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 1xfu_1_A DATA FIRST_RESID 64 DATA SEQUENCE NNLVKTEFTN ETLDKIQQTQ DLLKKIPKDV LEIYSELGGE IYFTDIDLVE DATA SEQUENCE HKELQDLSEE EKNSMNSRGE KVPFASRFVF EKKRETPKLI INIKDYAINS DATA SEQUENCE EQSKEVYYEI GKGISLDIIS KDKSLDPEFL NLIKSLSDDS DSSDLLFSQK DATA SEQUENCE FKEKLELNNK SIDINFIKEN LTEFQHAFSL AFSYYFAPDH RTVLELYAPD DATA SEQUENCE MFEYMNKLEK GGFEKISESL KKEGVEKDRI DVLKGEKALK ASGLVPEHAD DATA SEQUENCE AFKKIARELN TYILFRPVNK LATNLIKSGV ATKGLNVHGK SSDWGPVAGY DATA SEQUENCE IPFDQDLSKK HGQQLAVEKG NLENKKSITE HEGEIGKIPL KLDHLRIEEL DATA SEQUENCE KENGIILKGK KEIDNGKKYY LLESNNQVYE FRISDENNEV QYKTKEGKIT DATA SEQUENCE VLGEKFNWRN IEVMAKNVEG VLKPLTADYD LFALAPSLTE IKKQIPQKEW DATA SEQUENCE DKVVNTPNSL EKQKGVTNLL IKYGIERKPD STKGTLSNWQ KQMLDRLNEA DATA SEQUENCE VKYTGYTGGD VVNHGTEQDN EEFPEKDNEI FIINPEGEFI LTKNWEMTGR DATA SEQUENCE FIEKNITGKD YLYYFNRSYN KIAPGNKAYI EWTDPITKAK INTIPTSAEF DATA SEQUENCE IKNLSSIRRS SNVGVYKDSG DKDEFAKKES VKKIAGYLSD YYNSANHIFS DATA SEQUENCE QEKKRKISIF RGIQAYNEIE NVLKSKQIAP EYKNYFQYLK ERITNQVQLL DATA SEQUENCE LTHQKSNIEF KLLYKQLNFT ENETDNFEVF QKIID 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 64 N HA 0.000 nan 4.740 nan 0.000 0.220 64 N C 0.000 175.495 175.510 -0.025 0.000 1.280 64 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 64 N CB 0.000 38.475 38.487 -0.019 0.000 1.341 65 N N 1.093 119.778 118.700 -0.025 0.000 2.429 65 N HA 0.037 4.777 4.740 -0.001 0.000 0.271 65 N C 1.069 176.541 175.510 -0.063 0.000 1.272 65 N CA -0.124 52.908 53.050 -0.031 0.000 0.921 65 N CB 0.737 39.213 38.487 -0.019 0.000 1.128 65 N HN 0.324 nan 8.380 nan 0.000 0.481 66 L N 4.540 125.721 121.223 -0.069 0.000 2.056 66 L HA 0.086 4.426 4.340 -0.001 0.000 0.207 66 L C 0.470 177.224 176.870 -0.192 0.000 1.078 66 L CA 1.346 56.116 54.840 -0.116 0.000 0.749 66 L CB 0.034 42.039 42.059 -0.090 0.000 0.901 66 L HN 0.372 nan 8.230 nan 0.000 0.433 67 V N 1.234 121.070 119.914 -0.129 0.000 2.350 67 V HA 0.404 4.523 4.120 -0.001 0.000 0.276 67 V C -0.517 175.537 176.094 -0.067 0.000 1.028 67 V CA -0.646 61.577 62.300 -0.128 0.000 0.860 67 V CB 0.762 32.590 31.823 0.009 0.000 0.990 67 V HN 0.270 nan 8.190 nan 0.000 0.453 68 K N 4.373 124.693 120.400 -0.134 0.000 2.265 68 K HA 0.524 4.843 4.320 -0.001 0.000 0.267 68 K C -0.094 176.607 176.600 0.169 0.000 0.994 68 K CA -0.145 56.154 56.287 0.021 0.000 0.860 68 K CB 1.535 34.064 32.500 0.048 0.000 1.099 68 K HN 0.862 nan 8.250 nan 0.000 0.448 69 T N 0.057 114.731 114.554 0.201 0.000 2.781 69 T HA 0.218 4.568 4.350 -0.001 0.000 0.305 69 T C 0.834 175.665 174.700 0.219 0.000 1.001 69 T CA -0.756 61.498 62.100 0.257 0.000 0.950 69 T CB 1.302 70.284 68.868 0.190 0.000 0.955 69 T HN 0.423 nan 8.240 nan 0.000 0.471 70 E N 2.776 123.124 120.200 0.247 0.000 2.007 70 E HA 0.121 4.470 4.350 -0.001 0.000 0.194 70 E C -0.392 176.329 176.600 0.201 0.000 0.999 70 E CA 0.939 57.449 56.400 0.183 0.000 0.811 70 E CB 0.089 29.882 29.700 0.155 0.000 0.762 70 E HN 0.784 nan 8.360 nan 0.000 0.450 71 F N 0.479 120.475 119.950 0.078 0.000 2.388 71 F HA 0.164 4.691 4.527 -0.001 0.000 0.358 71 F C 0.459 176.278 175.800 0.032 0.000 1.122 71 F CA -0.508 57.521 58.000 0.048 0.000 1.056 71 F CB 1.267 40.292 39.000 0.042 0.000 1.155 71 F HN -0.014 nan 8.300 nan 0.000 0.461 72 T N 0.557 115.341 114.554 0.382 0.000 3.272 72 T HA 0.006 4.355 4.350 -0.001 0.000 0.250 72 T C 1.132 175.820 174.700 -0.020 0.000 1.082 72 T CA -0.143 62.033 62.100 0.127 0.000 0.968 72 T CB -0.500 68.435 68.868 0.111 0.000 1.015 72 T HN 0.592 nan 8.240 nan 0.000 0.563 73 N N 2.148 120.679 118.700 -0.283 0.000 2.025 73 N HA -0.177 4.563 4.740 -0.001 0.000 0.188 73 N C 0.492 175.799 175.510 -0.338 0.000 1.058 73 N CA 1.679 54.301 53.050 -0.714 0.000 0.905 73 N CB -0.361 37.203 38.487 -1.539 0.000 1.060 73 N HN 0.503 nan 8.380 nan 0.000 0.577 74 E N -1.099 118.913 120.200 -0.313 0.000 2.552 74 E HA -0.110 4.240 4.350 -0.001 0.000 0.269 74 E C 1.557 178.071 176.600 -0.143 0.000 1.287 74 E CA 0.972 57.254 56.400 -0.197 0.000 1.120 74 E CB -0.023 29.566 29.700 -0.184 0.000 1.010 74 E HN 0.625 nan 8.360 nan 0.000 0.489 75 T N -1.468 113.014 114.554 -0.119 0.000 2.754 75 T HA -0.044 4.305 4.350 -0.001 0.000 0.238 75 T C 1.316 175.960 174.700 -0.094 0.000 1.091 75 T CA 0.458 62.504 62.100 -0.090 0.000 1.358 75 T CB -0.056 68.767 68.868 -0.075 0.000 1.006 75 T HN 0.178 nan 8.240 nan 0.000 0.411 76 L N 0.454 121.610 121.223 -0.111 0.000 2.588 76 L HA 0.212 4.552 4.340 -0.001 0.000 0.194 76 L C 2.376 179.149 176.870 -0.161 0.000 1.070 76 L CA 0.879 55.651 54.840 -0.115 0.000 0.852 76 L CB -1.159 40.842 42.059 -0.096 0.000 1.199 76 L HN 0.268 nan 8.230 nan 0.000 0.486 77 D N 1.281 121.555 120.400 -0.209 0.000 2.558 77 D HA -0.321 4.318 4.640 -0.001 0.000 0.190 77 D C 1.883 178.017 176.300 -0.277 0.000 1.047 77 D CA 2.431 56.245 54.000 -0.311 0.000 0.880 77 D CB -0.008 40.493 40.800 -0.498 0.000 0.926 77 D HN 0.249 nan 8.370 nan 0.000 0.465 78 K N 1.005 121.264 120.400 -0.234 0.000 1.984 78 K HA -0.084 4.235 4.320 -0.001 0.000 0.209 78 K C 2.268 178.735 176.600 -0.222 0.000 1.046 78 K CA 1.073 57.236 56.287 -0.207 0.000 0.934 78 K CB -0.749 31.654 32.500 -0.162 0.000 0.717 78 K HN 0.219 nan 8.250 nan 0.000 0.438 79 I N 0.728 121.189 120.570 -0.182 0.000 2.058 79 I HA -0.254 3.915 4.170 -0.001 0.000 0.235 79 I C 2.219 178.224 176.117 -0.187 0.000 1.053 79 I CA 1.598 62.794 61.300 -0.174 0.000 1.313 79 I CB -0.509 37.423 38.000 -0.113 0.000 1.039 79 I HN 0.356 nan 8.210 nan 0.000 0.396 80 Q N 0.756 120.463 119.800 -0.155 0.000 2.658 80 Q HA -0.208 4.131 4.340 -0.001 0.000 0.219 80 Q C 1.319 177.224 176.000 -0.158 0.000 0.966 80 Q CA 1.143 56.864 55.803 -0.137 0.000 0.988 80 Q CB -0.232 28.435 28.738 -0.118 0.000 0.999 80 Q HN 0.537 nan 8.270 nan 0.000 0.591 81 Q N -2.671 117.005 119.800 -0.206 0.000 2.563 81 Q HA -0.014 4.325 4.340 -0.001 0.000 0.236 81 Q C 1.561 177.381 176.000 -0.300 0.000 0.792 81 Q CA 0.766 56.437 55.803 -0.220 0.000 0.960 81 Q CB 0.239 28.840 28.738 -0.227 0.000 1.304 81 Q HN 0.523 nan 8.270 nan 0.000 0.566 82 T N -0.361 113.924 114.554 -0.447 0.000 2.720 82 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 82 T C 1.695 176.120 174.700 -0.459 0.000 1.037 82 T CA 1.566 63.191 62.100 -0.793 0.000 1.144 82 T CB -0.362 67.708 68.868 -1.331 0.000 0.864 82 T HN 0.291 nan 8.240 nan 0.000 0.444 83 Q N 1.139 120.770 119.800 -0.281 0.000 1.956 83 Q HA -0.182 4.157 4.340 -0.001 0.000 0.208 83 Q C 2.342 178.285 176.000 -0.094 0.000 0.998 83 Q CA 1.877 57.599 55.803 -0.135 0.000 0.855 83 Q CB -0.515 28.164 28.738 -0.097 0.000 0.928 83 Q HN 0.481 nan 8.270 nan 0.000 0.418 84 D N 0.482 120.821 120.400 -0.101 0.000 2.244 84 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 84 D C 1.750 178.026 176.300 -0.041 0.000 1.006 84 D CA 1.006 54.967 54.000 -0.065 0.000 0.888 84 D CB -0.177 40.578 40.800 -0.075 0.000 0.912 84 D HN 0.072 nan 8.370 nan 0.000 0.452 85 L N -0.078 121.101 121.223 -0.073 0.000 2.044 85 L HA -0.053 4.286 4.340 -0.001 0.000 0.205 85 L C 2.341 179.278 176.870 0.111 0.000 1.075 85 L CA 1.192 56.030 54.840 -0.003 0.000 0.747 85 L CB -0.456 41.529 42.059 -0.123 0.000 0.903 85 L HN 0.079 nan 8.230 nan 0.000 0.435 86 L N -0.533 120.753 121.223 0.106 0.000 2.072 86 L HA -0.192 4.147 4.340 -0.001 0.000 0.205 86 L C 2.348 179.259 176.870 0.069 0.000 1.079 86 L CA 1.317 56.236 54.840 0.131 0.000 0.752 86 L CB -0.679 41.462 42.059 0.138 0.000 0.906 86 L HN 0.325 nan 8.230 nan 0.000 0.436 87 K N 0.438 120.863 120.400 0.041 0.000 2.442 87 K HA -0.189 4.130 4.320 -0.001 0.000 0.198 87 K C 1.985 178.612 176.600 0.046 0.000 1.044 87 K CA 1.013 57.320 56.287 0.033 0.000 0.948 87 K CB -0.089 32.420 32.500 0.015 0.000 0.762 87 K HN 0.224 nan 8.250 nan 0.000 0.472 88 K N 2.062 122.496 120.400 0.058 0.000 2.020 88 K HA 0.003 4.323 4.320 -0.001 0.000 0.206 88 K C 0.633 177.272 176.600 0.066 0.000 1.038 88 K CA 0.320 56.654 56.287 0.078 0.000 0.947 88 K CB -0.202 32.352 32.500 0.090 0.000 0.744 88 K HN 0.207 nan 8.250 nan 0.000 0.442 89 I N 4.762 125.344 120.570 0.020 0.000 2.845 89 I HA -0.022 4.147 4.170 -0.001 0.000 0.296 89 I C -1.947 174.107 176.117 -0.105 0.000 1.216 89 I CA -1.472 59.751 61.300 -0.129 0.000 1.438 89 I CB 0.037 38.017 38.000 -0.034 0.000 1.342 89 I HN 0.217 nan 8.210 nan 0.000 0.577 90 P HA -0.011 nan 4.420 nan 0.000 0.266 90 P C 0.124 177.434 177.300 0.016 0.000 1.215 90 P CA -0.261 62.847 63.100 0.012 0.000 0.763 90 P CB 0.882 32.678 31.700 0.159 0.000 0.806 91 K N 3.090 123.515 120.400 0.043 0.000 2.374 91 K HA -0.205 4.114 4.320 -0.001 0.000 0.202 91 K C 1.033 177.649 176.600 0.027 0.000 1.044 91 K CA 1.766 58.071 56.287 0.031 0.000 0.933 91 K CB -0.262 32.263 32.500 0.041 0.000 0.745 91 K HN 0.384 nan 8.250 nan 0.000 0.474 92 D N -1.354 119.077 120.400 0.051 0.000 2.338 92 D HA -0.074 4.566 4.640 -0.001 0.000 0.224 92 D C 1.704 177.970 176.300 -0.056 0.000 0.967 92 D CA 0.747 54.776 54.000 0.050 0.000 0.896 92 D CB -0.275 40.619 40.800 0.157 0.000 1.028 92 D HN 0.062 nan 8.370 nan 0.000 0.493 93 V N 1.660 121.472 119.914 -0.170 0.000 2.453 93 V HA -0.219 3.900 4.120 -0.001 0.000 0.252 93 V C 2.290 178.274 176.094 -0.184 0.000 1.068 93 V CA 1.319 63.367 62.300 -0.421 0.000 1.070 93 V CB -0.371 31.198 31.823 -0.423 0.000 0.664 93 V HN 0.139 nan 8.190 nan 0.000 0.461 94 L N -0.618 120.549 121.223 -0.092 0.000 1.988 94 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 94 L C 2.702 179.573 176.870 0.001 0.000 1.071 94 L CA 1.978 56.797 54.840 -0.036 0.000 0.744 94 L CB -0.967 41.068 42.059 -0.040 0.000 0.893 94 L HN 0.285 nan 8.230 nan 0.000 0.433 95 E N 0.353 120.544 120.200 -0.015 0.000 2.284 95 E HA -0.232 4.117 4.350 -0.001 0.000 0.200 95 E C 2.123 178.708 176.600 -0.025 0.000 1.008 95 E CA 1.266 57.660 56.400 -0.010 0.000 0.829 95 E CB -0.168 29.529 29.700 -0.003 0.000 0.744 95 E HN 0.585 nan 8.360 nan 0.000 0.491 96 I N -0.612 119.925 120.570 -0.056 0.000 2.353 96 I HA -0.245 3.925 4.170 -0.001 0.000 0.248 96 I C 2.261 178.301 176.117 -0.127 0.000 1.119 96 I CA 0.821 62.061 61.300 -0.101 0.000 1.417 96 I CB -0.329 37.571 38.000 -0.167 0.000 1.078 96 I HN 0.041 nan 8.210 nan 0.000 0.421 97 Y N 1.895 122.102 120.300 -0.154 0.000 2.092 97 Y HA -0.250 4.300 4.550 -0.001 0.000 0.282 97 Y C 2.810 178.635 175.900 -0.126 0.000 1.126 97 Y CA 1.895 59.901 58.100 -0.156 0.000 1.111 97 Y CB -0.095 38.256 38.460 -0.183 0.000 0.987 97 Y HN 0.159 nan 8.280 nan 0.000 0.489 98 S N -0.507 115.259 115.700 0.108 0.000 2.894 98 S HA -0.079 4.391 4.470 -0.001 0.000 0.231 98 S C 1.082 175.675 174.600 -0.013 0.000 0.971 98 S CA 1.078 59.300 58.200 0.036 0.000 1.005 98 S CB -0.247 62.958 63.200 0.009 0.000 0.799 98 S HN 0.531 nan 8.310 nan 0.000 0.527 99 E N 0.732 120.905 120.200 -0.045 0.000 2.406 99 E HA 0.342 4.691 4.350 -0.001 0.000 0.204 99 E C 1.120 177.667 176.600 -0.089 0.000 0.820 99 E CA 0.071 56.434 56.400 -0.061 0.000 1.136 99 E CB -0.194 29.468 29.700 -0.063 0.000 1.129 99 E HN 0.502 nan 8.360 nan 0.000 0.530 100 L N 0.448 121.584 121.223 -0.145 0.000 2.737 100 L HA 0.225 4.565 4.340 -0.001 0.000 0.246 100 L C 1.053 177.838 176.870 -0.141 0.000 1.153 100 L CA 0.560 55.292 54.840 -0.180 0.000 0.920 100 L CB -0.477 41.396 42.059 -0.310 0.000 1.090 100 L HN 0.415 nan 8.230 nan 0.000 0.430 101 G N -0.114 108.635 108.800 -0.085 0.000 2.179 101 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.257 101 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.257 101 G C 0.602 175.492 174.900 -0.016 0.000 1.010 101 G CA 0.026 45.098 45.100 -0.047 0.000 0.736 101 G HN 0.564 nan 8.290 nan 0.000 0.513 102 G N -0.980 107.831 108.800 0.018 0.000 2.599 102 G HA2 0.586 4.546 3.960 -0.001 0.000 0.264 102 G HA3 0.586 4.546 3.960 -0.001 0.000 0.264 102 G C -0.200 174.781 174.900 0.134 0.000 1.200 102 G CA -0.019 45.213 45.100 0.219 0.000 0.896 102 G HN 0.547 nan 8.290 nan 0.000 0.536 103 E N -0.872 119.330 120.200 0.004 0.000 2.352 103 E HA 0.357 4.706 4.350 -0.001 0.000 0.280 103 E C -1.066 175.224 176.600 -0.517 0.000 0.930 103 E CA -0.586 55.639 56.400 -0.292 0.000 0.765 103 E CB 2.552 32.041 29.700 -0.353 0.000 1.219 103 E HN 0.322 nan 8.360 nan 0.000 0.434 104 I N 2.100 122.290 120.570 -0.633 0.000 2.441 104 I HA 0.365 4.535 4.170 -0.001 0.000 0.295 104 I C -1.017 174.672 176.117 -0.715 0.000 0.994 104 I CA -0.831 60.069 61.300 -0.667 0.000 1.144 104 I CB 1.019 38.628 38.000 -0.651 0.000 1.314 104 I HN 0.457 nan 8.210 nan 0.000 0.445 105 Y N 5.071 125.150 120.300 -0.369 0.000 2.328 105 Y HA 0.426 4.976 4.550 -0.001 0.000 0.333 105 Y C -0.675 175.056 175.900 -0.283 0.000 0.958 105 Y CA -0.661 57.294 58.100 -0.242 0.000 1.167 105 Y CB 1.453 39.862 38.460 -0.085 0.000 1.151 105 Y HN 0.333 nan 8.280 nan 0.000 0.470 106 F N 2.428 122.502 119.950 0.207 0.000 2.308 106 F HA 0.328 4.854 4.527 -0.001 0.000 0.370 106 F C 0.521 176.410 175.800 0.148 0.000 1.100 106 F CA -1.155 56.923 58.000 0.131 0.000 1.108 106 F CB 0.959 39.998 39.000 0.065 0.000 1.293 106 F HN 0.329 nan 8.300 nan 0.000 0.478 107 T N -1.467 113.269 114.554 0.303 0.000 2.936 107 T HA 0.344 4.693 4.350 -0.001 0.000 0.282 107 T C 0.684 175.521 174.700 0.227 0.000 1.003 107 T CA -0.681 61.560 62.100 0.234 0.000 1.005 107 T CB 2.078 71.042 68.868 0.160 0.000 1.097 107 T HN 0.304 nan 8.240 nan 0.000 0.532 108 D N 0.144 120.696 120.400 0.253 0.000 1.966 108 D HA 0.066 4.705 4.640 -0.001 0.000 0.256 108 D C 0.955 177.342 176.300 0.145 0.000 0.991 108 D CA 1.009 55.139 54.000 0.217 0.000 0.928 108 D CB -0.101 40.929 40.800 0.383 0.000 1.166 108 D HN 0.656 nan 8.370 nan 0.000 0.469 109 I N 0.338 120.992 120.570 0.140 0.000 3.491 109 I HA 0.139 4.309 4.170 -0.001 0.000 0.332 109 I C -0.279 175.877 176.117 0.065 0.000 1.565 109 I CA -0.117 61.234 61.300 0.084 0.000 1.050 109 I CB 0.526 38.555 38.000 0.048 0.000 1.348 109 I HN -0.137 nan 8.210 nan 0.000 0.506 110 D N 1.524 121.984 120.400 0.100 0.000 2.368 110 D HA -0.017 4.622 4.640 -0.001 0.000 0.250 110 D C 2.012 178.358 176.300 0.076 0.000 1.142 110 D CA 0.333 54.393 54.000 0.101 0.000 0.925 110 D CB 0.036 40.919 40.800 0.138 0.000 0.896 110 D HN 0.303 nan 8.370 nan 0.000 0.525 111 L N -0.370 120.879 121.223 0.044 0.000 2.331 111 L HA -0.370 3.970 4.340 -0.001 0.000 0.245 111 L C 1.333 178.207 176.870 0.006 0.000 1.126 111 L CA 1.512 56.363 54.840 0.019 0.000 0.834 111 L CB -1.352 40.698 42.059 -0.016 0.000 0.982 111 L HN 0.085 nan 8.230 nan 0.000 0.432 112 V N -0.729 119.199 119.914 0.024 0.000 3.857 112 V HA -0.133 3.986 4.120 -0.001 0.000 0.275 112 V C 1.235 177.483 176.094 0.256 0.000 0.992 112 V CA 0.105 62.485 62.300 0.133 0.000 0.998 112 V CB -0.091 31.805 31.823 0.123 0.000 1.234 112 V HN 0.380 nan 8.190 nan 0.000 0.438 113 E N -0.529 119.874 120.200 0.338 0.000 2.413 113 E HA -0.118 4.232 4.350 -0.001 0.000 0.204 113 E C 0.709 177.436 176.600 0.213 0.000 1.275 113 E CA 0.335 56.886 56.400 0.252 0.000 1.090 113 E CB -0.452 29.320 29.700 0.120 0.000 1.145 113 E HN 0.618 nan 8.360 nan 0.000 0.472 114 H N 0.565 119.676 119.070 0.069 0.000 2.562 114 H HA 0.113 4.668 4.556 -0.001 0.000 0.267 114 H C 0.535 175.872 175.328 0.015 0.000 0.959 114 H CA 0.221 56.290 56.048 0.035 0.000 1.204 114 H CB 0.413 30.196 29.762 0.035 0.000 1.430 114 H HN -0.110 nan 8.280 nan 0.000 0.545 115 K N 1.994 122.462 120.400 0.114 0.000 2.484 115 K HA -0.077 4.242 4.320 -0.001 0.000 0.280 115 K C 0.895 177.470 176.600 -0.042 0.000 1.013 115 K CA 0.241 56.541 56.287 0.022 0.000 1.029 115 K CB 0.450 32.963 32.500 0.022 0.000 0.902 115 K HN 0.639 nan 8.250 nan 0.000 0.481 116 E N 3.297 123.440 120.200 -0.095 0.000 2.492 116 E HA -0.190 4.159 4.350 -0.001 0.000 0.204 116 E C 0.676 177.210 176.600 -0.110 0.000 1.073 116 E CA 0.754 57.089 56.400 -0.109 0.000 0.887 116 E CB 0.117 29.740 29.700 -0.129 0.000 0.813 116 E HN 0.288 nan 8.360 nan 0.000 0.562 117 L N 0.520 121.672 121.223 -0.118 0.000 3.184 117 L HA 0.182 4.522 4.340 -0.001 0.000 0.283 117 L C 0.818 177.699 176.870 0.018 0.000 1.218 117 L CA 0.263 55.057 54.840 -0.076 0.000 1.028 117 L CB 0.989 42.947 42.059 -0.167 0.000 1.400 117 L HN 0.077 nan 8.230 nan 0.000 0.591 118 Q N -0.341 119.483 119.800 0.040 0.000 2.198 118 Q HA 0.165 4.504 4.340 -0.001 0.000 0.209 118 Q C -0.187 175.858 176.000 0.075 0.000 0.848 118 Q CA 0.039 55.912 55.803 0.116 0.000 0.974 118 Q CB 0.989 29.827 28.738 0.167 0.000 1.115 118 Q HN 0.342 nan 8.270 nan 0.000 0.494 119 D N 0.085 120.501 120.400 0.027 0.000 2.440 119 D HA 0.035 4.674 4.640 -0.001 0.000 0.269 119 D C 0.284 176.580 176.300 -0.007 0.000 1.249 119 D CA -0.589 53.407 54.000 -0.006 0.000 1.055 119 D CB 0.701 41.486 40.800 -0.025 0.000 1.104 119 D HN -0.054 nan 8.370 nan 0.000 0.561 120 L N 1.470 122.676 121.223 -0.029 0.000 2.704 120 L HA 0.014 4.354 4.340 -0.001 0.000 0.279 120 L C 0.010 176.877 176.870 -0.004 0.000 1.147 120 L CA 1.043 55.867 54.840 -0.027 0.000 0.994 120 L CB -1.086 40.951 42.059 -0.037 0.000 1.332 120 L HN 0.266 nan 8.230 nan 0.000 0.471 121 S N 3.491 119.200 115.700 0.015 0.000 3.730 121 S HA 0.196 4.666 4.470 -0.001 0.000 0.218 121 S C 0.037 174.652 174.600 0.025 0.000 1.053 121 S CA -0.251 57.961 58.200 0.021 0.000 0.878 121 S CB 0.836 64.055 63.200 0.033 0.000 1.064 121 S HN 0.714 nan 8.310 nan 0.000 0.583 122 E N 2.142 122.369 120.200 0.045 0.000 3.074 122 E HA 0.217 4.566 4.350 -0.001 0.000 0.287 122 E C -0.122 176.532 176.600 0.090 0.000 1.194 122 E CA -0.317 56.111 56.400 0.048 0.000 0.836 122 E CB 0.738 30.459 29.700 0.035 0.000 1.468 122 E HN 0.442 nan 8.360 nan 0.000 0.383 123 E N 2.538 122.789 120.200 0.085 0.000 2.402 123 E HA 0.083 4.432 4.350 -0.001 0.000 0.261 123 E C -0.332 176.367 176.600 0.166 0.000 0.823 123 E CA 0.250 56.731 56.400 0.135 0.000 1.205 123 E CB -0.090 29.610 29.700 -0.001 0.000 1.431 123 E HN 0.238 nan 8.360 nan 0.000 0.518 124 E N 0.065 120.309 120.200 0.073 0.000 2.145 124 E HA 0.239 4.588 4.350 -0.001 0.000 0.262 124 E C -0.004 176.626 176.600 0.050 0.000 0.883 124 E CA -0.360 56.092 56.400 0.087 0.000 0.748 124 E CB 1.338 31.064 29.700 0.044 0.000 1.140 124 E HN 0.117 nan 8.360 nan 0.000 0.417 125 K N 2.559 122.997 120.400 0.063 0.000 2.312 125 K HA 0.272 4.591 4.320 -0.001 0.000 0.206 125 K C -0.395 176.233 176.600 0.048 0.000 1.121 125 K CA 0.286 56.599 56.287 0.044 0.000 0.923 125 K CB 0.311 32.834 32.500 0.039 0.000 1.162 125 K HN 0.344 nan 8.250 nan 0.000 0.478 126 N N 0.123 118.860 118.700 0.062 0.000 2.346 126 N HA 0.183 4.923 4.740 -0.001 0.000 0.289 126 N C -1.506 174.054 175.510 0.084 0.000 1.027 126 N CA -0.138 52.949 53.050 0.063 0.000 0.864 126 N CB 2.027 40.549 38.487 0.057 0.000 1.370 126 N HN -0.204 nan 8.380 nan 0.000 0.481 127 S N 2.438 118.184 115.700 0.077 0.000 2.701 127 S HA 0.201 4.670 4.470 -0.001 0.000 0.317 127 S C 0.444 175.093 174.600 0.082 0.000 1.149 127 S CA -0.354 57.899 58.200 0.088 0.000 1.052 127 S CB -0.473 62.770 63.200 0.071 0.000 1.257 127 S HN 0.574 nan 8.310 nan 0.000 0.532 128 M N 1.024 120.690 119.600 0.110 0.000 3.637 128 M HA 0.328 4.807 4.480 -0.001 0.000 0.452 128 M C 0.050 176.436 176.300 0.143 0.000 1.718 128 M CA -0.468 54.882 55.300 0.083 0.000 0.690 128 M CB -0.425 32.257 32.600 0.136 0.000 1.448 128 M HN 0.223 nan 8.290 nan 0.000 0.524 129 N N 2.051 120.848 118.700 0.161 0.000 2.014 129 N HA -0.086 4.654 4.740 -0.001 0.000 0.194 129 N C 1.051 176.712 175.510 0.252 0.000 1.083 129 N CA 1.910 55.090 53.050 0.217 0.000 0.870 129 N CB -0.031 38.583 38.487 0.213 0.000 1.061 129 N HN 0.620 nan 8.380 nan 0.000 0.427 130 S N 0.805 116.661 115.700 0.260 0.000 2.587 130 S HA 0.040 4.509 4.470 -0.001 0.000 0.252 130 S C 1.274 176.112 174.600 0.396 0.000 1.282 130 S CA -0.487 57.986 58.200 0.455 0.000 0.977 130 S CB 0.542 63.964 63.200 0.369 0.000 1.015 130 S HN 0.325 nan 8.310 nan 0.000 0.557 131 R N 0.362 121.149 120.500 0.479 0.000 2.171 131 R HA -0.160 4.180 4.340 -0.001 0.000 0.232 131 R C 1.979 178.356 176.300 0.128 0.000 1.116 131 R CA 2.224 58.434 56.100 0.183 0.000 0.901 131 R CB -1.369 29.017 30.300 0.143 0.000 0.850 131 R HN 0.778 nan 8.270 nan 0.000 0.431 132 G N -1.066 107.816 108.800 0.138 0.000 2.549 132 G HA2 0.057 4.016 3.960 -0.001 0.000 0.219 132 G HA3 0.057 4.016 3.960 -0.001 0.000 0.219 132 G C -0.455 174.481 174.900 0.060 0.000 1.677 132 G CA 0.426 45.566 45.100 0.068 0.000 0.929 132 G HN 0.427 nan 8.290 nan 0.000 0.549 133 E N -2.569 117.684 120.200 0.088 0.000 2.388 133 E HA 0.518 4.868 4.350 -0.001 0.000 0.282 133 E C -0.263 176.382 176.600 0.075 0.000 1.026 133 E CA -0.561 55.884 56.400 0.075 0.000 0.820 133 E CB 1.769 31.493 29.700 0.039 0.000 1.226 133 E HN 0.191 nan 8.360 nan 0.000 0.432 134 K N 2.068 122.513 120.400 0.075 0.000 3.179 134 K HA 0.197 4.516 4.320 -0.001 0.000 0.217 134 K C -0.184 176.453 176.600 0.061 0.000 2.086 134 K CA 0.569 56.891 56.287 0.058 0.000 1.488 134 K CB 0.671 33.197 32.500 0.043 0.000 2.388 134 K HN 0.537 nan 8.250 nan 0.000 0.586 135 V N 2.159 122.121 119.914 0.080 0.000 3.710 135 V HA -0.109 4.010 4.120 -0.001 0.000 0.214 135 V C -2.720 173.434 176.094 0.101 0.000 0.429 135 V CA 1.253 63.614 62.300 0.103 0.000 1.007 135 V CB -0.771 31.110 31.823 0.098 0.000 1.117 135 V HN 0.371 nan 8.190 nan 0.000 1.243 136 P HA 0.155 nan 4.420 nan 0.000 0.214 136 P C 1.183 178.537 177.300 0.090 0.000 1.807 136 P CA -0.228 62.913 63.100 0.069 0.000 0.921 136 P CB -0.112 31.606 31.700 0.029 0.000 1.835 137 F N 2.840 122.766 119.950 -0.040 0.000 2.222 137 F HA -0.462 4.065 4.527 -0.001 0.000 0.281 137 F C 2.245 178.000 175.800 -0.076 0.000 1.130 137 F CA 3.116 61.061 58.000 -0.092 0.000 1.368 137 F CB -1.173 37.745 39.000 -0.136 0.000 0.890 137 F HN 0.237 nan 8.300 nan 0.000 0.524 138 A N -0.804 122.157 122.820 0.233 0.000 2.117 138 A HA -0.308 4.011 4.320 -0.001 0.000 0.224 138 A C 1.925 179.467 177.584 -0.070 0.000 1.167 138 A CA 2.417 54.514 52.037 0.099 0.000 0.664 138 A CB -1.358 17.718 19.000 0.126 0.000 0.811 138 A HN 0.773 nan 8.150 nan 0.000 0.470 139 S N -1.488 114.159 115.700 -0.089 0.000 2.618 139 S HA 0.378 4.848 4.470 -0.001 0.000 0.242 139 S C 0.437 174.961 174.600 -0.126 0.000 0.972 139 S CA -0.691 57.449 58.200 -0.100 0.000 1.004 139 S CB 0.128 63.284 63.200 -0.072 0.000 0.778 139 S HN 0.361 nan 8.310 nan 0.000 0.459 140 R N 0.856 121.245 120.500 -0.185 0.000 2.787 140 R HA 0.512 4.851 4.340 -0.001 0.000 0.271 140 R C 0.007 176.373 176.300 0.110 0.000 0.993 140 R CA -0.931 55.144 56.100 -0.043 0.000 0.993 140 R CB 0.928 31.100 30.300 -0.214 0.000 1.155 140 R HN 0.453 nan 8.270 nan 0.000 0.486 141 F N -2.230 117.658 119.950 -0.103 0.000 2.798 141 F HA 0.421 4.948 4.527 -0.001 0.000 0.328 141 F C -0.219 175.626 175.800 0.075 0.000 1.098 141 F CA -0.981 57.007 58.000 -0.020 0.000 1.172 141 F CB 0.006 39.008 39.000 0.004 0.000 1.072 141 F HN -0.034 nan 8.300 nan 0.000 0.555 142 V N 1.986 121.812 119.914 -0.146 0.000 2.709 142 V HA 0.655 4.775 4.120 -0.001 0.000 0.308 142 V C -1.628 174.564 176.094 0.164 0.000 1.062 142 V CA -0.682 61.551 62.300 -0.113 0.000 0.901 142 V CB 2.487 34.124 31.823 -0.309 0.000 1.003 142 V HN 0.168 nan 8.190 nan 0.000 0.425 143 F N 2.974 122.904 119.950 -0.035 0.000 2.688 143 F HA 0.597 5.123 4.527 -0.001 0.000 0.308 143 F C -0.864 174.953 175.800 0.028 0.000 1.117 143 F CA -0.757 57.251 58.000 0.014 0.000 0.976 143 F CB 2.078 41.106 39.000 0.048 0.000 1.291 143 F HN 0.598 nan 8.300 nan 0.000 0.439 144 E N 4.179 123.968 120.200 -0.684 0.000 2.129 144 E HA 0.267 4.617 4.350 -0.001 0.000 0.268 144 E C -1.195 175.057 176.600 -0.579 0.000 0.900 144 E CA -0.498 55.625 56.400 -0.462 0.000 0.755 144 E CB 1.379 30.878 29.700 -0.334 0.000 1.117 144 E HN 0.494 nan 8.360 nan 0.000 0.410 145 K N 4.976 125.263 120.400 -0.187 0.000 2.121 145 K HA -0.002 4.317 4.320 -0.001 0.000 0.235 145 K C 0.948 177.505 176.600 -0.072 0.000 1.200 145 K CA 0.177 56.434 56.287 -0.049 0.000 1.115 145 K CB -0.078 32.470 32.500 0.080 0.000 1.474 145 K HN 0.643 nan 8.250 nan 0.000 0.295 146 K N 1.132 121.448 120.400 -0.139 0.000 2.296 146 K HA -0.299 4.020 4.320 -0.001 0.000 0.206 146 K C 1.362 177.928 176.600 -0.057 0.000 1.042 146 K CA 1.593 57.819 56.287 -0.102 0.000 0.934 146 K CB -0.055 32.400 32.500 -0.076 0.000 0.727 146 K HN 0.341 nan 8.250 nan 0.000 0.480 147 R N -0.290 120.193 120.500 -0.028 0.000 2.156 147 R HA -0.007 4.333 4.340 -0.001 0.000 0.207 147 R C 1.756 178.037 176.300 -0.031 0.000 1.040 147 R CA 1.567 57.653 56.100 -0.023 0.000 1.013 147 R CB 0.233 30.530 30.300 -0.004 0.000 0.931 147 R HN 0.532 nan 8.270 nan 0.000 0.465 148 E N -0.741 119.441 120.200 -0.030 0.000 3.635 148 E HA -0.016 4.334 4.350 -0.001 0.000 0.183 148 E C 0.064 176.633 176.600 -0.051 0.000 1.263 148 E CA 0.234 56.613 56.400 -0.036 0.000 1.427 148 E CB 0.120 29.808 29.700 -0.020 0.000 1.724 148 E HN -0.032 nan 8.360 nan 0.000 0.520 149 T N 2.122 116.655 114.554 -0.035 0.000 2.909 149 T HA 0.500 4.849 4.350 -0.001 0.000 0.289 149 T C -2.484 172.192 174.700 -0.040 0.000 1.005 149 T CA -2.175 59.899 62.100 -0.042 0.000 1.084 149 T CB 1.276 70.138 68.868 -0.010 0.000 0.975 149 T HN 0.072 nan 8.240 nan 0.000 0.509 150 P HA 0.362 nan 4.420 nan 0.000 0.280 150 P C -1.219 176.171 177.300 0.150 0.000 1.244 150 P CA -0.535 62.549 63.100 -0.027 0.000 0.784 150 P CB 0.580 32.100 31.700 -0.300 0.000 0.913 151 K N 2.699 123.169 120.400 0.117 0.000 2.616 151 K HA 0.354 4.673 4.320 -0.001 0.000 0.241 151 K C -0.840 175.792 176.600 0.054 0.000 0.961 151 K CA -0.798 55.557 56.287 0.113 0.000 0.942 151 K CB 1.274 33.873 32.500 0.164 0.000 1.153 151 K HN 0.320 nan 8.250 nan 0.000 0.452 152 L N 4.830 126.005 121.223 -0.080 0.000 2.281 152 L HA 0.444 4.783 4.340 -0.001 0.000 0.285 152 L C -0.904 175.932 176.870 -0.056 0.000 1.074 152 L CA -0.089 54.655 54.840 -0.161 0.000 0.817 152 L CB 0.499 42.301 42.059 -0.429 0.000 1.168 152 L HN 0.531 nan 8.230 nan 0.000 0.434 153 I N 6.406 127.017 120.570 0.068 0.000 2.389 153 I HA 0.468 4.637 4.170 -0.001 0.000 0.288 153 I C -0.766 175.427 176.117 0.127 0.000 0.999 153 I CA -0.477 60.916 61.300 0.154 0.000 1.129 153 I CB 1.345 39.469 38.000 0.208 0.000 1.288 153 I HN 0.408 nan 8.210 nan 0.000 0.444 154 I N 5.811 126.452 120.570 0.118 0.000 2.827 154 I HA 0.457 4.626 4.170 -0.001 0.000 0.298 154 I C -1.015 175.251 176.117 0.248 0.000 1.235 154 I CA -0.626 60.777 61.300 0.172 0.000 1.021 154 I CB 2.033 40.198 38.000 0.276 0.000 1.259 154 I HN 0.608 nan 8.210 nan 0.000 0.427 155 N N 3.719 122.552 118.700 0.222 0.000 2.647 155 N HA 0.762 5.502 4.740 -0.001 0.000 0.266 155 N C -1.600 174.030 175.510 0.200 0.000 1.373 155 N CA -0.416 52.765 53.050 0.218 0.000 0.807 155 N CB 2.871 41.465 38.487 0.179 0.000 1.513 155 N HN 0.410 nan 8.380 nan 0.000 0.505 156 I N -1.160 119.487 120.570 0.128 0.000 2.994 156 I HA 0.441 4.610 4.170 -0.001 0.000 0.306 156 I C 0.630 176.771 176.117 0.040 0.000 1.195 156 I CA -0.677 60.675 61.300 0.088 0.000 1.001 156 I CB 2.008 40.013 38.000 0.007 0.000 1.244 156 I HN 0.737 nan 8.210 nan 0.000 0.437 157 K N 1.156 121.571 120.400 0.024 0.000 2.494 157 K HA 0.426 4.746 4.320 -0.001 0.000 0.244 157 K C -0.077 176.531 176.600 0.013 0.000 1.137 157 K CA 0.679 56.971 56.287 0.008 0.000 0.872 157 K CB 0.001 32.502 32.500 0.003 0.000 1.456 157 K HN 0.653 nan 8.250 nan 0.000 0.435 158 D N -1.492 118.940 120.400 0.053 0.000 2.541 158 D HA 0.204 4.843 4.640 -0.001 0.000 0.276 158 D C 1.302 177.696 176.300 0.156 0.000 1.190 158 D CA -0.198 53.898 54.000 0.159 0.000 1.095 158 D CB -0.077 40.856 40.800 0.222 0.000 1.173 158 D HN 0.048 nan 8.370 nan 0.000 0.604 159 Y N 0.475 120.750 120.300 -0.042 0.000 2.070 159 Y HA 0.070 4.620 4.550 -0.001 0.000 0.280 159 Y C 1.242 177.121 175.900 -0.035 0.000 1.148 159 Y CA 0.849 58.925 58.100 -0.041 0.000 1.125 159 Y CB -0.993 37.444 38.460 -0.038 0.000 0.975 159 Y HN 0.154 nan 8.280 nan 0.000 0.492 160 A N 0.370 123.285 122.820 0.159 0.000 2.404 160 A HA 0.416 4.735 4.320 -0.001 0.000 0.273 160 A C 0.721 178.333 177.584 0.046 0.000 1.144 160 A CA -0.062 52.020 52.037 0.075 0.000 0.806 160 A CB -0.267 18.759 19.000 0.043 0.000 1.080 160 A HN 0.512 nan 8.150 nan 0.000 0.509 161 I N 1.393 121.986 120.570 0.038 0.000 4.530 161 I HA 0.003 4.172 4.170 -0.001 0.000 0.318 161 I C 1.458 177.593 176.117 0.030 0.000 1.257 161 I CA 0.024 61.350 61.300 0.044 0.000 1.301 161 I CB 0.120 38.142 38.000 0.035 0.000 1.297 161 I HN 0.641 nan 8.210 nan 0.000 0.451 162 N N 1.176 119.884 118.700 0.013 0.000 2.080 162 N HA -0.104 4.636 4.740 -0.001 0.000 0.189 162 N C 1.774 177.280 175.510 -0.007 0.000 1.036 162 N CA 1.459 54.506 53.050 -0.006 0.000 0.846 162 N CB -0.295 38.186 38.487 -0.010 0.000 1.015 162 N HN 0.110 nan 8.380 nan 0.000 0.423 163 S N 0.761 116.462 115.700 0.001 0.000 2.432 163 S HA -0.252 4.218 4.470 -0.001 0.000 0.266 163 S C 1.006 175.607 174.600 0.003 0.000 1.076 163 S CA 1.444 59.644 58.200 0.000 0.000 1.320 163 S CB -0.448 62.754 63.200 0.002 0.000 1.222 163 S HN 0.465 nan 8.310 nan 0.000 0.439 164 E N 0.643 120.852 120.200 0.014 0.000 2.400 164 E HA 0.239 4.589 4.350 -0.001 0.000 0.232 164 E C 0.217 176.843 176.600 0.044 0.000 0.988 164 E CA -0.175 56.242 56.400 0.028 0.000 0.823 164 E CB 0.207 29.928 29.700 0.035 0.000 1.246 164 E HN 0.312 nan 8.360 nan 0.000 0.441 165 Q N 0.351 120.160 119.800 0.014 0.000 2.522 165 Q HA -0.164 4.176 4.340 -0.001 0.000 0.216 165 Q C 1.741 177.792 176.000 0.085 0.000 0.986 165 Q CA 0.897 56.707 55.803 0.012 0.000 0.901 165 Q CB 0.001 28.675 28.738 -0.106 0.000 0.954 165 Q HN 0.370 nan 8.270 nan 0.000 0.502 166 S N 0.452 116.226 115.700 0.122 0.000 2.484 166 S HA -0.244 4.226 4.470 -0.001 0.000 0.250 166 S C 1.503 176.299 174.600 0.325 0.000 0.995 166 S CA 1.581 59.906 58.200 0.207 0.000 0.967 166 S CB 0.017 63.327 63.200 0.184 0.000 0.752 166 S HN 0.533 nan 8.310 nan 0.000 0.517 167 K N 0.596 121.167 120.400 0.285 0.000 2.102 167 K HA 0.135 4.454 4.320 -0.001 0.000 0.206 167 K C 2.011 178.892 176.600 0.468 0.000 1.031 167 K CA 0.816 57.358 56.287 0.425 0.000 0.962 167 K CB -0.816 31.854 32.500 0.282 0.000 0.811 167 K HN 0.349 nan 8.250 nan 0.000 0.453 168 E N 1.454 121.828 120.200 0.290 0.000 2.455 168 E HA -0.130 4.219 4.350 -0.001 0.000 0.202 168 E C 1.718 178.458 176.600 0.233 0.000 1.045 168 E CA 0.313 56.850 56.400 0.228 0.000 0.872 168 E CB 0.108 29.880 29.700 0.120 0.000 0.792 168 E HN 0.251 nan 8.360 nan 0.000 0.542 169 V N -0.077 119.963 119.914 0.211 0.000 2.667 169 V HA -0.184 3.936 4.120 -0.001 0.000 0.252 169 V C 1.198 177.347 176.094 0.092 0.000 1.065 169 V CA 1.380 63.762 62.300 0.136 0.000 1.083 169 V CB -0.395 31.486 31.823 0.096 0.000 0.692 169 V HN 0.400 nan 8.190 nan 0.000 0.468 170 Y N -1.645 118.779 120.300 0.206 0.000 2.457 170 Y HA -0.097 4.453 4.550 -0.001 0.000 0.292 170 Y C 2.112 178.074 175.900 0.104 0.000 1.125 170 Y CA 1.731 59.926 58.100 0.159 0.000 1.254 170 Y CB -0.243 38.320 38.460 0.171 0.000 1.012 170 Y HN 0.408 nan 8.280 nan 0.000 0.555 171 Y N 0.687 121.044 120.300 0.096 0.000 2.574 171 Y HA -0.136 4.414 4.550 -0.001 0.000 0.294 171 Y C 1.562 177.486 175.900 0.040 0.000 1.142 171 Y CA 1.051 59.157 58.100 0.010 0.000 1.314 171 Y CB -0.002 38.466 38.460 0.014 0.000 0.991 171 Y HN 0.093 nan 8.280 nan 0.000 0.555 172 E N -0.402 119.869 120.200 0.119 0.000 2.110 172 E HA 0.010 4.359 4.350 -0.001 0.000 0.193 172 E C 2.131 178.737 176.600 0.010 0.000 0.950 172 E CA 0.910 57.392 56.400 0.136 0.000 0.840 172 E CB -0.270 29.656 29.700 0.376 0.000 0.809 172 E HN 0.489 nan 8.360 nan 0.000 0.465 173 I N 0.001 120.598 120.570 0.044 0.000 2.193 173 I HA -0.079 4.090 4.170 -0.001 0.000 0.240 173 I C 2.076 178.191 176.117 -0.002 0.000 1.084 173 I CA 1.641 62.951 61.300 0.018 0.000 1.365 173 I CB -0.446 37.555 38.000 0.002 0.000 1.064 173 I HN 0.216 nan 8.210 nan 0.000 0.410 174 G N 1.141 109.979 108.800 0.063 0.000 2.562 174 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.223 174 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.223 174 G C 1.689 176.527 174.900 -0.103 0.000 1.102 174 G CA 1.427 46.562 45.100 0.058 0.000 0.742 174 G HN 0.515 nan 8.290 nan 0.000 0.587 175 K N -0.116 120.164 120.400 -0.201 0.000 2.054 175 K HA 0.160 4.479 4.320 -0.001 0.000 0.207 175 K C 2.668 179.119 176.600 -0.249 0.000 1.031 175 K CA 1.049 57.155 56.287 -0.301 0.000 0.952 175 K CB -0.921 31.303 32.500 -0.459 0.000 0.775 175 K HN 0.099 nan 8.250 nan 0.000 0.447 176 G N 3.179 111.770 108.800 -0.347 0.000 2.873 176 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.233 176 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.233 176 G C 1.427 176.266 174.900 -0.103 0.000 1.124 176 G CA 2.087 47.009 45.100 -0.296 0.000 0.747 176 G HN 0.638 nan 8.290 nan 0.000 0.644 177 I N 0.880 121.410 120.570 -0.067 0.000 3.102 177 I HA -0.017 4.152 4.170 -0.001 0.000 0.278 177 I C 2.377 178.437 176.117 -0.096 0.000 1.316 177 I CA 1.370 62.639 61.300 -0.052 0.000 1.425 177 I CB -0.536 37.437 38.000 -0.044 0.000 1.073 177 I HN 0.335 nan 8.210 nan 0.000 0.503 178 S N 3.176 118.803 115.700 -0.122 0.000 2.346 178 S HA 0.001 4.470 4.470 -0.001 0.000 0.204 178 S C 1.961 176.412 174.600 -0.248 0.000 1.008 178 S CA 0.527 58.619 58.200 -0.181 0.000 0.925 178 S CB -0.931 62.237 63.200 -0.053 0.000 0.903 178 S HN 0.607 nan 8.310 nan 0.000 0.537 179 L N 1.949 123.030 121.223 -0.236 0.000 1.976 179 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 179 L C 2.497 179.290 176.870 -0.129 0.000 1.071 179 L CA 1.995 56.708 54.840 -0.211 0.000 0.746 179 L CB -1.833 40.117 42.059 -0.182 0.000 0.890 179 L HN 0.443 nan 8.230 nan 0.000 0.432 180 D N 1.856 122.257 120.400 0.000 0.000 2.958 180 D HA -0.424 4.215 4.640 -0.001 0.000 0.309 180 D C 2.030 178.226 176.300 -0.173 0.000 1.093 180 D CA 2.886 56.865 54.000 -0.035 0.000 1.071 180 D CB -0.995 39.943 40.800 0.229 0.000 1.220 180 D HN 0.591 nan 8.370 nan 0.000 0.496 181 I N -0.494 120.015 120.570 -0.102 0.000 2.761 181 I HA -0.182 3.987 4.170 -0.001 0.000 0.266 181 I C 1.814 177.859 176.117 -0.120 0.000 1.239 181 I CA 0.933 62.171 61.300 -0.103 0.000 1.451 181 I CB -0.044 37.906 38.000 -0.084 0.000 1.096 181 I HN 0.197 nan 8.210 nan 0.000 0.465 182 I N -0.636 119.848 120.570 -0.143 0.000 4.081 182 I HA 0.156 4.326 4.170 -0.001 0.000 0.333 182 I C 0.931 176.962 176.117 -0.144 0.000 1.413 182 I CA 0.238 61.456 61.300 -0.136 0.000 1.110 182 I CB -0.168 37.741 38.000 -0.152 0.000 1.082 182 I HN 0.090 nan 8.210 nan 0.000 0.402 183 S N 0.231 115.817 115.700 -0.190 0.000 2.719 183 S HA 0.185 4.655 4.470 -0.001 0.000 0.285 183 S C 1.318 175.792 174.600 -0.210 0.000 1.137 183 S CA -0.262 57.809 58.200 -0.215 0.000 1.012 183 S CB 1.536 64.507 63.200 -0.381 0.000 1.134 183 S HN 0.149 nan 8.310 nan 0.000 0.544 184 K N 1.214 121.507 120.400 -0.179 0.000 2.228 184 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 184 K C 1.403 177.947 176.600 -0.094 0.000 1.045 184 K CA 2.072 58.313 56.287 -0.077 0.000 0.931 184 K CB -0.615 31.912 32.500 0.046 0.000 0.727 184 K HN 0.572 nan 8.250 nan 0.000 0.458 185 D N -0.289 119.983 120.400 -0.214 0.000 2.182 185 D HA -0.172 4.468 4.640 -0.001 0.000 0.201 185 D C 1.514 177.752 176.300 -0.104 0.000 0.986 185 D CA 1.439 55.353 54.000 -0.142 0.000 0.847 185 D CB 0.195 40.896 40.800 -0.165 0.000 0.942 185 D HN 0.416 nan 8.370 nan 0.000 0.467 186 K N -1.734 118.601 120.400 -0.108 0.000 2.591 186 K HA 0.082 4.401 4.320 -0.001 0.000 0.207 186 K C 1.460 178.017 176.600 -0.070 0.000 1.711 186 K CA 0.291 56.530 56.287 -0.080 0.000 1.059 186 K CB -0.258 32.201 32.500 -0.068 0.000 1.449 186 K HN -0.093 nan 8.250 nan 0.000 0.605 187 S N 1.547 117.199 115.700 -0.081 0.000 2.502 187 S HA -0.058 4.411 4.470 -0.001 0.000 0.219 187 S C 1.065 175.636 174.600 -0.048 0.000 1.064 187 S CA 1.251 59.410 58.200 -0.068 0.000 1.173 187 S CB -0.622 62.533 63.200 -0.074 0.000 1.118 187 S HN 0.330 nan 8.310 nan 0.000 0.406 188 L N 1.369 122.569 121.223 -0.038 0.000 2.453 188 L HA 0.151 4.491 4.340 -0.001 0.000 0.283 188 L C 0.740 177.595 176.870 -0.026 0.000 1.284 188 L CA -0.155 54.672 54.840 -0.023 0.000 0.822 188 L CB -0.482 41.572 42.059 -0.009 0.000 1.081 188 L HN 0.418 nan 8.230 nan 0.000 0.562 189 D N 0.258 120.649 120.400 -0.014 0.000 2.414 189 D HA 0.156 4.795 4.640 -0.001 0.000 0.259 189 D C -2.048 174.228 176.300 -0.039 0.000 1.269 189 D CA -1.029 52.954 54.000 -0.027 0.000 1.028 189 D CB 0.009 40.798 40.800 -0.019 0.000 1.093 189 D HN 0.416 nan 8.370 nan 0.000 0.545 190 P HA -0.012 nan 4.420 nan 0.000 0.248 190 P C -0.518 176.728 177.300 -0.089 0.000 1.553 190 P CA 0.255 63.291 63.100 -0.107 0.000 0.901 190 P CB -0.356 31.242 31.700 -0.170 0.000 1.816 191 E N -0.046 120.150 120.200 -0.006 0.000 2.892 191 E HA -0.171 4.178 4.350 -0.001 0.000 0.273 191 E C 1.012 177.677 176.600 0.108 0.000 0.921 191 E CA 0.609 57.069 56.400 0.099 0.000 0.968 191 E CB 0.036 29.790 29.700 0.089 0.000 0.941 191 E HN 0.267 nan 8.360 nan 0.000 0.492 192 F N 1.436 121.342 119.950 -0.073 0.000 2.158 192 F HA -0.322 4.205 4.527 -0.001 0.000 0.299 192 F C 2.201 177.942 175.800 -0.099 0.000 1.060 192 F CA 1.109 59.059 58.000 -0.083 0.000 1.284 192 F CB -0.692 38.272 39.000 -0.060 0.000 1.035 192 F HN 0.438 nan 8.300 nan 0.000 0.496 193 L N -0.522 120.766 121.223 0.107 0.000 1.997 193 L HA -0.310 4.030 4.340 -0.001 0.000 0.216 193 L C 2.433 179.202 176.870 -0.168 0.000 1.074 193 L CA 2.193 57.034 54.840 0.002 0.000 0.763 193 L CB -0.736 41.365 42.059 0.070 0.000 0.890 193 L HN 0.279 nan 8.230 nan 0.000 0.434 194 N N -0.147 118.456 118.700 -0.161 0.000 2.373 194 N HA -0.069 4.670 4.740 -0.001 0.000 0.181 194 N C 1.733 177.088 175.510 -0.258 0.000 1.082 194 N CA 0.222 53.113 53.050 -0.264 0.000 0.885 194 N CB 0.435 38.844 38.487 -0.130 0.000 0.977 194 N HN 0.153 nan 8.380 nan 0.000 0.462 195 L N 0.915 121.996 121.223 -0.237 0.000 2.217 195 L HA 0.147 4.486 4.340 -0.001 0.000 0.211 195 L C 1.904 178.596 176.870 -0.297 0.000 1.107 195 L CA 0.994 55.634 54.840 -0.333 0.000 0.783 195 L CB -0.063 41.738 42.059 -0.429 0.000 0.919 195 L HN 0.130 nan 8.230 nan 0.000 0.442 196 I N -1.967 118.483 120.570 -0.200 0.000 2.731 196 I HA -0.075 4.094 4.170 -0.001 0.000 0.260 196 I C 2.031 178.072 176.117 -0.126 0.000 1.138 196 I CA 0.089 61.311 61.300 -0.131 0.000 1.461 196 I CB -0.257 37.716 38.000 -0.046 0.000 1.128 196 I HN -0.024 nan 8.210 nan 0.000 0.438 197 K N 0.647 120.936 120.400 -0.185 0.000 2.281 197 K HA -0.135 4.184 4.320 -0.001 0.000 0.203 197 K C 2.231 178.779 176.600 -0.086 0.000 1.046 197 K CA 1.076 57.256 56.287 -0.178 0.000 0.938 197 K CB -0.347 31.913 32.500 -0.400 0.000 0.737 197 K HN 0.175 nan 8.250 nan 0.000 0.458 198 S N 0.681 116.288 115.700 -0.154 0.000 2.387 198 S HA -0.001 4.469 4.470 -0.001 0.000 0.226 198 S C 1.961 176.517 174.600 -0.075 0.000 1.026 198 S CA 0.449 58.548 58.200 -0.167 0.000 0.972 198 S CB -0.018 62.873 63.200 -0.515 0.000 0.814 198 S HN 0.218 nan 8.310 nan 0.000 0.477 199 L N 1.516 122.685 121.223 -0.090 0.000 2.187 199 L HA -0.030 4.310 4.340 -0.001 0.000 0.213 199 L C 2.096 179.006 176.870 0.066 0.000 1.100 199 L CA 1.084 55.911 54.840 -0.021 0.000 0.765 199 L CB -0.448 41.589 42.059 -0.037 0.000 0.904 199 L HN 0.288 nan 8.230 nan 0.000 0.437 200 S N -0.393 115.359 115.700 0.087 0.000 3.150 200 S HA -0.142 4.328 4.470 -0.001 0.000 0.252 200 S C 1.134 175.910 174.600 0.294 0.000 1.061 200 S CA 0.289 58.579 58.200 0.150 0.000 1.201 200 S CB -0.557 62.719 63.200 0.127 0.000 0.905 200 S HN 0.351 nan 8.310 nan 0.000 0.498 201 D N 1.716 122.300 120.400 0.308 0.000 2.106 201 D HA -0.031 4.608 4.640 -0.001 0.000 0.203 201 D C 1.027 177.679 176.300 0.587 0.000 0.977 201 D CA 1.651 55.974 54.000 0.538 0.000 0.844 201 D CB 0.205 41.157 40.800 0.252 0.000 1.002 201 D HN 0.736 nan 8.370 nan 0.000 0.461 202 D N -2.528 118.046 120.400 0.290 0.000 2.601 202 D HA 0.020 4.660 4.640 -0.001 0.000 0.350 202 D C 0.976 177.333 176.300 0.094 0.000 1.386 202 D CA 0.560 54.658 54.000 0.164 0.000 0.929 202 D CB -0.489 40.406 40.800 0.158 0.000 1.456 202 D HN 0.107 nan 8.370 nan 0.000 0.430 203 S N -0.602 115.153 115.700 0.092 0.000 2.404 203 S HA -0.007 4.463 4.470 -0.001 0.000 0.223 203 S C 1.345 175.971 174.600 0.044 0.000 1.040 203 S CA 0.652 58.886 58.200 0.058 0.000 0.957 203 S CB 0.006 63.236 63.200 0.051 0.000 0.826 203 S HN 0.063 nan 8.310 nan 0.000 0.491 204 D N 1.846 122.276 120.400 0.049 0.000 1.966 204 D HA 0.084 4.723 4.640 -0.001 0.000 0.256 204 D C 0.949 177.266 176.300 0.030 0.000 0.991 204 D CA 0.853 54.876 54.000 0.037 0.000 0.928 204 D CB -0.524 40.300 40.800 0.040 0.000 1.166 204 D HN 0.387 nan 8.370 nan 0.000 0.469 205 S N -0.661 115.058 115.700 0.031 0.000 2.603 205 S HA 0.059 4.529 4.470 -0.001 0.000 0.268 205 S C 0.750 175.354 174.600 0.006 0.000 1.317 205 S CA -0.421 57.790 58.200 0.018 0.000 1.012 205 S CB 1.011 64.224 63.200 0.021 0.000 0.926 205 S HN 0.095 nan 8.310 nan 0.000 0.539 206 S N 2.408 118.103 115.700 -0.008 0.000 2.894 206 S HA 0.024 4.494 4.470 -0.001 0.000 0.231 206 S C -0.277 174.295 174.600 -0.048 0.000 0.971 206 S CA 0.276 58.462 58.200 -0.025 0.000 1.005 206 S CB -0.502 62.682 63.200 -0.027 0.000 0.799 206 S HN 0.555 nan 8.310 nan 0.000 0.527 207 D N 1.810 122.184 120.400 -0.042 0.000 2.505 207 D HA 0.202 4.841 4.640 -0.001 0.000 0.242 207 D C -0.493 175.744 176.300 -0.106 0.000 1.136 207 D CA -0.224 53.731 54.000 -0.076 0.000 0.954 207 D CB 0.921 41.696 40.800 -0.043 0.000 1.002 207 D HN 0.156 nan 8.370 nan 0.000 0.512 208 L N 2.189 123.299 121.223 -0.188 0.000 2.968 208 L HA 0.170 4.509 4.340 -0.001 0.000 0.235 208 L C 0.136 176.625 176.870 -0.634 0.000 1.323 208 L CA -0.007 54.620 54.840 -0.355 0.000 1.159 208 L CB -0.214 41.691 42.059 -0.257 0.000 1.523 208 L HN 0.126 nan 8.230 nan 0.000 0.468 209 L N 1.452 122.406 121.223 -0.448 0.000 2.335 209 L HA 0.381 4.720 4.340 -0.001 0.000 0.268 209 L C -0.338 176.418 176.870 -0.190 0.000 1.037 209 L CA -0.078 54.521 54.840 -0.402 0.000 0.895 209 L CB 0.146 41.982 42.059 -0.371 0.000 1.266 209 L HN 0.267 nan 8.230 nan 0.000 0.439 210 F N 0.388 120.363 119.950 0.041 0.000 2.802 210 F HA 0.377 4.903 4.527 -0.001 0.000 0.346 210 F C 0.956 176.783 175.800 0.044 0.000 1.229 210 F CA -0.733 57.285 58.000 0.030 0.000 1.142 210 F CB -0.897 38.175 39.000 0.120 0.000 1.146 210 F HN 0.255 nan 8.300 nan 0.000 0.510 211 S N 1.075 116.973 115.700 0.330 0.000 2.954 211 S HA 0.002 4.472 4.470 -0.001 0.000 0.234 211 S C 1.323 176.038 174.600 0.191 0.000 0.978 211 S CA 0.857 59.230 58.200 0.289 0.000 1.045 211 S CB -0.352 62.955 63.200 0.179 0.000 0.807 211 S HN 0.727 nan 8.310 nan 0.000 0.508 212 Q N 0.030 119.907 119.800 0.128 0.000 2.511 212 Q HA 0.170 4.509 4.340 -0.001 0.000 0.236 212 Q C 1.205 177.163 176.000 -0.070 0.000 0.893 212 Q CA 0.068 55.863 55.803 -0.014 0.000 0.947 212 Q CB -0.207 28.441 28.738 -0.150 0.000 1.110 212 Q HN 0.527 nan 8.270 nan 0.000 0.591 213 K N -0.432 119.866 120.400 -0.171 0.000 2.402 213 K HA 0.320 4.639 4.320 -0.001 0.000 0.204 213 K C -0.003 176.552 176.600 -0.075 0.000 1.056 213 K CA -0.155 55.984 56.287 -0.246 0.000 1.069 213 K CB 0.528 32.742 32.500 -0.477 0.000 0.888 213 K HN 0.014 nan 8.250 nan 0.000 0.546 214 F N 1.222 121.188 119.950 0.026 0.000 2.679 214 F HA 0.343 4.870 4.527 -0.001 0.000 0.354 214 F C 1.311 177.128 175.800 0.028 0.000 1.423 214 F CA -0.968 56.992 58.000 -0.065 0.000 1.141 214 F CB 0.917 39.691 39.000 -0.375 0.000 1.168 214 F HN -0.102 nan 8.300 nan 0.000 0.530 215 K N 1.573 122.100 120.400 0.212 0.000 2.020 215 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 215 K C 1.880 178.543 176.600 0.106 0.000 1.038 215 K CA 1.968 58.347 56.287 0.154 0.000 0.947 215 K CB 0.084 32.649 32.500 0.108 0.000 0.744 215 K HN 0.517 nan 8.250 nan 0.000 0.442 216 E N -0.517 119.727 120.200 0.072 0.000 2.065 216 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 216 E C 1.662 178.271 176.600 0.015 0.000 0.960 216 E CA 0.202 56.624 56.400 0.037 0.000 0.824 216 E CB -0.240 29.471 29.700 0.018 0.000 0.793 216 E HN -0.056 nan 8.360 nan 0.000 0.459 217 K N 0.369 120.772 120.400 0.005 0.000 2.362 217 K HA 0.002 4.322 4.320 -0.001 0.000 0.200 217 K C 0.603 177.146 176.600 -0.096 0.000 1.046 217 K CA 0.461 56.725 56.287 -0.038 0.000 0.952 217 K CB 0.133 32.603 32.500 -0.049 0.000 0.753 217 K HN 0.193 nan 8.250 nan 0.000 0.466 218 L N 1.276 122.445 121.223 -0.091 0.000 2.527 218 L HA 0.113 4.453 4.340 -0.001 0.000 0.261 218 L C 0.194 177.004 176.870 -0.099 0.000 1.534 218 L CA 0.107 54.816 54.840 -0.218 0.000 0.757 218 L CB 0.502 42.131 42.059 -0.717 0.000 0.999 218 L HN 0.072 nan 8.230 nan 0.000 0.517 219 E N 0.331 120.529 120.200 -0.003 0.000 2.465 219 E HA 0.062 4.411 4.350 -0.001 0.000 0.195 219 E C 0.299 176.924 176.600 0.041 0.000 1.028 219 E CA -0.403 56.047 56.400 0.083 0.000 0.899 219 E CB 0.367 30.117 29.700 0.083 0.000 1.032 219 E HN 0.382 nan 8.360 nan 0.000 0.468 220 L N 2.539 123.742 121.223 -0.032 0.000 2.480 220 L HA 0.190 4.529 4.340 -0.001 0.000 0.243 220 L C 0.447 177.290 176.870 -0.046 0.000 1.315 220 L CA -0.046 54.751 54.840 -0.072 0.000 1.231 220 L CB -0.442 41.520 42.059 -0.162 0.000 1.444 220 L HN -0.006 nan 8.230 nan 0.000 0.409 221 N N 0.905 119.629 118.700 0.040 0.000 2.409 221 N HA -0.029 4.710 4.740 -0.001 0.000 0.179 221 N C -0.048 175.480 175.510 0.031 0.000 1.032 221 N CA 0.574 53.682 53.050 0.097 0.000 0.898 221 N CB 0.045 38.624 38.487 0.153 0.000 0.971 221 N HN 0.588 nan 8.380 nan 0.000 0.441 222 N N 1.743 120.436 118.700 -0.010 0.000 3.250 222 N HA 0.040 4.780 4.740 -0.001 0.000 0.307 222 N C -0.353 175.108 175.510 -0.083 0.000 1.355 222 N CA 0.273 53.304 53.050 -0.032 0.000 1.192 222 N CB 0.466 38.937 38.487 -0.027 0.000 1.478 222 N HN -0.013 nan 8.380 nan 0.000 0.543 223 K N 0.919 121.256 120.400 -0.105 0.000 2.536 223 K HA 0.062 4.382 4.320 -0.001 0.000 0.335 223 K C -0.955 175.561 176.600 -0.141 0.000 1.390 223 K CA -0.149 56.025 56.287 -0.187 0.000 1.083 223 K CB 0.329 32.608 32.500 -0.368 0.000 1.416 223 K HN 0.003 nan 8.250 nan 0.000 0.509 224 S N 3.334 119.008 115.700 -0.043 0.000 2.643 224 S HA -0.012 4.457 4.470 -0.001 0.000 0.310 224 S C 0.874 175.562 174.600 0.146 0.000 1.253 224 S CA 0.340 58.561 58.200 0.035 0.000 1.047 224 S CB 0.035 63.252 63.200 0.029 0.000 0.767 224 S HN 0.386 nan 8.310 nan 0.000 0.498 225 I N 2.965 123.654 120.570 0.198 0.000 2.395 225 I HA 0.214 4.384 4.170 -0.001 0.000 0.282 225 I C 0.578 176.707 176.117 0.021 0.000 1.107 225 I CA -0.123 61.379 61.300 0.336 0.000 1.210 225 I CB 0.494 38.632 38.000 0.231 0.000 1.456 225 I HN 0.595 nan 8.210 nan 0.000 0.504 226 D N 3.526 123.923 120.400 -0.004 0.000 3.074 226 D HA 0.285 4.924 4.640 -0.001 0.000 0.227 226 D C 1.343 177.510 176.300 -0.221 0.000 1.553 226 D CA 0.681 54.599 54.000 -0.137 0.000 1.347 226 D CB 0.557 41.307 40.800 -0.083 0.000 1.021 226 D HN 0.276 nan 8.370 nan 0.000 0.260 227 I N -0.154 120.330 120.570 -0.143 0.000 4.607 227 I HA 0.100 4.270 4.170 -0.001 0.000 0.324 227 I C 1.220 177.301 176.117 -0.059 0.000 1.279 227 I CA -0.043 61.162 61.300 -0.158 0.000 1.286 227 I CB 0.136 38.046 38.000 -0.150 0.000 1.265 227 I HN -0.059 nan 8.210 nan 0.000 0.446 228 N N 2.274 120.987 118.700 0.021 0.000 2.073 228 N HA -0.274 4.466 4.740 -0.001 0.000 0.199 228 N C 1.357 176.960 175.510 0.156 0.000 1.023 228 N CA 2.556 55.659 53.050 0.090 0.000 0.880 228 N CB -0.286 38.267 38.487 0.110 0.000 1.052 228 N HN 0.604 nan 8.380 nan 0.000 0.449 229 F N -2.295 117.633 119.950 -0.037 0.000 2.798 229 F HA 0.484 5.011 4.527 -0.001 0.000 0.328 229 F C 1.322 177.141 175.800 0.032 0.000 1.098 229 F CA -0.556 57.440 58.000 -0.007 0.000 1.172 229 F CB -0.197 38.802 39.000 -0.002 0.000 1.072 229 F HN -0.099 nan 8.300 nan 0.000 0.555 230 I N 1.721 121.874 120.570 -0.696 0.000 2.335 230 I HA -0.271 3.899 4.170 -0.001 0.000 0.251 230 I C 1.947 177.946 176.117 -0.197 0.000 1.129 230 I CA 1.596 62.532 61.300 -0.605 0.000 1.402 230 I CB -0.113 37.499 38.000 -0.646 0.000 1.069 230 I HN 0.215 nan 8.210 nan 0.000 0.424 231 K N 0.479 120.792 120.400 -0.145 0.000 1.978 231 K HA -0.294 4.026 4.320 -0.001 0.000 0.214 231 K C 1.842 178.438 176.600 -0.008 0.000 1.049 231 K CA 1.905 58.157 56.287 -0.059 0.000 0.939 231 K CB -0.484 31.990 32.500 -0.043 0.000 0.721 231 K HN 0.187 nan 8.250 nan 0.000 0.441 232 E N 1.538 121.747 120.200 0.015 0.000 2.241 232 E HA -0.250 4.099 4.350 -0.001 0.000 0.244 232 E C 0.091 176.714 176.600 0.038 0.000 1.070 232 E CA 1.928 58.361 56.400 0.053 0.000 0.998 232 E CB -0.194 29.586 29.700 0.134 0.000 0.879 232 E HN 0.252 nan 8.360 nan 0.000 0.501 233 N N 0.677 119.396 118.700 0.032 0.000 3.170 233 N HA 0.109 4.848 4.740 -0.001 0.000 0.305 233 N C 0.924 176.419 175.510 -0.025 0.000 1.499 233 N CA 0.242 53.277 53.050 -0.026 0.000 1.110 233 N CB 0.356 38.784 38.487 -0.097 0.000 1.390 233 N HN 0.362 nan 8.380 nan 0.000 0.508 234 L N -0.960 120.291 121.223 0.046 0.000 2.081 234 L HA -0.158 4.181 4.340 -0.001 0.000 0.212 234 L C 2.126 179.010 176.870 0.022 0.000 1.080 234 L CA 1.717 56.613 54.840 0.092 0.000 0.754 234 L CB -1.409 40.666 42.059 0.026 0.000 0.893 234 L HN 0.120 nan 8.230 nan 0.000 0.433 235 T N -3.098 111.420 114.554 -0.059 0.000 2.833 235 T HA -0.210 4.139 4.350 -0.001 0.000 0.269 235 T C 1.762 176.258 174.700 -0.340 0.000 1.054 235 T CA 1.364 63.357 62.100 -0.179 0.000 1.135 235 T CB -0.456 68.345 68.868 -0.112 0.000 0.869 235 T HN 0.600 nan 8.240 nan 0.000 0.466 236 E N 0.241 120.335 120.200 -0.176 0.000 2.106 236 E HA -0.064 4.285 4.350 -0.001 0.000 0.192 236 E C 0.904 177.433 176.600 -0.119 0.000 0.984 236 E CA 0.786 57.153 56.400 -0.055 0.000 0.806 236 E CB -0.141 29.358 29.700 -0.335 0.000 0.750 236 E HN 0.619 nan 8.360 nan 0.000 0.458 237 F N 1.058 121.065 119.950 0.095 0.000 2.795 237 F HA 0.085 4.612 4.527 -0.001 0.000 0.303 237 F C 2.055 177.918 175.800 0.106 0.000 1.186 237 F CA 0.420 58.502 58.000 0.137 0.000 1.415 237 F CB 0.033 39.059 39.000 0.043 0.000 1.106 237 F HN 0.043 nan 8.300 nan 0.000 0.558 238 Q N -1.160 118.693 119.800 0.088 0.000 2.388 238 Q HA -0.013 4.327 4.340 -0.001 0.000 0.204 238 Q C 1.744 177.787 176.000 0.073 0.000 0.946 238 Q CA 0.305 56.131 55.803 0.039 0.000 0.880 238 Q CB -0.142 28.501 28.738 -0.159 0.000 0.997 238 Q HN 0.393 nan 8.270 nan 0.000 0.552 239 H N 0.318 119.463 119.070 0.125 0.000 2.550 239 H HA -0.085 4.471 4.556 -0.001 0.000 0.292 239 H C 1.455 176.841 175.328 0.096 0.000 1.072 239 H CA 1.275 57.382 56.048 0.098 0.000 1.217 239 H CB 0.030 29.835 29.762 0.071 0.000 1.355 239 H HN 0.310 nan 8.280 nan 0.000 0.586 240 A N 0.285 123.246 122.820 0.234 0.000 1.909 240 A HA 0.004 4.324 4.320 -0.001 0.000 0.209 240 A C 1.984 179.699 177.584 0.217 0.000 1.247 240 A CA 0.019 52.158 52.037 0.170 0.000 0.660 240 A CB -0.731 18.399 19.000 0.218 0.000 0.910 240 A HN 0.239 nan 8.150 nan 0.000 0.465 241 F N 2.066 122.123 119.950 0.178 0.000 2.373 241 F HA -0.127 4.399 4.527 -0.001 0.000 0.300 241 F C 2.177 178.114 175.800 0.228 0.000 1.080 241 F CA 1.270 59.401 58.000 0.217 0.000 1.417 241 F CB -0.039 39.083 39.000 0.204 0.000 1.070 241 F HN 0.197 nan 8.300 nan 0.000 0.546 242 S N 0.830 116.634 115.700 0.174 0.000 2.326 242 S HA -0.113 4.357 4.470 -0.001 0.000 0.211 242 S C 1.962 176.645 174.600 0.139 0.000 1.031 242 S CA 1.303 59.571 58.200 0.113 0.000 0.985 242 S CB -0.836 62.441 63.200 0.128 0.000 0.961 242 S HN 0.344 nan 8.310 nan 0.000 0.436 243 L N 1.510 122.809 121.223 0.128 0.000 2.349 243 L HA -0.118 4.222 4.340 -0.001 0.000 0.220 243 L C 2.538 179.515 176.870 0.179 0.000 1.130 243 L CA 0.790 55.723 54.840 0.155 0.000 0.791 243 L CB -0.714 41.370 42.059 0.041 0.000 0.918 243 L HN 0.341 nan 8.230 nan 0.000 0.444 244 A N -0.076 122.805 122.820 0.102 0.000 1.874 244 A HA -0.192 4.127 4.320 -0.001 0.000 0.214 244 A C 2.121 179.795 177.584 0.150 0.000 1.189 244 A CA 1.047 53.132 52.037 0.080 0.000 0.615 244 A CB -0.636 18.382 19.000 0.029 0.000 0.830 244 A HN 0.353 nan 8.150 nan 0.000 0.443 245 F N 2.131 122.038 119.950 -0.071 0.000 2.113 245 F HA -0.187 4.340 4.527 -0.001 0.000 0.297 245 F C 2.791 178.776 175.800 0.308 0.000 1.103 245 F CA 2.050 60.096 58.000 0.076 0.000 1.248 245 F CB -0.450 38.488 39.000 -0.103 0.000 0.999 245 F HN 0.311 nan 8.300 nan 0.000 0.475 246 S N -0.827 115.209 115.700 0.559 0.000 2.400 246 S HA -0.290 4.180 4.470 -0.001 0.000 0.232 246 S C 1.932 176.746 174.600 0.357 0.000 1.025 246 S CA 1.519 59.986 58.200 0.445 0.000 0.993 246 S CB -1.382 62.003 63.200 0.307 0.000 0.808 246 S HN 0.503 nan 8.310 nan 0.000 0.478 247 Y N -0.149 120.273 120.300 0.203 0.000 2.420 247 Y HA 0.188 4.737 4.550 -0.001 0.000 0.292 247 Y C 2.242 178.228 175.900 0.144 0.000 1.119 247 Y CA 0.404 58.622 58.100 0.197 0.000 1.229 247 Y CB -0.529 37.959 38.460 0.046 0.000 1.026 247 Y HN 0.417 nan 8.280 nan 0.000 0.554 248 Y N -1.615 118.710 120.300 0.041 0.000 2.457 248 Y HA -0.083 4.467 4.550 -0.001 0.000 0.292 248 Y C 0.997 176.599 175.900 -0.497 0.000 1.125 248 Y CA 1.334 59.271 58.100 -0.272 0.000 1.254 248 Y CB -0.229 37.904 38.460 -0.545 0.000 1.012 248 Y HN 0.043 nan 8.280 nan 0.000 0.555 249 F N -0.603 119.297 119.950 -0.084 0.000 2.724 249 F HA 0.430 4.957 4.527 -0.001 0.000 0.306 249 F C 1.470 177.219 175.800 -0.085 0.000 1.100 249 F CA -0.037 57.880 58.000 -0.139 0.000 1.255 249 F CB -0.437 38.439 39.000 -0.206 0.000 1.072 249 F HN -0.075 nan 8.300 nan 0.000 0.589 250 A N 2.592 125.466 122.820 0.091 0.000 2.586 250 A HA 0.023 4.343 4.320 -0.001 0.000 0.231 250 A C -1.216 176.284 177.584 -0.140 0.000 1.055 250 A CA -0.597 51.401 52.037 -0.065 0.000 0.756 250 A CB -0.438 18.369 19.000 -0.321 0.000 0.988 250 A HN 0.124 nan 8.150 nan 0.000 0.509 251 P HA -0.076 nan 4.420 nan 0.000 0.237 251 P C 0.114 177.314 177.300 -0.168 0.000 1.178 251 P CA 1.363 64.394 63.100 -0.115 0.000 0.766 251 P CB 0.244 31.902 31.700 -0.070 0.000 0.876 252 D N -0.014 120.205 120.400 -0.302 0.000 3.105 252 D HA -0.057 4.583 4.640 -0.001 0.000 0.291 252 D C 0.376 176.543 176.300 -0.221 0.000 1.218 252 D CA 0.435 54.274 54.000 -0.268 0.000 1.029 252 D CB -1.268 39.357 40.800 -0.291 0.000 1.207 252 D HN 0.248 nan 8.370 nan 0.000 0.437 253 H N 0.934 119.912 119.070 -0.154 0.000 2.872 253 H HA 0.500 5.055 4.556 -0.001 0.000 0.273 253 H C 1.124 176.379 175.328 -0.121 0.000 1.205 253 H CA -0.695 55.261 56.048 -0.152 0.000 1.342 253 H CB 0.837 30.445 29.762 -0.258 0.000 1.469 253 H HN 0.034 nan 8.280 nan 0.000 0.487 254 R N 1.995 122.519 120.500 0.039 0.000 2.191 254 R HA 0.002 4.342 4.340 -0.001 0.000 0.196 254 R C 0.719 177.058 176.300 0.065 0.000 0.991 254 R CA 1.091 57.181 56.100 -0.017 0.000 1.075 254 R CB -1.145 29.070 30.300 -0.141 0.000 1.040 254 R HN 0.558 nan 8.270 nan 0.000 0.526 255 T N -0.374 114.207 114.554 0.045 0.000 3.067 255 T HA 0.109 4.458 4.350 -0.001 0.000 0.261 255 T C 1.926 176.672 174.700 0.075 0.000 1.110 255 T CA 0.532 62.644 62.100 0.020 0.000 1.113 255 T CB -0.253 68.600 68.868 -0.025 0.000 0.917 255 T HN -0.055 nan 8.240 nan 0.000 0.499 256 V N 1.043 121.038 119.914 0.136 0.000 2.867 256 V HA 0.045 4.164 4.120 -0.001 0.000 0.260 256 V C 1.918 178.116 176.094 0.173 0.000 1.099 256 V CA 1.077 63.464 62.300 0.145 0.000 1.122 256 V CB -0.651 31.292 31.823 0.199 0.000 0.708 256 V HN 0.448 nan 8.190 nan 0.000 0.490 257 L N -0.642 120.717 121.223 0.226 0.000 2.769 257 L HA 0.323 4.662 4.340 -0.001 0.000 0.240 257 L C 1.436 178.452 176.870 0.243 0.000 1.163 257 L CA 0.754 55.730 54.840 0.227 0.000 0.962 257 L CB 0.137 42.385 42.059 0.314 0.000 1.258 257 L HN 0.282 nan 8.230 nan 0.000 0.513 258 E N -1.734 118.526 120.200 0.100 0.000 2.572 258 E HA 0.053 4.402 4.350 -0.001 0.000 0.220 258 E C 1.075 177.625 176.600 -0.083 0.000 0.945 258 E CA 0.162 56.479 56.400 -0.137 0.000 1.070 258 E CB 0.599 30.018 29.700 -0.468 0.000 1.090 258 E HN 0.438 nan 8.360 nan 0.000 0.506 259 L N -0.693 120.553 121.223 0.037 0.000 2.777 259 L HA 0.220 4.559 4.340 -0.001 0.000 0.172 259 L C 1.404 178.348 176.870 0.123 0.000 1.179 259 L CA 0.581 55.463 54.840 0.070 0.000 0.859 259 L CB -0.392 41.740 42.059 0.121 0.000 1.269 259 L HN 0.036 nan 8.230 nan 0.000 0.511 260 Y N 0.849 121.141 120.300 -0.013 0.000 2.483 260 Y HA 0.252 4.802 4.550 -0.001 0.000 0.291 260 Y C 0.735 176.625 175.900 -0.016 0.000 1.143 260 Y CA 0.472 58.557 58.100 -0.025 0.000 1.289 260 Y CB -0.278 38.157 38.460 -0.041 0.000 0.983 260 Y HN 0.244 nan 8.280 nan 0.000 0.556 261 A N 0.138 123.040 122.820 0.136 0.000 2.411 261 A HA 0.403 4.722 4.320 -0.001 0.000 0.285 261 A C -1.953 175.699 177.584 0.112 0.000 1.129 261 A CA -1.191 50.911 52.037 0.110 0.000 0.736 261 A CB 0.932 20.002 19.000 0.116 0.000 1.186 261 A HN -0.026 nan 8.150 nan 0.000 0.445 262 P HA -0.072 nan 4.420 nan 0.000 0.222 262 P C 0.203 177.581 177.300 0.130 0.000 1.153 262 P CA 1.157 64.304 63.100 0.078 0.000 0.798 262 P CB 0.689 32.415 31.700 0.043 0.000 0.796 263 D N -1.526 118.958 120.400 0.141 0.000 2.716 263 D HA 0.075 4.714 4.640 -0.001 0.000 0.273 263 D C 1.959 178.371 176.300 0.187 0.000 1.024 263 D CA 0.269 54.359 54.000 0.150 0.000 0.944 263 D CB 0.033 40.889 40.800 0.094 0.000 1.186 263 D HN -0.203 nan 8.370 nan 0.000 0.485 264 M N 0.756 120.463 119.600 0.177 0.000 2.255 264 M HA -0.168 4.311 4.480 -0.001 0.000 0.259 264 M C 2.052 178.465 176.300 0.188 0.000 1.071 264 M CA 0.851 56.273 55.300 0.203 0.000 1.074 264 M CB -1.119 31.583 32.600 0.171 0.000 1.384 264 M HN 0.112 nan 8.290 nan 0.000 0.415 265 F N 1.384 121.390 119.950 0.094 0.000 2.075 265 F HA -0.227 4.299 4.527 -0.001 0.000 0.297 265 F C 2.248 178.064 175.800 0.027 0.000 1.113 265 F CA 2.153 60.213 58.000 0.100 0.000 1.218 265 F CB -0.417 38.652 39.000 0.116 0.000 0.984 265 F HN 0.111 nan 8.300 nan 0.000 0.472 266 E N -0.521 119.737 120.200 0.097 0.000 2.160 266 E HA -0.257 4.092 4.350 -0.001 0.000 0.195 266 E C 2.058 178.599 176.600 -0.097 0.000 0.991 266 E CA 1.542 57.922 56.400 -0.033 0.000 0.810 266 E CB -0.798 28.992 29.700 0.151 0.000 0.742 266 E HN 0.602 nan 8.360 nan 0.000 0.466 267 Y N 0.172 120.376 120.300 -0.160 0.000 2.089 267 Y HA -0.200 4.349 4.550 -0.001 0.000 0.282 267 Y C 1.968 177.683 175.900 -0.309 0.000 1.139 267 Y CA 1.717 59.729 58.100 -0.147 0.000 1.123 267 Y CB -0.468 37.977 38.460 -0.025 0.000 0.980 267 Y HN 0.060 nan 8.280 nan 0.000 0.493 268 M N 0.369 119.671 119.600 -0.497 0.000 2.080 268 M HA -0.262 4.217 4.480 -0.001 0.000 0.260 268 M C 2.121 177.702 176.300 -1.199 0.000 1.068 268 M CA 1.619 56.350 55.300 -0.949 0.000 1.109 268 M CB -1.696 30.174 32.600 -1.218 0.000 1.342 268 M HN 0.406 nan 8.290 nan 0.000 0.405 269 N N 0.852 118.861 118.700 -1.152 0.000 2.043 269 N HA -0.214 4.525 4.740 -0.001 0.000 0.193 269 N C 1.688 176.896 175.510 -0.504 0.000 1.037 269 N CA 1.761 54.312 53.050 -0.832 0.000 0.851 269 N CB -0.071 37.953 38.487 -0.772 0.000 1.027 269 N HN 0.199 nan 8.380 nan 0.000 0.422 270 K N 1.027 121.195 120.400 -0.386 0.000 2.074 270 K HA -0.041 4.279 4.320 -0.001 0.000 0.209 270 K C 2.274 178.669 176.600 -0.343 0.000 1.048 270 K CA 0.929 57.066 56.287 -0.249 0.000 0.926 270 K CB -0.381 32.045 32.500 -0.124 0.000 0.713 270 K HN 0.216 nan 8.250 nan 0.000 0.444 271 L N 0.316 121.201 121.223 -0.563 0.000 1.994 271 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 271 L C 2.646 179.064 176.870 -0.753 0.000 1.071 271 L CA 1.928 56.290 54.840 -0.796 0.000 0.745 271 L CB -0.534 40.787 42.059 -1.230 0.000 0.892 271 L HN 0.431 nan 8.230 nan 0.000 0.431 272 E N 0.424 120.242 120.200 -0.637 0.000 2.153 272 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 272 E C 2.121 178.642 176.600 -0.131 0.000 0.988 272 E CA 0.952 57.203 56.400 -0.248 0.000 0.811 272 E CB 0.156 29.797 29.700 -0.098 0.000 0.746 272 E HN 0.347 nan 8.360 nan 0.000 0.466 273 K N -1.134 119.159 120.400 -0.178 0.000 2.077 273 K HA -0.192 4.128 4.320 -0.001 0.000 0.213 273 K C 1.526 178.094 176.600 -0.054 0.000 1.051 273 K CA 1.510 57.740 56.287 -0.096 0.000 0.929 273 K CB -0.098 32.338 32.500 -0.106 0.000 0.715 273 K HN 0.332 nan 8.250 nan 0.000 0.451 274 G N -2.072 106.683 108.800 -0.074 0.000 4.616 274 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.214 274 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.214 274 G C 0.837 175.726 174.900 -0.019 0.000 0.653 274 G CA 0.148 45.237 45.100 -0.019 0.000 0.816 274 G HN 0.336 nan 8.290 nan 0.000 0.601 275 G N 0.588 109.325 108.800 -0.106 0.000 2.470 275 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.220 275 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.220 275 G C 1.345 176.279 174.900 0.057 0.000 1.121 275 G CA 0.864 45.904 45.100 -0.100 0.000 0.766 275 G HN 0.435 nan 8.290 nan 0.000 0.553 276 F N -0.132 119.821 119.950 0.005 0.000 2.512 276 F HA 0.144 4.671 4.527 -0.001 0.000 0.296 276 F C 2.540 178.351 175.800 0.018 0.000 1.110 276 F CA 0.492 58.510 58.000 0.031 0.000 1.446 276 F CB 0.351 39.391 39.000 0.067 0.000 1.092 276 F HN 0.222 nan 8.300 nan 0.000 0.554 277 E N 0.919 121.235 120.200 0.195 0.000 2.285 277 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 277 E C 1.742 178.388 176.600 0.076 0.000 0.997 277 E CA 0.451 56.916 56.400 0.108 0.000 0.845 277 E CB 0.239 29.984 29.700 0.075 0.000 0.782 277 E HN 0.348 nan 8.360 nan 0.000 0.491 278 K N 0.754 121.203 120.400 0.081 0.000 1.975 278 K HA -0.159 4.161 4.320 -0.001 0.000 0.224 278 K C 1.998 178.625 176.600 0.044 0.000 1.038 278 K CA 1.594 57.912 56.287 0.052 0.000 1.009 278 K CB -0.363 32.166 32.500 0.048 0.000 0.750 278 K HN 0.167 nan 8.250 nan 0.000 0.445 279 I N 1.249 121.851 120.570 0.053 0.000 2.479 279 I HA -0.214 3.956 4.170 -0.001 0.000 0.258 279 I C 2.216 178.338 176.117 0.008 0.000 1.165 279 I CA 1.307 62.620 61.300 0.023 0.000 1.422 279 I CB -1.607 36.406 38.000 0.022 0.000 1.087 279 I HN 0.192 nan 8.210 nan 0.000 0.441 280 S N -0.136 115.580 115.700 0.027 0.000 2.660 280 S HA -0.032 4.438 4.470 -0.001 0.000 0.223 280 S C 1.512 176.115 174.600 0.006 0.000 0.963 280 S CA 0.551 58.757 58.200 0.010 0.000 0.932 280 S CB -0.030 63.187 63.200 0.028 0.000 0.775 280 S HN 0.420 nan 8.310 nan 0.000 0.531 281 E N -0.073 120.131 120.200 0.007 0.000 2.505 281 E HA 0.104 4.453 4.350 -0.001 0.000 0.212 281 E C 1.604 178.200 176.600 -0.006 0.000 0.825 281 E CA 0.695 57.096 56.400 0.001 0.000 1.333 281 E CB 0.183 29.888 29.700 0.008 0.000 1.319 281 E HN 0.563 nan 8.360 nan 0.000 0.658 282 S N 0.092 115.789 115.700 -0.006 0.000 2.603 282 S HA 0.048 4.518 4.470 -0.001 0.000 0.220 282 S C 1.605 176.193 174.600 -0.021 0.000 0.967 282 S CA 0.346 58.538 58.200 -0.012 0.000 0.920 282 S CB 0.140 63.334 63.200 -0.010 0.000 0.773 282 S HN -0.011 nan 8.310 nan 0.000 0.529 283 L N 0.534 121.742 121.223 -0.024 0.000 2.526 283 L HA 0.469 4.808 4.340 -0.001 0.000 0.210 283 L C 2.271 179.122 176.870 -0.032 0.000 1.048 283 L CA 0.810 55.629 54.840 -0.035 0.000 0.852 283 L CB -0.522 41.510 42.059 -0.045 0.000 1.128 283 L HN 0.191 nan 8.230 nan 0.000 0.482 284 K N 1.109 121.494 120.400 -0.025 0.000 2.063 284 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 284 K C 2.005 178.590 176.600 -0.024 0.000 1.048 284 K CA 1.827 58.100 56.287 -0.024 0.000 0.928 284 K CB -0.060 32.431 32.500 -0.016 0.000 0.713 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 K N 0.009 120.396 120.400 -0.021 0.000 2.025 285 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 285 K C 1.852 178.436 176.600 -0.026 0.000 1.049 285 K CA 1.758 58.032 56.287 -0.022 0.000 0.933 285 K CB -0.331 32.158 32.500 -0.018 0.000 0.714 285 K HN 0.217 nan 8.250 nan 0.000 0.438 286 E N 0.895 121.079 120.200 -0.027 0.000 2.512 286 E HA -0.009 4.341 4.350 -0.001 0.000 0.195 286 E C 1.574 178.153 176.600 -0.034 0.000 1.083 286 E CA 0.247 56.629 56.400 -0.030 0.000 0.873 286 E CB -0.090 29.592 29.700 -0.031 0.000 0.897 286 E HN 0.547 nan 8.360 nan 0.000 0.514 287 G N 0.034 108.814 108.800 -0.034 0.000 2.408 287 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.215 287 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.215 287 G C 1.444 176.321 174.900 -0.038 0.000 1.156 287 G CA 0.920 45.999 45.100 -0.036 0.000 0.793 287 G HN 0.258 nan 8.290 nan 0.000 0.535 288 V N -1.094 118.798 119.914 -0.037 0.000 2.326 288 V HA 0.121 4.241 4.120 -0.001 0.000 0.237 288 V C 2.186 178.256 176.094 -0.041 0.000 1.044 288 V CA 1.441 63.716 62.300 -0.042 0.000 1.035 288 V CB -1.226 30.571 31.823 -0.044 0.000 0.675 288 V HN 0.306 nan 8.190 nan 0.000 0.470 289 E N 0.927 121.106 120.200 -0.035 0.000 2.301 289 E HA -0.284 4.065 4.350 -0.001 0.000 0.202 289 E C 1.895 178.477 176.600 -0.030 0.000 1.017 289 E CA 1.871 58.252 56.400 -0.031 0.000 0.831 289 E CB -0.169 29.515 29.700 -0.026 0.000 0.742 289 E HN 0.717 nan 8.360 nan 0.000 0.491 290 K N 1.079 121.460 120.400 -0.032 0.000 2.027 290 K HA -0.089 4.230 4.320 -0.001 0.000 0.215 290 K C 0.543 177.124 176.600 -0.032 0.000 1.027 290 K CA 0.532 56.800 56.287 -0.031 0.000 0.967 290 K CB -0.021 32.459 32.500 -0.034 0.000 0.867 290 K HN -0.143 nan 8.250 nan 0.000 0.449 291 D N 1.406 121.785 120.400 -0.035 0.000 2.349 291 D HA 0.047 4.686 4.640 -0.001 0.000 0.266 291 D C -0.256 176.018 176.300 -0.043 0.000 1.293 291 D CA 0.419 54.397 54.000 -0.037 0.000 0.926 291 D CB 0.326 41.103 40.800 -0.038 0.000 1.090 291 D HN 0.194 nan 8.370 nan 0.000 0.502 292 R N 2.220 122.696 120.500 -0.040 0.000 3.145 292 R HA 0.512 4.851 4.340 -0.001 0.000 0.253 292 R C -0.645 175.631 176.300 -0.039 0.000 1.289 292 R CA -0.720 55.352 56.100 -0.047 0.000 1.030 292 R CB 0.468 30.744 30.300 -0.039 0.000 1.387 292 R HN 0.399 nan 8.270 nan 0.000 0.466 293 I N 0.512 121.063 120.570 -0.031 0.000 2.371 293 I HA 0.318 4.487 4.170 -0.001 0.000 0.282 293 I C -0.238 175.891 176.117 0.020 0.000 1.031 293 I CA -0.894 60.400 61.300 -0.010 0.000 1.180 293 I CB 1.127 39.121 38.000 -0.009 0.000 1.336 293 I HN 0.197 nan 8.210 nan 0.000 0.467 294 D N 5.637 126.041 120.400 0.007 0.000 2.658 294 D HA 0.023 4.663 4.640 -0.001 0.000 0.230 294 D C 0.851 177.163 176.300 0.021 0.000 1.118 294 D CA 0.625 54.631 54.000 0.010 0.000 0.848 294 D CB 1.109 41.910 40.800 0.003 0.000 1.160 294 D HN 0.611 nan 8.370 nan 0.000 0.497 295 V N 1.572 121.499 119.914 0.022 0.000 3.544 295 V HA 0.125 4.244 4.120 -0.001 0.000 0.298 295 V C 0.681 176.776 176.094 0.001 0.000 1.580 295 V CA -0.296 62.012 62.300 0.012 0.000 1.122 295 V CB -1.283 30.566 31.823 0.044 0.000 0.951 295 V HN 0.659 nan 8.190 nan 0.000 0.448 296 L N -0.080 121.149 121.223 0.010 0.000 3.828 296 L HA -0.214 4.126 4.340 -0.001 0.000 0.562 296 L C 0.295 177.175 176.870 0.016 0.000 1.083 296 L CA 0.937 55.785 54.840 0.014 0.000 0.849 296 L CB -2.042 40.029 42.059 0.021 0.000 1.134 296 L HN 0.488 nan 8.230 nan 0.000 0.757 297 K N 2.732 123.137 120.400 0.010 0.000 2.525 297 K HA 0.740 5.059 4.320 -0.001 0.000 0.262 297 K C 1.111 177.717 176.600 0.010 0.000 1.049 297 K CA -0.257 56.035 56.287 0.009 0.000 0.961 297 K CB 0.055 32.556 32.500 0.002 0.000 1.258 297 K HN 0.764 nan 8.250 nan 0.000 0.501 298 G N 0.633 109.421 108.800 -0.020 0.000 2.907 298 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.242 298 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.242 298 G C 0.402 175.287 174.900 -0.025 0.000 1.448 298 G CA 0.260 45.308 45.100 -0.086 0.000 0.911 298 G HN 0.784 nan 8.290 nan 0.000 0.553 299 E N -0.236 119.913 120.200 -0.084 0.000 2.492 299 E HA -0.153 4.197 4.350 -0.001 0.000 0.204 299 E C 2.142 178.769 176.600 0.045 0.000 1.073 299 E CA 1.243 57.642 56.400 -0.002 0.000 0.887 299 E CB -0.171 29.502 29.700 -0.045 0.000 0.813 299 E HN 0.506 nan 8.360 nan 0.000 0.562 300 K N -0.956 119.468 120.400 0.039 0.000 2.296 300 K HA -0.024 4.295 4.320 -0.001 0.000 0.200 300 K C 1.661 178.309 176.600 0.080 0.000 1.048 300 K CA 0.686 56.999 56.287 0.043 0.000 0.966 300 K CB 0.229 32.743 32.500 0.023 0.000 0.754 300 K HN 0.083 nan 8.250 nan 0.000 0.466 301 A N 0.828 123.731 122.820 0.139 0.000 1.909 301 A HA -0.023 4.296 4.320 -0.001 0.000 0.209 301 A C 1.670 179.440 177.584 0.310 0.000 1.247 301 A CA 0.115 52.279 52.037 0.212 0.000 0.660 301 A CB -0.428 18.703 19.000 0.218 0.000 0.910 301 A HN 0.242 nan 8.150 nan 0.000 0.465 302 L N -0.533 120.966 121.223 0.461 0.000 2.671 302 L HA -0.123 4.217 4.340 -0.001 0.000 0.236 302 L C 1.513 178.421 176.870 0.062 0.000 1.178 302 L CA 1.660 56.718 54.840 0.363 0.000 0.829 302 L CB -0.396 42.002 42.059 0.566 0.000 0.956 302 L HN 0.133 nan 8.230 nan 0.000 0.455 303 K N -0.890 119.555 120.400 0.075 0.000 2.308 303 K HA 0.296 4.615 4.320 -0.001 0.000 0.197 303 K C 1.725 178.324 176.600 -0.001 0.000 1.049 303 K CA 0.920 57.218 56.287 0.018 0.000 0.991 303 K CB 0.331 32.849 32.500 0.030 0.000 0.836 303 K HN 0.431 nan 8.250 nan 0.000 0.500 304 A N -0.015 122.818 122.820 0.022 0.000 2.252 304 A HA 0.038 4.358 4.320 -0.001 0.000 0.213 304 A C 1.994 179.561 177.584 -0.029 0.000 1.188 304 A CA 0.720 52.767 52.037 0.016 0.000 0.863 304 A CB -0.064 18.968 19.000 0.053 0.000 0.893 304 A HN 0.174 nan 8.150 nan 0.000 0.495 305 S N -0.670 114.962 115.700 -0.114 0.000 2.400 305 S HA 0.050 4.520 4.470 -0.001 0.000 0.232 305 S C 1.851 176.241 174.600 -0.350 0.000 1.025 305 S CA 2.165 60.128 58.200 -0.395 0.000 0.993 305 S CB -0.414 62.083 63.200 -1.171 0.000 0.808 305 S HN 1.766 nan 8.310 nan 0.000 0.478 306 G N 0.184 108.844 108.800 -0.233 0.000 2.507 306 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.240 306 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.240 306 G C 0.129 174.907 174.900 -0.203 0.000 1.119 306 G CA 0.511 45.521 45.100 -0.150 0.000 0.664 306 G HN 0.556 nan 8.290 nan 0.000 0.516 307 L N 0.601 121.563 121.223 -0.434 0.000 2.510 307 L HA 0.323 4.662 4.340 -0.001 0.000 0.300 307 L C 1.182 177.896 176.870 -0.259 0.000 1.283 307 L CA 0.571 55.099 54.840 -0.521 0.000 0.834 307 L CB 0.337 41.808 42.059 -0.981 0.000 1.085 307 L HN 0.125 nan 8.230 nan 0.000 0.545 308 V N 4.066 123.916 119.914 -0.107 0.000 2.350 308 V HA 0.170 4.289 4.120 -0.001 0.000 0.276 308 V C -1.387 174.540 176.094 -0.279 0.000 1.028 308 V CA -1.155 61.022 62.300 -0.206 0.000 0.860 308 V CB 1.277 32.885 31.823 -0.358 0.000 0.990 308 V HN 0.700 nan 8.190 nan 0.000 0.453 309 P HA -0.259 nan 4.420 nan 0.000 0.222 309 P C 1.385 178.623 177.300 -0.103 0.000 1.157 309 P CA 1.699 64.748 63.100 -0.085 0.000 0.905 309 P CB 0.291 31.958 31.700 -0.056 0.000 0.792 310 E N -2.273 117.802 120.200 -0.208 0.000 2.204 310 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 310 E C 1.910 178.425 176.600 -0.142 0.000 0.990 310 E CA 0.903 57.206 56.400 -0.161 0.000 0.821 310 E CB -0.463 29.123 29.700 -0.189 0.000 0.750 310 E HN 0.577 nan 8.360 nan 0.000 0.477 311 H N 0.243 119.154 119.070 -0.266 0.000 2.294 311 H HA 0.036 4.591 4.556 -0.001 0.000 0.306 311 H C 2.318 177.171 175.328 -0.793 0.000 1.065 311 H CA 0.528 56.236 56.048 -0.567 0.000 1.343 311 H CB -0.014 29.453 29.762 -0.490 0.000 1.396 311 H HN 0.150 nan 8.280 nan 0.000 0.506 312 A N 1.510 124.104 122.820 -0.378 0.000 1.859 312 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 312 A C 1.970 179.543 177.584 -0.018 0.000 1.209 312 A CA 2.277 54.162 52.037 -0.254 0.000 0.639 312 A CB -0.763 18.063 19.000 -0.290 0.000 0.835 312 A HN 0.430 nan 8.150 nan 0.000 0.450 313 D N -0.318 120.176 120.400 0.157 0.000 2.158 313 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 313 D C 2.214 178.593 176.300 0.132 0.000 0.995 313 D CA 1.561 55.716 54.000 0.258 0.000 0.846 313 D CB -0.251 40.646 40.800 0.162 0.000 0.941 313 D HN 0.477 nan 8.370 nan 0.000 0.456 314 A N 0.453 123.272 122.820 -0.001 0.000 1.902 314 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 314 A C 2.143 179.796 177.584 0.116 0.000 1.181 314 A CA 0.908 52.944 52.037 -0.001 0.000 0.623 314 A CB -1.061 17.871 19.000 -0.114 0.000 0.818 314 A HN 0.222 nan 8.150 nan 0.000 0.443 315 F N -0.119 119.886 119.950 0.091 0.000 2.171 315 F HA -0.162 4.365 4.527 -0.001 0.000 0.300 315 F C 2.304 178.161 175.800 0.096 0.000 1.090 315 F CA 1.256 59.309 58.000 0.089 0.000 1.293 315 F CB -0.076 38.961 39.000 0.062 0.000 1.013 315 F HN 0.164 nan 8.300 nan 0.000 0.486 316 K N 1.180 121.759 120.400 0.299 0.000 2.366 316 K HA -0.261 4.058 4.320 -0.001 0.000 0.202 316 K C 2.024 178.738 176.600 0.189 0.000 1.045 316 K CA 1.265 57.705 56.287 0.255 0.000 0.934 316 K CB -0.107 32.589 32.500 0.326 0.000 0.746 316 K HN 0.218 nan 8.250 nan 0.000 0.470 317 K N 0.284 120.792 120.400 0.181 0.000 2.098 317 K HA -0.065 4.254 4.320 -0.001 0.000 0.203 317 K C 1.862 178.543 176.600 0.134 0.000 1.051 317 K CA 0.732 57.103 56.287 0.140 0.000 0.957 317 K CB 0.053 32.631 32.500 0.129 0.000 0.738 317 K HN 0.001 nan 8.250 nan 0.000 0.447 318 I N 1.900 122.568 120.570 0.164 0.000 2.252 318 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 318 I C 2.463 178.652 176.117 0.121 0.000 1.102 318 I CA 1.330 62.716 61.300 0.143 0.000 1.385 318 I CB -0.601 37.499 38.000 0.167 0.000 1.064 318 I HN 0.161 nan 8.210 nan 0.000 0.414 319 A N 0.772 123.667 122.820 0.126 0.000 1.859 319 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 319 A C 2.501 180.133 177.584 0.081 0.000 1.198 319 A CA 2.019 54.114 52.037 0.098 0.000 0.629 319 A CB -0.727 18.318 19.000 0.075 0.000 0.830 319 A HN 0.328 nan 8.150 nan 0.000 0.446 320 R N -0.867 119.680 120.500 0.078 0.000 2.083 320 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 320 R C 2.412 178.745 176.300 0.055 0.000 1.137 320 R CA 1.714 57.852 56.100 0.063 0.000 0.951 320 R CB -0.397 29.942 30.300 0.064 0.000 0.851 320 R HN 0.838 nan 8.270 nan 0.000 0.434 321 E N 0.798 121.035 120.200 0.062 0.000 2.077 321 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 321 E C 1.482 178.103 176.600 0.036 0.000 0.989 321 E CA 1.079 57.509 56.400 0.050 0.000 0.800 321 E CB 0.097 29.834 29.700 0.060 0.000 0.746 321 E HN 0.280 nan 8.360 nan 0.000 0.452 322 L N 0.442 121.693 121.223 0.046 0.000 2.640 322 L HA 0.169 4.508 4.340 -0.001 0.000 0.230 322 L C 0.425 177.300 176.870 0.008 0.000 1.123 322 L CA -0.112 54.745 54.840 0.028 0.000 0.900 322 L CB -0.297 41.796 42.059 0.058 0.000 1.146 322 L HN 0.179 nan 8.230 nan 0.000 0.484 323 N N 1.553 120.272 118.700 0.032 0.000 2.586 323 N HA -0.197 4.543 4.740 -0.001 0.000 0.282 323 N C -0.402 175.155 175.510 0.078 0.000 1.171 323 N CA 0.669 53.745 53.050 0.043 0.000 0.733 323 N CB -0.169 38.296 38.487 -0.036 0.000 0.910 323 N HN 0.372 nan 8.380 nan 0.000 0.548 324 T N 0.617 115.281 114.554 0.184 0.000 3.395 324 T HA 0.277 4.626 4.350 -0.001 0.000 0.330 324 T C -0.504 174.401 174.700 0.341 0.000 1.076 324 T CA -0.684 61.595 62.100 0.298 0.000 1.070 324 T CB 0.433 69.409 68.868 0.180 0.000 1.119 324 T HN 0.211 nan 8.240 nan 0.000 0.462 325 Y N 3.063 123.520 120.300 0.262 0.000 2.652 325 Y HA 0.468 5.017 4.550 -0.001 0.000 0.344 325 Y C 0.893 176.872 175.900 0.131 0.000 1.254 325 Y CA -0.379 57.820 58.100 0.165 0.000 1.480 325 Y CB 0.379 38.921 38.460 0.136 0.000 1.345 325 Y HN 0.588 nan 8.280 nan 0.000 0.617 326 I N 4.039 124.732 120.570 0.205 0.000 2.499 326 I HA 0.319 4.489 4.170 -0.001 0.000 0.288 326 I C -1.446 174.727 176.117 0.093 0.000 1.048 326 I CA -0.779 60.579 61.300 0.097 0.000 1.062 326 I CB 1.541 39.593 38.000 0.087 0.000 1.238 326 I HN 0.219 nan 8.210 nan 0.000 0.426 327 L N 6.363 127.572 121.223 -0.023 0.000 2.386 327 L HA 0.622 4.961 4.340 -0.001 0.000 0.271 327 L C -0.948 175.886 176.870 -0.060 0.000 0.993 327 L CA -0.200 54.674 54.840 0.058 0.000 0.819 327 L CB 1.552 43.631 42.059 0.035 0.000 1.294 327 L HN 0.263 nan 8.230 nan 0.000 0.414 328 F N 0.519 120.543 119.950 0.124 0.000 2.561 328 F HA 0.671 5.198 4.527 -0.001 0.000 0.321 328 F C 0.774 176.677 175.800 0.172 0.000 1.065 328 F CA -0.909 57.174 58.000 0.139 0.000 0.934 328 F CB 1.540 40.557 39.000 0.028 0.000 1.215 328 F HN 0.316 nan 8.300 nan 0.000 0.471 329 R N 0.803 121.533 120.500 0.384 0.000 2.611 329 R HA 0.411 4.751 4.340 -0.001 0.000 0.243 329 R C -2.470 173.974 176.300 0.239 0.000 1.260 329 R CA -1.438 54.857 56.100 0.325 0.000 1.095 329 R CB -0.140 30.347 30.300 0.311 0.000 1.259 329 R HN 0.255 nan 8.270 nan 0.000 0.575 330 P HA 0.163 nan 4.420 nan 0.000 0.296 330 P C -1.040 176.321 177.300 0.102 0.000 1.306 330 P CA -0.371 62.798 63.100 0.114 0.000 0.818 330 P CB 1.159 32.921 31.700 0.102 0.000 0.969 331 V N 3.479 123.425 119.914 0.053 0.000 2.408 331 V HA 0.148 4.268 4.120 -0.001 0.000 0.267 331 V C 0.841 176.963 176.094 0.047 0.000 1.047 331 V CA -0.609 61.739 62.300 0.080 0.000 0.937 331 V CB 0.139 32.011 31.823 0.081 0.000 0.999 331 V HN 0.563 nan 8.190 nan 0.000 0.472 332 N N 4.492 123.227 118.700 0.059 0.000 2.356 332 N HA -0.046 4.694 4.740 -0.001 0.000 0.252 332 N C 0.972 176.496 175.510 0.023 0.000 1.241 332 N CA 0.239 53.314 53.050 0.042 0.000 0.861 332 N CB 0.768 39.283 38.487 0.045 0.000 1.075 332 N HN 0.544 nan 8.380 nan 0.000 0.461 333 K N 2.822 123.232 120.400 0.017 0.000 2.032 333 K HA -0.068 4.251 4.320 -0.001 0.000 0.209 333 K C 0.661 177.264 176.600 0.004 0.000 1.048 333 K CA 1.177 57.467 56.287 0.005 0.000 0.927 333 K CB -0.244 32.261 32.500 0.008 0.000 0.712 333 K HN 0.473 nan 8.250 nan 0.000 0.441 334 L N 0.130 121.361 121.223 0.013 0.000 3.163 334 L HA 0.073 4.413 4.340 -0.001 0.000 0.261 334 L C 0.855 177.718 176.870 -0.012 0.000 1.313 334 L CA 0.625 55.470 54.840 0.009 0.000 1.111 334 L CB -0.994 41.079 42.059 0.023 0.000 1.511 334 L HN 0.226 nan 8.230 nan 0.000 0.419 335 A N -3.134 119.674 122.820 -0.020 0.000 2.442 335 A HA 0.059 4.379 4.320 -0.001 0.000 0.158 335 A C 1.808 179.373 177.584 -0.031 0.000 1.759 335 A CA 0.447 52.455 52.037 -0.049 0.000 1.304 335 A CB -0.141 18.835 19.000 -0.040 0.000 1.570 335 A HN 0.269 nan 8.150 nan 0.000 0.440 336 T N 1.887 116.435 114.554 -0.011 0.000 2.592 336 T HA -0.241 4.108 4.350 -0.001 0.000 0.267 336 T C 1.736 176.423 174.700 -0.021 0.000 1.060 336 T CA 2.103 64.198 62.100 -0.008 0.000 1.167 336 T CB -0.418 68.434 68.868 -0.026 0.000 0.863 336 T HN 0.521 nan 8.240 nan 0.000 0.431 337 N N 1.166 119.850 118.700 -0.027 0.000 2.207 337 N HA 0.087 4.826 4.740 -0.001 0.000 0.182 337 N C 2.026 177.525 175.510 -0.019 0.000 1.020 337 N CA 0.668 53.702 53.050 -0.027 0.000 0.858 337 N CB -0.462 38.014 38.487 -0.018 0.000 0.991 337 N HN 0.354 nan 8.380 nan 0.000 0.427 338 L N 1.049 122.250 121.223 -0.035 0.000 2.189 338 L HA -0.144 4.195 4.340 -0.001 0.000 0.214 338 L C 2.135 178.986 176.870 -0.031 0.000 1.097 338 L CA 0.912 55.714 54.840 -0.063 0.000 0.764 338 L CB -0.482 41.464 42.059 -0.189 0.000 0.900 338 L HN 0.136 nan 8.230 nan 0.000 0.436 339 I N -0.114 120.444 120.570 -0.021 0.000 2.193 339 I HA -0.257 3.912 4.170 -0.001 0.000 0.240 339 I C 2.689 178.865 176.117 0.098 0.000 1.084 339 I CA 1.171 62.477 61.300 0.010 0.000 1.365 339 I CB -0.260 37.712 38.000 -0.048 0.000 1.064 339 I HN 0.182 nan 8.210 nan 0.000 0.410 340 K N 0.802 121.220 120.400 0.031 0.000 2.103 340 K HA -0.217 4.102 4.320 -0.001 0.000 0.207 340 K C 2.297 178.941 176.600 0.073 0.000 1.048 340 K CA 1.696 57.991 56.287 0.013 0.000 0.930 340 K CB -0.147 32.304 32.500 -0.081 0.000 0.716 340 K HN 0.090 nan 8.250 nan 0.000 0.444 341 S N -1.107 114.621 115.700 0.048 0.000 2.420 341 S HA -0.119 4.350 4.470 -0.001 0.000 0.237 341 S C 1.219 175.855 174.600 0.060 0.000 1.023 341 S CA 1.718 59.942 58.200 0.039 0.000 0.991 341 S CB -0.375 62.842 63.200 0.028 0.000 0.792 341 S HN 0.692 nan 8.310 nan 0.000 0.488 342 G N -0.840 108.041 108.800 0.135 0.000 2.192 342 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.193 342 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.193 342 G C -0.006 174.919 174.900 0.041 0.000 0.999 342 G CA -0.066 45.088 45.100 0.090 0.000 0.659 342 G HN 0.574 nan 8.290 nan 0.000 0.503 343 V N 1.849 121.807 119.914 0.073 0.000 2.585 343 V HA 0.521 4.640 4.120 -0.001 0.000 0.296 343 V C 1.356 177.490 176.094 0.067 0.000 1.035 343 V CA 0.287 62.591 62.300 0.006 0.000 1.084 343 V CB 0.766 32.526 31.823 -0.105 0.000 0.953 343 V HN 1.045 nan 8.190 nan 0.000 0.483 344 A N 4.897 127.725 122.820 0.014 0.000 2.346 344 A HA 0.590 4.909 4.320 -0.001 0.000 0.255 344 A C 0.665 178.253 177.584 0.008 0.000 1.113 344 A CA 0.164 52.231 52.037 0.050 0.000 0.798 344 A CB 0.128 19.117 19.000 -0.019 0.000 1.073 344 A HN 0.985 nan 8.150 nan 0.000 0.502 345 T N -1.105 113.443 114.554 -0.011 0.000 2.925 345 T HA 0.536 4.886 4.350 -0.001 0.000 0.285 345 T C -0.216 174.445 174.700 -0.065 0.000 1.021 345 T CA -0.870 61.188 62.100 -0.071 0.000 1.042 345 T CB 1.096 69.884 68.868 -0.134 0.000 1.037 345 T HN 0.731 nan 8.240 nan 0.000 0.481 346 K N 1.082 121.446 120.400 -0.060 0.000 2.416 346 K HA 0.420 4.739 4.320 -0.001 0.000 0.283 346 K C 0.827 177.397 176.600 -0.051 0.000 1.037 346 K CA -0.294 55.963 56.287 -0.050 0.000 0.995 346 K CB -0.146 32.337 32.500 -0.028 0.000 0.938 346 K HN 0.799 nan 8.250 nan 0.000 0.475 347 G N 3.168 111.928 108.800 -0.065 0.000 3.137 347 G HA2 0.147 4.107 3.960 -0.001 0.000 0.163 347 G HA3 0.147 4.107 3.960 -0.001 0.000 0.163 347 G C 0.548 175.444 174.900 -0.006 0.000 1.602 347 G CA -0.432 44.640 45.100 -0.047 0.000 1.067 347 G HN 0.607 nan 8.290 nan 0.000 0.568 348 L N 0.852 122.051 121.223 -0.041 0.000 2.357 348 L HA 0.105 4.444 4.340 -0.001 0.000 0.211 348 L C 2.697 179.366 176.870 -0.335 0.000 1.075 348 L CA 0.486 55.283 54.840 -0.072 0.000 0.830 348 L CB -0.182 41.884 42.059 0.011 0.000 0.996 348 L HN 0.588 nan 8.230 nan 0.000 0.467 349 N N 0.297 118.780 118.700 -0.362 0.000 2.137 349 N HA -0.120 4.619 4.740 -0.001 0.000 0.190 349 N C 0.518 175.686 175.510 -0.569 0.000 1.017 349 N CA 0.794 53.508 53.050 -0.560 0.000 0.859 349 N CB -0.346 37.834 38.487 -0.510 0.000 1.002 349 N HN 0.114 nan 8.380 nan 0.000 0.428 350 V N 1.646 121.291 119.914 -0.448 0.000 2.407 350 V HA 0.135 4.255 4.120 -0.001 0.000 0.278 350 V C -0.070 175.756 176.094 -0.447 0.000 1.037 350 V CA -0.517 61.566 62.300 -0.362 0.000 0.900 350 V CB 1.361 33.093 31.823 -0.152 0.000 0.983 350 V HN 0.326 nan 8.190 nan 0.000 0.459 351 H N 2.946 121.992 119.070 -0.040 0.000 2.510 351 H HA 0.341 4.896 4.556 -0.001 0.000 0.266 351 H C 0.800 176.104 175.328 -0.041 0.000 1.146 351 H CA 0.152 56.166 56.048 -0.056 0.000 0.993 351 H CB 1.038 30.752 29.762 -0.081 0.000 1.727 351 H HN 0.743 nan 8.280 nan 0.000 0.590 352 G N 0.791 109.609 108.800 0.031 0.000 2.504 352 G HA2 0.288 4.248 3.960 -0.001 0.000 0.288 352 G HA3 0.288 4.248 3.960 -0.001 0.000 0.288 352 G C 0.074 174.994 174.900 0.033 0.000 1.182 352 G CA -0.588 44.527 45.100 0.025 0.000 0.894 352 G HN -0.036 nan 8.290 nan 0.000 0.521 353 K N 0.586 121.010 120.400 0.040 0.000 2.143 353 K HA 0.370 4.689 4.320 -0.001 0.000 0.272 353 K C 0.627 177.267 176.600 0.068 0.000 1.001 353 K CA -0.429 55.892 56.287 0.055 0.000 0.915 353 K CB 1.691 34.230 32.500 0.066 0.000 1.047 353 K HN 0.435 nan 8.250 nan 0.000 0.458 354 S N 0.829 116.570 115.700 0.069 0.000 2.549 354 S HA 0.291 4.760 4.470 -0.001 0.000 0.260 354 S C 0.001 174.661 174.600 0.101 0.000 1.217 354 S CA -0.221 58.021 58.200 0.071 0.000 1.001 354 S CB 0.539 63.772 63.200 0.056 0.000 1.059 354 S HN 0.591 nan 8.310 nan 0.000 0.537 355 S N -0.612 115.146 115.700 0.096 0.000 2.579 355 S HA 0.538 5.008 4.470 -0.001 0.000 0.272 355 S C -2.469 172.206 174.600 0.126 0.000 1.141 355 S CA -0.600 57.682 58.200 0.137 0.000 0.843 355 S CB 1.272 64.496 63.200 0.040 0.000 1.122 355 S HN 0.752 nan 8.310 nan 0.000 0.468 356 D N 2.311 122.869 120.400 0.264 0.000 2.772 356 D HA 0.414 5.053 4.640 -0.001 0.000 0.326 356 D C -0.252 176.275 176.300 0.378 0.000 1.207 356 D CA -0.334 53.802 54.000 0.227 0.000 0.777 356 D CB -0.286 40.625 40.800 0.184 0.000 1.169 356 D HN 0.623 nan 8.370 nan 0.000 0.506 357 W N -0.476 120.811 121.300 -0.021 0.000 3.241 357 W HA 0.405 5.064 4.660 -0.001 0.000 0.334 357 W C 0.028 176.478 176.519 -0.116 0.000 0.936 357 W CA -0.661 56.651 57.345 -0.054 0.000 0.965 357 W CB -0.055 29.375 29.460 -0.050 0.000 1.429 357 W HN 0.773 nan 8.180 nan 0.000 0.541 358 G N 1.424 110.036 108.800 -0.314 0.000 2.698 358 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.233 358 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.233 358 G C -1.290 173.235 174.900 -0.624 0.000 1.352 358 G CA 0.247 44.893 45.100 -0.755 0.000 0.879 358 G HN 0.619 nan 8.290 nan 0.000 0.567 359 P HA -0.007 nan 4.420 nan 0.000 0.220 359 P C 2.025 179.087 177.300 -0.396 0.000 1.152 359 P CA 1.881 64.708 63.100 -0.456 0.000 0.812 359 P CB 0.017 31.463 31.700 -0.424 0.000 0.792 360 V N 0.677 120.292 119.914 -0.498 0.000 2.515 360 V HA 0.033 4.152 4.120 -0.001 0.000 0.250 360 V C 1.173 177.191 176.094 -0.127 0.000 1.058 360 V CA 1.109 63.194 62.300 -0.359 0.000 1.064 360 V CB -1.630 29.981 31.823 -0.354 0.000 0.675 360 V HN 0.164 nan 8.190 nan 0.000 0.461 361 A N 0.251 122.936 122.820 -0.225 0.000 2.591 361 A HA 0.256 4.576 4.320 -0.001 0.000 0.265 361 A C 1.635 179.266 177.584 0.079 0.000 0.946 361 A CA 1.157 53.145 52.037 -0.082 0.000 0.928 361 A CB -1.378 17.568 19.000 -0.089 0.000 0.816 361 A HN 2.171 nan 8.150 nan 0.000 0.466 362 G N 0.923 109.756 108.800 0.054 0.000 2.176 362 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.232 362 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.232 362 G C -0.086 174.740 174.900 -0.124 0.000 0.986 362 G CA 0.578 45.667 45.100 -0.017 0.000 0.643 362 G HN 1.141 nan 8.290 nan 0.000 0.522 363 Y N -0.255 120.016 120.300 -0.049 0.000 2.549 363 Y HA 0.681 5.230 4.550 -0.001 0.000 0.339 363 Y C 0.635 176.522 175.900 -0.021 0.000 1.053 363 Y CA -1.514 56.564 58.100 -0.037 0.000 1.105 363 Y CB 1.220 39.645 38.460 -0.057 0.000 1.258 363 Y HN -0.006 nan 8.280 nan 0.000 0.478 364 I N 4.788 125.445 120.570 0.146 0.000 2.206 364 I HA 0.148 4.318 4.170 -0.001 0.000 0.292 364 I C -2.403 173.783 176.117 0.115 0.000 1.156 364 I CA -2.736 58.623 61.300 0.099 0.000 1.356 364 I CB -0.933 37.106 38.000 0.066 0.000 1.494 364 I HN 0.246 nan 8.210 nan 0.000 0.601 365 P HA -0.184 nan 4.420 nan 0.000 0.255 365 P C 1.011 178.386 177.300 0.124 0.000 1.161 365 P CA 0.326 63.484 63.100 0.098 0.000 0.768 365 P CB 0.351 32.100 31.700 0.081 0.000 0.746 366 F N 4.065 124.041 119.950 0.043 0.000 2.147 366 F HA -0.207 4.319 4.527 -0.001 0.000 0.301 366 F C 0.764 176.621 175.800 0.096 0.000 1.084 366 F CA 1.352 59.386 58.000 0.057 0.000 1.268 366 F CB -0.343 38.680 39.000 0.038 0.000 1.009 366 F HN 0.216 nan 8.300 nan 0.000 0.486 367 D N 0.166 120.651 120.400 0.141 0.000 2.317 367 D HA 0.058 4.698 4.640 -0.001 0.000 0.252 367 D C 0.975 177.351 176.300 0.127 0.000 1.174 367 D CA -0.034 54.051 54.000 0.141 0.000 0.866 367 D CB 0.931 41.956 40.800 0.375 0.000 1.127 367 D HN 0.116 nan 8.370 nan 0.000 0.467 368 Q N 2.331 122.172 119.800 0.069 0.000 2.245 368 Q HA -0.086 4.254 4.340 -0.001 0.000 0.201 368 Q C 0.521 176.657 176.000 0.226 0.000 0.955 368 Q CA 0.734 56.602 55.803 0.109 0.000 0.870 368 Q CB 0.041 28.802 28.738 0.039 0.000 0.945 368 Q HN 0.635 nan 8.270 nan 0.000 0.461 369 D N -0.023 120.560 120.400 0.305 0.000 2.355 369 D HA 0.001 4.641 4.640 -0.001 0.000 0.253 369 D C 0.440 177.097 176.300 0.594 0.000 1.187 369 D CA 0.216 54.468 54.000 0.420 0.000 0.900 369 D CB -0.127 40.922 40.800 0.414 0.000 0.915 369 D HN 0.070 nan 8.370 nan 0.000 0.516 370 L N -0.085 121.446 121.223 0.514 0.000 3.439 370 L HA 0.223 4.562 4.340 -0.001 0.000 0.313 370 L C -0.506 176.593 176.870 0.383 0.000 1.292 370 L CA -0.169 54.996 54.840 0.542 0.000 1.020 370 L CB 0.258 42.576 42.059 0.431 0.000 1.424 370 L HN 0.038 nan 8.230 nan 0.000 0.612 371 S N -2.373 113.578 115.700 0.419 0.000 2.599 371 S HA 0.334 4.804 4.470 -0.001 0.000 0.287 371 S C 0.846 175.675 174.600 0.381 0.000 1.105 371 S CA -0.436 57.961 58.200 0.328 0.000 0.899 371 S CB 2.127 65.442 63.200 0.191 0.000 1.100 371 S HN 0.342 nan 8.310 nan 0.000 0.482 372 K N 1.175 121.762 120.400 0.311 0.000 2.091 372 K HA -0.270 4.050 4.320 -0.001 0.000 0.225 372 K C 0.350 177.042 176.600 0.153 0.000 1.028 372 K CA 1.806 58.224 56.287 0.218 0.000 0.965 372 K CB -0.823 31.763 32.500 0.143 0.000 0.786 372 K HN 0.435 nan 8.250 nan 0.000 0.459 373 K N 2.322 122.803 120.400 0.134 0.000 2.620 373 K HA -0.049 4.271 4.320 -0.001 0.000 0.234 373 K C -0.521 176.151 176.600 0.121 0.000 1.194 373 K CA 0.243 56.585 56.287 0.092 0.000 1.186 373 K CB -0.813 31.728 32.500 0.069 0.000 1.270 373 K HN 0.403 nan 8.250 nan 0.000 0.235 374 H N -0.020 119.039 119.070 -0.018 0.000 2.846 374 H HA 0.294 4.849 4.556 -0.001 0.000 0.278 374 H C 1.167 176.436 175.328 -0.100 0.000 1.117 374 H CA 0.967 56.976 56.048 -0.066 0.000 1.406 374 H CB 0.237 29.859 29.762 -0.233 0.000 1.445 374 H HN 0.684 nan 8.280 nan 0.000 0.469 375 G N 3.967 112.580 108.800 -0.313 0.000 2.391 375 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.204 375 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.204 375 G C 0.396 175.212 174.900 -0.140 0.000 1.012 375 G CA -0.202 44.714 45.100 -0.307 0.000 0.651 375 G HN 0.545 nan 8.290 nan 0.000 0.494 376 Q N 1.999 121.752 119.800 -0.079 0.000 2.912 376 Q HA 0.261 4.601 4.340 -0.001 0.000 0.231 376 Q C 1.752 177.735 176.000 -0.028 0.000 1.304 376 Q CA 0.432 56.211 55.803 -0.041 0.000 0.894 376 Q CB 0.197 28.926 28.738 -0.014 0.000 1.757 376 Q HN 0.562 nan 8.270 nan 0.000 0.521 377 Q N 0.466 120.241 119.800 -0.042 0.000 2.340 377 Q HA -0.261 4.078 4.340 -0.001 0.000 0.215 377 Q C 0.737 176.730 176.000 -0.012 0.000 0.998 377 Q CA 1.511 57.297 55.803 -0.028 0.000 0.921 377 Q CB 0.195 28.912 28.738 -0.036 0.000 0.926 377 Q HN 0.574 nan 8.270 nan 0.000 0.426 378 L N -1.271 119.946 121.223 -0.011 0.000 2.500 378 L HA 0.213 4.552 4.340 -0.001 0.000 0.219 378 L C 2.042 178.911 176.870 -0.001 0.000 1.057 378 L CA 1.135 55.971 54.840 -0.005 0.000 0.854 378 L CB -0.349 41.706 42.059 -0.007 0.000 1.078 378 L HN 0.093 nan 8.230 nan 0.000 0.480 379 A N -0.852 121.969 122.820 0.000 0.000 1.898 379 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 379 A C 2.134 179.726 177.584 0.012 0.000 1.181 379 A CA 1.992 54.032 52.037 0.006 0.000 0.620 379 A CB -0.827 18.179 19.000 0.010 0.000 0.819 379 A HN 0.189 nan 8.150 nan 0.000 0.442 380 V N -0.021 119.905 119.914 0.020 0.000 2.358 380 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 380 V C 2.520 178.624 176.094 0.017 0.000 1.047 380 V CA 2.293 64.614 62.300 0.034 0.000 1.035 380 V CB -0.828 31.028 31.823 0.055 0.000 0.658 380 V HN 0.675 nan 8.190 nan 0.000 0.452 381 E N 1.123 121.330 120.200 0.012 0.000 2.033 381 E HA -0.278 4.072 4.350 -0.001 0.000 0.199 381 E C 2.255 178.856 176.600 0.000 0.000 1.011 381 E CA 2.019 58.423 56.400 0.007 0.000 0.815 381 E CB -0.356 29.347 29.700 0.005 0.000 0.755 381 E HN 0.492 nan 8.360 nan 0.000 0.451 382 K N -0.957 119.443 120.400 -0.001 0.000 2.211 382 K HA -0.069 4.250 4.320 -0.001 0.000 0.203 382 K C 2.032 178.627 176.600 -0.009 0.000 1.050 382 K CA 1.038 57.322 56.287 -0.004 0.000 0.945 382 K CB -0.410 32.086 32.500 -0.006 0.000 0.732 382 K HN 0.281 nan 8.250 nan 0.000 0.451 383 G N 1.357 110.152 108.800 -0.008 0.000 2.446 383 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.217 383 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.217 383 G C 1.263 176.132 174.900 -0.051 0.000 1.168 383 G CA 0.820 45.912 45.100 -0.014 0.000 0.771 383 G HN 0.288 nan 8.290 nan 0.000 0.551 384 N N 0.645 119.301 118.700 -0.074 0.000 2.058 384 N HA -0.083 4.656 4.740 -0.001 0.000 0.191 384 N C 2.090 177.528 175.510 -0.119 0.000 1.037 384 N CA 0.678 53.625 53.050 -0.171 0.000 0.848 384 N CB -0.632 37.774 38.487 -0.135 0.000 1.021 384 N HN 0.108 nan 8.380 nan 0.000 0.422 385 L N 1.774 122.970 121.223 -0.044 0.000 2.270 385 L HA -0.190 4.149 4.340 -0.001 0.000 0.217 385 L C 1.826 178.702 176.870 0.010 0.000 1.107 385 L CA 1.726 56.564 54.840 -0.004 0.000 0.772 385 L CB -0.617 41.446 42.059 0.006 0.000 0.902 385 L HN 0.119 nan 8.230 nan 0.000 0.439 386 E N -0.160 120.039 120.200 -0.002 0.000 2.086 386 E HA -0.089 4.260 4.350 -0.001 0.000 0.190 386 E C 1.913 178.539 176.600 0.043 0.000 0.975 386 E CA 1.193 57.615 56.400 0.036 0.000 0.813 386 E CB 0.012 29.736 29.700 0.040 0.000 0.768 386 E HN 0.601 nan 8.360 nan 0.000 0.457 387 N N 0.229 118.923 118.700 -0.010 0.000 2.142 387 N HA -0.124 4.616 4.740 -0.001 0.000 0.186 387 N C 1.593 177.174 175.510 0.118 0.000 1.023 387 N CA 0.864 53.931 53.050 0.028 0.000 0.852 387 N CB -0.051 38.403 38.487 -0.056 0.000 0.998 387 N HN 0.051 nan 8.380 nan 0.000 0.424 388 K N 1.581 122.046 120.400 0.109 0.000 2.034 388 K HA -0.222 4.097 4.320 -0.001 0.000 0.214 388 K C 2.087 178.770 176.600 0.139 0.000 1.051 388 K CA 1.341 57.738 56.287 0.183 0.000 0.931 388 K CB -0.197 32.386 32.500 0.139 0.000 0.715 388 K HN 0.170 nan 8.250 nan 0.000 0.446 389 K N 0.984 121.450 120.400 0.109 0.000 2.057 389 K HA -0.106 4.213 4.320 -0.001 0.000 0.206 389 K C 2.200 178.891 176.600 0.151 0.000 1.050 389 K CA 1.507 57.861 56.287 0.112 0.000 0.935 389 K CB 0.013 32.577 32.500 0.106 0.000 0.715 389 K HN -0.005 nan 8.250 nan 0.000 0.439 390 S N 1.220 117.004 115.700 0.140 0.000 2.389 390 S HA -0.201 4.268 4.470 -0.001 0.000 0.231 390 S C 1.867 176.568 174.600 0.167 0.000 1.052 390 S CA 1.775 60.051 58.200 0.126 0.000 1.053 390 S CB -0.275 62.947 63.200 0.038 0.000 0.886 390 S HN 0.317 nan 8.310 nan 0.000 0.456 391 I N 0.477 121.132 120.570 0.142 0.000 2.296 391 I HA -0.110 4.059 4.170 -0.001 0.000 0.242 391 I C 2.533 178.710 176.117 0.100 0.000 1.087 391 I CA 0.987 62.359 61.300 0.121 0.000 1.393 391 I CB -1.172 36.898 38.000 0.117 0.000 1.093 391 I HN 0.214 nan 8.210 nan 0.000 0.421 392 T N 0.963 115.573 114.554 0.094 0.000 2.531 392 T HA -0.296 4.053 4.350 -0.001 0.000 0.261 392 T C 1.694 176.410 174.700 0.027 0.000 1.141 392 T CA 2.159 64.295 62.100 0.060 0.000 1.176 392 T CB -0.491 68.414 68.868 0.062 0.000 0.863 392 T HN 0.413 nan 8.240 nan 0.000 0.424 393 E N 0.281 120.493 120.200 0.020 0.000 2.001 393 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 393 E C 0.486 176.960 176.600 -0.212 0.000 0.994 393 E CA 0.984 57.311 56.400 -0.122 0.000 0.815 393 E CB -0.187 29.399 29.700 -0.190 0.000 0.770 393 E HN 0.647 nan 8.360 nan 0.000 0.453 394 H N 1.442 120.522 119.070 0.017 0.000 2.908 394 H HA 0.141 4.696 4.556 -0.001 0.000 0.269 394 H C -0.499 174.835 175.328 0.010 0.000 1.303 394 H CA -0.506 55.548 56.048 0.009 0.000 1.341 394 H CB 0.003 29.766 29.762 0.001 0.000 1.519 394 H HN 0.111 nan 8.280 nan 0.000 0.505 395 E N 0.336 120.580 120.200 0.072 0.000 2.239 395 E HA 0.541 4.891 4.350 -0.001 0.000 0.261 395 E C 1.364 177.987 176.600 0.039 0.000 1.016 395 E CA -0.987 55.444 56.400 0.051 0.000 0.882 395 E CB 0.560 30.275 29.700 0.026 0.000 1.190 395 E HN 0.460 nan 8.360 nan 0.000 0.415 396 G N 0.007 108.822 108.800 0.026 0.000 2.302 396 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.263 396 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.263 396 G C 0.981 175.893 174.900 0.019 0.000 0.995 396 G CA 0.894 46.004 45.100 0.017 0.000 0.622 396 G HN 0.523 nan 8.290 nan 0.000 0.538 397 E N -1.194 119.026 120.200 0.033 0.000 2.414 397 E HA 0.358 4.707 4.350 -0.001 0.000 0.208 397 E C 0.431 177.045 176.600 0.024 0.000 0.820 397 E CA 0.019 56.436 56.400 0.027 0.000 1.143 397 E CB 0.508 30.233 29.700 0.040 0.000 1.150 397 E HN 0.337 nan 8.360 nan 0.000 0.540 398 I N 0.938 121.534 120.570 0.043 0.000 2.418 398 I HA 0.613 4.783 4.170 -0.001 0.000 0.287 398 I C 0.421 176.566 176.117 0.047 0.000 1.008 398 I CA -0.444 60.878 61.300 0.037 0.000 1.104 398 I CB 0.872 38.894 38.000 0.038 0.000 1.264 398 I HN 0.131 nan 8.210 nan 0.000 0.438 399 G N 6.087 114.911 108.800 0.039 0.000 2.731 399 G HA2 0.699 4.658 3.960 -0.001 0.000 0.309 399 G HA3 0.699 4.658 3.960 -0.001 0.000 0.309 399 G C -1.612 173.312 174.900 0.039 0.000 1.273 399 G CA -0.642 44.479 45.100 0.035 0.000 0.798 399 G HN 0.428 nan 8.290 nan 0.000 0.509 400 K N -0.343 120.054 120.400 -0.006 0.000 2.397 400 K HA 0.755 5.074 4.320 -0.001 0.000 0.253 400 K C -0.489 176.083 176.600 -0.046 0.000 0.932 400 K CA -0.650 55.627 56.287 -0.016 0.000 0.795 400 K CB 2.188 34.629 32.500 -0.097 0.000 1.159 400 K HN 0.924 nan 8.250 nan 0.000 0.424 401 I N -2.296 118.262 120.570 -0.020 0.000 2.934 401 I HA 0.685 4.854 4.170 -0.001 0.000 0.306 401 I C -2.767 173.324 176.117 -0.043 0.000 1.110 401 I CA -2.975 58.306 61.300 -0.033 0.000 1.019 401 I CB 2.715 40.707 38.000 -0.013 0.000 1.227 401 I HN 0.302 nan 8.210 nan 0.000 0.434 402 P HA 0.106 nan 4.420 nan 0.000 0.268 402 P C -0.708 176.529 177.300 -0.105 0.000 1.205 402 P CA -0.215 62.835 63.100 -0.084 0.000 0.771 402 P CB 0.497 32.153 31.700 -0.074 0.000 0.858 403 L N 4.619 125.740 121.223 -0.169 0.000 2.485 403 L HA 0.113 4.453 4.340 -0.001 0.000 0.279 403 L C -0.146 176.589 176.870 -0.225 0.000 1.124 403 L CA 0.633 55.305 54.840 -0.280 0.000 0.888 403 L CB -0.855 40.974 42.059 -0.384 0.000 1.217 403 L HN 0.213 nan 8.230 nan 0.000 0.464 404 K N 6.153 126.450 120.400 -0.172 0.000 2.419 404 K HA 0.330 4.649 4.320 -0.001 0.000 0.244 404 K C -1.000 175.553 176.600 -0.078 0.000 1.045 404 K CA -0.787 55.440 56.287 -0.100 0.000 1.004 404 K CB 0.687 33.163 32.500 -0.040 0.000 1.376 404 K HN 0.373 nan 8.250 nan 0.000 0.460 405 L N 4.821 125.979 121.223 -0.109 0.000 2.515 405 L HA -0.035 4.305 4.340 -0.001 0.000 0.281 405 L C 1.092 177.964 176.870 0.003 0.000 1.131 405 L CA 0.329 55.136 54.840 -0.056 0.000 0.905 405 L CB -0.732 41.273 42.059 -0.090 0.000 1.246 405 L HN 0.609 nan 8.230 nan 0.000 0.463 406 D N 1.399 121.837 120.400 0.064 0.000 2.223 406 D HA -0.095 4.544 4.640 -0.001 0.000 0.250 406 D C 0.936 177.339 176.300 0.172 0.000 1.287 406 D CA 0.080 54.167 54.000 0.144 0.000 0.977 406 D CB 0.379 41.253 40.800 0.123 0.000 1.177 406 D HN 0.430 nan 8.370 nan 0.000 0.536 407 H N -0.700 118.352 119.070 -0.029 0.000 2.568 407 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 407 H C 2.025 177.334 175.328 -0.031 0.000 1.033 407 H CA 1.528 57.554 56.048 -0.037 0.000 1.148 407 H CB -1.135 28.608 29.762 -0.031 0.000 1.446 407 H HN 0.218 nan 8.280 nan 0.000 0.638 408 L N 0.258 121.563 121.223 0.137 0.000 2.034 408 L HA -0.255 4.084 4.340 -0.001 0.000 0.217 408 L C 2.551 179.443 176.870 0.037 0.000 1.077 408 L CA 1.969 56.844 54.840 0.058 0.000 0.769 408 L CB -1.037 41.040 42.059 0.030 0.000 0.890 408 L HN 0.153 nan 8.230 nan 0.000 0.435 409 R N 0.358 120.884 120.500 0.044 0.000 2.136 409 R HA -0.209 4.131 4.340 -0.001 0.000 0.242 409 R C 2.195 178.503 176.300 0.013 0.000 1.131 409 R CA 1.903 58.024 56.100 0.035 0.000 0.937 409 R CB -0.796 29.537 30.300 0.056 0.000 0.863 409 R HN 0.256 nan 8.270 nan 0.000 0.435 410 I N 1.249 121.818 120.570 -0.001 0.000 2.151 410 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 410 I C 2.014 178.120 176.117 -0.018 0.000 1.080 410 I CA 1.893 63.178 61.300 -0.026 0.000 1.339 410 I CB -1.095 36.871 38.000 -0.057 0.000 1.039 410 I HN 0.424 nan 8.210 nan 0.000 0.409 411 E N 0.032 120.226 120.200 -0.010 0.000 2.204 411 E HA -0.264 4.085 4.350 -0.001 0.000 0.195 411 E C 1.977 178.577 176.600 -0.000 0.000 0.990 411 E CA 1.084 57.481 56.400 -0.006 0.000 0.821 411 E CB -0.099 29.600 29.700 -0.001 0.000 0.750 411 E HN 0.590 nan 8.360 nan 0.000 0.477 412 E N 1.256 121.457 120.200 0.002 0.000 2.028 412 E HA -0.134 4.215 4.350 -0.001 0.000 0.190 412 E C 1.898 178.500 176.600 0.004 0.000 0.984 412 E CA 0.567 56.970 56.400 0.004 0.000 0.800 412 E CB 0.019 29.723 29.700 0.007 0.000 0.758 412 E HN 0.197 nan 8.360 nan 0.000 0.448 413 L N 0.738 121.960 121.223 -0.001 0.000 2.622 413 L HA 0.008 4.347 4.340 -0.001 0.000 0.233 413 L C 2.431 179.300 176.870 -0.001 0.000 1.156 413 L CA 0.298 55.135 54.840 -0.005 0.000 0.866 413 L CB -0.535 41.510 42.059 -0.025 0.000 0.980 413 L HN 0.087 nan 8.230 nan 0.000 0.448 414 K N 1.547 121.948 120.400 0.002 0.000 2.102 414 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 414 K C 1.747 178.355 176.600 0.013 0.000 1.031 414 K CA 1.094 57.385 56.287 0.007 0.000 0.962 414 K CB 0.010 32.512 32.500 0.004 0.000 0.811 414 K HN 0.304 nan 8.250 nan 0.000 0.453 415 E N 0.521 120.728 120.200 0.011 0.000 2.533 415 E HA -0.146 4.203 4.350 -0.001 0.000 0.201 415 E C 0.889 177.498 176.600 0.015 0.000 1.097 415 E CA 0.641 57.049 56.400 0.013 0.000 0.887 415 E CB -0.142 29.564 29.700 0.010 0.000 0.855 415 E HN 0.170 nan 8.360 nan 0.000 0.540 416 N N 0.311 119.020 118.700 0.016 0.000 2.368 416 N HA 0.020 4.759 4.740 -0.001 0.000 0.178 416 N C 1.106 176.633 175.510 0.028 0.000 1.076 416 N CA 1.104 54.167 53.050 0.021 0.000 0.889 416 N CB 0.882 39.380 38.487 0.019 0.000 1.040 416 N HN 0.415 nan 8.380 nan 0.000 0.463 417 G N 1.018 109.835 108.800 0.028 0.000 2.175 417 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.244 417 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.244 417 G C 0.899 175.826 174.900 0.045 0.000 0.982 417 G CA 0.294 45.416 45.100 0.037 0.000 0.641 417 G HN 0.254 nan 8.290 nan 0.000 0.527 418 I N 0.971 121.563 120.570 0.037 0.000 2.394 418 I HA 0.170 4.340 4.170 -0.001 0.000 0.251 418 I C 1.688 177.815 176.117 0.016 0.000 1.136 418 I CA 1.610 62.932 61.300 0.038 0.000 1.425 418 I CB -1.012 36.994 38.000 0.010 0.000 1.079 418 I HN 0.630 nan 8.210 nan 0.000 0.425 419 I N -1.816 118.758 120.570 0.006 0.000 2.969 419 I HA 0.514 4.683 4.170 -0.001 0.000 0.307 419 I C -1.105 175.028 176.117 0.026 0.000 1.149 419 I CA -0.941 60.360 61.300 0.002 0.000 1.008 419 I CB 3.208 41.186 38.000 -0.036 0.000 1.232 419 I HN -0.260 nan 8.210 nan 0.000 0.435 420 L N 3.769 125.020 121.223 0.046 0.000 2.372 420 L HA 0.513 4.852 4.340 -0.001 0.000 0.273 420 L C -0.945 175.964 176.870 0.065 0.000 0.989 420 L CA -0.431 54.442 54.840 0.055 0.000 0.841 420 L CB 1.565 43.664 42.059 0.067 0.000 1.225 420 L HN 0.849 nan 8.230 nan 0.000 0.414 421 K N 3.566 123.999 120.400 0.054 0.000 2.285 421 K HA 0.594 4.913 4.320 -0.001 0.000 0.286 421 K C 0.102 176.753 176.600 0.086 0.000 1.072 421 K CA 0.091 56.420 56.287 0.069 0.000 0.913 421 K CB 1.118 33.642 32.500 0.040 0.000 1.067 421 K HN 0.887 nan 8.250 nan 0.000 0.479 422 G N 3.095 111.960 108.800 0.108 0.000 3.310 422 G HA2 0.133 4.093 3.960 -0.001 0.000 0.174 422 G HA3 0.133 4.093 3.960 -0.001 0.000 0.174 422 G C -0.970 173.990 174.900 0.101 0.000 1.097 422 G CA -0.643 44.515 45.100 0.098 0.000 0.795 422 G HN 0.596 nan 8.290 nan 0.000 0.670 423 K N 0.664 121.108 120.400 0.074 0.000 2.584 423 K HA 0.016 4.335 4.320 -0.001 0.000 0.277 423 K C -0.090 176.526 176.600 0.027 0.000 0.960 423 K CA 0.926 57.240 56.287 0.044 0.000 0.975 423 K CB 0.212 32.737 32.500 0.042 0.000 0.885 423 K HN 0.357 nan 8.250 nan 0.000 0.515 424 K N 1.331 121.705 120.400 -0.043 0.000 2.303 424 K HA 0.388 4.708 4.320 -0.001 0.000 0.233 424 K C -0.871 175.668 176.600 -0.102 0.000 1.046 424 K CA -0.916 55.290 56.287 -0.136 0.000 0.895 424 K CB 1.470 33.790 32.500 -0.300 0.000 1.220 424 K HN 0.539 nan 8.250 nan 0.000 0.470 425 E N 0.327 120.442 120.200 -0.141 0.000 2.403 425 E HA 0.358 4.708 4.350 -0.001 0.000 0.280 425 E C -1.923 174.566 176.600 -0.185 0.000 1.101 425 E CA -0.562 55.767 56.400 -0.118 0.000 0.856 425 E CB 1.054 30.716 29.700 -0.062 0.000 1.303 425 E HN 0.356 nan 8.360 nan 0.000 0.441 426 I N 1.786 122.243 120.570 -0.187 0.000 2.569 426 I HA 0.549 4.718 4.170 -0.001 0.000 0.296 426 I C -0.920 175.034 176.117 -0.271 0.000 1.028 426 I CA -0.588 60.562 61.300 -0.250 0.000 1.082 426 I CB 1.708 39.600 38.000 -0.179 0.000 1.264 426 I HN 0.527 nan 8.210 nan 0.000 0.429 427 D N 5.085 125.258 120.400 -0.378 0.000 2.312 427 D HA 0.281 4.921 4.640 -0.001 0.000 0.229 427 D C 0.033 176.169 176.300 -0.273 0.000 1.337 427 D CA 0.045 53.858 54.000 -0.311 0.000 0.964 427 D CB 0.467 41.056 40.800 -0.352 0.000 1.456 427 D HN 0.581 nan 8.370 nan 0.000 0.547 428 N N 2.092 120.693 118.700 -0.166 0.000 2.984 428 N HA -0.164 4.575 4.740 -0.001 0.000 0.227 428 N C 0.934 176.369 175.510 -0.125 0.000 0.903 428 N CA 1.363 54.342 53.050 -0.118 0.000 0.995 428 N CB -0.928 37.503 38.487 -0.093 0.000 1.065 428 N HN 0.771 nan 8.380 nan 0.000 0.585 429 G N -0.424 108.278 108.800 -0.165 0.000 2.229 429 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.189 429 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.189 429 G C -0.150 174.649 174.900 -0.167 0.000 1.000 429 G CA 0.349 45.366 45.100 -0.139 0.000 0.663 429 G HN 0.379 nan 8.290 nan 0.000 0.493 430 K N 0.472 120.715 120.400 -0.261 0.000 2.221 430 K HA 0.628 4.947 4.320 -0.001 0.000 0.243 430 K C -0.243 176.110 176.600 -0.412 0.000 0.968 430 K CA -0.839 55.288 56.287 -0.268 0.000 0.846 430 K CB 1.784 34.160 32.500 -0.207 0.000 1.141 430 K HN 0.042 nan 8.250 nan 0.000 0.434 431 K N 1.614 121.884 120.400 -0.216 0.000 2.205 431 K HA 0.251 4.570 4.320 -0.001 0.000 0.279 431 K C -0.930 175.719 176.600 0.082 0.000 1.027 431 K CA -0.223 55.962 56.287 -0.170 0.000 0.932 431 K CB 0.681 33.123 32.500 -0.096 0.000 1.032 431 K HN 0.513 nan 8.250 nan 0.000 0.466 432 Y N 2.505 122.733 120.300 -0.119 0.000 2.349 432 Y HA 0.185 4.734 4.550 -0.001 0.000 0.324 432 Y C -0.784 175.089 175.900 -0.045 0.000 1.005 432 Y CA -1.387 56.679 58.100 -0.057 0.000 1.240 432 Y CB 1.051 39.405 38.460 -0.177 0.000 1.117 432 Y HN 0.466 nan 8.280 nan 0.000 0.463 433 Y N 3.191 123.545 120.300 0.090 0.000 2.377 433 Y HA 0.065 4.614 4.550 -0.001 0.000 0.330 433 Y C 0.198 176.124 175.900 0.044 0.000 1.108 433 Y CA -0.865 57.264 58.100 0.048 0.000 1.308 433 Y CB 0.453 38.927 38.460 0.023 0.000 1.216 433 Y HN 0.376 nan 8.280 nan 0.000 0.518 434 L N 5.648 126.973 121.223 0.171 0.000 2.313 434 L HA 0.286 4.626 4.340 -0.001 0.000 0.282 434 L C -0.759 176.219 176.870 0.179 0.000 1.092 434 L CA -0.143 54.787 54.840 0.150 0.000 0.831 434 L CB -0.044 42.098 42.059 0.138 0.000 1.159 434 L HN 0.627 nan 8.230 nan 0.000 0.442 435 L N 4.626 125.968 121.223 0.199 0.000 2.276 435 L HA 0.275 4.615 4.340 -0.001 0.000 0.286 435 L C 0.134 177.145 176.870 0.235 0.000 1.061 435 L CA -0.430 54.515 54.840 0.177 0.000 0.807 435 L CB 1.532 43.663 42.059 0.121 0.000 1.177 435 L HN 0.607 nan 8.230 nan 0.000 0.429 436 E N 2.502 122.810 120.200 0.179 0.000 2.242 436 E HA 0.525 4.874 4.350 -0.001 0.000 0.275 436 E C -0.993 175.707 176.600 0.167 0.000 1.002 436 E CA -0.199 56.319 56.400 0.197 0.000 0.841 436 E CB 1.667 31.458 29.700 0.153 0.000 1.109 436 E HN 0.424 nan 8.360 nan 0.000 0.394 437 S N 2.844 118.675 115.700 0.218 0.000 2.563 437 S HA 0.205 4.675 4.470 -0.001 0.000 0.279 437 S C -0.165 174.578 174.600 0.237 0.000 1.155 437 S CA -0.664 57.658 58.200 0.203 0.000 0.928 437 S CB 0.540 63.848 63.200 0.180 0.000 1.107 437 S HN 0.715 nan 8.310 nan 0.000 0.462 438 N N 2.805 121.611 118.700 0.176 0.000 2.696 438 N HA -0.104 4.635 4.740 -0.001 0.000 0.196 438 N C 0.478 176.064 175.510 0.126 0.000 1.220 438 N CA 0.065 53.195 53.050 0.132 0.000 0.940 438 N CB -0.108 38.429 38.487 0.083 0.000 0.999 438 N HN 0.548 nan 8.380 nan 0.000 0.447 439 N N 1.628 120.458 118.700 0.217 0.000 2.458 439 N HA -0.104 4.635 4.740 -0.001 0.000 0.258 439 N C 0.280 175.876 175.510 0.144 0.000 1.219 439 N CA 0.366 53.504 53.050 0.147 0.000 0.902 439 N CB 0.796 39.543 38.487 0.433 0.000 1.076 439 N HN 0.335 nan 8.380 nan 0.000 0.455 440 Q N 1.612 121.450 119.800 0.063 0.000 2.201 440 Q HA 0.245 4.585 4.340 -0.001 0.000 0.217 440 Q C 0.111 176.140 176.000 0.049 0.000 0.860 440 Q CA -0.292 55.546 55.803 0.058 0.000 0.984 440 Q CB 0.533 29.285 28.738 0.024 0.000 1.095 440 Q HN 0.360 nan 8.270 nan 0.000 0.477 441 V N -1.368 118.585 119.914 0.065 0.000 3.245 441 V HA 0.188 4.307 4.120 -0.001 0.000 0.246 441 V C -0.015 176.235 176.094 0.259 0.000 1.487 441 V CA 0.019 62.365 62.300 0.078 0.000 1.154 441 V CB 0.379 32.191 31.823 -0.017 0.000 0.971 441 V HN 0.353 nan 8.190 nan 0.000 0.443 442 Y N 1.102 121.416 120.300 0.022 0.000 2.420 442 Y HA 0.648 5.197 4.550 -0.001 0.000 0.334 442 Y C 0.177 175.929 175.900 -0.247 0.000 1.094 442 Y CA -0.917 57.075 58.100 -0.181 0.000 1.126 442 Y CB 1.675 40.106 38.460 -0.048 0.000 1.217 442 Y HN 0.192 nan 8.280 nan 0.000 0.462 443 E N 2.011 121.957 120.200 -0.425 0.000 2.299 443 E HA 0.536 4.886 4.350 -0.001 0.000 0.265 443 E C -1.795 174.492 176.600 -0.521 0.000 0.911 443 E CA -0.872 55.394 56.400 -0.223 0.000 0.789 443 E CB 2.551 32.184 29.700 -0.111 0.000 1.246 443 E HN 0.339 nan 8.360 nan 0.000 0.427 444 F N 0.577 120.728 119.950 0.335 0.000 2.588 444 F HA 0.490 5.016 4.527 -0.001 0.000 0.310 444 F C -0.220 175.834 175.800 0.423 0.000 1.082 444 F CA -1.026 57.222 58.000 0.414 0.000 0.929 444 F CB 1.825 40.949 39.000 0.207 0.000 1.254 444 F HN 0.341 nan 8.300 nan 0.000 0.455 445 R N 2.490 123.283 120.500 0.489 0.000 2.698 445 R HA 0.806 5.145 4.340 -0.001 0.000 0.275 445 R C -2.116 174.122 176.300 -0.103 0.000 1.001 445 R CA -0.815 55.314 56.100 0.050 0.000 0.896 445 R CB 2.723 32.778 30.300 -0.409 0.000 1.218 445 R HN 0.850 nan 8.270 nan 0.000 0.462 446 I N 2.349 122.859 120.570 -0.100 0.000 2.389 446 I HA 0.235 4.404 4.170 -0.001 0.000 0.288 446 I C 0.022 176.073 176.117 -0.110 0.000 0.999 446 I CA -0.467 60.758 61.300 -0.125 0.000 1.129 446 I CB 2.066 40.034 38.000 -0.055 0.000 1.288 446 I HN 0.952 nan 8.210 nan 0.000 0.444 447 S N 4.829 120.412 115.700 -0.194 0.000 2.572 447 S HA -0.055 4.415 4.470 -0.001 0.000 0.262 447 S C 0.636 175.325 174.600 0.149 0.000 1.375 447 S CA 0.468 58.702 58.200 0.058 0.000 0.996 447 S CB 0.821 64.052 63.200 0.053 0.000 0.892 447 S HN 0.870 nan 8.310 nan 0.000 0.562 448 D N 0.018 120.548 120.400 0.217 0.000 2.725 448 D HA 0.030 4.670 4.640 -0.001 0.000 0.269 448 D C 1.738 178.084 176.300 0.077 0.000 1.018 448 D CA 0.718 54.813 54.000 0.158 0.000 0.956 448 D CB -0.480 40.461 40.800 0.235 0.000 1.141 448 D HN 0.785 nan 8.370 nan 0.000 0.478 449 E N 0.498 120.745 120.200 0.079 0.000 2.037 449 E HA -0.209 4.141 4.350 -0.001 0.000 0.214 449 E C 0.095 176.713 176.600 0.030 0.000 1.041 449 E CA 1.347 57.774 56.400 0.045 0.000 0.872 449 E CB -0.116 29.610 29.700 0.043 0.000 0.785 449 E HN 0.290 nan 8.360 nan 0.000 0.476 450 N N 0.629 119.347 118.700 0.031 0.000 2.405 450 N HA 0.065 4.805 4.740 -0.001 0.000 0.299 450 N C -1.043 174.468 175.510 0.001 0.000 1.075 450 N CA -0.503 52.555 53.050 0.013 0.000 0.884 450 N CB 0.843 39.334 38.487 0.007 0.000 1.194 450 N HN 0.073 nan 8.380 nan 0.000 0.491 451 N N -0.078 118.611 118.700 -0.018 0.000 2.441 451 N HA 0.004 4.744 4.740 -0.001 0.000 0.225 451 N C -0.160 175.312 175.510 -0.063 0.000 1.208 451 N CA -0.186 52.837 53.050 -0.045 0.000 0.847 451 N CB -0.048 38.402 38.487 -0.060 0.000 1.121 451 N HN 0.618 nan 8.380 nan 0.000 0.479 452 E N -0.104 120.060 120.200 -0.061 0.000 2.563 452 E HA 0.171 4.520 4.350 -0.001 0.000 0.260 452 E C -0.289 176.241 176.600 -0.117 0.000 1.391 452 E CA 0.149 56.497 56.400 -0.087 0.000 1.079 452 E CB 0.609 30.266 29.700 -0.073 0.000 0.984 452 E HN -0.058 nan 8.360 nan 0.000 0.563 453 V N -0.017 119.824 119.914 -0.122 0.000 3.049 453 V HA 0.301 4.421 4.120 -0.001 0.000 0.309 453 V C -0.907 175.156 176.094 -0.052 0.000 1.148 453 V CA -0.787 61.456 62.300 -0.096 0.000 0.990 453 V CB 2.130 33.891 31.823 -0.104 0.000 1.039 453 V HN 0.620 nan 8.190 nan 0.000 0.430 454 Q N 1.889 121.734 119.800 0.074 0.000 2.511 454 Q HA 0.693 5.033 4.340 -0.001 0.000 0.289 454 Q C -1.785 174.491 176.000 0.461 0.000 1.021 454 Q CA -0.859 55.072 55.803 0.215 0.000 0.785 454 Q CB 3.290 32.177 28.738 0.247 0.000 1.472 454 Q HN 0.880 nan 8.270 nan 0.000 0.411 455 Y N -1.524 118.776 120.300 0.000 0.000 2.728 455 Y HA 0.843 5.393 4.550 -0.001 0.000 0.330 455 Y C -1.681 173.767 175.900 -0.755 0.000 1.234 455 Y CA -1.364 56.400 58.100 -0.560 0.000 1.070 455 Y CB 1.845 39.831 38.460 -0.791 0.000 1.300 455 Y HN 0.708 nan 8.280 nan 0.000 0.467 456 K N -0.820 118.987 120.400 -0.989 0.000 2.685 456 K HA 0.352 4.671 4.320 -0.001 0.000 0.290 456 K C -1.560 174.679 176.600 -0.601 0.000 1.018 456 K CA -0.748 55.086 56.287 -0.755 0.000 0.860 456 K CB 1.453 33.354 32.500 -0.998 0.000 1.498 456 K HN 0.763 nan 8.250 nan 0.000 0.390 457 T N -0.450 113.856 114.554 -0.414 0.000 2.814 457 T HA 0.234 4.584 4.350 -0.001 0.000 0.297 457 T C 0.012 174.589 174.700 -0.205 0.000 0.956 457 T CA -0.718 61.197 62.100 -0.307 0.000 1.123 457 T CB 0.488 69.141 68.868 -0.358 0.000 0.902 457 T HN 0.505 nan 8.240 nan 0.000 0.528 458 K N 2.626 122.959 120.400 -0.112 0.000 2.542 458 K HA -0.053 4.266 4.320 -0.001 0.000 0.276 458 K C 1.223 177.785 176.600 -0.063 0.000 0.963 458 K CA 0.249 56.492 56.287 -0.073 0.000 0.975 458 K CB 0.311 32.803 32.500 -0.013 0.000 0.901 458 K HN 0.748 nan 8.250 nan 0.000 0.506 459 E N 0.354 120.531 120.200 -0.039 0.000 2.510 459 E HA -0.096 4.253 4.350 -0.001 0.000 0.202 459 E C 0.744 177.332 176.600 -0.020 0.000 1.072 459 E CA 0.395 56.779 56.400 -0.026 0.000 0.883 459 E CB 0.103 29.802 29.700 -0.002 0.000 0.818 459 E HN 0.693 nan 8.360 nan 0.000 0.548 460 G N 0.545 109.333 108.800 -0.019 0.000 4.683 460 G HA2 0.224 4.184 3.960 -0.001 0.000 0.273 460 G HA3 0.224 4.184 3.960 -0.001 0.000 0.273 460 G C -0.253 174.634 174.900 -0.021 0.000 1.065 460 G CA -0.315 44.776 45.100 -0.016 0.000 0.837 460 G HN -0.129 nan 8.290 nan 0.000 0.526 461 K N -0.260 120.121 120.400 -0.033 0.000 2.556 461 K HA 0.736 5.055 4.320 -0.001 0.000 0.289 461 K C -1.749 174.818 176.600 -0.056 0.000 1.040 461 K CA -0.656 55.610 56.287 -0.035 0.000 0.894 461 K CB 1.725 34.213 32.500 -0.019 0.000 1.547 461 K HN 0.024 nan 8.250 nan 0.000 0.417 462 I N -0.637 119.900 120.570 -0.055 0.000 3.279 462 I HA 0.487 4.656 4.170 -0.001 0.000 0.315 462 I C -0.985 175.102 176.117 -0.050 0.000 1.187 462 I CA -0.703 60.549 61.300 -0.080 0.000 0.953 462 I CB 2.523 40.476 38.000 -0.078 0.000 1.279 462 I HN 0.554 nan 8.210 nan 0.000 0.465 463 T N 2.967 117.475 114.554 -0.077 0.000 2.856 463 T HA 0.186 4.535 4.350 -0.001 0.000 0.292 463 T C 1.371 176.051 174.700 -0.034 0.000 0.980 463 T CA -0.322 61.775 62.100 -0.006 0.000 1.091 463 T CB 1.462 70.285 68.868 -0.074 0.000 0.936 463 T HN 0.490 nan 8.240 nan 0.000 0.503 464 V N 2.744 122.635 119.914 -0.038 0.000 2.278 464 V HA -0.179 3.940 4.120 -0.001 0.000 0.251 464 V C 2.127 178.199 176.094 -0.036 0.000 1.062 464 V CA 1.648 63.910 62.300 -0.062 0.000 1.038 464 V CB -1.152 30.613 31.823 -0.096 0.000 0.646 464 V HN 0.683 nan 8.190 nan 0.000 0.447 465 L N 1.722 122.938 121.223 -0.011 0.000 2.265 465 L HA 0.262 4.602 4.340 -0.001 0.000 0.215 465 L C 1.872 178.732 176.870 -0.017 0.000 1.117 465 L CA 1.816 56.654 54.840 -0.004 0.000 0.782 465 L CB -1.207 40.865 42.059 0.021 0.000 0.914 465 L HN 0.842 nan 8.230 nan 0.000 0.441 466 G N -0.729 108.050 108.800 -0.035 0.000 2.237 466 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.153 466 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.153 466 G C -0.084 174.778 174.900 -0.065 0.000 1.039 466 G CA -0.469 44.603 45.100 -0.046 0.000 0.719 466 G HN 0.346 nan 8.290 nan 0.000 0.491 467 E N -0.222 119.912 120.200 -0.110 0.000 2.227 467 E HA 0.690 5.039 4.350 -0.001 0.000 0.268 467 E C -0.242 176.164 176.600 -0.322 0.000 0.907 467 E CA -0.958 55.334 56.400 -0.180 0.000 0.786 467 E CB 2.142 31.729 29.700 -0.189 0.000 1.191 467 E HN 0.164 nan 8.360 nan 0.000 0.411 468 K N 3.216 123.426 120.400 -0.317 0.000 2.637 468 K HA 0.328 4.648 4.320 -0.001 0.000 0.248 468 K C -1.827 174.629 176.600 -0.239 0.000 0.971 468 K CA -0.548 55.532 56.287 -0.344 0.000 0.858 468 K CB 0.576 32.973 32.500 -0.172 0.000 1.170 468 K HN 0.416 nan 8.250 nan 0.000 0.443 469 F N 0.332 120.149 119.950 -0.221 0.000 2.599 469 F HA 0.556 5.082 4.527 -0.001 0.000 0.311 469 F C -0.574 175.043 175.800 -0.305 0.000 1.076 469 F CA -1.497 56.367 58.000 -0.226 0.000 0.937 469 F CB 0.483 39.356 39.000 -0.213 0.000 1.282 469 F HN 0.235 nan 8.300 nan 0.000 0.460 470 N N 0.002 118.748 118.700 0.076 0.000 2.434 470 N HA 0.114 4.854 4.740 -0.001 0.000 0.266 470 N C -0.954 174.473 175.510 -0.138 0.000 1.223 470 N CA -0.265 52.743 53.050 -0.069 0.000 0.972 470 N CB 0.507 39.017 38.487 0.040 0.000 1.207 470 N HN 0.736 nan 8.380 nan 0.000 0.525 471 W N 1.481 122.752 121.300 -0.048 0.000 2.571 471 W HA -0.123 4.536 4.660 -0.001 0.000 0.351 471 W C 0.810 177.262 176.519 -0.111 0.000 1.106 471 W CA 0.473 57.778 57.345 -0.068 0.000 1.158 471 W CB -0.284 29.173 29.460 -0.005 0.000 1.161 471 W HN 0.096 nan 8.180 nan 0.000 0.578 472 R N 2.603 123.128 120.500 0.042 0.000 2.744 472 R HA 0.289 4.628 4.340 -0.001 0.000 0.279 472 R C -0.279 176.042 176.300 0.036 0.000 0.977 472 R CA -1.438 54.638 56.100 -0.041 0.000 0.906 472 R CB 1.434 31.565 30.300 -0.281 0.000 1.197 472 R HN 0.288 nan 8.270 nan 0.000 0.463 473 N N 1.090 119.775 118.700 -0.025 0.000 2.444 473 N HA 0.162 4.902 4.740 -0.001 0.000 0.255 473 N C -0.409 175.011 175.510 -0.149 0.000 1.255 473 N CA -0.050 52.962 53.050 -0.063 0.000 0.933 473 N CB 0.616 39.062 38.487 -0.069 0.000 1.143 473 N HN 0.381 nan 8.380 nan 0.000 0.453 474 I N 1.265 121.713 120.570 -0.203 0.000 2.291 474 I HA 0.095 4.265 4.170 -0.001 0.000 0.290 474 I C -0.079 175.927 176.117 -0.184 0.000 1.050 474 I CA -0.393 60.729 61.300 -0.297 0.000 1.245 474 I CB 0.309 38.110 38.000 -0.331 0.000 1.405 474 I HN 0.435 nan 8.210 nan 0.000 0.478 475 E N 5.441 125.569 120.200 -0.120 0.000 2.283 475 E HA 0.537 4.886 4.350 -0.001 0.000 0.271 475 E C -0.626 175.982 176.600 0.014 0.000 1.031 475 E CA -0.570 55.791 56.400 -0.066 0.000 0.868 475 E CB 1.811 31.455 29.700 -0.094 0.000 1.094 475 E HN 0.384 nan 8.360 nan 0.000 0.401 476 V N -1.722 118.215 119.914 0.040 0.000 3.102 476 V HA 0.533 4.652 4.120 -0.001 0.000 0.312 476 V C -0.329 175.845 176.094 0.133 0.000 1.135 476 V CA -1.377 60.992 62.300 0.114 0.000 1.022 476 V CB 1.691 33.604 31.823 0.150 0.000 1.056 476 V HN 0.507 nan 8.190 nan 0.000 0.436 477 M N 1.974 121.662 119.600 0.148 0.000 2.243 477 M HA 0.737 5.216 4.480 -0.001 0.000 0.341 477 M C 0.048 176.395 176.300 0.079 0.000 1.130 477 M CA 0.220 55.589 55.300 0.116 0.000 1.162 477 M CB 0.612 33.268 32.600 0.094 0.000 1.497 477 M HN 1.200 nan 8.290 nan 0.000 0.456 478 A N 3.067 125.918 122.820 0.052 0.000 2.517 478 A HA 0.652 4.972 4.320 -0.001 0.000 0.297 478 A C -0.717 176.873 177.584 0.011 0.000 1.050 478 A CA -1.025 51.030 52.037 0.030 0.000 0.694 478 A CB 1.489 20.508 19.000 0.033 0.000 1.277 478 A HN 0.814 nan 8.150 nan 0.000 0.400 479 K N 1.083 121.480 120.400 -0.005 0.000 2.106 479 K HA 0.563 4.883 4.320 -0.001 0.000 0.246 479 K C 0.051 176.643 176.600 -0.013 0.000 0.987 479 K CA -0.647 55.633 56.287 -0.013 0.000 0.904 479 K CB 0.886 33.369 32.500 -0.029 0.000 1.071 479 K HN 0.629 nan 8.250 nan 0.000 0.453 480 N N -0.050 118.643 118.700 -0.011 0.000 2.479 480 N HA 0.169 4.909 4.740 -0.001 0.000 0.257 480 N C -1.281 174.215 175.510 -0.024 0.000 1.232 480 N CA -0.484 52.559 53.050 -0.013 0.000 0.920 480 N CB 0.576 39.060 38.487 -0.005 0.000 1.105 480 N HN 0.368 nan 8.380 nan 0.000 0.444 481 V N 2.343 122.239 119.914 -0.030 0.000 2.818 481 V HA 0.223 4.342 4.120 -0.001 0.000 0.256 481 V C -0.890 175.180 176.094 -0.042 0.000 0.925 481 V CA -0.700 61.574 62.300 -0.043 0.000 0.908 481 V CB 0.857 32.642 31.823 -0.064 0.000 1.052 481 V HN 0.878 nan 8.190 nan 0.000 0.498 482 E N 1.756 121.937 120.200 -0.031 0.000 2.442 482 E HA -0.202 4.147 4.350 -0.001 0.000 0.256 482 E C 1.049 177.636 176.600 -0.023 0.000 1.095 482 E CA 1.126 57.510 56.400 -0.027 0.000 0.747 482 E CB -1.360 28.319 29.700 -0.034 0.000 1.310 482 E HN 2.006 nan 8.360 nan 0.000 0.396 483 G N -0.801 107.988 108.800 -0.018 0.000 2.333 483 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.296 483 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.296 483 G C 0.149 175.039 174.900 -0.017 0.000 1.059 483 G CA 0.287 45.378 45.100 -0.015 0.000 1.050 483 G HN 0.973 nan 8.290 nan 0.000 0.508 484 V N -2.219 117.683 119.914 -0.020 0.000 2.735 484 V HA 0.400 4.519 4.120 -0.001 0.000 0.276 484 V C 0.254 176.336 176.094 -0.020 0.000 1.083 484 V CA -1.342 60.946 62.300 -0.021 0.000 0.923 484 V CB 1.222 33.029 31.823 -0.027 0.000 1.053 484 V HN 0.305 nan 8.190 nan 0.000 0.471 485 L N 3.994 125.209 121.223 -0.013 0.000 2.827 485 L HA 0.108 4.447 4.340 -0.001 0.000 0.293 485 L C 0.867 177.734 176.870 -0.005 0.000 1.156 485 L CA 1.231 56.066 54.840 -0.008 0.000 1.145 485 L CB -0.741 41.315 42.059 -0.006 0.000 1.474 485 L HN 0.582 nan 8.230 nan 0.000 0.442 486 K N 5.691 126.086 120.400 -0.010 0.000 2.174 486 K HA 0.360 4.679 4.320 -0.001 0.000 0.275 486 K C -2.103 174.507 176.600 0.015 0.000 1.015 486 K CA -1.705 54.579 56.287 -0.005 0.000 0.933 486 K CB 0.823 33.304 32.500 -0.032 0.000 1.025 486 K HN 0.220 nan 8.250 nan 0.000 0.463 487 P HA -0.001 nan 4.420 nan 0.000 0.270 487 P C -0.814 176.495 177.300 0.015 0.000 1.223 487 P CA 0.164 63.321 63.100 0.096 0.000 0.785 487 P CB 0.696 32.547 31.700 0.253 0.000 0.923 488 L N 0.739 121.966 121.223 0.007 0.000 2.334 488 L HA 0.605 4.945 4.340 -0.001 0.000 0.276 488 L C 0.830 177.615 176.870 -0.143 0.000 1.014 488 L CA -0.393 54.412 54.840 -0.059 0.000 0.815 488 L CB 2.045 44.090 42.059 -0.023 0.000 1.268 488 L HN 0.412 nan 8.230 nan 0.000 0.428 489 T N 0.870 115.332 114.554 -0.154 0.000 2.865 489 T HA 0.680 5.029 4.350 -0.001 0.000 0.294 489 T C -0.441 174.204 174.700 -0.092 0.000 1.119 489 T CA -0.183 61.815 62.100 -0.170 0.000 1.007 489 T CB 1.714 70.430 68.868 -0.254 0.000 1.225 489 T HN 0.713 nan 8.240 nan 0.000 0.515 490 A N 2.444 125.231 122.820 -0.056 0.000 2.613 490 A HA 0.378 4.697 4.320 -0.001 0.000 0.230 490 A C 0.373 177.941 177.584 -0.026 0.000 1.051 490 A CA 0.490 52.524 52.037 -0.006 0.000 0.754 490 A CB -0.329 18.691 19.000 0.032 0.000 0.979 490 A HN 0.846 nan 8.150 nan 0.000 0.510 491 D N -0.540 119.866 120.400 0.010 0.000 0.000 491 D HA 0.363 5.002 4.640 -0.001 0.000 0.000 491 D C -1.136 175.273 176.300 0.181 0.000 0.000 491 D CA -0.572 53.401 54.000 -0.046 0.000 0.000 491 D CB 0.232 40.972 40.800 -0.100 0.000 0.000 491 D HN 0.330 nan 8.370 nan 0.000 0.000 492 Y N 0.509 120.829 120.300 0.033 0.000 2.650 492 Y HA 0.217 4.766 4.550 -0.001 0.000 0.343 492 Y C -0.161 175.829 175.900 0.150 0.000 1.078 492 Y CA -0.905 57.307 58.100 0.186 0.000 1.356 492 Y CB -0.427 38.225 38.460 0.319 0.000 1.204 492 Y HN 0.070 nan 8.280 nan 0.000 0.508 493 D N 4.071 124.672 120.400 0.335 0.000 2.374 493 D HA 0.129 4.768 4.640 -0.001 0.000 0.240 493 D C 0.298 176.707 176.300 0.182 0.000 1.229 493 D CA 0.043 54.212 54.000 0.281 0.000 0.895 493 D CB 0.741 41.728 40.800 0.312 0.000 1.046 493 D HN 0.420 nan 8.370 nan 0.000 0.498 494 L N 2.223 123.442 121.223 -0.008 0.000 2.490 494 L HA -0.046 4.293 4.340 -0.001 0.000 0.274 494 L C 1.397 178.267 176.870 0.001 0.000 1.201 494 L CA -0.192 54.492 54.840 -0.261 0.000 0.869 494 L CB 0.437 42.296 42.059 -0.334 0.000 1.123 494 L HN 0.385 nan 8.230 nan 0.000 0.484 495 F N 3.341 123.226 119.950 -0.110 0.000 2.473 495 F HA 0.421 4.948 4.527 -0.001 0.000 0.294 495 F C 0.712 176.503 175.800 -0.014 0.000 1.103 495 F CA 0.351 58.361 58.000 0.016 0.000 1.442 495 F CB 0.344 39.404 39.000 0.100 0.000 1.097 495 F HN 0.454 nan 8.300 nan 0.000 0.547 496 A N 0.058 123.047 122.820 0.282 0.000 2.569 496 A HA 0.552 4.871 4.320 -0.001 0.000 0.292 496 A C -2.054 175.599 177.584 0.116 0.000 1.032 496 A CA -0.681 51.459 52.037 0.171 0.000 0.669 496 A CB 0.337 19.625 19.000 0.480 0.000 1.290 496 A HN 0.108 nan 8.150 nan 0.000 0.422 497 L N 0.920 122.210 121.223 0.112 0.000 2.376 497 L HA 0.699 5.038 4.340 -0.001 0.000 0.275 497 L C 0.208 177.331 176.870 0.422 0.000 0.987 497 L CA -0.636 54.363 54.840 0.266 0.000 0.828 497 L CB 2.070 44.292 42.059 0.273 0.000 1.249 497 L HN 1.024 nan 8.230 nan 0.000 0.409 498 A N 5.637 128.698 122.820 0.401 0.000 2.801 498 A HA 0.587 4.907 4.320 -0.001 0.000 0.344 498 A C -2.483 175.300 177.584 0.331 0.000 1.322 498 A CA -1.394 50.871 52.037 0.380 0.000 0.913 498 A CB -0.171 19.040 19.000 0.351 0.000 1.140 498 A HN 0.302 nan 8.150 nan 0.000 0.487 499 P HA 0.152 nan 4.420 nan 0.000 0.274 499 P C 0.268 177.441 177.300 -0.211 0.000 1.231 499 P CA 0.121 63.111 63.100 -0.183 0.000 0.790 499 P CB 1.367 32.634 31.700 -0.721 0.000 0.951 500 S N 2.260 117.726 115.700 -0.390 0.000 2.580 500 S HA 0.112 4.581 4.470 -0.001 0.000 0.274 500 S C 1.544 175.917 174.600 -0.379 0.000 1.329 500 S CA -0.511 57.274 58.200 -0.692 0.000 1.036 500 S CB -0.052 62.645 63.200 -0.839 0.000 0.919 500 S HN 0.367 nan 8.310 nan 0.000 0.515 501 L N 2.743 123.798 121.223 -0.280 0.000 2.081 501 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 501 L C 2.992 179.756 176.870 -0.177 0.000 1.080 501 L CA 2.177 56.917 54.840 -0.166 0.000 0.754 501 L CB -1.005 41.006 42.059 -0.081 0.000 0.893 501 L HN 1.058 nan 8.230 nan 0.000 0.433 502 T N -3.937 110.499 114.554 -0.197 0.000 2.788 502 T HA -0.247 4.102 4.350 -0.001 0.000 0.268 502 T C 1.677 176.265 174.700 -0.186 0.000 1.044 502 T CA 1.333 63.328 62.100 -0.175 0.000 1.139 502 T CB -0.313 68.462 68.868 -0.156 0.000 0.867 502 T HN 0.200 nan 8.240 nan 0.000 0.454 503 E N 0.777 120.850 120.200 -0.212 0.000 2.268 503 E HA 0.039 4.388 4.350 -0.001 0.000 0.195 503 E C 1.618 178.091 176.600 -0.212 0.000 0.995 503 E CA 0.395 56.677 56.400 -0.197 0.000 0.836 503 E CB -0.473 29.103 29.700 -0.207 0.000 0.763 503 E HN 0.547 nan 8.360 nan 0.000 0.491 504 I N 0.248 120.677 120.570 -0.234 0.000 2.584 504 I HA -0.087 4.082 4.170 -0.001 0.000 0.255 504 I C 1.984 178.010 176.117 -0.152 0.000 1.145 504 I CA 0.708 61.882 61.300 -0.210 0.000 1.462 504 I CB -0.248 37.633 38.000 -0.198 0.000 1.102 504 I HN -0.023 nan 8.210 nan 0.000 0.433 505 K N 1.667 121.960 120.400 -0.177 0.000 2.147 505 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 505 K C 1.800 178.250 176.600 -0.250 0.000 1.049 505 K CA 1.676 57.818 56.287 -0.242 0.000 0.936 505 K CB -0.200 32.116 32.500 -0.307 0.000 0.722 505 K HN 0.226 nan 8.250 nan 0.000 0.446 506 K N -0.189 120.092 120.400 -0.200 0.000 2.283 506 K HA -0.133 4.187 4.320 -0.001 0.000 0.202 506 K C 2.124 178.630 176.600 -0.156 0.000 1.048 506 K CA 1.204 57.391 56.287 -0.167 0.000 0.948 506 K CB -0.038 32.386 32.500 -0.127 0.000 0.742 506 K HN 0.170 nan 8.250 nan 0.000 0.458 507 Q N 1.186 120.893 119.800 -0.154 0.000 2.230 507 Q HA 0.027 4.366 4.340 -0.001 0.000 0.202 507 Q C 0.217 176.029 176.000 -0.313 0.000 0.963 507 Q CA 0.725 56.444 55.803 -0.139 0.000 0.866 507 Q CB 0.195 28.898 28.738 -0.057 0.000 0.931 507 Q HN 0.217 nan 8.270 nan 0.000 0.452 508 I N 3.249 123.608 120.570 -0.351 0.000 2.529 508 I HA 0.170 4.340 4.170 -0.001 0.000 0.284 508 I C -1.952 173.936 176.117 -0.382 0.000 1.082 508 I CA -2.071 58.891 61.300 -0.564 0.000 1.406 508 I CB 0.939 38.828 38.000 -0.187 0.000 1.405 508 I HN 0.124 nan 8.210 nan 0.000 0.548 509 P HA 0.074 nan 4.420 nan 0.000 0.284 509 P C 0.154 177.439 177.300 -0.026 0.000 1.343 509 P CA -0.353 62.652 63.100 -0.158 0.000 0.826 509 P CB 1.283 32.913 31.700 -0.117 0.000 0.956 510 Q N 3.516 123.300 119.800 -0.025 0.000 2.208 510 Q HA -0.258 4.081 4.340 -0.001 0.000 0.219 510 Q C 1.800 177.865 176.000 0.108 0.000 1.027 510 Q CA 2.511 58.336 55.803 0.037 0.000 0.925 510 Q CB -0.390 28.352 28.738 0.007 0.000 1.006 510 Q HN 0.643 nan 8.270 nan 0.000 0.415 511 K N 0.118 120.565 120.400 0.078 0.000 2.009 511 K HA -0.150 4.169 4.320 -0.001 0.000 0.210 511 K C 1.908 178.580 176.600 0.120 0.000 1.049 511 K CA 1.478 57.818 56.287 0.088 0.000 0.929 511 K CB -0.440 32.097 32.500 0.062 0.000 0.714 511 K HN 0.248 nan 8.250 nan 0.000 0.440 512 E N 0.595 120.879 120.200 0.141 0.000 2.033 512 E HA -0.230 4.119 4.350 -0.001 0.000 0.199 512 E C 1.946 178.664 176.600 0.196 0.000 1.011 512 E CA 1.685 58.187 56.400 0.170 0.000 0.815 512 E CB -0.375 29.473 29.700 0.246 0.000 0.755 512 E HN 0.426 nan 8.360 nan 0.000 0.451 513 W N 2.300 123.635 121.300 0.058 0.000 2.304 513 W HA -0.256 4.403 4.660 -0.001 0.000 0.315 513 W C 1.833 178.370 176.519 0.030 0.000 1.233 513 W CA 2.228 59.600 57.345 0.046 0.000 1.261 513 W CB -0.358 29.116 29.460 0.025 0.000 1.150 513 W HN 0.080 nan 8.180 nan 0.000 0.494 514 D N -0.287 120.287 120.400 0.290 0.000 2.108 514 D HA -0.283 4.357 4.640 -0.001 0.000 0.190 514 D C 2.002 178.312 176.300 0.017 0.000 0.995 514 D CA 2.092 56.184 54.000 0.153 0.000 0.834 514 D CB -0.830 40.054 40.800 0.140 0.000 0.967 514 D HN 0.065 nan 8.370 nan 0.000 0.446 515 K N 0.369 120.789 120.400 0.032 0.000 2.366 515 K HA -0.156 4.164 4.320 -0.001 0.000 0.202 515 K C 1.416 177.985 176.600 -0.052 0.000 1.045 515 K CA 0.815 57.102 56.287 -0.000 0.000 0.934 515 K CB 0.120 32.633 32.500 0.022 0.000 0.746 515 K HN 0.078 nan 8.250 nan 0.000 0.470 516 V N 0.086 119.931 119.914 -0.116 0.000 2.672 516 V HA -0.125 3.995 4.120 -0.001 0.000 0.242 516 V C 2.143 178.079 176.094 -0.263 0.000 1.059 516 V CA 1.100 63.285 62.300 -0.191 0.000 1.081 516 V CB 0.476 32.146 31.823 -0.255 0.000 0.752 516 V HN 0.320 nan 8.190 nan 0.000 0.472 517 V N -0.882 118.799 119.914 -0.388 0.000 2.667 517 V HA -0.004 4.115 4.120 -0.001 0.000 0.252 517 V C 1.039 177.028 176.094 -0.175 0.000 1.065 517 V CA 1.512 63.589 62.300 -0.371 0.000 1.083 517 V CB -1.294 30.200 31.823 -0.547 0.000 0.692 517 V HN 0.652 nan 8.190 nan 0.000 0.468 518 N N 1.636 120.266 118.700 -0.116 0.000 3.243 518 N HA 0.204 4.944 4.740 -0.001 0.000 0.310 518 N C -0.027 175.449 175.510 -0.056 0.000 1.313 518 N CA 0.200 53.216 53.050 -0.057 0.000 1.204 518 N CB 0.183 38.654 38.487 -0.025 0.000 1.483 518 N HN 0.562 nan 8.380 nan 0.000 0.553 519 T N -0.389 114.123 114.554 -0.069 0.000 2.916 519 T HA 0.392 4.741 4.350 -0.001 0.000 0.292 519 T C -1.514 173.159 174.700 -0.044 0.000 1.064 519 T CA -1.816 60.250 62.100 -0.057 0.000 1.011 519 T CB 1.649 70.472 68.868 -0.075 0.000 1.152 519 T HN 0.060 nan 8.240 nan 0.000 0.510 520 P HA 0.129 nan 4.420 nan 0.000 0.218 520 P C 0.208 177.493 177.300 -0.026 0.000 1.151 520 P CA 0.094 63.180 63.100 -0.024 0.000 0.850 520 P CB 0.141 31.831 31.700 -0.017 0.000 0.801 521 N N 1.364 120.045 118.700 -0.032 0.000 2.400 521 N HA 0.040 4.780 4.740 -0.001 0.000 0.267 521 N C 0.905 176.391 175.510 -0.040 0.000 1.208 521 N CA 0.214 53.243 53.050 -0.034 0.000 0.951 521 N CB 0.521 38.984 38.487 -0.039 0.000 1.227 521 N HN -0.015 nan 8.380 nan 0.000 0.488 522 S N 2.515 118.196 115.700 -0.031 0.000 2.392 522 S HA -0.203 4.267 4.470 -0.001 0.000 0.232 522 S C 1.685 176.264 174.600 -0.034 0.000 1.041 522 S CA 0.853 59.036 58.200 -0.029 0.000 1.026 522 S CB 0.037 63.228 63.200 -0.015 0.000 0.845 522 S HN 0.556 nan 8.310 nan 0.000 0.465 523 L N 1.520 122.720 121.223 -0.039 0.000 2.127 523 L HA 0.188 4.528 4.340 -0.001 0.000 0.203 523 L C 2.200 179.042 176.870 -0.046 0.000 1.080 523 L CA 1.605 56.419 54.840 -0.042 0.000 0.768 523 L CB -0.751 41.275 42.059 -0.055 0.000 0.924 523 L HN 0.256 nan 8.230 nan 0.000 0.444 524 E N -0.321 119.848 120.200 -0.051 0.000 2.153 524 E HA -0.293 4.057 4.350 -0.001 0.000 0.194 524 E C 2.151 178.714 176.600 -0.063 0.000 0.988 524 E CA 1.160 57.529 56.400 -0.052 0.000 0.811 524 E CB -0.025 29.645 29.700 -0.050 0.000 0.746 524 E HN 0.475 nan 8.360 nan 0.000 0.466 525 K N 0.760 121.118 120.400 -0.071 0.000 2.001 525 K HA -0.309 4.010 4.320 -0.001 0.000 0.214 525 K C 2.350 178.893 176.600 -0.095 0.000 1.050 525 K CA 2.125 58.351 56.287 -0.101 0.000 0.934 525 K CB -0.263 32.178 32.500 -0.100 0.000 0.718 525 K HN 0.151 nan 8.250 nan 0.000 0.443 526 Q N 0.820 120.583 119.800 -0.061 0.000 2.062 526 Q HA -0.269 4.070 4.340 -0.001 0.000 0.209 526 Q C 2.173 178.153 176.000 -0.032 0.000 0.996 526 Q CA 2.165 57.946 55.803 -0.036 0.000 0.859 526 Q CB -0.109 28.620 28.738 -0.015 0.000 0.920 526 Q HN 0.277 nan 8.270 nan 0.000 0.415 527 K N -0.723 119.655 120.400 -0.035 0.000 1.991 527 K HA -0.166 4.153 4.320 -0.001 0.000 0.212 527 K C 2.068 178.645 176.600 -0.039 0.000 1.049 527 K CA 1.557 57.826 56.287 -0.030 0.000 0.932 527 K CB -0.667 31.813 32.500 -0.033 0.000 0.717 527 K HN 0.408 nan 8.250 nan 0.000 0.441 528 G N 0.534 109.298 108.800 -0.060 0.000 2.507 528 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.221 528 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.221 528 G C 1.451 176.306 174.900 -0.076 0.000 1.119 528 G CA 1.285 46.341 45.100 -0.074 0.000 0.751 528 G HN 0.246 nan 8.290 nan 0.000 0.574 529 V N 0.503 120.366 119.914 -0.085 0.000 2.273 529 V HA -0.135 3.984 4.120 -0.001 0.000 0.242 529 V C 3.085 179.205 176.094 0.043 0.000 1.035 529 V CA 2.288 64.560 62.300 -0.047 0.000 1.013 529 V CB -1.086 30.710 31.823 -0.045 0.000 0.652 529 V HN 0.380 nan 8.190 nan 0.000 0.452 530 T N 0.696 115.269 114.554 0.031 0.000 2.653 530 T HA -0.242 4.108 4.350 -0.001 0.000 0.268 530 T C 1.846 176.568 174.700 0.036 0.000 1.035 530 T CA 1.913 64.039 62.100 0.043 0.000 1.154 530 T CB -0.452 68.432 68.868 0.027 0.000 0.862 530 T HN 0.390 nan 8.240 nan 0.000 0.441 531 N N 0.964 119.671 118.700 0.011 0.000 2.166 531 N HA 0.013 4.752 4.740 -0.001 0.000 0.186 531 N C 1.913 177.424 175.510 0.001 0.000 1.019 531 N CA 0.796 53.841 53.050 -0.008 0.000 0.856 531 N CB -0.484 37.988 38.487 -0.026 0.000 0.993 531 N HN 0.345 nan 8.380 nan 0.000 0.426 532 L N 0.938 122.190 121.223 0.048 0.000 2.017 532 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 532 L C 2.319 179.297 176.870 0.180 0.000 1.073 532 L CA 0.813 55.733 54.840 0.134 0.000 0.745 532 L CB -0.326 41.880 42.059 0.244 0.000 0.894 532 L HN 0.234 nan 8.230 nan 0.000 0.432 533 L N -0.164 121.158 121.223 0.166 0.000 2.201 533 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 533 L C 2.263 179.197 176.870 0.106 0.000 1.105 533 L CA 1.721 56.652 54.840 0.151 0.000 0.775 533 L CB -0.398 41.741 42.059 0.134 0.000 0.913 533 L HN 0.262 nan 8.230 nan 0.000 0.440 534 I N -0.181 120.426 120.570 0.061 0.000 2.162 534 I HA -0.250 3.919 4.170 -0.001 0.000 0.238 534 I C 2.637 178.754 176.117 0.000 0.000 1.076 534 I CA 0.737 62.053 61.300 0.027 0.000 1.353 534 I CB -0.381 37.616 38.000 -0.005 0.000 1.063 534 I HN 0.206 nan 8.210 nan 0.000 0.408 535 K N 1.176 121.535 120.400 -0.068 0.000 1.988 535 K HA -0.243 4.077 4.320 -0.001 0.000 0.221 535 K C 1.883 178.380 176.600 -0.173 0.000 1.053 535 K CA 2.184 58.347 56.287 -0.206 0.000 0.959 535 K CB -0.537 31.718 32.500 -0.408 0.000 0.728 535 K HN 0.249 nan 8.250 nan 0.000 0.447 536 Y N -0.863 119.488 120.300 0.085 0.000 2.502 536 Y HA 0.123 4.672 4.550 -0.001 0.000 0.295 536 Y C 1.822 177.798 175.900 0.128 0.000 1.193 536 Y CA 0.603 58.764 58.100 0.103 0.000 1.295 536 Y CB 0.335 38.844 38.460 0.083 0.000 1.059 536 Y HN 0.343 nan 8.280 nan 0.000 0.514 537 G N -1.741 107.203 108.800 0.240 0.000 2.408 537 G HA2 0.093 4.052 3.960 -0.001 0.000 0.190 537 G HA3 0.093 4.052 3.960 -0.001 0.000 0.190 537 G C 1.087 176.170 174.900 0.305 0.000 1.377 537 G CA 0.023 45.255 45.100 0.220 0.000 0.690 537 G HN 0.274 nan 8.290 nan 0.000 1.014 538 I N 0.704 121.388 120.570 0.190 0.000 3.708 538 I HA 0.204 4.373 4.170 -0.001 0.000 0.302 538 I C 0.909 177.024 176.117 -0.002 0.000 1.255 538 I CA 0.047 61.427 61.300 0.133 0.000 1.362 538 I CB 0.608 38.648 38.000 0.067 0.000 1.100 538 I HN 0.101 nan 8.210 nan 0.000 0.434 539 E N 2.838 123.046 120.200 0.012 0.000 2.360 539 E HA 0.163 4.512 4.350 -0.001 0.000 0.269 539 E C -0.396 176.163 176.600 -0.069 0.000 1.022 539 E CA -0.154 56.211 56.400 -0.059 0.000 0.887 539 E CB 0.628 30.297 29.700 -0.051 0.000 0.990 539 E HN 0.172 nan 8.360 nan 0.000 0.426 540 R N 3.762 124.179 120.500 -0.139 0.000 2.435 540 R HA 0.300 4.639 4.340 -0.001 0.000 0.308 540 R C -0.677 175.551 176.300 -0.119 0.000 0.975 540 R CA -0.822 55.193 56.100 -0.143 0.000 0.867 540 R CB 1.375 31.545 30.300 -0.216 0.000 1.171 540 R HN 0.350 nan 8.270 nan 0.000 0.470 541 K N 3.210 123.556 120.400 -0.089 0.000 2.123 541 K HA 0.486 4.805 4.320 -0.001 0.000 0.248 541 K C -2.424 174.133 176.600 -0.071 0.000 0.969 541 K CA -1.983 54.260 56.287 -0.073 0.000 0.882 541 K CB 1.507 33.975 32.500 -0.052 0.000 1.080 541 K HN 0.305 nan 8.250 nan 0.000 0.441 542 P HA 0.202 nan 4.420 nan 0.000 0.284 542 P C -1.011 176.267 177.300 -0.037 0.000 1.258 542 P CA -0.157 62.911 63.100 -0.052 0.000 0.824 542 P CB 1.094 32.766 31.700 -0.047 0.000 1.038 543 D N -0.038 120.344 120.400 -0.030 0.000 2.619 543 D HA 0.137 4.776 4.640 -0.001 0.000 0.241 543 D C 1.273 177.571 176.300 -0.005 0.000 1.087 543 D CA -0.383 53.606 54.000 -0.018 0.000 0.851 543 D CB 2.240 43.027 40.800 -0.023 0.000 1.474 543 D HN 0.270 nan 8.370 nan 0.000 0.478 544 S N 1.465 117.166 115.700 0.003 0.000 2.370 544 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 544 S C 1.766 176.379 174.600 0.022 0.000 1.033 544 S CA 2.123 60.333 58.200 0.016 0.000 1.011 544 S CB -0.632 62.578 63.200 0.018 0.000 0.852 544 S HN 0.665 nan 8.310 nan 0.000 0.457 545 T N 0.746 115.307 114.554 0.012 0.000 2.755 545 T HA 0.142 4.492 4.350 -0.001 0.000 0.251 545 T C 1.223 175.928 174.700 0.009 0.000 1.044 545 T CA 0.425 62.531 62.100 0.010 0.000 1.154 545 T CB -0.557 68.313 68.868 0.003 0.000 0.866 545 T HN 0.382 nan 8.240 nan 0.000 0.416 546 K N 2.173 122.575 120.400 0.003 0.000 2.862 546 K HA 0.480 4.799 4.320 -0.001 0.000 0.229 546 K C 1.175 177.794 176.600 0.031 0.000 1.107 546 K CA 0.008 56.304 56.287 0.015 0.000 1.222 546 K CB -0.259 32.233 32.500 -0.013 0.000 1.067 546 K HN 0.648 nan 8.250 nan 0.000 0.464 547 G N 0.908 109.723 108.800 0.025 0.000 2.564 547 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.273 547 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.273 547 G C -0.352 174.531 174.900 -0.030 0.000 1.242 547 G CA -0.318 44.782 45.100 0.000 0.000 0.951 547 G HN 0.269 nan 8.290 nan 0.000 0.564 548 T N 1.508 116.029 114.554 -0.055 0.000 2.771 548 T HA 0.653 5.002 4.350 -0.001 0.000 0.281 548 T C 0.260 174.906 174.700 -0.090 0.000 0.982 548 T CA 0.469 62.524 62.100 -0.075 0.000 0.978 548 T CB 1.000 69.813 68.868 -0.093 0.000 0.930 548 T HN 1.586 nan 8.240 nan 0.000 0.447 549 L N -0.321 120.839 121.223 -0.105 0.000 2.869 549 L HA 0.793 5.132 4.340 -0.001 0.000 0.265 549 L C -0.363 176.405 176.870 -0.170 0.000 1.011 549 L CA -1.131 53.623 54.840 -0.143 0.000 0.913 549 L CB 1.567 43.532 42.059 -0.158 0.000 1.490 549 L HN 0.531 nan 8.230 nan 0.000 0.410 550 S N 0.244 115.792 115.700 -0.253 0.000 2.626 550 S HA 0.289 4.759 4.470 -0.001 0.000 0.257 550 S C 0.640 175.085 174.600 -0.259 0.000 1.288 550 S CA 0.419 58.468 58.200 -0.252 0.000 0.980 550 S CB 0.673 63.630 63.200 -0.404 0.000 0.975 550 S HN 0.901 nan 8.310 nan 0.000 0.577 551 N N 0.081 118.710 118.700 -0.117 0.000 2.220 551 N HA 0.012 4.751 4.740 -0.001 0.000 0.182 551 N C 1.815 177.305 175.510 -0.034 0.000 1.023 551 N CA 1.251 54.283 53.050 -0.031 0.000 0.856 551 N CB -0.220 38.322 38.487 0.091 0.000 0.997 551 N HN 0.846 nan 8.380 nan 0.000 0.429 552 W N 1.821 123.152 121.300 0.051 0.000 2.358 552 W HA -0.097 4.563 4.660 -0.001 0.000 0.303 552 W C 1.284 177.823 176.519 0.033 0.000 1.208 552 W CA 0.572 57.942 57.345 0.042 0.000 1.274 552 W CB -1.029 28.460 29.460 0.049 0.000 1.138 552 W HN 0.102 nan 8.180 nan 0.000 0.515 553 Q N 1.258 120.279 119.800 -1.298 0.000 2.197 553 Q HA -0.279 4.060 4.340 -0.001 0.000 0.211 553 Q C 2.256 177.998 176.000 -0.430 0.000 0.993 553 Q CA 2.693 57.808 55.803 -1.146 0.000 0.883 553 Q CB -0.431 27.698 28.738 -1.014 0.000 0.916 553 Q HN 0.487 nan 8.270 nan 0.000 0.418 554 K N 0.882 121.117 120.400 -0.275 0.000 2.021 554 K HA -0.194 4.125 4.320 -0.001 0.000 0.205 554 K C 2.280 178.847 176.600 -0.055 0.000 1.047 554 K CA 1.284 57.492 56.287 -0.131 0.000 0.943 554 K CB -0.028 32.419 32.500 -0.088 0.000 0.725 554 K HN 0.255 nan 8.250 nan 0.000 0.439 555 Q N 0.646 120.445 119.800 -0.001 0.000 2.045 555 Q HA -0.282 4.057 4.340 -0.001 0.000 0.206 555 Q C 2.117 178.147 176.000 0.050 0.000 0.991 555 Q CA 2.224 58.055 55.803 0.046 0.000 0.851 555 Q CB -0.627 28.170 28.738 0.098 0.000 0.911 555 Q HN 0.364 nan 8.270 nan 0.000 0.418 556 M N 0.375 120.027 119.600 0.087 0.000 2.267 556 M HA -0.087 4.392 4.480 -0.001 0.000 0.263 556 M C 1.736 178.045 176.300 0.014 0.000 1.063 556 M CA 1.350 56.707 55.300 0.095 0.000 1.090 556 M CB -0.196 32.526 32.600 0.202 0.000 1.392 556 M HN 0.353 nan 8.290 nan 0.000 0.422 557 L N 0.065 121.264 121.223 -0.039 0.000 2.109 557 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 557 L C 1.636 178.492 176.870 -0.023 0.000 1.086 557 L CA 1.784 56.590 54.840 -0.057 0.000 0.760 557 L CB -0.670 41.337 42.059 -0.088 0.000 0.910 557 L HN 0.291 nan 8.230 nan 0.000 0.437 558 D N -0.895 119.496 120.400 -0.015 0.000 2.091 558 D HA -0.110 4.529 4.640 -0.001 0.000 0.199 558 D C 2.218 178.513 176.300 -0.007 0.000 0.980 558 D CA 0.710 54.702 54.000 -0.014 0.000 0.831 558 D CB -0.185 40.608 40.800 -0.013 0.000 0.987 558 D HN 0.083 nan 8.370 nan 0.000 0.460 559 R N 0.581 121.088 120.500 0.010 0.000 2.170 559 R HA -0.092 4.247 4.340 -0.001 0.000 0.242 559 R C 2.387 178.727 176.300 0.068 0.000 1.145 559 R CA 0.363 56.477 56.100 0.024 0.000 0.984 559 R CB -0.894 29.438 30.300 0.054 0.000 0.869 559 R HN 0.347 nan 8.270 nan 0.000 0.455 560 L N 0.535 121.811 121.223 0.088 0.000 1.988 560 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 560 L C 2.081 179.119 176.870 0.279 0.000 1.071 560 L CA 1.288 56.253 54.840 0.209 0.000 0.744 560 L CB -0.593 41.501 42.059 0.059 0.000 0.893 560 L HN 0.197 nan 8.230 nan 0.000 0.433 561 N N 0.218 118.994 118.700 0.126 0.000 2.058 561 N HA -0.251 4.488 4.740 -0.001 0.000 0.191 561 N C 1.711 177.209 175.510 -0.020 0.000 1.037 561 N CA 1.671 54.754 53.050 0.055 0.000 0.848 561 N CB -0.299 38.196 38.487 0.013 0.000 1.021 561 N HN 0.407 nan 8.380 nan 0.000 0.422 562 E N 1.209 121.346 120.200 -0.104 0.000 2.065 562 E HA -0.232 4.117 4.350 -0.001 0.000 0.201 562 E C 1.901 178.306 176.600 -0.325 0.000 1.016 562 E CA 1.758 57.956 56.400 -0.337 0.000 0.818 562 E CB -0.198 29.247 29.700 -0.425 0.000 0.749 562 E HN 0.294 nan 8.360 nan 0.000 0.453 563 A N 0.859 123.605 122.820 -0.122 0.000 1.917 563 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 563 A C 2.384 179.976 177.584 0.014 0.000 1.182 563 A CA 2.195 54.233 52.037 0.001 0.000 0.633 563 A CB -1.013 18.066 19.000 0.132 0.000 0.819 563 A HN 0.473 nan 8.150 nan 0.000 0.448 564 V N -3.370 116.533 119.914 -0.018 0.000 3.636 564 V HA 0.242 4.361 4.120 -0.001 0.000 0.279 564 V C 1.368 177.489 176.094 0.045 0.000 1.263 564 V CA 1.794 64.044 62.300 -0.083 0.000 1.182 564 V CB -0.575 31.000 31.823 -0.412 0.000 0.955 564 V HN 0.514 nan 8.190 nan 0.000 0.443 565 K N -0.947 119.497 120.400 0.074 0.000 2.435 565 K HA 0.301 4.621 4.320 -0.001 0.000 0.199 565 K C 1.297 178.052 176.600 0.258 0.000 1.153 565 K CA -0.120 56.261 56.287 0.157 0.000 0.974 565 K CB 0.277 32.834 32.500 0.095 0.000 0.997 565 K HN 0.532 nan 8.250 nan 0.000 0.547 566 Y N 0.129 120.468 120.300 0.066 0.000 2.470 566 Y HA -0.022 4.527 4.550 -0.001 0.000 0.302 566 Y C 1.654 177.583 175.900 0.049 0.000 1.194 566 Y CA -0.058 58.072 58.100 0.050 0.000 1.271 566 Y CB 0.716 39.206 38.460 0.048 0.000 1.092 566 Y HN 0.143 nan 8.280 nan 0.000 0.513 567 T N -1.825 112.856 114.554 0.211 0.000 3.114 567 T HA 0.271 4.621 4.350 -0.001 0.000 0.240 567 T C 1.364 176.136 174.700 0.119 0.000 0.983 567 T CA 1.084 63.268 62.100 0.140 0.000 1.151 567 T CB 0.339 69.284 68.868 0.128 0.000 0.974 567 T HN 0.378 nan 8.240 nan 0.000 0.442 568 G N 0.039 108.929 108.800 0.150 0.000 4.569 568 G HA2 0.067 4.026 3.960 -0.001 0.000 0.221 568 G HA3 0.067 4.026 3.960 -0.001 0.000 0.221 568 G C -0.620 174.378 174.900 0.162 0.000 0.778 568 G CA -0.435 44.737 45.100 0.120 0.000 1.115 568 G HN 0.438 nan 8.290 nan 0.000 0.774 569 Y N 2.521 122.858 120.300 0.061 0.000 2.319 569 Y HA 0.501 5.050 4.550 -0.001 0.000 0.328 569 Y C 1.272 177.178 175.900 0.010 0.000 1.133 569 Y CA 0.462 58.586 58.100 0.040 0.000 1.265 569 Y CB 1.789 40.253 38.460 0.007 0.000 1.218 569 Y HN 0.149 nan 8.280 nan 0.000 0.508 570 T N 0.245 114.471 114.554 -0.547 0.000 3.231 570 T HA 0.257 4.606 4.350 -0.001 0.000 0.292 570 T C 1.022 175.341 174.700 -0.634 0.000 1.001 570 T CA 0.188 62.021 62.100 -0.445 0.000 0.920 570 T CB -0.244 68.492 68.868 -0.219 0.000 1.140 570 T HN 0.726 nan 8.240 nan 0.000 0.525 571 G N -0.045 107.935 108.800 -1.367 0.000 3.189 571 G HA2 0.543 4.502 3.960 -0.001 0.000 0.225 571 G HA3 0.543 4.502 3.960 -0.001 0.000 0.225 571 G C 0.994 175.622 174.900 -0.453 0.000 1.159 571 G CA 0.038 44.634 45.100 -0.841 0.000 0.763 571 G HN 1.028 nan 8.290 nan 0.000 0.549 572 G N 0.419 108.966 108.800 -0.421 0.000 2.848 572 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.246 572 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.246 572 G C -0.908 174.043 174.900 0.085 0.000 1.374 572 G CA -0.014 45.026 45.100 -0.101 0.000 0.982 572 G HN 0.314 nan 8.290 nan 0.000 0.563 573 D N 0.162 120.618 120.400 0.093 0.000 2.198 573 D HA 0.572 5.211 4.640 -0.001 0.000 0.247 573 D C 0.728 177.040 176.300 0.020 0.000 1.010 573 D CA 0.119 54.154 54.000 0.058 0.000 0.880 573 D CB 2.062 42.855 40.800 -0.011 0.000 1.209 573 D HN 0.514 nan 8.370 nan 0.000 0.451 574 V N 1.453 121.288 119.914 -0.131 0.000 3.661 574 V HA 0.102 4.221 4.120 -0.001 0.000 0.271 574 V C -0.220 175.711 176.094 -0.271 0.000 1.315 574 V CA 0.537 62.601 62.300 -0.393 0.000 1.072 574 V CB 0.673 31.978 31.823 -0.864 0.000 0.830 574 V HN 0.296 nan 8.190 nan 0.000 0.443 575 V N 1.806 121.655 119.914 -0.108 0.000 2.325 575 V HA 0.356 4.476 4.120 -0.001 0.000 0.280 575 V C 0.499 176.499 176.094 -0.156 0.000 1.016 575 V CA -0.236 62.020 62.300 -0.073 0.000 0.818 575 V CB 1.021 32.861 31.823 0.027 0.000 1.019 575 V HN 0.475 nan 8.190 nan 0.000 0.434 576 N N 2.586 121.112 118.700 -0.291 0.000 2.258 576 N HA 0.032 4.771 4.740 -0.001 0.000 0.183 576 N C 0.423 175.806 175.510 -0.210 0.000 1.029 576 N CA 0.612 53.508 53.050 -0.257 0.000 0.857 576 N CB 0.138 38.467 38.487 -0.263 0.000 1.008 576 N HN 0.847 nan 8.380 nan 0.000 0.433 577 H N -0.702 118.346 119.070 -0.036 0.000 2.850 577 H HA 0.651 5.206 4.556 -0.001 0.000 0.297 577 H C 0.616 175.899 175.328 -0.074 0.000 1.508 577 H CA -0.943 55.075 56.048 -0.051 0.000 1.513 577 H CB -0.273 29.464 29.762 -0.041 0.000 1.803 577 H HN 0.009 nan 8.280 nan 0.000 0.830 578 G N -0.925 107.967 108.800 0.152 0.000 2.553 578 G HA2 0.389 4.348 3.960 -0.001 0.000 0.278 578 G HA3 0.389 4.348 3.960 -0.001 0.000 0.278 578 G C -0.456 174.460 174.900 0.027 0.000 1.349 578 G CA -0.327 44.780 45.100 0.011 0.000 1.037 578 G HN 0.923 nan 8.290 nan 0.000 0.508 579 T N -1.913 112.602 114.554 -0.064 0.000 2.794 579 T HA 0.248 4.597 4.350 -0.001 0.000 0.296 579 T C 1.057 175.681 174.700 -0.127 0.000 0.949 579 T CA 0.042 62.090 62.100 -0.087 0.000 1.101 579 T CB 1.701 70.491 68.868 -0.130 0.000 0.905 579 T HN 0.631 nan 8.240 nan 0.000 0.516 580 E N 1.819 121.934 120.200 -0.142 0.000 2.444 580 E HA -0.268 4.082 4.350 -0.001 0.000 0.205 580 E C 1.553 177.976 176.600 -0.294 0.000 1.054 580 E CA 1.357 57.636 56.400 -0.202 0.000 0.873 580 E CB -0.360 29.230 29.700 -0.184 0.000 0.793 580 E HN 0.621 nan 8.360 nan 0.000 0.549 581 Q N -0.122 119.500 119.800 -0.297 0.000 2.482 581 Q HA -0.018 4.321 4.340 -0.001 0.000 0.209 581 Q C 0.503 176.403 176.000 -0.166 0.000 0.961 581 Q CA 0.784 56.413 55.803 -0.289 0.000 0.945 581 Q CB 0.397 28.942 28.738 -0.322 0.000 1.012 581 Q HN 0.475 nan 8.270 nan 0.000 0.515 582 D N -0.507 119.800 120.400 -0.154 0.000 2.469 582 D HA -0.025 4.614 4.640 -0.001 0.000 0.213 582 D C 0.101 176.295 176.300 -0.177 0.000 1.135 582 D CA -0.038 53.867 54.000 -0.158 0.000 0.834 582 D CB 0.248 40.978 40.800 -0.117 0.000 1.009 582 D HN 0.107 nan 8.370 nan 0.000 0.507 583 N N 2.030 120.617 118.700 -0.187 0.000 3.103 583 N HA -0.039 4.700 4.740 -0.001 0.000 0.305 583 N C 0.860 176.259 175.510 -0.184 0.000 1.232 583 N CA 0.256 53.216 53.050 -0.150 0.000 1.190 583 N CB -0.010 38.399 38.487 -0.130 0.000 1.461 583 N HN 0.067 nan 8.380 nan 0.000 0.538 584 E N 0.337 120.420 120.200 -0.196 0.000 2.204 584 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 584 E C 0.916 177.385 176.600 -0.218 0.000 0.989 584 E CA 0.887 57.148 56.400 -0.231 0.000 0.824 584 E CB 0.257 29.829 29.700 -0.213 0.000 0.756 584 E HN 0.677 nan 8.360 nan 0.000 0.477 585 E N -0.100 119.990 120.200 -0.182 0.000 2.021 585 E HA -0.049 4.300 4.350 -0.001 0.000 0.189 585 E C 0.336 176.628 176.600 -0.513 0.000 0.980 585 E CA 0.701 56.917 56.400 -0.307 0.000 0.803 585 E CB 0.127 29.722 29.700 -0.175 0.000 0.766 585 E HN 0.161 nan 8.360 nan 0.000 0.449 586 F N 1.474 121.359 119.950 -0.107 0.000 2.798 586 F HA 0.250 4.776 4.527 -0.001 0.000 0.333 586 F C -2.197 173.549 175.800 -0.091 0.000 1.324 586 F CA -2.444 55.504 58.000 -0.088 0.000 1.183 586 F CB 0.554 39.507 39.000 -0.078 0.000 1.132 586 F HN -0.124 nan 8.300 nan 0.000 0.521 587 P HA 0.010 nan 4.420 nan 0.000 0.267 587 P C -0.424 176.874 177.300 -0.003 0.000 1.200 587 P CA 0.396 63.462 63.100 -0.058 0.000 0.772 587 P CB 1.301 32.912 31.700 -0.148 0.000 0.855 588 E N 1.095 121.300 120.200 0.008 0.000 2.343 588 E HA 0.334 4.684 4.350 -0.001 0.000 0.270 588 E C -0.687 175.898 176.600 -0.026 0.000 0.895 588 E CA -1.051 55.355 56.400 0.010 0.000 0.767 588 E CB 2.462 32.193 29.700 0.052 0.000 1.248 588 E HN 0.374 nan 8.360 nan 0.000 0.440 589 K N 2.191 122.522 120.400 -0.114 0.000 2.281 589 K HA 0.239 4.558 4.320 -0.001 0.000 0.272 589 K C -1.440 175.175 176.600 0.025 0.000 1.048 589 K CA -0.393 55.731 56.287 -0.272 0.000 0.898 589 K CB 0.510 32.713 32.500 -0.495 0.000 1.128 589 K HN 0.381 nan 8.250 nan 0.000 0.460 590 D N 3.063 123.628 120.400 0.273 0.000 2.256 590 D HA 0.181 4.820 4.640 -0.001 0.000 0.240 590 D C 0.652 177.176 176.300 0.375 0.000 1.062 590 D CA -0.693 53.487 54.000 0.301 0.000 0.832 590 D CB 1.447 42.449 40.800 0.336 0.000 1.135 590 D HN 0.377 nan 8.370 nan 0.000 0.484 591 N N 1.632 120.482 118.700 0.249 0.000 2.004 591 N HA -0.125 4.614 4.740 -0.001 0.000 0.196 591 N C -0.007 175.612 175.510 0.182 0.000 1.064 591 N CA 1.014 54.201 53.050 0.228 0.000 0.855 591 N CB -0.147 38.428 38.487 0.146 0.000 1.056 591 N HN 0.546 nan 8.380 nan 0.000 0.423 592 E N 0.634 120.912 120.200 0.130 0.000 2.316 592 E HA 0.229 4.578 4.350 -0.001 0.000 0.275 592 E C -0.417 176.231 176.600 0.081 0.000 1.029 592 E CA 0.108 56.558 56.400 0.083 0.000 0.871 592 E CB 0.987 30.735 29.700 0.080 0.000 1.022 592 E HN 0.176 nan 8.360 nan 0.000 0.418 593 I N 3.812 124.380 120.570 -0.005 0.000 2.478 593 I HA 0.181 4.351 4.170 -0.001 0.000 0.287 593 I C -0.744 175.351 176.117 -0.036 0.000 1.042 593 I CA -0.783 60.485 61.300 -0.053 0.000 1.067 593 I CB 0.898 38.698 38.000 -0.334 0.000 1.233 593 I HN 0.497 nan 8.210 nan 0.000 0.431 594 F N 7.846 127.755 119.950 -0.069 0.000 2.456 594 F HA 0.525 5.052 4.527 -0.001 0.000 0.358 594 F C -0.172 175.593 175.800 -0.058 0.000 1.095 594 F CA 0.069 58.024 58.000 -0.074 0.000 1.216 594 F CB 0.538 39.493 39.000 -0.073 0.000 1.125 594 F HN 0.261 nan 8.300 nan 0.000 0.549 595 I N 7.339 127.543 120.570 -0.609 0.000 2.647 595 I HA 0.361 4.530 4.170 -0.001 0.000 0.295 595 I C -0.880 174.908 176.117 -0.550 0.000 1.078 595 I CA -0.761 60.293 61.300 -0.409 0.000 1.048 595 I CB 2.297 40.044 38.000 -0.421 0.000 1.239 595 I HN 0.398 nan 8.210 nan 0.000 0.421 596 I N 4.798 125.211 120.570 -0.262 0.000 2.405 596 I HA 0.171 4.341 4.170 -0.001 0.000 0.280 596 I C -0.010 176.005 176.117 -0.169 0.000 1.027 596 I CA -0.590 60.577 61.300 -0.221 0.000 1.161 596 I CB 1.141 39.083 38.000 -0.096 0.000 1.300 596 I HN 0.687 nan 8.210 nan 0.000 0.463 597 N N 8.287 126.847 118.700 -0.233 0.000 2.267 597 N HA 0.041 4.780 4.740 -0.001 0.000 0.226 597 N C -1.660 173.634 175.510 -0.361 0.000 1.314 597 N CA -0.728 52.020 53.050 -0.503 0.000 0.887 597 N CB 0.141 38.429 38.487 -0.332 0.000 1.120 597 N HN 0.295 nan 8.380 nan 0.000 0.440 598 P HA -0.145 nan 4.420 nan 0.000 0.228 598 P C -0.150 177.135 177.300 -0.024 0.000 1.151 598 P CA 1.455 64.488 63.100 -0.111 0.000 0.770 598 P CB 0.119 31.854 31.700 0.058 0.000 0.786 599 E N -1.660 118.513 120.200 -0.045 0.000 2.399 599 E HA 0.253 4.602 4.350 -0.001 0.000 0.205 599 E C 1.514 178.136 176.600 0.036 0.000 0.906 599 E CA 0.697 57.100 56.400 0.006 0.000 0.998 599 E CB 0.474 30.174 29.700 0.001 0.000 1.002 599 E HN 0.272 nan 8.360 nan 0.000 0.501 600 G N 1.456 110.287 108.800 0.051 0.000 3.382 600 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.214 600 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.214 600 G C -0.290 174.745 174.900 0.225 0.000 1.025 600 G CA -0.625 44.560 45.100 0.142 0.000 0.869 600 G HN 0.119 nan 8.290 nan 0.000 0.458 601 E N 0.841 121.106 120.200 0.108 0.000 2.481 601 E HA 0.317 4.667 4.350 -0.001 0.000 0.263 601 E C -0.406 176.367 176.600 0.288 0.000 0.992 601 E CA 0.342 56.804 56.400 0.103 0.000 0.938 601 E CB 0.494 30.210 29.700 0.026 0.000 0.933 601 E HN 0.397 nan 8.360 nan 0.000 0.453 602 F N 2.318 122.190 119.950 -0.130 0.000 2.397 602 F HA 0.551 5.077 4.527 -0.001 0.000 0.331 602 F C 0.628 176.224 175.800 -0.340 0.000 1.090 602 F CA -1.011 56.807 58.000 -0.303 0.000 1.065 602 F CB 0.938 39.891 39.000 -0.077 0.000 1.184 602 F HN 0.170 nan 8.300 nan 0.000 0.499 603 I N 2.703 123.022 120.570 -0.419 0.000 2.913 603 I HA 0.350 4.520 4.170 -0.001 0.000 0.302 603 I C -1.552 174.326 176.117 -0.398 0.000 1.246 603 I CA -0.925 60.187 61.300 -0.313 0.000 1.010 603 I CB 2.913 40.724 38.000 -0.316 0.000 1.259 603 I HN 0.375 nan 8.210 nan 0.000 0.434 604 L N 4.533 125.639 121.223 -0.194 0.000 2.529 604 L HA 0.370 4.710 4.340 -0.001 0.000 0.258 604 L C 0.329 177.137 176.870 -0.102 0.000 1.032 604 L CA 0.030 54.810 54.840 -0.100 0.000 0.899 604 L CB 1.301 43.404 42.059 0.074 0.000 1.174 604 L HN 0.830 nan 8.230 nan 0.000 0.458 605 T N 0.310 114.754 114.554 -0.184 0.000 2.649 605 T HA 0.098 4.447 4.350 -0.001 0.000 0.337 605 T C 0.773 175.446 174.700 -0.046 0.000 1.070 605 T CA 0.511 62.532 62.100 -0.133 0.000 1.052 605 T CB 0.665 69.416 68.868 -0.196 0.000 0.994 605 T HN 0.749 nan 8.240 nan 0.000 0.544 606 K N -0.133 120.256 120.400 -0.019 0.000 2.474 606 K HA 0.250 4.570 4.320 -0.001 0.000 0.202 606 K C 0.225 176.854 176.600 0.048 0.000 1.248 606 K CA -0.292 56.007 56.287 0.020 0.000 0.946 606 K CB 0.486 32.998 32.500 0.019 0.000 1.102 606 K HN 0.476 nan 8.250 nan 0.000 0.541 607 N N -0.422 118.301 118.700 0.038 0.000 2.265 607 N HA 0.046 4.785 4.740 -0.001 0.000 0.300 607 N C -0.521 175.051 175.510 0.103 0.000 1.148 607 N CA -0.512 52.590 53.050 0.088 0.000 0.772 607 N CB 1.209 39.731 38.487 0.059 0.000 1.434 607 N HN 0.093 nan 8.380 nan 0.000 0.481 608 W N 1.722 123.040 121.300 0.029 0.000 2.331 608 W HA -0.201 4.458 4.660 -0.001 0.000 0.291 608 W C 0.491 177.014 176.519 0.006 0.000 1.214 608 W CA 1.631 59.013 57.345 0.062 0.000 1.228 608 W CB 0.463 29.968 29.460 0.075 0.000 1.135 608 W HN 0.639 nan 8.180 nan 0.000 0.537 609 E N 0.037 120.200 120.200 -0.063 0.000 2.014 609 E HA -0.235 4.114 4.350 -0.001 0.000 0.190 609 E C 2.206 178.663 176.600 -0.238 0.000 0.980 609 E CA 1.659 57.945 56.400 -0.190 0.000 0.807 609 E CB -1.263 28.396 29.700 -0.069 0.000 0.770 609 E HN 0.138 nan 8.360 nan 0.000 0.451 610 M N 0.698 120.219 119.600 -0.132 0.000 2.116 610 M HA -0.282 4.197 4.480 -0.001 0.000 0.255 610 M C 1.724 177.939 176.300 -0.142 0.000 1.075 610 M CA 1.973 57.209 55.300 -0.106 0.000 1.087 610 M CB -0.327 32.241 32.600 -0.053 0.000 1.340 610 M HN 0.153 nan 8.290 nan 0.000 0.402 611 T N -0.012 114.410 114.554 -0.219 0.000 2.652 611 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 611 T C 1.617 176.107 174.700 -0.349 0.000 1.039 611 T CA 1.667 63.591 62.100 -0.293 0.000 1.153 611 T CB -1.078 67.550 68.868 -0.399 0.000 0.863 611 T HN 0.707 nan 8.240 nan 0.000 0.428 612 G N 1.273 109.725 108.800 -0.580 0.000 2.446 612 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.217 612 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.217 612 G C 1.720 176.282 174.900 -0.564 0.000 1.168 612 G CA 0.731 45.307 45.100 -0.873 0.000 0.771 612 G HN 0.410 nan 8.290 nan 0.000 0.551 613 R N -0.925 119.350 120.500 -0.375 0.000 2.096 613 R HA -0.013 4.326 4.340 -0.001 0.000 0.235 613 R C 2.237 178.415 176.300 -0.204 0.000 1.127 613 R CA 1.216 57.158 56.100 -0.264 0.000 0.968 613 R CB -0.474 29.716 30.300 -0.183 0.000 0.861 613 R HN 0.440 nan 8.270 nan 0.000 0.440 614 F N 1.349 121.127 119.950 -0.286 0.000 2.000 614 F HA -0.212 4.314 4.527 -0.001 0.000 0.295 614 F C 2.011 177.631 175.800 -0.299 0.000 1.159 614 F CA 1.725 59.578 58.000 -0.245 0.000 1.171 614 F CB -0.371 38.499 39.000 -0.218 0.000 0.971 614 F HN -0.155 nan 8.300 nan 0.000 0.479 615 I N 0.427 121.016 120.570 0.031 0.000 2.285 615 I HA -0.396 3.773 4.170 -0.001 0.000 0.253 615 I C 2.260 178.163 176.117 -0.357 0.000 1.104 615 I CA 1.872 63.040 61.300 -0.219 0.000 1.372 615 I CB -0.773 37.026 38.000 -0.335 0.000 1.057 615 I HN 0.404 nan 8.210 nan 0.000 0.431 616 E N 0.651 120.644 120.200 -0.345 0.000 2.072 616 E HA -0.226 4.124 4.350 -0.001 0.000 0.190 616 E C 2.226 178.655 176.600 -0.284 0.000 0.982 616 E CA 1.018 57.235 56.400 -0.306 0.000 0.803 616 E CB -0.021 29.496 29.700 -0.304 0.000 0.755 616 E HN 0.443 nan 8.360 nan 0.000 0.453 617 K N 0.842 121.045 120.400 -0.330 0.000 2.007 617 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 617 K C 1.500 177.866 176.600 -0.389 0.000 1.047 617 K CA 1.678 57.767 56.287 -0.331 0.000 0.937 617 K CB 0.053 32.341 32.500 -0.353 0.000 0.718 617 K HN 0.011 nan 8.250 nan 0.000 0.438 618 N N 0.013 118.369 118.700 -0.574 0.000 2.368 618 N HA 0.058 4.797 4.740 -0.001 0.000 0.176 618 N C 1.557 176.666 175.510 -0.668 0.000 1.021 618 N CA 0.823 53.523 53.050 -0.584 0.000 0.888 618 N CB 0.230 38.241 38.487 -0.794 0.000 0.995 618 N HN 0.174 nan 8.380 nan 0.000 0.437 619 I N -0.242 119.937 120.570 -0.650 0.000 4.056 619 I HA 0.018 4.187 4.170 -0.001 0.000 0.232 619 I C 1.728 177.668 176.117 -0.295 0.000 1.031 619 I CA 0.399 61.303 61.300 -0.661 0.000 1.571 619 I CB -0.892 36.725 38.000 -0.639 0.000 1.470 619 I HN -0.050 nan 8.210 nan 0.000 0.463 620 T N 1.381 115.799 114.554 -0.227 0.000 2.364 620 T HA -0.256 4.094 4.350 -0.001 0.000 0.234 620 T C 1.365 176.042 174.700 -0.037 0.000 1.421 620 T CA 2.122 64.180 62.100 -0.069 0.000 1.176 620 T CB -1.006 67.814 68.868 -0.080 0.000 0.859 620 T HN 0.626 nan 8.240 nan 0.000 0.407 621 G N 0.698 109.450 108.800 -0.080 0.000 3.375 621 G HA2 0.208 4.167 3.960 -0.001 0.000 0.247 621 G HA3 0.208 4.167 3.960 -0.001 0.000 0.247 621 G C 0.641 175.512 174.900 -0.049 0.000 1.343 621 G CA 0.012 45.082 45.100 -0.050 0.000 1.368 621 G HN 0.322 nan 8.290 nan 0.000 0.549 622 K N 0.554 120.937 120.400 -0.029 0.000 2.665 622 K HA 0.172 4.491 4.320 -0.001 0.000 0.194 622 K C 0.339 177.058 176.600 0.197 0.000 1.135 622 K CA -0.371 55.920 56.287 0.007 0.000 1.089 622 K CB 0.213 32.635 32.500 -0.131 0.000 0.817 622 K HN 0.046 nan 8.250 nan 0.000 0.506 623 D N -0.174 120.345 120.400 0.198 0.000 3.110 623 D HA -0.207 4.432 4.640 -0.001 0.000 0.214 623 D C -1.037 175.412 176.300 0.247 0.000 1.112 623 D CA 0.834 54.960 54.000 0.210 0.000 0.927 623 D CB -1.259 39.631 40.800 0.151 0.000 1.095 623 D HN 0.202 nan 8.370 nan 0.000 0.429 624 Y N -0.054 120.242 120.300 -0.008 0.000 2.409 624 Y HA 0.496 5.046 4.550 -0.001 0.000 0.343 624 Y C 0.339 176.259 175.900 0.034 0.000 0.973 624 Y CA -1.271 56.828 58.100 -0.001 0.000 1.064 624 Y CB 1.311 39.747 38.460 -0.039 0.000 1.207 624 Y HN -0.053 nan 8.280 nan 0.000 0.452 625 L N 5.139 126.448 121.223 0.143 0.000 2.315 625 L HA 0.380 4.719 4.340 -0.001 0.000 0.283 625 L C -1.572 175.448 176.870 0.250 0.000 1.089 625 L CA -0.430 54.503 54.840 0.155 0.000 0.833 625 L CB -0.459 41.630 42.059 0.051 0.000 1.170 625 L HN 0.587 nan 8.230 nan 0.000 0.442 626 Y N 5.741 126.127 120.300 0.144 0.000 2.545 626 Y HA 0.676 5.226 4.550 -0.001 0.000 0.348 626 Y C -1.471 174.556 175.900 0.210 0.000 1.002 626 Y CA -0.899 57.269 58.100 0.112 0.000 1.039 626 Y CB 1.626 40.155 38.460 0.115 0.000 1.271 626 Y HN 0.656 nan 8.280 nan 0.000 0.467 627 Y N 3.577 123.703 120.300 -0.289 0.000 2.534 627 Y HA 0.702 5.251 4.550 -0.001 0.000 0.345 627 Y C -1.917 173.782 175.900 -0.334 0.000 1.031 627 Y CA -2.654 55.381 58.100 -0.109 0.000 1.022 627 Y CB 0.634 39.031 38.460 -0.104 0.000 1.292 627 Y HN 0.558 nan 8.280 nan 0.000 0.459 628 F N 0.986 120.947 119.950 0.017 0.000 2.492 628 F HA 0.509 5.035 4.527 -0.001 0.000 0.327 628 F C 0.260 175.981 175.800 -0.132 0.000 1.079 628 F CA -1.392 56.510 58.000 -0.165 0.000 0.967 628 F CB 1.317 40.126 39.000 -0.318 0.000 1.169 628 F HN 0.739 nan 8.300 nan 0.000 0.472 629 N N 3.474 121.969 118.700 -0.342 0.000 1.916 629 N HA -0.169 4.571 4.740 -0.001 0.000 0.307 629 N C 1.112 176.210 175.510 -0.687 0.000 1.322 629 N CA 0.253 52.859 53.050 -0.740 0.000 0.808 629 N CB 0.548 38.103 38.487 -1.553 0.000 1.056 629 N HN 0.763 nan 8.380 nan 0.000 0.499 630 R N 2.375 122.578 120.500 -0.494 0.000 2.117 630 R HA -0.094 4.246 4.340 -0.001 0.000 0.243 630 R C 1.169 177.290 176.300 -0.297 0.000 1.143 630 R CA 1.163 57.027 56.100 -0.393 0.000 0.968 630 R CB -0.530 29.586 30.300 -0.306 0.000 0.863 630 R HN 0.494 nan 8.270 nan 0.000 0.444 631 S N 0.430 115.921 115.700 -0.347 0.000 2.851 631 S HA 0.056 4.526 4.470 -0.001 0.000 0.227 631 S C 0.045 174.587 174.600 -0.098 0.000 0.958 631 S CA 0.002 58.069 58.200 -0.221 0.000 0.990 631 S CB -0.383 62.673 63.200 -0.239 0.000 0.790 631 S HN 0.258 nan 8.310 nan 0.000 0.509 632 Y N 2.036 122.325 120.300 -0.019 0.000 2.299 632 Y HA 0.192 4.741 4.550 -0.001 0.000 0.326 632 Y C 1.096 177.040 175.900 0.073 0.000 1.164 632 Y CA -0.991 57.150 58.100 0.068 0.000 1.234 632 Y CB 0.523 39.162 38.460 0.299 0.000 1.219 632 Y HN 0.146 nan 8.280 nan 0.000 0.497 633 N N 0.104 118.849 118.700 0.075 0.000 2.972 633 N HA -0.206 4.533 4.740 -0.001 0.000 0.225 633 N C -0.513 175.082 175.510 0.141 0.000 0.883 633 N CA 1.167 54.183 53.050 -0.056 0.000 1.010 633 N CB -0.728 37.874 38.487 0.192 0.000 1.052 633 N HN 0.598 nan 8.380 nan 0.000 0.598 634 K N 0.340 120.818 120.400 0.131 0.000 2.450 634 K HA 0.643 4.962 4.320 -0.001 0.000 0.248 634 K C 0.065 176.813 176.600 0.248 0.000 1.056 634 K CA -0.747 55.655 56.287 0.193 0.000 0.974 634 K CB 0.832 33.377 32.500 0.075 0.000 1.334 634 K HN -0.111 nan 8.250 nan 0.000 0.516 635 I N 1.236 121.898 120.570 0.153 0.000 2.428 635 I HA 0.217 4.387 4.170 -0.001 0.000 0.279 635 I C -0.074 176.044 176.117 0.001 0.000 1.040 635 I CA -0.467 60.903 61.300 0.116 0.000 1.171 635 I CB 0.977 39.014 38.000 0.062 0.000 1.312 635 I HN 0.472 nan 8.210 nan 0.000 0.470 636 A N 7.416 130.215 122.820 -0.036 0.000 2.540 636 A HA 0.334 4.654 4.320 -0.001 0.000 0.239 636 A C -1.536 175.946 177.584 -0.170 0.000 1.061 636 A CA -0.454 51.506 52.037 -0.128 0.000 0.758 636 A CB -0.148 18.753 19.000 -0.166 0.000 0.991 636 A HN 0.538 nan 8.150 nan 0.000 0.502 637 P HA -0.095 nan 4.420 nan 0.000 0.210 637 P C 1.892 178.989 177.300 -0.338 0.000 1.191 637 P CA 1.779 64.745 63.100 -0.224 0.000 0.917 637 P CB -0.099 31.482 31.700 -0.198 0.000 0.778 638 G N 0.326 108.755 108.800 -0.619 0.000 2.679 638 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.222 638 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.222 638 G C 1.036 175.505 174.900 -0.717 0.000 1.164 638 G CA 1.894 46.263 45.100 -1.219 0.000 0.769 638 G HN 0.553 nan 8.290 nan 0.000 0.610 639 N N -1.469 116.937 118.700 -0.490 0.000 2.159 639 N HA 0.198 4.937 4.740 -0.001 0.000 0.217 639 N C 0.079 175.546 175.510 -0.072 0.000 1.223 639 N CA 0.047 53.039 53.050 -0.096 0.000 0.896 639 N CB 0.430 38.953 38.487 0.060 0.000 1.064 639 N HN 0.156 nan 8.380 nan 0.000 0.518 640 K N 0.588 120.917 120.400 -0.118 0.000 3.278 640 K HA -0.201 4.119 4.320 -0.001 0.000 0.270 640 K C -0.882 175.709 176.600 -0.015 0.000 0.955 640 K CA 0.441 56.691 56.287 -0.062 0.000 0.723 640 K CB -1.345 31.128 32.500 -0.045 0.000 1.382 640 K HN 0.550 nan 8.250 nan 0.000 0.461 641 A N 0.995 123.808 122.820 -0.012 0.000 2.330 641 A HA 0.554 4.873 4.320 -0.001 0.000 0.327 641 A C -1.239 176.399 177.584 0.090 0.000 1.155 641 A CA -0.575 51.481 52.037 0.032 0.000 0.803 641 A CB 0.647 19.649 19.000 0.004 0.000 1.208 641 A HN 0.325 nan 8.150 nan 0.000 0.477 642 Y N 3.276 123.566 120.300 -0.017 0.000 2.434 642 Y HA 0.585 5.135 4.550 -0.001 0.000 0.341 642 Y C -0.647 175.261 175.900 0.014 0.000 0.965 642 Y CA -0.771 57.336 58.100 0.012 0.000 1.205 642 Y CB 0.516 38.981 38.460 0.007 0.000 1.121 642 Y HN 0.500 nan 8.280 nan 0.000 0.507 643 I N 6.227 126.661 120.570 -0.225 0.000 2.354 643 I HA 0.219 4.388 4.170 -0.001 0.000 0.286 643 I C -0.271 175.691 176.117 -0.258 0.000 1.007 643 I CA -0.708 60.459 61.300 -0.221 0.000 1.167 643 I CB 1.407 39.392 38.000 -0.025 0.000 1.320 643 I HN 0.562 nan 8.210 nan 0.000 0.458 644 E N 6.357 126.405 120.200 -0.253 0.000 2.338 644 E HA 0.159 4.508 4.350 -0.001 0.000 0.272 644 E C -1.454 175.308 176.600 0.271 0.000 1.029 644 E CA -0.146 56.221 56.400 -0.055 0.000 0.872 644 E CB 1.293 31.001 29.700 0.014 0.000 1.015 644 E HN 0.484 nan 8.360 nan 0.000 0.417 645 W N 4.098 125.362 121.300 -0.060 0.000 3.439 645 W HA 0.122 4.781 4.660 -0.001 0.000 0.323 645 W C -1.070 175.329 176.519 -0.201 0.000 1.174 645 W CA -0.777 56.472 57.345 -0.159 0.000 1.224 645 W CB 1.606 30.883 29.460 -0.305 0.000 1.348 645 W HN 0.511 nan 8.180 nan 0.000 0.498 646 T N 1.862 116.133 114.554 -0.472 0.000 2.765 646 T HA -0.006 4.344 4.350 -0.001 0.000 0.284 646 T C -0.398 174.150 174.700 -0.254 0.000 0.946 646 T CA 0.197 62.101 62.100 -0.327 0.000 1.185 646 T CB 0.825 69.464 68.868 -0.382 0.000 0.887 646 T HN 0.273 nan 8.240 nan 0.000 0.532 647 D N 3.621 124.010 120.400 -0.018 0.000 2.349 647 D HA 0.344 4.984 4.640 -0.001 0.000 0.232 647 D C -1.681 174.682 176.300 0.105 0.000 1.071 647 D CA -2.613 51.465 54.000 0.130 0.000 0.832 647 D CB 1.951 42.965 40.800 0.357 0.000 1.086 647 D HN 0.127 nan 8.370 nan 0.000 0.504 648 P HA -0.065 nan 4.420 nan 0.000 0.213 648 P C 1.680 179.039 177.300 0.099 0.000 1.170 648 P CA 0.926 64.072 63.100 0.078 0.000 0.893 648 P CB 0.207 31.956 31.700 0.082 0.000 0.784 649 I N -1.249 119.399 120.570 0.131 0.000 2.229 649 I HA -0.320 3.849 4.170 -0.001 0.000 0.250 649 I C 1.963 178.143 176.117 0.104 0.000 1.096 649 I CA 1.857 63.225 61.300 0.114 0.000 1.358 649 I CB -1.456 36.619 38.000 0.125 0.000 1.047 649 I HN 0.041 nan 8.210 nan 0.000 0.422 650 T N 0.138 114.764 114.554 0.120 0.000 2.904 650 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 650 T C 1.844 176.597 174.700 0.089 0.000 1.059 650 T CA 1.134 63.301 62.100 0.112 0.000 1.137 650 T CB -0.130 68.819 68.868 0.134 0.000 0.879 650 T HN 0.247 nan 8.240 nan 0.000 0.467 651 K N 0.956 121.401 120.400 0.074 0.000 2.519 651 K HA 0.096 4.415 4.320 -0.001 0.000 0.196 651 K C 1.284 177.913 176.600 0.049 0.000 1.041 651 K CA 0.754 57.072 56.287 0.052 0.000 0.954 651 K CB 0.004 32.524 32.500 0.034 0.000 0.774 651 K HN 0.263 nan 8.250 nan 0.000 0.480 652 A N -0.340 122.513 122.820 0.056 0.000 2.589 652 A HA 0.151 4.470 4.320 -0.001 0.000 0.283 652 A C 1.314 178.924 177.584 0.044 0.000 1.187 652 A CA -0.473 51.592 52.037 0.047 0.000 0.957 652 A CB 0.046 19.076 19.000 0.050 0.000 1.175 652 A HN 0.205 nan 8.150 nan 0.000 0.532 653 K N 0.500 120.933 120.400 0.056 0.000 2.067 653 K HA 0.085 4.404 4.320 -0.001 0.000 0.203 653 K C 1.374 177.988 176.600 0.024 0.000 1.048 653 K CA 1.005 57.326 56.287 0.055 0.000 0.954 653 K CB -0.228 32.331 32.500 0.098 0.000 0.737 653 K HN 0.411 nan 8.250 nan 0.000 0.444 654 I N 1.939 122.533 120.570 0.040 0.000 2.358 654 I HA -0.333 3.836 4.170 -0.001 0.000 0.257 654 I C 0.427 176.517 176.117 -0.046 0.000 1.123 654 I CA 1.583 62.889 61.300 0.010 0.000 1.393 654 I CB -0.457 37.561 38.000 0.031 0.000 1.073 654 I HN 0.352 nan 8.210 nan 0.000 0.437 655 N N -0.416 118.262 118.700 -0.035 0.000 2.338 655 N HA 0.134 4.873 4.740 -0.001 0.000 0.251 655 N C -0.654 174.814 175.510 -0.069 0.000 1.199 655 N CA -0.088 52.928 53.050 -0.057 0.000 0.879 655 N CB 0.887 39.359 38.487 -0.025 0.000 1.159 655 N HN 0.046 nan 8.380 nan 0.000 0.514 656 T N 0.900 115.406 114.554 -0.080 0.000 2.841 656 T HA 0.272 4.621 4.350 -0.001 0.000 0.285 656 T C -0.063 174.549 174.700 -0.146 0.000 0.991 656 T CA -0.499 61.551 62.100 -0.083 0.000 0.966 656 T CB 2.025 70.890 68.868 -0.005 0.000 0.962 656 T HN 0.113 nan 8.240 nan 0.000 0.438 657 I N 6.062 126.474 120.570 -0.263 0.000 2.775 657 I HA 0.133 4.302 4.170 -0.001 0.000 0.290 657 I C -1.575 174.457 176.117 -0.141 0.000 1.203 657 I CA -1.636 59.466 61.300 -0.330 0.000 1.433 657 I CB 1.100 38.689 38.000 -0.686 0.000 1.354 657 I HN 0.407 nan 8.210 nan 0.000 0.579 658 P HA 0.151 nan 4.420 nan 0.000 0.288 658 P C -0.890 176.456 177.300 0.077 0.000 1.291 658 P CA -0.185 62.913 63.100 -0.004 0.000 0.766 658 P CB 0.345 32.040 31.700 -0.009 0.000 1.242 659 T N -2.267 112.322 114.554 0.060 0.000 2.942 659 T HA 0.205 4.554 4.350 -0.001 0.000 0.289 659 T C 1.331 176.110 174.700 0.132 0.000 1.044 659 T CA -0.425 61.708 62.100 0.055 0.000 1.023 659 T CB 1.107 69.916 68.868 -0.097 0.000 1.123 659 T HN 0.403 nan 8.240 nan 0.000 0.512 660 S N 0.917 116.701 115.700 0.139 0.000 2.377 660 S HA -0.225 4.244 4.470 -0.001 0.000 0.224 660 S C 2.288 177.003 174.600 0.191 0.000 1.042 660 S CA 1.894 60.202 58.200 0.178 0.000 1.086 660 S CB -0.914 62.366 63.200 0.133 0.000 0.995 660 S HN 0.827 nan 8.310 nan 0.000 0.428 661 A N 0.588 123.469 122.820 0.102 0.000 2.015 661 A HA -0.025 4.295 4.320 -0.001 0.000 0.219 661 A C 2.065 179.688 177.584 0.066 0.000 1.163 661 A CA 1.586 53.661 52.037 0.064 0.000 0.646 661 A CB -0.720 18.293 19.000 0.022 0.000 0.806 661 A HN 0.782 nan 8.150 nan 0.000 0.448 662 E N -1.347 118.903 120.200 0.084 0.000 2.204 662 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 662 E C 1.600 178.308 176.600 0.181 0.000 0.989 662 E CA 1.024 57.479 56.400 0.091 0.000 0.824 662 E CB -0.166 29.579 29.700 0.075 0.000 0.756 662 E HN 0.611 nan 8.360 nan 0.000 0.477 663 F N 1.384 121.364 119.950 0.051 0.000 2.074 663 F HA -0.040 4.486 4.527 -0.001 0.000 0.290 663 F C 2.014 177.852 175.800 0.062 0.000 1.118 663 F CA 1.147 59.203 58.000 0.093 0.000 1.199 663 F CB -0.666 38.375 39.000 0.069 0.000 1.012 663 F HN -0.080 nan 8.300 nan 0.000 0.472 664 I N 0.301 120.797 120.570 -0.124 0.000 2.236 664 I HA -0.380 3.789 4.170 -0.001 0.000 0.249 664 I C 2.299 178.293 176.117 -0.205 0.000 1.102 664 I CA 1.424 62.574 61.300 -0.251 0.000 1.365 664 I CB -0.510 37.452 38.000 -0.063 0.000 1.051 664 I HN 0.164 nan 8.210 nan 0.000 0.420 665 K N 1.354 121.685 120.400 -0.115 0.000 1.978 665 K HA -0.172 4.148 4.320 -0.001 0.000 0.214 665 K C 1.622 178.100 176.600 -0.203 0.000 1.049 665 K CA 1.931 58.148 56.287 -0.118 0.000 0.939 665 K CB -0.488 31.976 32.500 -0.061 0.000 0.721 665 K HN 0.218 nan 8.250 nan 0.000 0.441 666 N N 0.095 118.659 118.700 -0.227 0.000 2.417 666 N HA -0.145 4.594 4.740 -0.001 0.000 0.187 666 N C 1.298 176.427 175.510 -0.634 0.000 1.027 666 N CA 0.880 53.658 53.050 -0.453 0.000 0.891 666 N CB -0.075 38.049 38.487 -0.605 0.000 0.956 666 N HN 0.112 nan 8.380 nan 0.000 0.442 667 L N -0.633 120.285 121.223 -0.508 0.000 2.004 667 L HA -0.079 4.261 4.340 -0.001 0.000 0.205 667 L C 2.485 179.181 176.870 -0.291 0.000 1.089 667 L CA 1.077 55.649 54.840 -0.447 0.000 0.756 667 L CB -1.038 40.826 42.059 -0.324 0.000 0.900 667 L HN 0.245 nan 8.230 nan 0.000 0.440 668 S N -0.302 115.273 115.700 -0.209 0.000 2.422 668 S HA -0.344 4.125 4.470 -0.001 0.000 0.241 668 S C 2.193 176.696 174.600 -0.162 0.000 1.076 668 S CA 2.246 60.358 58.200 -0.148 0.000 1.066 668 S CB -0.575 62.552 63.200 -0.123 0.000 0.890 668 S HN 0.503 nan 8.310 nan 0.000 0.465 669 S N 1.726 117.294 115.700 -0.220 0.000 2.426 669 S HA -0.133 4.336 4.470 -0.001 0.000 0.220 669 S C 1.866 176.339 174.600 -0.213 0.000 1.040 669 S CA 1.874 59.943 58.200 -0.219 0.000 1.094 669 S CB -1.076 61.956 63.200 -0.280 0.000 1.072 669 S HN 0.681 nan 8.310 nan 0.000 0.415 670 I N 1.561 121.944 120.570 -0.313 0.000 2.181 670 I HA -0.286 3.883 4.170 -0.001 0.000 0.247 670 I C 2.865 178.947 176.117 -0.057 0.000 1.081 670 I CA 1.953 63.102 61.300 -0.251 0.000 1.340 670 I CB -0.781 36.883 38.000 -0.561 0.000 1.036 670 I HN 0.388 nan 8.210 nan 0.000 0.417 671 R N 1.158 121.646 120.500 -0.021 0.000 2.148 671 R HA -0.215 4.124 4.340 -0.001 0.000 0.230 671 R C 2.389 178.670 176.300 -0.032 0.000 1.120 671 R CA 1.750 57.856 56.100 0.010 0.000 0.902 671 R CB -0.309 29.966 30.300 -0.041 0.000 0.839 671 R HN 0.118 nan 8.270 nan 0.000 0.431 672 R N 0.391 120.854 120.500 -0.061 0.000 2.417 672 R HA -0.062 4.277 4.340 -0.001 0.000 0.220 672 R C 1.436 177.704 176.300 -0.053 0.000 1.128 672 R CA 0.787 56.852 56.100 -0.059 0.000 1.048 672 R CB -0.475 29.784 30.300 -0.068 0.000 0.835 672 R HN 0.264 nan 8.270 nan 0.000 0.483 673 S N -1.081 114.591 115.700 -0.047 0.000 3.169 673 S HA 0.065 4.534 4.470 -0.001 0.000 0.174 673 S C -0.122 174.464 174.600 -0.023 0.000 0.696 673 S CA 0.197 58.371 58.200 -0.044 0.000 0.819 673 S CB 0.027 63.190 63.200 -0.062 0.000 0.867 673 S HN 0.378 nan 8.310 nan 0.000 0.680 674 S N 2.773 118.470 115.700 -0.004 0.000 2.465 674 S HA 0.268 4.738 4.470 -0.001 0.000 0.280 674 S C 0.352 174.958 174.600 0.011 0.000 1.232 674 S CA -0.444 57.763 58.200 0.013 0.000 1.066 674 S CB 0.251 63.479 63.200 0.045 0.000 0.929 674 S HN 0.479 nan 8.310 nan 0.000 0.494 675 N N 1.839 120.532 118.700 -0.011 0.000 2.666 675 N HA -0.034 4.706 4.740 -0.001 0.000 0.194 675 N C 0.443 175.931 175.510 -0.036 0.000 1.220 675 N CA 0.598 53.634 53.050 -0.024 0.000 0.928 675 N CB -0.335 38.134 38.487 -0.029 0.000 0.997 675 N HN 0.860 nan 8.380 nan 0.000 0.447 676 V N -0.015 119.879 119.914 -0.033 0.000 2.407 676 V HA 0.646 4.766 4.120 -0.001 0.000 0.278 676 V C 1.037 177.048 176.094 -0.138 0.000 1.037 676 V CA -0.615 61.633 62.300 -0.086 0.000 0.900 676 V CB 1.151 32.918 31.823 -0.093 0.000 0.983 676 V HN 0.035 nan 8.190 nan 0.000 0.459 677 G N 1.970 110.647 108.800 -0.206 0.000 2.580 677 G HA2 0.447 4.407 3.960 -0.001 0.000 0.278 677 G HA3 0.447 4.407 3.960 -0.001 0.000 0.278 677 G C 0.916 175.534 174.900 -0.470 0.000 1.212 677 G CA 0.407 45.347 45.100 -0.267 0.000 0.939 677 G HN 1.262 nan 8.290 nan 0.000 0.513 678 V N -0.963 118.716 119.914 -0.392 0.000 2.720 678 V HA 0.029 4.148 4.120 -0.001 0.000 0.256 678 V C 0.609 176.675 176.094 -0.047 0.000 1.082 678 V CA 1.543 63.676 62.300 -0.278 0.000 1.101 678 V CB -2.135 29.827 31.823 0.232 0.000 0.693 678 V HN 0.668 nan 8.190 nan 0.000 0.479 679 Y N -1.337 118.910 120.300 -0.088 0.000 2.433 679 Y HA 0.737 5.286 4.550 -0.001 0.000 0.337 679 Y C -0.629 175.247 175.900 -0.041 0.000 1.026 679 Y CA -2.124 55.945 58.100 -0.051 0.000 1.037 679 Y CB 1.206 39.651 38.460 -0.025 0.000 1.245 679 Y HN -0.105 nan 8.280 nan 0.000 0.443 680 K N 1.836 122.270 120.400 0.056 0.000 2.087 680 K HA 0.203 4.522 4.320 -0.001 0.000 0.255 680 K C -0.907 175.764 176.600 0.119 0.000 0.988 680 K CA -0.727 55.563 56.287 0.005 0.000 0.915 680 K CB 0.974 33.469 32.500 -0.008 0.000 1.043 680 K HN 0.916 nan 8.250 nan 0.000 0.457 681 D N 1.889 122.330 120.400 0.067 0.000 2.545 681 D HA 0.050 4.689 4.640 -0.001 0.000 0.227 681 D C -0.630 175.713 176.300 0.071 0.000 1.150 681 D CA 0.211 54.269 54.000 0.096 0.000 1.046 681 D CB -0.001 40.831 40.800 0.054 0.000 1.098 681 D HN 0.515 nan 8.370 nan 0.000 0.502 682 S N 0.431 116.184 115.700 0.088 0.000 2.911 682 S HA 0.698 5.167 4.470 -0.001 0.000 0.319 682 S C 1.021 175.658 174.600 0.061 0.000 1.154 682 S CA -0.321 57.915 58.200 0.060 0.000 0.857 682 S CB 1.253 64.482 63.200 0.047 0.000 1.279 682 S HN 0.131 nan 8.310 nan 0.000 0.593 683 G N -0.895 107.927 108.800 0.036 0.000 3.044 683 G HA2 0.344 4.303 3.960 -0.001 0.000 0.223 683 G HA3 0.344 4.303 3.960 -0.001 0.000 0.223 683 G C 0.363 175.269 174.900 0.009 0.000 1.123 683 G CA 0.469 45.580 45.100 0.018 0.000 0.765 683 G HN 1.187 nan 8.290 nan 0.000 0.546 684 D N 1.658 122.073 120.400 0.025 0.000 2.383 684 D HA 0.212 4.852 4.640 -0.001 0.000 0.275 684 D C 1.382 177.696 176.300 0.023 0.000 1.344 684 D CA -0.247 53.765 54.000 0.020 0.000 0.984 684 D CB 0.207 41.024 40.800 0.029 0.000 1.104 684 D HN -0.002 nan 8.370 nan 0.000 0.524 685 K N 1.264 121.650 120.400 -0.024 0.000 2.520 685 K HA -0.104 4.215 4.320 -0.001 0.000 0.197 685 K C 0.867 177.481 176.600 0.024 0.000 1.044 685 K CA 0.605 56.851 56.287 -0.069 0.000 0.938 685 K CB 0.152 32.576 32.500 -0.128 0.000 0.767 685 K HN 0.578 nan 8.250 nan 0.000 0.481 686 D N 0.089 120.515 120.400 0.044 0.000 2.271 686 D HA -0.075 4.564 4.640 -0.001 0.000 0.206 686 D C 1.801 178.156 176.300 0.092 0.000 0.967 686 D CA 0.526 54.562 54.000 0.060 0.000 0.867 686 D CB 0.353 41.172 40.800 0.032 0.000 0.960 686 D HN 0.139 nan 8.370 nan 0.000 0.509 687 E N 0.177 120.441 120.200 0.106 0.000 2.006 687 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 687 E C 1.904 178.607 176.600 0.172 0.000 0.993 687 E CA 0.719 57.195 56.400 0.126 0.000 0.808 687 E CB -0.612 29.165 29.700 0.129 0.000 0.764 687 E HN 0.303 nan 8.360 nan 0.000 0.449 688 F N 0.660 120.606 119.950 -0.007 0.000 2.184 688 F HA -0.282 4.244 4.527 -0.001 0.000 0.301 688 F C 1.924 177.687 175.800 -0.061 0.000 1.076 688 F CA 1.584 59.551 58.000 -0.055 0.000 1.295 688 F CB -0.240 38.734 39.000 -0.043 0.000 1.026 688 F HN 0.130 nan 8.300 nan 0.000 0.494 689 A N 0.759 123.826 122.820 0.411 0.000 1.892 689 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 689 A C 2.249 179.849 177.584 0.027 0.000 1.188 689 A CA 2.167 54.344 52.037 0.234 0.000 0.631 689 A CB -0.764 18.324 19.000 0.146 0.000 0.822 689 A HN 0.532 nan 8.150 nan 0.000 0.447 690 K N -0.511 119.902 120.400 0.022 0.000 1.984 690 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 690 K C 2.277 178.827 176.600 -0.083 0.000 1.046 690 K CA 1.463 57.743 56.287 -0.010 0.000 0.934 690 K CB -0.243 32.283 32.500 0.043 0.000 0.717 690 K HN 0.513 nan 8.250 nan 0.000 0.438 691 K N 1.525 121.808 120.400 -0.194 0.000 1.990 691 K HA -0.312 4.007 4.320 -0.001 0.000 0.225 691 K C 2.061 178.400 176.600 -0.436 0.000 1.053 691 K CA 2.221 58.185 56.287 -0.539 0.000 0.982 691 K CB -0.212 31.719 32.500 -0.948 0.000 0.734 691 K HN -0.061 nan 8.250 nan 0.000 0.448 692 E N 0.642 120.495 120.200 -0.578 0.000 2.113 692 E HA -0.240 4.109 4.350 -0.001 0.000 0.210 692 E C 1.995 178.446 176.600 -0.248 0.000 1.040 692 E CA 2.057 58.167 56.400 -0.482 0.000 0.847 692 E CB -0.691 28.671 29.700 -0.564 0.000 0.755 692 E HN 0.371 nan 8.360 nan 0.000 0.459 693 S N -1.239 114.355 115.700 -0.177 0.000 2.419 693 S HA -0.141 4.329 4.470 -0.001 0.000 0.233 693 S C 1.980 176.535 174.600 -0.075 0.000 1.016 693 S CA 1.401 59.531 58.200 -0.117 0.000 0.974 693 S CB -0.378 62.769 63.200 -0.089 0.000 0.786 693 S HN 0.323 nan 8.310 nan 0.000 0.492 694 V N -0.279 119.636 119.914 0.002 0.000 2.407 694 V HA 0.118 4.237 4.120 -0.001 0.000 0.245 694 V C 2.206 178.367 176.094 0.112 0.000 1.041 694 V CA 1.839 64.247 62.300 0.181 0.000 1.040 694 V CB -1.039 30.973 31.823 0.315 0.000 0.671 694 V HN 0.407 nan 8.190 nan 0.000 0.455 695 K N 0.483 120.877 120.400 -0.010 0.000 2.218 695 K HA -0.222 4.098 4.320 -0.001 0.000 0.205 695 K C 2.210 178.768 176.600 -0.069 0.000 1.046 695 K CA 1.905 58.172 56.287 -0.033 0.000 0.933 695 K CB -0.159 32.274 32.500 -0.113 0.000 0.728 695 K HN 0.559 nan 8.250 nan 0.000 0.454 696 K N -0.080 120.231 120.400 -0.148 0.000 2.228 696 K HA -0.009 4.310 4.320 -0.001 0.000 0.202 696 K C 1.940 178.212 176.600 -0.547 0.000 1.051 696 K CA 0.868 56.966 56.287 -0.315 0.000 0.960 696 K CB 0.098 32.401 32.500 -0.329 0.000 0.743 696 K HN 0.173 nan 8.250 nan 0.000 0.458 697 I N 0.777 121.151 120.570 -0.326 0.000 2.333 697 I HA -0.129 4.040 4.170 -0.001 0.000 0.246 697 I C 1.845 177.849 176.117 -0.187 0.000 1.106 697 I CA 0.528 61.618 61.300 -0.349 0.000 1.411 697 I CB -0.123 37.724 38.000 -0.255 0.000 1.082 697 I HN -0.002 nan 8.210 nan 0.000 0.420 698 A N 0.582 123.414 122.820 0.020 0.000 2.215 698 A HA 0.196 4.516 4.320 -0.001 0.000 0.208 698 A C 1.746 179.379 177.584 0.082 0.000 1.296 698 A CA 1.153 53.279 52.037 0.148 0.000 0.918 698 A CB -1.139 18.027 19.000 0.277 0.000 0.806 698 A HN 0.512 nan 8.150 nan 0.000 0.490 699 G N -1.901 106.914 108.800 0.026 0.000 2.868 699 G HA2 0.126 4.085 3.960 -0.001 0.000 0.201 699 G HA3 0.126 4.085 3.960 -0.001 0.000 0.201 699 G C 1.247 176.280 174.900 0.221 0.000 1.130 699 G CA 0.396 45.555 45.100 0.100 0.000 0.777 699 G HN 0.476 nan 8.290 nan 0.000 0.680 700 Y N 1.069 121.376 120.300 0.012 0.000 2.040 700 Y HA -0.209 4.340 4.550 -0.001 0.000 0.275 700 Y C 2.903 178.825 175.900 0.037 0.000 1.171 700 Y CA 0.808 58.910 58.100 0.003 0.000 1.123 700 Y CB -0.377 38.057 38.460 -0.044 0.000 0.963 700 Y HN 0.037 nan 8.280 nan 0.000 0.493 701 L N -0.608 120.721 121.223 0.177 0.000 2.013 701 L HA -0.306 4.034 4.340 -0.001 0.000 0.212 701 L C 2.743 179.753 176.870 0.234 0.000 1.073 701 L CA 1.575 56.497 54.840 0.138 0.000 0.753 701 L CB -0.681 41.392 42.059 0.023 0.000 0.890 701 L HN 0.164 nan 8.230 nan 0.000 0.432 702 S N -0.664 115.153 115.700 0.195 0.000 2.419 702 S HA -0.170 4.300 4.470 -0.001 0.000 0.233 702 S C 1.435 176.152 174.600 0.195 0.000 1.016 702 S CA 1.471 59.790 58.200 0.198 0.000 0.974 702 S CB -0.238 63.048 63.200 0.143 0.000 0.786 702 S HN 0.424 nan 8.310 nan 0.000 0.492 703 D N -0.492 120.014 120.400 0.176 0.000 2.249 703 D HA 0.017 4.657 4.640 -0.001 0.000 0.205 703 D C 1.364 177.709 176.300 0.076 0.000 0.962 703 D CA 0.564 54.631 54.000 0.112 0.000 0.860 703 D CB -0.448 40.407 40.800 0.091 0.000 0.955 703 D HN 0.558 nan 8.370 nan 0.000 0.505 704 Y N 0.725 121.015 120.300 -0.017 0.000 2.070 704 Y HA -0.257 4.292 4.550 -0.001 0.000 0.280 704 Y C 0.549 176.321 175.900 -0.214 0.000 1.148 704 Y CA 1.487 59.489 58.100 -0.163 0.000 1.125 704 Y CB -0.323 37.962 38.460 -0.291 0.000 0.975 704 Y HN -0.071 nan 8.280 nan 0.000 0.492 705 Y N 1.717 122.197 120.300 0.300 0.000 2.724 705 Y HA 0.099 4.648 4.550 -0.001 0.000 0.354 705 Y C -0.012 175.930 175.900 0.070 0.000 1.270 705 Y CA -0.470 57.743 58.100 0.188 0.000 1.902 705 Y CB -0.761 37.804 38.460 0.176 0.000 1.981 705 Y HN 0.091 nan 8.280 nan 0.000 0.428 706 N N 0.108 118.854 118.700 0.077 0.000 2.419 706 N HA 0.083 4.823 4.740 -0.001 0.000 0.277 706 N C 0.628 176.144 175.510 0.011 0.000 1.006 706 N CA 0.034 53.103 53.050 0.031 0.000 0.923 706 N CB 1.770 40.233 38.487 -0.040 0.000 1.140 706 N HN 0.202 nan 8.380 nan 0.000 0.488 707 S N 2.194 117.915 115.700 0.035 0.000 2.481 707 S HA -0.005 4.464 4.470 -0.001 0.000 0.231 707 S C 1.475 176.125 174.600 0.082 0.000 0.996 707 S CA 0.822 59.047 58.200 0.041 0.000 0.942 707 S CB -0.025 63.191 63.200 0.026 0.000 0.768 707 S HN 0.723 nan 8.310 nan 0.000 0.520 708 A N 1.219 124.046 122.820 0.012 0.000 2.239 708 A HA 0.079 4.399 4.320 -0.001 0.000 0.209 708 A C 1.500 178.888 177.584 -0.326 0.000 1.171 708 A CA 0.390 52.398 52.037 -0.048 0.000 0.768 708 A CB -0.616 18.302 19.000 -0.136 0.000 0.790 708 A HN 0.594 nan 8.150 nan 0.000 0.478 709 N N -0.075 118.461 118.700 -0.273 0.000 2.635 709 N HA -0.171 4.568 4.740 -0.001 0.000 0.191 709 N C 1.503 176.848 175.510 -0.276 0.000 1.155 709 N CA 0.721 53.505 53.050 -0.444 0.000 0.927 709 N CB -0.132 38.229 38.487 -0.209 0.000 0.976 709 N HN 0.852 nan 8.380 nan 0.000 0.448 710 H N 1.000 119.945 119.070 -0.208 0.000 2.403 710 H HA -0.054 4.501 4.556 -0.001 0.000 0.298 710 H C 1.899 177.223 175.328 -0.006 0.000 1.059 710 H CA 0.634 56.641 56.048 -0.070 0.000 1.363 710 H CB -0.761 28.978 29.762 -0.038 0.000 1.410 710 H HN 0.317 nan 8.280 nan 0.000 0.528 711 I N -1.963 118.180 120.570 -0.713 0.000 3.384 711 I HA 0.087 4.257 4.170 -0.001 0.000 0.310 711 I C -0.116 176.179 176.117 0.297 0.000 1.279 711 I CA 0.440 61.564 61.300 -0.292 0.000 1.283 711 I CB -0.944 36.866 38.000 -0.316 0.000 1.011 711 I HN -0.033 nan 8.210 nan 0.000 0.566 712 F N 0.489 120.380 119.950 -0.097 0.000 2.746 712 F HA 0.606 5.133 4.527 -0.001 0.000 0.378 712 F C 0.521 176.317 175.800 -0.006 0.000 1.165 712 F CA -1.313 56.664 58.000 -0.039 0.000 1.089 712 F CB 1.723 40.706 39.000 -0.028 0.000 1.439 712 F HN 0.028 nan 8.300 nan 0.000 0.516 713 S N -0.233 115.589 115.700 0.202 0.000 2.536 713 S HA 0.269 4.739 4.470 -0.001 0.000 0.287 713 S C -0.083 174.583 174.600 0.110 0.000 1.101 713 S CA -0.784 57.488 58.200 0.120 0.000 0.950 713 S CB 2.114 65.355 63.200 0.068 0.000 1.056 713 S HN 0.558 nan 8.310 nan 0.000 0.481 714 Q N 1.734 121.591 119.800 0.096 0.000 2.135 714 Q HA -0.313 4.026 4.340 -0.001 0.000 0.218 714 Q C 1.823 177.875 176.000 0.088 0.000 1.058 714 Q CA 2.778 58.635 55.803 0.089 0.000 0.926 714 Q CB -0.934 27.853 28.738 0.082 0.000 1.065 714 Q HN 1.031 nan 8.270 nan 0.000 0.433 715 E N -0.047 120.196 120.200 0.071 0.000 2.048 715 E HA -0.301 4.048 4.350 -0.001 0.000 0.202 715 E C 1.817 178.463 176.600 0.077 0.000 1.021 715 E CA 2.213 58.651 56.400 0.063 0.000 0.825 715 E CB -0.253 29.466 29.700 0.033 0.000 0.756 715 E HN 0.264 nan 8.360 nan 0.000 0.454 716 K N 0.721 121.162 120.400 0.069 0.000 1.991 716 K HA -0.223 4.096 4.320 -0.001 0.000 0.212 716 K C 1.996 178.691 176.600 0.158 0.000 1.049 716 K CA 2.244 58.581 56.287 0.082 0.000 0.932 716 K CB -0.182 32.315 32.500 -0.005 0.000 0.717 716 K HN 0.070 nan 8.250 nan 0.000 0.441 717 K N 0.262 120.769 120.400 0.179 0.000 2.049 717 K HA -0.256 4.063 4.320 -0.001 0.000 0.219 717 K C 2.249 178.901 176.600 0.086 0.000 1.056 717 K CA 2.429 58.801 56.287 0.141 0.000 0.946 717 K CB -0.368 32.189 32.500 0.096 0.000 0.723 717 K HN 0.233 nan 8.250 nan 0.000 0.453 718 R N 1.143 121.698 120.500 0.092 0.000 2.119 718 R HA -0.191 4.148 4.340 -0.001 0.000 0.246 718 R C 2.320 178.719 176.300 0.165 0.000 1.146 718 R CA 1.760 57.920 56.100 0.100 0.000 0.962 718 R CB -0.315 30.052 30.300 0.110 0.000 0.863 718 R HN 0.239 nan 8.270 nan 0.000 0.442 719 K N 0.549 121.079 120.400 0.216 0.000 1.974 719 K HA -0.091 4.228 4.320 -0.001 0.000 0.211 719 K C 2.052 178.889 176.600 0.395 0.000 1.039 719 K CA 1.047 57.562 56.287 0.380 0.000 0.947 719 K CB -0.473 32.227 32.500 0.334 0.000 0.735 719 K HN -0.023 nan 8.250 nan 0.000 0.441 720 I N 1.434 122.210 120.570 0.343 0.000 2.285 720 I HA -0.392 3.777 4.170 -0.001 0.000 0.253 720 I C 1.691 177.859 176.117 0.086 0.000 1.104 720 I CA 1.728 63.172 61.300 0.240 0.000 1.372 720 I CB -0.124 38.013 38.000 0.228 0.000 1.057 720 I HN 0.093 nan 8.210 nan 0.000 0.431 721 S N 0.050 115.754 115.700 0.007 0.000 2.371 721 S HA 0.095 4.565 4.470 -0.001 0.000 0.221 721 S C 1.926 176.513 174.600 -0.023 0.000 1.036 721 S CA 1.186 59.254 58.200 -0.220 0.000 0.965 721 S CB -0.303 62.643 63.200 -0.423 0.000 0.845 721 S HN 0.503 nan 8.310 nan 0.000 0.475 722 I N 0.594 121.234 120.570 0.117 0.000 2.399 722 I HA -0.213 3.956 4.170 -0.001 0.000 0.254 722 I C 1.956 178.082 176.117 0.015 0.000 1.146 722 I CA 1.233 62.632 61.300 0.166 0.000 1.412 722 I CB -0.204 38.011 38.000 0.358 0.000 1.076 722 I HN 0.221 nan 8.210 nan 0.000 0.432 723 F N 1.280 121.123 119.950 -0.177 0.000 2.147 723 F HA -0.019 4.507 4.527 -0.001 0.000 0.291 723 F C 2.644 178.349 175.800 -0.158 0.000 1.093 723 F CA 1.161 58.985 58.000 -0.294 0.000 1.263 723 F CB -0.255 38.587 39.000 -0.264 0.000 1.036 723 F HN -0.199 nan 8.300 nan 0.000 0.481 724 R N 0.362 120.817 120.500 -0.075 0.000 2.117 724 R HA -0.172 4.167 4.340 -0.001 0.000 0.243 724 R C 2.342 178.595 176.300 -0.079 0.000 1.143 724 R CA 1.278 57.301 56.100 -0.127 0.000 0.968 724 R CB -1.543 28.702 30.300 -0.092 0.000 0.863 724 R HN 0.489 nan 8.270 nan 0.000 0.444 725 G N 1.489 110.304 108.800 0.026 0.000 2.524 725 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.215 725 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.215 725 G C 1.561 176.435 174.900 -0.043 0.000 1.239 725 G CA 0.687 45.840 45.100 0.087 0.000 0.798 725 G HN 0.186 nan 8.290 nan 0.000 0.557 726 I N 0.642 121.139 120.570 -0.123 0.000 2.143 726 I HA -0.347 3.822 4.170 -0.001 0.000 0.245 726 I C 3.123 179.098 176.117 -0.236 0.000 1.068 726 I CA 1.683 62.895 61.300 -0.146 0.000 1.326 726 I CB -0.323 37.550 38.000 -0.212 0.000 1.028 726 I HN 0.310 nan 8.210 nan 0.000 0.412 727 Q N 0.213 119.746 119.800 -0.445 0.000 2.082 727 Q HA -0.318 4.022 4.340 -0.001 0.000 0.211 727 Q C 2.413 178.462 176.000 0.080 0.000 1.002 727 Q CA 2.215 57.733 55.803 -0.475 0.000 0.868 727 Q CB -0.414 27.745 28.738 -0.965 0.000 0.931 727 Q HN 0.671 nan 8.270 nan 0.000 0.414 728 A N 0.596 123.540 122.820 0.207 0.000 1.841 728 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 728 A C 1.924 179.539 177.584 0.053 0.000 1.199 728 A CA 1.658 53.835 52.037 0.233 0.000 0.621 728 A CB -1.349 17.701 19.000 0.084 0.000 0.835 728 A HN 0.549 nan 8.150 nan 0.000 0.445 729 Y N 1.352 121.581 120.300 -0.118 0.000 2.173 729 Y HA -0.324 4.226 4.550 -0.001 0.000 0.282 729 Y C 2.359 178.174 175.900 -0.142 0.000 1.192 729 Y CA 2.259 60.268 58.100 -0.151 0.000 1.176 729 Y CB -0.225 38.140 38.460 -0.158 0.000 0.969 729 Y HN 0.501 nan 8.280 nan 0.000 0.519 730 N N 0.328 119.041 118.700 0.023 0.000 2.022 730 N HA -0.224 4.515 4.740 -0.001 0.000 0.195 730 N C 1.689 177.125 175.510 -0.123 0.000 1.063 730 N CA 1.677 54.681 53.050 -0.077 0.000 0.851 730 N CB -0.440 37.787 38.487 -0.432 0.000 1.050 730 N HN 0.381 nan 8.380 nan 0.000 0.425 731 E N 0.623 120.765 120.200 -0.097 0.000 2.352 731 E HA -0.173 4.176 4.350 -0.001 0.000 0.203 731 E C 1.893 178.385 176.600 -0.180 0.000 1.024 731 E CA 0.466 56.788 56.400 -0.129 0.000 0.842 731 E CB -0.088 29.493 29.700 -0.197 0.000 0.753 731 E HN 0.492 nan 8.360 nan 0.000 0.508 732 I N -0.070 120.377 120.570 -0.206 0.000 2.277 732 I HA -0.160 4.009 4.170 -0.001 0.000 0.243 732 I C 2.375 178.311 176.117 -0.303 0.000 1.094 732 I CA 0.743 61.895 61.300 -0.247 0.000 1.393 732 I CB -1.163 36.702 38.000 -0.225 0.000 1.078 732 I HN 0.045 nan 8.210 nan 0.000 0.417 733 E N 1.634 121.644 120.200 -0.315 0.000 2.097 733 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 733 E C 1.913 178.430 176.600 -0.138 0.000 1.000 733 E CA 1.760 58.028 56.400 -0.220 0.000 0.804 733 E CB -0.206 29.434 29.700 -0.100 0.000 0.740 733 E HN 0.361 nan 8.360 nan 0.000 0.454 734 N N -0.842 117.782 118.700 -0.126 0.000 2.007 734 N HA -0.166 4.573 4.740 -0.001 0.000 0.197 734 N C 1.672 177.100 175.510 -0.138 0.000 1.050 734 N CA 2.076 55.068 53.050 -0.097 0.000 0.856 734 N CB -0.327 38.110 38.487 -0.084 0.000 1.050 734 N HN 0.066 nan 8.380 nan 0.000 0.423 735 V N 0.560 120.340 119.914 -0.223 0.000 2.343 735 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 735 V C 2.218 178.145 176.094 -0.278 0.000 1.051 735 V CA 1.193 63.326 62.300 -0.278 0.000 1.036 735 V CB -0.638 30.905 31.823 -0.468 0.000 0.654 735 V HN 0.361 nan 8.190 nan 0.000 0.451 736 L N -0.073 120.959 121.223 -0.319 0.000 2.351 736 L HA -0.128 4.211 4.340 -0.001 0.000 0.220 736 L C 1.847 178.661 176.870 -0.093 0.000 1.127 736 L CA 1.881 56.602 54.840 -0.197 0.000 0.786 736 L CB -0.449 41.516 42.059 -0.157 0.000 0.914 736 L HN 0.200 nan 8.230 nan 0.000 0.443 737 K N -1.933 118.416 120.400 -0.085 0.000 2.478 737 K HA 0.233 4.552 4.320 -0.001 0.000 0.205 737 K C 1.435 178.013 176.600 -0.036 0.000 1.033 737 K CA 0.246 56.509 56.287 -0.039 0.000 1.091 737 K CB 0.814 33.302 32.500 -0.020 0.000 0.844 737 K HN 0.186 nan 8.250 nan 0.000 0.507 738 S N 0.928 116.594 115.700 -0.057 0.000 2.288 738 S HA 0.107 4.576 4.470 -0.001 0.000 0.198 738 S C 0.751 175.339 174.600 -0.021 0.000 1.021 738 S CA 0.931 59.106 58.200 -0.042 0.000 0.973 738 S CB 0.453 63.614 63.200 -0.065 0.000 0.946 738 S HN 0.280 nan 8.310 nan 0.000 0.470 739 K N -0.595 119.792 120.400 -0.021 0.000 2.137 739 K HA 0.342 4.662 4.320 -0.001 0.000 0.251 739 K C -1.293 175.301 176.600 -0.010 0.000 1.048 739 K CA -0.651 55.631 56.287 -0.009 0.000 0.873 739 K CB 0.725 33.225 32.500 0.000 0.000 1.442 739 K HN -0.008 nan 8.250 nan 0.000 0.467 740 Q N 2.307 122.104 119.800 -0.006 0.000 2.962 740 Q HA 0.161 4.501 4.340 -0.001 0.000 0.251 740 Q C -0.214 175.776 176.000 -0.016 0.000 1.380 740 Q CA 0.165 55.965 55.803 -0.005 0.000 0.926 740 Q CB -1.332 27.404 28.738 -0.003 0.000 1.704 740 Q HN 0.368 nan 8.270 nan 0.000 0.563 741 I N -1.585 118.977 120.570 -0.015 0.000 2.598 741 I HA 0.301 4.471 4.170 -0.001 0.000 0.284 741 I C 0.547 176.665 176.117 0.000 0.000 1.140 741 I CA -0.797 60.483 61.300 -0.034 0.000 1.420 741 I CB 0.462 38.472 38.000 0.016 0.000 1.387 741 I HN 0.201 nan 8.210 nan 0.000 0.553 742 A N 8.675 131.457 122.820 -0.062 0.000 2.616 742 A HA 0.057 4.377 4.320 -0.001 0.000 0.234 742 A C -0.829 176.836 177.584 0.136 0.000 1.024 742 A CA -0.564 51.486 52.037 0.021 0.000 0.758 742 A CB -0.600 18.401 19.000 0.001 0.000 0.939 742 A HN 0.822 nan 8.150 nan 0.000 0.510 743 P HA -0.199 nan 4.420 nan 0.000 0.226 743 P C 0.766 178.163 177.300 0.162 0.000 1.146 743 P CA 1.516 64.690 63.100 0.124 0.000 0.773 743 P CB 0.155 31.902 31.700 0.079 0.000 0.772 744 E N -0.610 119.713 120.200 0.205 0.000 2.076 744 E HA -0.159 4.190 4.350 -0.001 0.000 0.190 744 E C 1.804 178.547 176.600 0.238 0.000 0.979 744 E CA 1.095 57.605 56.400 0.184 0.000 0.807 744 E CB -1.183 28.619 29.700 0.170 0.000 0.761 744 E HN 0.291 nan 8.360 nan 0.000 0.454 745 Y N 1.971 122.354 120.300 0.138 0.000 2.395 745 Y HA 0.005 4.554 4.550 -0.001 0.000 0.293 745 Y C 2.480 178.629 175.900 0.415 0.000 1.123 745 Y CA 0.489 58.749 58.100 0.266 0.000 1.227 745 Y CB -0.283 38.376 38.460 0.330 0.000 1.012 745 Y HN -0.023 nan 8.280 nan 0.000 0.552 746 K N 1.112 121.779 120.400 0.446 0.000 2.001 746 K HA -0.263 4.057 4.320 -0.001 0.000 0.214 746 K C 1.398 178.179 176.600 0.301 0.000 1.050 746 K CA 2.213 58.696 56.287 0.327 0.000 0.934 746 K CB -0.548 32.068 32.500 0.194 0.000 0.718 746 K HN 0.511 nan 8.250 nan 0.000 0.443 747 N N -0.579 118.260 118.700 0.233 0.000 2.025 747 N HA -0.236 4.503 4.740 -0.001 0.000 0.194 747 N C 1.970 177.622 175.510 0.237 0.000 1.044 747 N CA 1.510 54.672 53.050 0.187 0.000 0.851 747 N CB -0.474 38.088 38.487 0.126 0.000 1.036 747 N HN 0.194 nan 8.380 nan 0.000 0.422 748 Y N 1.597 121.932 120.300 0.057 0.000 1.997 748 Y HA -0.341 4.209 4.550 -0.001 0.000 0.265 748 Y C 2.054 177.997 175.900 0.073 0.000 1.193 748 Y CA 1.615 59.714 58.100 -0.002 0.000 1.106 748 Y CB -1.034 37.290 38.460 -0.226 0.000 0.940 748 Y HN 0.003 nan 8.280 nan 0.000 0.494 749 F N 0.526 120.516 119.950 0.066 0.000 2.115 749 F HA -0.325 4.201 4.527 -0.001 0.000 0.300 749 F C 2.537 178.275 175.800 -0.104 0.000 1.092 749 F CA 2.143 60.084 58.000 -0.099 0.000 1.245 749 F CB -0.854 38.158 39.000 0.019 0.000 0.995 749 F HN 0.194 nan 8.300 nan 0.000 0.481 750 Q N -1.162 118.744 119.800 0.176 0.000 2.226 750 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 750 Q C 2.035 178.078 176.000 0.072 0.000 0.975 750 Q CA 1.515 57.380 55.803 0.103 0.000 0.866 750 Q CB -0.895 27.918 28.738 0.125 0.000 0.915 750 Q HN 0.634 nan 8.270 nan 0.000 0.440 751 Y N 0.510 120.775 120.300 -0.058 0.000 2.231 751 Y HA -0.007 4.542 4.550 -0.001 0.000 0.294 751 Y C 1.941 177.744 175.900 -0.161 0.000 1.120 751 Y CA 0.731 58.783 58.100 -0.079 0.000 1.141 751 Y CB -0.372 38.068 38.460 -0.034 0.000 1.022 751 Y HN -0.052 nan 8.280 nan 0.000 0.523 752 L N 0.523 121.481 121.223 -0.443 0.000 2.349 752 L HA -0.219 4.120 4.340 -0.001 0.000 0.220 752 L C 2.288 178.940 176.870 -0.364 0.000 1.130 752 L CA 1.347 55.859 54.840 -0.546 0.000 0.791 752 L CB -0.402 41.307 42.059 -0.583 0.000 0.918 752 L HN 0.282 nan 8.230 nan 0.000 0.444 753 K N 0.096 120.348 120.400 -0.247 0.000 1.995 753 K HA -0.194 4.125 4.320 -0.001 0.000 0.207 753 K C 1.965 178.491 176.600 -0.123 0.000 1.041 753 K CA 1.194 57.395 56.287 -0.143 0.000 0.942 753 K CB -0.058 32.374 32.500 -0.113 0.000 0.731 753 K HN 0.145 nan 8.250 nan 0.000 0.439 754 E N 0.864 120.979 120.200 -0.141 0.000 2.147 754 E HA -0.267 4.082 4.350 -0.001 0.000 0.199 754 E C 1.947 178.402 176.600 -0.243 0.000 1.005 754 E CA 1.317 57.626 56.400 -0.152 0.000 0.810 754 E CB 0.187 29.827 29.700 -0.101 0.000 0.736 754 E HN 0.110 nan 8.360 nan 0.000 0.460 755 R N 0.325 120.616 120.500 -0.349 0.000 2.147 755 R HA -0.182 4.158 4.340 -0.001 0.000 0.225 755 R C 2.436 178.559 176.300 -0.295 0.000 1.120 755 R CA 1.614 57.505 56.100 -0.348 0.000 0.891 755 R CB -1.105 28.924 30.300 -0.452 0.000 0.822 755 R HN 0.321 nan 8.270 nan 0.000 0.433 756 I N 1.175 121.571 120.570 -0.289 0.000 2.130 756 I HA -0.372 3.797 4.170 -0.001 0.000 0.241 756 I C 2.366 178.215 176.117 -0.448 0.000 1.023 756 I CA 2.037 63.165 61.300 -0.287 0.000 1.293 756 I CB -1.886 36.020 38.000 -0.156 0.000 1.001 756 I HN 0.282 nan 8.210 nan 0.000 0.407 757 T N 1.906 116.101 114.554 -0.598 0.000 2.544 757 T HA -0.233 4.116 4.350 -0.001 0.000 0.264 757 T C 1.716 176.115 174.700 -0.502 0.000 1.096 757 T CA 2.032 63.574 62.100 -0.931 0.000 1.181 757 T CB -0.549 67.953 68.868 -0.611 0.000 0.864 757 T HN 0.318 nan 8.240 nan 0.000 0.415 758 N N 0.903 119.425 118.700 -0.295 0.000 2.132 758 N HA -0.175 4.565 4.740 -0.001 0.000 0.191 758 N C 2.012 177.436 175.510 -0.143 0.000 1.015 758 N CA 1.564 54.513 53.050 -0.169 0.000 0.864 758 N CB -0.481 37.931 38.487 -0.125 0.000 1.006 758 N HN 0.450 nan 8.380 nan 0.000 0.430 759 Q N 0.890 120.581 119.800 -0.182 0.000 2.119 759 Q HA 0.012 4.351 4.340 -0.001 0.000 0.201 759 Q C 1.777 177.732 176.000 -0.075 0.000 0.972 759 Q CA 1.049 56.775 55.803 -0.128 0.000 0.847 759 Q CB -0.072 28.561 28.738 -0.174 0.000 0.903 759 Q HN 0.157 nan 8.270 nan 0.000 0.433 760 V N 0.346 120.185 119.914 -0.124 0.000 2.591 760 V HA -0.138 3.982 4.120 -0.001 0.000 0.249 760 V C 2.173 178.302 176.094 0.058 0.000 1.053 760 V CA 1.490 63.790 62.300 -0.000 0.000 1.068 760 V CB -0.473 31.366 31.823 0.027 0.000 0.689 760 V HN 0.326 nan 8.190 nan 0.000 0.462 761 Q N 0.132 119.933 119.800 0.002 0.000 2.050 761 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 761 Q C 2.042 178.086 176.000 0.074 0.000 0.980 761 Q CA 1.868 57.708 55.803 0.061 0.000 0.840 761 Q CB -0.559 28.197 28.738 0.030 0.000 0.898 761 Q HN 0.544 nan 8.270 nan 0.000 0.424 762 L N -0.118 121.130 121.223 0.042 0.000 1.956 762 L HA -0.198 4.142 4.340 -0.001 0.000 0.216 762 L C 1.941 178.854 176.870 0.072 0.000 1.073 762 L CA 1.868 56.744 54.840 0.060 0.000 0.762 762 L CB -0.696 41.363 42.059 0.000 0.000 0.889 762 L HN 0.363 nan 8.230 nan 0.000 0.433 763 L N -1.156 120.087 121.223 0.034 0.000 2.349 763 L HA -0.243 4.097 4.340 -0.001 0.000 0.220 763 L C 2.369 179.315 176.870 0.128 0.000 1.130 763 L CA 0.936 55.805 54.840 0.049 0.000 0.791 763 L CB -0.413 41.696 42.059 0.084 0.000 0.918 763 L HN 0.431 nan 8.230 nan 0.000 0.444 764 L N -0.810 120.498 121.223 0.142 0.000 2.071 764 L HA -0.100 4.240 4.340 -0.001 0.000 0.201 764 L C 2.459 179.415 176.870 0.144 0.000 1.076 764 L CA 1.455 56.381 54.840 0.144 0.000 0.755 764 L CB -0.597 41.546 42.059 0.140 0.000 0.915 764 L HN 0.320 nan 8.230 nan 0.000 0.445 765 T N -4.286 110.361 114.554 0.154 0.000 3.219 765 T HA -0.175 4.175 4.350 -0.001 0.000 0.264 765 T C 1.161 175.956 174.700 0.159 0.000 1.178 765 T CA 0.887 63.067 62.100 0.133 0.000 1.057 765 T CB -0.550 68.387 68.868 0.115 0.000 0.919 765 T HN 0.289 nan 8.240 nan 0.000 0.545 766 H N -0.447 118.650 119.070 0.045 0.000 2.592 766 H HA 0.323 4.878 4.556 -0.001 0.000 0.265 766 H C 2.006 177.354 175.328 0.035 0.000 0.955 766 H CA 0.691 56.764 56.048 0.041 0.000 1.175 766 H CB 0.433 30.225 29.762 0.049 0.000 1.433 766 H HN 0.606 nan 8.280 nan 0.000 0.537 767 Q N -0.234 119.636 119.800 0.117 0.000 2.061 767 Q HA 0.144 4.484 4.340 -0.001 0.000 0.159 767 Q C -0.538 175.480 176.000 0.030 0.000 0.530 767 Q CA -0.312 55.531 55.803 0.066 0.000 0.728 767 Q CB 0.933 29.716 28.738 0.076 0.000 1.004 767 Q HN -0.006 nan 8.270 nan 0.000 0.426 768 K N 1.956 122.369 120.400 0.022 0.000 2.419 768 K HA 0.373 4.692 4.320 -0.001 0.000 0.244 768 K C -1.287 175.319 176.600 0.011 0.000 1.045 768 K CA -0.112 56.175 56.287 0.001 0.000 1.004 768 K CB 1.533 34.017 32.500 -0.026 0.000 1.376 768 K HN 0.087 nan 8.250 nan 0.000 0.460 769 S N 2.716 118.427 115.700 0.018 0.000 2.622 769 S HA 0.281 4.750 4.470 -0.001 0.000 0.283 769 S C 0.167 174.780 174.600 0.022 0.000 1.197 769 S CA -0.542 57.676 58.200 0.030 0.000 1.146 769 S CB -0.006 63.223 63.200 0.047 0.000 1.007 769 S HN 0.729 nan 8.310 nan 0.000 0.478 770 N N 3.377 122.087 118.700 0.018 0.000 2.200 770 N HA 0.206 4.945 4.740 -0.001 0.000 0.233 770 N C -0.459 175.062 175.510 0.019 0.000 1.236 770 N CA -0.149 52.909 53.050 0.014 0.000 0.845 770 N CB 0.325 38.812 38.487 0.002 0.000 1.257 770 N HN 0.431 nan 8.380 nan 0.000 0.472 771 I N 2.943 123.526 120.570 0.020 0.000 2.452 771 I HA 0.134 4.304 4.170 -0.001 0.000 0.287 771 I C 0.004 176.155 176.117 0.057 0.000 1.079 771 I CA 0.385 61.701 61.300 0.027 0.000 1.387 771 I CB 0.478 38.488 38.000 0.017 0.000 1.404 771 I HN 0.079 nan 8.210 nan 0.000 0.522 772 E N 4.612 124.846 120.200 0.057 0.000 2.216 772 E HA 0.115 4.464 4.350 -0.001 0.000 0.279 772 E C 0.530 177.193 176.600 0.104 0.000 0.997 772 E CA -0.511 55.942 56.400 0.089 0.000 0.817 772 E CB 1.320 31.064 29.700 0.073 0.000 1.096 772 E HN 0.480 nan 8.360 nan 0.000 0.393 773 F N 4.357 124.314 119.950 0.010 0.000 2.063 773 F HA -0.371 4.155 4.527 -0.001 0.000 0.297 773 F C 2.227 178.023 175.800 -0.006 0.000 1.099 773 F CA 2.251 60.239 58.000 -0.021 0.000 1.220 773 F CB 0.007 38.948 39.000 -0.099 0.000 0.972 773 F HN 0.441 nan 8.300 nan 0.000 0.487 774 K N 0.149 120.543 120.400 -0.010 0.000 2.113 774 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 774 K C 2.190 178.751 176.600 -0.065 0.000 1.047 774 K CA 2.002 58.257 56.287 -0.054 0.000 0.928 774 K CB -0.387 32.167 32.500 0.089 0.000 0.716 774 K HN 0.488 nan 8.250 nan 0.000 0.446 775 L N 0.603 121.806 121.223 -0.033 0.000 2.068 775 L HA -0.105 4.234 4.340 -0.001 0.000 0.204 775 L C 2.466 179.319 176.870 -0.028 0.000 1.076 775 L CA 0.636 55.467 54.840 -0.015 0.000 0.753 775 L CB -0.269 41.792 42.059 0.003 0.000 0.910 775 L HN 0.305 nan 8.230 nan 0.000 0.439 776 L N -1.347 119.851 121.223 -0.042 0.000 2.189 776 L HA -0.309 4.031 4.340 -0.001 0.000 0.214 776 L C 2.606 179.493 176.870 0.029 0.000 1.097 776 L CA 1.326 56.169 54.840 0.004 0.000 0.764 776 L CB -0.260 41.832 42.059 0.055 0.000 0.900 776 L HN 0.249 nan 8.230 nan 0.000 0.436 777 Y N 1.058 121.180 120.300 -0.298 0.000 2.060 777 Y HA -0.290 4.260 4.550 -0.001 0.000 0.276 777 Y C 2.542 178.403 175.900 -0.065 0.000 1.127 777 Y CA 1.557 59.504 58.100 -0.255 0.000 1.104 777 Y CB -0.468 37.720 38.460 -0.455 0.000 0.983 777 Y HN 0.073 nan 8.280 nan 0.000 0.483 778 K N 0.289 120.651 120.400 -0.065 0.000 2.056 778 K HA -0.358 3.961 4.320 -0.001 0.000 0.225 778 K C 1.740 178.267 176.600 -0.122 0.000 1.053 778 K CA 2.538 58.757 56.287 -0.113 0.000 0.966 778 K CB -1.232 31.244 32.500 -0.040 0.000 0.735 778 K HN 0.592 nan 8.250 nan 0.000 0.455 779 Q N 0.330 120.092 119.800 -0.063 0.000 2.592 779 Q HA -0.105 4.234 4.340 -0.001 0.000 0.219 779 Q C 0.211 176.170 176.000 -0.069 0.000 0.984 779 Q CA 0.390 56.163 55.803 -0.050 0.000 0.911 779 Q CB -0.148 28.579 28.738 -0.018 0.000 0.962 779 Q HN 0.142 nan 8.270 nan 0.000 0.532 780 L N 0.323 121.476 121.223 -0.118 0.000 2.360 780 L HA 0.250 4.589 4.340 -0.001 0.000 0.271 780 L C 0.171 176.870 176.870 -0.285 0.000 1.057 780 L CA 0.059 54.767 54.840 -0.220 0.000 0.803 780 L CB 1.117 43.016 42.059 -0.265 0.000 1.207 780 L HN 0.083 nan 8.230 nan 0.000 0.445 781 N N 1.264 119.740 118.700 -0.374 0.000 2.851 781 N HA 0.257 4.996 4.740 -0.001 0.000 0.248 781 N C -0.513 174.833 175.510 -0.273 0.000 1.221 781 N CA -0.257 52.654 53.050 -0.232 0.000 0.847 781 N CB 0.393 38.798 38.487 -0.135 0.000 1.150 781 N HN 0.391 nan 8.380 nan 0.000 0.507 782 F N 1.211 121.171 119.950 0.017 0.000 2.777 782 F HA 0.151 4.678 4.527 -0.001 0.000 0.291 782 F C 1.804 177.632 175.800 0.046 0.000 1.187 782 F CA -0.172 57.859 58.000 0.052 0.000 1.406 782 F CB 0.303 39.342 39.000 0.065 0.000 0.982 782 F HN 0.341 nan 8.300 nan 0.000 0.509 783 T N 0.231 114.862 114.554 0.128 0.000 2.645 783 T HA -0.147 4.203 4.350 -0.001 0.000 0.233 783 T C 1.887 176.645 174.700 0.097 0.000 1.158 783 T CA 1.641 63.797 62.100 0.095 0.000 1.610 783 T CB -0.103 68.793 68.868 0.047 0.000 1.059 783 T HN 0.476 nan 8.240 nan 0.000 0.395 784 E N 1.394 121.635 120.200 0.069 0.000 2.207 784 E HA 0.061 4.410 4.350 -0.001 0.000 0.197 784 E C 0.455 177.097 176.600 0.071 0.000 0.914 784 E CA -0.144 56.297 56.400 0.068 0.000 0.914 784 E CB -0.300 29.428 29.700 0.047 0.000 0.893 784 E HN 0.538 nan 8.360 nan 0.000 0.479 785 N N 0.668 119.399 118.700 0.052 0.000 2.530 785 N HA 0.080 4.820 4.740 -0.001 0.000 0.277 785 N C 0.142 175.687 175.510 0.058 0.000 1.168 785 N CA -0.347 52.731 53.050 0.048 0.000 0.979 785 N CB 1.638 40.140 38.487 0.026 0.000 1.141 785 N HN 0.080 nan 8.380 nan 0.000 0.459 786 E N 0.068 120.311 120.200 0.072 0.000 2.421 786 E HA -0.014 4.336 4.350 -0.001 0.000 0.209 786 E C 1.023 177.664 176.600 0.069 0.000 0.871 786 E CA 0.536 56.998 56.400 0.103 0.000 1.064 786 E CB -0.029 29.760 29.700 0.148 0.000 1.075 786 E HN 0.820 nan 8.360 nan 0.000 0.513 787 T N 0.808 115.388 114.554 0.043 0.000 2.210 787 T HA -0.348 4.001 4.350 -0.001 0.000 0.204 787 T C 1.731 176.443 174.700 0.021 0.000 1.651 787 T CA 1.883 63.999 62.100 0.026 0.000 1.240 787 T CB -1.296 67.583 68.868 0.018 0.000 0.866 787 T HN 0.351 nan 8.240 nan 0.000 0.385 788 D N 1.712 122.115 120.400 0.004 0.000 2.203 788 D HA -0.260 4.379 4.640 -0.001 0.000 0.199 788 D C 1.974 178.259 176.300 -0.025 0.000 0.997 788 D CA 1.636 55.628 54.000 -0.014 0.000 0.863 788 D CB -0.920 39.865 40.800 -0.024 0.000 0.928 788 D HN 0.468 nan 8.370 nan 0.000 0.458 789 N N 0.488 119.177 118.700 -0.019 0.000 2.112 789 N HA -0.271 4.468 4.740 -0.001 0.000 0.200 789 N C 1.642 177.143 175.510 -0.015 0.000 1.011 789 N CA 1.478 54.512 53.050 -0.027 0.000 0.891 789 N CB -0.821 37.654 38.487 -0.020 0.000 1.060 789 N HN 0.290 nan 8.380 nan 0.000 0.478 790 F N 1.820 121.587 119.950 -0.304 0.000 2.113 790 F HA -0.038 4.488 4.527 -0.001 0.000 0.297 790 F C 2.330 178.015 175.800 -0.192 0.000 1.103 790 F CA 1.408 59.086 58.000 -0.537 0.000 1.248 790 F CB -0.507 38.057 39.000 -0.726 0.000 0.999 790 F HN 0.160 nan 8.300 nan 0.000 0.475 791 E N -0.367 119.729 120.200 -0.174 0.000 2.118 791 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 791 E C 2.290 178.762 176.600 -0.213 0.000 0.992 791 E CA 1.587 57.861 56.400 -0.210 0.000 0.804 791 E CB -0.377 29.267 29.700 -0.092 0.000 0.741 791 E HN 0.299 nan 8.360 nan 0.000 0.458 792 V N 1.225 121.058 119.914 -0.136 0.000 2.216 792 V HA -0.273 3.847 4.120 -0.001 0.000 0.243 792 V C 2.001 178.024 176.094 -0.118 0.000 1.044 792 V CA 1.999 64.240 62.300 -0.099 0.000 0.995 792 V CB -0.716 31.080 31.823 -0.046 0.000 0.633 792 V HN 0.240 nan 8.190 nan 0.000 0.446 793 F N 1.023 120.846 119.950 -0.210 0.000 2.082 793 F HA -0.352 4.175 4.527 -0.001 0.000 0.298 793 F C 2.610 178.251 175.800 -0.266 0.000 1.091 793 F CA 2.599 60.498 58.000 -0.168 0.000 1.230 793 F CB -0.635 38.294 39.000 -0.119 0.000 0.983 793 F HN 0.251 nan 8.300 nan 0.000 0.485 794 Q N 1.050 120.545 119.800 -0.508 0.000 1.900 794 Q HA -0.316 4.024 4.340 -0.001 0.000 0.219 794 Q C 2.275 178.028 176.000 -0.412 0.000 1.012 794 Q CA 2.544 58.028 55.803 -0.532 0.000 0.876 794 Q CB -0.671 27.792 28.738 -0.458 0.000 0.952 794 Q HN 0.513 nan 8.270 nan 0.000 0.419 795 K N 0.007 120.236 120.400 -0.286 0.000 2.107 795 K HA -0.189 4.130 4.320 -0.001 0.000 0.211 795 K C 2.136 178.605 176.600 -0.219 0.000 1.049 795 K CA 1.757 57.918 56.287 -0.210 0.000 0.927 795 K CB -0.383 32.025 32.500 -0.154 0.000 0.714 795 K HN 0.409 nan 8.250 nan 0.000 0.452 796 I N 1.209 121.627 120.570 -0.253 0.000 2.502 796 I HA -0.207 3.962 4.170 -0.001 0.000 0.258 796 I C 1.787 177.745 176.117 -0.264 0.000 1.172 796 I CA 1.374 62.538 61.300 -0.226 0.000 1.430 796 I CB -0.972 36.905 38.000 -0.206 0.000 1.086 796 I HN 0.247 nan 8.210 nan 0.000 0.440 797 I N -2.217 118.135 120.570 -0.364 0.000 3.266 797 I HA 0.473 4.643 4.170 -0.001 0.000 0.346 797 I C -0.809 175.185 176.117 -0.206 0.000 1.458 797 I CA -0.309 60.811 61.300 -0.301 0.000 0.997 797 I CB 0.108 37.854 38.000 -0.425 0.000 1.733 797 I HN -0.171 nan 8.210 nan 0.000 0.507 798 D N 0.000 120.304 120.400 -0.160 0.000 6.856 798 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 798 D CA 0.000 53.929 54.000 -0.118 0.000 0.868 798 D CB 0.000 40.725 40.800 -0.126 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683