914 0.031 0.000 2.317 436 V HA -0.219 3.902 4.120 0.001 0.000 0.251 436 V C -1.188 174.945 176.094 0.066 0.000 1.065 436 V CA 1.976 64.293 62.300 0.029 0.000 1.049 436 V CB -1.006 30.835 31.823 0.030 0.000 0.651 436 V HN 0.215 nan 8.190 nan 0.000 0.450 437 P HA -0.121 nan 4.420 nan 0.000 0.218 437 P C 1.603 179.039 177.300 0.226 0.000 1.146 437 P CA 1.375 64.614 63.100 0.232 0.000 0.813 437 P CB -0.006 31.905 31.700 0.352 0.000 0.778 438 V N -1.367 118.577 119.914 0.049 0.000 2.581 438 V HA -0.064 4.057 4.120 0.001 0.000 0.240 438 V C 2.171 178.187 176.094 -0.129 0.000 1.054 438 V CA 2.249 64.438 62.300 -0.185 0.000 1.076 438 V CB -1.461 30.158 31.823 -0.341 0.000 0.748 438 V HN 0.189 nan 8.190 nan 0.000 0.474 439 T N -2.936 111.569 114.554 -0.083 0.000 3.022 439 T HA 0.445 4.796 4.350 0.001 0.000 0.250 439 T C 1.397 176.060 174.700 -0.062 0.000 1.060 439 T CA 0.773 62.826 62.100 -0.080 0.000 1.013 439 T CB 0.631 69.455 68.868 -0.074 0.000 0.982 439 T HN 0.858 nan 8.240 nan 0.000 0.508 440 G N 2.593 111.368 108.800 -0.041 0.000 2.611 440 G HA2 -0.316 3.645 3.960 0.001 0.000 0.301 440 G HA3 -0.316 3.645 3.960 0.001 0.000 0.301 440 G C 0.648 175.516 174.900 -0.054 0.000 1.233 440 G CA 0.352 45.428 45.100 -0.039 0.000 0.993 440 G HN 0.494 nan 8.290 nan 0.000 0.553 441 L N 0.770 121.953 121.223 -0.067 0.000 2.478 441 L HA 0.124 4.465 4.340 0.001 0.000 0.223 441 L C 2.330 179.140 176.870 -0.100 0.000 1.140 441 L CA 1.216 56.007 54.840 -0.082 0.000 0.842 441 L CB -0.289 41.717 42.059 -0.087 0.000 0.953 441 L HN 0.433 nan 8.230 nan 0.000 0.452 442 K N -0.479 119.869 120.400 -0.087 0.000 2.417 442 K HA 0.096 4.417 4.320 0.001 0.000 0.196 442 K C 0.307 176.866 176.600 -0.069 0.000 1.023 442 K CA -0.077 56.158 56.287 -0.086 0.000 1.122 442 K CB 0.054 32.508 32.500 -0.076 0.000 0.850 442 K HN 0.086 nan 8.250 nan 0.000 0.521 443 T N 4.225 118.741 114.554 -0.062 0.000 2.829 443 T HA 0.067 4.418 4.350 0.001 0.000 0.293 443 T C -2.457 172.231 174.700 -0.020 0.000 0.970 443 T CA -1.045 61.028 62.100 -0.044 0.000 1.168 443 T CB 0.447 69.285 68.868 -0.051 0.000 0.911 443 T HN -0.022 nan 8.240 nan 0.000 0.535 444 P HA 0.214 nan 4.420 nan 0.000 0.265 444 P C -0.917 176.445 177.300 0.104 0.000 1.193 444 P CA -0.221 62.895 63.100 0.025 0.000 0.765 444 P CB 0.212 31.913 31.700 0.002 0.000 0.823 445 F N 4.756 124.649 119.950 -0.095 0.000 2.617 445 F HA 0.405 4.933 4.527 0.001 0.000 0.325 445 F C 0.873 176.612 175.800 -0.102 0.000 1.179 445 F CA -0.648 57.267 58.000 -0.141 0.000 0.965 445 F CB 0.878 39.757 39.000 -0.200 0.000 1.232 445 F HN 0.385 nan 8.300 nan 0.000 0.461 446 R N 2.080 122.225 120.500 -0.591 0.000 3.869 446 R HA -0.276 4.065 4.340 0.001 0.000 0.424 446 R C -0.125 176.042 176.300 -0.221 0.000 0.241 446 R CA 2.164 57.964 56.100 -0.500 0.000 1.351 446 R CB -0.975 28.888 30.300 -0.729 0.000 0.979 446 R HN 0.705 nan 8.270 nan 0.000 0.572 447 D N 0.904 121.206 120.400 -0.164 0.000 2.463 447 D HA 0.265 4.906 4.640 0.001 0.000 0.224 447 D C 0.523 176.822 176.300 -0.002 0.000 1.174 447 D CA 0.897 54.854 54.000 -0.072 0.000 0.829 447 D CB 1.073 41.831 40.800 -0.069 0.000 0.993 447 D HN 0.465 nan 8.370 nan 0.000 0.497 448 G N -0.022 108.807 108.800 0.050 0.000 2.896 448 G HA2 0.581 4.542 3.960 0.001 0.000 0.247 448 G HA3 0.581 4.542 3.960 0.001 0.000 0.247 448 G C -1.241 173.750 174.900 0.153 0.000 1.187 448 G CA -0.514 44.712 45.100 0.210 0.000 0.837 448 G HN 0.033 nan 8.290 nan 0.000 0.559 449 L N 0.281 121.562 121.223 0.095 0.000 2.319 449 L HA 0.434 4.775 4.340 0.001 0.000 0.267 449 L C 1.259 178.081 176.870 -0.080 0.000 1.011 449 L CA -0.820 53.951 54.840 -0.114 0.000 0.818 449 L CB 2.161 44.017 42.059 -0.339 0.000 1.316 449 L HN 0.460 nan 8.230 nan 0.000 0.432 450 L N 1.632 122.826 121.223 -0.048 0.000 2.127 450 L HA -0.183 4.157 4.340 0.001 0.000 0.211 450 L C 2.469 179.307 176.870 -0.054 0.000 1.089 450 L CA 1.817 56.632 54.840 -0.042 0.000 0.757 450 L CB -0.706 41.299 42.059 -0.090 0.000 0.899 450 L HN 0.699 nan 8.230 nan 0.000 0.434 451 K N -1.207 119.097 120.400 -0.159 0.000 2.089 451 K HA -0.274 4.046 4.320 0.001 0.000 0.210 451 K C 1.963 178.524 176.600 -0.065 0.000 1.048 451 K CA 2.243 58.435 56.287 -0.157 0.000 0.926 451 K CB -0.287 32.063 32.500 -0.249 0.000 0.714 451 K HN 0.610 nan 8.250 nan 0.000 0.448 452 H N -0.837 118.273 119.070 0.066 0.000 2.389 452 H HA -0.080 4.477 4.556 0.001 0.000 0.299 452 H C 2.110 177.506 175.328 0.112 0.000 1.081 452 H CA 1.218 57.313 56.048 0.079 0.000 1.345 452 H CB 0.144 29.953 29.762 0.079 0.000 1.393 452 H HN -0.017 nan 8.280 nan 0.000 0.520 453 V N 1.047 121.113 119.914 0.253 0.000 2.358 453 V HA -0.255 3.865 4.120 0.001 0.000 0.246 453 V C 2.663 178.870 176.094 0.189 0.000 1.047 453 V CA 1.580 64.036 62.300 0.261 0.000 1.035 453 V CB -0.911 31.105 31.823 0.321 0.000 0.658 453 V HN 0.558 nan 8.190 nan 0.000 0.452 454 A N -0.282 122.618 122.820 0.133 0.000 1.933 454 A HA -0.259 4.061 4.320 0.001 0.000 0.218 454 A C 2.163 179.806 177.584 0.099 0.000 1.175 454 A CA 1.942 54.043 52.037 0.106 0.000 0.628 454 A CB -0.491 18.536 19.000 0.046 0.000 0.814 454 A HN 0.624 nan 8.150 nan 0.000 0.444 455 E N -0.078 120.180 120.200 0.097 0.000 2.058 455 E HA -0.219 4.131 4.350 0.001 0.000 0.194 455 E C 1.545 178.196 176.600 0.086 0.000 0.997 455 E CA 1.441 57.895 56.400 0.089 0.000 0.801 455 E CB -0.190 29.573 29.700 0.106 0.000 0.746 455 E HN 0.552 nan 8.360 nan 0.000 0.450 456 D N -0.057 120.405 120.400 0.103 0.000 2.117 456 D HA -0.115 4.525 4.640 0.001 0.000 0.198 456 D C 2.054 178.393 176.300 0.065 0.000 0.982 456 D CA 0.729 54.780 54.000 0.085 0.000 0.828 456 D CB -0.255 40.608 40.800 0.105 0.000 0.967 456 D HN 0.022 nan 8.370 nan 0.000 0.464 457 V N 0.952 120.915 119.914 0.082 0.000 2.427 457 V HA -0.183 3.937 4.120 0.001 0.000 0.248 457 V C 2.407 178.521 176.094 0.034 0.000 1.051 457 V CA 0.923 63.251 62.300 0.047 0.000 1.048 457 V CB -0.329 31.553 31.823 0.098 0.000 0.666 457 V HN 0.123 nan 8.190 nan 0.000 0.456 458 L N 0.352 121.631 121.223 0.093 0.000 2.056 458 L HA -0.132 4.209 4.340 0.001 0.000 0.207 458 L C 2.425 179.321 176.870 0.044 0.000 1.078 458 L CA 2.018 56.916 54.840 0.098 0.000 0.749 458 L CB -0.782 41.335 42.059 0.098 0.000 0.901 458 L HN 0.211 nan 8.230 nan 0.000 0.433 459 K N -0.493 119.929 120.400 0.037 0.000 2.057 459 K HA -0.179 4.142 4.320 0.001 0.000 0.207 459 K C 2.104 178.711 176.600 0.011 0.000 1.049 459 K CA 1.741 58.044 56.287 0.026 0.000 0.931 459 K CB -0.236 32.281 32.500 0.029 0.000 0.714 459 K HN 0.407 nan 8.250 nan 0.000 0.440 460 L N 0.474 121.695 121.223 -0.002 0.000 2.046 460 L HA -0.163 4.177 4.340 0.001 0.000 0.208 460 L C 2.666 179.510 176.870 -0.044 0.000 1.077 460 L CA 1.256 56.083 54.840 -0.021 0.000 0.747 460 L CB -0.524 41.515 42.059 -0.033 0.000 0.896 460 L HN 0.241 nan 8.230 nan 0.000 0.432 461 A N 0.061 122.828 122.820 -0.089 0.000 1.908 461 A HA -0.232 4.088 4.320 0.001 0.000 0.218 461 A C 2.315 179.884 177.584 -0.026 0.000 1.181 461 A CA 1.744 53.708 52.037 -0.121 0.000 0.627 461 A CB -0.355 18.509 19.000 -0.227 0.000 0.818 461 A HN 0.327 nan 8.150 nan 0.000 0.445 462 K N -0.435 119.970 120.400 0.008 0.000 2.057 462 K HA -0.145 4.176 4.320 0.001 0.000 0.207 462 K C 1.562 178.181 176.600 0.031 0.000 1.049 462 K CA 1.383 57.689 56.287 0.032 0.000 0.931 462 K CB -0.275 32.245 32.500 0.034 0.000 0.714 462 K HN 0.403 nan 8.250 nan 0.000 0.440 463 D N 0.322 120.734 120.400 0.020 0.000 2.104 463 D HA -0.142 4.498 4.640 0.001 0.000 0.194 463 D C 1.991 178.310 176.300 0.031 0.000 0.994 463 D CA 1.524 55.538 54.000 0.022 0.000 0.830 463 D CB -0.585 40.225 40.800 0.016 0.000 0.959 463 D HN 0.363 nan 8.370 nan 0.000 0.452 464 G N 0.677 109.495 108.800 0.031 0.000 2.440 464 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 464 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 464 G C 1.808 176.755 174.900 0.079 0.000 1.154 464 G CA 0.377 45.510 45.100 0.054 0.000 0.767 464 G HN 0.262 nan 8.290 nan 0.000 0.552 465 L N 0.113 121.382 121.223 0.077 0.000 2.109 465 L HA 0.010 4.350 4.340 0.001 0.000 0.207 465 L C 2.917 179.845 176.870 0.096 0.000 1.086 465 L CA 0.763 55.668 54.840 0.108 0.000 0.760 465 L CB -0.324 41.804 42.059 0.115 0.000 0.910 465 L HN 0.195 nan 8.230 nan 0.000 0.437 466 E N 0.561 120.801 120.200 0.067 0.000 2.051 466 E HA -0.214 4.136 4.350 0.001 0.000 0.192 466 E C 2.235 178.853 176.600 0.030 0.000 0.991 466 E CA 1.174 57.603 56.400 0.049 0.000 0.799 466 E CB -0.177 29.544 29.700 0.036 0.000 0.748 466 E HN 0.485 nan 8.360 nan 0.000 0.449 467 R N 0.496 121.013 120.500 0.028 0.000 2.235 467 R HA 0.012 4.353 4.340 0.001 0.000 0.213 467 R C 2.363 178.652 176.300 -0.017 0.000 1.059 467 R CA 0.392 56.496 56.100 0.007 0.000 0.997 467 R CB -0.081 30.229 30.300 0.017 0.000 0.884 467 R HN 0.041 nan 8.270 nan 0.000 0.462 468 R N -0.385 120.120 120.500 0.008 0.000 2.148 468 R HA -0.064 4.276 4.340 0.001 0.000 0.227 468 R C 1.198 177.323 176.300 -0.293 0.000 1.103 468 R CA 1.073 57.144 56.100 -0.049 0.000 0.983 468 R CB 0.019 30.405 30.300 0.144 0.000 0.874 468 R HN 0.437 nan 8.270 nan 0.000 0.451 469 G N -0.896 107.811 108.800 -0.156 0.000 2.159 469 G HA2 -0.276 3.685 3.960 0.001 0.000 0.256 469 G HA3 -0.276 3.685 3.960 0.001 0.000 0.256 469 G C 0.196 175.014 174.900 -0.137 0.000 0.977 469 G CA 0.252 45.245 45.100 -0.177 0.000 0.652 469 G HN 0.375 nan 8.290 nan 0.000 0.531 470 Y N 0.608 120.985 120.300 0.128 0.000 2.458 470 Y HA 0.322 4.872 4.550 0.001 0.000 0.256 470 Y C 1.500 177.585 175.900 0.310 0.000 1.159 470 Y CA -0.079 58.140 58.100 0.200 0.000 1.261 470 Y CB 0.472 39.060 38.460 0.214 0.000 1.119 470 Y HN 0.270 nan 8.280 nan 0.000 0.524 471 K N 0.109 120.700 120.400 0.319 0.000 3.125 471 K HA -0.263 4.057 4.320 0.001 0.000 0.268 471 K C -0.115 176.678 176.600 0.323 0.000 1.078 471 K CA 0.923 57.367 56.287 0.262 0.000 0.775 471 K CB -2.108 30.509 32.500 0.195 0.000 1.253 471 K HN 0.593 nan 8.250 nan 0.000 0.486 472 E N 0.072 120.423 120.200 0.252 0.000 2.474 472 E HA 0.035 4.385 4.350 0.001 0.000 0.195 472 E C 1.548 178.251 176.600 0.172 0.000 1.039 472 E CA 0.295 56.806 56.400 0.184 0.000 0.881 472 E CB 0.372 30.182 29.700 0.183 0.000 0.970 472 E HN 0.204 nan 8.360 nan 0.000 0.486 473 V N 1.014 120.998 119.914 0.116 0.000 2.568 473 V HA -0.177 3.943 4.120 0.001 0.000 0.253 473 V C 2.002 178.125 176.094 0.049 0.000 1.072 473 V CA 2.225 64.578 62.300 0.089 0.000 1.084 473 V CB -0.496 31.366 31.823 0.065 0.000 0.676 473 V HN 0.434 nan 8.190 nan 0.000 0.469 474 G N -1.047 107.730 108.800 -0.038 0.000 2.448 474 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 474 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 474 G C 1.267 176.097 174.900 -0.117 0.000 1.127 474 G CA 0.779 45.811 45.100 -0.114 0.000 0.766 474 G HN 0.554 nan 8.290 nan 0.000 0.552 475 F N 0.309 120.292 119.950 0.055 0.000 2.494 475 F HA 0.158 4.685 4.527 0.001 0.000 0.298 475 F C 2.191 178.012 175.800 0.035 0.000 1.106 475 F CA 0.411 58.438 58.000 0.045 0.000 1.452 475 F CB -0.018 39.009 39.000 0.045 0.000 1.085 475 F HN 0.076 nan 8.300 nan 0.000 0.569 476 L N -0.652 120.677 121.223 0.177 0.000 2.592 476 L HA 0.024 4.364 4.340 0.001 0.000 0.227 476 L C 1.591 178.484 176.870 0.037 0.000 1.127 476 L CA -0.024 54.885 54.840 0.115 0.000 0.884 476 L CB -0.419 41.712 42.059 0.119 0.000 1.065 476 L HN 0.000 nan 8.230 nan 0.000 0.457 477 N N 1.243 119.952 118.700 0.016 0.000 2.205 477 N HA -0.160 4.580 4.740 0.001 0.000 0.186 477 N C 1.871 177.349 175.510 -0.055 0.000 1.015 477 N CA 1.416 54.453 53.050 -0.023 0.000 0.862 477 N CB -0.083 38.384 38.487 -0.033 0.000 0.986 477 N HN 0.294 nan 8.380 nan 0.000 0.429 478 A N 0.177 122.957 122.820 -0.066 0.000 2.172 478 A HA -0.007 4.314 4.320 0.001 0.000 0.216 478 A C 1.843 179.321 177.584 -0.177 0.000 1.154 478 A CA 1.193 53.156 52.037 -0.123 0.000 0.701 478 A CB -0.204 18.715 19.000 -0.135 0.000 0.789 478 A HN 0.217 nan 8.150 nan 0.000 0.465 479 V N -5.249 114.564 119.914 -0.167 0.000 3.477 479 V HA 0.119 4.240 4.120 0.001 0.000 0.297 479 V C 1.577 177.584 176.094 -0.145 0.000 1.433 479 V CA 1.056 63.213 62.300 -0.239 0.000 1.052 479 V CB -0.611 31.015 31.823 -0.329 0.000 0.895 479 V HN 0.200 nan 8.190 nan 0.000 0.438 480 T N 0.607 115.108 114.554 -0.088 0.000 2.821 480 T HA -0.068 4.282 4.350 0.001 0.000 0.267 480 T C 1.814 176.480 174.700 -0.058 0.000 1.046 480 T CA 1.860 63.928 62.100 -0.053 0.000 1.139 480 T CB -0.157 68.692 68.868 -0.030 0.000 0.871 480 T HN 0.461 nan 8.240 nan 0.000 0.454 481 E N 0.801 120.958 120.200 -0.072 0.000 2.152 481 E HA -0.029 4.321 4.350 0.001 0.000 0.192 481 E C 2.474 179.026 176.600 -0.080 0.000 0.983 481 E CA 0.472 56.832 56.400 -0.066 0.000 0.818 481 E CB -0.454 29.206 29.700 -0.067 0.000 0.758 481 E HN 0.305 nan 8.360 nan 0.000 0.467 482 V N 0.962 120.808 119.914 -0.112 0.000 2.255 482 V HA -0.243 3.878 4.120 0.001 0.000 0.247 482 V C 2.567 178.601 176.094 -0.100 0.000 1.051 482 V CA 1.556 63.779 62.300 -0.127 0.000 1.018 482 V CB -0.646 31.060 31.823 -0.195 0.000 0.641 482 V HN 0.071 nan 8.190 nan 0.000 0.445 483 V N -0.399 119.460 119.914 -0.090 0.000 2.343 483 V HA -0.219 3.902 4.120 0.001 0.000 0.247 483 V C 2.633 178.707 176.094 -0.032 0.000 1.051 483 V CA 1.955 64.222 62.300 -0.055 0.000 1.036 483 V CB -0.802 31.002 31.823 -0.032 0.000 0.654 483 V HN 0.427 nan 8.190 nan 0.000 0.451 484 R N 0.594 121.075 120.500 -0.031 0.000 2.080 484 R HA -0.174 4.166 4.340 0.001 0.000 0.236 484 R C 2.452 178.740 176.300 -0.019 0.000 1.137 484 R CA 2.345 58.435 56.100 -0.016 0.000 0.943 484 R CB -0.687 29.601 30.300 -0.021 0.000 0.846 484 R HN 0.705 nan 8.270 nan 0.000 0.431 485 T N -3.848 110.684 114.554 -0.035 0.000 3.067 485 T HA 0.126 4.477 4.350 0.001 0.000 0.257 485 T C 1.333 176.006 174.700 -0.046 0.000 1.105 485 T CA 0.829 62.907 62.100 -0.037 0.000 1.104 485 T CB 0.333 69.174 68.868 -0.045 0.000 0.925 485 T HN 0.443 nan 8.240 nan 0.000 0.498 486 G N 0.826 109.592 108.800 -0.057 0.000 2.155 486 G HA2 -0.217 3.744 3.960 0.001 0.000 0.257 486 G HA3 -0.217 3.744 3.960 0.001 0.000 0.257 486 G C 0.027 174.880 174.900 -0.078 0.000 0.983 486 G CA 0.121 45.178 45.100 -0.072 0.000 0.676 486 G HN 0.753 nan 8.290 nan 0.000 0.528 487 V N 2.216 122.084 119.914 -0.078 0.000 2.350 487 V HA 0.585 4.706 4.120 0.001 0.000 0.276 487 V C 1.094 177.131 176.094 -0.095 0.000 1.028 487 V CA -0.078 62.173 62.300 -0.081 0.000 0.860 487 V CB 1.114 32.893 31.823 -0.074 0.000 0.990 487 V HN 0.657 nan 8.190 nan 0.000 0.453 488 T N 3.551 118.047 114.554 -0.096 0.000 2.860 488 T HA 0.229 4.579 4.350 0.001 0.000 0.299 488 T C -1.644 172.994 174.700 -0.103 0.000 1.045 488 T CA -1.457 60.579 62.100 -0.105 0.000 1.071 488 T CB 1.098 69.913 68.868 -0.087 0.000 0.985 488 T HN 0.412 nan 8.240 nan 0.000 0.537 489 P HA -0.070 nan 4.420 nan 0.000 0.217 489 P C 1.632 178.888 177.300 -0.074 0.000 1.148 489 P CA 1.492 64.541 63.100 -0.085 0.000 0.828 489 P CB -0.326 31.328 31.700 -0.076 0.000 0.783 490 A N -0.011 122.760 122.820 -0.081 0.000 1.902 490 A HA -0.239 4.081 4.320 0.001 0.000 0.217 490 A C 2.159 179.648 177.584 -0.157 0.000 1.181 490 A CA 1.732 53.695 52.037 -0.123 0.000 0.623 490 A CB -1.232 17.699 19.000 -0.115 0.000 0.818 490 A HN 0.184 nan 8.150 nan 0.000 0.443 491 E N -0.115 120.010 120.200 -0.126 0.000 2.106 491 E HA -0.178 4.173 4.350 0.001 0.000 0.192 491 E C 1.803 178.333 176.600 -0.115 0.000 0.984 491 E CA 1.338 57.666 56.400 -0.120 0.000 0.806 491 E CB -0.258 29.382 29.700 -0.100 0.000 0.750 491 E HN 0.786 nan 8.360 nan 0.000 0.458 492 N N 0.380 119.016 118.700 -0.107 0.000 2.188 492 N HA -0.121 4.620 4.740 0.001 0.000 0.184 492 N C 1.777 177.199 175.510 -0.146 0.000 1.018 492 N CA 0.671 53.655 53.050 -0.110 0.000 0.858 492 N CB -0.017 38.418 38.487 -0.088 0.000 0.989 492 N HN 0.061 nan 8.380 nan 0.000 0.426 493 L N 0.234 121.387 121.223 -0.117 0.000 2.046 493 L HA -0.130 4.210 4.340 0.001 0.000 0.208 493 L C 1.882 178.693 176.870 -0.098 0.000 1.077 493 L CA 0.545 55.322 54.840 -0.105 0.000 0.747 493 L CB -0.354 41.763 42.059 0.097 0.000 0.896 493 L HN 0.212 nan 8.230 nan 0.000 0.432 494 L N 0.169 121.333 121.223 -0.097 0.000 2.042 494 L HA -0.124 4.216 4.340 0.001 0.000 0.210 494 L C 1.696 178.563 176.870 -0.005 0.000 1.076 494 L CA 1.245 56.072 54.840 -0.021 0.000 0.749 494 L CB -0.951 41.038 42.059 -0.116 0.000 0.893 494 L HN 0.323 nan 8.230 nan 0.000 0.432 498 N N 1.438 120.214 118.700 0.126 0.000 2.515 498 N HA 0.154 4.895 4.740 0.001 0.000 0.185 498 N C 0.886 176.372 175.510 -0.040 0.000 1.109 498 N CA 1.261 54.345 53.050 0.056 0.000 0.903 498 N CB 0.601 39.153 38.487 0.108 0.000 0.969 498 N HN 0.641 nan 8.380 nan 0.000 0.450 499 G N 1.198 109.948 108.800 -0.083 0.000 2.851 499 G HA2 0.003 3.963 3.960 0.001 0.000 0.208 499 G HA3 0.003 3.963 3.960 0.001 0.000 0.208 499 G C 0.847 175.713 174.900 -0.057 0.000 1.894 499 G CA 0.075 45.130 45.100 -0.074 0.000 0.732 499 G HN 0.241 nan 8.290 nan 0.000 0.802 500 E N -0.328 119.836 120.200 -0.061 0.000 2.171 500 E HA -0.196 4.154 4.350 0.001 0.000 0.197 500 E C 1.784 178.494 176.600 0.184 0.000 0.997 500 E CA 1.428 57.850 56.400 0.037 0.000 0.810 500 E CB -0.228 29.500 29.700 0.048 0.000 0.738 500 E HN 0.465 nan 8.360 nan 0.000 0.467 501 W N 1.079 122.338 121.300 -0.069 0.000 2.800 501 W HA 0.285 4.945 4.660 0.001 0.000 0.249 501 W C 1.402 177.811 176.519 -0.183 0.000 1.294 501 W CA 0.738 58.017 57.345 -0.109 0.000 1.402 501 W CB -0.565 28.831 29.460 -0.107 0.000 1.126 501 W HN 0.314 nan 8.180 nan 0.000 0.652 502 G N 1.061 109.870 108.800 0.014 0.000 2.273 502 G HA2 -0.367 3.593 3.960 0.001 0.000 0.280 502 G HA3 -0.367 3.593 3.960 0.001 0.000 0.280 502 G C 0.516 175.277 174.900 -0.231 0.000 1.047 502 G CA 0.510 45.555 45.100 -0.092 0.000 0.869 502 G HN 0.372 nan 8.290 nan 0.000 0.502 503 Q N -2.229 117.266 119.800 -0.508 0.000 2.478 503 Q HA -0.174 4.167 4.340 0.001 0.000 0.286 503 Q C 0.342 175.962 176.000 -0.634 0.000 1.299 503 Q CA 1.141 56.316 55.803 -1.046 0.000 0.826 503 Q CB -1.648 26.793 28.738 -0.496 0.000 1.199 503 Q HN 1.379 nan 8.270 nan 0.000 0.451 504 S N -0.920 114.546 115.700 -0.389 0.000 2.542 504 S HA 0.582 5.053 4.470 0.001 0.000 0.293 504 S C 0.742 175.309 174.600 -0.055 0.000 1.089 504 S CA -0.237 57.880 58.200 -0.139 0.000 0.961 504 S CB 2.077 65.184 63.200 -0.155 0.000 1.062 504 S HN 0.541 nan 8.310 nan 0.000 0.483 505 V N 1.028 120.874 119.914 -0.114 0.000 3.406 505 V HA 0.172 4.293 4.120 0.001 0.000 0.263 505 V C 1.461 177.318 176.094 -0.395 0.000 1.172 505 V CA 1.073 63.166 62.300 -0.344 0.000 1.140 505 V CB -0.813 30.712 31.823 -0.498 0.000 0.784 505 V HN 0.736 nan 8.190 nan 0.000 0.467 506 D N 2.003 122.228 120.400 -0.291 0.000 2.149 506 D HA -0.101 4.539 4.640 0.001 0.000 0.194 506 D C -0.288 175.826 176.300 -0.309 0.000 1.001 506 D CA 2.115 55.983 54.000 -0.220 0.000 0.849 506 D CB -1.671 38.984 40.800 -0.242 0.000 0.939 506 D HN 0.455 nan 8.370 nan 0.000 0.449 507 P HA -0.066 nan 4.420 nan 0.000 0.231 507 P C 1.528 178.300 177.300 -0.880 0.000 1.158 507 P CA 0.299 62.897 63.100 -0.837 0.000 0.763 507 P CB 0.136 31.039 31.700 -1.329 0.000 0.805 508 V N -1.615 117.734 119.914 -0.940 0.000 2.809 508 V HA -0.160 3.961 4.120 0.001 0.000 0.256 508 V C 1.546 177.431 176.094 -0.348 0.000 1.080 508 V CA 1.436 63.427 62.300 -0.515 0.000 1.102 508 V CB -1.077 30.546 31.823 -0.333 0.000 0.705 508 V HN -0.014 nan 8.190 nan 0.000 0.475 509 F N -0.033 119.719 119.950 -0.331 0.000 2.604 509 F HA -0.035 4.493 4.527 0.001 0.000 0.298 509 F C 2.315 178.085 175.800 -0.050 0.000 1.131 509 F CA 1.151 58.964 58.000 -0.313 0.000 1.457 509 F CB -0.028 38.612 39.000 -0.601 0.000 1.095 509 F HN 0.271 nan 8.300 nan 0.000 0.574 510 Q N -0.721 119.115 119.800 0.059 0.000 2.387 510 Q HA -0.079 4.261 4.340 0.001 0.000 0.208 510 Q C 1.924 177.977 176.000 0.088 0.000 0.935 510 Q CA 0.568 56.426 55.803 0.092 0.000 0.891 510 Q CB -0.190 28.574 28.738 0.043 0.000 1.007 510 Q HN 0.146 nan 8.270 nan 0.000 0.548 511 E N 1.520 121.758 120.200 0.063 0.000 2.070 511 E HA -0.148 4.203 4.350 0.001 0.000 0.197 511 E C 1.039 177.701 176.600 0.104 0.000 1.004 511 E CA 1.303 57.789 56.400 0.143 0.000 0.805 511 E CB 0.007 29.890 29.700 0.306 0.000 0.744 511 E HN 0.245 nan 8.360 nan 0.000 0.451 512 L N 0.601 121.856 121.223 0.054 0.000 2.965 512 L HA 0.268 4.608 4.340 0.001 0.000 0.254 512 L C -0.059 176.789 176.870 -0.037 0.000 1.220 512 L CA -0.791 54.045 54.840 -0.006 0.000 1.023 512 L CB 0.311 42.366 42.059 -0.007 0.000 1.355 512 L HN 0.135 nan 8.230 nan 0.000 0.545 513 L N 0.619 121.892 121.223 0.083 0.000 2.513 513 L HA 0.097 4.437 4.340 0.001 0.000 0.272 513 L C 0.054 176.995 176.870 0.118 0.000 1.187 513 L CA 0.355 55.311 54.840 0.193 0.000 0.895 513 L CB 0.023 42.232 42.059 0.251 0.000 1.147 513 L HN -0.049 nan 8.230 nan 0.000 0.483 514 Y N 0.000 120.471 120.300 0.285 0.000 2.660 514 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 514 Y CA 0.000 58.242 58.100 0.236 0.000 1.940 514 Y CB 0.000 38.592 38.460 0.220 0.000 1.050 514 Y HN 0.000 nan 8.280 nan 0.000 0.758