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 2qta_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.134 176.117 0.028 0.000 1.063 56 I CA 0.000 61.315 61.300 0.024 0.000 1.566 56 I CB 0.000 38.019 38.000 0.032 0.000 1.214 57 S N 3.737 119.454 115.700 0.029 0.000 2.758 57 S HA 0.552 5.021 4.470 -0.002 0.000 0.292 57 S C -0.125 174.512 174.600 0.062 0.000 1.131 57 S CA -0.938 57.281 58.200 0.032 0.000 0.997 57 S CB 1.306 64.513 63.200 0.012 0.000 1.111 57 S HN 0.547 nan 8.310 nan 0.000 0.552 58 N N 0.298 119.039 118.700 0.068 0.000 2.374 58 N HA -0.005 4.734 4.740 -0.002 0.000 0.241 58 N C -0.749 174.853 175.510 0.154 0.000 1.262 58 N CA 0.265 53.383 53.050 0.114 0.000 0.880 58 N CB -0.172 38.375 38.487 0.100 0.000 1.105 58 N HN 0.716 nan 8.380 nan 0.000 0.438 59 Y N 2.198 122.536 120.300 0.064 0.000 2.971 59 Y HA 0.203 4.752 4.550 -0.002 0.000 0.384 59 Y C 0.427 176.423 175.900 0.160 0.000 1.166 59 Y CA -0.187 57.949 58.100 0.060 0.000 1.973 59 Y CB -0.755 37.781 38.460 0.127 0.000 2.082 59 Y HN 0.331 nan 8.280 nan 0.000 0.420 60 I N -2.787 117.813 120.570 0.050 0.000 3.354 60 I HA 0.523 4.692 4.170 -0.002 0.000 0.316 60 I C -0.724 175.354 176.117 -0.065 0.000 1.182 60 I CA -1.611 59.760 61.300 0.118 0.000 0.942 60 I CB 1.389 39.506 38.000 0.195 0.000 1.299 60 I HN -0.207 nan 8.210 nan 0.000 0.473 61 N N 1.761 120.455 118.700 -0.010 0.000 2.458 61 N HA 0.091 4.830 4.740 -0.002 0.000 0.258 61 N C 0.754 176.238 175.510 -0.043 0.000 1.219 61 N CA 0.097 53.107 53.050 -0.068 0.000 0.902 61 N CB 0.947 39.433 38.487 -0.002 0.000 1.076 61 N HN 0.667 nan 8.380 nan 0.000 0.455 62 T N 1.348 115.856 114.554 -0.077 0.000 2.867 62 T HA 0.046 4.395 4.350 -0.002 0.000 0.268 62 T C 1.021 175.705 174.700 -0.026 0.000 1.057 62 T CA 0.816 62.882 62.100 -0.056 0.000 1.136 62 T CB 0.019 68.837 68.868 -0.083 0.000 0.874 62 T HN 0.422 nan 8.240 nan 0.000 0.466 63 I N 3.899 124.457 120.570 -0.020 0.000 2.306 63 I HA 0.249 4.418 4.170 -0.002 0.000 0.288 63 I C -2.161 173.977 176.117 0.035 0.000 1.036 63 I CA -2.497 58.807 61.300 0.007 0.000 1.221 63 I CB 1.254 39.259 38.000 0.008 0.000 1.385 63 I HN -0.003 nan 8.210 nan 0.000 0.472 64 P HA -0.013 nan 4.420 nan 0.000 0.272 64 P C 0.935 178.278 177.300 0.071 0.000 1.223 64 P CA -0.132 63.005 63.100 0.061 0.000 0.784 64 P CB 1.885 33.617 31.700 0.054 0.000 0.923 65 V N 1.836 121.801 119.914 0.086 0.000 2.453 65 V HA -0.253 3.866 4.120 -0.002 0.000 0.252 65 V C 2.024 178.165 176.094 0.077 0.000 1.068 65 V CA 2.161 64.515 62.300 0.090 0.000 1.070 65 V CB -1.094 30.789 31.823 0.101 0.000 0.664 65 V HN 0.502 nan 8.190 nan 0.000 0.461 66 E N 0.076 120.316 120.200 0.067 0.000 2.333 66 E HA -0.146 4.203 4.350 -0.002 0.000 0.198 66 E C 1.842 178.475 176.600 0.054 0.000 1.007 66 E CA 1.127 57.561 56.400 0.057 0.000 0.845 66 E CB -0.071 29.659 29.700 0.049 0.000 0.766 66 E HN 0.737 nan 8.360 nan 0.000 0.507 67 E N -0.111 120.123 120.200 0.057 0.000 2.548 67 E HA 0.049 4.398 4.350 -0.002 0.000 0.206 67 E C -0.056 176.586 176.600 0.070 0.000 1.005 67 E CA -0.182 56.250 56.400 0.054 0.000 0.951 67 E CB 0.459 30.183 29.700 0.041 0.000 1.035 67 E HN 0.135 nan 8.360 nan 0.000 0.470 68 Q N 3.006 122.857 119.800 0.085 0.000 2.314 68 Q HA 0.165 4.504 4.340 -0.002 0.000 0.257 68 Q C -2.172 173.908 176.000 0.134 0.000 0.975 68 Q CA -2.112 53.761 55.803 0.117 0.000 0.933 68 Q CB 0.689 29.499 28.738 0.121 0.000 1.195 68 Q HN -0.067 nan 8.270 nan 0.000 0.426 69 P HA 0.035 nan 4.420 nan 0.000 0.272 69 P C -0.601 176.789 177.300 0.150 0.000 1.223 69 P CA -0.130 63.075 63.100 0.175 0.000 0.784 69 P CB 0.711 32.565 31.700 0.257 0.000 0.923 70 E N 0.836 121.080 120.200 0.074 0.000 2.414 70 E HA -0.027 4.322 4.350 -0.002 0.000 0.263 70 E C -0.461 176.087 176.600 -0.086 0.000 1.000 70 E CA 0.081 56.495 56.400 0.023 0.000 0.914 70 E CB -0.024 29.675 29.700 -0.002 0.000 0.948 70 E HN 0.370 nan 8.360 nan 0.000 0.444 71 Y N 5.616 125.778 120.300 -0.231 0.000 2.465 71 Y HA 0.083 4.632 4.550 -0.002 0.000 0.331 71 Y C -1.172 174.469 175.900 -0.432 0.000 1.102 71 Y CA -1.526 56.285 58.100 -0.481 0.000 1.358 71 Y CB 0.910 39.201 38.460 -0.281 0.000 1.213 71 Y HN 0.365 nan 8.280 nan 0.000 0.525 72 P HA 0.157 nan 4.420 nan 0.000 0.255 72 P C 0.236 177.284 177.300 -0.419 0.000 1.248 72 P CA 0.402 63.117 63.100 -0.642 0.000 0.807 72 P CB 0.501 31.821 31.700 -0.633 0.000 1.150 73 G N 0.607 109.082 108.800 -0.542 0.000 2.552 73 G HA2 0.213 4.172 3.960 -0.002 0.000 0.318 73 G HA3 0.213 4.172 3.960 -0.002 0.000 0.318 73 G C -0.729 174.352 174.900 0.301 0.000 1.240 73 G CA -0.450 44.751 45.100 0.167 0.000 1.002 73 G HN 0.009 nan 8.290 nan 0.000 0.493 74 N N 0.782 119.644 118.700 0.271 0.000 2.521 74 N HA 0.119 4.858 4.740 -0.002 0.000 0.236 74 N C 1.609 177.141 175.510 0.036 0.000 1.067 74 N CA -0.317 52.771 53.050 0.064 0.000 0.939 74 N CB 0.677 39.084 38.487 -0.134 0.000 1.201 74 N HN 0.395 nan 8.380 nan 0.000 0.511 75 L N 1.327 122.605 121.223 0.091 0.000 2.013 75 L HA -0.172 4.167 4.340 -0.002 0.000 0.212 75 L C 2.308 179.169 176.870 -0.014 0.000 1.073 75 L CA 1.267 56.123 54.840 0.026 0.000 0.753 75 L CB -0.253 41.780 42.059 -0.043 0.000 0.890 75 L HN 0.552 nan 8.230 nan 0.000 0.432 76 E N 0.452 120.633 120.200 -0.031 0.000 2.106 76 E HA -0.234 4.115 4.350 -0.002 0.000 0.192 76 E C 2.173 178.728 176.600 -0.075 0.000 0.984 76 E CA 1.252 57.630 56.400 -0.036 0.000 0.806 76 E CB -0.040 29.641 29.700 -0.032 0.000 0.750 76 E HN 0.299 nan 8.360 nan 0.000 0.458 77 L N 1.619 122.745 121.223 -0.161 0.000 2.072 77 L HA -0.085 4.254 4.340 -0.002 0.000 0.205 77 L C 2.034 178.749 176.870 -0.257 0.000 1.079 77 L CA 1.784 56.465 54.840 -0.265 0.000 0.752 77 L CB -0.485 41.297 42.059 -0.461 0.000 0.906 77 L HN 0.043 nan 8.230 nan 0.000 0.436 78 E N -0.788 119.272 120.200 -0.233 0.000 2.118 78 E HA -0.244 4.105 4.350 -0.002 0.000 0.195 78 E C 2.244 178.865 176.600 0.035 0.000 0.992 78 E CA 0.843 57.207 56.400 -0.060 0.000 0.804 78 E CB -0.198 29.560 29.700 0.096 0.000 0.741 78 E HN 0.320 nan 8.360 nan 0.000 0.458 79 R N 1.173 121.696 120.500 0.038 0.000 2.115 79 R HA -0.087 4.252 4.340 -0.002 0.000 0.230 79 R C 2.056 178.423 176.300 0.112 0.000 1.111 79 R CA 1.061 57.219 56.100 0.096 0.000 0.976 79 R CB -0.045 30.312 30.300 0.095 0.000 0.870 79 R HN 0.112 nan 8.270 nan 0.000 0.445 80 R N -0.070 120.464 120.500 0.057 0.000 2.081 80 R HA -0.058 4.281 4.340 -0.002 0.000 0.235 80 R C 2.407 178.816 176.300 0.182 0.000 1.131 80 R CA 1.528 57.682 56.100 0.091 0.000 0.960 80 R CB -0.267 30.028 30.300 -0.008 0.000 0.856 80 R HN 0.237 nan 8.270 nan 0.000 0.436 81 I N -0.011 120.618 120.570 0.098 0.000 2.202 81 I HA -0.280 3.889 4.170 -0.002 0.000 0.242 81 I C 2.724 179.004 176.117 0.272 0.000 1.091 81 I CA 1.155 62.588 61.300 0.222 0.000 1.368 81 I CB -0.257 37.798 38.000 0.092 0.000 1.058 81 I HN 0.137 nan 8.210 nan 0.000 0.410 82 R N 0.718 121.337 120.500 0.198 0.000 2.091 82 R HA -0.160 4.179 4.340 -0.002 0.000 0.238 82 R C 2.387 178.796 176.300 0.181 0.000 1.136 82 R CA 1.861 58.077 56.100 0.193 0.000 0.959 82 R CB -0.101 30.302 30.300 0.172 0.000 0.856 82 R HN 0.207 nan 8.270 nan 0.000 0.437 83 S N 0.202 116.018 115.700 0.194 0.000 2.382 83 S HA -0.129 4.340 4.470 -0.002 0.000 0.228 83 S C 1.892 176.624 174.600 0.219 0.000 1.027 83 S CA 1.128 59.438 58.200 0.183 0.000 0.991 83 S CB -0.123 63.227 63.200 0.252 0.000 0.823 83 S HN 0.574 nan 8.310 nan 0.000 0.469 84 A N 1.382 124.358 122.820 0.260 0.000 1.898 84 A HA 0.027 4.346 4.320 -0.002 0.000 0.216 84 A C 2.041 179.780 177.584 0.259 0.000 1.181 84 A CA 0.965 53.141 52.037 0.232 0.000 0.620 84 A CB -0.609 18.482 19.000 0.151 0.000 0.819 84 A HN 0.478 nan 8.150 nan 0.000 0.442 85 I N -0.778 119.937 120.570 0.243 0.000 2.179 85 I HA -0.280 3.889 4.170 -0.002 0.000 0.242 85 I C 2.774 179.045 176.117 0.256 0.000 1.088 85 I CA 1.412 62.846 61.300 0.224 0.000 1.357 85 I CB -0.392 37.750 38.000 0.235 0.000 1.051 85 I HN 0.292 nan 8.210 nan 0.000 0.409 86 R N 0.019 120.667 120.500 0.246 0.000 2.083 86 R HA -0.231 4.108 4.340 -0.002 0.000 0.237 86 R C 2.264 178.662 176.300 0.163 0.000 1.137 86 R CA 1.965 58.173 56.100 0.181 0.000 0.951 86 R CB -0.592 29.614 30.300 -0.156 0.000 0.851 86 R HN 0.566 nan 8.270 nan 0.000 0.434 87 W N 2.285 123.598 121.300 0.022 0.000 2.333 87 W HA -0.208 4.451 4.660 -0.002 0.000 0.316 87 W C 1.202 177.752 176.519 0.051 0.000 1.215 87 W CA 1.485 58.854 57.345 0.040 0.000 1.278 87 W CB -0.333 29.158 29.460 0.052 0.000 1.154 87 W HN 0.117 nan 8.180 nan 0.000 0.486 88 N N 0.840 119.658 118.700 0.196 0.000 2.223 88 N HA -0.148 4.591 4.740 -0.002 0.000 0.185 88 N C 1.841 177.319 175.510 -0.054 0.000 1.016 88 N CA 2.020 55.131 53.050 0.101 0.000 0.863 88 N CB -1.012 37.569 38.487 0.157 0.000 0.983 88 N HN 0.205 nan 8.380 nan 0.000 0.429 89 A N 1.137 123.919 122.820 -0.064 0.000 1.877 89 A HA -0.068 4.251 4.320 -0.002 0.000 0.216 89 A C 2.335 179.815 177.584 -0.173 0.000 1.186 89 A CA 0.988 52.936 52.037 -0.149 0.000 0.620 89 A CB -0.701 18.237 19.000 -0.104 0.000 0.822 89 A HN 0.200 nan 8.150 nan 0.000 0.443 90 I N -0.619 119.857 120.570 -0.156 0.000 2.226 90 I HA -0.276 3.893 4.170 -0.002 0.000 0.245 90 I C 2.638 178.567 176.117 -0.313 0.000 1.100 90 I CA 1.108 62.284 61.300 -0.208 0.000 1.374 90 I CB -0.274 37.589 38.000 -0.228 0.000 1.057 90 I HN 0.261 nan 8.210 nan 0.000 0.413 91 M N -0.045 119.287 119.600 -0.446 0.000 2.080 91 M HA -0.186 4.292 4.480 -0.002 0.000 0.260 91 M C 2.471 178.626 176.300 -0.243 0.000 1.068 91 M CA 1.989 57.017 55.300 -0.453 0.000 1.109 91 M CB -1.689 30.572 32.600 -0.564 0.000 1.342 91 M HN 0.240 nan 8.290 nan 0.000 0.405 92 T N 0.959 115.444 114.554 -0.115 0.000 2.635 92 T HA -0.118 4.231 4.350 -0.002 0.000 0.267 92 T C 2.062 176.623 174.700 -0.231 0.000 1.040 92 T CA 1.731 63.746 62.100 -0.142 0.000 1.156 92 T CB -0.475 68.169 68.868 -0.373 0.000 0.863 92 T HN 0.167 nan 8.240 nan 0.000 0.430 93 V N 1.331 121.072 119.914 -0.289 0.000 2.358 93 V HA -0.084 4.035 4.120 -0.002 0.000 0.246 93 V C 2.509 178.578 176.094 -0.041 0.000 1.047 93 V CA 1.374 63.597 62.300 -0.128 0.000 1.035 93 V CB -0.689 31.080 31.823 -0.090 0.000 0.658 93 V HN 0.424 nan 8.190 nan 0.000 0.452 94 L N -0.593 120.567 121.223 -0.105 0.000 2.046 94 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 94 L C 2.800 179.624 176.870 -0.077 0.000 1.077 94 L CA 1.585 56.368 54.840 -0.095 0.000 0.747 94 L CB -0.564 41.404 42.059 -0.152 0.000 0.896 94 L HN 0.240 nan 8.230 nan 0.000 0.432 95 R N -0.198 120.243 120.500 -0.098 0.000 2.120 95 R HA -0.120 4.219 4.340 -0.002 0.000 0.234 95 R C 2.408 178.705 176.300 -0.006 0.000 1.123 95 R CA 1.210 57.265 56.100 -0.074 0.000 0.975 95 R CB -0.402 29.839 30.300 -0.098 0.000 0.866 95 R HN 0.352 nan 8.270 nan 0.000 0.446 96 A N 0.329 123.179 122.820 0.051 0.000 1.873 96 A HA -0.159 4.160 4.320 -0.002 0.000 0.215 96 A C 2.221 179.832 177.584 0.045 0.000 1.186 96 A CA 1.641 53.737 52.037 0.099 0.000 0.616 96 A CB -0.624 18.535 19.000 0.264 0.000 0.823 96 A HN 0.239 nan 8.150 nan 0.000 0.442 97 S N 0.022 115.741 115.700 0.033 0.000 2.370 97 S HA -0.245 4.223 4.470 -0.002 0.000 0.226 97 S C 2.149 176.746 174.600 -0.005 0.000 1.033 97 S CA 1.952 60.157 58.200 0.009 0.000 1.011 97 S CB -0.424 62.775 63.200 -0.001 0.000 0.852 97 S HN 0.748 nan 8.310 nan 0.000 0.457 98 K N 0.935 121.325 120.400 -0.015 0.000 2.107 98 K HA -0.241 4.077 4.320 -0.002 0.000 0.211 98 K C 1.628 178.219 176.600 -0.015 0.000 1.049 98 K CA 1.945 58.219 56.287 -0.022 0.000 0.927 98 K CB -0.418 32.062 32.500 -0.033 0.000 0.714 98 K HN 0.293 nan 8.250 nan 0.000 0.452 99 K N 0.465 120.858 120.400 -0.011 0.000 2.362 99 K HA -0.115 4.204 4.320 -0.002 0.000 0.200 99 K C 0.147 176.740 176.600 -0.011 0.000 1.046 99 K CA 0.842 57.122 56.287 -0.011 0.000 0.952 99 K CB -0.245 32.250 32.500 -0.009 0.000 0.753 99 K HN 0.307 nan 8.250 nan 0.000 0.466 100 D N 0.222 120.616 120.400 -0.009 0.000 2.699 100 D HA -0.175 4.464 4.640 -0.002 0.000 0.239 100 D C -0.525 175.769 176.300 -0.010 0.000 1.136 100 D CA 0.502 54.497 54.000 -0.009 0.000 0.668 100 D CB -1.096 39.699 40.800 -0.009 0.000 1.060 100 D HN 0.224 nan 8.370 nan 0.000 0.429 101 L N 0.479 121.695 121.223 -0.011 0.000 3.066 101 L HA 0.204 4.543 4.340 -0.002 0.000 0.265 101 L C 0.685 177.546 176.870 -0.016 0.000 1.232 101 L CA -0.430 54.402 54.840 -0.013 0.000 1.031 101 L CB 0.288 42.338 42.059 -0.015 0.000 1.379 101 L HN 0.007 nan 8.230 nan 0.000 0.563 102 E N 0.472 120.664 120.200 -0.014 0.000 2.360 102 E HA -0.241 4.108 4.350 -0.002 0.000 0.238 102 E C 1.034 177.619 176.600 -0.025 0.000 1.186 102 E CA 0.487 56.878 56.400 -0.015 0.000 0.719 102 E CB -1.589 28.104 29.700 -0.012 0.000 1.236 102 E HN 0.546 nan 8.360 nan 0.000 0.386 103 L N -1.009 120.196 121.223 -0.030 0.000 2.156 103 L HA -0.036 4.303 4.340 -0.002 0.000 0.208 103 L C 1.592 178.420 176.870 -0.071 0.000 1.095 103 L CA 1.115 55.918 54.840 -0.062 0.000 0.770 103 L CB -0.456 41.562 42.059 -0.068 0.000 0.914 103 L HN 0.521 nan 8.230 nan 0.000 0.439 104 G N -0.540 108.240 108.800 -0.033 0.000 2.681 104 G HA2 0.173 4.132 3.960 -0.002 0.000 0.220 104 G HA3 0.173 4.132 3.960 -0.002 0.000 0.220 104 G C 0.002 174.912 174.900 0.017 0.000 1.353 104 G CA -0.410 44.667 45.100 -0.039 0.000 0.872 104 G HN 0.874 nan 8.290 nan 0.000 0.557 105 G N -2.105 106.674 108.800 -0.036 0.000 2.453 105 G HA2 0.576 4.535 3.960 -0.002 0.000 0.665 105 G HA3 0.576 4.535 3.960 -0.002 0.000 0.665 105 G C -0.924 173.962 174.900 -0.025 0.000 1.411 105 G CA 0.408 45.604 45.100 0.160 0.000 0.889 105 G HN 1.820 nan 8.290 nan 0.000 0.651 106 H N 0.657 119.883 119.070 0.260 0.000 2.567 106 H HA 0.822 5.377 4.556 -0.002 0.000 0.345 106 H C 1.265 176.705 175.328 0.187 0.000 1.169 106 H CA -0.827 55.357 56.048 0.228 0.000 1.227 106 H CB 1.819 31.768 29.762 0.311 0.000 1.607 106 H HN 0.473 nan 8.280 nan 0.000 0.534 107 M N -0.146 119.636 119.600 0.302 0.000 2.227 107 M HA 0.231 4.710 4.480 -0.002 0.000 0.226 107 M C 2.021 178.480 176.300 0.265 0.000 1.423 107 M CA 0.614 56.055 55.300 0.234 0.000 1.055 107 M CB 0.427 33.111 32.600 0.140 0.000 1.572 107 M HN 0.652 nan 8.290 nan 0.000 0.567 108 A N 0.206 123.179 122.820 0.255 0.000 1.908 108 A HA -0.178 4.141 4.320 -0.002 0.000 0.218 108 A C 2.209 179.945 177.584 0.254 0.000 1.181 108 A CA 2.528 54.707 52.037 0.236 0.000 0.627 108 A CB -0.854 18.273 19.000 0.211 0.000 0.818 108 A HN 0.438 nan 8.150 nan 0.000 0.445 109 S N -1.764 114.115 115.700 0.299 0.000 2.355 109 S HA -0.122 4.347 4.470 -0.002 0.000 0.222 109 S C 1.753 176.507 174.600 0.257 0.000 1.031 109 S CA 1.446 59.807 58.200 0.267 0.000 0.993 109 S CB -0.487 62.886 63.200 0.289 0.000 0.859 109 S HN 0.580 nan 8.310 nan 0.000 0.453 110 F N 2.494 122.530 119.950 0.143 0.000 2.171 110 F HA -0.021 4.505 4.527 -0.002 0.000 0.300 110 F C 2.474 178.376 175.800 0.170 0.000 1.090 110 F CA 1.566 59.642 58.000 0.127 0.000 1.293 110 F CB -0.615 38.426 39.000 0.067 0.000 1.013 110 F HN 0.208 nan 8.300 nan 0.000 0.486 111 Q N 0.162 120.018 119.800 0.093 0.000 2.135 111 Q HA -0.185 4.154 4.340 -0.002 0.000 0.204 111 Q C 2.567 178.649 176.000 0.138 0.000 0.981 111 Q CA 1.925 57.763 55.803 0.058 0.000 0.856 111 Q CB -0.798 28.061 28.738 0.201 0.000 0.902 111 Q HN 0.590 nan 8.270 nan 0.000 0.425 112 S N -0.460 115.338 115.700 0.164 0.000 2.436 112 S HA -0.040 4.429 4.470 -0.002 0.000 0.228 112 S C 1.813 176.415 174.600 0.002 0.000 1.014 112 S CA 1.054 59.361 58.200 0.180 0.000 0.950 112 S CB -0.030 63.269 63.200 0.165 0.000 0.784 112 S HN 0.310 nan 8.310 nan 0.000 0.504 113 S N 0.153 115.847 115.700 -0.010 0.000 2.559 113 S HA 0.623 5.092 4.470 -0.002 0.000 0.226 113 S C 1.730 176.335 174.600 0.008 0.000 1.000 113 S CA 0.116 58.325 58.200 0.015 0.000 0.948 113 S CB 0.115 63.441 63.200 0.210 0.000 0.870 113 S HN 0.616 nan 8.310 nan 0.000 0.497 114 A N 2.623 125.251 122.820 -0.320 0.000 1.892 114 A HA -0.109 4.210 4.320 -0.002 0.000 0.218 114 A C 2.301 179.879 177.584 -0.010 0.000 1.188 114 A CA 2.451 54.201 52.037 -0.478 0.000 0.631 114 A CB -1.780 16.749 19.000 -0.786 0.000 0.822 114 A HN 0.543 nan 8.150 nan 0.000 0.447 115 T N 0.191 114.742 114.554 -0.006 0.000 2.867 115 T HA -0.061 4.288 4.350 -0.002 0.000 0.268 115 T C 1.763 176.500 174.700 0.062 0.000 1.057 115 T CA 1.404 63.540 62.100 0.061 0.000 1.136 115 T CB -0.418 68.477 68.868 0.045 0.000 0.874 115 T HN 0.452 nan 8.240 nan 0.000 0.466 116 I N -0.214 120.361 120.570 0.008 0.000 2.179 116 I HA -0.179 3.990 4.170 -0.002 0.000 0.242 116 I C 2.146 178.213 176.117 -0.084 0.000 1.088 116 I CA 1.557 62.843 61.300 -0.024 0.000 1.357 116 I CB -0.428 37.557 38.000 -0.026 0.000 1.051 116 I HN 0.199 nan 8.210 nan 0.000 0.409 117 Y N 0.742 121.079 120.300 0.061 0.000 2.181 117 Y HA -0.291 4.258 4.550 -0.002 0.000 0.288 117 Y C 2.335 178.322 175.900 0.146 0.000 1.146 117 Y CA 1.844 59.980 58.100 0.061 0.000 1.164 117 Y CB -0.614 38.046 38.460 0.332 0.000 0.982 117 Y HN 0.209 nan 8.280 nan 0.000 0.515 118 D N -0.359 120.266 120.400 0.374 0.000 2.104 118 D HA -0.177 4.462 4.640 -0.002 0.000 0.194 118 D C 2.167 178.602 176.300 0.224 0.000 0.994 118 D CA 1.468 55.667 54.000 0.331 0.000 0.830 118 D CB -0.190 40.763 40.800 0.255 0.000 0.959 118 D HN 0.087 nan 8.370 nan 0.000 0.452 119 V N -0.243 119.770 119.914 0.165 0.000 2.343 119 V HA -0.292 3.827 4.120 -0.002 0.000 0.247 119 V C 2.727 178.864 176.094 0.071 0.000 1.051 119 V CA 1.525 63.981 62.300 0.261 0.000 1.036 119 V CB -0.471 31.530 31.823 0.297 0.000 0.654 119 V HN 0.455 nan 8.190 nan 0.000 0.451 120 C N -0.623 118.452 119.300 -0.375 0.000 2.432 120 C HA -0.141 4.318 4.460 -0.002 0.000 0.277 120 C C 2.497 177.009 174.990 -0.796 0.000 1.249 120 C CA 0.812 59.259 59.018 -0.951 0.000 1.725 120 C CB -1.249 25.252 27.740 -2.065 0.000 2.028 120 C HN 0.540 nan 8.230 nan 0.000 0.477 121 F N 1.590 121.324 119.950 -0.360 0.000 2.234 121 F HA -0.077 4.449 4.527 -0.002 0.000 0.299 121 F C 2.330 178.054 175.800 -0.127 0.000 1.087 121 F CA 1.294 59.254 58.000 -0.066 0.000 1.340 121 F CB -0.537 38.524 39.000 0.102 0.000 1.031 121 F HN 0.305 nan 8.300 nan 0.000 0.500 122 N N -1.409 117.270 118.700 -0.035 0.000 2.376 122 N HA -0.073 4.666 4.740 -0.002 0.000 0.177 122 N C 1.135 176.197 175.510 -0.746 0.000 1.024 122 N CA 1.084 53.905 53.050 -0.383 0.000 0.893 122 N CB -0.139 38.075 38.487 -0.456 0.000 0.980 122 N HN 0.387 nan 8.380 nan 0.000 0.439 123 H N -2.665 116.329 119.070 -0.128 0.000 3.398 123 H HA 0.240 4.795 4.556 -0.002 0.000 0.260 123 H C 0.408 175.321 175.328 -0.691 0.000 1.189 123 H CA -0.041 55.779 56.048 -0.380 0.000 1.145 123 H CB 0.561 30.075 29.762 -0.414 0.000 1.599 123 H HN 0.107 nan 8.280 nan 0.000 0.615 124 F N -0.543 119.359 119.950 -0.080 0.000 2.334 124 F HA 0.183 4.709 4.527 -0.002 0.000 0.269 124 F C 0.381 176.239 175.800 0.097 0.000 0.879 124 F CA -0.437 57.540 58.000 -0.037 0.000 1.102 124 F CB 0.049 38.953 39.000 -0.160 0.000 1.032 124 F HN -0.187 nan 8.300 nan 0.000 0.782 125 F N 3.745 123.762 119.950 0.111 0.000 2.571 125 F HA 0.139 4.665 4.527 -0.002 0.000 0.390 125 F C 0.772 176.634 175.800 0.102 0.000 1.043 125 F CA -0.407 57.627 58.000 0.057 0.000 1.164 125 F CB -0.479 38.430 39.000 -0.153 0.000 1.049 125 F HN -0.214 nan 8.300 nan 0.000 0.552 126 R N 2.332 123.045 120.500 0.355 0.000 2.297 126 R HA 0.639 4.978 4.340 -0.002 0.000 0.308 126 R C 0.075 176.502 176.300 0.212 0.000 1.029 126 R CA -0.627 55.640 56.100 0.278 0.000 0.929 126 R CB 1.084 31.553 30.300 0.281 0.000 1.046 126 R HN 0.701 nan 8.270 nan 0.000 0.461 127 A N 2.799 125.732 122.820 0.188 0.000 2.257 127 A HA 0.293 4.612 4.320 -0.002 0.000 0.289 127 A C 0.037 177.671 177.584 0.082 0.000 1.095 127 A CA -0.622 51.489 52.037 0.123 0.000 0.836 127 A CB 0.462 19.514 19.000 0.087 0.000 1.111 127 A HN 0.807 nan 8.150 nan 0.000 0.497 128 R N 0.320 120.852 120.500 0.054 0.000 2.583 128 R HA 0.076 4.415 4.340 -0.002 0.000 0.274 128 R C -0.177 176.123 176.300 -0.001 0.000 0.998 128 R CA 1.085 57.199 56.100 0.023 0.000 1.081 128 R CB -0.130 30.185 30.300 0.024 0.000 0.940 128 R HN 0.978 nan 8.270 nan 0.000 0.413 129 N N 0.165 118.833 118.700 -0.053 0.000 3.229 129 N HA 0.045 4.784 4.740 -0.002 0.000 0.315 129 N C -0.046 175.426 175.510 -0.063 0.000 1.520 129 N CA -0.685 52.309 53.050 -0.094 0.000 0.769 129 N CB 0.554 38.856 38.487 -0.308 0.000 1.766 129 N HN 0.604 nan 8.380 nan 0.000 0.618 130 E N -0.873 119.291 120.200 -0.059 0.000 2.208 130 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 130 E C 0.806 177.386 176.600 -0.033 0.000 0.988 130 E CA 1.179 57.563 56.400 -0.027 0.000 0.828 130 E CB -0.095 29.598 29.700 -0.010 0.000 0.763 130 E HN 0.519 nan 8.360 nan 0.000 0.478 131 Q N 1.088 120.848 119.800 -0.066 0.000 2.123 131 Q HA 0.075 4.414 4.340 -0.002 0.000 0.196 131 Q C -0.184 175.792 176.000 -0.040 0.000 0.958 131 Q CA 1.736 57.508 55.803 -0.052 0.000 0.841 131 Q CB 0.323 29.020 28.738 -0.069 0.000 0.915 131 Q HN 0.606 nan 8.270 nan 0.000 0.455 132 D N -3.962 116.407 120.400 -0.052 0.000 2.643 132 D HA 0.350 4.989 4.640 -0.002 0.000 0.283 132 D C 0.451 176.745 176.300 -0.010 0.000 1.242 132 D CA -0.468 53.518 54.000 -0.022 0.000 0.863 132 D CB 0.160 40.948 40.800 -0.020 0.000 1.382 132 D HN -0.045 nan 8.370 nan 0.000 0.444 133 G N -1.171 107.641 108.800 0.021 0.000 2.708 133 G HA2 0.408 4.367 3.960 -0.002 0.000 0.210 133 G HA3 0.408 4.367 3.960 -0.002 0.000 0.210 133 G C 0.990 175.919 174.900 0.048 0.000 1.141 133 G CA 0.446 45.569 45.100 0.038 0.000 0.788 133 G HN 1.143 nan 8.290 nan 0.000 0.531 134 G N -0.119 108.703 108.800 0.038 0.000 2.741 134 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.222 134 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.222 134 G C -0.752 174.210 174.900 0.103 0.000 1.364 134 G CA -0.313 44.828 45.100 0.068 0.000 0.866 134 G HN 0.238 nan 8.290 nan 0.000 0.555 135 D N 0.329 120.813 120.400 0.140 0.000 2.382 135 D HA 0.400 5.039 4.640 -0.002 0.000 0.245 135 D C 0.747 177.125 176.300 0.130 0.000 1.120 135 D CA 0.233 54.331 54.000 0.165 0.000 0.890 135 D CB 0.850 41.838 40.800 0.314 0.000 1.201 135 D HN 0.457 nan 8.370 nan 0.000 0.433 136 L N 2.151 123.460 121.223 0.143 0.000 2.264 136 L HA 0.275 4.614 4.340 -0.002 0.000 0.287 136 L C -0.357 176.596 176.870 0.137 0.000 1.039 136 L CA -0.808 54.145 54.840 0.188 0.000 0.829 136 L CB 0.968 43.114 42.059 0.144 0.000 1.211 136 L HN -0.051 nan 8.230 nan 0.000 0.427 137 V N 3.504 123.448 119.914 0.050 0.000 2.350 137 V HA 0.187 4.306 4.120 -0.002 0.000 0.276 137 V C -0.479 175.568 176.094 -0.078 0.000 1.028 137 V CA -0.467 61.729 62.300 -0.173 0.000 0.860 137 V CB 0.913 32.136 31.823 -1.000 0.000 0.990 137 V HN 0.405 nan 8.190 nan 0.000 0.453 138 Y N 4.889 125.184 120.300 -0.008 0.000 2.714 138 Y HA 0.418 4.967 4.550 -0.002 0.000 0.333 138 Y C 0.343 176.352 175.900 0.182 0.000 1.220 138 Y CA -1.005 57.169 58.100 0.123 0.000 1.513 138 Y CB -0.337 38.131 38.460 0.014 0.000 1.435 138 Y HN 0.504 nan 8.280 nan 0.000 0.489 139 F N 1.113 121.253 119.950 0.317 0.000 2.608 139 F HA -0.026 4.500 4.527 -0.002 0.000 0.380 139 F C 1.090 176.998 175.800 0.179 0.000 1.083 139 F CA -0.027 58.112 58.000 0.232 0.000 1.266 139 F CB 0.425 39.512 39.000 0.145 0.000 1.076 139 F HN 0.346 nan 8.300 nan 0.000 0.574 140 Q N 2.756 122.801 119.800 0.408 0.000 2.274 140 Q HA 0.060 4.399 4.340 -0.002 0.000 0.280 140 Q C 1.384 177.412 176.000 0.046 0.000 1.047 140 Q CA 0.331 56.254 55.803 0.200 0.000 0.907 140 Q CB 1.012 29.852 28.738 0.172 0.000 1.171 140 Q HN 0.973 nan 8.270 nan 0.000 0.381 141 G N 3.914 112.714 108.800 -0.000 0.000 2.553 141 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.218 141 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.218 141 G C 0.953 175.898 174.900 0.076 0.000 1.195 141 G CA 1.225 46.288 45.100 -0.063 0.000 0.779 141 G HN 0.983 nan 8.290 nan 0.000 0.577 142 H N 0.684 119.736 119.070 -0.031 0.000 2.556 142 H HA 0.103 4.658 4.556 -0.002 0.000 0.268 142 H C 1.867 177.267 175.328 0.120 0.000 0.996 142 H CA 0.796 56.890 56.048 0.077 0.000 1.157 142 H CB -0.428 29.084 29.762 -0.416 0.000 1.355 142 H HN 0.566 nan 8.280 nan 0.000 0.597 143 I N -0.442 120.086 120.570 -0.071 0.000 3.861 143 I HA 0.133 4.301 4.170 -0.002 0.000 0.329 143 I C 1.918 177.919 176.117 -0.194 0.000 1.321 143 I CA 0.038 61.325 61.300 -0.022 0.000 1.126 143 I CB -0.042 38.025 38.000 0.111 0.000 1.018 143 I HN 0.072 nan 8.210 nan 0.000 0.407 144 S N 1.288 116.920 115.700 -0.113 0.000 2.402 144 S HA -0.053 4.416 4.470 -0.002 0.000 0.233 144 S C -0.378 173.965 174.600 -0.427 0.000 1.030 144 S CA 1.108 59.159 58.200 -0.247 0.000 1.003 144 S CB -2.083 61.019 63.200 -0.165 0.000 0.813 144 S HN 0.378 nan 8.310 nan 0.000 0.477 145 P HA 0.056 nan 4.420 nan 0.000 0.220 145 P C 1.770 178.774 177.300 -0.492 0.000 1.148 145 P CA 1.516 64.442 63.100 -0.289 0.000 0.803 145 P CB -0.637 30.891 31.700 -0.287 0.000 0.782 146 G N -0.619 107.618 108.800 -0.939 0.000 2.408 146 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.215 146 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.215 146 G C 1.542 175.939 174.900 -0.838 0.000 1.156 146 G CA 0.356 44.479 45.100 -1.628 0.000 0.793 146 G HN 0.135 nan 8.290 nan 0.000 0.535 147 V N 0.140 119.657 119.914 -0.661 0.000 2.427 147 V HA -0.155 3.964 4.120 -0.002 0.000 0.248 147 V C 2.426 178.370 176.094 -0.250 0.000 1.051 147 V CA 1.201 63.222 62.300 -0.465 0.000 1.048 147 V CB -0.701 30.820 31.823 -0.505 0.000 0.666 147 V HN 0.362 nan 8.190 nan 0.000 0.456 148 Y N 0.829 121.014 120.300 -0.192 0.000 2.200 148 Y HA -0.089 4.460 4.550 -0.002 0.000 0.290 148 Y C 2.562 178.358 175.900 -0.172 0.000 1.137 148 Y CA 0.709 58.698 58.100 -0.185 0.000 1.163 148 Y CB -1.344 36.992 38.460 -0.207 0.000 0.988 148 Y HN 0.190 nan 8.280 nan 0.000 0.518 149 A N 0.334 123.121 122.820 -0.055 0.000 1.877 149 A HA -0.240 4.079 4.320 -0.002 0.000 0.216 149 A C 2.417 180.023 177.584 0.037 0.000 1.186 149 A CA 1.997 54.017 52.037 -0.030 0.000 0.620 149 A CB -0.750 18.204 19.000 -0.076 0.000 0.822 149 A HN 0.439 nan 8.150 nan 0.000 0.443 150 R N -0.360 120.094 120.500 -0.077 0.000 2.075 150 R HA -0.041 4.298 4.340 -0.002 0.000 0.232 150 R C 2.224 178.461 176.300 -0.106 0.000 1.126 150 R CA 1.494 57.520 56.100 -0.123 0.000 0.963 150 R CB -0.452 29.651 30.300 -0.328 0.000 0.858 150 R HN 0.387 nan 8.270 nan 0.000 0.435 151 A N 0.491 123.275 122.820 -0.059 0.000 1.972 151 A HA -0.164 4.155 4.320 -0.002 0.000 0.219 151 A C 1.948 179.521 177.584 -0.019 0.000 1.169 151 A CA 1.170 53.204 52.037 -0.006 0.000 0.635 151 A CB -0.751 18.355 19.000 0.176 0.000 0.810 151 A HN 0.572 nan 8.150 nan 0.000 0.446 152 F N 0.110 119.988 119.950 -0.121 0.000 2.102 152 F HA -0.113 4.413 4.527 -0.002 0.000 0.298 152 F C 1.757 177.496 175.800 -0.102 0.000 1.105 152 F CA 1.703 59.613 58.000 -0.150 0.000 1.239 152 F CB -0.418 38.446 39.000 -0.225 0.000 0.991 152 F HN 0.172 nan 8.300 nan 0.000 0.474 153 L N 0.889 121.982 121.223 -0.216 0.000 2.131 153 L HA -0.151 4.188 4.340 -0.002 0.000 0.210 153 L C 1.954 178.704 176.870 -0.200 0.000 1.092 153 L CA 1.804 56.500 54.840 -0.240 0.000 0.759 153 L CB -0.803 41.257 42.059 0.001 0.000 0.903 153 L HN 0.235 nan 8.230 nan 0.000 0.435 154 E N -0.810 119.268 120.200 -0.203 0.000 2.511 154 E HA 0.124 4.473 4.350 -0.002 0.000 0.196 154 E C 1.249 177.765 176.600 -0.141 0.000 1.066 154 E CA 0.515 56.780 56.400 -0.226 0.000 0.871 154 E CB -0.132 29.402 29.700 -0.277 0.000 0.863 154 E HN 0.556 nan 8.360 nan 0.000 0.520 155 G N 1.960 110.629 108.800 -0.219 0.000 2.147 155 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.244 155 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.244 155 G C 0.811 175.605 174.900 -0.178 0.000 1.005 155 G CA 0.355 45.330 45.100 -0.210 0.000 0.713 155 G HN 0.272 nan 8.290 nan 0.000 0.515 156 R N -1.074 119.328 120.500 -0.163 0.000 2.290 156 R HA 0.409 4.748 4.340 -0.002 0.000 0.197 156 R C 0.836 177.104 176.300 -0.054 0.000 0.913 156 R CA 0.414 56.455 56.100 -0.098 0.000 1.040 156 R CB 0.436 30.701 30.300 -0.059 0.000 0.992 156 R HN 0.433 nan 8.270 nan 0.000 0.500 157 L N 0.369 121.562 121.223 -0.050 0.000 2.371 157 L HA 0.359 4.698 4.340 -0.002 0.000 0.262 157 L C 0.165 177.077 176.870 0.072 0.000 1.006 157 L CA -0.932 53.883 54.840 -0.043 0.000 0.818 157 L CB 2.326 44.330 42.059 -0.093 0.000 1.354 157 L HN -0.020 nan 8.230 nan 0.000 0.415 158 T N -2.843 111.732 114.554 0.035 0.000 2.912 158 T HA 0.186 4.535 4.350 -0.002 0.000 0.280 158 T C 0.568 175.302 174.700 0.057 0.000 0.989 158 T CA -0.483 61.679 62.100 0.102 0.000 0.995 158 T CB 1.723 70.601 68.868 0.017 0.000 1.077 158 T HN 0.712 nan 8.240 nan 0.000 0.531 159 Q N 0.186 120.037 119.800 0.085 0.000 2.124 159 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 159 Q C 2.143 178.066 176.000 -0.129 0.000 0.977 159 Q CA 2.014 57.718 55.803 -0.164 0.000 0.850 159 Q CB -0.232 28.538 28.738 0.053 0.000 0.901 159 Q HN 0.912 nan 8.270 nan 0.000 0.429 160 E N 0.044 120.215 120.200 -0.049 0.000 2.085 160 E HA -0.296 4.053 4.350 -0.002 0.000 0.194 160 E C 1.919 178.467 176.600 -0.088 0.000 0.994 160 E CA 1.490 57.863 56.400 -0.045 0.000 0.801 160 E CB -0.294 29.389 29.700 -0.030 0.000 0.743 160 E HN 0.530 nan 8.360 nan 0.000 0.453 161 Q N 0.543 120.266 119.800 -0.129 0.000 2.079 161 Q HA -0.053 4.286 4.340 -0.002 0.000 0.200 161 Q C 2.546 178.405 176.000 -0.234 0.000 0.974 161 Q CA 1.462 57.155 55.803 -0.183 0.000 0.840 161 Q CB -0.083 28.521 28.738 -0.223 0.000 0.898 161 Q HN 0.364 nan 8.270 nan 0.000 0.430 162 L N 0.760 121.788 121.223 -0.325 0.000 2.083 162 L HA -0.213 4.126 4.340 -0.002 0.000 0.209 162 L C 1.574 178.371 176.870 -0.121 0.000 1.083 162 L CA 0.858 55.472 54.840 -0.377 0.000 0.752 162 L CB -0.358 41.182 42.059 -0.864 0.000 0.899 162 L HN 0.197 nan 8.230 nan 0.000 0.433 163 D N -0.230 120.136 120.400 -0.058 0.000 2.350 163 D HA -0.097 4.542 4.640 -0.002 0.000 0.216 163 D C 1.098 177.408 176.300 0.018 0.000 0.968 163 D CA 0.781 54.805 54.000 0.040 0.000 0.894 163 D CB -0.085 40.742 40.800 0.045 0.000 0.909 163 D HN 0.256 nan 8.370 nan 0.000 0.520 164 N N 0.268 118.956 118.700 -0.020 0.000 2.328 164 N HA -0.004 4.735 4.740 -0.002 0.000 0.247 164 N C -0.289 175.205 175.510 -0.026 0.000 1.165 164 N CA -0.347 52.688 53.050 -0.026 0.000 0.873 164 N CB 0.095 38.552 38.487 -0.049 0.000 1.125 164 N HN 0.077 nan 8.380 nan 0.000 0.513 165 F N 2.403 122.263 119.950 -0.149 0.000 2.602 165 F HA 0.015 4.541 4.527 -0.002 0.000 0.385 165 F C 1.250 176.996 175.800 -0.089 0.000 1.063 165 F CA 0.346 58.252 58.000 -0.157 0.000 1.233 165 F CB 0.237 39.166 39.000 -0.118 0.000 1.067 165 F HN 0.163 nan 8.300 nan 0.000 0.564 166 R N 2.690 122.797 120.500 -0.654 0.000 3.878 166 R HA -0.215 4.124 4.340 -0.002 0.000 0.330 166 R C -0.730 175.422 176.300 -0.247 0.000 1.186 166 R CA 1.068 56.837 56.100 -0.552 0.000 0.885 166 R CB -1.779 28.066 30.300 -0.758 0.000 1.377 166 R HN 0.799 nan 8.270 nan 0.000 0.523 167 Q N -0.009 119.698 119.800 -0.154 0.000 2.695 167 Q HA 0.150 4.489 4.340 -0.002 0.000 0.246 167 Q C -0.190 175.782 176.000 -0.046 0.000 0.961 167 Q CA -0.267 55.496 55.803 -0.068 0.000 0.708 167 Q CB 1.340 30.060 28.738 -0.029 0.000 1.282 167 Q HN 0.289 nan 8.270 nan 0.000 0.482 168 E N 0.381 120.553 120.200 -0.047 0.000 2.473 168 E HA 0.005 4.354 4.350 -0.002 0.000 0.204 168 E C 1.432 178.011 176.600 -0.035 0.000 0.994 168 E CA 0.141 56.519 56.400 -0.036 0.000 0.945 168 E CB 0.699 30.379 29.700 -0.034 0.000 0.990 168 E HN 0.206 nan 8.360 nan 0.000 0.493 169 V N 1.275 121.154 119.914 -0.059 0.000 2.324 169 V HA -0.271 3.848 4.120 -0.002 0.000 0.250 169 V C 1.421 177.376 176.094 -0.232 0.000 1.060 169 V CA 2.049 64.252 62.300 -0.161 0.000 1.042 169 V CB -0.572 31.104 31.823 -0.246 0.000 0.650 169 V HN 0.352 nan 8.190 nan 0.000 0.450 170 H N -0.539 118.514 119.070 -0.029 0.000 2.533 170 H HA 0.359 4.914 4.556 -0.002 0.000 0.271 170 H C 1.695 177.006 175.328 -0.028 0.000 1.000 170 H CA 0.725 56.757 56.048 -0.027 0.000 1.149 170 H CB 0.123 29.869 29.762 -0.028 0.000 1.375 170 H HN 0.494 nan 8.280 nan 0.000 0.582 171 G N 0.649 109.470 108.800 0.034 0.000 2.234 171 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.235 171 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.235 171 G C 0.655 175.551 174.900 -0.007 0.000 0.997 171 G CA 0.182 45.287 45.100 0.009 0.000 0.623 171 G HN 0.522 nan 8.290 nan 0.000 0.514 172 N N 0.736 119.431 118.700 -0.008 0.000 2.541 172 N HA 0.448 5.187 4.740 -0.002 0.000 0.297 172 N C 0.727 176.195 175.510 -0.071 0.000 1.503 172 N CA 0.552 53.577 53.050 -0.041 0.000 0.919 172 N CB 0.155 38.623 38.487 -0.033 0.000 1.305 172 N HN 0.534 nan 8.380 nan 0.000 0.501 173 G N 0.143 108.898 108.800 -0.076 0.000 2.887 173 G HA2 0.670 4.629 3.960 -0.002 0.000 0.277 173 G HA3 0.670 4.629 3.960 -0.002 0.000 0.277 173 G C -0.985 173.815 174.900 -0.167 0.000 1.346 173 G CA -0.452 44.582 45.100 -0.110 0.000 1.058 173 G HN 0.133 nan 8.290 nan 0.000 0.535 174 L N 0.392 121.494 121.223 -0.203 0.000 2.386 174 L HA 0.407 4.746 4.340 -0.002 0.000 0.271 174 L C 0.181 176.994 176.870 -0.096 0.000 0.993 174 L CA -0.761 53.916 54.840 -0.272 0.000 0.819 174 L CB 2.278 43.929 42.059 -0.680 0.000 1.294 174 L HN 0.419 nan 8.230 nan 0.000 0.414 175 S N 0.134 115.905 115.700 0.119 0.000 2.584 175 S HA 0.033 4.502 4.470 -0.002 0.000 0.270 175 S C 1.264 175.914 174.600 0.084 0.000 1.346 175 S CA -0.155 58.132 58.200 0.145 0.000 1.018 175 S CB 1.444 64.835 63.200 0.319 0.000 0.899 175 S HN 0.841 nan 8.310 nan 0.000 0.542 176 S N 0.989 116.582 115.700 -0.179 0.000 2.359 176 S HA -0.106 4.363 4.470 -0.002 0.000 0.224 176 S C 0.148 174.434 174.600 -0.524 0.000 1.035 176 S CA 1.169 59.040 58.200 -0.548 0.000 1.018 176 S CB -0.541 62.094 63.200 -0.943 0.000 0.876 176 S HN 0.687 nan 8.310 nan 0.000 0.448 177 Y N 0.610 120.881 120.300 -0.048 0.000 2.698 177 Y HA 0.592 5.141 4.550 -0.002 0.000 0.332 177 Y C -2.997 172.300 175.900 -1.006 0.000 1.119 177 Y CA -3.167 54.671 58.100 -0.436 0.000 1.109 177 Y CB -0.064 38.168 38.460 -0.380 0.000 1.308 177 Y HN -0.172 nan 8.280 nan 0.000 0.499 178 P HA 0.131 nan 4.420 nan 0.000 0.268 178 P C -1.104 175.713 177.300 -0.806 0.000 1.282 178 P CA 0.560 62.668 63.100 -1.653 0.000 0.880 178 P CB -0.100 30.888 31.700 -1.187 0.000 0.971 179 H N 4.486 123.459 119.070 -0.162 0.000 2.791 179 H HA 0.204 4.759 4.556 -0.002 0.000 0.272 179 H C -1.898 173.548 175.328 0.197 0.000 1.188 179 H CA -2.114 53.979 56.048 0.075 0.000 1.436 179 H CB 1.145 30.965 29.762 0.096 0.000 1.467 179 H HN 0.231 nan 8.280 nan 0.000 0.500 180 P HA -0.205 nan 4.420 nan 0.000 0.216 180 P C 1.805 179.209 177.300 0.174 0.000 1.150 180 P CA 1.304 64.535 63.100 0.218 0.000 0.843 180 P CB 0.638 32.401 31.700 0.105 0.000 0.787 181 K N -0.032 120.454 120.400 0.143 0.000 2.147 181 K HA -0.091 4.228 4.320 -0.002 0.000 0.205 181 K C 1.769 178.424 176.600 0.092 0.000 1.049 181 K CA 1.456 57.794 56.287 0.085 0.000 0.936 181 K CB -1.005 31.508 32.500 0.022 0.000 0.722 181 K HN 0.115 nan 8.250 nan 0.000 0.446 182 L N -0.955 120.356 121.223 0.147 0.000 2.298 182 L HA 0.214 4.553 4.340 -0.002 0.000 0.209 182 L C 0.825 177.788 176.870 0.156 0.000 1.084 182 L CA 0.349 55.270 54.840 0.136 0.000 0.816 182 L CB 0.049 42.206 42.059 0.164 0.000 0.967 182 L HN 0.099 nan 8.230 nan 0.000 0.460 183 M N 0.906 120.646 119.600 0.234 0.000 2.389 183 M HA 0.215 4.694 4.480 -0.002 0.000 0.206 183 M C -1.813 174.614 176.300 0.212 0.000 0.976 183 M CA -1.203 54.228 55.300 0.218 0.000 0.648 183 M CB 1.606 34.393 32.600 0.312 0.000 1.474 183 M HN -0.237 nan 8.290 nan 0.000 0.398 184 P HA -0.163 nan 4.420 nan 0.000 0.223 184 P C 0.236 177.587 177.300 0.085 0.000 1.144 184 P CA 1.459 64.622 63.100 0.106 0.000 0.783 184 P CB 0.238 31.986 31.700 0.079 0.000 0.771 185 E N -3.099 117.159 120.200 0.097 0.000 2.526 185 E HA 0.132 4.481 4.350 -0.002 0.000 0.208 185 E C 0.901 177.557 176.600 0.093 0.000 0.997 185 E CA -0.217 56.227 56.400 0.074 0.000 0.961 185 E CB 0.099 29.837 29.700 0.064 0.000 1.030 185 E HN 0.243 nan 8.360 nan 0.000 0.483 186 F N -0.456 119.444 119.950 -0.084 0.000 2.495 186 F HA 0.252 4.778 4.527 -0.002 0.000 0.271 186 F C -0.120 175.537 175.800 -0.238 0.000 0.889 186 F CA -0.194 57.672 58.000 -0.223 0.000 1.129 186 F CB 0.361 39.147 39.000 -0.356 0.000 1.169 186 F HN -0.145 nan 8.300 nan 0.000 0.781 187 W N 1.992 123.405 121.300 0.187 0.000 2.237 187 W HA 0.347 5.006 4.660 -0.002 0.000 0.335 187 W C 0.998 177.426 176.519 -0.153 0.000 1.230 187 W CA -0.212 57.141 57.345 0.014 0.000 1.253 187 W CB 0.848 30.381 29.460 0.122 0.000 1.129 187 W HN 0.129 nan 8.180 nan 0.000 0.590 188 Q N 0.511 120.316 119.800 0.008 0.000 2.471 188 Q HA 0.167 4.506 4.340 -0.002 0.000 0.259 188 Q C -0.651 174.820 176.000 -0.882 0.000 0.850 188 Q CA 0.296 55.738 55.803 -0.602 0.000 0.981 188 Q CB 0.745 28.809 28.738 -1.123 0.000 1.180 188 Q HN 0.297 nan 8.270 nan 0.000 0.571 189 F N 1.666 121.603 119.950 -0.022 0.000 2.499 189 F HA 0.400 4.926 4.527 -0.002 0.000 0.333 189 F C -2.463 173.320 175.800 -0.029 0.000 1.138 189 F CA -3.134 54.789 58.000 -0.128 0.000 0.945 189 F CB 1.297 39.932 39.000 -0.608 0.000 1.181 189 F HN -0.199 nan 8.300 nan 0.000 0.435 190 P HA 0.172 nan 4.420 nan 0.000 0.274 190 P C 0.621 178.022 177.300 0.168 0.000 1.291 190 P CA -0.044 63.137 63.100 0.134 0.000 0.815 190 P CB 0.643 32.474 31.700 0.218 0.000 0.897 191 T N -2.092 112.515 114.554 0.088 0.000 3.010 191 T HA 0.030 4.379 4.350 -0.002 0.000 0.257 191 T C 1.378 176.094 174.700 0.026 0.000 1.020 191 T CA 0.117 62.285 62.100 0.113 0.000 0.938 191 T CB -0.676 68.283 68.868 0.151 0.000 1.049 191 T HN 0.043 nan 8.240 nan 0.000 0.522 192 V N 0.772 120.650 119.914 -0.061 0.000 2.392 192 V HA -0.059 4.060 4.120 -0.002 0.000 0.249 192 V C 1.806 177.842 176.094 -0.097 0.000 1.059 192 V CA 1.303 63.485 62.300 -0.196 0.000 1.051 192 V CB -1.355 30.228 31.823 -0.401 0.000 0.658 192 V HN 0.518 nan 8.190 nan 0.000 0.455 193 S N 1.431 117.138 115.700 0.012 0.000 2.503 193 S HA 0.343 4.812 4.470 -0.002 0.000 0.317 193 S C 0.140 174.759 174.600 0.033 0.000 1.162 193 S CA -0.290 57.931 58.200 0.036 0.000 1.124 193 S CB -0.822 62.436 63.200 0.097 0.000 1.207 193 S HN 0.407 nan 8.310 nan 0.000 0.538 194 M N 3.907 123.511 119.600 0.007 0.000 2.243 194 M HA 0.327 4.806 4.480 -0.002 0.000 0.341 194 M C 1.655 177.964 176.300 0.015 0.000 1.130 194 M CA 0.978 56.284 55.300 0.011 0.000 1.162 194 M CB 0.483 33.084 32.600 0.002 0.000 1.497 194 M HN 0.877 nan 8.290 nan 0.000 0.456 195 G N 1.248 110.054 108.800 0.009 0.000 2.308 195 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.221 195 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.221 195 G C 0.634 175.547 174.900 0.022 0.000 1.032 195 G CA 0.177 45.282 45.100 0.009 0.000 0.623 195 G HN 0.633 nan 8.290 nan 0.000 0.506 196 L N 1.296 122.545 121.223 0.043 0.000 2.131 196 L HA 0.179 4.518 4.340 -0.002 0.000 0.206 196 L C 3.121 180.035 176.870 0.073 0.000 1.087 196 L CA 1.429 56.311 54.840 0.070 0.000 0.767 196 L CB -0.916 41.205 42.059 0.103 0.000 0.917 196 L HN 0.390 nan 8.230 nan 0.000 0.441 197 G N 1.536 110.378 108.800 0.069 0.000 2.491 197 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.218 197 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.218 197 G C -0.464 174.350 174.900 -0.143 0.000 1.180 197 G CA 1.011 46.142 45.100 0.052 0.000 0.774 197 G HN 0.329 nan 8.290 nan 0.000 0.562 198 P HA -0.002 nan 4.420 nan 0.000 0.216 198 P C 2.044 179.390 177.300 0.076 0.000 1.153 198 P CA 0.764 63.727 63.100 -0.229 0.000 0.844 198 P CB 0.046 31.615 31.700 -0.219 0.000 0.787 199 I N -0.210 120.420 120.570 0.099 0.000 2.406 199 I HA -0.016 4.153 4.170 -0.002 0.000 0.249 199 I C 2.325 178.557 176.117 0.192 0.000 1.122 199 I CA 1.369 62.788 61.300 0.199 0.000 1.431 199 I CB -0.696 37.406 38.000 0.170 0.000 1.087 199 I HN -0.113 nan 8.210 nan 0.000 0.424 200 G N 0.364 109.205 108.800 0.067 0.000 2.440 200 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.218 200 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.218 200 G C 1.733 176.562 174.900 -0.119 0.000 1.154 200 G CA 0.759 45.892 45.100 0.055 0.000 0.767 200 G HN 0.546 nan 8.290 nan 0.000 0.552 201 A N 0.803 123.342 122.820 -0.468 0.000 1.877 201 A HA 0.025 4.344 4.320 -0.002 0.000 0.216 201 A C 2.403 179.886 177.584 -0.168 0.000 1.186 201 A CA 1.334 52.977 52.037 -0.656 0.000 0.620 201 A CB -0.401 18.189 19.000 -0.682 0.000 0.822 201 A HN 0.370 nan 8.150 nan 0.000 0.443 202 I N -1.927 118.644 120.570 0.001 0.000 2.151 202 I HA -0.326 3.843 4.170 -0.002 0.000 0.243 202 I C 2.313 178.294 176.117 -0.227 0.000 1.080 202 I CA 1.733 62.981 61.300 -0.088 0.000 1.339 202 I CB -0.387 37.558 38.000 -0.093 0.000 1.039 202 I HN 0.435 nan 8.210 nan 0.000 0.409 203 Y N -0.061 120.238 120.300 -0.001 0.000 2.457 203 Y HA -0.204 4.345 4.550 -0.002 0.000 0.292 203 Y C 2.587 178.517 175.900 0.050 0.000 1.125 203 Y CA 0.943 59.055 58.100 0.019 0.000 1.254 203 Y CB -0.265 38.196 38.460 0.001 0.000 1.012 203 Y HN 0.202 nan 8.280 nan 0.000 0.555 204 Q N 0.727 120.599 119.800 0.119 0.000 2.046 204 Q HA -0.115 4.224 4.340 -0.002 0.000 0.200 204 Q C 2.367 178.436 176.000 0.116 0.000 0.975 204 Q CA 1.818 57.702 55.803 0.135 0.000 0.836 204 Q CB -0.502 28.290 28.738 0.090 0.000 0.896 204 Q HN 0.345 nan 8.270 nan 0.000 0.428 205 A N 0.758 123.583 122.820 0.009 0.000 1.908 205 A HA -0.253 4.066 4.320 -0.002 0.000 0.218 205 A C 2.105 179.679 177.584 -0.018 0.000 1.181 205 A CA 1.949 53.963 52.037 -0.038 0.000 0.627 205 A CB -0.692 18.237 19.000 -0.118 0.000 0.818 205 A HN 0.438 nan 8.150 nan 0.000 0.445 206 K N -1.880 118.513 120.400 -0.012 0.000 2.097 206 K HA -0.125 4.194 4.320 -0.002 0.000 0.205 206 K C 1.744 178.414 176.600 0.116 0.000 1.050 206 K CA 1.463 57.772 56.287 0.036 0.000 0.938 206 K CB -0.293 32.203 32.500 -0.006 0.000 0.718 206 K HN 0.387 nan 8.250 nan 0.000 0.442 207 F N 1.515 121.470 119.950 0.008 0.000 2.186 207 F HA -0.089 4.438 4.527 -0.001 0.000 0.299 207 F C 1.565 177.399 175.800 0.056 0.000 1.090 207 F CA 1.109 59.114 58.000 0.009 0.000 1.307 207 F CB -0.006 38.995 39.000 0.002 0.000 1.019 207 F HN -0.030 nan 8.300 nan 0.000 0.489 208 L N -0.261 120.987 121.223 0.041 0.000 2.046 208 L HA -0.220 4.119 4.340 -0.002 0.000 0.208 208 L C 2.537 179.318 176.870 -0.149 0.000 1.077 208 L CA 1.131 55.937 54.840 -0.055 0.000 0.747 208 L CB -0.709 41.346 42.059 -0.006 0.000 0.896 208 L HN -0.021 nan 8.230 nan 0.000 0.432 209 K N -0.336 119.992 120.400 -0.120 0.000 2.057 209 K HA -0.222 4.097 4.320 -0.002 0.000 0.207 209 K C 2.056 178.522 176.600 -0.224 0.000 1.049 209 K CA 1.507 57.667 56.287 -0.211 0.000 0.931 209 K CB -0.590 31.862 32.500 -0.079 0.000 0.714 209 K HN 0.268 nan 8.250 nan 0.000 0.440 210 Y N 1.473 121.594 120.300 -0.297 0.000 2.128 210 Y HA -0.240 4.309 4.550 -0.002 0.000 0.284 210 Y C 2.000 177.612 175.900 -0.480 0.000 1.154 210 Y CA 1.209 58.974 58.100 -0.559 0.000 1.149 210 Y CB -0.277 37.639 38.460 -0.907 0.000 0.976 210 Y HN -0.120 nan 8.280 nan 0.000 0.505 211 L N 0.965 121.899 121.223 -0.482 0.000 2.083 211 L HA -0.188 4.151 4.340 -0.002 0.000 0.209 211 L C 2.510 179.193 176.870 -0.312 0.000 1.083 211 L CA 2.189 56.758 54.840 -0.452 0.000 0.752 211 L CB -1.282 40.570 42.059 -0.344 0.000 0.899 211 L HN 0.482 nan 8.230 nan 0.000 0.433 212 E N -1.271 118.765 120.200 -0.273 0.000 2.028 212 E HA -0.222 4.127 4.350 -0.002 0.000 0.191 212 E C 2.140 178.651 176.600 -0.149 0.000 0.988 212 E CA 1.252 57.523 56.400 -0.216 0.000 0.799 212 E CB -0.181 29.363 29.700 -0.260 0.000 0.755 212 E HN 0.623 nan 8.360 nan 0.000 0.447 213 H N -0.383 118.630 119.070 -0.096 0.000 2.387 213 H HA 0.005 4.561 4.556 -0.001 0.000 0.299 213 H C 1.916 177.174 175.328 -0.117 0.000 1.099 213 H CA 1.069 57.091 56.048 -0.043 0.000 1.315 213 H CB 0.148 29.990 29.762 0.132 0.000 1.380 213 H HN 0.039 nan 8.280 nan 0.000 0.513 214 R N 0.179 120.584 120.500 -0.159 0.000 2.313 214 R HA 0.023 4.362 4.340 -0.002 0.000 0.199 214 R C 0.969 177.169 176.300 -0.166 0.000 0.958 214 R CA 0.571 56.523 56.100 -0.247 0.000 1.047 214 R CB 0.440 30.402 30.300 -0.563 0.000 0.955 214 R HN 0.478 nan 8.270 nan 0.000 0.481 215 G N 1.146 109.871 108.800 -0.125 0.000 2.160 215 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.251 215 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.251 215 G C 0.613 175.453 174.900 -0.099 0.000 1.008 215 G CA 0.156 45.203 45.100 -0.089 0.000 0.724 215 G HN 0.307 nan 8.290 nan 0.000 0.514 216 L N -1.221 119.918 121.223 -0.139 0.000 2.202 216 L HA 0.391 4.730 4.340 -0.002 0.000 0.205 216 L C 1.311 178.130 176.870 -0.086 0.000 1.083 216 L CA 1.342 56.112 54.840 -0.117 0.000 0.790 216 L CB 0.223 42.188 42.059 -0.157 0.000 0.942 216 L HN 0.271 nan 8.230 nan 0.000 0.452 217 K N -0.204 120.137 120.400 -0.100 0.000 2.557 217 K HA 0.096 4.415 4.320 -0.002 0.000 0.257 217 K C -1.685 174.869 176.600 -0.077 0.000 0.933 217 K CA -0.655 55.591 56.287 -0.069 0.000 0.820 217 K CB 1.900 34.371 32.500 -0.050 0.000 1.330 217 K HN -0.273 nan 8.250 nan 0.000 0.432 218 D N 2.574 122.940 120.400 -0.056 0.000 2.374 218 D HA 0.050 4.689 4.640 -0.002 0.000 0.240 218 D C 0.526 176.794 176.300 -0.053 0.000 1.229 218 D CA 0.105 54.071 54.000 -0.057 0.000 0.895 218 D CB 1.004 41.780 40.800 -0.040 0.000 1.046 218 D HN 0.555 nan 8.370 nan 0.000 0.498 219 T N -0.631 113.881 114.554 -0.069 0.000 3.105 219 T HA -0.008 4.341 4.350 -0.002 0.000 0.253 219 T C 1.737 176.404 174.700 -0.054 0.000 1.047 219 T CA 0.279 62.346 62.100 -0.055 0.000 0.944 219 T CB -0.204 68.625 68.868 -0.065 0.000 1.016 219 T HN 0.221 nan 8.240 nan 0.000 0.544 220 S N 2.300 117.964 115.700 -0.060 0.000 2.420 220 S HA -0.146 4.323 4.470 -0.002 0.000 0.237 220 S C 1.724 176.307 174.600 -0.029 0.000 1.023 220 S CA 0.762 58.929 58.200 -0.054 0.000 0.991 220 S CB -0.549 62.623 63.200 -0.047 0.000 0.792 220 S HN 0.600 nan 8.310 nan 0.000 0.488 221 K N 0.855 121.248 120.400 -0.012 0.000 2.444 221 K HA 0.183 4.502 4.320 -0.002 0.000 0.193 221 K C 0.351 176.969 176.600 0.031 0.000 1.024 221 K CA 0.113 56.410 56.287 0.016 0.000 1.077 221 K CB 0.124 32.639 32.500 0.026 0.000 0.833 221 K HN 0.574 nan 8.250 nan 0.000 0.517 222 Q N 0.662 120.468 119.800 0.009 0.000 2.243 222 Q HA 0.180 4.519 4.340 -0.002 0.000 0.252 222 Q C -0.687 175.302 176.000 -0.019 0.000 0.909 222 Q CA 0.035 55.850 55.803 0.020 0.000 0.922 222 Q CB 1.804 30.554 28.738 0.020 0.000 1.215 222 Q HN -0.110 nan 8.270 nan 0.000 0.427 223 T N 1.404 115.942 114.554 -0.026 0.000 2.829 223 T HA 0.403 4.752 4.350 -0.002 0.000 0.280 223 T C -0.658 173.917 174.700 -0.209 0.000 0.999 223 T CA -0.557 61.431 62.100 -0.186 0.000 0.983 223 T CB 1.329 70.006 68.868 -0.318 0.000 0.968 223 T HN 0.242 nan 8.240 nan 0.000 0.446 224 V N 4.029 123.798 119.914 -0.241 0.000 2.370 224 V HA 0.395 4.514 4.120 -0.002 0.000 0.279 224 V C -1.120 174.861 176.094 -0.188 0.000 1.029 224 V CA -0.682 61.550 62.300 -0.113 0.000 0.870 224 V CB 0.357 32.139 31.823 -0.070 0.000 0.984 224 V HN 0.779 nan 8.190 nan 0.000 0.451 225 Y N 2.831 123.190 120.300 0.099 0.000 2.335 225 Y HA 0.693 5.242 4.550 -0.001 0.000 0.338 225 Y C 0.405 176.367 175.900 0.104 0.000 0.977 225 Y CA -0.630 57.529 58.100 0.097 0.000 1.114 225 Y CB 1.915 40.519 38.460 0.239 0.000 1.182 225 Y HN 0.659 nan 8.280 nan 0.000 0.463 226 A N 4.540 127.426 122.820 0.110 0.000 2.267 226 A HA 0.656 4.975 4.320 -0.002 0.000 0.315 226 A C -1.483 176.011 177.584 -0.150 0.000 1.297 226 A CA -0.502 51.513 52.037 -0.037 0.000 0.865 226 A CB -0.158 18.635 19.000 -0.345 0.000 1.165 226 A HN 0.617 nan 8.150 nan 0.000 0.513 227 F N 3.105 123.064 119.950 0.015 0.000 2.371 227 F HA 0.483 5.009 4.527 -0.002 0.000 0.363 227 F C 0.148 175.934 175.800 -0.024 0.000 1.122 227 F CA -0.024 57.982 58.000 0.011 0.000 1.129 227 F CB 1.018 40.094 39.000 0.126 0.000 1.173 227 F HN 0.385 nan 8.300 nan 0.000 0.489 228 L N 2.562 123.771 121.223 -0.024 0.000 2.322 228 L HA 0.796 5.135 4.340 -0.002 0.000 0.269 228 L C 0.572 177.438 176.870 -0.007 0.000 1.012 228 L CA -1.109 53.693 54.840 -0.064 0.000 0.815 228 L CB 1.671 43.592 42.059 -0.231 0.000 1.295 228 L HN 0.596 nan 8.230 nan 0.000 0.438 229 G N -0.652 108.160 108.800 0.020 0.000 2.462 229 G HA2 0.330 4.289 3.960 -0.002 0.000 0.319 229 G HA3 0.330 4.289 3.960 -0.002 0.000 0.319 229 G C 0.093 174.999 174.900 0.010 0.000 1.171 229 G CA -0.312 44.817 45.100 0.048 0.000 0.920 229 G HN 0.777 nan 8.290 nan 0.000 0.499 230 D N -0.044 120.364 120.400 0.013 0.000 2.194 230 D HA -0.042 4.597 4.640 -0.002 0.000 0.204 230 D C 2.153 178.462 176.300 0.014 0.000 0.964 230 D CA 1.080 55.079 54.000 -0.001 0.000 0.846 230 D CB -0.728 40.069 40.800 -0.005 0.000 0.962 230 D HN 0.481 nan 8.370 nan 0.000 0.490 231 G N 0.707 109.525 108.800 0.030 0.000 2.422 231 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.218 231 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.218 231 G C 1.450 176.362 174.900 0.019 0.000 1.146 231 G CA 0.746 45.862 45.100 0.027 0.000 0.769 231 G HN 0.493 nan 8.290 nan 0.000 0.547 232 E N -0.096 120.117 120.200 0.021 0.000 2.209 232 E HA -0.141 4.208 4.350 -0.002 0.000 0.196 232 E C 2.166 178.767 176.600 0.002 0.000 0.993 232 E CA 0.772 57.179 56.400 0.011 0.000 0.819 232 E CB -0.143 29.566 29.700 0.015 0.000 0.745 232 E HN 0.273 nan 8.360 nan 0.000 0.477 233 M N 1.007 120.609 119.600 0.004 0.000 2.549 233 M HA -0.077 4.402 4.480 -0.002 0.000 0.260 233 M C 0.807 177.116 176.300 0.015 0.000 1.076 233 M CA 0.972 56.282 55.300 0.017 0.000 1.090 233 M CB -0.549 32.074 32.600 0.038 0.000 1.418 233 M HN 0.055 nan 8.290 nan 0.000 0.486 234 D N 0.500 120.906 120.400 0.009 0.000 2.317 234 D HA -0.026 4.613 4.640 -0.002 0.000 0.211 234 D C 0.487 176.787 176.300 -0.000 0.000 0.966 234 D CA 0.482 54.485 54.000 0.004 0.000 0.876 234 D CB 0.142 40.945 40.800 0.005 0.000 0.927 234 D HN 0.262 nan 8.370 nan 0.000 0.519 235 E N 0.751 120.952 120.200 0.001 0.000 2.415 235 E HA -0.005 4.344 4.350 -0.002 0.000 0.263 235 E C -1.583 175.015 176.600 -0.003 0.000 0.995 235 E CA -1.229 55.171 56.400 -0.000 0.000 0.915 235 E CB 0.853 30.554 29.700 0.002 0.000 0.951 235 E HN 0.075 nan 8.360 nan 0.000 0.449 236 P HA -0.166 nan 4.420 nan 0.000 0.217 236 P C 0.635 177.930 177.300 -0.007 0.000 1.148 236 P CA 1.254 64.346 63.100 -0.013 0.000 0.828 236 P CB 0.348 32.039 31.700 -0.015 0.000 0.783 237 E N -1.077 119.125 120.200 0.003 0.000 2.268 237 E HA -0.079 4.270 4.350 -0.002 0.000 0.195 237 E C 1.990 178.610 176.600 0.035 0.000 0.995 237 E CA 0.940 57.351 56.400 0.019 0.000 0.836 237 E CB -0.655 29.058 29.700 0.021 0.000 0.763 237 E HN 0.198 nan 8.360 nan 0.000 0.491 238 S N 0.493 116.206 115.700 0.022 0.000 2.368 238 S HA -0.078 4.391 4.470 -0.002 0.000 0.224 238 S C 1.517 176.161 174.600 0.074 0.000 1.029 238 S CA 1.145 59.367 58.200 0.037 0.000 0.988 238 S CB 0.013 63.222 63.200 0.014 0.000 0.838 238 S HN 0.203 nan 8.310 nan 0.000 0.462 239 K N 0.171 120.567 120.400 -0.008 0.000 2.380 239 K HA 0.209 4.528 4.320 -0.002 0.000 0.198 239 K C 2.071 178.583 176.600 -0.145 0.000 1.070 239 K CA 0.402 56.605 56.287 -0.139 0.000 1.040 239 K CB 0.092 32.468 32.500 -0.207 0.000 0.903 239 K HN 0.319 nan 8.250 nan 0.000 0.549 240 G N 1.564 110.327 108.800 -0.061 0.000 2.479 240 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.220 240 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.220 240 G C 1.227 176.115 174.900 -0.020 0.000 1.115 240 G CA 1.110 46.184 45.100 -0.044 0.000 0.757 240 G HN 0.321 nan 8.290 nan 0.000 0.560 241 A N 0.172 123.001 122.820 0.014 0.000 2.538 241 A HA 0.437 4.756 4.320 -0.002 0.000 0.269 241 A C 1.934 179.529 177.584 0.019 0.000 1.231 241 A CA 0.238 52.313 52.037 0.064 0.000 0.948 241 A CB -0.107 19.013 19.000 0.201 0.000 1.110 241 A HN 0.513 nan 8.150 nan 0.000 0.529 242 I N -1.737 118.783 120.570 -0.083 0.000 2.454 242 I HA -0.157 4.012 4.170 -0.002 0.000 0.254 242 I C 2.121 178.305 176.117 0.112 0.000 1.156 242 I CA 1.965 63.210 61.300 -0.091 0.000 1.433 242 I CB -1.080 36.492 38.000 -0.713 0.000 1.082 242 I HN 0.231 nan 8.210 nan 0.000 0.432 243 T N -0.148 114.407 114.554 0.002 0.000 2.929 243 T HA -0.064 4.285 4.350 -0.002 0.000 0.271 243 T C 1.837 176.548 174.700 0.020 0.000 1.085 243 T CA 0.941 63.062 62.100 0.035 0.000 1.125 243 T CB -0.572 68.287 68.868 -0.014 0.000 0.874 243 T HN 0.325 nan 8.240 nan 0.000 0.494 244 I N 2.254 122.822 120.570 -0.003 0.000 2.361 244 I HA -0.008 4.161 4.170 -0.002 0.000 0.251 244 I C 2.991 179.030 176.117 -0.130 0.000 1.133 244 I CA 0.854 62.113 61.300 -0.068 0.000 1.413 244 I CB -1.805 36.120 38.000 -0.126 0.000 1.073 244 I HN 0.406 nan 8.210 nan 0.000 0.424 245 A N 0.197 122.944 122.820 -0.121 0.000 2.015 245 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 245 A C 2.407 179.788 177.584 -0.338 0.000 1.163 245 A CA 1.941 53.800 52.037 -0.296 0.000 0.646 245 A CB -0.741 17.964 19.000 -0.491 0.000 0.806 245 A HN 0.399 nan 8.150 nan 0.000 0.448 246 T N -0.676 113.751 114.554 -0.212 0.000 2.894 246 T HA -0.031 4.318 4.350 -0.002 0.000 0.258 246 T C 2.054 176.675 174.700 -0.131 0.000 1.043 246 T CA 0.997 62.986 62.100 -0.186 0.000 1.141 246 T CB -0.166 68.658 68.868 -0.073 0.000 0.873 246 T HN 0.482 nan 8.240 nan 0.000 0.449 247 R N 1.208 121.651 120.500 -0.094 0.000 2.091 247 R HA -0.046 4.293 4.340 -0.002 0.000 0.238 247 R C 1.823 178.065 176.300 -0.096 0.000 1.136 247 R CA 1.060 57.112 56.100 -0.080 0.000 0.959 247 R CB -0.096 30.169 30.300 -0.059 0.000 0.856 247 R HN 0.309 nan 8.270 nan 0.000 0.437 248 E N 0.665 120.797 120.200 -0.112 0.000 2.465 248 E HA 0.023 4.372 4.350 -0.002 0.000 0.191 248 E C -0.343 176.190 176.600 -0.112 0.000 1.053 248 E CA -0.006 56.336 56.400 -0.098 0.000 0.869 248 E CB 0.350 30.002 29.700 -0.080 0.000 0.977 248 E HN 0.201 nan 8.360 nan 0.000 0.483 249 K N 0.829 121.137 120.400 -0.153 0.000 3.278 249 K HA -0.177 4.142 4.320 -0.002 0.000 0.270 249 K C -0.185 176.299 176.600 -0.193 0.000 0.955 249 K CA 0.186 56.370 56.287 -0.171 0.000 0.723 249 K CB -1.717 30.715 32.500 -0.113 0.000 1.382 249 K HN 0.190 nan 8.250 nan 0.000 0.461 250 L N 2.142 123.201 121.223 -0.273 0.000 2.376 250 L HA 0.013 4.352 4.340 -0.002 0.000 0.250 250 L C 1.052 177.724 176.870 -0.330 0.000 1.335 250 L CA -0.146 54.525 54.840 -0.282 0.000 1.214 250 L CB -0.374 41.489 42.059 -0.328 0.000 1.395 250 L HN 0.301 nan 8.230 nan 0.000 0.424 251 D N -0.878 119.372 120.400 -0.250 0.000 2.338 251 D HA -0.122 4.517 4.640 -0.002 0.000 0.239 251 D C 1.027 177.200 176.300 -0.212 0.000 1.095 251 D CA 0.111 53.968 54.000 -0.239 0.000 0.888 251 D CB -0.111 40.583 40.800 -0.176 0.000 0.899 251 D HN 0.414 nan 8.370 nan 0.000 0.525 252 N N 0.153 118.725 118.700 -0.212 0.000 2.214 252 N HA 0.088 4.827 4.740 -0.002 0.000 0.214 252 N C -0.350 175.017 175.510 -0.238 0.000 1.132 252 N CA -0.470 52.465 53.050 -0.192 0.000 0.856 252 N CB 0.238 38.639 38.487 -0.144 0.000 1.020 252 N HN 0.222 nan 8.380 nan 0.000 0.509 253 L N 0.395 121.447 121.223 -0.286 0.000 2.362 253 L HA 0.634 4.973 4.340 -0.002 0.000 0.275 253 L C -1.383 175.319 176.870 -0.279 0.000 0.998 253 L CA -0.827 53.846 54.840 -0.278 0.000 0.820 253 L CB 2.148 44.023 42.059 -0.305 0.000 1.270 253 L HN -0.134 nan 8.230 nan 0.000 0.415 254 V N 5.431 125.235 119.914 -0.184 0.000 2.483 254 V HA 0.451 4.570 4.120 -0.002 0.000 0.297 254 V C -0.705 175.495 176.094 0.177 0.000 1.027 254 V CA -0.468 61.782 62.300 -0.083 0.000 0.855 254 V CB 1.411 33.147 31.823 -0.145 0.000 0.995 254 V HN 0.495 nan 8.190 nan 0.000 0.424 255 F N 3.844 123.780 119.950 -0.022 0.000 2.404 255 F HA 0.588 5.114 4.527 -0.001 0.000 0.345 255 F C 0.253 175.877 175.800 -0.293 0.000 1.110 255 F CA -1.051 56.888 58.000 -0.102 0.000 1.130 255 F CB 1.888 40.849 39.000 -0.066 0.000 1.129 255 F HN 0.173 nan 8.300 nan 0.000 0.500 256 V N 6.428 126.161 119.914 -0.301 0.000 2.325 256 V HA 0.344 4.463 4.120 -0.002 0.000 0.280 256 V C -0.018 175.875 176.094 -0.336 0.000 1.016 256 V CA -0.588 61.442 62.300 -0.450 0.000 0.818 256 V CB 1.058 32.343 31.823 -0.896 0.000 1.019 256 V HN 0.454 nan 8.190 nan 0.000 0.434 257 I N 3.958 124.367 120.570 -0.268 0.000 2.315 257 I HA 0.332 4.501 4.170 -0.002 0.000 0.291 257 I C 0.332 176.362 176.117 -0.146 0.000 1.006 257 I CA -0.377 60.803 61.300 -0.201 0.000 1.265 257 I CB 1.249 39.111 38.000 -0.230 0.000 1.387 257 I HN 0.467 nan 8.210 nan 0.000 0.475 258 N N 6.565 125.222 118.700 -0.072 0.000 2.415 258 N HA 0.094 4.833 4.740 -0.002 0.000 0.250 258 N C -0.774 174.713 175.510 -0.039 0.000 1.127 258 N CA -0.293 52.731 53.050 -0.042 0.000 0.945 258 N CB 0.372 38.876 38.487 0.028 0.000 1.196 258 N HN 0.536 nan 8.380 nan 0.000 0.499 259 C N 4.230 123.491 119.300 -0.066 0.000 2.183 259 C HA 0.196 4.655 4.460 -0.002 0.000 0.409 259 C C 1.277 176.282 174.990 0.025 0.000 1.022 259 C CA -0.909 58.087 59.018 -0.036 0.000 1.367 259 C CB -1.886 25.799 27.740 -0.092 0.000 1.650 259 C HN 0.701 nan 8.230 nan 0.000 0.499 260 N N 1.344 120.067 118.700 0.038 0.000 2.322 260 N HA 0.086 4.825 4.740 -0.002 0.000 0.194 260 N C 0.844 176.404 175.510 0.084 0.000 1.126 260 N CA -0.179 52.907 53.050 0.060 0.000 0.845 260 N CB -0.410 38.122 38.487 0.075 0.000 0.976 260 N HN 0.675 nan 8.380 nan 0.000 0.475 261 L N -2.754 118.516 121.223 0.078 0.000 5.051 261 L HA -0.323 4.016 4.340 -0.002 0.000 0.432 261 L C -0.719 176.195 176.870 0.074 0.000 1.055 261 L CA 1.193 56.082 54.840 0.083 0.000 1.095 261 L CB -1.849 40.282 42.059 0.120 0.000 1.957 261 L HN 0.383 nan 8.230 nan 0.000 0.727 262 Q N -0.210 119.635 119.800 0.074 0.000 2.377 262 Q HA 0.659 4.998 4.340 -0.002 0.000 0.271 262 Q C 0.019 176.060 176.000 0.068 0.000 1.077 262 Q CA -0.912 54.934 55.803 0.071 0.000 0.820 262 Q CB 2.140 30.927 28.738 0.081 0.000 1.347 262 Q HN 0.215 nan 8.270 nan 0.000 0.444 263 R N 0.516 121.050 120.500 0.057 0.000 2.515 263 R HA 0.323 4.662 4.340 -0.002 0.000 0.209 263 R C 1.034 177.367 176.300 0.055 0.000 1.255 263 R CA -0.793 55.337 56.100 0.051 0.000 1.006 263 R CB -0.219 30.101 30.300 0.034 0.000 1.839 263 R HN 0.408 nan 8.270 nan 0.000 0.514 264 L N 0.718 121.964 121.223 0.038 0.000 1.948 264 L HA -0.175 4.164 4.340 -0.002 0.000 0.212 264 L C 0.898 177.796 176.870 0.047 0.000 1.074 264 L CA 2.109 56.974 54.840 0.043 0.000 0.753 264 L CB -0.302 41.773 42.059 0.026 0.000 0.888 264 L HN 0.541 nan 8.230 nan 0.000 0.432 265 D N -0.371 120.050 120.400 0.036 0.000 2.358 265 D HA 0.386 5.025 4.640 -0.002 0.000 0.224 265 D C 0.248 176.567 176.300 0.032 0.000 1.123 265 D CA 0.733 54.753 54.000 0.033 0.000 0.833 265 D CB 0.524 41.339 40.800 0.026 0.000 0.946 265 D HN 0.461 nan 8.370 nan 0.000 0.505 266 G N 0.256 109.078 108.800 0.036 0.000 2.324 266 G HA2 0.214 4.173 3.960 -0.002 0.000 0.293 266 G HA3 0.214 4.173 3.960 -0.002 0.000 0.293 266 G C -3.095 171.828 174.900 0.039 0.000 1.297 266 G CA -1.042 44.078 45.100 0.034 0.000 0.853 266 G HN -0.221 nan 8.290 nan 0.000 0.535 267 P HA 0.291 nan 4.420 nan 0.000 0.274 267 P C 1.224 178.547 177.300 0.038 0.000 1.237 267 P CA -0.214 62.913 63.100 0.045 0.000 0.793 267 P CB 1.563 33.290 31.700 0.045 0.000 0.977 268 V N 1.156 121.095 119.914 0.040 0.000 2.261 268 V HA -0.125 3.994 4.120 -0.002 0.000 0.246 268 V C 1.434 177.545 176.094 0.027 0.000 1.047 268 V CA 2.732 65.051 62.300 0.032 0.000 1.015 268 V CB -1.434 30.408 31.823 0.031 0.000 0.642 268 V HN 0.852 nan 8.190 nan 0.000 0.446 269 T N -2.738 111.834 114.554 0.031 0.000 3.135 269 T HA 0.500 4.849 4.350 -0.002 0.000 0.357 269 T C 0.825 175.543 174.700 0.031 0.000 1.112 269 T CA 0.126 62.241 62.100 0.026 0.000 1.290 269 T CB 0.827 69.709 68.868 0.022 0.000 1.018 269 T HN 0.289 nan 8.240 nan 0.000 0.527 270 G N 2.520 111.337 108.800 0.027 0.000 2.442 270 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.219 270 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.219 270 G C 1.303 176.214 174.900 0.019 0.000 1.141 270 G CA 0.305 45.420 45.100 0.026 0.000 0.763 270 G HN 0.617 nan 8.290 nan 0.000 0.554 271 N N 0.966 119.673 118.700 0.013 0.000 2.461 271 N HA 0.134 4.873 4.740 -0.002 0.000 0.188 271 N C 1.014 176.529 175.510 0.009 0.000 1.134 271 N CA 0.693 53.747 53.050 0.007 0.000 0.878 271 N CB 0.634 39.124 38.487 0.005 0.000 0.972 271 N HN 0.378 nan 8.380 nan 0.000 0.456 272 G N -0.336 108.474 108.800 0.017 0.000 3.262 272 G HA2 0.546 4.504 3.960 -0.002 0.000 0.229 272 G HA3 0.546 4.504 3.960 -0.002 0.000 0.229 272 G C -1.065 173.849 174.900 0.024 0.000 1.280 272 G CA -0.506 44.602 45.100 0.015 0.000 0.951 272 G HN -0.054 nan 8.290 nan 0.000 0.589 273 K N 0.408 120.820 120.400 0.019 0.000 2.621 273 K HA 0.266 4.585 4.320 -0.002 0.000 0.233 273 K C 0.346 176.971 176.600 0.042 0.000 0.972 273 K CA -0.610 55.694 56.287 0.028 0.000 0.988 273 K CB 2.128 34.612 32.500 -0.026 0.000 1.187 273 K HN 0.265 nan 8.250 nan 0.000 0.471 274 I N 2.845 123.442 120.570 0.044 0.000 2.335 274 I HA -0.231 3.938 4.170 -0.002 0.000 0.251 274 I C 1.454 177.580 176.117 0.015 0.000 1.129 274 I CA 1.534 62.851 61.300 0.027 0.000 1.402 274 I CB 0.015 38.029 38.000 0.024 0.000 1.069 274 I HN 0.643 nan 8.210 nan 0.000 0.424 275 I N 0.299 120.881 120.570 0.021 0.000 2.252 275 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 275 I C 1.992 178.114 176.117 0.009 0.000 1.102 275 I CA 1.084 62.367 61.300 -0.029 0.000 1.385 275 I CB -0.601 37.332 38.000 -0.111 0.000 1.064 275 I HN 0.264 nan 8.210 nan 0.000 0.414 276 N N 0.647 119.391 118.700 0.074 0.000 2.188 276 N HA -0.213 4.526 4.740 -0.002 0.000 0.184 276 N C 1.718 177.248 175.510 0.033 0.000 1.018 276 N CA 1.089 54.175 53.050 0.060 0.000 0.858 276 N CB -0.280 38.247 38.487 0.067 0.000 0.989 276 N HN 0.426 nan 8.380 nan 0.000 0.426 277 E N 0.742 120.959 120.200 0.028 0.000 2.051 277 E HA -0.132 4.217 4.350 -0.002 0.000 0.192 277 E C 1.836 178.460 176.600 0.040 0.000 0.991 277 E CA 0.824 57.239 56.400 0.025 0.000 0.799 277 E CB -0.073 29.640 29.700 0.021 0.000 0.748 277 E HN 0.265 nan 8.360 nan 0.000 0.449 278 L N 0.697 121.946 121.223 0.044 0.000 2.017 278 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 278 L C 2.818 179.758 176.870 0.116 0.000 1.073 278 L CA 1.702 56.601 54.840 0.099 0.000 0.745 278 L CB -0.555 41.497 42.059 -0.011 0.000 0.894 278 L HN 0.302 nan 8.230 nan 0.000 0.432 279 E N 0.419 120.632 120.200 0.020 0.000 2.058 279 E HA -0.203 4.146 4.350 -0.002 0.000 0.194 279 E C 2.178 178.809 176.600 0.053 0.000 0.997 279 E CA 1.355 57.764 56.400 0.015 0.000 0.801 279 E CB -0.245 29.444 29.700 -0.019 0.000 0.746 279 E HN 0.419 nan 8.360 nan 0.000 0.450 280 G N 1.624 110.447 108.800 0.038 0.000 2.446 280 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.217 280 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.217 280 G C 1.635 176.542 174.900 0.012 0.000 1.168 280 G CA 0.939 46.053 45.100 0.023 0.000 0.771 280 G HN 0.412 nan 8.290 nan 0.000 0.551 281 I N -1.202 119.371 120.570 0.005 0.000 2.406 281 I HA 0.050 4.219 4.170 -0.002 0.000 0.249 281 I C 2.340 178.363 176.117 -0.156 0.000 1.122 281 I CA 0.699 61.950 61.300 -0.081 0.000 1.431 281 I CB 0.036 37.959 38.000 -0.129 0.000 1.087 281 I HN 0.144 nan 8.210 nan 0.000 0.424 282 F N 1.288 121.123 119.950 -0.192 0.000 2.186 282 F HA -0.199 4.327 4.527 -0.002 0.000 0.299 282 F C 2.479 178.220 175.800 -0.098 0.000 1.090 282 F CA 1.675 59.500 58.000 -0.293 0.000 1.307 282 F CB -0.406 38.373 39.000 -0.368 0.000 1.019 282 F HN 0.098 nan 8.300 nan 0.000 0.489 283 E N 0.208 120.485 120.200 0.128 0.000 2.077 283 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 283 E C 2.489 179.121 176.600 0.053 0.000 0.989 283 E CA 1.473 57.930 56.400 0.095 0.000 0.800 283 E CB -0.822 28.910 29.700 0.055 0.000 0.746 283 E HN 0.268 nan 8.360 nan 0.000 0.452 284 G N -0.004 108.802 108.800 0.010 0.000 2.432 284 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.219 284 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.219 284 G C 1.485 176.374 174.900 -0.018 0.000 1.135 284 G CA 0.763 45.855 45.100 -0.015 0.000 0.767 284 G HN 0.417 nan 8.290 nan 0.000 0.550 285 A N -0.423 122.376 122.820 -0.036 0.000 2.238 285 A HA 0.477 4.796 4.320 -0.002 0.000 0.208 285 A C 1.971 179.644 177.584 0.148 0.000 1.177 285 A CA 1.220 53.252 52.037 -0.008 0.000 0.804 285 A CB -0.449 18.444 19.000 -0.178 0.000 0.823 285 A HN 1.571 nan 8.150 nan 0.000 0.482 286 G N -2.725 106.159 108.800 0.141 0.000 2.157 286 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.239 286 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.239 286 G C -0.119 174.875 174.900 0.156 0.000 0.982 286 G CA 0.041 45.210 45.100 0.115 0.000 0.650 286 G HN 0.365 nan 8.290 nan 0.000 0.527 287 W N 1.151 122.425 121.300 -0.043 0.000 2.184 287 W HA 0.490 5.149 4.660 -0.001 0.000 0.338 287 W C 0.822 177.313 176.519 -0.046 0.000 1.257 287 W CA -0.715 56.609 57.345 -0.035 0.000 1.243 287 W CB 0.351 29.854 29.460 0.071 0.000 1.122 287 W HN 0.159 nan 8.180 nan 0.000 0.585 288 N N 1.481 120.234 118.700 0.090 0.000 2.411 288 N HA 0.226 4.965 4.740 -0.002 0.000 0.259 288 N C -1.403 174.132 175.510 0.043 0.000 1.103 288 N CA -0.142 52.924 53.050 0.026 0.000 0.954 288 N CB 0.588 39.038 38.487 -0.062 0.000 1.085 288 N HN 0.115 nan 8.380 nan 0.000 0.485 289 V N 5.838 125.761 119.914 0.014 0.000 2.398 289 V HA 0.430 4.549 4.120 -0.002 0.000 0.286 289 V C 0.239 176.274 176.094 -0.099 0.000 1.026 289 V CA -0.592 61.680 62.300 -0.046 0.000 0.868 289 V CB 1.239 33.042 31.823 -0.034 0.000 0.982 289 V HN 0.551 nan 8.190 nan 0.000 0.443 290 I N 4.876 125.352 120.570 -0.156 0.000 2.410 290 I HA 0.434 4.603 4.170 -0.002 0.000 0.286 290 I C -0.165 175.823 176.117 -0.215 0.000 1.009 290 I CA -0.623 60.573 61.300 -0.174 0.000 1.111 290 I CB 1.677 39.555 38.000 -0.203 0.000 1.262 290 I HN 0.489 nan 8.210 nan 0.000 0.443 291 K N 5.272 125.548 120.400 -0.206 0.000 2.211 291 K HA 0.488 4.807 4.320 -0.002 0.000 0.275 291 K C -0.732 175.705 176.600 -0.272 0.000 1.024 291 K CA -0.488 55.638 56.287 -0.269 0.000 0.887 291 K CB 2.044 34.369 32.500 -0.292 0.000 1.084 291 K HN 0.305 nan 8.250 nan 0.000 0.463 292 V N 5.852 125.589 119.914 -0.296 0.000 2.240 292 V HA 0.070 4.189 4.120 -0.002 0.000 0.265 292 V C 0.588 176.461 176.094 -0.369 0.000 1.073 292 V CA -0.313 61.836 62.300 -0.253 0.000 0.857 292 V CB 0.661 32.373 31.823 -0.185 0.000 1.114 292 V HN 0.836 nan 8.190 nan 0.000 0.469 293 M N 1.644 120.927 119.600 -0.528 0.000 2.412 293 M HA 0.225 4.704 4.480 -0.002 0.000 0.263 293 M C 0.246 175.904 176.300 -1.070 0.000 1.122 293 M CA 1.124 55.807 55.300 -1.028 0.000 1.179 293 M CB -0.080 31.646 32.600 -1.458 0.000 1.335 293 M HN 0.516 nan 8.290 nan 0.000 0.465 294 W N -0.347 120.829 121.300 -0.207 0.000 2.936 294 W HA 0.634 5.293 4.660 -0.002 0.000 0.338 294 W C 0.516 177.047 176.519 0.020 0.000 1.121 294 W CA -1.264 55.942 57.345 -0.232 0.000 1.209 294 W CB 0.659 29.748 29.460 -0.618 0.000 1.420 294 W HN 0.089 nan 8.180 nan 0.000 0.516 295 G N 0.238 109.330 108.800 0.486 0.000 2.653 295 G HA2 0.214 4.173 3.960 -0.002 0.000 0.265 295 G HA3 0.214 4.173 3.960 -0.002 0.000 0.265 295 G C 0.660 175.816 174.900 0.428 0.000 1.237 295 G CA -0.403 44.934 45.100 0.394 0.000 0.946 295 G HN 0.528 nan 8.290 nan 0.000 0.522 296 S N -0.396 115.470 115.700 0.277 0.000 2.400 296 S HA -0.129 4.340 4.470 -0.002 0.000 0.232 296 S C 2.324 177.074 174.600 0.251 0.000 1.025 296 S CA 0.980 59.317 58.200 0.230 0.000 0.993 296 S CB -0.172 63.112 63.200 0.141 0.000 0.808 296 S HN 0.569 nan 8.310 nan 0.000 0.478 297 R N -0.310 120.338 120.500 0.246 0.000 2.241 297 R HA -0.084 4.255 4.340 -0.002 0.000 0.224 297 R C 1.371 177.799 176.300 0.214 0.000 1.101 297 R CA 1.097 57.303 56.100 0.175 0.000 0.995 297 R CB -0.271 30.083 30.300 0.090 0.000 0.870 297 R HN 0.516 nan 8.270 nan 0.000 0.463 298 W N 0.893 122.308 121.300 0.192 0.000 2.770 298 W HA 0.025 4.684 4.660 -0.002 0.000 0.256 298 W C 1.421 178.015 176.519 0.125 0.000 1.291 298 W CA 0.020 57.447 57.345 0.136 0.000 1.396 298 W CB 0.103 29.595 29.460 0.053 0.000 1.114 298 W HN 0.001 nan 8.180 nan 0.000 0.637 299 D N 0.486 121.095 120.400 0.348 0.000 2.123 299 D HA -0.200 4.439 4.640 -0.002 0.000 0.196 299 D C 1.712 178.131 176.300 0.198 0.000 0.992 299 D CA 1.519 55.664 54.000 0.242 0.000 0.833 299 D CB -0.282 40.633 40.800 0.192 0.000 0.954 299 D HN 0.180 nan 8.370 nan 0.000 0.455 300 E N 0.065 120.384 120.200 0.197 0.000 2.107 300 E HA -0.079 4.270 4.350 -0.002 0.000 0.191 300 E C 1.908 178.619 176.600 0.186 0.000 0.982 300 E CA 0.130 56.632 56.400 0.170 0.000 0.809 300 E CB -0.211 29.586 29.700 0.160 0.000 0.756 300 E HN 0.041 nan 8.360 nan 0.000 0.459 301 L N 0.083 121.440 121.223 0.224 0.000 2.046 301 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 301 L C 2.021 178.983 176.870 0.153 0.000 1.077 301 L CA 1.546 56.484 54.840 0.164 0.000 0.747 301 L CB -0.527 41.585 42.059 0.088 0.000 0.896 301 L HN 0.235 nan 8.230 nan 0.000 0.432 302 L N -0.792 120.543 121.223 0.187 0.000 2.109 302 L HA -0.170 4.169 4.340 -0.002 0.000 0.207 302 L C 2.643 179.580 176.870 0.112 0.000 1.086 302 L CA 1.426 56.356 54.840 0.150 0.000 0.760 302 L CB -0.468 41.686 42.059 0.158 0.000 0.910 302 L HN 0.342 nan 8.230 nan 0.000 0.437 303 R N 0.531 121.098 120.500 0.112 0.000 2.235 303 R HA -0.149 4.190 4.340 -0.002 0.000 0.213 303 R C 2.072 178.417 176.300 0.075 0.000 1.059 303 R CA 1.158 57.310 56.100 0.087 0.000 0.997 303 R CB -0.212 30.139 30.300 0.085 0.000 0.884 303 R HN 0.202 nan 8.270 nan 0.000 0.462 304 K N 0.956 121.405 120.400 0.083 0.000 2.361 304 K HA -0.072 4.247 4.320 -0.002 0.000 0.196 304 K C -0.318 176.314 176.600 0.054 0.000 1.039 304 K CA 0.599 56.928 56.287 0.069 0.000 1.001 304 K CB 0.149 32.699 32.500 0.083 0.000 0.795 304 K HN 0.104 nan 8.250 nan 0.000 0.495 305 D N 1.155 121.590 120.400 0.057 0.000 2.551 305 D HA -0.025 4.614 4.640 -0.002 0.000 0.223 305 D C 0.945 177.264 176.300 0.031 0.000 1.144 305 D CA 0.015 54.041 54.000 0.043 0.000 1.025 305 D CB 0.775 41.608 40.800 0.054 0.000 1.085 305 D HN 0.221 nan 8.370 nan 0.000 0.506 306 T N -1.301 113.267 114.554 0.024 0.000 3.007 306 T HA -0.175 4.174 4.350 -0.002 0.000 0.270 306 T C 1.883 176.586 174.700 0.004 0.000 1.107 306 T CA 1.043 63.153 62.100 0.017 0.000 1.118 306 T CB -0.184 68.693 68.868 0.015 0.000 0.889 306 T HN 0.236 nan 8.240 nan 0.000 0.506 307 S N 0.686 116.383 115.700 -0.004 0.000 2.446 307 S HA 0.349 4.818 4.470 -0.002 0.000 0.225 307 S C 2.111 176.690 174.600 -0.035 0.000 1.016 307 S CA 0.581 58.767 58.200 -0.024 0.000 0.943 307 S CB -0.883 62.296 63.200 -0.035 0.000 0.786 307 S HN 1.301 nan 8.310 nan 0.000 0.508 308 G N 1.452 110.240 108.800 -0.020 0.000 2.148 308 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.254 308 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.254 308 G C 0.886 175.753 174.900 -0.055 0.000 0.981 308 G CA 0.498 45.585 45.100 -0.021 0.000 0.670 308 G HN 0.423 nan 8.290 nan 0.000 0.528 309 K N -0.575 119.775 120.400 -0.084 0.000 2.228 309 K HA 0.214 4.533 4.320 -0.002 0.000 0.202 309 K C 2.426 178.981 176.600 -0.075 0.000 1.051 309 K CA 1.099 57.287 56.287 -0.164 0.000 0.960 309 K CB -0.276 32.091 32.500 -0.222 0.000 0.743 309 K HN 0.487 nan 8.250 nan 0.000 0.458 310 L N 1.534 122.752 121.223 -0.008 0.000 2.017 310 L HA -0.123 4.215 4.340 -0.002 0.000 0.208 310 L C 1.896 178.788 176.870 0.037 0.000 1.073 310 L CA 1.483 56.339 54.840 0.026 0.000 0.745 310 L CB -0.509 41.605 42.059 0.091 0.000 0.894 310 L HN -0.025 nan 8.230 nan 0.000 0.432 311 I N -0.297 120.302 120.570 0.047 0.000 2.226 311 I HA -0.312 3.857 4.170 -0.002 0.000 0.245 311 I C 2.577 178.741 176.117 0.078 0.000 1.100 311 I CA 1.528 62.877 61.300 0.083 0.000 1.374 311 I CB -1.342 36.699 38.000 0.067 0.000 1.057 311 I HN 0.555 nan 8.210 nan 0.000 0.413 312 Q N 0.403 120.212 119.800 0.014 0.000 2.084 312 Q HA -0.237 4.102 4.340 -0.002 0.000 0.202 312 Q C 2.337 178.363 176.000 0.043 0.000 0.978 312 Q CA 1.545 57.345 55.803 -0.005 0.000 0.844 312 Q CB -0.110 28.560 28.738 -0.114 0.000 0.898 312 Q HN 0.380 nan 8.270 nan 0.000 0.426 313 L N 0.315 121.561 121.223 0.038 0.000 2.046 313 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 313 L C 2.135 179.058 176.870 0.088 0.000 1.077 313 L CA 1.807 56.664 54.840 0.029 0.000 0.747 313 L CB -0.364 41.580 42.059 -0.192 0.000 0.896 313 L HN 0.321 nan 8.230 nan 0.000 0.432 314 M N -0.634 119.086 119.600 0.200 0.000 2.117 314 M HA -0.187 4.292 4.480 -0.002 0.000 0.262 314 M C 1.939 178.434 176.300 0.325 0.000 1.065 314 M CA 1.596 57.182 55.300 0.476 0.000 1.114 314 M CB -0.566 32.333 32.600 0.499 0.000 1.361 314 M HN 0.323 nan 8.290 nan 0.000 0.408 315 N N 0.820 119.634 118.700 0.189 0.000 2.106 315 N HA -0.172 4.567 4.740 -0.002 0.000 0.188 315 N C 1.509 177.016 175.510 -0.004 0.000 1.029 315 N CA 1.717 54.808 53.050 0.067 0.000 0.848 315 N CB -0.487 38.051 38.487 0.085 0.000 1.007 315 N HN 0.595 nan 8.380 nan 0.000 0.423 316 E N -0.086 120.138 120.200 0.040 0.000 2.274 316 E HA -0.010 4.339 4.350 -0.002 0.000 0.194 316 E C -0.041 176.562 176.600 0.005 0.000 0.996 316 E CA 0.471 56.887 56.400 0.025 0.000 0.840 316 E CB -0.319 29.416 29.700 0.057 0.000 0.772 316 E HN -0.031 nan 8.360 nan 0.000 0.491 317 T N 1.761 116.320 114.554 0.008 0.000 2.901 317 T HA 0.213 4.562 4.350 -0.002 0.000 0.301 317 T C -0.233 174.414 174.700 -0.088 0.000 1.012 317 T CA -0.384 61.662 62.100 -0.089 0.000 1.135 317 T CB 1.944 70.642 68.868 -0.282 0.000 0.936 317 T HN -0.003 nan 8.240 nan 0.000 0.539 318 V N 2.444 122.310 119.914 -0.079 0.000 2.966 318 V HA 0.170 4.289 4.120 -0.002 0.000 0.317 318 V C 0.950 177.108 176.094 0.106 0.000 1.070 318 V CA -0.450 61.855 62.300 0.009 0.000 1.008 318 V CB 1.718 33.537 31.823 -0.007 0.000 1.070 318 V HN 0.879 nan 8.190 nan 0.000 0.457 319 D N 3.063 123.558 120.400 0.158 0.000 2.154 319 D HA -0.167 4.472 4.640 -0.002 0.000 0.190 319 D C 1.902 178.281 176.300 0.132 0.000 1.003 319 D CA 1.998 56.121 54.000 0.205 0.000 0.849 319 D CB -0.552 40.322 40.800 0.123 0.000 0.942 319 D HN 0.776 nan 8.370 nan 0.000 0.446 320 G N 0.721 109.546 108.800 0.041 0.000 2.476 320 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.218 320 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.218 320 G C 1.355 176.191 174.900 -0.107 0.000 1.164 320 G CA 1.113 46.203 45.100 -0.016 0.000 0.768 320 G HN 0.191 nan 8.290 nan 0.000 0.560 321 D N -0.424 119.864 120.400 -0.186 0.000 2.144 321 D HA -0.060 4.579 4.640 -0.002 0.000 0.200 321 D C 2.119 177.948 176.300 -0.784 0.000 0.978 321 D CA 0.637 54.330 54.000 -0.512 0.000 0.833 321 D CB -0.210 40.334 40.800 -0.427 0.000 0.961 321 D HN 0.365 nan 8.370 nan 0.000 0.470 322 Y N 1.464 121.669 120.300 -0.158 0.000 2.224 322 Y HA -0.125 4.424 4.550 -0.002 0.000 0.289 322 Y C 2.543 178.476 175.900 0.055 0.000 1.146 322 Y CA 0.887 59.072 58.100 0.142 0.000 1.182 322 Y CB -0.155 38.471 38.460 0.277 0.000 0.983 322 Y HN -0.046 nan 8.280 nan 0.000 0.524 323 Q N -0.710 119.169 119.800 0.132 0.000 2.172 323 Q HA -0.116 4.223 4.340 -0.002 0.000 0.200 323 Q C 2.358 178.358 176.000 0.002 0.000 0.964 323 Q CA 1.831 57.686 55.803 0.086 0.000 0.855 323 Q CB -0.830 27.948 28.738 0.066 0.000 0.918 323 Q HN 0.648 nan 8.270 nan 0.000 0.444 324 T N -1.602 112.855 114.554 -0.161 0.000 2.812 324 T HA -0.085 4.264 4.350 -0.002 0.000 0.264 324 T C 1.712 176.338 174.700 -0.123 0.000 1.042 324 T CA 0.782 62.759 62.100 -0.206 0.000 1.140 324 T CB -0.433 68.242 68.868 -0.321 0.000 0.870 324 T HN 0.007 nan 8.240 nan 0.000 0.445 325 F N 2.310 122.303 119.950 0.072 0.000 2.126 325 F HA 0.141 4.667 4.527 -0.002 0.000 0.299 325 F C 2.529 178.457 175.800 0.215 0.000 1.096 325 F CA 0.615 58.702 58.000 0.144 0.000 1.255 325 F CB -0.813 38.300 39.000 0.188 0.000 0.997 325 F HN 0.181 nan 8.300 nan 0.000 0.479 326 K N 0.562 121.163 120.400 0.335 0.000 2.218 326 K HA -0.195 4.124 4.320 -0.002 0.000 0.205 326 K C 2.064 178.856 176.600 0.319 0.000 1.046 326 K CA 1.651 58.085 56.287 0.245 0.000 0.933 326 K CB -0.168 32.429 32.500 0.163 0.000 0.728 326 K HN 0.404 nan 8.250 nan 0.000 0.454 327 S N -0.529 115.302 115.700 0.218 0.000 2.470 327 S HA 0.060 4.529 4.470 -0.002 0.000 0.222 327 S C 1.104 175.763 174.600 0.099 0.000 1.024 327 S CA -0.318 57.968 58.200 0.144 0.000 0.931 327 S CB 0.127 63.343 63.200 0.025 0.000 0.791 327 S HN 0.090 nan 8.310 nan 0.000 0.513 328 K N 2.290 122.717 120.400 0.045 0.000 2.822 328 K HA 0.301 4.620 4.320 -0.002 0.000 0.237 328 K C 0.069 176.510 176.600 -0.266 0.000 1.128 328 K CA 0.781 56.970 56.287 -0.163 0.000 1.317 328 K CB -0.668 31.523 32.500 -0.515 0.000 1.759 328 K HN 0.675 nan 8.250 nan 0.000 0.520 329 D N -4.078 116.112 120.400 -0.349 0.000 2.643 329 D HA 0.273 4.912 4.640 -0.002 0.000 0.283 329 D C 0.765 176.861 176.300 -0.339 0.000 1.242 329 D CA -0.512 52.930 54.000 -0.930 0.000 0.863 329 D CB 0.412 40.934 40.800 -0.464 0.000 1.382 329 D HN 0.268 nan 8.370 nan 0.000 0.444 330 G N -0.669 107.945 108.800 -0.310 0.000 2.479 330 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.220 330 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.220 330 G C 1.225 176.257 174.900 0.221 0.000 1.115 330 G CA 1.012 46.268 45.100 0.259 0.000 0.757 330 G HN 0.643 nan 8.290 nan 0.000 0.560 331 A N -0.079 122.818 122.820 0.128 0.000 1.878 331 A HA 0.116 4.435 4.320 -0.002 0.000 0.213 331 A C 2.145 179.868 177.584 0.231 0.000 1.192 331 A CA 1.321 53.444 52.037 0.143 0.000 0.619 331 A CB -0.623 18.431 19.000 0.089 0.000 0.837 331 A HN 0.362 nan 8.150 nan 0.000 0.446 332 Y N 0.683 121.081 120.300 0.164 0.000 2.256 332 Y HA -0.166 4.383 4.550 -0.002 0.000 0.288 332 Y C 2.224 178.350 175.900 0.377 0.000 1.155 332 Y CA 1.636 59.916 58.100 0.299 0.000 1.203 332 Y CB -0.169 38.409 38.460 0.197 0.000 0.980 332 Y HN 0.074 nan 8.280 nan 0.000 0.530 333 V N 1.338 121.571 119.914 0.532 0.000 2.283 333 V HA -0.282 3.836 4.120 -0.002 0.000 0.243 333 V C 2.422 178.727 176.094 0.352 0.000 1.039 333 V CA 2.255 64.795 62.300 0.400 0.000 1.016 333 V CB -0.642 31.446 31.823 0.442 0.000 0.650 333 V HN 0.488 nan 8.190 nan 0.000 0.449 334 R N 0.180 120.892 120.500 0.354 0.000 2.241 334 R HA -0.123 4.216 4.340 -0.002 0.000 0.224 334 R C 1.968 178.359 176.300 0.153 0.000 1.101 334 R CA 1.550 57.837 56.100 0.310 0.000 0.995 334 R CB -0.267 30.112 30.300 0.132 0.000 0.870 334 R HN 0.439 nan 8.270 nan 0.000 0.463 335 E N 1.004 121.251 120.200 0.077 0.000 2.045 335 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 335 E C 1.211 177.644 176.600 -0.278 0.000 0.968 335 E CA 1.170 57.486 56.400 -0.139 0.000 0.813 335 E CB -0.047 29.510 29.700 -0.239 0.000 0.780 335 E HN 0.570 nan 8.360 nan 0.000 0.455 336 H N -1.598 117.401 119.070 -0.118 0.000 2.548 336 H HA 0.103 4.658 4.556 -0.002 0.000 0.265 336 H C 0.886 176.232 175.328 0.030 0.000 0.969 336 H CA 0.536 56.560 56.048 -0.040 0.000 1.155 336 H CB 0.250 30.013 29.762 0.000 0.000 1.394 336 H HN 0.108 nan 8.280 nan 0.000 0.570 337 F N -1.131 118.698 119.950 -0.202 0.000 2.373 337 F HA 0.127 4.653 4.527 -0.002 0.000 0.253 337 F C 1.271 176.904 175.800 -0.278 0.000 0.954 337 F CA -0.115 57.637 58.000 -0.413 0.000 1.136 337 F CB -0.586 37.894 39.000 -0.866 0.000 1.342 337 F HN -0.089 nan 8.300 nan 0.000 0.701 338 F N 1.318 121.204 119.950 -0.107 0.000 2.202 338 F HA 0.018 4.544 4.527 -0.002 0.000 0.301 338 F C 2.507 178.196 175.800 -0.185 0.000 1.082 338 F CA 1.514 59.404 58.000 -0.183 0.000 1.313 338 F CB -1.244 37.710 39.000 -0.077 0.000 1.024 338 F HN 0.180 nan 8.300 nan 0.000 0.495 339 G N -0.942 107.866 108.800 0.013 0.000 3.061 339 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.208 339 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.208 339 G C 1.562 176.354 174.900 -0.180 0.000 1.175 339 G CA -0.023 45.033 45.100 -0.074 0.000 0.812 339 G HN 0.280 nan 8.290 nan 0.000 0.523 340 K N -0.838 119.388 120.400 -0.291 0.000 2.228 340 K HA 0.091 4.410 4.320 -0.002 0.000 0.202 340 K C -0.421 175.747 176.600 -0.720 0.000 1.051 340 K CA 0.517 56.484 56.287 -0.534 0.000 0.960 340 K CB 0.060 32.139 32.500 -0.702 0.000 0.743 340 K HN 0.312 nan 8.250 nan 0.000 0.458 341 Y N -1.310 118.932 120.300 -0.096 0.000 2.512 341 Y HA 0.259 4.808 4.550 -0.002 0.000 0.348 341 Y C -2.093 173.777 175.900 -0.051 0.000 0.990 341 Y CA -2.781 55.277 58.100 -0.070 0.000 1.033 341 Y CB 1.776 40.190 38.460 -0.077 0.000 1.259 341 Y HN -0.139 nan 8.280 nan 0.000 0.461 342 P HA -0.103 nan 4.420 nan 0.000 0.217 342 P C 0.675 178.005 177.300 0.050 0.000 1.150 342 P CA 1.635 64.769 63.100 0.057 0.000 0.832 342 P CB 0.494 32.220 31.700 0.043 0.000 0.787 343 E N -0.991 119.245 120.200 0.061 0.000 2.106 343 E HA -0.136 4.213 4.350 -0.002 0.000 0.192 343 E C 1.972 178.595 176.600 0.039 0.000 0.984 343 E CA 1.923 58.342 56.400 0.031 0.000 0.806 343 E CB -1.027 28.676 29.700 0.005 0.000 0.750 343 E HN 0.392 nan 8.360 nan 0.000 0.458 344 T N -1.631 112.973 114.554 0.083 0.000 2.942 344 T HA 0.102 4.451 4.350 -0.002 0.000 0.265 344 T C 2.061 176.821 174.700 0.099 0.000 1.062 344 T CA 0.705 62.874 62.100 0.116 0.000 1.139 344 T CB -0.151 68.795 68.868 0.129 0.000 0.883 344 T HN 0.137 nan 8.240 nan 0.000 0.468 345 A N 1.475 124.330 122.820 0.058 0.000 2.015 345 A HA 0.506 4.825 4.320 -0.002 0.000 0.219 345 A C 2.628 180.176 177.584 -0.062 0.000 1.163 345 A CA 1.334 53.372 52.037 0.003 0.000 0.646 345 A CB -1.044 17.956 19.000 0.001 0.000 0.806 345 A HN 0.707 nan 8.150 nan 0.000 0.448 346 A N -0.445 122.353 122.820 -0.037 0.000 2.067 346 A HA 0.200 4.519 4.320 -0.002 0.000 0.217 346 A C 1.970 179.511 177.584 -0.073 0.000 1.156 346 A CA 0.840 52.852 52.037 -0.041 0.000 0.683 346 A CB -0.412 18.581 19.000 -0.012 0.000 0.808 346 A HN 0.449 nan 8.150 nan 0.000 0.455 347 L N -0.250 120.903 121.223 -0.118 0.000 2.141 347 L HA -0.086 4.253 4.340 -0.002 0.000 0.209 347 L C 1.835 178.452 176.870 -0.421 0.000 1.094 347 L CA 1.276 56.008 54.840 -0.181 0.000 0.763 347 L CB -0.186 41.779 42.059 -0.157 0.000 0.908 347 L HN 0.408 nan 8.230 nan 0.000 0.437 348 V N -5.147 114.415 119.914 -0.587 0.000 3.319 348 V HA 0.414 4.533 4.120 -0.002 0.000 0.317 348 V C 1.935 177.878 176.094 -0.251 0.000 1.411 348 V CA 0.355 62.165 62.300 -0.817 0.000 1.112 348 V CB -0.117 30.900 31.823 -1.343 0.000 1.031 348 V HN 0.141 nan 8.190 nan 0.000 0.448 349 A N 0.831 123.580 122.820 -0.119 0.000 1.877 349 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 349 A C 1.644 179.259 177.584 0.052 0.000 1.186 349 A CA 2.165 54.185 52.037 -0.027 0.000 0.620 349 A CB -0.559 18.432 19.000 -0.016 0.000 0.822 349 A HN 0.529 nan 8.150 nan 0.000 0.443 350 D N -1.696 118.779 120.400 0.125 0.000 2.344 350 D HA 0.099 4.738 4.640 -0.002 0.000 0.242 350 D C -0.862 175.568 176.300 0.217 0.000 1.159 350 D CA 0.176 54.263 54.000 0.146 0.000 0.859 350 D CB -0.110 40.761 40.800 0.118 0.000 0.925 350 D HN 0.499 nan 8.370 nan 0.000 0.510 351 W N 0.925 122.158 121.300 -0.111 0.000 2.606 351 W HA 0.244 4.903 4.660 -0.002 0.000 0.332 351 W C 0.645 177.114 176.519 -0.083 0.000 1.052 351 W CA -1.091 56.184 57.345 -0.115 0.000 1.223 351 W CB 0.771 30.118 29.460 -0.188 0.000 1.383 351 W HN -0.291 nan 8.180 nan 0.000 0.524 352 T N -1.365 113.260 114.554 0.119 0.000 2.899 352 T HA 0.079 4.428 4.350 -0.002 0.000 0.295 352 T C 0.741 175.520 174.700 0.132 0.000 1.033 352 T CA -0.209 61.939 62.100 0.081 0.000 1.084 352 T CB 1.091 69.975 68.868 0.025 0.000 0.979 352 T HN 0.366 nan 8.240 nan 0.000 0.532 353 D N 1.105 121.567 120.400 0.103 0.000 2.190 353 D HA -0.081 4.558 4.640 -0.002 0.000 0.200 353 D C 1.859 178.264 176.300 0.174 0.000 0.992 353 D CA 1.357 55.433 54.000 0.126 0.000 0.854 353 D CB -0.025 40.822 40.800 0.078 0.000 0.936 353 D HN 0.755 nan 8.370 nan 0.000 0.462 354 E N 0.017 120.299 120.200 0.136 0.000 2.152 354 E HA -0.083 4.266 4.350 -0.002 0.000 0.192 354 E C 1.998 178.714 176.600 0.192 0.000 0.983 354 E CA 0.634 57.131 56.400 0.161 0.000 0.818 354 E CB -0.117 29.635 29.700 0.087 0.000 0.758 354 E HN 0.406 nan 8.360 nan 0.000 0.467 355 Q N -0.133 119.760 119.800 0.156 0.000 2.230 355 Q HA -0.023 4.316 4.340 -0.002 0.000 0.202 355 Q C 2.070 178.295 176.000 0.376 0.000 0.963 355 Q CA 0.774 56.663 55.803 0.144 0.000 0.866 355 Q CB 0.035 28.741 28.738 -0.053 0.000 0.931 355 Q HN 0.356 nan 8.270 nan 0.000 0.452 356 I N -0.366 120.436 120.570 0.387 0.000 2.277 356 I HA -0.211 3.957 4.170 -0.002 0.000 0.243 356 I C 2.097 178.392 176.117 0.298 0.000 1.094 356 I CA 0.802 62.276 61.300 0.290 0.000 1.393 356 I CB -0.316 37.808 38.000 0.207 0.000 1.078 356 I HN 0.439 nan 8.210 nan 0.000 0.417 357 W N 1.857 123.236 121.300 0.133 0.000 2.468 357 W HA -0.148 4.511 4.660 -0.002 0.000 0.262 357 W C 2.175 178.763 176.519 0.116 0.000 1.241 357 W CA 1.065 58.485 57.345 0.124 0.000 1.232 357 W CB 0.244 29.768 29.460 0.106 0.000 1.124 357 W HN 0.134 nan 8.180 nan 0.000 0.597 358 A N 0.408 123.317 122.820 0.148 0.000 2.119 358 A HA 0.026 4.345 4.320 -0.002 0.000 0.216 358 A C 1.036 178.630 177.584 0.017 0.000 1.152 358 A CA 0.247 52.320 52.037 0.059 0.000 0.708 358 A CB -0.736 18.313 19.000 0.082 0.000 0.805 358 A HN 0.141 nan 8.150 nan 0.000 0.460 359 L N 1.469 122.680 121.223 -0.019 0.000 2.559 359 L HA 0.045 4.384 4.340 -0.002 0.000 0.274 359 L C 0.254 177.230 176.870 0.176 0.000 1.205 359 L CA -0.156 54.623 54.840 -0.101 0.000 0.907 359 L CB -0.053 41.665 42.059 -0.569 0.000 1.153 359 L HN 0.308 nan 8.230 nan 0.000 0.490 360 N N 2.655 121.593 118.700 0.396 0.000 2.457 360 N HA 0.442 5.181 4.740 -0.002 0.000 0.290 360 N C -0.737 175.084 175.510 0.517 0.000 1.232 360 N CA -0.771 52.495 53.050 0.361 0.000 0.852 360 N CB 1.547 40.167 38.487 0.221 0.000 1.313 360 N HN 0.373 nan 8.380 nan 0.000 0.522 361 R N -0.534 120.121 120.500 0.258 0.000 2.490 361 R HA 0.310 4.649 4.340 -0.002 0.000 0.278 361 R C 1.306 177.629 176.300 0.038 0.000 1.069 361 R CA -0.196 55.928 56.100 0.041 0.000 1.080 361 R CB 0.458 30.539 30.300 -0.366 0.000 1.030 361 R HN 0.751 nan 8.270 nan 0.000 0.491 362 G N 1.601 110.362 108.800 -0.066 0.000 2.475 362 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.220 362 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.220 362 G C 1.252 176.092 174.900 -0.099 0.000 1.125 362 G CA 0.856 45.926 45.100 -0.051 0.000 0.755 362 G HN 0.754 nan 8.290 nan 0.000 0.565 363 G N -1.164 107.505 108.800 -0.219 0.000 2.708 363 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.210 363 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.210 363 G C 1.201 175.825 174.900 -0.459 0.000 1.141 363 G CA 0.414 45.326 45.100 -0.314 0.000 0.788 363 G HN 0.558 nan 8.290 nan 0.000 0.531 364 H N -0.771 118.214 119.070 -0.142 0.000 2.755 364 H HA 0.128 4.683 4.556 -0.002 0.000 0.273 364 H C -0.479 174.809 175.328 -0.067 0.000 1.055 364 H CA -0.244 55.690 56.048 -0.189 0.000 1.191 364 H CB 1.116 30.664 29.762 -0.356 0.000 1.536 364 H HN 0.246 nan 8.280 nan 0.000 0.529 365 D N 1.261 121.691 120.400 0.049 0.000 2.414 365 D HA 0.152 4.791 4.640 -0.002 0.000 0.232 365 D C -1.912 174.402 176.300 0.023 0.000 1.070 365 D CA -2.193 51.839 54.000 0.053 0.000 0.839 365 D CB 2.364 43.217 40.800 0.088 0.000 1.079 365 D HN -0.040 nan 8.370 nan 0.000 0.521 366 P HA -0.165 nan 4.420 nan 0.000 0.216 366 P C 1.049 178.317 177.300 -0.055 0.000 1.153 366 P CA 1.465 64.519 63.100 -0.076 0.000 0.858 366 P CB 0.414 31.917 31.700 -0.328 0.000 0.789 367 K N -0.466 119.846 120.400 -0.147 0.000 2.057 367 K HA -0.137 4.181 4.320 -0.002 0.000 0.207 367 K C 1.940 178.657 176.600 0.194 0.000 1.049 367 K CA 1.205 57.512 56.287 0.035 0.000 0.931 367 K CB -0.233 32.271 32.500 0.006 0.000 0.714 367 K HN 0.078 nan 8.250 nan 0.000 0.440 368 K N 0.848 121.327 120.400 0.132 0.000 2.103 368 K HA -0.022 4.297 4.320 -0.002 0.000 0.204 368 K C 2.132 178.815 176.600 0.138 0.000 1.052 368 K CA 1.023 57.383 56.287 0.122 0.000 0.945 368 K CB -0.265 32.279 32.500 0.074 0.000 0.722 368 K HN 0.182 nan 8.250 nan 0.000 0.443 369 I N 0.152 120.822 120.570 0.168 0.000 2.179 369 I HA -0.311 3.858 4.170 -0.002 0.000 0.242 369 I C 2.459 178.799 176.117 0.371 0.000 1.088 369 I CA 1.276 62.716 61.300 0.233 0.000 1.357 369 I CB -0.387 37.744 38.000 0.219 0.000 1.051 369 I HN 0.036 nan 8.210 nan 0.000 0.409 370 Y N 1.728 122.228 120.300 0.334 0.000 2.165 370 Y HA -0.322 4.227 4.550 -0.002 0.000 0.286 370 Y C 2.505 178.608 175.900 0.339 0.000 1.155 370 Y CA 1.543 59.908 58.100 0.442 0.000 1.164 370 Y CB -0.327 38.435 38.460 0.504 0.000 0.978 370 Y HN 0.132 nan 8.280 nan 0.000 0.513 371 A N 0.465 123.474 122.820 0.316 0.000 1.933 371 A HA -0.148 4.171 4.320 -0.002 0.000 0.218 371 A C 2.417 179.995 177.584 -0.009 0.000 1.175 371 A CA 1.948 54.076 52.037 0.151 0.000 0.628 371 A CB -1.498 17.601 19.000 0.166 0.000 0.814 371 A HN 0.629 nan 8.150 nan 0.000 0.444 372 A N -1.112 121.685 122.820 -0.038 0.000 1.877 372 A HA 0.014 4.333 4.320 -0.002 0.000 0.216 372 A C 1.946 179.315 177.584 -0.358 0.000 1.186 372 A CA 1.500 53.413 52.037 -0.207 0.000 0.620 372 A CB -0.766 18.066 19.000 -0.281 0.000 0.822 372 A HN 0.465 nan 8.150 nan 0.000 0.443 373 F N -0.076 119.641 119.950 -0.388 0.000 2.293 373 F HA -0.064 4.462 4.527 -0.002 0.000 0.300 373 F C 2.247 177.740 175.800 -0.512 0.000 1.086 373 F CA 1.676 59.276 58.000 -0.667 0.000 1.375 373 F CB -0.071 38.054 39.000 -1.457 0.000 1.045 373 F HN 0.142 nan 8.300 nan 0.000 0.516 374 K N 1.169 121.471 120.400 -0.164 0.000 2.025 374 K HA -0.167 4.152 4.320 -0.002 0.000 0.207 374 K C 2.072 178.655 176.600 -0.029 0.000 1.049 374 K CA 1.442 57.724 56.287 -0.008 0.000 0.933 374 K CB -0.299 32.103 32.500 -0.164 0.000 0.714 374 K HN 0.071 nan 8.250 nan 0.000 0.438 375 K N -0.283 120.070 120.400 -0.078 0.000 2.057 375 K HA -0.107 4.212 4.320 -0.002 0.000 0.207 375 K C 1.910 178.451 176.600 -0.098 0.000 1.049 375 K CA 1.311 57.554 56.287 -0.073 0.000 0.931 375 K CB -0.269 32.181 32.500 -0.083 0.000 0.714 375 K HN 0.197 nan 8.250 nan 0.000 0.440 376 A N 1.242 123.969 122.820 -0.156 0.000 1.883 376 A HA -0.260 4.059 4.320 -0.002 0.000 0.217 376 A C 2.108 179.631 177.584 -0.102 0.000 1.186 376 A CA 1.801 53.737 52.037 -0.169 0.000 0.624 376 A CB -0.754 18.092 19.000 -0.256 0.000 0.822 376 A HN 0.579 nan 8.150 nan 0.000 0.444 377 Q N -0.496 119.283 119.800 -0.036 0.000 2.135 377 Q HA -0.242 4.097 4.340 -0.002 0.000 0.204 377 Q C 1.818 177.822 176.000 0.006 0.000 0.981 377 Q CA 1.959 57.783 55.803 0.034 0.000 0.856 377 Q CB -0.114 28.724 28.738 0.166 0.000 0.902 377 Q HN 0.815 nan 8.270 nan 0.000 0.425 378 E N -0.395 119.801 120.200 -0.008 0.000 2.158 378 E HA -0.013 4.336 4.350 -0.002 0.000 0.191 378 E C 0.128 176.705 176.600 -0.040 0.000 0.982 378 E CA 0.559 56.951 56.400 -0.014 0.000 0.823 378 E CB 0.216 29.912 29.700 -0.008 0.000 0.766 378 E HN 0.188 nan 8.360 nan 0.000 0.468 379 T N 2.438 116.953 114.554 -0.064 0.000 2.928 379 T HA 0.082 4.431 4.350 -0.002 0.000 0.305 379 T C 0.110 174.753 174.700 -0.095 0.000 1.035 379 T CA 0.288 62.338 62.100 -0.083 0.000 1.145 379 T CB 0.563 69.367 68.868 -0.108 0.000 0.963 379 T HN -0.114 nan 8.240 nan 0.000 0.545 380 K N 1.105 121.452 120.400 -0.089 0.000 2.395 380 K HA 0.622 4.941 4.320 -0.002 0.000 0.247 380 K C 1.068 177.605 176.600 -0.104 0.000 0.973 380 K CA -0.475 55.756 56.287 -0.093 0.000 0.828 380 K CB 1.867 34.328 32.500 -0.066 0.000 1.272 380 K HN 0.752 nan 8.250 nan 0.000 0.439 381 G N 1.038 109.770 108.800 -0.114 0.000 2.234 381 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.235 381 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.235 381 G C -0.093 174.709 174.900 -0.162 0.000 0.997 381 G CA 0.837 45.867 45.100 -0.117 0.000 0.623 381 G HN 0.623 nan 8.290 nan 0.000 0.514 382 K N -0.885 119.387 120.400 -0.214 0.000 2.615 382 K HA 0.795 5.114 4.320 -0.002 0.000 0.291 382 K C -0.285 176.051 176.600 -0.440 0.000 1.017 382 K CA -0.393 55.703 56.287 -0.319 0.000 0.882 382 K CB 0.989 33.329 32.500 -0.266 0.000 1.522 382 K HN 1.221 nan 8.250 nan 0.000 0.412 383 A N 0.774 123.139 122.820 -0.758 0.000 2.304 383 A HA 0.577 4.896 4.320 -0.002 0.000 0.271 383 A C -0.517 176.668 177.584 -0.664 0.000 1.091 383 A CA -0.245 51.226 52.037 -0.942 0.000 0.812 383 A CB 0.658 18.573 19.000 -1.808 0.000 1.056 383 A HN 0.590 nan 8.150 nan 0.000 0.489 384 T N 0.417 114.728 114.554 -0.405 0.000 2.856 384 T HA 0.511 4.860 4.350 -0.002 0.000 0.283 384 T C -0.923 173.818 174.700 0.068 0.000 1.008 384 T CA -0.324 61.698 62.100 -0.129 0.000 0.997 384 T CB 1.397 70.155 68.868 -0.184 0.000 0.992 384 T HN 0.920 nan 8.240 nan 0.000 0.454 385 V N 4.926 124.905 119.914 0.108 0.000 2.487 385 V HA 0.632 4.751 4.120 -0.002 0.000 0.298 385 V C -1.041 174.909 176.094 -0.239 0.000 1.028 385 V CA -0.899 61.360 62.300 -0.069 0.000 0.860 385 V CB 0.988 32.535 31.823 -0.460 0.000 0.991 385 V HN 0.843 nan 8.190 nan 0.000 0.427 386 I N 7.484 127.869 120.570 -0.309 0.000 2.321 386 I HA 0.384 4.552 4.170 -0.002 0.000 0.291 386 I C -0.461 175.454 176.117 -0.337 0.000 0.998 386 I CA -0.425 60.653 61.300 -0.370 0.000 1.227 386 I CB 1.523 39.194 38.000 -0.549 0.000 1.368 386 I HN 0.410 nan 8.210 nan 0.000 0.466 387 L N 6.931 127.967 121.223 -0.312 0.000 2.264 387 L HA 0.541 4.880 4.340 -0.002 0.000 0.287 387 L C 0.296 177.001 176.870 -0.276 0.000 1.039 387 L CA -0.440 54.226 54.840 -0.291 0.000 0.829 387 L CB 1.038 42.922 42.059 -0.291 0.000 1.211 387 L HN 0.630 nan 8.230 nan 0.000 0.427 388 A N 3.052 125.733 122.820 -0.233 0.000 2.253 388 A HA 0.258 4.577 4.320 -0.002 0.000 0.316 388 A C -0.430 177.052 177.584 -0.170 0.000 1.327 388 A CA -0.408 51.507 52.037 -0.203 0.000 0.917 388 A CB -0.009 18.893 19.000 -0.163 0.000 1.162 388 A HN 0.789 nan 8.150 nan 0.000 0.535 389 H N 2.970 121.826 119.070 -0.356 0.000 2.878 389 H HA 0.380 4.935 4.556 -0.002 0.000 0.290 389 H C 0.284 175.422 175.328 -0.317 0.000 1.065 389 H CA 0.768 56.587 56.048 -0.381 0.000 1.477 389 H CB 0.521 29.921 29.762 -0.603 0.000 1.484 389 H HN 0.793 nan 8.280 nan 0.000 0.504 390 T N 2.365 116.777 114.554 -0.238 0.000 2.838 390 T HA 0.450 4.799 4.350 -0.002 0.000 0.292 390 T C -0.282 174.398 174.700 -0.032 0.000 1.113 390 T CA -1.004 60.942 62.100 -0.257 0.000 1.008 390 T CB 1.579 70.259 68.868 -0.314 0.000 1.259 390 T HN 0.406 nan 8.240 nan 0.000 0.520 391 I N 1.306 122.043 120.570 0.278 0.000 2.330 391 I HA 0.385 4.554 4.170 -0.002 0.000 0.289 391 I C 0.328 176.584 176.117 0.232 0.000 1.001 391 I CA -0.936 60.483 61.300 0.199 0.000 1.193 391 I CB 1.536 39.650 38.000 0.189 0.000 1.345 391 I HN 0.634 nan 8.210 nan 0.000 0.461 392 K N 4.711 125.213 120.400 0.171 0.000 2.401 392 K HA 0.279 4.598 4.320 -0.002 0.000 0.278 392 K C 1.005 177.724 176.600 0.198 0.000 1.018 392 K CA 0.719 57.114 56.287 0.179 0.000 0.981 392 K CB 0.568 33.156 32.500 0.147 0.000 0.933 392 K HN 0.887 nan 8.250 nan 0.000 0.477 393 G N 3.188 112.120 108.800 0.219 0.000 2.176 393 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.252 393 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.252 393 G C -0.315 174.730 174.900 0.241 0.000 1.024 393 G CA 0.363 45.587 45.100 0.207 0.000 0.755 393 G HN 0.742 nan 8.290 nan 0.000 0.507 394 Y N 0.493 120.879 120.300 0.144 0.000 2.881 394 Y HA 0.261 4.810 4.550 -0.002 0.000 0.335 394 Y C 1.601 177.643 175.900 0.237 0.000 1.263 394 Y CA 1.197 59.367 58.100 0.117 0.000 1.572 394 Y CB 0.245 38.751 38.460 0.078 0.000 1.237 394 Y HN 1.508 nan 8.280 nan 0.000 0.568 395 G N 5.293 113.943 108.800 -0.250 0.000 2.180 395 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.263 395 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.263 395 G C 0.625 175.646 174.900 0.202 0.000 0.989 395 G CA 0.695 45.703 45.100 -0.153 0.000 0.692 395 G HN 0.698 nan 8.290 nan 0.000 0.526 396 M N 0.203 119.891 119.600 0.146 0.000 2.428 396 M HA 0.295 4.774 4.480 -0.002 0.000 0.239 396 M C 2.394 178.618 176.300 -0.127 0.000 1.121 396 M CA 0.669 56.023 55.300 0.090 0.000 1.019 396 M CB 0.141 32.806 32.600 0.109 0.000 1.485 396 M HN 0.534 nan 8.290 nan 0.000 0.484 397 G N 2.083 110.800 108.800 -0.139 0.000 3.234 397 G HA2 -0.464 3.495 3.960 -0.002 0.000 0.328 397 G HA3 -0.464 3.495 3.960 -0.002 0.000 0.328 397 G C 0.542 175.343 174.900 -0.164 0.000 1.548 397 G CA 2.006 46.985 45.100 -0.202 0.000 1.655 397 G HN 0.438 nan 8.290 nan 0.000 1.022 398 D N 0.686 120.928 120.400 -0.263 0.000 2.564 398 D HA -0.052 4.587 4.640 -0.002 0.000 0.209 398 D C 2.719 178.988 176.300 -0.051 0.000 1.075 398 D CA 3.216 57.140 54.000 -0.127 0.000 0.922 398 D CB -0.879 39.852 40.800 -0.116 0.000 1.186 398 D HN 0.771 nan 8.370 nan 0.000 0.487 399 A N 0.115 122.916 122.820 -0.031 0.000 1.844 399 A HA 0.470 4.789 4.320 -0.002 0.000 0.212 399 A C 1.337 178.935 177.584 0.022 0.000 1.221 399 A CA 1.413 53.452 52.037 0.004 0.000 0.607 399 A CB -0.679 18.330 19.000 0.015 0.000 0.878 399 A HN 0.369 nan 8.150 nan 0.000 0.451 415 D N 0.803 121.236 120.400 0.056 0.000 2.144 415 D HA 0.035 4.674 4.640 -0.002 0.000 0.200 415 D C 1.836 178.199 176.300 0.105 0.000 0.978 415 D CA 1.793 55.838 54.000 0.074 0.000 0.833 415 D CB -0.068 40.766 40.800 0.057 0.000 0.961 415 D HN 0.545 nan 8.370 nan 0.000 0.470 416 G N 0.845 109.691 108.800 0.077 0.000 2.418 416 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.217 416 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.217 416 G C 1.852 176.839 174.900 0.145 0.000 1.158 416 G CA 0.626 45.775 45.100 0.081 0.000 0.771 416 G HN 0.235 nan 8.290 nan 0.000 0.545 417 V N 0.337 120.326 119.914 0.124 0.000 2.427 417 V HA -0.097 4.022 4.120 -0.002 0.000 0.248 417 V C 2.760 179.025 176.094 0.284 0.000 1.051 417 V CA 1.918 64.317 62.300 0.166 0.000 1.048 417 V CB -0.415 31.470 31.823 0.103 0.000 0.666 417 V HN 0.348 nan 8.190 nan 0.000 0.456 418 R N -0.797 119.830 120.500 0.212 0.000 2.075 418 R HA -0.195 4.144 4.340 -0.002 0.000 0.232 418 R C 2.518 178.929 176.300 0.184 0.000 1.126 418 R CA 1.529 57.738 56.100 0.182 0.000 0.963 418 R CB -0.450 29.922 30.300 0.119 0.000 0.858 418 R HN 0.665 nan 8.270 nan 0.000 0.435 419 H N 0.833 119.967 119.070 0.107 0.000 2.352 419 H HA -0.137 4.418 4.556 -0.002 0.000 0.299 419 H C 1.903 177.302 175.328 0.119 0.000 1.097 419 H CA 2.066 58.164 56.048 0.083 0.000 1.311 419 H CB -0.090 29.712 29.762 0.066 0.000 1.377 419 H HN 0.246 nan 8.280 nan 0.000 0.504 420 I N 0.371 121.183 120.570 0.403 0.000 2.202 420 I HA -0.217 3.952 4.170 -0.002 0.000 0.242 420 I C 3.021 179.408 176.117 0.449 0.000 1.091 420 I CA 0.799 62.392 61.300 0.487 0.000 1.368 420 I CB -0.359 37.949 38.000 0.513 0.000 1.058 420 I HN 0.149 nan 8.210 nan 0.000 0.410 421 R N 1.381 122.129 120.500 0.413 0.000 2.083 421 R HA -0.207 4.132 4.340 -0.002 0.000 0.237 421 R C 1.652 177.970 176.300 0.030 0.000 1.137 421 R CA 2.096 58.274 56.100 0.130 0.000 0.951 421 R CB -0.597 29.705 30.300 0.004 0.000 0.851 421 R HN 0.344 nan 8.270 nan 0.000 0.434 422 D N -0.147 120.251 120.400 -0.003 0.000 2.097 422 D HA -0.152 4.487 4.640 -0.002 0.000 0.197 422 D C 1.988 178.188 176.300 -0.167 0.000 0.984 422 D CA 1.089 55.036 54.000 -0.090 0.000 0.826 422 D CB -0.329 40.401 40.800 -0.117 0.000 0.973 422 D HN 0.115 nan 8.370 nan 0.000 0.460 423 R N 0.225 120.552 120.500 -0.288 0.000 2.091 423 R HA -0.099 4.240 4.340 -0.002 0.000 0.238 423 R C 1.350 177.294 176.300 -0.592 0.000 1.136 423 R CA 1.241 57.027 56.100 -0.524 0.000 0.959 423 R CB -0.638 29.220 30.300 -0.737 0.000 0.856 423 R HN 0.143 nan 8.270 nan 0.000 0.437 424 F N 0.215 120.160 119.950 -0.009 0.000 2.641 424 F HA 0.315 4.841 4.527 -0.002 0.000 0.302 424 F C -0.086 175.723 175.800 0.014 0.000 1.098 424 F CA -0.383 57.636 58.000 0.031 0.000 1.318 424 F CB -0.394 38.666 39.000 0.101 0.000 1.035 424 F HN 0.030 nan 8.300 nan 0.000 0.551 425 N N -0.078 118.659 118.700 0.061 0.000 2.714 425 N HA -0.172 4.567 4.740 -0.002 0.000 0.252 425 N C -0.761 174.758 175.510 0.015 0.000 1.014 425 N CA 0.193 53.254 53.050 0.019 0.000 0.735 425 N CB -1.312 37.190 38.487 0.025 0.000 0.924 425 N HN -0.015 nan 8.380 nan 0.000 0.540 426 V N 1.037 120.931 119.914 -0.034 0.000 2.572 426 V HA 0.176 4.295 4.120 -0.002 0.000 0.291 426 V C -1.202 174.740 176.094 -0.253 0.000 1.039 426 V CA -0.924 61.270 62.300 -0.177 0.000 1.055 426 V CB 0.938 32.498 31.823 -0.439 0.000 0.969 426 V HN 0.164 nan 8.190 nan 0.000 0.482 427 P HA 0.193 nan 4.420 nan 0.000 0.230 427 P C -0.741 176.423 177.300 -0.227 0.000 1.791 427 P CA 0.178 63.190 63.100 -0.148 0.000 1.020 427 P CB 0.193 31.870 31.700 -0.038 0.000 1.977 428 V N 1.598 121.331 119.914 -0.302 0.000 2.577 428 V HA 0.244 4.363 4.120 -0.002 0.000 0.303 428 V C 0.729 176.725 176.094 -0.164 0.000 1.042 428 V CA -0.569 61.565 62.300 -0.277 0.000 0.872 428 V CB 2.087 33.609 31.823 -0.502 0.000 0.998 428 V HN 0.403 nan 8.190 nan 0.000 0.423 429 S N 1.977 117.625 115.700 -0.087 0.000 2.645 429 S HA 0.252 4.721 4.470 -0.002 0.000 0.266 429 S C 0.660 175.244 174.600 -0.028 0.000 1.258 429 S CA -0.335 57.835 58.200 -0.050 0.000 0.990 429 S CB 1.141 64.323 63.200 -0.030 0.000 0.967 429 S HN 0.657 nan 8.310 nan 0.000 0.556 430 D N 1.153 121.544 120.400 -0.015 0.000 2.178 430 D HA 0.030 4.669 4.640 -0.002 0.000 0.201 430 D C 2.045 178.350 176.300 0.008 0.000 0.980 430 D CA 1.648 55.649 54.000 0.002 0.000 0.842 430 D CB -0.597 40.204 40.800 0.002 0.000 0.948 430 D HN 0.710 nan 8.370 nan 0.000 0.472 431 A N 0.182 123.003 122.820 0.002 0.000 2.066 431 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 431 A C 1.395 178.984 177.584 0.010 0.000 1.157 431 A CA 1.243 53.284 52.037 0.005 0.000 0.670 431 A CB 0.061 19.062 19.000 0.001 0.000 0.804 431 A HN 0.032 nan 8.150 nan 0.000 0.453 432 D N -1.240 119.166 120.400 0.011 0.000 2.423 432 D HA 0.110 4.749 4.640 -0.002 0.000 0.212 432 D C 1.642 177.971 176.300 0.048 0.000 1.060 432 D CA -0.122 53.890 54.000 0.021 0.000 0.872 432 D CB -0.080 40.728 40.800 0.014 0.000 1.012 432 D HN 0.408 nan 8.370 nan 0.000 0.503 433 I N 1.367 121.973 120.570 0.061 0.000 2.248 433 I HA -0.293 3.876 4.170 -0.002 0.000 0.248 433 I C 1.998 178.183 176.117 0.113 0.000 1.107 433 I CA 1.434 62.811 61.300 0.127 0.000 1.373 433 I CB 0.224 38.297 38.000 0.122 0.000 1.055 433 I HN -0.058 nan 8.210 nan 0.000 0.418 434 E N 0.456 120.693 120.200 0.061 0.000 2.409 434 E HA -0.181 4.168 4.350 -0.002 0.000 0.198 434 E C 1.527 178.134 176.600 0.011 0.000 1.024 434 E CA 0.544 56.965 56.400 0.035 0.000 0.861 434 E CB 0.182 29.895 29.700 0.022 0.000 0.788 434 E HN 0.443 nan 8.360 nan 0.000 0.521 435 K N 0.239 120.647 120.400 0.013 0.000 2.444 435 K HA 0.102 4.421 4.320 -0.002 0.000 0.193 435 K C 0.164 176.729 176.600 -0.058 0.000 1.024 435 K CA -0.008 56.267 56.287 -0.020 0.000 1.077 435 K CB 0.183 32.676 32.500 -0.013 0.000 0.833 435 K HN 0.123 nan 8.250 nan 0.000 0.517 436 L N 1.544 122.750 121.223 -0.029 0.000 3.854 436 L HA -0.173 4.166 4.340 -0.002 0.000 0.460 436 L C -2.113 174.643 176.870 -0.190 0.000 1.228 436 L CA -0.514 54.261 54.840 -0.108 0.000 0.760 436 L CB -1.553 40.378 42.059 -0.214 0.000 1.597 436 L HN 0.123 nan 8.230 nan 0.000 0.852 437 P HA 0.088 nan 4.420 nan 0.000 0.275 437 P C -0.461 176.872 177.300 0.055 0.000 1.228 437 P CA -0.011 63.070 63.100 -0.032 0.000 0.786 437 P CB 0.607 32.352 31.700 0.076 0.000 0.927 438 Y N 0.981 121.341 120.300 0.101 0.000 2.301 438 Y HA 0.336 4.885 4.550 -0.002 0.000 0.325 438 Y C 1.107 177.117 175.900 0.183 0.000 1.203 438 Y CA -0.282 57.872 58.100 0.090 0.000 1.255 438 Y CB 0.434 38.785 38.460 -0.181 0.000 1.232 438 Y HN 0.165 nan 8.280 nan 0.000 0.501 439 I N 2.123 122.923 120.570 0.383 0.000 2.437 439 I HA 0.436 4.605 4.170 -0.002 0.000 0.298 439 I C -0.043 176.103 176.117 0.048 0.000 0.984 439 I CA -0.513 60.854 61.300 0.113 0.000 1.214 439 I CB 1.657 39.615 38.000 -0.069 0.000 1.365 439 I HN 0.672 nan 8.210 nan 0.000 0.469 440 T N 1.616 116.105 114.554 -0.108 0.000 2.916 440 T HA 0.620 4.969 4.350 -0.002 0.000 0.292 440 T C -0.859 173.654 174.700 -0.311 0.000 1.055 440 T CA -0.644 61.341 62.100 -0.191 0.000 1.009 440 T CB 1.554 70.389 68.868 -0.054 0.000 1.118 440 T HN 0.114 nan 8.240 nan 0.000 0.497 441 F N 2.990 122.984 119.950 0.073 0.000 2.375 441 F HA 0.485 5.011 4.527 -0.002 0.000 0.361 441 F C -1.900 173.950 175.800 0.083 0.000 1.117 441 F CA -2.575 55.485 58.000 0.101 0.000 1.037 441 F CB 1.328 40.416 39.000 0.147 0.000 1.192 441 F HN 0.408 nan 8.300 nan 0.000 0.452 442 P HA 0.008 nan 4.420 nan 0.000 0.269 442 P C -0.203 176.971 177.300 -0.211 0.000 1.215 442 P CA -0.267 62.828 63.100 -0.009 0.000 0.780 442 P CB 0.942 32.648 31.700 0.010 0.000 0.898 443 E N 0.184 120.104 120.200 -0.468 0.000 2.452 443 E HA 0.190 4.539 4.350 -0.002 0.000 0.261 443 E C 1.186 177.634 176.600 -0.252 0.000 0.987 443 E CA 1.087 57.057 56.400 -0.716 0.000 0.926 443 E CB -0.269 29.165 29.700 -0.444 0.000 0.934 443 E HN 0.790 nan 8.360 nan 0.000 0.452 444 G N 2.788 111.519 108.800 -0.115 0.000 2.258 444 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.233 444 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.233 444 G C 0.275 175.196 174.900 0.034 0.000 1.006 444 G CA 0.252 45.346 45.100 -0.010 0.000 0.620 444 G HN 0.796 nan 8.290 nan 0.000 0.511 445 S N 0.234 115.965 115.700 0.052 0.000 2.593 445 S HA 0.511 4.980 4.470 -0.002 0.000 0.269 445 S C 1.093 175.732 174.600 0.066 0.000 1.334 445 S CA 0.775 59.016 58.200 0.068 0.000 1.015 445 S CB 2.074 65.341 63.200 0.112 0.000 0.912 445 S HN 0.542 nan 8.310 nan 0.000 0.541 446 E N 0.939 121.144 120.200 0.008 0.000 2.110 446 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 446 E C 1.497 178.065 176.600 -0.055 0.000 0.988 446 E CA 1.474 57.869 56.400 -0.008 0.000 0.804 446 E CB -0.144 29.532 29.700 -0.040 0.000 0.745 446 E HN 0.834 nan 8.360 nan 0.000 0.458 447 E N -0.244 119.820 120.200 -0.228 0.000 2.047 447 E HA -0.204 4.145 4.350 -0.002 0.000 0.191 447 E C 1.988 178.475 176.600 -0.187 0.000 0.987 447 E CA 1.339 57.447 56.400 -0.486 0.000 0.799 447 E CB -0.317 28.452 29.700 -1.552 0.000 0.752 447 E HN 0.345 nan 8.360 nan 0.000 0.449 448 H N 0.259 119.282 119.070 -0.078 0.000 2.353 448 H HA -0.076 4.479 4.556 -0.002 0.000 0.300 448 H C 1.636 177.083 175.328 0.198 0.000 1.090 448 H CA 1.928 58.067 56.048 0.152 0.000 1.327 448 H CB 0.079 29.960 29.762 0.198 0.000 1.383 448 H HN 0.135 nan 8.280 nan 0.000 0.508 449 T N 0.296 115.002 114.554 0.252 0.000 2.684 449 T HA -0.204 4.145 4.350 -0.002 0.000 0.267 449 T C 1.805 176.581 174.700 0.127 0.000 1.036 449 T CA 1.654 63.868 62.100 0.191 0.000 1.148 449 T CB -0.744 68.219 68.868 0.158 0.000 0.863 449 T HN 0.415 nan 8.240 nan 0.000 0.436 450 Y N 1.299 121.586 120.300 -0.021 0.000 2.200 450 Y HA -0.014 4.535 4.550 -0.002 0.000 0.290 450 Y C 2.173 178.027 175.900 -0.076 0.000 1.137 450 Y CA 0.731 58.803 58.100 -0.047 0.000 1.163 450 Y CB -0.458 37.965 38.460 -0.062 0.000 0.988 450 Y HN 0.076 nan 8.280 nan 0.000 0.518 451 L N -0.158 121.118 121.223 0.088 0.000 1.990 451 L HA -0.309 4.030 4.340 -0.002 0.000 0.213 451 L C 2.387 179.140 176.870 -0.195 0.000 1.072 451 L CA 2.234 57.028 54.840 -0.078 0.000 0.755 451 L CB -1.055 40.888 42.059 -0.194 0.000 0.889 451 L HN 0.313 nan 8.230 nan 0.000 0.432 452 H N -0.766 118.255 119.070 -0.081 0.000 2.428 452 H HA 0.057 4.612 4.556 -0.002 0.000 0.296 452 H C 2.129 177.405 175.328 -0.087 0.000 1.062 452 H CA 1.147 57.175 56.048 -0.034 0.000 1.350 452 H CB -0.261 29.448 29.762 -0.089 0.000 1.403 452 H HN 0.548 nan 8.280 nan 0.000 0.533 453 A N 1.465 124.264 122.820 -0.035 0.000 1.858 453 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 453 A C 2.381 179.834 177.584 -0.218 0.000 1.190 453 A CA 1.346 53.309 52.037 -0.123 0.000 0.617 453 A CB -0.283 18.617 19.000 -0.167 0.000 0.827 453 A HN 0.267 nan 8.150 nan 0.000 0.443 454 Q N -0.473 119.120 119.800 -0.345 0.000 2.096 454 Q HA -0.157 4.182 4.340 -0.002 0.000 0.204 454 Q C 2.192 178.048 176.000 -0.240 0.000 0.982 454 Q CA 1.351 56.936 55.803 -0.364 0.000 0.850 454 Q CB -0.459 28.004 28.738 -0.459 0.000 0.901 454 Q HN 0.511 nan 8.270 nan 0.000 0.422 455 R N 0.476 120.858 120.500 -0.197 0.000 2.090 455 R HA -0.024 4.315 4.340 -0.002 0.000 0.228 455 R C 2.081 178.215 176.300 -0.277 0.000 1.110 455 R CA 0.736 56.694 56.100 -0.236 0.000 0.973 455 R CB -0.316 29.770 30.300 -0.357 0.000 0.869 455 R HN 0.350 nan 8.270 nan 0.000 0.440 456 Q N 0.874 120.550 119.800 -0.206 0.000 2.170 456 Q HA -0.076 4.263 4.340 -0.002 0.000 0.203 456 Q C 1.744 177.635 176.000 -0.181 0.000 0.976 456 Q CA 1.188 56.894 55.803 -0.161 0.000 0.858 456 Q CB -0.072 28.622 28.738 -0.073 0.000 0.907 456 Q HN 0.363 nan 8.270 nan 0.000 0.433 457 K N 0.068 120.348 120.400 -0.199 0.000 2.365 457 K HA 0.015 4.334 4.320 -0.002 0.000 0.199 457 K C 1.247 177.649 176.600 -0.330 0.000 1.045 457 K CA 0.479 56.628 56.287 -0.231 0.000 0.962 457 K CB 0.227 32.610 32.500 -0.195 0.000 0.759 457 K HN 0.143 nan 8.250 nan 0.000 0.469 458 L N -0.264 120.794 121.223 -0.275 0.000 2.965 458 L HA 0.204 4.543 4.340 -0.002 0.000 0.254 458 L C -0.514 176.296 176.870 -0.100 0.000 1.220 458 L CA 0.020 54.724 54.840 -0.227 0.000 1.023 458 L CB -0.263 41.755 42.059 -0.068 0.000 1.355 458 L HN 0.325 nan 8.230 nan 0.000 0.545 459 H N -1.635 117.388 119.070 -0.078 0.000 3.433 459 H HA -0.107 4.448 4.556 -0.002 0.000 0.186 459 H C 0.848 176.116 175.328 -0.100 0.000 1.011 459 H CA 0.344 56.357 56.048 -0.058 0.000 1.190 459 H CB -1.022 28.732 29.762 -0.014 0.000 1.057 459 H HN 0.584 nan 8.280 nan 0.000 0.349 460 G N -1.251 107.460 108.800 -0.148 0.000 2.255 460 G HA2 0.005 3.964 3.960 -0.002 0.000 0.216 460 G HA3 0.005 3.964 3.960 -0.002 0.000 0.216 460 G C -1.517 173.007 174.900 -0.626 0.000 1.307 460 G CA -0.479 44.383 45.100 -0.398 0.000 1.162 460 G HN 0.175 nan 8.290 nan 0.000 0.494 461 Y N 0.547 120.903 120.300 0.093 0.000 2.487 461 Y HA 0.808 5.357 4.550 -0.002 0.000 0.337 461 Y C 0.804 176.748 175.900 0.073 0.000 1.076 461 Y CA -0.465 57.689 58.100 0.090 0.000 1.115 461 Y CB 1.868 40.353 38.460 0.042 0.000 1.235 461 Y HN 0.834 nan 8.280 nan 0.000 0.468 462 L N 1.000 122.373 121.223 0.249 0.000 2.469 462 L HA 0.835 5.174 4.340 -0.002 0.000 0.256 462 L C -3.131 173.811 176.870 0.121 0.000 1.006 462 L CA -2.344 52.578 54.840 0.137 0.000 0.832 462 L CB 2.670 44.829 42.059 0.167 0.000 1.421 462 L HN 0.289 nan 8.230 nan 0.000 0.410 463 P HA 0.322 nan 4.420 nan 0.000 0.276 463 P C -1.014 175.964 177.300 -0.537 0.000 1.244 463 P CA -0.140 62.775 63.100 -0.307 0.000 0.801 463 P CB 1.700 33.166 31.700 -0.391 0.000 1.006 464 S N 0.991 116.514 115.700 -0.296 0.000 2.570 464 S HA 0.710 5.179 4.470 -0.002 0.000 0.270 464 S C -1.114 173.404 174.600 -0.137 0.000 1.149 464 S CA -0.917 57.150 58.200 -0.221 0.000 0.837 464 S CB 2.478 65.631 63.200 -0.078 0.000 1.124 464 S HN 0.683 nan 8.310 nan 0.000 0.465 465 R N 0.597 121.048 120.500 -0.082 0.000 2.626 465 R HA 0.443 4.782 4.340 -0.002 0.000 0.274 465 R C -1.677 174.613 176.300 -0.018 0.000 1.031 465 R CA -0.421 55.640 56.100 -0.064 0.000 0.898 465 R CB 2.004 32.263 30.300 -0.069 0.000 1.222 465 R HN 0.838 nan 8.270 nan 0.000 0.455 466 Q N 4.582 124.373 119.800 -0.014 0.000 2.340 466 Q HA 0.302 4.641 4.340 -0.002 0.000 0.259 466 Q C -1.702 174.323 176.000 0.040 0.000 0.964 466 Q CA -2.105 53.711 55.803 0.022 0.000 0.900 466 Q CB 1.821 30.581 28.738 0.036 0.000 1.228 466 Q HN 0.439 nan 8.270 nan 0.000 0.449 467 P HA -0.028 nan 4.420 nan 0.000 0.231 467 P C -0.482 176.951 177.300 0.221 0.000 1.168 467 P CA 0.651 63.823 63.100 0.120 0.000 0.779 467 P CB 0.669 32.418 31.700 0.081 0.000 0.844 468 N N 0.144 118.938 118.700 0.158 0.000 2.229 468 N HA 0.287 5.026 4.740 -0.002 0.000 0.298 468 N C -0.474 175.142 175.510 0.176 0.000 1.114 468 N CA -0.630 52.492 53.050 0.120 0.000 0.776 468 N CB 1.552 39.990 38.487 -0.081 0.000 1.501 468 N HN -0.071 nan 8.380 nan 0.000 0.474 469 F N -1.096 118.984 119.950 0.218 0.000 2.371 469 F HA 0.431 4.957 4.527 -0.001 0.000 0.329 469 F C 1.810 177.678 175.800 0.114 0.000 1.107 469 F CA -0.698 57.415 58.000 0.189 0.000 1.137 469 F CB 0.271 39.423 39.000 0.253 0.000 1.214 469 F HN 0.485 nan 8.300 nan 0.000 0.536 470 T N -1.764 112.944 114.554 0.258 0.000 2.937 470 T HA 0.016 4.365 4.350 -0.002 0.000 0.260 470 T C 0.507 175.310 174.700 0.171 0.000 1.051 470 T CA 0.433 62.610 62.100 0.128 0.000 1.141 470 T CB -0.680 68.252 68.868 0.106 0.000 0.879 470 T HN 0.820 nan 8.240 nan 0.000 0.459 471 E N 1.430 121.819 120.200 0.315 0.000 2.408 471 E HA 0.152 4.501 4.350 -0.002 0.000 0.259 471 E C -0.363 176.427 176.600 0.317 0.000 1.110 471 E CA -0.645 55.915 56.400 0.266 0.000 0.929 471 E CB 0.614 30.448 29.700 0.224 0.000 0.971 471 E HN 0.257 nan 8.360 nan 0.000 0.438 472 K N 3.233 123.755 120.400 0.203 0.000 2.265 472 K HA 0.267 4.586 4.320 -0.002 0.000 0.267 472 K C -0.792 175.920 176.600 0.186 0.000 0.994 472 K CA -0.571 55.831 56.287 0.191 0.000 0.860 472 K CB 0.711 33.276 32.500 0.108 0.000 1.099 472 K HN 0.523 nan 8.250 nan 0.000 0.448 473 L N 3.070 124.431 121.223 0.230 0.000 2.357 473 L HA 0.282 4.621 4.340 -0.002 0.000 0.273 473 L C 0.282 177.229 176.870 0.127 0.000 1.080 473 L CA -0.663 54.273 54.840 0.160 0.000 0.803 473 L CB 1.178 43.337 42.059 0.166 0.000 1.174 473 L HN 0.483 nan 8.230 nan 0.000 0.443 474 E N 4.032 124.287 120.200 0.093 0.000 2.261 474 E HA 0.324 4.673 4.350 -0.002 0.000 0.239 474 E C -0.470 176.181 176.600 0.084 0.000 0.991 474 E CA -0.282 56.167 56.400 0.081 0.000 0.847 474 E CB 0.695 30.429 29.700 0.058 0.000 1.223 474 E HN 0.425 nan 8.360 nan 0.000 0.446 475 L N 3.531 124.821 121.223 0.111 0.000 2.467 475 L HA 0.159 4.498 4.340 -0.002 0.000 0.270 475 L C -1.532 175.426 176.870 0.147 0.000 1.205 475 L CA -1.390 53.530 54.840 0.133 0.000 0.828 475 L CB -0.209 41.941 42.059 0.151 0.000 1.101 475 L HN 0.110 nan 8.230 nan 0.000 0.479 476 P HA 0.069 nan 4.420 nan 0.000 0.272 476 P C -0.681 176.804 177.300 0.308 0.000 1.230 476 P CA -0.421 62.763 63.100 0.140 0.000 0.788 476 P CB 0.940 32.652 31.700 0.021 0.000 0.949 477 S N 1.004 116.813 115.700 0.181 0.000 2.707 477 S HA 0.172 4.641 4.470 -0.002 0.000 0.276 477 S C 1.133 175.757 174.600 0.040 0.000 1.179 477 S CA -0.683 57.614 58.200 0.161 0.000 0.992 477 S CB 0.401 63.634 63.200 0.055 0.000 1.030 477 S HN 0.336 nan 8.310 nan 0.000 0.554 478 L N 0.765 121.757 121.223 -0.386 0.000 2.141 478 L HA -0.020 4.319 4.340 -0.002 0.000 0.209 478 L C 2.697 179.590 176.870 0.038 0.000 1.094 478 L CA 1.750 56.391 54.840 -0.331 0.000 0.763 478 L CB -1.123 40.649 42.059 -0.479 0.000 0.908 478 L HN 0.945 nan 8.230 nan 0.000 0.437 479 Q N -0.606 119.177 119.800 -0.027 0.000 2.181 479 Q HA -0.246 4.093 4.340 -0.002 0.000 0.205 479 Q C 1.421 177.406 176.000 -0.025 0.000 0.980 479 Q CA 1.858 57.651 55.803 -0.016 0.000 0.862 479 Q CB -0.077 28.645 28.738 -0.027 0.000 0.905 479 Q HN 0.589 nan 8.270 nan 0.000 0.429 480 D N -0.559 119.800 120.400 -0.069 0.000 2.309 480 D HA -0.132 4.507 4.640 -0.002 0.000 0.212 480 D C 0.543 176.626 176.300 -0.361 0.000 0.968 480 D CA 0.869 54.730 54.000 -0.232 0.000 0.882 480 D CB -0.095 40.495 40.800 -0.349 0.000 0.918 480 D HN 0.279 nan 8.370 nan 0.000 0.503 481 F N -0.100 119.818 119.950 -0.053 0.000 2.639 481 F HA 0.274 4.800 4.527 -0.001 0.000 0.300 481 F C 2.227 178.004 175.800 -0.038 0.000 1.109 481 F CA -0.468 57.508 58.000 -0.041 0.000 1.335 481 F CB 0.073 39.054 39.000 -0.030 0.000 1.014 481 F HN -0.130 nan 8.300 nan 0.000 0.537 482 G N 0.847 109.687 108.800 0.066 0.000 2.547 482 G HA2 -0.379 3.580 3.960 -0.002 0.000 0.221 482 G HA3 -0.379 3.580 3.960 -0.002 0.000 0.221 482 G C 1.960 176.878 174.900 0.031 0.000 1.140 482 G CA 1.154 46.275 45.100 0.033 0.000 0.760 482 G HN 0.445 nan 8.290 nan 0.000 0.583 483 A N 0.260 123.093 122.820 0.021 0.000 1.972 483 A HA 0.119 4.438 4.320 -0.002 0.000 0.219 483 A C 2.406 180.014 177.584 0.040 0.000 1.169 483 A CA 1.322 53.370 52.037 0.017 0.000 0.635 483 A CB -0.330 18.671 19.000 0.001 0.000 0.810 483 A HN 0.392 nan 8.150 nan 0.000 0.446 484 L N -0.634 120.634 121.223 0.076 0.000 2.376 484 L HA -0.044 4.295 4.340 -0.002 0.000 0.219 484 L C 1.944 178.886 176.870 0.121 0.000 1.133 484 L CA 0.430 55.328 54.840 0.098 0.000 0.816 484 L CB -0.239 41.900 42.059 0.134 0.000 0.933 484 L HN 0.381 nan 8.230 nan 0.000 0.449 485 L N -1.047 120.231 121.223 0.092 0.000 2.492 485 L HA 0.045 4.384 4.340 -0.002 0.000 0.223 485 L C 0.718 177.589 176.870 0.001 0.000 1.132 485 L CA 0.205 55.080 54.840 0.059 0.000 0.850 485 L CB -0.149 41.913 42.059 0.005 0.000 0.966 485 L HN 0.244 nan 8.230 nan 0.000 0.454 486 E N 0.530 120.739 120.200 0.014 0.000 2.280 486 E HA 0.152 4.501 4.350 -0.002 0.000 0.264 486 E C -0.237 176.365 176.600 0.003 0.000 1.064 486 E CA -0.613 55.782 56.400 -0.008 0.000 0.900 486 E CB 1.133 30.829 29.700 -0.006 0.000 1.123 486 E HN 0.055 nan 8.360 nan 0.000 0.418 487 E N 1.384 121.578 120.200 -0.010 0.000 2.413 487 E HA -0.092 4.257 4.350 -0.002 0.000 0.263 487 E C -0.635 175.957 176.600 -0.014 0.000 1.015 487 E CA -0.144 56.244 56.400 -0.020 0.000 0.916 487 E CB 0.563 30.275 29.700 0.021 0.000 0.947 487 E HN 0.209 nan 8.360 nan 0.000 0.440 488 Q N 2.453 122.219 119.800 -0.056 0.000 2.256 488 Q HA 0.061 4.400 4.340 -0.002 0.000 0.254 488 Q C 0.392 176.407 176.000 0.025 0.000 0.916 488 Q CA -0.076 55.713 55.803 -0.024 0.000 0.932 488 Q CB 1.838 30.549 28.738 -0.045 0.000 1.207 488 Q HN 0.675 nan 8.270 nan 0.000 0.426 489 S N 3.045 118.769 115.700 0.039 0.000 2.345 489 S HA -0.032 4.437 4.470 -0.002 0.000 0.219 489 S C 0.421 175.063 174.600 0.071 0.000 1.031 489 S CA 1.053 59.291 58.200 0.062 0.000 0.984 489 S CB 0.329 63.551 63.200 0.038 0.000 0.874 489 S HN 0.444 nan 8.310 nan 0.000 0.451 490 K N 1.642 122.069 120.400 0.044 0.000 2.126 490 K HA 0.267 4.586 4.320 -0.002 0.000 0.257 490 K C -0.326 176.303 176.600 0.049 0.000 1.007 490 K CA -0.188 56.125 56.287 0.042 0.000 0.928 490 K CB 0.663 33.175 32.500 0.019 0.000 1.013 490 K HN 0.371 nan 8.250 nan 0.000 0.473 491 E N 2.531 122.767 120.200 0.059 0.000 2.289 491 E HA 0.189 4.538 4.350 -0.002 0.000 0.278 491 E C -0.137 176.461 176.600 -0.003 0.000 1.032 491 E CA -0.140 56.296 56.400 0.061 0.000 0.854 491 E CB 0.602 30.359 29.700 0.095 0.000 1.046 491 E HN 0.393 nan 8.360 nan 0.000 0.409 492 I N -1.331 119.205 120.570 -0.058 0.000 3.343 492 I HA 0.595 4.764 4.170 -0.002 0.000 0.315 492 I C -0.333 175.651 176.117 -0.222 0.000 1.153 492 I CA -0.999 60.243 61.300 -0.096 0.000 0.952 492 I CB 2.083 40.046 38.000 -0.062 0.000 1.287 492 I HN 0.424 nan 8.210 nan 0.000 0.472 493 S N -0.775 114.814 115.700 -0.184 0.000 2.689 493 S HA 0.412 4.881 4.470 -0.002 0.000 0.306 493 S C 0.751 175.272 174.600 -0.132 0.000 1.104 493 S CA 0.152 58.207 58.200 -0.242 0.000 0.973 493 S CB 1.347 64.463 63.200 -0.140 0.000 1.121 493 S HN 0.870 nan 8.310 nan 0.000 0.523 494 T N -2.051 112.440 114.554 -0.104 0.000 3.035 494 T HA -0.018 4.331 4.350 -0.002 0.000 0.268 494 T C 1.481 176.209 174.700 0.047 0.000 1.109 494 T CA 1.448 63.540 62.100 -0.013 0.000 1.119 494 T CB -1.020 67.852 68.868 0.007 0.000 0.900 494 T HN 0.613 nan 8.240 nan 0.000 0.503 495 T N 1.967 116.548 114.554 0.044 0.000 2.851 495 T HA 0.243 4.592 4.350 -0.002 0.000 0.262 495 T C 1.866 176.659 174.700 0.155 0.000 1.043 495 T CA 0.646 62.823 62.100 0.128 0.000 1.140 495 T CB -0.311 68.630 68.868 0.122 0.000 0.872 495 T HN 0.362 nan 8.240 nan 0.000 0.446 496 I N 1.499 122.103 120.570 0.057 0.000 2.286 496 I HA -0.178 3.990 4.170 -0.002 0.000 0.248 496 I C 2.869 178.990 176.117 0.007 0.000 1.115 496 I CA 0.977 62.288 61.300 0.017 0.000 1.392 496 I CB -0.402 37.587 38.000 -0.019 0.000 1.065 496 I HN 0.196 nan 8.210 nan 0.000 0.418 497 A N 0.876 123.711 122.820 0.026 0.000 1.902 497 A HA -0.262 4.057 4.320 -0.002 0.000 0.217 497 A C 2.215 179.821 177.584 0.037 0.000 1.181 497 A CA 1.505 53.559 52.037 0.028 0.000 0.623 497 A CB -0.934 18.089 19.000 0.038 0.000 0.818 497 A HN 0.492 nan 8.150 nan 0.000 0.443 498 F N 0.992 120.918 119.950 -0.040 0.000 2.102 498 F HA -0.156 4.371 4.527 -0.001 0.000 0.298 498 F C 2.084 177.834 175.800 -0.083 0.000 1.105 498 F CA 2.039 60.004 58.000 -0.060 0.000 1.239 498 F CB -0.645 38.324 39.000 -0.052 0.000 0.991 498 F HN 0.008 nan 8.300 nan 0.000 0.474 499 V N 1.303 120.921 119.914 -0.493 0.000 2.407 499 V HA -0.284 3.835 4.120 -0.002 0.000 0.248 499 V C 2.572 178.433 176.094 -0.388 0.000 1.055 499 V CA 2.309 64.263 62.300 -0.577 0.000 1.049 499 V CB -0.753 30.937 31.823 -0.223 0.000 0.662 499 V HN 0.320 nan 8.190 nan 0.000 0.455 500 R N 0.012 120.382 120.500 -0.216 0.000 2.092 500 R HA -0.066 4.273 4.340 -0.002 0.000 0.231 500 R C 2.411 178.641 176.300 -0.116 0.000 1.119 500 R CA 1.333 57.353 56.100 -0.134 0.000 0.970 500 R CB -0.512 29.752 30.300 -0.061 0.000 0.864 500 R HN 0.538 nan 8.270 nan 0.000 0.440 501 A N 1.094 123.847 122.820 -0.111 0.000 1.930 501 A HA -0.135 4.184 4.320 -0.002 0.000 0.217 501 A C 2.027 179.549 177.584 -0.103 0.000 1.175 501 A CA 0.908 52.970 52.037 0.041 0.000 0.627 501 A CB -0.356 18.657 19.000 0.022 0.000 0.815 501 A HN 0.185 nan 8.150 nan 0.000 0.443 502 L N 0.575 121.544 121.223 -0.424 0.000 2.046 502 L HA -0.143 4.196 4.340 -0.002 0.000 0.208 502 L C 1.931 178.620 176.870 -0.302 0.000 1.077 502 L CA 1.882 56.404 54.840 -0.530 0.000 0.747 502 L CB -0.850 40.738 42.059 -0.785 0.000 0.896 502 L HN 0.359 nan 8.230 nan 0.000 0.432 503 N N -0.696 117.854 118.700 -0.250 0.000 2.223 503 N HA -0.148 4.591 4.740 -0.002 0.000 0.185 503 N C 1.840 177.255 175.510 -0.159 0.000 1.016 503 N CA 1.569 54.516 53.050 -0.172 0.000 0.863 503 N CB -0.107 38.294 38.487 -0.145 0.000 0.983 503 N HN 0.261 nan 8.380 nan 0.000 0.429 504 V N 1.523 121.331 119.914 -0.177 0.000 2.490 504 V HA -0.173 3.946 4.120 -0.002 0.000 0.250 504 V C 2.266 178.205 176.094 -0.258 0.000 1.061 504 V CA 1.278 63.416 62.300 -0.269 0.000 1.064 504 V CB -0.320 31.220 31.823 -0.472 0.000 0.670 504 V HN 0.290 nan 8.190 nan 0.000 0.461 505 M N -0.982 118.519 119.600 -0.166 0.000 2.288 505 M HA -0.030 4.449 4.480 -0.002 0.000 0.266 505 M C 1.922 178.172 176.300 -0.083 0.000 1.072 505 M CA 1.576 56.821 55.300 -0.093 0.000 1.132 505 M CB -0.276 32.296 32.600 -0.046 0.000 1.386 505 M HN 0.232 nan 8.290 nan 0.000 0.432 506 L N -0.149 121.014 121.223 -0.100 0.000 2.551 506 L HA -0.107 4.232 4.340 -0.002 0.000 0.228 506 L C 2.259 179.091 176.870 -0.064 0.000 1.153 506 L CA 0.746 55.545 54.840 -0.068 0.000 0.851 506 L CB -0.382 41.636 42.059 -0.069 0.000 0.959 506 L HN 0.254 nan 8.230 nan 0.000 0.451 507 K N -0.227 120.121 120.400 -0.087 0.000 2.352 507 K HA 0.018 4.337 4.320 -0.002 0.000 0.194 507 K C 0.764 177.322 176.600 -0.071 0.000 1.038 507 K CA -0.155 56.084 56.287 -0.081 0.000 1.023 507 K CB 0.336 32.772 32.500 -0.107 0.000 0.840 507 K HN 0.168 nan 8.250 nan 0.000 0.519 508 N N 2.119 120.778 118.700 -0.069 0.000 2.442 508 N HA -0.057 4.682 4.740 -0.002 0.000 0.265 508 N C 0.636 176.131 175.510 -0.025 0.000 1.138 508 N CA 0.302 53.324 53.050 -0.046 0.000 0.956 508 N CB 1.257 39.724 38.487 -0.033 0.000 1.067 508 N HN 0.068 nan 8.380 nan 0.000 0.474 509 K N 2.550 122.939 120.400 -0.019 0.000 2.103 509 K HA -0.148 4.171 4.320 -0.002 0.000 0.207 509 K C 1.548 178.146 176.600 -0.004 0.000 1.048 509 K CA 1.212 57.492 56.287 -0.012 0.000 0.930 509 K CB -0.046 32.449 32.500 -0.008 0.000 0.716 509 K HN 0.494 nan 8.250 nan 0.000 0.444 510 S N 0.765 116.468 115.700 0.005 0.000 2.368 510 S HA -0.080 4.389 4.470 -0.002 0.000 0.224 510 S C 1.849 176.452 174.600 0.005 0.000 1.029 510 S CA 1.289 59.497 58.200 0.013 0.000 0.988 510 S CB -0.177 63.041 63.200 0.031 0.000 0.838 510 S HN 0.518 nan 8.310 nan 0.000 0.462 511 I N -1.146 119.427 120.570 0.004 0.000 4.139 511 I HA 0.304 4.473 4.170 -0.002 0.000 0.335 511 I C 1.739 177.856 176.117 -0.000 0.000 1.327 511 I CA 0.008 61.305 61.300 -0.006 0.000 1.112 511 I CB -0.225 37.778 38.000 0.004 0.000 1.058 511 I HN 0.135 nan 8.210 nan 0.000 0.396 512 K N 1.482 121.879 120.400 -0.004 0.000 2.089 512 K HA -0.222 4.097 4.320 -0.002 0.000 0.210 512 K C 0.905 177.510 176.600 0.008 0.000 1.048 512 K CA 2.368 58.652 56.287 -0.004 0.000 0.926 512 K CB -0.492 31.999 32.500 -0.015 0.000 0.714 512 K HN 0.324 nan 8.250 nan 0.000 0.448 513 D N -0.054 120.345 120.400 -0.001 0.000 2.349 513 D HA 0.015 4.654 4.640 -0.002 0.000 0.215 513 D C 1.476 177.781 176.300 0.008 0.000 1.016 513 D CA 0.249 54.248 54.000 -0.003 0.000 0.870 513 D CB 0.271 41.055 40.800 -0.026 0.000 0.917 513 D HN 0.220 nan 8.370 nan 0.000 0.524 514 R N 0.181 120.687 120.500 0.010 0.000 2.276 514 R HA 0.176 4.515 4.340 -0.002 0.000 0.196 514 R C 0.879 177.220 176.300 0.068 0.000 0.961 514 R CA -0.070 56.036 56.100 0.010 0.000 1.024 514 R CB -0.077 30.183 30.300 -0.066 0.000 0.940 514 R HN 0.210 nan 8.270 nan 0.000 0.480 515 L N 1.293 122.578 121.223 0.103 0.000 2.456 515 L HA 0.133 4.471 4.340 -0.002 0.000 0.272 515 L C 0.140 177.163 176.870 0.256 0.000 1.189 515 L CA -0.132 54.828 54.840 0.200 0.000 0.846 515 L CB 0.714 42.874 42.059 0.168 0.000 1.111 515 L HN -0.281 nan 8.230 nan 0.000 0.475 516 V N 3.457 123.567 119.914 0.326 0.000 2.380 516 V HA 0.256 4.375 4.120 -0.002 0.000 0.268 516 V C -2.344 173.970 176.094 0.367 0.000 1.008 516 V CA -1.408 61.083 62.300 0.319 0.000 0.823 516 V CB 1.187 33.169 31.823 0.266 0.000 1.053 516 V HN 0.601 nan 8.190 nan 0.000 0.446 517 P HA 0.444 nan 4.420 nan 0.000 0.276 517 P C -0.581 176.925 177.300 0.344 0.000 1.235 517 P CA 0.113 63.444 63.100 0.385 0.000 0.772 517 P CB 0.831 32.705 31.700 0.290 0.000 0.871 518 I N 4.448 125.257 120.570 0.399 0.000 2.545 518 I HA 0.518 4.687 4.170 -0.002 0.000 0.292 518 I C 0.162 176.537 176.117 0.430 0.000 1.040 518 I CA -0.970 60.525 61.300 0.325 0.000 1.068 518 I CB 1.709 39.842 38.000 0.221 0.000 1.251 518 I HN 0.237 nan 8.210 nan 0.000 0.424 519 I N 1.717 122.499 120.570 0.354 0.000 2.828 519 I HA 0.872 5.041 4.170 -0.002 0.000 0.302 519 I C -0.611 175.721 176.117 0.359 0.000 1.101 519 I CA -0.910 60.642 61.300 0.420 0.000 1.031 519 I CB 2.422 40.666 38.000 0.408 0.000 1.231 519 I HN 0.569 nan 8.210 nan 0.000 0.427 520 A N 3.143 126.225 122.820 0.437 0.000 2.801 520 A HA 0.529 4.848 4.320 -0.002 0.000 0.344 520 A C 0.238 178.016 177.584 0.322 0.000 1.322 520 A CA 0.164 52.401 52.037 0.334 0.000 0.913 520 A CB -0.172 19.059 19.000 0.385 0.000 1.140 520 A HN 1.030 nan 8.150 nan 0.000 0.487 521 D N 0.811 121.365 120.400 0.257 0.000 4.286 521 D HA -0.197 4.442 4.640 -0.002 0.000 0.203 521 D C 0.194 176.664 176.300 0.283 0.000 1.071 521 D CA 2.284 56.422 54.000 0.230 0.000 2.291 521 D CB -1.243 39.676 40.800 0.199 0.000 1.164 521 D HN 0.600 nan 8.370 nan 0.000 0.407 522 E N 1.043 121.450 120.200 0.345 0.000 2.406 522 E HA 0.384 4.733 4.350 -0.002 0.000 0.258 522 E C 0.492 177.336 176.600 0.406 0.000 1.043 522 E CA 0.721 57.321 56.400 0.334 0.000 0.929 522 E CB 1.121 31.035 29.700 0.357 0.000 0.969 522 E HN 0.458 nan 8.360 nan 0.000 0.462 523 A N 4.487 127.497 122.820 0.316 0.000 1.971 523 A HA 0.051 4.370 4.320 -0.002 0.000 0.200 523 A C 1.874 179.539 177.584 0.135 0.000 1.658 523 A CA -0.035 52.205 52.037 0.338 0.000 0.962 523 A CB 0.121 19.419 19.000 0.497 0.000 1.053 523 A HN 0.460 nan 8.150 nan 0.000 0.533 524 R N 0.029 120.565 120.500 0.061 0.000 2.117 524 R HA -0.110 4.228 4.340 -0.002 0.000 0.243 524 R C 1.957 178.190 176.300 -0.112 0.000 1.143 524 R CA 1.920 58.002 56.100 -0.029 0.000 0.968 524 R CB -0.639 29.660 30.300 -0.001 0.000 0.863 524 R HN 0.486 nan 8.270 nan 0.000 0.444 525 T N 0.203 114.617 114.554 -0.233 0.000 2.881 525 T HA -0.103 4.246 4.350 -0.002 0.000 0.270 525 T C 0.778 175.093 174.700 -0.642 0.000 1.068 525 T CA 1.142 62.940 62.100 -0.504 0.000 1.131 525 T CB -0.083 68.309 68.868 -0.793 0.000 0.871 525 T HN 0.124 nan 8.240 nan 0.000 0.479 526 F N 0.188 120.116 119.950 -0.036 0.000 2.653 526 F HA 0.435 4.960 4.527 -0.002 0.000 0.304 526 F C 1.701 177.498 175.800 -0.006 0.000 1.092 526 F CA -0.861 57.122 58.000 -0.030 0.000 1.279 526 F CB -0.401 38.594 39.000 -0.008 0.000 1.044 526 F HN 0.168 nan 8.300 nan 0.000 0.564 527 G N 0.702 109.532 108.800 0.051 0.000 2.249 527 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.273 527 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.273 527 G C 1.021 175.905 174.900 -0.028 0.000 1.036 527 G CA 0.493 45.589 45.100 -0.007 0.000 0.824 527 G HN 0.196 nan 8.290 nan 0.000 0.504 528 M N 0.186 119.776 119.600 -0.017 0.000 2.541 528 M HA 0.052 4.531 4.480 -0.002 0.000 0.252 528 M C 2.399 178.419 176.300 -0.466 0.000 1.125 528 M CA 1.245 56.498 55.300 -0.078 0.000 1.091 528 M CB -0.373 32.305 32.600 0.131 0.000 1.420 528 M HN 0.632 nan 8.290 nan 0.000 0.486 529 E N 0.289 120.112 120.200 -0.628 0.000 2.209 529 E HA -0.154 4.195 4.350 -0.002 0.000 0.196 529 E C 1.762 177.921 176.600 -0.736 0.000 0.993 529 E CA 1.751 57.462 56.400 -1.147 0.000 0.819 529 E CB -0.881 28.498 29.700 -0.536 0.000 0.745 529 E HN 0.453 nan 8.360 nan 0.000 0.477 530 G N 1.645 110.228 108.800 -0.363 0.000 2.422 530 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.218 530 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.218 530 G C 1.776 176.603 174.900 -0.122 0.000 1.140 530 G CA 0.623 45.612 45.100 -0.185 0.000 0.775 530 G HN 0.236 nan 8.290 nan 0.000 0.545 531 L N -0.132 121.007 121.223 -0.140 0.000 2.191 531 L HA -0.007 4.332 4.340 -0.002 0.000 0.212 531 L C 2.563 179.550 176.870 0.194 0.000 1.103 531 L CA 0.292 55.140 54.840 0.014 0.000 0.769 531 L CB -0.389 41.697 42.059 0.044 0.000 0.908 531 L HN 0.073 nan 8.230 nan 0.000 0.438 532 F N 0.701 120.676 119.950 0.042 0.000 2.120 532 F HA -0.224 4.301 4.527 -0.003 0.000 0.300 532 F C 2.662 178.484 175.800 0.037 0.000 1.095 532 F CA 1.159 59.190 58.000 0.050 0.000 1.249 532 F CB -1.083 37.949 39.000 0.053 0.000 0.995 532 F HN 0.099 nan 8.300 nan 0.000 0.480 533 R N 0.174 120.809 120.500 0.225 0.000 2.075 533 R HA -0.150 4.189 4.340 -0.002 0.000 0.232 533 R C 2.054 178.407 176.300 0.089 0.000 1.126 533 R CA 1.451 57.625 56.100 0.124 0.000 0.963 533 R CB -0.645 29.699 30.300 0.075 0.000 0.858 533 R HN 0.428 nan 8.270 nan 0.000 0.435 534 Q N 0.790 120.638 119.800 0.080 0.000 1.994 534 Q HA -0.057 4.281 4.340 -0.002 0.000 0.198 534 Q C 2.206 178.244 176.000 0.063 0.000 0.976 534 Q CA 1.553 57.388 55.803 0.053 0.000 0.828 534 Q CB -0.075 28.681 28.738 0.029 0.000 0.894 534 Q HN 0.501 nan 8.270 nan 0.000 0.432 535 I N -3.636 116.990 120.570 0.094 0.000 4.057 535 I HA 0.430 4.599 4.170 -0.002 0.000 0.334 535 I C 0.777 176.960 176.117 0.110 0.000 1.308 535 I CA 0.152 61.508 61.300 0.093 0.000 1.125 535 I CB 0.166 38.226 38.000 0.099 0.000 1.034 535 I HN 0.183 nan 8.210 nan 0.000 0.401 536 G N 2.654 111.531 108.800 0.130 0.000 2.860 536 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.553 536 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.553 536 G C -0.984 173.956 174.900 0.067 0.000 1.439 536 G CA -0.394 44.759 45.100 0.088 0.000 0.879 536 G HN 0.206 nan 8.290 nan 0.000 0.545 537 I N 0.376 120.933 120.570 -0.021 0.000 2.336 537 I HA 0.371 4.540 4.170 -0.002 0.000 0.292 537 I C 0.371 176.540 176.117 0.088 0.000 0.991 537 I CA -0.866 60.418 61.300 -0.026 0.000 1.227 537 I CB 1.407 39.286 38.000 -0.201 0.000 1.366 537 I HN 0.559 nan 8.210 nan 0.000 0.466 538 Y N 6.257 126.595 120.300 0.062 0.000 2.677 538 Y HA 0.272 4.821 4.550 -0.002 0.000 0.335 538 Y C 0.449 176.375 175.900 0.043 0.000 1.162 538 Y CA 0.221 58.386 58.100 0.108 0.000 1.483 538 Y CB 0.385 38.999 38.460 0.257 0.000 1.209 538 Y HN 0.542 nan 8.280 nan 0.000 0.528 539 S N 8.687 124.152 115.700 -0.392 0.000 2.356 539 S HA 0.417 4.886 4.470 -0.002 0.000 0.171 539 S C -2.774 171.554 174.600 -0.453 0.000 1.399 539 S CA -1.228 56.727 58.200 -0.409 0.000 1.225 539 S CB 0.064 63.144 63.200 -0.200 0.000 1.271 539 S HN 0.536 nan 8.310 nan 0.000 0.427 559 D N -0.098 120.262 120.400 -0.066 0.000 2.798 559 D HA 0.118 4.757 4.640 -0.002 0.000 0.308 559 D C 0.873 177.101 176.300 -0.120 0.000 1.187 559 D CA -0.474 53.464 54.000 -0.103 0.000 1.033 559 D CB 0.130 40.886 40.800 -0.073 0.000 1.445 559 D HN 0.198 nan 8.370 nan 0.000 0.550 560 E N -0.548 119.549 120.200 -0.172 0.000 2.401 560 E HA -0.135 4.214 4.350 -0.002 0.000 0.199 560 E C 0.901 177.554 176.600 0.089 0.000 1.023 560 E CA 0.659 56.951 56.400 -0.181 0.000 0.859 560 E CB -0.195 29.264 29.700 -0.401 0.000 0.780 560 E HN 0.184 nan 8.360 nan 0.000 0.523 561 K N 1.081 121.511 120.400 0.049 0.000 2.367 561 K HA 0.126 4.445 4.320 -0.002 0.000 0.194 561 K C 0.882 177.537 176.600 0.091 0.000 1.027 561 K CA 0.479 56.797 56.287 0.052 0.000 1.075 561 K CB 0.680 33.184 32.500 0.007 0.000 0.845 561 K HN 0.158 nan 8.250 nan 0.000 0.529 562 G N 1.539 110.431 108.800 0.153 0.000 2.414 562 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.236 562 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.236 562 G C 0.520 175.581 174.900 0.268 0.000 1.293 562 G CA -0.094 45.111 45.100 0.176 0.000 0.869 562 G HN 0.236 nan 8.290 nan 0.000 0.556 563 Q N 1.328 121.257 119.800 0.216 0.000 2.297 563 Q HA 0.137 4.476 4.340 -0.002 0.000 0.203 563 Q C 0.949 177.154 176.000 0.342 0.000 0.931 563 Q CA 0.070 56.032 55.803 0.264 0.000 0.885 563 Q CB 0.061 28.901 28.738 0.170 0.000 0.991 563 Q HN 0.659 nan 8.270 nan 0.000 0.498 564 I N 2.083 122.813 120.570 0.268 0.000 2.474 564 I HA 0.067 4.236 4.170 -0.002 0.000 0.287 564 I C -0.455 175.798 176.117 0.226 0.000 1.048 564 I CA -0.237 61.211 61.300 0.245 0.000 1.383 564 I CB 0.970 39.113 38.000 0.237 0.000 1.412 564 I HN 0.124 nan 8.210 nan 0.000 0.531 565 L N 6.183 127.512 121.223 0.176 0.000 2.257 565 L HA 0.292 4.631 4.340 -0.002 0.000 0.290 565 L C -0.163 176.799 176.870 0.153 0.000 1.044 565 L CA -0.519 54.406 54.840 0.143 0.000 0.810 565 L CB 1.008 43.087 42.059 0.034 0.000 1.193 565 L HN 0.550 nan 8.230 nan 0.000 0.425 566 Q N 3.065 122.950 119.800 0.142 0.000 2.398 566 Q HA 0.150 4.489 4.340 -0.002 0.000 0.251 566 Q C -0.005 176.067 176.000 0.120 0.000 0.999 566 Q CA -0.028 55.849 55.803 0.125 0.000 0.874 566 Q CB 1.034 29.810 28.738 0.063 0.000 1.215 566 Q HN 0.408 nan 8.270 nan 0.000 0.470 567 E N 3.182 123.451 120.200 0.115 0.000 2.463 567 E HA 0.227 4.576 4.350 -0.002 0.000 0.193 567 E C 0.604 177.262 176.600 0.098 0.000 1.041 567 E CA 0.483 56.944 56.400 0.102 0.000 0.879 567 E CB 0.224 29.936 29.700 0.020 0.000 0.997 567 E HN 0.924 nan 8.360 nan 0.000 0.478 568 G N 1.991 110.858 108.800 0.112 0.000 2.698 568 G HA2 -0.302 3.656 3.960 -0.002 0.000 0.233 568 G HA3 -0.302 3.656 3.960 -0.002 0.000 0.233 568 G C 0.071 175.035 174.900 0.107 0.000 1.352 568 G CA -0.324 44.838 45.100 0.104 0.000 0.879 568 G HN 0.247 nan 8.290 nan 0.000 0.567 569 I N 2.090 122.709 120.570 0.082 0.000 2.352 569 I HA 0.234 4.403 4.170 -0.002 0.000 0.303 569 I C 0.559 176.690 176.117 0.024 0.000 1.194 569 I CA 0.207 61.544 61.300 0.061 0.000 1.518 569 I CB -0.344 37.676 38.000 0.032 0.000 1.489 569 I HN 0.426 nan 8.210 nan 0.000 0.702 570 N N 3.893 122.610 118.700 0.028 0.000 2.976 570 N HA 0.080 4.819 4.740 -0.002 0.000 0.220 570 N C 0.394 175.871 175.510 -0.055 0.000 1.428 570 N CA -0.143 52.895 53.050 -0.019 0.000 0.748 570 N CB 0.715 39.201 38.487 -0.001 0.000 1.484 570 N HN 0.209 nan 8.380 nan 0.000 0.578 571 E N 1.313 121.492 120.200 -0.034 0.000 2.106 571 E HA 0.006 4.355 4.350 -0.002 0.000 0.192 571 E C 1.656 178.166 176.600 -0.151 0.000 0.984 571 E CA 0.719 57.105 56.400 -0.023 0.000 0.806 571 E CB 0.242 29.944 29.700 0.004 0.000 0.750 571 E HN 0.536 nan 8.360 nan 0.000 0.458 572 L N -0.036 121.097 121.223 -0.150 0.000 2.046 572 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 572 L C 2.219 178.898 176.870 -0.318 0.000 1.077 572 L CA 1.661 56.395 54.840 -0.178 0.000 0.747 572 L CB -0.746 41.249 42.059 -0.107 0.000 0.896 572 L HN 0.330 nan 8.230 nan 0.000 0.432 573 G N -0.942 107.618 108.800 -0.399 0.000 2.421 573 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.216 573 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.216 573 G C 1.691 176.011 174.900 -0.968 0.000 1.171 573 G CA 0.792 45.327 45.100 -0.941 0.000 0.775 573 G HN 0.531 nan 8.290 nan 0.000 0.543 574 A N 0.938 123.395 122.820 -0.605 0.000 1.908 574 A HA 0.097 4.416 4.320 -0.002 0.000 0.218 574 A C 2.732 179.853 177.584 -0.772 0.000 1.181 574 A CA 2.235 53.845 52.037 -0.710 0.000 0.627 574 A CB -1.180 17.274 19.000 -0.911 0.000 0.818 574 A HN 0.591 nan 8.150 nan 0.000 0.445 575 G N -1.169 107.260 108.800 -0.619 0.000 2.442 575 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.219 575 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.219 575 G C 1.533 176.345 174.900 -0.147 0.000 1.141 575 G CA 1.319 46.218 45.100 -0.335 0.000 0.763 575 G HN 0.537 nan 8.290 nan 0.000 0.554 576 C N 0.278 119.417 119.300 -0.268 0.000 2.450 576 C HA 0.087 4.546 4.460 -0.002 0.000 0.279 576 C C 3.353 178.294 174.990 -0.082 0.000 1.335 576 C CA 1.026 59.962 59.018 -0.136 0.000 1.749 576 C CB -0.696 26.948 27.740 -0.159 0.000 1.963 576 C HN 0.403 nan 8.230 nan 0.000 0.501 577 S N -0.576 115.011 115.700 -0.188 0.000 2.355 577 S HA -0.202 4.267 4.470 -0.002 0.000 0.222 577 S C 1.442 175.955 174.600 -0.145 0.000 1.031 577 S CA 1.339 59.494 58.200 -0.075 0.000 0.993 577 S CB -0.408 62.768 63.200 -0.039 0.000 0.859 577 S HN 0.832 nan 8.310 nan 0.000 0.453 578 W N 2.108 123.230 121.300 -0.296 0.000 2.338 578 W HA -0.153 4.506 4.660 -0.002 0.000 0.304 578 W C 1.813 178.203 176.519 -0.214 0.000 1.212 578 W CA 1.094 58.308 57.345 -0.219 0.000 1.264 578 W CB -0.447 28.922 29.460 -0.152 0.000 1.142 578 W HN 0.268 nan 8.180 nan 0.000 0.512 579 L N 1.559 122.820 121.223 0.064 0.000 2.093 579 L HA 0.003 4.342 4.340 -0.002 0.000 0.208 579 L C 2.424 179.145 176.870 -0.247 0.000 1.085 579 L CA 2.639 57.419 54.840 -0.100 0.000 0.755 579 L CB -1.416 40.715 42.059 0.119 0.000 0.904 579 L HN 0.067 nan 8.230 nan 0.000 0.435 580 A N -0.504 122.159 122.820 -0.262 0.000 1.902 580 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 580 A C 2.442 179.556 177.584 -0.784 0.000 1.181 580 A CA 1.709 53.532 52.037 -0.356 0.000 0.623 580 A CB -1.092 17.742 19.000 -0.276 0.000 0.818 580 A HN 0.560 nan 8.150 nan 0.000 0.443 581 A N -0.108 122.044 122.820 -1.114 0.000 1.873 581 A HA 0.216 4.535 4.320 -0.002 0.000 0.215 581 A C 2.435 179.731 177.584 -0.481 0.000 1.186 581 A CA 1.854 53.261 52.037 -1.050 0.000 0.616 581 A CB -1.016 17.566 19.000 -0.697 0.000 0.823 581 A HN 1.114 nan 8.150 nan 0.000 0.442 582 A N -0.558 121.913 122.820 -0.582 0.000 2.178 582 A HA 0.029 4.348 4.320 -0.002 0.000 0.218 582 A C 1.912 179.456 177.584 -0.067 0.000 1.157 582 A CA 2.069 53.834 52.037 -0.454 0.000 0.689 582 A CB -0.810 17.534 19.000 -1.094 0.000 0.787 582 A HN 0.816 nan 8.150 nan 0.000 0.465 583 T N -5.030 109.440 114.554 -0.141 0.000 3.091 583 T HA 0.198 4.547 4.350 -0.002 0.000 0.277 583 T C 1.415 175.973 174.700 -0.236 0.000 0.996 583 T CA 0.704 62.696 62.100 -0.180 0.000 0.897 583 T CB 0.096 68.882 68.868 -0.136 0.000 1.109 583 T HN 0.176 nan 8.240 nan 0.000 0.534 584 S N 1.559 117.217 115.700 -0.071 0.000 2.419 584 S HA -0.145 4.324 4.470 -0.002 0.000 0.233 584 S C 1.885 176.503 174.600 0.030 0.000 1.016 584 S CA 1.343 59.571 58.200 0.047 0.000 0.974 584 S CB -0.673 62.652 63.200 0.209 0.000 0.786 584 S HN 0.815 nan 8.310 nan 0.000 0.492 585 Y N 0.877 121.237 120.300 0.100 0.000 2.256 585 Y HA 0.036 4.585 4.550 -0.002 0.000 0.288 585 Y C 2.510 178.523 175.900 0.189 0.000 1.155 585 Y CA 1.495 59.680 58.100 0.143 0.000 1.203 585 Y CB -1.066 37.532 38.460 0.229 0.000 0.980 585 Y HN 0.310 nan 8.280 nan 0.000 0.530 586 S N -0.355 114.912 115.700 -0.722 0.000 2.398 586 S HA -0.078 4.391 4.470 -0.002 0.000 0.220 586 S C 1.905 176.394 174.600 -0.185 0.000 1.046 586 S CA 1.095 59.026 58.200 -0.448 0.000 0.953 586 S CB -0.896 61.898 63.200 -0.677 0.000 0.856 586 S HN 0.568 nan 8.310 nan 0.000 0.506 587 T N 2.883 117.332 114.554 -0.176 0.000 2.720 587 T HA -0.003 4.346 4.350 -0.002 0.000 0.268 587 T C 1.075 175.793 174.700 0.031 0.000 1.037 587 T CA 1.479 63.560 62.100 -0.032 0.000 1.144 587 T CB -0.280 68.632 68.868 0.072 0.000 0.864 587 T HN 0.468 nan 8.240 nan 0.000 0.444 588 N N 0.475 119.201 118.700 0.045 0.000 2.170 588 N HA 0.106 4.845 4.740 -0.002 0.000 0.222 588 N C 0.099 175.652 175.510 0.071 0.000 1.218 588 N CA -0.028 53.061 53.050 0.065 0.000 0.889 588 N CB 0.287 38.827 38.487 0.089 0.000 1.083 588 N HN 0.191 nan 8.380 nan 0.000 0.520 589 N N 0.878 119.631 118.700 0.088 0.000 2.721 589 N HA -0.218 4.521 4.740 -0.002 0.000 0.249 589 N C -1.218 174.377 175.510 0.141 0.000 1.072 589 N CA 0.320 53.459 53.050 0.148 0.000 0.710 589 N CB -1.202 37.359 38.487 0.123 0.000 0.993 589 N HN 0.333 nan 8.380 nan 0.000 0.547 590 L N 0.448 121.742 121.223 0.117 0.000 2.492 590 L HA 0.526 4.865 4.340 -0.002 0.000 0.258 590 L C -2.368 174.530 176.870 0.047 0.000 1.028 590 L CA -1.573 53.309 54.840 0.069 0.000 0.900 590 L CB 1.407 43.504 42.059 0.063 0.000 1.191 590 L HN -0.059 nan 8.230 nan 0.000 0.459 591 P HA 0.084 nan 4.420 nan 0.000 0.261 591 P C -0.971 176.227 177.300 -0.169 0.000 1.203 591 P CA 0.338 63.336 63.100 -0.170 0.000 0.767 591 P CB 0.538 31.820 31.700 -0.698 0.000 0.785 592 M N 4.187 123.739 119.600 -0.079 0.000 2.528 592 M HA 0.476 4.955 4.480 -0.002 0.000 0.321 592 M C 0.223 176.368 176.300 -0.259 0.000 1.153 592 M CA -0.835 54.412 55.300 -0.089 0.000 0.951 592 M CB 1.899 34.608 32.600 0.182 0.000 1.705 592 M HN 0.205 nan 8.290 nan 0.000 0.451 593 I N 4.316 124.756 120.570 -0.216 0.000 2.464 593 I HA 0.289 4.458 4.170 -0.002 0.000 0.277 593 I C -2.287 173.826 176.117 -0.006 0.000 1.040 593 I CA -1.610 59.551 61.300 -0.231 0.000 1.153 593 I CB 1.562 39.425 38.000 -0.229 0.000 1.274 593 I HN 0.227 nan 8.210 nan 0.000 0.469 594 P HA 0.318 nan 4.420 nan 0.000 0.290 594 P C -1.097 176.293 177.300 0.149 0.000 1.276 594 P CA -0.303 62.848 63.100 0.084 0.000 0.808 594 P CB 0.794 32.389 31.700 -0.175 0.000 0.966 595 F N 2.815 123.045 119.950 0.466 0.000 2.382 595 F HA 0.277 4.804 4.527 -0.001 0.000 0.361 595 F C 0.080 176.197 175.800 0.527 0.000 1.109 595 F CA -0.867 57.456 58.000 0.538 0.000 1.031 595 F CB 0.918 40.205 39.000 0.480 0.000 1.234 595 F HN 0.254 nan 8.300 nan 0.000 0.445 596 Y N 5.630 126.207 120.300 0.461 0.000 2.353 596 Y HA 0.608 5.157 4.550 -0.002 0.000 0.340 596 Y C -1.056 174.940 175.900 0.159 0.000 0.972 596 Y CA -2.214 56.052 58.100 0.277 0.000 1.157 596 Y CB 0.733 39.255 38.460 0.104 0.000 1.157 596 Y HN 0.594 nan 8.280 nan 0.000 0.495 597 I N 9.264 129.855 120.570 0.035 0.000 2.404 597 I HA 0.499 4.668 4.170 -0.002 0.000 0.293 597 I C -1.700 174.026 176.117 -0.652 0.000 0.992 597 I CA -0.712 60.259 61.300 -0.548 0.000 1.149 597 I CB 1.037 38.718 38.000 -0.532 0.000 1.315 597 I HN 0.692 nan 8.210 nan 0.000 0.446 598 Y N 3.843 123.602 120.300 -0.901 0.000 2.764 598 Y HA 0.449 4.998 4.550 -0.002 0.000 0.331 598 Y C -1.835 173.888 175.900 -0.296 0.000 1.280 598 Y CA -1.459 56.347 58.100 -0.491 0.000 1.065 598 Y CB 0.293 38.517 38.460 -0.393 0.000 1.319 598 Y HN 0.327 nan 8.280 nan 0.000 0.453 599 Y N 2.106 122.580 120.300 0.289 0.000 2.496 599 Y HA 0.175 4.724 4.550 -0.002 0.000 0.334 599 Y C 1.902 177.796 175.900 -0.010 0.000 1.080 599 Y CA 0.981 59.184 58.100 0.173 0.000 1.355 599 Y CB 1.206 39.756 38.460 0.150 0.000 1.193 599 Y HN 0.806 nan 8.280 nan 0.000 0.523 600 S N 2.320 117.985 115.700 -0.059 0.000 2.387 600 S HA -0.356 4.113 4.470 -0.002 0.000 0.230 600 S C 1.960 176.592 174.600 0.054 0.000 1.035 600 S CA 1.646 59.842 58.200 -0.007 0.000 1.014 600 S CB -0.378 62.818 63.200 -0.006 0.000 0.836 600 S HN 0.839 nan 8.310 nan 0.000 0.466 601 M N 1.102 120.602 119.600 -0.166 0.000 2.202 601 M HA 0.114 4.593 4.480 -0.002 0.000 0.262 601 M C 0.374 176.563 176.300 -0.185 0.000 1.063 601 M CA 1.340 56.458 55.300 -0.304 0.000 1.097 601 M CB -0.691 31.561 32.600 -0.580 0.000 1.382 601 M HN 0.333 nan 8.290 nan 0.000 0.413 602 F N -0.469 119.572 119.950 0.152 0.000 2.701 602 F HA 0.440 4.966 4.527 -0.002 0.000 0.295 602 F C 1.524 177.265 175.800 -0.098 0.000 1.165 602 F CA -0.393 57.639 58.000 0.053 0.000 1.399 602 F CB -1.639 37.403 39.000 0.070 0.000 0.996 602 F HN 0.107 nan 8.300 nan 0.000 0.513 603 G N -0.183 108.637 108.800 0.033 0.000 3.226 603 G HA2 0.057 4.016 3.960 -0.002 0.000 0.190 603 G HA3 0.057 4.016 3.960 -0.002 0.000 0.190 603 G C 1.109 175.798 174.900 -0.352 0.000 1.988 603 G CA -0.161 44.714 45.100 -0.376 0.000 0.859 603 G HN 0.117 nan 8.290 nan 0.000 0.631 604 F N 0.911 120.764 119.950 -0.161 0.000 2.147 604 F HA -0.138 4.388 4.527 -0.001 0.000 0.301 604 F C 2.917 178.697 175.800 -0.033 0.000 1.084 604 F CA 1.867 59.798 58.000 -0.115 0.000 1.268 604 F CB -0.309 38.599 39.000 -0.154 0.000 1.009 604 F HN 0.318 nan 8.300 nan 0.000 0.486 605 Q N 0.321 120.218 119.800 0.161 0.000 2.084 605 Q HA -0.242 4.097 4.340 -0.002 0.000 0.202 605 Q C 2.290 178.355 176.000 0.108 0.000 0.978 605 Q CA 1.642 57.537 55.803 0.153 0.000 0.844 605 Q CB -0.020 28.832 28.738 0.190 0.000 0.898 605 Q HN 0.190 nan 8.270 nan 0.000 0.426 606 R N 0.536 121.086 120.500 0.083 0.000 2.156 606 R HA 0.094 4.433 4.340 -0.002 0.000 0.207 606 R C 1.394 177.687 176.300 -0.011 0.000 1.040 606 R CA 1.181 57.311 56.100 0.050 0.000 1.013 606 R CB 0.148 30.498 30.300 0.084 0.000 0.931 606 R HN 0.495 nan 8.270 nan 0.000 0.465 607 I N -3.413 117.120 120.570 -0.063 0.000 3.569 607 I HA 0.526 4.695 4.170 -0.002 0.000 0.334 607 I C 0.976 177.065 176.117 -0.048 0.000 1.570 607 I CA -0.220 61.031 61.300 -0.083 0.000 1.082 607 I CB 0.876 38.779 38.000 -0.161 0.000 1.323 607 I HN 0.036 nan 8.210 nan 0.000 0.489 608 G N 1.248 110.062 108.800 0.024 0.000 2.450 608 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.220 608 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.220 608 G C 1.120 176.117 174.900 0.161 0.000 1.130 608 G CA 1.359 46.534 45.100 0.126 0.000 0.760 608 G HN 0.465 nan 8.290 nan 0.000 0.557 609 D N -0.434 120.030 120.400 0.107 0.000 2.183 609 D HA -0.031 4.608 4.640 -0.002 0.000 0.203 609 D C 2.312 178.728 176.300 0.193 0.000 0.969 609 D CA 0.239 54.323 54.000 0.141 0.000 0.842 609 D CB -0.096 40.749 40.800 0.077 0.000 0.957 609 D HN 0.216 nan 8.370 nan 0.000 0.484 610 L N -0.256 121.040 121.223 0.121 0.000 2.109 610 L HA -0.041 4.298 4.340 -0.002 0.000 0.207 610 L C 2.108 179.064 176.870 0.143 0.000 1.086 610 L CA 1.286 56.193 54.840 0.111 0.000 0.760 610 L CB -0.402 41.674 42.059 0.027 0.000 0.910 610 L HN 0.108 nan 8.230 nan 0.000 0.437 611 C N -1.264 118.114 119.300 0.130 0.000 2.425 611 C HA -0.191 4.268 4.460 -0.002 0.000 0.277 611 C C 2.523 177.747 174.990 0.390 0.000 1.280 611 C CA 0.675 59.813 59.018 0.199 0.000 1.744 611 C CB -1.393 26.480 27.740 0.222 0.000 1.989 611 C HN 0.801 nan 8.230 nan 0.000 0.491 612 W N 1.572 122.989 121.300 0.194 0.000 2.379 612 W HA -0.111 4.548 4.660 -0.002 0.000 0.307 612 W C 2.429 179.059 176.519 0.184 0.000 1.200 612 W CA 1.614 59.067 57.345 0.180 0.000 1.297 612 W CB -0.482 29.049 29.460 0.119 0.000 1.140 612 W HN 0.335 nan 8.180 nan 0.000 0.507 613 A N 0.869 123.891 122.820 0.336 0.000 1.933 613 A HA -0.100 4.219 4.320 -0.002 0.000 0.218 613 A C 2.112 179.809 177.584 0.188 0.000 1.175 613 A CA 2.458 54.641 52.037 0.242 0.000 0.628 613 A CB -1.215 17.933 19.000 0.247 0.000 0.814 613 A HN 0.297 nan 8.150 nan 0.000 0.444 614 A N -0.531 122.415 122.820 0.210 0.000 1.969 614 A HA 0.150 4.469 4.320 -0.002 0.000 0.218 614 A C 2.353 180.091 177.584 0.256 0.000 1.169 614 A CA 1.802 53.968 52.037 0.215 0.000 0.635 614 A CB -1.217 17.909 19.000 0.211 0.000 0.810 614 A HN 0.686 nan 8.150 nan 0.000 0.445 615 G N -0.315 108.654 108.800 0.281 0.000 2.402 615 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.216 615 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.216 615 G C 1.346 176.258 174.900 0.020 0.000 1.162 615 G CA 1.286 46.494 45.100 0.181 0.000 0.777 615 G HN 0.496 nan 8.290 nan 0.000 0.539 616 D N 0.180 120.556 120.400 -0.040 0.000 2.117 616 D HA -0.114 4.525 4.640 -0.002 0.000 0.197 616 D C 2.262 178.613 176.300 0.085 0.000 0.987 616 D CA 0.885 54.885 54.000 0.001 0.000 0.829 616 D CB -0.249 40.591 40.800 0.067 0.000 0.961 616 D HN 0.430 nan 8.370 nan 0.000 0.460 617 Q N -0.561 119.306 119.800 0.111 0.000 2.482 617 Q HA -0.004 4.335 4.340 -0.002 0.000 0.209 617 Q C -0.195 175.865 176.000 0.099 0.000 0.961 617 Q CA 0.110 55.972 55.803 0.099 0.000 0.945 617 Q CB 0.120 28.930 28.738 0.120 0.000 1.012 617 Q HN 0.152 nan 8.270 nan 0.000 0.515 618 Q N -1.691 118.189 119.800 0.133 0.000 2.478 618 Q HA -0.207 4.132 4.340 -0.002 0.000 0.286 618 Q C -0.611 175.533 176.000 0.239 0.000 1.299 618 Q CA 0.920 56.830 55.803 0.178 0.000 0.826 618 Q CB -2.413 26.440 28.738 0.191 0.000 1.199 618 Q HN 0.491 nan 8.270 nan 0.000 0.451 619 A N 1.138 124.080 122.820 0.202 0.000 2.511 619 A HA 0.365 4.684 4.320 -0.002 0.000 0.242 619 A C 0.439 178.103 177.584 0.133 0.000 1.069 619 A CA 0.307 52.394 52.037 0.082 0.000 0.763 619 A CB 0.374 19.307 19.000 -0.112 0.000 1.001 619 A HN 0.306 nan 8.150 nan 0.000 0.498 620 R N 1.821 122.332 120.500 0.018 0.000 2.422 620 R HA 0.565 4.904 4.340 -0.002 0.000 0.307 620 R C 0.149 176.422 176.300 -0.044 0.000 1.004 620 R CA 0.157 56.226 56.100 -0.052 0.000 0.882 620 R CB 1.865 31.926 30.300 -0.398 0.000 1.164 620 R HN 1.042 nan 8.270 nan 0.000 0.489 621 G N 1.642 110.417 108.800 -0.042 0.000 2.489 621 G HA2 0.488 4.447 3.960 -0.002 0.000 0.305 621 G HA3 0.488 4.447 3.960 -0.002 0.000 0.305 621 G C -1.827 173.159 174.900 0.142 0.000 1.311 621 G CA -0.591 44.483 45.100 -0.043 0.000 0.813 621 G HN 0.211 nan 8.290 nan 0.000 0.480 622 F N 0.190 120.405 119.950 0.443 0.000 2.493 622 F HA 0.597 5.123 4.527 -0.001 0.000 0.329 622 F C 0.177 176.248 175.800 0.452 0.000 1.126 622 F CA -0.681 57.572 58.000 0.420 0.000 0.937 622 F CB 2.177 41.231 39.000 0.091 0.000 1.146 622 F HN 0.115 nan 8.300 nan 0.000 0.442 623 L N 5.336 126.809 121.223 0.417 0.000 2.255 623 L HA 0.421 4.760 4.340 -0.002 0.000 0.289 623 L C -0.617 176.396 176.870 0.239 0.000 1.046 623 L CA -0.502 54.437 54.840 0.164 0.000 0.816 623 L CB 0.567 42.627 42.059 0.002 0.000 1.197 623 L HN 0.417 nan 8.230 nan 0.000 0.427 624 I N 3.268 123.797 120.570 -0.068 0.000 2.291 624 I HA 0.208 4.377 4.170 -0.002 0.000 0.290 624 I C 0.970 176.653 176.117 -0.725 0.000 1.050 624 I CA -0.073 60.995 61.300 -0.387 0.000 1.245 624 I CB 1.023 38.577 38.000 -0.743 0.000 1.405 624 I HN 0.570 nan 8.210 nan 0.000 0.478 625 G N 5.591 114.075 108.800 -0.526 0.000 2.530 625 G HA2 0.449 4.408 3.960 -0.002 0.000 0.313 625 G HA3 0.449 4.408 3.960 -0.002 0.000 0.313 625 G C 0.549 175.141 174.900 -0.512 0.000 0.971 625 G CA -0.319 44.419 45.100 -0.604 0.000 1.237 625 G HN 0.754 nan 8.290 nan 0.000 0.446 626 G N 1.338 109.729 108.800 -0.681 0.000 2.616 626 G HA2 0.466 4.425 3.960 -0.002 0.000 0.268 626 G HA3 0.466 4.425 3.960 -0.002 0.000 0.268 626 G C 0.950 175.803 174.900 -0.078 0.000 1.213 626 G CA 0.468 45.354 45.100 -0.356 0.000 0.926 626 G HN 1.625 nan 8.290 nan 0.000 0.523 627 T N -2.547 112.047 114.554 0.067 0.000 3.708 627 T HA -0.214 4.135 4.350 -0.002 0.000 0.375 627 T C 0.577 175.295 174.700 0.031 0.000 0.763 627 T CA 0.851 62.979 62.100 0.046 0.000 1.915 627 T CB -2.642 66.241 68.868 0.025 0.000 1.783 627 T HN 1.776 nan 8.240 nan 0.000 0.734 628 S N -0.296 115.406 115.700 0.005 0.000 2.707 628 S HA 0.792 5.261 4.470 -0.002 0.000 0.276 628 S C 0.793 175.374 174.600 -0.031 0.000 1.179 628 S CA -0.078 58.127 58.200 0.007 0.000 0.992 628 S CB 1.581 64.819 63.200 0.062 0.000 1.030 628 S HN 2.438 nan 8.310 nan 0.000 0.554 629 G N 0.656 109.356 108.800 -0.166 0.000 3.039 629 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.686 629 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.686 629 G C -0.036 174.657 174.900 -0.344 0.000 1.066 629 G CA -0.034 44.833 45.100 -0.387 0.000 0.774 629 G HN 0.874 nan 8.290 nan 0.000 0.591 630 R N 0.616 120.821 120.500 -0.491 0.000 2.080 630 R HA -0.089 4.250 4.340 -0.002 0.000 0.236 630 R C 3.039 179.199 176.300 -0.233 0.000 1.137 630 R CA 3.330 59.189 56.100 -0.402 0.000 0.943 630 R CB -0.494 29.384 30.300 -0.702 0.000 0.846 630 R HN 1.138 nan 8.270 nan 0.000 0.431 631 T N -3.871 110.561 114.554 -0.203 0.000 3.100 631 T HA 0.058 4.407 4.350 -0.002 0.000 0.253 631 T C 1.417 176.119 174.700 0.005 0.000 1.118 631 T CA 1.035 63.118 62.100 -0.029 0.000 1.058 631 T CB 0.073 68.939 68.868 -0.004 0.000 0.953 631 T HN 0.174 nan 8.240 nan 0.000 0.515 632 T N 1.723 116.264 114.554 -0.022 0.000 3.009 632 T HA 0.244 4.593 4.350 -0.002 0.000 0.258 632 T C 0.677 175.400 174.700 0.037 0.000 1.063 632 T CA 0.069 62.184 62.100 0.025 0.000 1.139 632 T CB -0.167 68.722 68.868 0.034 0.000 0.890 632 T HN 0.259 nan 8.240 nan 0.000 0.471 633 L N 4.576 125.816 121.223 0.029 0.000 2.536 633 L HA 0.321 4.660 4.340 -0.002 0.000 0.242 633 L C 1.393 178.292 176.870 0.049 0.000 1.280 633 L CA -0.534 54.337 54.840 0.051 0.000 1.221 633 L CB -0.629 41.481 42.059 0.085 0.000 1.449 633 L HN 0.113 nan 8.230 nan 0.000 0.405 634 N N 0.373 119.102 118.700 0.048 0.000 2.104 634 N HA -0.175 4.564 4.740 -0.002 0.000 0.190 634 N C 1.365 176.901 175.510 0.044 0.000 1.024 634 N CA 1.480 54.563 53.050 0.055 0.000 0.853 634 N CB -0.383 38.140 38.487 0.060 0.000 1.008 634 N HN 0.512 nan 8.380 nan 0.000 0.424 635 G N 0.401 109.215 108.800 0.023 0.000 2.623 635 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.214 635 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.214 635 G C 1.439 176.328 174.900 -0.019 0.000 1.138 635 G CA -0.030 45.074 45.100 0.005 0.000 0.794 635 G HN 0.203 nan 8.290 nan 0.000 0.535 636 E N 0.608 120.783 120.200 -0.042 0.000 2.150 636 E HA 0.117 4.466 4.350 -0.002 0.000 0.193 636 E C 1.838 178.426 176.600 -0.021 0.000 0.985 636 E CA 0.763 57.079 56.400 -0.140 0.000 0.814 636 E CB -0.239 29.296 29.700 -0.276 0.000 0.752 636 E HN 0.433 nan 8.360 nan 0.000 0.466 637 G N 0.852 109.688 108.800 0.061 0.000 2.584 637 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.229 637 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.229 637 G C 0.643 175.649 174.900 0.176 0.000 1.320 637 G CA -0.010 45.156 45.100 0.109 0.000 0.891 637 G HN 0.299 nan 8.290 nan 0.000 0.573 638 L N -0.123 121.199 121.223 0.165 0.000 2.013 638 L HA -0.115 4.224 4.340 -0.002 0.000 0.212 638 L C 2.711 179.716 176.870 0.226 0.000 1.073 638 L CA 2.856 57.815 54.840 0.198 0.000 0.753 638 L CB -0.221 41.898 42.059 0.099 0.000 0.890 638 L HN 0.709 nan 8.230 nan 0.000 0.432 639 Q N -2.188 117.740 119.800 0.213 0.000 2.320 639 Q HA -0.041 4.298 4.340 -0.002 0.000 0.201 639 Q C 0.851 176.872 176.000 0.036 0.000 0.910 639 Q CA 0.138 56.041 55.803 0.167 0.000 0.946 639 Q CB 0.361 29.183 28.738 0.140 0.000 1.062 639 Q HN 0.636 nan 8.270 nan 0.000 0.503 640 H N -0.634 118.465 119.070 0.050 0.000 2.800 640 H HA 0.163 4.718 4.556 -0.002 0.000 0.257 640 H C -0.209 175.086 175.328 -0.055 0.000 0.967 640 H CA -0.109 55.899 56.048 -0.067 0.000 1.192 640 H CB 0.812 30.567 29.762 -0.012 0.000 1.441 640 H HN 0.062 nan 8.280 nan 0.000 0.461 641 E N 2.239 122.517 120.200 0.130 0.000 2.029 641 E HA 0.016 4.365 4.350 -0.002 0.000 0.276 641 E C -0.701 175.877 176.600 -0.038 0.000 1.163 641 E CA -0.206 56.218 56.400 0.041 0.000 0.909 641 E CB 0.466 30.205 29.700 0.064 0.000 1.046 641 E HN 0.231 nan 8.360 nan 0.000 0.406 642 D N 2.663 122.984 120.400 -0.132 0.000 2.411 642 D HA 0.151 4.790 4.640 -0.002 0.000 0.225 642 D C 0.437 176.508 176.300 -0.383 0.000 1.156 642 D CA -0.463 53.382 54.000 -0.258 0.000 0.874 642 D CB 0.726 41.405 40.800 -0.202 0.000 1.034 642 D HN 0.473 nan 8.370 nan 0.000 0.502 643 G N 2.946 111.562 108.800 -0.307 0.000 3.774 643 G HA2 0.031 3.990 3.960 -0.002 0.000 0.287 643 G HA3 0.031 3.990 3.960 -0.002 0.000 0.287 643 G C 0.536 175.472 174.900 0.061 0.000 1.030 643 G CA -0.374 44.472 45.100 -0.423 0.000 0.824 643 G HN 0.712 nan 8.290 nan 0.000 0.518 644 H N -2.191 116.961 119.070 0.137 0.000 3.770 644 H HA 0.043 4.599 4.556 -0.002 0.000 0.264 644 H C 1.606 177.001 175.328 0.111 0.000 1.164 644 H CA 0.668 56.804 56.048 0.147 0.000 1.158 644 H CB -0.482 29.294 29.762 0.024 0.000 1.653 644 H HN 0.219 nan 8.280 nan 0.000 0.795 645 S N 0.804 116.463 115.700 -0.067 0.000 2.400 645 S HA -0.219 4.250 4.470 -0.002 0.000 0.232 645 S C 1.596 176.099 174.600 -0.163 0.000 1.025 645 S CA 1.291 59.467 58.200 -0.040 0.000 0.993 645 S CB -0.858 62.403 63.200 0.102 0.000 0.808 645 S HN 0.485 nan 8.310 nan 0.000 0.478 646 H N 1.004 119.947 119.070 -0.211 0.000 2.491 646 H HA 0.098 4.653 4.556 -0.002 0.000 0.290 646 H C 1.878 177.082 175.328 -0.206 0.000 1.050 646 H CA 1.304 57.139 56.048 -0.354 0.000 1.309 646 H CB -0.069 29.064 29.762 -1.050 0.000 1.392 646 H HN 0.398 nan 8.280 nan 0.000 0.554 647 I N 0.630 121.190 120.570 -0.017 0.000 2.406 647 I HA -0.166 4.003 4.170 -0.002 0.000 0.249 647 I C 2.110 178.204 176.117 -0.039 0.000 1.122 647 I CA 0.908 62.228 61.300 0.032 0.000 1.431 647 I CB -0.770 37.280 38.000 0.082 0.000 1.087 647 I HN 0.230 nan 8.210 nan 0.000 0.424 648 Q N 0.615 120.363 119.800 -0.086 0.000 2.083 648 Q HA -0.126 4.213 4.340 -0.002 0.000 0.198 648 Q C 2.396 178.151 176.000 -0.408 0.000 0.969 648 Q CA 1.971 57.689 55.803 -0.141 0.000 0.838 648 Q CB -0.132 28.587 28.738 -0.031 0.000 0.900 648 Q HN 0.562 nan 8.270 nan 0.000 0.436 649 S N 1.126 116.368 115.700 -0.763 0.000 2.402 649 S HA -0.126 4.343 4.470 -0.002 0.000 0.229 649 S C 1.953 176.295 174.600 -0.430 0.000 1.021 649 S CA 1.043 58.591 58.200 -1.087 0.000 0.974 649 S CB -0.456 61.952 63.200 -1.320 0.000 0.800 649 S HN 0.420 nan 8.310 nan 0.000 0.484 650 L N 1.907 123.008 121.223 -0.204 0.000 2.456 650 L HA 0.175 4.514 4.340 -0.002 0.000 0.224 650 L C 2.167 179.009 176.870 -0.046 0.000 1.148 650 L CA 1.520 56.312 54.840 -0.080 0.000 0.825 650 L CB -2.042 40.025 42.059 0.014 0.000 0.937 650 L HN 0.470 nan 8.230 nan 0.000 0.450 651 T N -2.620 111.913 114.554 -0.035 0.000 3.085 651 T HA 0.188 4.537 4.350 -0.002 0.000 0.263 651 T C 0.835 175.660 174.700 0.208 0.000 1.127 651 T CA 0.208 62.355 62.100 0.078 0.000 1.103 651 T CB -0.654 68.261 68.868 0.079 0.000 0.921 651 T HN 0.327 nan 8.240 nan 0.000 0.510 652 I N 2.715 123.330 120.570 0.075 0.000 2.301 652 I HA 0.260 4.429 4.170 -0.002 0.000 0.292 652 I C -1.599 174.443 176.117 -0.125 0.000 1.046 652 I CA -2.655 58.657 61.300 0.021 0.000 1.282 652 I CB 1.850 39.851 38.000 0.002 0.000 1.409 652 I HN -0.062 nan 8.210 nan 0.000 0.484 653 P HA -0.184 nan 4.420 nan 0.000 0.216 653 P C 0.564 177.756 177.300 -0.180 0.000 1.153 653 P CA 1.402 64.416 63.100 -0.143 0.000 0.858 653 P CB -0.012 31.603 31.700 -0.142 0.000 0.789 654 N N -1.998 116.561 118.700 -0.235 0.000 2.279 654 N HA 0.026 4.765 4.740 -0.002 0.000 0.226 654 N C -0.754 174.505 175.510 -0.418 0.000 1.126 654 N CA -0.404 52.503 53.050 -0.239 0.000 0.846 654 N CB -1.137 37.259 38.487 -0.152 0.000 1.050 654 N HN 0.059 nan 8.380 nan 0.000 0.502 655 C N 1.572 120.566 119.300 -0.510 0.000 2.295 655 C HA 0.584 5.042 4.460 -0.002 0.000 0.331 655 C C -0.447 174.327 174.990 -0.361 0.000 1.280 655 C CA -0.968 57.641 59.018 -0.682 0.000 1.746 655 C CB -0.730 26.652 27.740 -0.597 0.000 2.328 655 C HN 0.322 nan 8.230 nan 0.000 0.521 656 I N 6.219 126.582 120.570 -0.345 0.000 2.312 656 I HA 0.321 4.490 4.170 -0.002 0.000 0.290 656 I C 0.445 176.371 176.117 -0.317 0.000 1.008 656 I CA 0.323 61.376 61.300 -0.412 0.000 1.226 656 I CB 1.016 38.597 38.000 -0.698 0.000 1.371 656 I HN 0.677 nan 8.210 nan 0.000 0.468 657 S N 6.618 122.164 115.700 -0.257 0.000 2.472 657 S HA 0.708 5.177 4.470 -0.002 0.000 0.303 657 S C -0.925 173.540 174.600 -0.224 0.000 1.099 657 S CA -0.445 57.736 58.200 -0.032 0.000 1.077 657 S CB 1.280 64.600 63.200 0.200 0.000 1.031 657 S HN 0.347 nan 8.310 nan 0.000 0.487 658 Y N 0.676 121.051 120.300 0.125 0.000 2.512 658 Y HA 0.432 4.981 4.550 -0.001 0.000 0.348 658 Y C -0.221 175.724 175.900 0.075 0.000 0.990 658 Y CA -0.962 57.186 58.100 0.080 0.000 1.033 658 Y CB 1.738 40.240 38.460 0.071 0.000 1.259 658 Y HN 0.552 nan 8.280 nan 0.000 0.461 659 D N 3.850 124.337 120.400 0.146 0.000 2.502 659 D HA 0.269 4.908 4.640 -0.002 0.000 0.301 659 D C -2.880 173.485 176.300 0.109 0.000 1.202 659 D CA -2.193 51.854 54.000 0.077 0.000 0.878 659 D CB 0.788 41.545 40.800 -0.071 0.000 1.062 659 D HN 0.062 nan 8.370 nan 0.000 0.499 660 P HA 0.154 nan 4.420 nan 0.000 0.271 660 P C 0.211 177.519 177.300 0.013 0.000 1.218 660 P CA -0.205 62.934 63.100 0.065 0.000 0.780 660 P CB 1.921 33.657 31.700 0.060 0.000 0.901 661 A N 2.265 125.022 122.820 -0.105 0.000 1.997 661 A HA 0.107 4.425 4.320 -0.002 0.000 0.212 661 A C 0.281 177.803 177.584 -0.104 0.000 1.178 661 A CA 1.153 53.057 52.037 -0.222 0.000 0.698 661 A CB -0.416 18.188 19.000 -0.661 0.000 0.842 661 A HN 0.526 nan 8.150 nan 0.000 0.458 662 Y N -2.743 117.531 120.300 -0.044 0.000 2.536 662 Y HA 0.600 5.149 4.550 -0.002 0.000 0.347 662 Y C 1.331 177.089 175.900 -0.236 0.000 1.000 662 Y CA -1.425 56.563 58.100 -0.187 0.000 1.051 662 Y CB 1.433 39.548 38.460 -0.574 0.000 1.259 662 Y HN 0.070 nan 8.280 nan 0.000 0.468 663 A N 1.736 124.574 122.820 0.030 0.000 1.892 663 A HA -0.265 4.054 4.320 -0.002 0.000 0.218 663 A C 1.799 179.399 177.584 0.028 0.000 1.188 663 A CA 2.440 54.489 52.037 0.020 0.000 0.631 663 A CB -1.388 17.635 19.000 0.039 0.000 0.822 663 A HN 0.889 nan 8.150 nan 0.000 0.447 664 Y N -0.338 120.016 120.300 0.091 0.000 2.352 664 Y HA 0.023 4.572 4.550 -0.002 0.000 0.292 664 Y C 1.779 177.705 175.900 0.043 0.000 1.136 664 Y CA 1.103 59.230 58.100 0.045 0.000 1.227 664 Y CB -0.838 37.630 38.460 0.014 0.000 0.991 664 Y HN 0.420 nan 8.280 nan 0.000 0.545 665 E N 0.798 120.935 120.200 -0.105 0.000 2.106 665 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 665 E C 2.273 178.871 176.600 -0.002 0.000 0.984 665 E CA 1.346 57.753 56.400 0.012 0.000 0.806 665 E CB -0.217 29.473 29.700 -0.017 0.000 0.750 665 E HN 0.377 nan 8.360 nan 0.000 0.458 666 V N 1.675 121.584 119.914 -0.007 0.000 2.287 666 V HA -0.319 3.800 4.120 -0.002 0.000 0.248 666 V C 2.384 178.453 176.094 -0.041 0.000 1.053 666 V CA 2.005 64.307 62.300 0.004 0.000 1.027 666 V CB -0.802 31.047 31.823 0.043 0.000 0.646 666 V HN 0.341 nan 8.190 nan 0.000 0.447 667 A N -0.349 122.441 122.820 -0.050 0.000 1.883 667 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 667 A C 2.396 179.811 177.584 -0.282 0.000 1.186 667 A CA 2.241 54.162 52.037 -0.195 0.000 0.624 667 A CB -0.780 18.189 19.000 -0.052 0.000 0.822 667 A HN 0.335 nan 8.150 nan 0.000 0.444 668 V N 0.095 119.945 119.914 -0.108 0.000 2.343 668 V HA -0.264 3.855 4.120 -0.002 0.000 0.247 668 V C 2.426 178.479 176.094 -0.068 0.000 1.051 668 V CA 2.043 64.304 62.300 -0.065 0.000 1.036 668 V CB -0.662 31.163 31.823 0.004 0.000 0.654 668 V HN 0.570 nan 8.190 nan 0.000 0.451 669 I N -0.852 119.650 120.570 -0.113 0.000 2.226 669 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 669 I C 2.464 178.558 176.117 -0.038 0.000 1.100 669 I CA 1.835 63.031 61.300 -0.174 0.000 1.374 669 I CB -0.259 37.536 38.000 -0.341 0.000 1.057 669 I HN 0.267 nan 8.210 nan 0.000 0.413 670 M N -0.756 118.808 119.600 -0.061 0.000 2.175 670 M HA -0.208 4.271 4.480 -0.002 0.000 0.264 670 M C 2.473 178.707 176.300 -0.109 0.000 1.063 670 M CA 1.452 56.723 55.300 -0.047 0.000 1.119 670 M CB -0.686 31.837 32.600 -0.128 0.000 1.377 670 M HN 0.334 nan 8.290 nan 0.000 0.415 671 H N 0.035 118.896 119.070 -0.348 0.000 2.321 671 H HA -0.195 4.359 4.556 -0.002 0.000 0.300 671 H C 1.460 176.762 175.328 -0.044 0.000 1.087 671 H CA 2.272 58.167 56.048 -0.255 0.000 1.319 671 H CB -0.097 29.441 29.762 -0.373 0.000 1.379 671 H HN 0.323 nan 8.280 nan 0.000 0.501 672 D N -0.341 119.968 120.400 -0.151 0.000 2.097 672 D HA -0.082 4.557 4.640 -0.002 0.000 0.195 672 D C 2.461 178.686 176.300 -0.125 0.000 0.989 672 D CA 1.607 55.542 54.000 -0.109 0.000 0.827 672 D CB -0.735 40.096 40.800 0.052 0.000 0.966 672 D HN 0.529 nan 8.370 nan 0.000 0.456 673 G N 0.238 108.900 108.800 -0.230 0.000 2.418 673 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.217 673 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.217 673 G C 1.544 176.330 174.900 -0.190 0.000 1.158 673 G CA 0.825 45.509 45.100 -0.694 0.000 0.771 673 G HN 0.320 nan 8.290 nan 0.000 0.545 674 L N 0.638 121.913 121.223 0.087 0.000 2.012 674 L HA -0.018 4.321 4.340 -0.002 0.000 0.210 674 L C 2.670 179.590 176.870 0.082 0.000 1.073 674 L CA 2.502 57.466 54.840 0.207 0.000 0.748 674 L CB -0.706 41.462 42.059 0.180 0.000 0.891 674 L HN 0.376 nan 8.230 nan 0.000 0.431 675 E N -0.880 119.269 120.200 -0.086 0.000 2.051 675 E HA -0.217 4.132 4.350 -0.002 0.000 0.192 675 E C 2.332 178.916 176.600 -0.027 0.000 0.991 675 E CA 1.320 57.678 56.400 -0.070 0.000 0.799 675 E CB -0.043 29.552 29.700 -0.175 0.000 0.748 675 E HN 0.375 nan 8.360 nan 0.000 0.449 676 R N -0.443 120.029 120.500 -0.047 0.000 2.083 676 R HA -0.112 4.227 4.340 -0.002 0.000 0.237 676 R C 2.480 178.725 176.300 -0.091 0.000 1.137 676 R CA 2.017 58.094 56.100 -0.038 0.000 0.951 676 R CB -0.282 30.029 30.300 0.018 0.000 0.851 676 R HN 0.295 nan 8.270 nan 0.000 0.434 677 M N -1.442 118.071 119.600 -0.145 0.000 2.236 677 M HA -0.063 4.416 4.480 -0.002 0.000 0.266 677 M C 0.803 176.769 176.300 -0.557 0.000 1.070 677 M CA 1.461 56.542 55.300 -0.365 0.000 1.137 677 M CB 0.300 32.644 32.600 -0.427 0.000 1.378 677 M HN 0.125 nan 8.290 nan 0.000 0.426 678 Y N -0.594 119.742 120.300 0.061 0.000 2.527 678 Y HA 0.389 4.939 4.550 -0.001 0.000 0.247 678 Y C 1.288 177.344 175.900 0.259 0.000 1.138 678 Y CA -0.687 57.533 58.100 0.201 0.000 1.228 678 Y CB 0.026 38.528 38.460 0.070 0.000 1.252 678 Y HN 0.030 nan 8.280 nan 0.000 0.531 679 G N -0.091 108.822 108.800 0.188 0.000 2.531 679 G HA2 0.126 4.085 3.960 -0.002 0.000 0.281 679 G HA3 0.126 4.085 3.960 -0.002 0.000 0.281 679 G C 0.590 175.520 174.900 0.049 0.000 1.382 679 G CA -0.344 44.832 45.100 0.127 0.000 1.045 679 G HN 0.263 nan 8.290 nan 0.000 0.533 680 E N -0.667 119.540 120.200 0.011 0.000 2.160 680 E HA -0.149 4.200 4.350 -0.002 0.000 0.195 680 E C 2.174 178.720 176.600 -0.090 0.000 0.991 680 E CA 1.052 57.422 56.400 -0.050 0.000 0.810 680 E CB 0.043 29.728 29.700 -0.026 0.000 0.742 680 E HN 0.515 nan 8.360 nan 0.000 0.466 681 K N 0.972 121.333 120.400 -0.065 0.000 2.103 681 K HA -0.201 4.118 4.320 -0.002 0.000 0.207 681 K C 0.342 176.869 176.600 -0.122 0.000 1.048 681 K CA 1.024 57.265 56.287 -0.077 0.000 0.930 681 K CB 0.080 32.548 32.500 -0.053 0.000 0.716 681 K HN 0.034 nan 8.250 nan 0.000 0.444 682 Q N 1.109 120.812 119.800 -0.161 0.000 2.439 682 Q HA -0.209 4.130 4.340 -0.002 0.000 0.325 682 Q C -0.897 174.982 176.000 -0.201 0.000 1.372 682 Q CA 0.676 56.336 55.803 -0.240 0.000 0.909 682 Q CB -1.388 27.154 28.738 -0.326 0.000 1.167 682 Q HN 0.473 nan 8.270 nan 0.000 0.418 683 E N 0.923 121.025 120.200 -0.163 0.000 2.344 683 E HA 0.046 4.395 4.350 -0.002 0.000 0.270 683 E C -0.146 176.374 176.600 -0.134 0.000 1.021 683 E CA -0.332 56.000 56.400 -0.113 0.000 0.887 683 E CB 0.592 30.253 29.700 -0.064 0.000 0.997 683 E HN 0.168 nan 8.360 nan 0.000 0.429 684 N N 4.704 123.355 118.700 -0.083 0.000 2.807 684 N HA 0.126 4.865 4.740 -0.002 0.000 0.259 684 N C -0.792 174.710 175.510 -0.013 0.000 1.149 684 N CA 0.043 53.064 53.050 -0.048 0.000 1.042 684 N CB 0.628 39.118 38.487 0.006 0.000 1.367 684 N HN 0.314 nan 8.380 nan 0.000 0.516 685 V N -0.751 119.163 119.914 -0.000 0.000 3.159 685 V HA 0.737 4.856 4.120 -0.002 0.000 0.308 685 V C -1.146 175.043 176.094 0.160 0.000 1.190 685 V CA -1.154 61.162 62.300 0.027 0.000 1.037 685 V CB 1.775 33.603 31.823 0.008 0.000 1.060 685 V HN 0.337 nan 8.190 nan 0.000 0.437 686 Y N 0.085 120.466 120.300 0.134 0.000 2.602 686 Y HA 0.894 5.443 4.550 -0.002 0.000 0.342 686 Y C -1.529 174.542 175.900 0.286 0.000 1.029 686 Y CA -1.673 56.553 58.100 0.211 0.000 1.080 686 Y CB 1.461 40.149 38.460 0.379 0.000 1.284 686 Y HN 0.647 nan 8.280 nan 0.000 0.485 687 Y N 1.270 121.697 120.300 0.212 0.000 2.420 687 Y HA 0.472 5.021 4.550 -0.001 0.000 0.334 687 Y C -1.123 175.057 175.900 0.468 0.000 1.094 687 Y CA -1.466 56.759 58.100 0.208 0.000 1.126 687 Y CB 1.670 40.120 38.460 -0.017 0.000 1.217 687 Y HN 0.684 nan 8.280 nan 0.000 0.462 688 Y N 4.042 124.552 120.300 0.350 0.000 2.329 688 Y HA 0.651 5.200 4.550 -0.002 0.000 0.328 688 Y C -1.587 174.481 175.900 0.279 0.000 0.992 688 Y CA -1.921 56.363 58.100 0.307 0.000 1.151 688 Y CB 0.604 39.230 38.460 0.278 0.000 1.150 688 Y HN 0.492 nan 8.280 nan 0.000 0.450 689 I N 6.155 126.664 120.570 -0.102 0.000 2.418 689 I HA 0.313 4.482 4.170 -0.002 0.000 0.287 689 I C -0.350 175.493 176.117 -0.458 0.000 1.008 689 I CA -0.893 60.317 61.300 -0.150 0.000 1.104 689 I CB 2.215 40.275 38.000 0.100 0.000 1.264 689 I HN 0.639 nan 8.210 nan 0.000 0.438 690 T N 1.539 115.835 114.554 -0.430 0.000 2.817 690 T HA 0.537 4.886 4.350 -0.002 0.000 0.293 690 T C 0.154 174.778 174.700 -0.126 0.000 0.964 690 T CA -0.630 61.283 62.100 -0.311 0.000 1.085 690 T CB 1.196 70.013 68.868 -0.085 0.000 0.921 690 T HN 0.692 nan 8.240 nan 0.000 0.502 691 T N 0.830 115.297 114.554 -0.145 0.000 2.926 691 T HA 0.763 5.112 4.350 -0.002 0.000 0.289 691 T C -0.493 174.191 174.700 -0.027 0.000 1.054 691 T CA -1.125 60.930 62.100 -0.075 0.000 1.015 691 T CB 1.026 69.828 68.868 -0.109 0.000 1.167 691 T HN 0.580 nan 8.240 nan 0.000 0.526 692 L N 1.702 122.928 121.223 0.005 0.000 2.319 692 L HA 0.559 4.898 4.340 -0.002 0.000 0.267 692 L C 0.732 177.611 176.870 0.014 0.000 1.011 692 L CA -1.214 53.641 54.840 0.024 0.000 0.818 692 L CB 1.679 43.771 42.059 0.055 0.000 1.316 692 L HN 0.889 nan 8.230 nan 0.000 0.432 693 N N -0.362 118.350 118.700 0.020 0.000 2.214 693 N HA 0.011 4.750 4.740 -0.002 0.000 0.214 693 N C -0.190 175.322 175.510 0.003 0.000 1.132 693 N CA -0.183 52.869 53.050 0.004 0.000 0.856 693 N CB 0.473 38.955 38.487 -0.009 0.000 1.020 693 N HN 0.702 nan 8.380 nan 0.000 0.509 694 E N 0.748 120.955 120.200 0.012 0.000 2.151 694 E HA 0.232 4.581 4.350 -0.002 0.000 0.275 694 E C -1.010 175.535 176.600 -0.091 0.000 0.936 694 E CA -0.664 55.762 56.400 0.043 0.000 0.777 694 E CB 0.671 30.477 29.700 0.177 0.000 1.108 694 E HN 0.079 nan 8.360 nan 0.000 0.401 695 N N 3.245 121.919 118.700 -0.044 0.000 2.499 695 N HA 0.281 5.020 4.740 -0.002 0.000 0.281 695 N C -1.123 174.406 175.510 0.031 0.000 1.098 695 N CA 0.060 53.044 53.050 -0.111 0.000 0.979 695 N CB 0.772 39.244 38.487 -0.024 0.000 1.121 695 N HN 0.418 nan 8.380 nan 0.000 0.466 696 Y N -2.644 117.708 120.300 0.086 0.000 2.750 696 Y HA 0.305 4.854 4.550 -0.001 0.000 0.335 696 Y C -0.280 175.698 175.900 0.130 0.000 1.252 696 Y CA -1.225 56.942 58.100 0.111 0.000 1.064 696 Y CB 0.523 39.053 38.460 0.116 0.000 1.321 696 Y HN 0.444 nan 8.280 nan 0.000 0.451 697 H N 3.364 122.640 119.070 0.342 0.000 2.964 697 H HA 0.211 4.766 4.556 -0.002 0.000 0.328 697 H C -0.935 174.556 175.328 0.273 0.000 1.030 697 H CA 0.422 56.600 56.048 0.217 0.000 1.445 697 H CB 0.709 30.553 29.762 0.137 0.000 1.449 697 H HN 0.559 nan 8.280 nan 0.000 0.581 698 M N 8.604 127.951 119.600 -0.422 0.000 2.044 698 M HA 0.249 4.728 4.480 -0.002 0.000 0.333 698 M C -2.418 173.569 176.300 -0.521 0.000 1.004 698 M CA -2.301 52.829 55.300 -0.283 0.000 0.954 698 M CB 1.224 33.766 32.600 -0.097 0.000 1.468 698 M HN 0.506 nan 8.290 nan 0.000 0.414 699 P HA 0.361 nan 4.420 nan 0.000 0.277 699 P C -0.669 176.609 177.300 -0.036 0.000 1.271 699 P CA -0.465 62.505 63.100 -0.217 0.000 0.795 699 P CB 0.849 32.466 31.700 -0.138 0.000 1.101 700 A N 1.637 124.426 122.820 -0.052 0.000 2.371 700 A HA 0.353 4.672 4.320 -0.002 0.000 0.257 700 A C 0.662 177.999 177.584 -0.413 0.000 1.089 700 A CA -0.600 51.365 52.037 -0.121 0.000 0.794 700 A CB -0.331 18.611 19.000 -0.098 0.000 1.029 700 A HN 0.707 nan 8.150 nan 0.000 0.488 701 M N 2.383 121.520 119.600 -0.771 0.000 2.239 701 M HA 0.243 4.722 4.480 -0.002 0.000 0.348 701 M C -2.215 173.713 176.300 -0.620 0.000 1.239 701 M CA -1.215 53.239 55.300 -1.409 0.000 1.114 701 M CB 0.302 32.294 32.600 -1.014 0.000 1.641 701 M HN 0.334 nan 8.290 nan 0.000 0.453 702 P HA 0.062 nan 4.420 nan 0.000 0.271 702 P C -1.358 175.825 177.300 -0.195 0.000 1.216 702 P CA -0.189 62.784 63.100 -0.212 0.000 0.776 702 P CB 0.473 32.126 31.700 -0.079 0.000 0.881 703 E N 1.991 122.117 120.200 -0.124 0.000 2.465 703 E HA 0.159 4.508 4.350 -0.002 0.000 0.260 703 E C 1.056 177.609 176.600 -0.079 0.000 0.980 703 E CA 0.825 57.167 56.400 -0.097 0.000 0.927 703 E CB -0.558 29.105 29.700 -0.062 0.000 0.934 703 E HN 0.748 nan 8.360 nan 0.000 0.459 704 G N 2.945 111.699 108.800 -0.078 0.000 2.179 704 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.260 704 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.260 704 G C 0.875 175.738 174.900 -0.062 0.000 0.977 704 G CA 0.498 45.568 45.100 -0.051 0.000 0.641 704 G HN 0.856 nan 8.290 nan 0.000 0.533 705 A N 0.074 122.813 122.820 -0.136 0.000 2.209 705 A HA 0.346 4.665 4.320 -0.002 0.000 0.212 705 A C 1.866 179.332 177.584 -0.197 0.000 1.158 705 A CA 1.928 53.827 52.037 -0.230 0.000 0.742 705 A CB -0.291 18.399 19.000 -0.515 0.000 0.790 705 A HN 0.605 nan 8.150 nan 0.000 0.472 706 E N 0.090 120.222 120.200 -0.114 0.000 2.070 706 E HA -0.241 4.108 4.350 -0.002 0.000 0.197 706 E C 1.935 178.527 176.600 -0.015 0.000 1.004 706 E CA 1.590 57.955 56.400 -0.058 0.000 0.805 706 E CB -0.176 29.504 29.700 -0.033 0.000 0.744 706 E HN 0.573 nan 8.360 nan 0.000 0.451 707 E N 0.074 120.276 120.200 0.002 0.000 2.072 707 E HA -0.075 4.274 4.350 -0.002 0.000 0.191 707 E C 2.128 178.743 176.600 0.025 0.000 0.985 707 E CA 1.392 57.796 56.400 0.007 0.000 0.801 707 E CB -0.759 28.948 29.700 0.012 0.000 0.750 707 E HN 0.283 nan 8.360 nan 0.000 0.452 708 G N 0.588 109.459 108.800 0.117 0.000 2.422 708 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.218 708 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.218 708 G C 1.745 176.802 174.900 0.262 0.000 1.146 708 G CA 0.880 46.147 45.100 0.278 0.000 0.769 708 G HN 0.313 nan 8.290 nan 0.000 0.547 709 I N 0.125 120.779 120.570 0.140 0.000 2.179 709 I HA -0.177 3.992 4.170 -0.002 0.000 0.242 709 I C 3.072 179.310 176.117 0.202 0.000 1.088 709 I CA 1.116 62.530 61.300 0.189 0.000 1.357 709 I CB -0.165 37.870 38.000 0.059 0.000 1.051 709 I HN 0.095 nan 8.210 nan 0.000 0.409 710 R N 0.695 121.268 120.500 0.122 0.000 2.075 710 R HA -0.120 4.219 4.340 -0.002 0.000 0.232 710 R C 2.259 178.669 176.300 0.183 0.000 1.126 710 R CA 1.137 57.330 56.100 0.154 0.000 0.963 710 R CB -0.217 30.132 30.300 0.082 0.000 0.858 710 R HN 0.302 nan 8.270 nan 0.000 0.435 711 K N -1.057 119.349 120.400 0.009 0.000 2.217 711 K HA -0.007 4.312 4.320 -0.002 0.000 0.202 711 K C 1.142 177.731 176.600 -0.019 0.000 1.051 711 K CA 1.174 57.373 56.287 -0.148 0.000 0.952 711 K CB 0.393 32.490 32.500 -0.672 0.000 0.736 711 K HN 0.482 nan 8.250 nan 0.000 0.453 712 G N 1.041 109.913 108.800 0.119 0.000 2.367 712 G HA2 -0.121 3.837 3.960 -0.002 0.000 0.181 712 G HA3 -0.121 3.837 3.960 -0.002 0.000 0.181 712 G C -0.074 174.861 174.900 0.057 0.000 1.000 712 G CA -0.293 44.847 45.100 0.067 0.000 0.693 712 G HN 0.254 nan 8.290 nan 0.000 0.480 713 I N 0.268 120.962 120.570 0.208 0.000 2.842 713 I HA 0.644 4.813 4.170 -0.002 0.000 0.297 713 I C -1.725 174.612 176.117 0.367 0.000 1.380 713 I CA -1.508 59.885 61.300 0.155 0.000 1.018 713 I CB 1.918 39.906 38.000 -0.020 0.000 1.311 713 I HN 0.444 nan 8.210 nan 0.000 0.439 714 Y N 4.011 124.438 120.300 0.213 0.000 2.552 714 Y HA 0.478 5.027 4.550 -0.002 0.000 0.337 714 Y C -1.480 174.556 175.900 0.227 0.000 1.094 714 Y CA -1.290 56.944 58.100 0.222 0.000 1.028 714 Y CB 0.860 39.434 38.460 0.190 0.000 1.321 714 Y HN 0.505 nan 8.280 nan 0.000 0.456 715 K N 2.630 123.140 120.400 0.184 0.000 2.349 715 K HA 0.253 4.572 4.320 -0.002 0.000 0.288 715 K C -0.165 176.413 176.600 -0.037 0.000 1.058 715 K CA -0.354 55.824 56.287 -0.181 0.000 0.953 715 K CB 0.956 33.328 32.500 -0.213 0.000 0.997 715 K HN 0.878 nan 8.250 nan 0.000 0.477 716 L N 4.349 125.476 121.223 -0.159 0.000 2.168 716 L HA 0.097 4.436 4.340 -0.002 0.000 0.203 716 L C -0.106 176.771 176.870 0.010 0.000 1.078 716 L CA 1.356 56.214 54.840 0.031 0.000 0.780 716 L CB 0.038 42.109 42.059 0.019 0.000 0.939 716 L HN 0.840 nan 8.230 nan 0.000 0.451 717 E N -2.608 117.543 120.200 -0.082 0.000 2.407 717 E HA 0.410 4.759 4.350 -0.002 0.000 0.279 717 E C -1.268 175.273 176.600 -0.098 0.000 1.012 717 E CA -0.819 55.548 56.400 -0.054 0.000 0.800 717 E CB 1.097 30.791 29.700 -0.010 0.000 1.276 717 E HN -0.193 nan 8.360 nan 0.000 0.452 718 T N 1.846 116.365 114.554 -0.058 0.000 2.812 718 T HA 0.504 4.853 4.350 -0.002 0.000 0.282 718 T C -0.391 174.298 174.700 -0.019 0.000 0.990 718 T CA -0.513 61.557 62.100 -0.051 0.000 0.960 718 T CB 0.469 69.313 68.868 -0.041 0.000 0.948 718 T HN 0.342 nan 8.240 nan 0.000 0.438 719 I N 2.647 123.212 120.570 -0.008 0.000 2.412 719 I HA 0.386 4.555 4.170 -0.002 0.000 0.296 719 I C 0.325 176.450 176.117 0.014 0.000 0.987 719 I CA -1.114 60.191 61.300 0.008 0.000 1.180 719 I CB 1.477 39.487 38.000 0.018 0.000 1.340 719 I HN 0.371 nan 8.210 nan 0.000 0.455 720 E N 3.705 123.915 120.200 0.016 0.000 2.349 720 E HA 0.606 4.955 4.350 -0.002 0.000 0.265 720 E C -0.007 176.609 176.600 0.027 0.000 1.064 720 E CA -0.223 56.188 56.400 0.019 0.000 0.886 720 E CB 1.684 31.393 29.700 0.015 0.000 1.036 720 E HN 0.862 nan 8.360 nan 0.000 0.413 721 G N -0.271 108.547 108.800 0.029 0.000 2.682 721 G HA2 0.203 4.162 3.960 -0.002 0.000 0.300 721 G HA3 0.203 4.162 3.960 -0.002 0.000 0.300 721 G C 0.264 175.184 174.900 0.034 0.000 1.396 721 G CA -0.084 45.039 45.100 0.038 0.000 1.104 721 G HN 0.367 nan 8.290 nan 0.000 0.587 722 S N 0.989 116.709 115.700 0.033 0.000 2.501 722 S HA 0.056 4.525 4.470 -0.002 0.000 0.220 722 S C 1.579 176.199 174.600 0.033 0.000 0.997 722 S CA 0.471 58.688 58.200 0.029 0.000 0.919 722 S CB 0.104 63.318 63.200 0.023 0.000 0.778 722 S HN 0.505 nan 8.310 nan 0.000 0.523 723 K N 0.991 121.417 120.400 0.044 0.000 2.314 723 K HA 0.353 4.672 4.320 -0.002 0.000 0.198 723 K C 0.929 177.558 176.600 0.048 0.000 1.045 723 K CA 0.527 56.843 56.287 0.048 0.000 0.988 723 K CB 0.336 32.875 32.500 0.064 0.000 0.783 723 K HN 0.489 nan 8.250 nan 0.000 0.484 724 G N 0.716 109.545 108.800 0.049 0.000 2.451 724 G HA2 0.307 4.266 3.960 -0.002 0.000 0.292 724 G HA3 0.307 4.266 3.960 -0.002 0.000 0.292 724 G C -2.041 172.885 174.900 0.043 0.000 1.427 724 G CA -0.687 44.439 45.100 0.043 0.000 0.792 724 G HN -0.064 nan 8.290 nan 0.000 0.498 725 K N -0.598 119.826 120.400 0.039 0.000 2.501 725 K HA 0.730 5.049 4.320 -0.002 0.000 0.252 725 K C -0.692 175.936 176.600 0.046 0.000 0.934 725 K CA -0.716 55.596 56.287 0.042 0.000 0.797 725 K CB 2.498 35.022 32.500 0.040 0.000 1.270 725 K HN 1.066 nan 8.250 nan 0.000 0.431 726 V N -0.674 119.273 119.914 0.055 0.000 3.167 726 V HA 0.583 4.702 4.120 -0.002 0.000 0.310 726 V C -1.424 174.728 176.094 0.096 0.000 1.207 726 V CA -0.993 61.346 62.300 0.066 0.000 1.059 726 V CB 1.935 33.789 31.823 0.052 0.000 1.079 726 V HN 0.835 nan 8.190 nan 0.000 0.446 727 Q N 0.899 120.776 119.800 0.129 0.000 2.342 727 Q HA 0.781 5.120 4.340 -0.002 0.000 0.267 727 Q C -1.575 174.545 176.000 0.201 0.000 1.038 727 Q CA -0.637 55.296 55.803 0.216 0.000 0.832 727 Q CB 2.662 31.553 28.738 0.255 0.000 1.323 727 Q HN 0.701 nan 8.270 nan 0.000 0.448 728 L N 3.013 124.376 121.223 0.233 0.000 2.381 728 L HA 0.548 4.887 4.340 -0.002 0.000 0.274 728 L C -1.287 175.727 176.870 0.240 0.000 0.988 728 L CA -0.855 54.092 54.840 0.179 0.000 0.824 728 L CB 1.288 43.412 42.059 0.108 0.000 1.263 728 L HN 0.323 nan 8.230 nan 0.000 0.410 729 L N 2.311 123.659 121.223 0.209 0.000 2.365 729 L HA 0.943 5.282 4.340 -0.002 0.000 0.273 729 L C 0.273 177.253 176.870 0.184 0.000 1.000 729 L CA -0.093 54.872 54.840 0.209 0.000 0.819 729 L CB 2.045 44.259 42.059 0.259 0.000 1.284 729 L HN 0.646 nan 8.230 nan 0.000 0.418 730 G N 0.226 109.101 108.800 0.126 0.000 2.692 730 G HA2 0.738 4.697 3.960 -0.002 0.000 0.291 730 G HA3 0.738 4.697 3.960 -0.002 0.000 0.291 730 G C -1.547 173.399 174.900 0.077 0.000 1.423 730 G CA -0.159 45.018 45.100 0.128 0.000 0.843 730 G HN 0.689 nan 8.290 nan 0.000 0.486 731 S N -0.991 114.793 115.700 0.140 0.000 2.685 731 S HA 0.866 5.335 4.470 -0.002 0.000 0.282 731 S C 0.938 175.610 174.600 0.121 0.000 1.159 731 S CA 0.637 58.899 58.200 0.104 0.000 0.833 731 S CB 1.251 64.570 63.200 0.198 0.000 1.151 731 S HN 2.663 nan 8.310 nan 0.000 0.485 732 G N 2.090 110.948 108.800 0.097 0.000 2.632 732 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.322 732 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.322 732 G C 1.155 176.115 174.900 0.100 0.000 1.326 732 G CA 1.893 47.067 45.100 0.123 0.000 0.986 732 G HN 2.200 nan 8.290 nan 0.000 0.541 733 S N -0.654 115.136 115.700 0.150 0.000 2.481 733 S HA 0.135 4.604 4.470 -0.002 0.000 0.231 733 S C 2.040 176.714 174.600 0.123 0.000 0.996 733 S CA 1.435 59.742 58.200 0.178 0.000 0.942 733 S CB 0.143 63.468 63.200 0.209 0.000 0.768 733 S HN 0.513 nan 8.310 nan 0.000 0.520 734 I N 1.082 121.716 120.570 0.106 0.000 3.578 734 I HA 0.219 4.388 4.170 -0.002 0.000 0.295 734 I C 1.833 178.035 176.117 0.142 0.000 1.280 734 I CA 0.123 61.502 61.300 0.131 0.000 1.347 734 I CB -0.790 37.246 38.000 0.059 0.000 1.051 734 I HN 0.330 nan 8.210 nan 0.000 0.460 735 L N 1.522 122.761 121.223 0.026 0.000 2.027 735 L HA -0.108 4.231 4.340 -0.002 0.000 0.206 735 L C 2.551 179.387 176.870 -0.057 0.000 1.074 735 L CA 1.625 56.440 54.840 -0.041 0.000 0.745 735 L CB -0.568 41.381 42.059 -0.184 0.000 0.898 735 L HN 0.108 nan 8.230 nan 0.000 0.433 736 R N -0.837 119.560 120.500 -0.173 0.000 2.293 736 R HA -0.333 4.006 4.340 -0.002 0.000 0.245 736 R C 2.095 178.277 176.300 -0.195 0.000 1.105 736 R CA 2.544 58.478 56.100 -0.277 0.000 0.916 736 R CB -1.380 28.579 30.300 -0.568 0.000 0.963 736 R HN 0.563 nan 8.270 nan 0.000 0.429 737 H N -0.932 118.109 119.070 -0.049 0.000 2.465 737 H HA 0.086 4.641 4.556 -0.002 0.000 0.289 737 H C 2.130 177.457 175.328 -0.001 0.000 1.022 737 H CA 0.809 56.849 56.048 -0.013 0.000 1.340 737 H CB -0.040 29.723 29.762 0.001 0.000 1.437 737 H HN -0.060 nan 8.280 nan 0.000 0.539 738 V N 1.052 121.042 119.914 0.126 0.000 2.324 738 V HA -0.302 3.817 4.120 -0.002 0.000 0.250 738 V C 2.283 178.408 176.094 0.052 0.000 1.060 738 V CA 1.963 64.308 62.300 0.075 0.000 1.042 738 V CB -0.354 31.514 31.823 0.074 0.000 0.650 738 V HN 0.396 nan 8.190 nan 0.000 0.450 739 R N -0.369 120.153 120.500 0.037 0.000 2.090 739 R HA -0.164 4.175 4.340 -0.002 0.000 0.228 739 R C 2.414 178.730 176.300 0.025 0.000 1.110 739 R CA 1.480 57.600 56.100 0.033 0.000 0.973 739 R CB -0.260 30.065 30.300 0.042 0.000 0.869 739 R HN 0.727 nan 8.270 nan 0.000 0.440 740 E N 1.004 121.209 120.200 0.007 0.000 2.058 740 E HA -0.219 4.130 4.350 -0.002 0.000 0.194 740 E C 1.877 178.501 176.600 0.039 0.000 0.997 740 E CA 1.540 57.949 56.400 0.015 0.000 0.801 740 E CB -0.100 29.598 29.700 -0.002 0.000 0.746 740 E HN 0.319 nan 8.360 nan 0.000 0.450 741 A N 1.062 123.905 122.820 0.037 0.000 1.940 741 A HA -0.114 4.205 4.320 -0.002 0.000 0.219 741 A C 2.442 180.056 177.584 0.049 0.000 1.176 741 A CA 1.942 53.996 52.037 0.029 0.000 0.631 741 A CB -0.924 18.083 19.000 0.011 0.000 0.814 741 A HN 0.472 nan 8.150 nan 0.000 0.446 742 A N -0.529 122.320 122.820 0.048 0.000 1.933 742 A HA -0.139 4.180 4.320 -0.002 0.000 0.218 742 A C 1.965 179.586 177.584 0.063 0.000 1.175 742 A CA 1.673 53.741 52.037 0.051 0.000 0.628 742 A CB -0.378 18.646 19.000 0.040 0.000 0.814 742 A HN 0.459 nan 8.150 nan 0.000 0.444 743 E N 0.053 120.289 120.200 0.060 0.000 2.051 743 E HA -0.140 4.209 4.350 -0.002 0.000 0.192 743 E C 2.004 178.660 176.600 0.092 0.000 0.991 743 E CA 1.105 57.543 56.400 0.063 0.000 0.799 743 E CB -0.436 29.294 29.700 0.050 0.000 0.748 743 E HN 0.727 nan 8.360 nan 0.000 0.449 744 I N 0.916 121.556 120.570 0.118 0.000 2.226 744 I HA -0.281 3.888 4.170 -0.002 0.000 0.245 744 I C 2.517 178.792 176.117 0.263 0.000 1.100 744 I CA 0.835 62.249 61.300 0.190 0.000 1.374 744 I CB -0.277 37.861 38.000 0.230 0.000 1.057 744 I HN 0.050 nan 8.210 nan 0.000 0.413 745 L N 0.391 121.742 121.223 0.213 0.000 2.042 745 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 745 L C 2.797 179.802 176.870 0.224 0.000 1.076 745 L CA 1.543 56.523 54.840 0.233 0.000 0.749 745 L CB -0.644 41.478 42.059 0.105 0.000 0.893 745 L HN 0.272 nan 8.230 nan 0.000 0.432 746 A N -0.183 122.721 122.820 0.140 0.000 1.854 746 A HA -0.221 4.098 4.320 -0.002 0.000 0.214 746 A C 2.368 180.002 177.584 0.084 0.000 1.192 746 A CA 1.760 53.856 52.037 0.100 0.000 0.611 746 A CB -0.422 18.617 19.000 0.066 0.000 0.832 746 A HN 0.288 nan 8.150 nan 0.000 0.442 747 K N -0.687 119.757 120.400 0.074 0.000 2.026 747 K HA -0.186 4.133 4.320 -0.002 0.000 0.208 747 K C 1.087 177.683 176.600 -0.006 0.000 1.048 747 K CA 1.853 58.162 56.287 0.036 0.000 0.929 747 K CB -0.147 32.374 32.500 0.035 0.000 0.713 747 K HN 0.348 nan 8.250 nan 0.000 0.439 748 D N -1.221 119.179 120.400 -0.001 0.000 2.271 748 D HA -0.043 4.596 4.640 -0.002 0.000 0.206 748 D C 0.615 176.616 176.300 -0.498 0.000 0.967 748 D CA 0.982 54.842 54.000 -0.234 0.000 0.867 748 D CB 0.271 40.926 40.800 -0.241 0.000 0.960 748 D HN 0.323 nan 8.370 nan 0.000 0.509 749 Y N -1.168 119.157 120.300 0.041 0.000 2.563 749 Y HA 0.336 4.885 4.550 -0.002 0.000 0.250 749 Y C 1.568 177.485 175.900 0.029 0.000 1.126 749 Y CA -0.083 58.038 58.100 0.036 0.000 1.231 749 Y CB 0.901 39.390 38.460 0.049 0.000 1.288 749 Y HN -0.055 nan 8.280 nan 0.000 0.537 750 G N 1.100 109.974 108.800 0.123 0.000 2.179 750 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.257 750 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.257 750 G C -0.298 174.660 174.900 0.096 0.000 1.010 750 G CA 0.416 45.567 45.100 0.084 0.000 0.736 750 G HN 0.143 nan 8.290 nan 0.000 0.513 751 V N 1.001 120.991 119.914 0.126 0.000 2.348 751 V HA 0.654 4.773 4.120 -0.002 0.000 0.270 751 V C 1.342 177.480 176.094 0.073 0.000 1.037 751 V CA -0.082 62.275 62.300 0.095 0.000 0.872 751 V CB 1.056 32.936 31.823 0.094 0.000 1.002 751 V HN 0.644 nan 8.190 nan 0.000 0.464 752 G N 4.072 112.905 108.800 0.055 0.000 2.667 752 G HA2 0.530 4.489 3.960 -0.002 0.000 0.250 752 G HA3 0.530 4.489 3.960 -0.002 0.000 0.250 752 G C -0.078 174.847 174.900 0.043 0.000 1.212 752 G CA 0.231 45.357 45.100 0.043 0.000 0.874 752 G HN 0.993 nan 8.290 nan 0.000 0.561 753 S N -0.556 115.163 115.700 0.032 0.000 2.537 753 S HA 0.434 4.903 4.470 -0.002 0.000 0.271 753 S C -1.730 172.871 174.600 0.002 0.000 1.148 753 S CA -1.055 57.165 58.200 0.034 0.000 0.868 753 S CB 2.340 65.564 63.200 0.040 0.000 1.115 753 S HN 0.444 nan 8.310 nan 0.000 0.461 754 D N 1.559 121.960 120.400 0.003 0.000 2.249 754 D HA 0.472 5.111 4.640 -0.002 0.000 0.246 754 D C -0.503 175.682 176.300 -0.192 0.000 1.114 754 D CA -0.162 53.758 54.000 -0.133 0.000 0.854 754 D CB 1.785 42.509 40.800 -0.127 0.000 1.132 754 D HN 0.407 nan 8.370 nan 0.000 0.461 755 V N 3.504 123.229 119.914 -0.314 0.000 2.370 755 V HA 0.252 4.371 4.120 -0.002 0.000 0.283 755 V C -0.762 175.103 176.094 -0.382 0.000 1.023 755 V CA -0.747 61.436 62.300 -0.195 0.000 0.857 755 V CB 0.354 32.134 31.823 -0.071 0.000 0.985 755 V HN 0.339 nan 8.190 nan 0.000 0.443 756 Y N 1.897 122.156 120.300 -0.069 0.000 2.352 756 Y HA 0.502 5.051 4.550 -0.002 0.000 0.339 756 Y C 0.709 176.475 175.900 -0.223 0.000 0.992 756 Y CA -0.643 57.356 58.100 -0.169 0.000 1.100 756 Y CB 1.935 40.310 38.460 -0.142 0.000 1.192 756 Y HN 0.558 nan 8.280 nan 0.000 0.458 757 S N 2.345 117.868 115.700 -0.296 0.000 2.499 757 S HA 0.440 4.909 4.470 -0.002 0.000 0.275 757 S C -0.756 173.676 174.600 -0.280 0.000 1.257 757 S CA -0.579 57.434 58.200 -0.311 0.000 1.050 757 S CB -0.062 62.905 63.200 -0.387 0.000 0.937 757 S HN 0.457 nan 8.310 nan 0.000 0.490 758 V N 6.348 126.116 119.914 -0.243 0.000 2.294 758 V HA 0.223 4.342 4.120 -0.002 0.000 0.272 758 V C 1.405 177.346 176.094 -0.255 0.000 1.027 758 V CA -0.275 61.786 62.300 -0.399 0.000 0.823 758 V CB 0.466 31.686 31.823 -1.004 0.000 1.030 758 V HN 1.075 nan 8.190 nan 0.000 0.457 759 T N -0.446 114.078 114.554 -0.051 0.000 3.055 759 T HA 0.034 4.383 4.350 -0.002 0.000 0.265 759 T C 0.803 175.545 174.700 0.071 0.000 1.111 759 T CA 0.728 62.894 62.100 0.110 0.000 1.118 759 T CB 0.217 69.266 68.868 0.302 0.000 0.909 759 T HN 0.563 nan 8.240 nan 0.000 0.501 760 S N -0.466 115.140 115.700 -0.156 0.000 2.357 760 S HA 0.417 4.886 4.470 -0.002 0.000 0.209 760 S C -0.205 174.193 174.600 -0.336 0.000 0.981 760 S CA -0.801 57.236 58.200 -0.272 0.000 1.106 760 S CB -0.478 62.408 63.200 -0.524 0.000 1.266 760 S HN 0.157 nan 8.310 nan 0.000 0.410 761 F N 2.188 121.890 119.950 -0.414 0.000 2.171 761 F HA -0.054 4.472 4.527 -0.002 0.000 0.300 761 F C 2.642 178.256 175.800 -0.309 0.000 1.090 761 F CA 1.834 59.545 58.000 -0.481 0.000 1.293 761 F CB -0.413 37.990 39.000 -0.996 0.000 1.013 761 F HN 0.488 nan 8.300 nan 0.000 0.486 762 T N -0.870 113.647 114.554 -0.061 0.000 2.737 762 T HA -0.146 4.203 4.350 -0.002 0.000 0.265 762 T C 1.862 176.497 174.700 -0.108 0.000 1.038 762 T CA 1.319 63.402 62.100 -0.028 0.000 1.144 762 T CB -0.179 68.712 68.868 0.039 0.000 0.866 762 T HN 0.119 nan 8.240 nan 0.000 0.434 763 E N 1.104 121.186 120.200 -0.198 0.000 2.153 763 E HA -0.019 4.330 4.350 -0.002 0.000 0.194 763 E C 2.264 178.772 176.600 -0.153 0.000 0.988 763 E CA 0.677 56.952 56.400 -0.208 0.000 0.811 763 E CB -0.364 29.160 29.700 -0.293 0.000 0.746 763 E HN 0.482 nan 8.360 nan 0.000 0.466 764 L N 0.133 121.277 121.223 -0.132 0.000 2.093 764 L HA -0.103 4.236 4.340 -0.002 0.000 0.208 764 L C 2.518 179.315 176.870 -0.122 0.000 1.085 764 L CA 0.996 55.778 54.840 -0.097 0.000 0.755 764 L CB -0.481 41.531 42.059 -0.079 0.000 0.904 764 L HN 0.044 nan 8.230 nan 0.000 0.435 765 A N 0.232 123.013 122.820 -0.065 0.000 1.898 765 A HA -0.181 4.138 4.320 -0.002 0.000 0.216 765 A C 2.393 179.875 177.584 -0.170 0.000 1.181 765 A CA 1.306 53.323 52.037 -0.033 0.000 0.620 765 A CB -0.408 18.640 19.000 0.079 0.000 0.819 765 A HN 0.292 nan 8.150 nan 0.000 0.442 766 R N -0.582 119.840 120.500 -0.130 0.000 2.073 766 R HA -0.163 4.176 4.340 -0.002 0.000 0.234 766 R C 2.052 178.240 176.300 -0.187 0.000 1.134 766 R CA 1.677 57.697 56.100 -0.132 0.000 0.952 766 R CB -0.492 29.742 30.300 -0.110 0.000 0.850 766 R HN 0.715 nan 8.270 nan 0.000 0.433 767 D N -0.385 119.895 120.400 -0.200 0.000 2.123 767 D HA -0.128 4.511 4.640 -0.002 0.000 0.196 767 D C 1.942 178.058 176.300 -0.308 0.000 0.992 767 D CA 1.629 55.511 54.000 -0.196 0.000 0.833 767 D CB -0.247 40.466 40.800 -0.144 0.000 0.954 767 D HN 0.254 nan 8.370 nan 0.000 0.455 768 G N -0.363 108.089 108.800 -0.580 0.000 2.421 768 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.216 768 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.216 768 G C 1.598 175.981 174.900 -0.861 0.000 1.171 768 G CA 0.884 45.265 45.100 -1.197 0.000 0.775 768 G HN 0.369 nan 8.290 nan 0.000 0.543 769 Q N 0.163 119.625 119.800 -0.564 0.000 2.084 769 Q HA -0.109 4.230 4.340 -0.002 0.000 0.202 769 Q C 2.222 178.191 176.000 -0.051 0.000 0.978 769 Q CA 1.354 57.093 55.803 -0.108 0.000 0.844 769 Q CB -0.142 28.583 28.738 -0.021 0.000 0.898 769 Q HN 0.343 nan 8.270 nan 0.000 0.426 770 D N 0.149 120.493 120.400 -0.093 0.000 2.123 770 D HA -0.142 4.497 4.640 -0.002 0.000 0.196 770 D C 1.938 178.260 176.300 0.037 0.000 0.992 770 D CA 0.973 54.960 54.000 -0.021 0.000 0.833 770 D CB -0.361 40.405 40.800 -0.057 0.000 0.954 770 D HN 0.278 nan 8.370 nan 0.000 0.455 771 C N 1.008 120.294 119.300 -0.023 0.000 2.453 771 C HA -0.037 4.422 4.460 -0.002 0.000 0.277 771 C C 2.528 177.611 174.990 0.154 0.000 1.262 771 C CA 0.242 59.286 59.018 0.043 0.000 1.718 771 C CB -0.541 27.184 27.740 -0.024 0.000 2.031 771 C HN 0.338 nan 8.230 nan 0.000 0.480 772 E N 0.691 120.968 120.200 0.129 0.000 2.118 772 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 772 E C 2.232 178.928 176.600 0.161 0.000 0.992 772 E CA 0.977 57.483 56.400 0.176 0.000 0.804 772 E CB -0.488 29.352 29.700 0.233 0.000 0.741 772 E HN 0.656 nan 8.360 nan 0.000 0.458 773 R N -0.337 120.253 120.500 0.149 0.000 2.066 773 R HA -0.166 4.173 4.340 -0.002 0.000 0.232 773 R C 2.220 178.632 176.300 0.188 0.000 1.131 773 R CA 1.625 57.805 56.100 0.133 0.000 0.955 773 R CB -0.560 29.806 30.300 0.110 0.000 0.851 773 R HN 0.200 nan 8.270 nan 0.000 0.432 774 W N 2.112 123.456 121.300 0.074 0.000 2.358 774 W HA -0.170 4.489 4.660 -0.002 0.000 0.303 774 W C 1.654 178.300 176.519 0.212 0.000 1.208 774 W CA 1.803 59.235 57.345 0.145 0.000 1.274 774 W CB -0.234 29.244 29.460 0.031 0.000 1.138 774 W HN 0.195 nan 8.180 nan 0.000 0.515 775 N N 0.226 119.186 118.700 0.434 0.000 2.069 775 N HA -0.283 4.456 4.740 -0.002 0.000 0.191 775 N C 1.816 177.362 175.510 0.059 0.000 1.031 775 N CA 2.221 55.433 53.050 0.269 0.000 0.852 775 N CB -1.257 37.379 38.487 0.248 0.000 1.018 775 N HN 0.354 nan 8.380 nan 0.000 0.423 776 M N 0.203 119.833 119.600 0.050 0.000 2.213 776 M HA -0.078 4.401 4.480 -0.002 0.000 0.263 776 M C 1.159 177.396 176.300 -0.105 0.000 1.062 776 M CA 1.403 56.695 55.300 -0.014 0.000 1.105 776 M CB 0.041 32.644 32.600 0.006 0.000 1.385 776 M HN 0.053 nan 8.290 nan 0.000 0.417 777 L N -1.023 120.095 121.223 -0.176 0.000 2.558 777 L HA -0.000 4.339 4.340 -0.002 0.000 0.225 777 L C 0.114 176.537 176.870 -0.746 0.000 1.128 777 L CA 0.236 54.844 54.840 -0.387 0.000 0.868 777 L CB -0.307 41.520 42.059 -0.386 0.000 1.006 777 L HN 0.364 nan 8.230 nan 0.000 0.454 778 H N -0.910 117.868 119.070 -0.487 0.000 2.379 778 H HA 0.159 4.714 4.556 -0.002 0.000 0.229 778 H C -1.659 173.487 175.328 -0.302 0.000 1.423 778 H CA -1.418 54.304 56.048 -0.542 0.000 1.375 778 H CB 0.312 29.371 29.762 -1.172 0.000 1.592 778 H HN -0.078 nan 8.280 nan 0.000 0.507 779 P HA -0.159 nan 4.420 nan 0.000 0.221 779 P C 0.820 178.107 177.300 -0.021 0.000 1.145 779 P CA 0.810 63.875 63.100 -0.057 0.000 0.795 779 P CB 0.627 32.288 31.700 -0.066 0.000 0.775 780 L N -1.054 120.154 121.223 -0.024 0.000 2.567 780 L HA 0.187 4.526 4.340 -0.002 0.000 0.225 780 L C 1.270 178.165 176.870 0.041 0.000 1.119 780 L CA 0.787 55.630 54.840 0.006 0.000 0.871 780 L CB -0.960 41.098 42.059 -0.002 0.000 1.036 780 L HN -0.090 nan 8.230 nan 0.000 0.459 781 E N -0.564 119.673 120.200 0.062 0.000 2.250 781 E HA 0.264 4.613 4.350 -0.002 0.000 0.265 781 E C -0.141 176.563 176.600 0.173 0.000 1.033 781 E CA -0.325 56.161 56.400 0.143 0.000 0.888 781 E CB 0.822 30.662 29.700 0.233 0.000 1.151 781 E HN -0.109 nan 8.360 nan 0.000 0.412 782 T N 3.606 118.267 114.554 0.179 0.000 2.853 782 T HA 0.157 4.506 4.350 -0.002 0.000 0.298 782 T C -2.161 172.659 174.700 0.200 0.000 0.978 782 T CA -0.783 61.401 62.100 0.141 0.000 1.152 782 T CB 0.109 69.033 68.868 0.093 0.000 0.914 782 T HN 0.092 nan 8.240 nan 0.000 0.539 783 P HA 0.152 nan 4.420 nan 0.000 0.265 783 P C 0.129 177.502 177.300 0.121 0.000 1.193 783 P CA -0.095 63.114 63.100 0.182 0.000 0.765 783 P CB 0.533 32.304 31.700 0.119 0.000 0.823 784 R N 1.289 121.861 120.500 0.120 0.000 2.531 784 R HA 0.434 4.773 4.340 -0.002 0.000 0.273 784 R C -0.667 175.637 176.300 0.007 0.000 1.070 784 R CA -0.789 55.296 56.100 -0.026 0.000 1.112 784 R CB 0.731 30.919 30.300 -0.186 0.000 1.049 784 R HN 0.229 nan 8.270 nan 0.000 0.508 785 V N 4.394 124.293 119.914 -0.025 0.000 2.347 785 V HA 0.238 4.357 4.120 -0.002 0.000 0.280 785 V C -2.088 173.994 176.094 -0.019 0.000 1.021 785 V CA -2.242 60.052 62.300 -0.010 0.000 0.847 785 V CB 1.393 33.205 31.823 -0.019 0.000 0.990 785 V HN 0.667 nan 8.190 nan 0.000 0.444 786 P HA -0.019 nan 4.420 nan 0.000 0.266 786 P C 0.316 177.614 177.300 -0.004 0.000 1.193 786 P CA 0.146 63.225 63.100 -0.036 0.000 0.770 786 P CB 0.458 32.131 31.700 -0.045 0.000 0.836 787 Y N 3.302 123.543 120.300 -0.098 0.000 2.165 787 Y HA -0.206 4.343 4.550 -0.002 0.000 0.286 787 Y C 2.002 177.862 175.900 -0.067 0.000 1.155 787 Y CA 1.476 59.533 58.100 -0.072 0.000 1.164 787 Y CB -0.539 37.880 38.460 -0.069 0.000 0.978 787 Y HN 0.323 nan 8.280 nan 0.000 0.513 788 I N -0.314 120.216 120.570 -0.066 0.000 2.361 788 I HA -0.264 3.905 4.170 -0.002 0.000 0.251 788 I C 2.164 178.157 176.117 -0.207 0.000 1.133 788 I CA 1.522 62.725 61.300 -0.161 0.000 1.413 788 I CB -0.289 37.652 38.000 -0.100 0.000 1.073 788 I HN 0.311 nan 8.210 nan 0.000 0.424 789 A N -0.349 122.388 122.820 -0.138 0.000 2.067 789 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 789 A C 2.130 179.629 177.584 -0.142 0.000 1.156 789 A CA 0.841 52.808 52.037 -0.117 0.000 0.683 789 A CB -0.317 18.655 19.000 -0.048 0.000 0.808 789 A HN 0.582 nan 8.150 nan 0.000 0.455 790 Q N -0.738 118.938 119.800 -0.205 0.000 2.331 790 Q HA 0.004 4.343 4.340 -0.002 0.000 0.203 790 Q C 1.758 177.610 176.000 -0.247 0.000 0.944 790 Q CA 1.100 56.774 55.803 -0.215 0.000 0.892 790 Q CB 0.059 28.642 28.738 -0.257 0.000 0.983 790 Q HN 0.499 nan 8.270 nan 0.000 0.482 791 V N 0.251 119.967 119.914 -0.331 0.000 2.725 791 V HA -0.015 4.104 4.120 -0.002 0.000 0.247 791 V C 1.141 177.197 176.094 -0.064 0.000 1.058 791 V CA 0.932 63.105 62.300 -0.212 0.000 1.080 791 V CB 0.031 31.698 31.823 -0.259 0.000 0.713 791 V HN 0.275 nan 8.190 nan 0.000 0.465 792 M N 0.612 120.110 119.600 -0.169 0.000 2.471 792 M HA 0.342 4.821 4.480 -0.002 0.000 0.309 792 M C 0.192 176.463 176.300 -0.049 0.000 1.186 792 M CA -0.209 54.993 55.300 -0.164 0.000 1.008 792 M CB 1.346 33.746 32.600 -0.333 0.000 1.551 792 M HN 0.404 nan 8.290 nan 0.000 0.477 793 N N -0.792 117.912 118.700 0.008 0.000 2.938 793 N HA 0.318 5.057 4.740 -0.002 0.000 0.335 793 N C -0.400 175.105 175.510 -0.007 0.000 1.358 793 N CA -0.700 52.356 53.050 0.009 0.000 0.812 793 N CB 0.326 38.838 38.487 0.043 0.000 1.233 793 N HN 0.600 nan 8.380 nan 0.000 0.593 794 D N -1.679 118.723 120.400 0.004 0.000 2.339 794 D HA 0.169 4.808 4.640 -0.002 0.000 0.217 794 D C -0.029 176.281 176.300 0.017 0.000 1.050 794 D CA -0.455 53.546 54.000 0.002 0.000 0.856 794 D CB -0.556 40.244 40.800 0.000 0.000 0.922 794 D HN 0.653 nan 8.370 nan 0.000 0.518 795 A N 1.948 124.788 122.820 0.033 0.000 2.462 795 A HA 0.391 4.710 4.320 -0.002 0.000 0.243 795 A C -2.096 175.518 177.584 0.051 0.000 1.076 795 A CA -1.114 50.949 52.037 0.043 0.000 0.773 795 A CB -0.151 18.883 19.000 0.057 0.000 1.010 795 A HN 0.081 nan 8.150 nan 0.000 0.493 796 P HA 0.141 nan 4.420 nan 0.000 0.261 796 P C -0.381 176.966 177.300 0.079 0.000 1.165 796 P CA 0.754 63.888 63.100 0.056 0.000 0.759 796 P CB 0.421 32.144 31.700 0.038 0.000 0.772 797 A N 3.423 126.313 122.820 0.116 0.000 2.374 797 A HA 0.688 5.007 4.320 -0.002 0.000 0.317 797 A C -0.875 176.784 177.584 0.124 0.000 1.094 797 A CA -0.655 51.480 52.037 0.163 0.000 0.765 797 A CB 1.586 20.736 19.000 0.250 0.000 1.268 797 A HN 0.322 nan 8.150 nan 0.000 0.438 798 V N 0.648 120.615 119.914 0.088 0.000 2.709 798 V HA 0.765 4.884 4.120 -0.002 0.000 0.308 798 V C 0.132 176.240 176.094 0.024 0.000 1.062 798 V CA -0.219 62.071 62.300 -0.016 0.000 0.901 798 V CB 1.619 33.434 31.823 -0.013 0.000 1.003 798 V HN 1.402 nan 8.190 nan 0.000 0.425 799 A N 2.872 125.644 122.820 -0.080 0.000 2.374 799 A HA 0.940 5.259 4.320 -0.002 0.000 0.317 799 A C -0.488 177.078 177.584 -0.031 0.000 1.094 799 A CA -0.596 51.457 52.037 0.027 0.000 0.765 799 A CB 2.047 21.094 19.000 0.079 0.000 1.268 799 A HN 0.837 nan 8.150 nan 0.000 0.438 800 S N 0.122 115.851 115.700 0.047 0.000 2.548 800 S HA 0.823 5.292 4.470 -0.002 0.000 0.276 800 S C -0.415 174.241 174.600 0.094 0.000 1.129 800 S CA 0.269 58.483 58.200 0.024 0.000 0.931 800 S CB 1.344 64.556 63.200 0.020 0.000 1.068 800 S HN 1.804 nan 8.310 nan 0.000 0.480 801 T N 0.506 115.115 114.554 0.092 0.000 2.812 801 T HA 0.489 4.838 4.350 -0.002 0.000 0.294 801 T C -0.329 174.426 174.700 0.092 0.000 1.159 801 T CA -0.514 61.705 62.100 0.200 0.000 1.008 801 T CB 1.409 70.535 68.868 0.430 0.000 1.289 801 T HN 0.314 nan 8.240 nan 0.000 0.514 802 D N -0.655 119.791 120.400 0.077 0.000 2.319 802 D HA 0.237 4.876 4.640 -0.002 0.000 0.230 802 D C -0.713 175.255 176.300 -0.553 0.000 1.094 802 D CA 0.144 54.008 54.000 -0.227 0.000 0.856 802 D CB -0.280 40.370 40.800 -0.250 0.000 0.915 802 D HN 0.433 nan 8.370 nan 0.000 0.517 803 Y N -0.123 120.137 120.300 -0.068 0.000 2.621 803 Y HA 0.333 4.882 4.550 -0.002 0.000 0.334 803 Y C 0.938 176.801 175.900 -0.061 0.000 1.074 803 Y CA -1.472 56.568 58.100 -0.100 0.000 1.149 803 Y CB 0.658 38.996 38.460 -0.203 0.000 1.302 803 Y HN -0.190 nan 8.280 nan 0.000 0.501 804 M N 0.105 119.758 119.600 0.087 0.000 2.252 804 M HA 0.165 4.644 4.480 -0.002 0.000 0.321 804 M C 0.445 176.776 176.300 0.052 0.000 1.070 804 M CA 0.090 55.406 55.300 0.028 0.000 1.143 804 M CB 0.501 33.114 32.600 0.020 0.000 1.498 804 M HN 0.683 nan 8.290 nan 0.000 0.445 805 K N 0.652 121.042 120.400 -0.017 0.000 2.160 805 K HA -0.174 4.145 4.320 -0.002 0.000 0.206 805 K C 1.729 178.290 176.600 -0.064 0.000 1.047 805 K CA 1.355 57.605 56.287 -0.062 0.000 0.930 805 K CB -0.471 31.977 32.500 -0.087 0.000 0.720 805 K HN 0.605 nan 8.250 nan 0.000 0.450 806 L N 0.640 121.855 121.223 -0.013 0.000 2.187 806 L HA -0.145 4.194 4.340 -0.002 0.000 0.213 806 L C 1.888 178.766 176.870 0.013 0.000 1.100 806 L CA 1.373 56.209 54.840 -0.006 0.000 0.765 806 L CB -0.520 41.551 42.059 0.020 0.000 0.904 806 L HN 0.092 nan 8.230 nan 0.000 0.437 807 F N 0.256 120.126 119.950 -0.132 0.000 2.126 807 F HA -0.187 4.339 4.527 -0.002 0.000 0.299 807 F C 2.158 177.683 175.800 -0.458 0.000 1.096 807 F CA 1.508 59.395 58.000 -0.188 0.000 1.255 807 F CB -0.576 38.350 39.000 -0.122 0.000 0.997 807 F HN 0.142 nan 8.300 nan 0.000 0.479 808 A N -1.020 121.354 122.820 -0.744 0.000 2.115 808 A HA 0.059 4.378 4.320 -0.002 0.000 0.211 808 A C 2.058 179.367 177.584 -0.458 0.000 1.169 808 A CA 0.598 51.833 52.037 -1.336 0.000 0.787 808 A CB -0.589 17.713 19.000 -1.162 0.000 0.858 808 A HN 0.420 nan 8.150 nan 0.000 0.474 809 E N 0.331 120.389 120.200 -0.236 0.000 2.274 809 E HA -0.213 4.136 4.350 -0.002 0.000 0.194 809 E C 2.058 178.661 176.600 0.004 0.000 0.996 809 E CA 1.017 57.392 56.400 -0.041 0.000 0.840 809 E CB -0.082 29.575 29.700 -0.071 0.000 0.772 809 E HN 0.890 nan 8.360 nan 0.000 0.491 810 Q N 0.019 119.793 119.800 -0.043 0.000 2.364 810 Q HA -0.119 4.220 4.340 -0.002 0.000 0.209 810 Q C 1.710 177.759 176.000 0.082 0.000 0.977 810 Q CA 1.534 57.348 55.803 0.018 0.000 0.885 810 Q CB -0.193 28.560 28.738 0.024 0.000 0.941 810 Q HN 0.285 nan 8.270 nan 0.000 0.464 811 V N -2.826 117.140 119.914 0.086 0.000 3.621 811 V HA 0.226 4.345 4.120 -0.002 0.000 0.285 811 V C 1.988 178.016 176.094 -0.110 0.000 1.346 811 V CA 0.309 62.694 62.300 0.142 0.000 1.104 811 V CB -0.133 31.785 31.823 0.158 0.000 0.913 811 V HN 0.107 nan 8.190 nan 0.000 0.432 812 R N 2.311 122.740 120.500 -0.118 0.000 2.112 812 R HA -0.176 4.163 4.340 -0.002 0.000 0.242 812 R C 2.049 178.155 176.300 -0.323 0.000 1.137 812 R CA 2.873 58.875 56.100 -0.164 0.000 0.944 812 R CB -1.599 28.711 30.300 0.017 0.000 0.857 812 R HN 0.530 nan 8.270 nan 0.000 0.435 813 T N -0.165 114.084 114.554 -0.508 0.000 2.849 813 T HA -0.149 4.200 4.350 -0.002 0.000 0.270 813 T C 0.916 175.181 174.700 -0.724 0.000 1.066 813 T CA 1.714 63.407 62.100 -0.678 0.000 1.130 813 T CB -0.314 68.007 68.868 -0.911 0.000 0.864 813 T HN 0.344 nan 8.240 nan 0.000 0.481 814 Y N 0.095 120.335 120.300 -0.100 0.000 2.497 814 Y HA 0.372 4.921 4.550 -0.002 0.000 0.265 814 Y C 1.026 176.830 175.900 -0.161 0.000 1.111 814 Y CA -1.138 56.898 58.100 -0.107 0.000 1.288 814 Y CB -0.406 38.000 38.460 -0.089 0.000 1.082 814 Y HN -0.078 nan 8.280 nan 0.000 0.536 815 V N 5.660 125.456 119.914 -0.196 0.000 2.446 815 V HA 0.012 4.131 4.120 -0.002 0.000 0.276 815 V C -1.173 174.810 176.094 -0.185 0.000 1.030 815 V CA -0.993 61.136 62.300 -0.284 0.000 1.033 815 V CB 0.962 32.425 31.823 -0.599 0.000 0.993 815 V HN 0.154 nan 8.190 nan 0.000 0.477 816 P HA 0.079 nan 4.420 nan 0.000 0.247 816 P C 0.140 177.402 177.300 -0.064 0.000 1.225 816 P CA 0.371 63.420 63.100 -0.083 0.000 0.768 816 P CB 0.371 32.029 31.700 -0.070 0.000 1.020 817 A N 0.104 122.880 122.820 -0.073 0.000 2.325 817 A HA 0.371 4.690 4.320 -0.002 0.000 0.333 817 A C 0.979 178.555 177.584 -0.012 0.000 1.155 817 A CA -0.545 51.477 52.037 -0.026 0.000 0.814 817 A CB 0.802 19.800 19.000 -0.002 0.000 1.206 817 A HN -0.196 nan 8.150 nan 0.000 0.482 818 D N 0.265 120.667 120.400 0.003 0.000 2.144 818 D HA -0.052 4.587 4.640 -0.002 0.000 0.200 818 D C -0.246 176.071 176.300 0.028 0.000 0.978 818 D CA 1.530 55.534 54.000 0.007 0.000 0.833 818 D CB 0.181 40.984 40.800 0.005 0.000 0.961 818 D HN 0.646 nan 8.370 nan 0.000 0.470 819 D N -1.168 119.259 120.400 0.045 0.000 2.256 819 D HA 0.184 4.823 4.640 -0.002 0.000 0.240 819 D C -1.464 174.915 176.300 0.132 0.000 1.062 819 D CA -0.560 53.477 54.000 0.061 0.000 0.832 819 D CB 0.782 41.602 40.800 0.034 0.000 1.135 819 D HN -0.167 nan 8.370 nan 0.000 0.484 820 Y N 3.218 123.498 120.300 -0.034 0.000 2.315 820 Y HA 0.473 5.022 4.550 -0.002 0.000 0.324 820 Y C -1.536 174.340 175.900 -0.040 0.000 1.062 820 Y CA -1.086 56.992 58.100 -0.037 0.000 1.159 820 Y CB 0.910 39.340 38.460 -0.049 0.000 1.145 820 Y HN 0.287 nan 8.280 nan 0.000 0.442 821 R N 4.316 124.618 120.500 -0.331 0.000 2.445 821 R HA 0.807 5.146 4.340 -0.002 0.000 0.308 821 R C -2.147 173.860 176.300 -0.488 0.000 0.961 821 R CA -0.663 55.242 56.100 -0.324 0.000 0.862 821 R CB 1.355 31.562 30.300 -0.156 0.000 1.144 821 R HN 0.449 nan 8.270 nan 0.000 0.447 822 V N 6.220 125.876 119.914 -0.430 0.000 2.495 822 V HA 0.471 4.590 4.120 -0.002 0.000 0.298 822 V C -0.232 175.729 176.094 -0.223 0.000 1.031 822 V CA -0.778 61.287 62.300 -0.392 0.000 0.871 822 V CB 1.638 33.208 31.823 -0.421 0.000 0.988 822 V HN 0.633 nan 8.190 nan 0.000 0.432 823 L N 3.847 124.968 121.223 -0.170 0.000 2.334 823 L HA 0.998 5.337 4.340 -0.002 0.000 0.272 823 L C 0.570 177.376 176.870 -0.106 0.000 1.020 823 L CA -0.242 54.523 54.840 -0.125 0.000 0.812 823 L CB 1.976 43.977 42.059 -0.096 0.000 1.264 823 L HN 0.813 nan 8.230 nan 0.000 0.439 824 G N -0.811 107.931 108.800 -0.097 0.000 2.559 824 G HA2 0.379 4.338 3.960 -0.002 0.000 0.291 824 G HA3 0.379 4.338 3.960 -0.002 0.000 0.291 824 G C -0.377 174.472 174.900 -0.085 0.000 1.424 824 G CA -0.105 44.950 45.100 -0.074 0.000 0.786 824 G HN 0.497 nan 8.290 nan 0.000 0.485 825 T N -1.117 113.343 114.554 -0.156 0.000 3.284 825 T HA 0.312 4.661 4.350 -0.002 0.000 0.249 825 T C -0.199 174.377 174.700 -0.207 0.000 0.944 825 T CA -0.278 61.623 62.100 -0.330 0.000 0.919 825 T CB -0.544 67.882 68.868 -0.736 0.000 1.089 825 T HN 0.304 nan 8.240 nan 0.000 0.576 826 D N 1.744 122.129 120.400 -0.024 0.000 2.506 826 D HA 0.453 5.092 4.640 -0.002 0.000 0.234 826 D C 1.026 177.410 176.300 0.140 0.000 1.143 826 D CA 1.590 55.590 54.000 -0.001 0.000 0.871 826 D CB 0.081 40.868 40.800 -0.022 0.000 1.190 826 D HN 0.757 nan 8.370 nan 0.000 0.459 827 G N 0.151 108.979 108.800 0.046 0.000 2.539 827 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.686 827 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.686 827 G C -0.907 174.109 174.900 0.193 0.000 1.258 827 G CA -1.210 43.971 45.100 0.135 0.000 0.846 827 G HN 0.250 nan 8.290 nan 0.000 0.647 828 F N 1.368 121.455 119.950 0.228 0.000 2.471 828 F HA 0.497 5.023 4.527 -0.002 0.000 0.353 828 F C 1.680 177.682 175.800 0.338 0.000 1.113 828 F CA 1.257 59.379 58.000 0.203 0.000 1.262 828 F CB 0.972 40.042 39.000 0.116 0.000 1.146 828 F HN 0.748 nan 8.300 nan 0.000 0.578 829 G N 2.676 111.779 108.800 0.504 0.000 2.651 829 G HA2 0.562 4.521 3.960 -0.002 0.000 0.260 829 G HA3 0.562 4.521 3.960 -0.002 0.000 0.260 829 G C -0.685 174.382 174.900 0.278 0.000 1.216 829 G CA -0.716 44.646 45.100 0.436 0.000 0.913 829 G HN 0.780 nan 8.290 nan 0.000 0.535 830 R N -1.845 118.771 120.500 0.193 0.000 2.712 830 R HA 0.434 4.773 4.340 -0.002 0.000 0.272 830 R C -1.355 174.977 176.300 0.053 0.000 1.032 830 R CA -0.827 55.315 56.100 0.070 0.000 0.874 830 R CB 0.587 30.864 30.300 -0.038 0.000 1.256 830 R HN 0.386 nan 8.270 nan 0.000 0.468 831 S N 0.745 116.456 115.700 0.019 0.000 2.489 831 S HA 0.425 4.894 4.470 -0.002 0.000 0.277 831 S C -0.674 173.929 174.600 0.005 0.000 1.230 831 S CA -0.273 57.937 58.200 0.017 0.000 1.053 831 S CB 0.591 63.794 63.200 0.006 0.000 0.955 831 S HN 0.554 nan 8.310 nan 0.000 0.488 832 D N 0.046 120.459 120.400 0.022 0.000 2.809 832 D HA 0.174 4.813 4.640 -0.002 0.000 0.336 832 D C -0.746 175.578 176.300 0.040 0.000 1.367 832 D CA -0.359 53.654 54.000 0.021 0.000 0.815 832 D CB 1.192 41.998 40.800 0.009 0.000 1.381 832 D HN 0.532 nan 8.370 nan 0.000 0.471 833 S N -0.301 115.425 115.700 0.044 0.000 2.600 833 S HA 0.315 4.784 4.470 -0.002 0.000 0.265 833 S C 1.306 175.950 174.600 0.073 0.000 1.325 833 S CA -0.272 57.961 58.200 0.054 0.000 1.002 833 S CB 1.462 64.694 63.200 0.052 0.000 0.921 833 S HN 0.487 nan 8.310 nan 0.000 0.554 834 R N 0.729 121.277 120.500 0.079 0.000 2.091 834 R HA -0.143 4.196 4.340 -0.002 0.000 0.238 834 R C 2.414 178.772 176.300 0.097 0.000 1.136 834 R CA 1.797 57.951 56.100 0.089 0.000 0.959 834 R CB -0.497 29.863 30.300 0.100 0.000 0.856 834 R HN 0.936 nan 8.270 nan 0.000 0.437 835 E N 0.841 121.102 120.200 0.102 0.000 2.058 835 E HA -0.219 4.130 4.350 -0.002 0.000 0.194 835 E C 1.580 178.257 176.600 0.128 0.000 0.997 835 E CA 1.387 57.853 56.400 0.110 0.000 0.801 835 E CB 0.045 29.801 29.700 0.093 0.000 0.746 835 E HN 0.222 nan 8.360 nan 0.000 0.450 836 N N 0.420 119.186 118.700 0.110 0.000 2.120 836 N HA -0.128 4.611 4.740 -0.002 0.000 0.188 836 N C 1.938 177.551 175.510 0.173 0.000 1.024 836 N CA 0.945 54.072 53.050 0.128 0.000 0.852 836 N CB -0.216 38.317 38.487 0.076 0.000 1.003 836 N HN 0.255 nan 8.380 nan 0.000 0.424 837 L N 0.419 121.739 121.223 0.161 0.000 2.141 837 L HA -0.035 4.304 4.340 -0.002 0.000 0.209 837 L C 2.225 179.274 176.870 0.297 0.000 1.094 837 L CA 0.837 55.825 54.840 0.246 0.000 0.763 837 L CB -0.183 42.033 42.059 0.262 0.000 0.908 837 L HN 0.101 nan 8.230 nan 0.000 0.437 838 R N -1.355 119.255 120.500 0.184 0.000 2.148 838 R HA -0.150 4.189 4.340 -0.002 0.000 0.223 838 R C 2.153 178.535 176.300 0.136 0.000 1.088 838 R CA 0.869 57.034 56.100 0.108 0.000 0.985 838 R CB -0.234 30.049 30.300 -0.028 0.000 0.880 838 R HN 0.321 nan 8.270 nan 0.000 0.451 839 H N -0.651 118.487 119.070 0.112 0.000 2.384 839 H HA -0.071 4.484 4.556 -0.002 0.000 0.300 839 H C 1.972 177.332 175.328 0.052 0.000 1.057 839 H CA 1.748 57.898 56.048 0.170 0.000 1.370 839 H CB 0.023 29.898 29.762 0.189 0.000 1.417 839 H HN 0.230 nan 8.280 nan 0.000 0.527 840 H N -0.789 118.282 119.070 0.001 0.000 2.319 840 H HA -0.136 4.419 4.556 -0.002 0.000 0.299 840 H C 1.191 176.294 175.328 -0.376 0.000 1.092 840 H CA 2.061 57.986 56.048 -0.204 0.000 1.302 840 H CB -0.472 29.125 29.762 -0.275 0.000 1.373 840 H HN 0.312 nan 8.280 nan 0.000 0.497 841 F N 1.105 120.914 119.950 -0.235 0.000 2.811 841 F HA 0.086 4.612 4.527 -0.002 0.000 0.301 841 F C 0.417 175.942 175.800 -0.458 0.000 1.151 841 F CA 0.874 58.684 58.000 -0.318 0.000 1.412 841 F CB -0.190 38.728 39.000 -0.135 0.000 1.113 841 F HN 0.254 nan 8.300 nan 0.000 0.579 842 E N -0.799 119.049 120.200 -0.586 0.000 2.320 842 E HA -0.190 4.159 4.350 -0.002 0.000 0.234 842 E C 0.587 176.840 176.600 -0.579 0.000 1.183 842 E CA 0.492 56.155 56.400 -1.229 0.000 0.713 842 E CB -1.935 27.022 29.700 -1.238 0.000 1.226 842 E HN 0.417 nan 8.360 nan 0.000 0.382 843 V N -3.064 116.697 119.914 -0.255 0.000 3.398 843 V HA 0.084 4.203 4.120 -0.002 0.000 0.298 843 V C 0.702 176.782 176.094 -0.024 0.000 1.496 843 V CA 0.341 62.583 62.300 -0.098 0.000 1.044 843 V CB 0.107 31.879 31.823 -0.086 0.000 0.880 843 V HN 0.288 nan 8.190 nan 0.000 0.443 844 D N 1.442 121.868 120.400 0.044 0.000 2.414 844 D HA 0.470 5.109 4.640 -0.002 0.000 0.251 844 D C 1.620 177.982 176.300 0.105 0.000 1.252 844 D CA 0.367 54.409 54.000 0.070 0.000 0.999 844 D CB 1.251 42.139 40.800 0.147 0.000 1.093 844 D HN 0.158 nan 8.370 nan 0.000 0.515 845 A N 0.232 123.119 122.820 0.112 0.000 1.892 845 A HA -0.219 4.100 4.320 -0.002 0.000 0.218 845 A C 2.195 179.680 177.584 -0.165 0.000 1.188 845 A CA 3.145 55.195 52.037 0.022 0.000 0.631 845 A CB -1.475 17.552 19.000 0.045 0.000 0.822 845 A HN 0.713 nan 8.150 nan 0.000 0.447 846 S N -1.402 114.131 115.700 -0.279 0.000 2.383 846 S HA -0.226 4.243 4.470 -0.002 0.000 0.229 846 S C 1.879 176.133 174.600 -0.576 0.000 1.030 846 S CA 1.597 59.321 58.200 -0.792 0.000 1.002 846 S CB -0.869 61.917 63.200 -0.691 0.000 0.829 846 S HN 0.590 nan 8.310 nan 0.000 0.467 847 Y N 1.515 121.674 120.300 -0.234 0.000 2.263 847 Y HA 0.051 4.600 4.550 -0.002 0.000 0.292 847 Y C 2.764 178.575 175.900 -0.149 0.000 1.130 847 Y CA 0.840 58.836 58.100 -0.174 0.000 1.179 847 Y CB -0.467 37.901 38.460 -0.152 0.000 0.998 847 Y HN 0.128 nan 8.280 nan 0.000 0.532 848 V N -1.064 118.854 119.914 0.007 0.000 2.295 848 V HA -0.277 3.842 4.120 -0.002 0.000 0.246 848 V C 2.189 178.243 176.094 -0.066 0.000 1.049 848 V CA 1.615 63.905 62.300 -0.017 0.000 1.024 848 V CB -0.820 31.005 31.823 0.002 0.000 0.648 848 V HN 0.218 nan 8.190 nan 0.000 0.447 849 V N -0.318 119.512 119.914 -0.139 0.000 2.255 849 V HA -0.244 3.875 4.120 -0.002 0.000 0.247 849 V C 2.433 178.440 176.094 -0.145 0.000 1.051 849 V CA 2.076 64.285 62.300 -0.152 0.000 1.018 849 V CB -0.487 31.208 31.823 -0.213 0.000 0.641 849 V HN 0.408 nan 8.190 nan 0.000 0.445 850 V N 0.168 119.993 119.914 -0.150 0.000 2.407 850 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 850 V C 2.638 178.696 176.094 -0.060 0.000 1.055 850 V CA 1.967 64.216 62.300 -0.084 0.000 1.049 850 V CB -1.032 30.740 31.823 -0.086 0.000 0.662 850 V HN 0.574 nan 8.190 nan 0.000 0.455 851 A N -0.189 122.604 122.820 -0.045 0.000 1.898 851 A HA -0.045 4.274 4.320 -0.002 0.000 0.216 851 A C 2.416 179.974 177.584 -0.042 0.000 1.181 851 A CA 1.873 53.890 52.037 -0.033 0.000 0.620 851 A CB -0.659 18.325 19.000 -0.027 0.000 0.819 851 A HN 0.548 nan 8.150 nan 0.000 0.442 852 A N -0.090 122.700 122.820 -0.050 0.000 1.873 852 A HA -0.006 4.313 4.320 -0.002 0.000 0.215 852 A C 2.130 179.680 177.584 -0.058 0.000 1.186 852 A CA 1.420 53.432 52.037 -0.042 0.000 0.616 852 A CB -0.629 18.349 19.000 -0.037 0.000 0.823 852 A HN 0.461 nan 8.150 nan 0.000 0.442 853 L N -0.586 120.576 121.223 -0.102 0.000 2.131 853 L HA -0.120 4.219 4.340 -0.002 0.000 0.210 853 L C 2.761 179.596 176.870 -0.059 0.000 1.092 853 L CA 0.962 55.734 54.840 -0.113 0.000 0.759 853 L CB -0.813 41.127 42.059 -0.198 0.000 0.903 853 L HN 0.494 nan 8.230 nan 0.000 0.435 854 G N -0.187 108.585 108.800 -0.047 0.000 2.432 854 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.219 854 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.219 854 G C 1.441 176.330 174.900 -0.019 0.000 1.135 854 G CA 0.502 45.586 45.100 -0.027 0.000 0.767 854 G HN 0.447 nan 8.290 nan 0.000 0.550 855 E N 0.021 120.209 120.200 -0.019 0.000 2.076 855 E HA 0.072 4.421 4.350 -0.002 0.000 0.190 855 E C 2.469 179.068 176.600 -0.002 0.000 0.979 855 E CA 0.186 56.581 56.400 -0.008 0.000 0.807 855 E CB -0.162 29.537 29.700 -0.002 0.000 0.761 855 E HN 0.341 nan 8.360 nan 0.000 0.454 856 L N 0.660 121.879 121.223 -0.006 0.000 2.265 856 L HA -0.122 4.217 4.340 -0.002 0.000 0.215 856 L C 2.401 179.273 176.870 0.003 0.000 1.117 856 L CA 0.672 55.513 54.840 0.002 0.000 0.782 856 L CB -0.296 41.763 42.059 -0.001 0.000 0.914 856 L HN 0.159 nan 8.230 nan 0.000 0.441 857 A N -0.256 122.562 122.820 -0.002 0.000 1.975 857 A HA -0.091 4.228 4.320 -0.002 0.000 0.215 857 A C 2.182 179.768 177.584 0.003 0.000 1.170 857 A CA 0.711 52.749 52.037 0.002 0.000 0.656 857 A CB -0.100 18.899 19.000 -0.002 0.000 0.821 857 A HN 0.241 nan 8.150 nan 0.000 0.449 858 K N -0.276 120.124 120.400 0.000 0.000 2.439 858 K HA -0.019 4.300 4.320 -0.002 0.000 0.197 858 K C 1.427 178.030 176.600 0.004 0.000 1.041 858 K CA 0.727 57.015 56.287 0.001 0.000 0.970 858 K CB -0.022 32.477 32.500 -0.001 0.000 0.773 858 K HN 0.402 nan 8.250 nan 0.000 0.479 859 R N -0.671 119.832 120.500 0.006 0.000 2.312 859 R HA 0.077 4.416 4.340 -0.002 0.000 0.205 859 R C 1.158 177.464 176.300 0.010 0.000 0.904 859 R CA 0.516 56.621 56.100 0.008 0.000 1.052 859 R CB 0.682 30.988 30.300 0.011 0.000 1.014 859 R HN 0.308 nan 8.270 nan 0.000 0.503 860 G N 1.468 110.274 108.800 0.010 0.000 2.253 860 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.251 860 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.251 860 G C 0.737 175.645 174.900 0.015 0.000 0.998 860 G CA 0.438 45.544 45.100 0.011 0.000 0.621 860 G HN 0.424 nan 8.290 nan 0.000 0.524 861 E N 0.223 120.433 120.200 0.016 0.000 2.331 861 E HA 0.091 4.440 4.350 -0.002 0.000 0.199 861 E C 1.353 177.970 176.600 0.027 0.000 1.008 861 E CA 1.243 57.656 56.400 0.021 0.000 0.843 861 E CB -0.124 29.589 29.700 0.023 0.000 0.761 861 E HN 0.907 nan 8.360 nan 0.000 0.507 862 I N -3.991 116.594 120.570 0.025 0.000 3.006 862 I HA 0.368 4.537 4.170 -0.002 0.000 0.306 862 I C -0.879 175.254 176.117 0.026 0.000 1.250 862 I CA -1.281 60.039 61.300 0.033 0.000 0.996 862 I CB 2.093 40.118 38.000 0.042 0.000 1.261 862 I HN -0.366 nan 8.210 nan 0.000 0.442 863 D N 2.696 123.115 120.400 0.031 0.000 2.351 863 D HA 0.145 4.784 4.640 -0.002 0.000 0.251 863 D C 0.722 177.036 176.300 0.023 0.000 1.137 863 D CA 0.006 54.021 54.000 0.025 0.000 0.879 863 D CB 1.809 42.625 40.800 0.026 0.000 1.181 863 D HN 0.590 nan 8.370 nan 0.000 0.448 864 K N 2.487 122.897 120.400 0.016 0.000 2.173 864 K HA -0.226 4.093 4.320 -0.002 0.000 0.207 864 K C 1.766 178.376 176.600 0.017 0.000 1.046 864 K CA 1.135 57.430 56.287 0.012 0.000 0.929 864 K CB 0.137 32.642 32.500 0.009 0.000 0.720 864 K HN 0.349 nan 8.250 nan 0.000 0.453 865 K N 1.017 121.429 120.400 0.020 0.000 2.147 865 K HA -0.142 4.177 4.320 -0.002 0.000 0.205 865 K C 1.978 178.599 176.600 0.035 0.000 1.049 865 K CA 1.371 57.672 56.287 0.023 0.000 0.936 865 K CB 0.009 32.521 32.500 0.020 0.000 0.722 865 K HN 0.154 nan 8.250 nan 0.000 0.446 866 V N -1.002 118.941 119.914 0.048 0.000 2.515 866 V HA -0.162 3.957 4.120 -0.002 0.000 0.250 866 V C 2.079 178.212 176.094 0.066 0.000 1.058 866 V CA 1.634 63.985 62.300 0.085 0.000 1.064 866 V CB -0.761 31.133 31.823 0.118 0.000 0.675 866 V HN 0.226 nan 8.190 nan 0.000 0.461 867 V N 0.014 119.943 119.914 0.025 0.000 2.379 867 V HA 0.062 4.181 4.120 -0.002 0.000 0.245 867 V C 2.790 178.898 176.094 0.024 0.000 1.044 867 V CA 1.951 64.254 62.300 0.005 0.000 1.036 867 V CB -1.370 30.448 31.823 -0.009 0.000 0.664 867 V HN 0.598 nan 8.190 nan 0.000 0.453 868 A N 0.632 123.465 122.820 0.023 0.000 1.908 868 A HA -0.228 4.091 4.320 -0.002 0.000 0.218 868 A C 1.983 179.581 177.584 0.024 0.000 1.181 868 A CA 2.083 54.133 52.037 0.021 0.000 0.627 868 A CB -0.892 18.117 19.000 0.016 0.000 0.818 868 A HN 0.642 nan 8.150 nan 0.000 0.445 869 D N 0.004 120.421 120.400 0.029 0.000 2.178 869 D HA -0.015 4.624 4.640 -0.002 0.000 0.202 869 D C 2.198 178.503 176.300 0.010 0.000 0.974 869 D CA 1.312 55.323 54.000 0.019 0.000 0.841 869 D CB -0.314 40.503 40.800 0.029 0.000 0.953 869 D HN 0.451 nan 8.370 nan 0.000 0.478 870 A N 1.063 123.918 122.820 0.058 0.000 1.898 870 A HA -0.113 4.206 4.320 -0.002 0.000 0.216 870 A C 2.354 180.008 177.584 0.117 0.000 1.181 870 A CA 0.665 52.749 52.037 0.078 0.000 0.620 870 A CB -0.647 18.460 19.000 0.178 0.000 0.819 870 A HN 0.143 nan 8.150 nan 0.000 0.442 871 I N -0.244 120.385 120.570 0.099 0.000 2.163 871 I HA -0.326 3.843 4.170 -0.002 0.000 0.243 871 I C 2.970 179.122 176.117 0.058 0.000 1.085 871 I CA 1.231 62.581 61.300 0.082 0.000 1.347 871 I CB -0.314 37.708 38.000 0.035 0.000 1.044 871 I HN 0.382 nan 8.210 nan 0.000 0.408 872 A N 0.497 123.326 122.820 0.016 0.000 1.873 872 A HA -0.238 4.081 4.320 -0.002 0.000 0.215 872 A C 2.389 179.949 177.584 -0.040 0.000 1.186 872 A CA 1.693 53.729 52.037 -0.002 0.000 0.616 872 A CB -0.545 18.448 19.000 -0.011 0.000 0.823 872 A HN 0.335 nan 8.150 nan 0.000 0.442 873 K N -1.225 119.101 120.400 -0.122 0.000 2.089 873 K HA -0.190 4.129 4.320 -0.002 0.000 0.210 873 K C 0.947 177.371 176.600 -0.293 0.000 1.048 873 K CA 1.875 57.999 56.287 -0.270 0.000 0.926 873 K CB -0.312 31.909 32.500 -0.464 0.000 0.714 873 K HN 0.403 nan 8.250 nan 0.000 0.448 874 F N 1.637 121.590 119.950 0.006 0.000 2.773 874 F HA 0.151 4.676 4.527 -0.002 0.000 0.304 874 F C 0.068 175.870 175.800 0.003 0.000 1.129 874 F CA -0.086 57.913 58.000 -0.002 0.000 1.378 874 F CB -0.263 38.719 39.000 -0.029 0.000 1.095 874 F HN 0.095 nan 8.300 nan 0.000 0.565 875 N N 1.376 120.153 118.700 0.128 0.000 2.696 875 N HA -0.235 4.504 4.740 -0.002 0.000 0.256 875 N C -0.472 175.148 175.510 0.184 0.000 1.031 875 N CA 0.544 53.658 53.050 0.107 0.000 0.730 875 N CB -1.498 37.026 38.487 0.062 0.000 0.894 875 N HN 0.328 nan 8.380 nan 0.000 0.544 876 I N 0.473 121.126 120.570 0.138 0.000 2.336 876 I HA 0.086 4.255 4.170 -0.002 0.000 0.292 876 I C 0.527 176.698 176.117 0.089 0.000 0.991 876 I CA -0.628 60.724 61.300 0.088 0.000 1.227 876 I CB 1.382 39.291 38.000 -0.152 0.000 1.366 876 I HN -0.072 nan 8.210 nan 0.000 0.466 877 D N 6.062 126.538 120.400 0.127 0.000 2.422 877 D HA 0.222 4.861 4.640 -0.002 0.000 0.227 877 D C 0.915 177.260 176.300 0.075 0.000 1.190 877 D CA -0.101 53.954 54.000 0.093 0.000 0.905 877 D CB 1.505 42.365 40.800 0.101 0.000 1.034 877 D HN 0.639 nan 8.370 nan 0.000 0.507 878 A N 3.858 126.711 122.820 0.055 0.000 2.125 878 A HA -0.124 4.195 4.320 -0.002 0.000 0.219 878 A C 1.318 178.922 177.584 0.033 0.000 1.156 878 A CA 0.976 53.040 52.037 0.046 0.000 0.671 878 A CB 0.129 19.149 19.000 0.032 0.000 0.794 878 A HN 0.531 nan 8.150 nan 0.000 0.459 879 D N -0.303 120.115 120.400 0.030 0.000 2.395 879 D HA 0.067 4.706 4.640 -0.002 0.000 0.213 879 D C 0.333 176.642 176.300 0.015 0.000 1.110 879 D CA 0.012 54.024 54.000 0.019 0.000 0.835 879 D CB 0.157 40.968 40.800 0.018 0.000 0.965 879 D HN 0.729 nan 8.370 nan 0.000 0.505 880 K N 0.485 120.896 120.400 0.018 0.000 2.276 880 K HA 0.205 4.524 4.320 -0.002 0.000 0.259 880 K C 0.460 177.051 176.600 -0.016 0.000 1.001 880 K CA -0.572 55.721 56.287 0.009 0.000 0.927 880 K CB 1.386 33.896 32.500 0.016 0.000 0.969 880 K HN -0.241 nan 8.250 nan 0.000 0.490 881 V N 2.108 122.013 119.914 -0.014 0.000 2.872 881 V HA -0.084 4.035 4.120 -0.002 0.000 0.307 881 V C 0.243 176.299 176.094 -0.063 0.000 1.072 881 V CA -0.180 62.107 62.300 -0.023 0.000 1.148 881 V CB 0.567 32.389 31.823 -0.002 0.000 0.954 881 V HN 0.977 nan 8.190 nan 0.000 0.490 882 N N 6.267 124.932 118.700 -0.058 0.000 2.411 882 N HA 0.085 4.824 4.740 -0.002 0.000 0.261 882 N C -1.751 173.695 175.510 -0.106 0.000 1.248 882 N CA -0.939 52.060 53.050 -0.086 0.000 0.885 882 N CB 1.467 39.920 38.487 -0.056 0.000 1.062 882 N HN 0.429 nan 8.380 nan 0.000 0.471 883 P HA -0.150 nan 4.420 nan 0.000 0.217 883 P C 1.211 178.494 177.300 -0.028 0.000 1.148 883 P CA 1.148 64.102 63.100 -0.243 0.000 0.828 883 P CB 0.140 31.606 31.700 -0.390 0.000 0.783 884 R N -0.509 119.983 120.500 -0.014 0.000 2.152 884 R HA -0.102 4.237 4.340 -0.002 0.000 0.232 884 R C 1.214 177.531 176.300 0.029 0.000 1.117 884 R CA 1.158 57.261 56.100 0.006 0.000 0.981 884 R CB -0.465 29.819 30.300 -0.027 0.000 0.870 884 R HN 0.130 nan 8.270 nan 0.000 0.451 885 L N -0.082 121.157 121.223 0.028 0.000 2.554 885 L HA 0.300 4.639 4.340 -0.002 0.000 0.225 885 L C 0.969 177.887 176.870 0.080 0.000 1.104 885 L CA 0.394 55.265 54.840 0.052 0.000 0.866 885 L CB -0.310 41.763 42.059 0.023 0.000 1.047 885 L HN 0.096 nan 8.230 nan 0.000 0.468 886 A N 0.000 122.869 122.820 0.082 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 886 A CA 0.000 52.095 52.037 0.097 0.000 0.836 886 A CB 0.000 19.081 19.000 0.136 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486