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 2e9q_1_A DATA FIRST_RESID 26 DATA SEQUENCE AcRLENLRAQ DPVRRAEAEA GFTEVWDQDN DEFQcAGVNM IRHTIRPKGL DATA SEQUENCE LLPGFSNAPK LIFVAQGFGI RGIAIPGcAE TYQTDLRXXX XXXXAFKDQH DATA SEQUENCE QKIRPFREGD LLVVPAGVSH WMYNRGQSDL VLIVFADTRN VANQIDPYLR DATA SEQUENCE KFYLAGRPEQ VERGVEXXXX XXXXXXXXEK SGNIFSGFAD EFLEEAFQID DATA SEQUENCE GGLVRKLKGE DDERDRIVQV DEDFEVLLPE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXTIcTLR LKQNIGRSER ADVFNPRGGR ISTANYHTLP ILRQVRLSAE DATA SEQUENCE RGVLYSNAMV APHYTVNSHS VMYATRGNAR VQVVDNFGQS VFDGEVREGQ DATA SEQUENCE VLMIPQNFVV IKRASDRGFE WIAFKTNDNA ITNLLAGRVS QMRMLPLGVL DATA SEQUENCE SNMYRISREE AQRLKYGQQE MRVLSPGR 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.618 177.584 0.057 0.000 1.274 26 A CA 0.000 52.071 52.037 0.057 0.000 0.836 26 A CB 0.000 19.038 19.000 0.064 0.000 0.831 27 c N 1.817 120.457 118.600 0.066 0.000 2.435 27 c HA 0.508 5.079 4.570 0.000 0.000 0.375 27 c C 0.884 175.022 174.090 0.079 0.000 1.281 27 c CA -0.239 56.125 56.329 0.059 0.000 1.963 27 c CB -0.039 42.501 42.510 0.050 0.000 2.490 27 c HN 0.670 nan 8.230 nan 0.000 0.557 28 R N 3.753 124.292 120.500 0.066 0.000 2.408 28 R HA 0.275 4.615 4.340 0.000 0.000 0.308 28 R C -0.492 175.864 176.300 0.093 0.000 1.210 28 R CA 0.038 56.186 56.100 0.079 0.000 1.115 28 R CB 0.161 30.496 30.300 0.058 0.000 1.127 28 R HN 0.702 nan 8.270 nan 0.000 0.523 29 L N 2.003 123.314 121.223 0.147 0.000 3.154 29 L HA 0.254 4.595 4.340 0.000 0.000 0.266 29 L C 0.862 177.902 176.870 0.284 0.000 1.300 29 L CA 0.069 55.025 54.840 0.193 0.000 1.028 29 L CB 0.331 42.509 42.059 0.197 0.000 1.412 29 L HN 0.454 nan 8.230 nan 0.000 0.564 30 E N 0.114 120.432 120.200 0.196 0.000 2.431 30 E HA 0.063 4.413 4.350 0.000 0.000 0.200 30 E C 0.126 176.814 176.600 0.146 0.000 0.995 30 E CA 0.167 56.672 56.400 0.175 0.000 0.915 30 E CB 0.513 30.284 29.700 0.118 0.000 0.930 30 E HN 0.253 nan 8.360 nan 0.000 0.496 31 N N 0.814 119.595 118.700 0.134 0.000 2.790 31 N HA 0.204 4.944 4.740 0.000 0.000 0.256 31 N C -1.260 174.339 175.510 0.148 0.000 1.409 31 N CA -0.129 52.998 53.050 0.128 0.000 0.799 31 N CB 0.593 39.130 38.487 0.083 0.000 1.170 31 N HN -0.080 nan 8.380 nan 0.000 0.507 32 L N 1.151 122.498 121.223 0.205 0.000 2.467 32 L HA 0.396 4.736 4.340 0.000 0.000 0.270 32 L C 0.641 177.657 176.870 0.244 0.000 1.205 32 L CA -0.078 54.861 54.840 0.164 0.000 0.828 32 L CB 0.565 42.697 42.059 0.123 0.000 1.101 32 L HN 0.222 nan 8.230 nan 0.000 0.479 33 R N 1.199 121.756 120.500 0.094 0.000 2.744 33 R HA 0.600 4.941 4.340 0.000 0.000 0.279 33 R C -0.928 175.385 176.300 0.022 0.000 0.977 33 R CA -0.913 55.278 56.100 0.151 0.000 0.906 33 R CB 1.898 32.250 30.300 0.088 0.000 1.197 33 R HN 0.696 nan 8.270 nan 0.000 0.463 34 A N 2.903 125.805 122.820 0.136 0.000 2.410 34 A HA 0.168 4.488 4.320 0.000 0.000 0.292 34 A C -0.263 177.391 177.584 0.118 0.000 1.232 34 A CA -0.228 51.848 52.037 0.065 0.000 0.893 34 A CB 0.086 19.193 19.000 0.179 0.000 1.131 34 A HN 0.621 nan 8.150 nan 0.000 0.530 35 Q N 1.836 121.719 119.800 0.139 0.000 2.235 35 Q HA 0.370 4.710 4.340 0.000 0.000 0.250 35 Q C -0.871 175.376 176.000 0.412 0.000 0.909 35 Q CA -0.549 55.384 55.803 0.217 0.000 0.910 35 Q CB 1.670 30.525 28.738 0.196 0.000 1.223 35 Q HN 0.682 nan 8.270 nan 0.000 0.432 36 D N 1.558 122.046 120.400 0.146 0.000 2.340 36 D HA 0.372 5.012 4.640 0.000 0.000 0.243 36 D C -2.382 173.526 176.300 -0.654 0.000 0.988 36 D CA -1.688 52.273 54.000 -0.065 0.000 0.959 36 D CB 1.735 42.501 40.800 -0.057 0.000 1.226 36 D HN 0.202 nan 8.370 nan 0.000 0.509 37 P HA -0.036 nan 4.420 nan 0.000 0.268 37 P C 0.291 177.291 177.300 -0.500 0.000 1.208 37 P CA -0.014 62.345 63.100 -1.235 0.000 0.777 37 P CB 0.916 31.998 31.700 -1.031 0.000 0.875 38 V N 1.923 121.656 119.914 -0.302 0.000 3.604 38 V HA 0.272 4.392 4.120 0.000 0.000 0.277 38 V C 0.557 176.592 176.094 -0.098 0.000 1.399 38 V CA 0.668 62.877 62.300 -0.151 0.000 1.034 38 V CB -0.185 31.589 31.823 -0.083 0.000 0.824 38 V HN 0.379 nan 8.190 nan 0.000 0.439 39 R N 0.410 120.855 120.500 -0.091 0.000 2.771 39 R HA 0.686 5.026 4.340 0.000 0.000 0.274 39 R C -0.867 175.415 176.300 -0.030 0.000 0.987 39 R CA -0.738 55.336 56.100 -0.043 0.000 0.908 39 R CB 2.074 32.370 30.300 -0.006 0.000 1.213 39 R HN 0.283 nan 8.270 nan 0.000 0.468 40 R N 1.317 121.812 120.500 -0.009 0.000 2.626 40 R HA 0.659 4.999 4.340 0.000 0.000 0.274 40 R C -2.128 174.195 176.300 0.039 0.000 1.031 40 R CA -0.511 55.604 56.100 0.025 0.000 0.898 40 R CB 2.223 32.514 30.300 -0.016 0.000 1.222 40 R HN 0.642 nan 8.270 nan 0.000 0.455 41 A N 3.746 126.621 122.820 0.091 0.000 2.357 41 A HA 0.404 4.724 4.320 0.000 0.000 0.295 41 A C -0.997 176.661 177.584 0.124 0.000 1.121 41 A CA -0.776 51.308 52.037 0.078 0.000 0.742 41 A CB 1.292 20.333 19.000 0.069 0.000 1.181 41 A HN 0.667 nan 8.150 nan 0.000 0.454 42 E N 1.123 121.372 120.200 0.082 0.000 2.313 42 E HA 0.548 4.898 4.350 0.000 0.000 0.276 42 E C 0.127 176.774 176.600 0.077 0.000 1.031 42 E CA 0.115 56.578 56.400 0.105 0.000 0.857 42 E CB 1.904 31.625 29.700 0.036 0.000 1.040 42 E HN 0.746 nan 8.360 nan 0.000 0.408 43 A N 1.977 124.856 122.820 0.098 0.000 2.387 43 A HA 0.254 4.575 4.320 0.000 0.000 0.298 43 A C 1.049 178.653 177.584 0.034 0.000 1.165 43 A CA -0.486 51.574 52.037 0.039 0.000 0.814 43 A CB 1.117 20.127 19.000 0.018 0.000 1.357 43 A HN 0.721 nan 8.150 nan 0.000 0.443 44 E N -0.262 119.940 120.200 0.003 0.000 2.085 44 E HA -0.156 4.194 4.350 0.000 0.000 0.194 44 E C 1.096 177.699 176.600 0.006 0.000 0.994 44 E CA 1.708 58.108 56.400 -0.000 0.000 0.801 44 E CB -0.079 29.610 29.700 -0.018 0.000 0.743 44 E HN 0.695 nan 8.360 nan 0.000 0.453 45 A N -0.077 122.741 122.820 -0.004 0.000 2.594 45 A HA 0.546 4.866 4.320 0.000 0.000 0.287 45 A C 0.337 177.916 177.584 -0.008 0.000 1.227 45 A CA 0.339 52.369 52.037 -0.012 0.000 0.952 45 A CB 0.721 19.695 19.000 -0.043 0.000 1.161 45 A HN 0.387 nan 8.150 nan 0.000 0.524 46 G N -0.699 108.125 108.800 0.040 0.000 2.367 46 G HA2 0.509 4.469 3.960 0.000 0.000 0.272 46 G HA3 0.509 4.469 3.960 0.000 0.000 0.272 46 G C -1.137 173.866 174.900 0.171 0.000 1.271 46 G CA 0.024 45.142 45.100 0.031 0.000 0.893 46 G HN 1.208 nan 8.290 nan 0.000 0.485 47 F N -1.828 118.154 119.950 0.053 0.000 2.678 47 F HA 0.816 5.344 4.527 0.000 0.000 0.308 47 F C -0.742 175.138 175.800 0.133 0.000 1.118 47 F CA -1.085 56.956 58.000 0.067 0.000 0.959 47 F CB 1.539 40.564 39.000 0.041 0.000 1.305 47 F HN 0.506 nan 8.300 nan 0.000 0.443 48 T N 1.393 116.146 114.554 0.332 0.000 2.792 48 T HA 0.458 4.808 4.350 0.000 0.000 0.280 48 T C -0.981 173.854 174.700 0.225 0.000 0.990 48 T CA -0.621 61.644 62.100 0.274 0.000 0.960 48 T CB 1.521 70.574 68.868 0.308 0.000 0.939 48 T HN 0.649 nan 8.240 nan 0.000 0.439 49 E N 1.680 121.980 120.200 0.167 0.000 2.183 49 E HA 0.640 4.990 4.350 0.000 0.000 0.271 49 E C -1.025 175.626 176.600 0.086 0.000 0.919 49 E CA -0.884 55.571 56.400 0.093 0.000 0.781 49 E CB 2.098 31.834 29.700 0.060 0.000 1.140 49 E HN 0.254 nan 8.360 nan 0.000 0.402 50 V N 2.637 122.577 119.914 0.044 0.000 2.656 50 V HA 0.312 4.433 4.120 0.000 0.000 0.307 50 V C -0.320 175.872 176.094 0.164 0.000 1.051 50 V CA -1.044 61.362 62.300 0.178 0.000 0.893 50 V CB 1.430 33.333 31.823 0.133 0.000 0.999 50 V HN 0.658 nan 8.190 nan 0.000 0.426 51 W N 0.933 122.310 121.300 0.128 0.000 2.089 51 W HA 0.253 4.913 4.660 0.000 0.000 0.362 51 W C 0.180 176.781 176.519 0.137 0.000 1.362 51 W CA -0.043 57.400 57.345 0.164 0.000 1.460 51 W CB 0.895 30.553 29.460 0.329 0.000 1.204 51 W HN 0.553 nan 8.180 nan 0.000 0.657 52 D N 1.638 122.206 120.400 0.280 0.000 2.359 52 D HA -0.054 4.586 4.640 0.000 0.000 0.250 52 D C 1.548 177.979 176.300 0.217 0.000 1.264 52 D CA 0.123 54.212 54.000 0.149 0.000 0.911 52 D CB 0.809 41.625 40.800 0.027 0.000 1.056 52 D HN 0.150 nan 8.370 nan 0.000 0.499 53 Q N 2.758 122.703 119.800 0.242 0.000 2.135 53 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 53 Q C 0.261 176.373 176.000 0.186 0.000 0.981 53 Q CA 1.236 57.192 55.803 0.255 0.000 0.856 53 Q CB -0.168 28.668 28.738 0.165 0.000 0.902 53 Q HN 0.548 nan 8.270 nan 0.000 0.425 54 D N 1.336 121.800 120.400 0.106 0.000 2.349 54 D HA -0.018 4.623 4.640 0.000 0.000 0.224 54 D C 0.214 176.538 176.300 0.040 0.000 1.029 54 D CA 0.013 54.051 54.000 0.064 0.000 0.879 54 D CB -0.461 40.358 40.800 0.032 0.000 0.906 54 D HN 0.423 nan 8.370 nan 0.000 0.528 55 N N 1.505 120.215 118.700 0.016 0.000 2.407 55 N HA -0.113 4.628 4.740 0.000 0.000 0.250 55 N C 0.804 176.311 175.510 -0.006 0.000 1.236 55 N CA 0.113 53.119 53.050 -0.073 0.000 0.879 55 N CB 0.917 39.207 38.487 -0.329 0.000 1.088 55 N HN -0.262 nan 8.380 nan 0.000 0.450 56 D N 2.355 122.750 120.400 -0.009 0.000 2.106 56 D HA -0.187 4.454 4.640 0.000 0.000 0.191 56 D C 1.236 177.558 176.300 0.037 0.000 0.997 56 D CA 1.730 55.743 54.000 0.021 0.000 0.834 56 D CB -0.193 40.621 40.800 0.023 0.000 0.956 56 D HN 0.703 nan 8.370 nan 0.000 0.448 57 E N 0.180 120.399 120.200 0.031 0.000 2.058 57 E HA -0.118 4.232 4.350 0.000 0.000 0.194 57 E C 2.228 178.927 176.600 0.166 0.000 0.997 57 E CA 0.669 57.105 56.400 0.061 0.000 0.801 57 E CB -0.563 29.184 29.700 0.079 0.000 0.746 57 E HN 0.392 nan 8.360 nan 0.000 0.450 58 F N 0.933 120.854 119.950 -0.048 0.000 2.095 58 F HA -0.286 4.242 4.527 0.000 0.000 0.298 58 F C 2.753 178.514 175.800 -0.065 0.000 1.104 58 F CA 1.003 58.973 58.000 -0.049 0.000 1.232 58 F CB -0.112 38.887 39.000 -0.002 0.000 0.987 58 F HN 0.103 nan 8.300 nan 0.000 0.475 59 Q N -0.307 119.596 119.800 0.170 0.000 2.124 59 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 59 Q C 2.411 178.422 176.000 0.019 0.000 0.977 59 Q CA 1.743 57.592 55.803 0.077 0.000 0.850 59 Q CB -0.383 28.394 28.738 0.065 0.000 0.901 59 Q HN 0.543 nan 8.270 nan 0.000 0.429 60 c N -0.273 118.324 118.600 -0.005 0.000 2.436 60 c HA -0.055 4.515 4.570 0.000 0.000 0.277 60 c C 2.668 176.684 174.090 -0.124 0.000 1.241 60 c CA 1.362 57.661 56.329 -0.051 0.000 1.721 60 c CB -1.046 41.419 42.510 -0.076 0.000 2.043 60 c HN 0.637 nan 8.230 nan 0.000 0.472 61 A N -1.004 121.667 122.820 -0.248 0.000 2.169 61 A HA 0.390 4.710 4.320 0.000 0.000 0.212 61 A C 1.680 179.177 177.584 -0.145 0.000 1.153 61 A CA 1.409 53.222 52.037 -0.373 0.000 0.756 61 A CB -1.044 17.588 19.000 -0.613 0.000 0.813 61 A HN 1.759 nan 8.150 nan 0.000 0.471 62 G N -0.316 108.425 108.800 -0.098 0.000 2.333 62 G HA2 -0.013 3.947 3.960 0.000 0.000 0.296 62 G HA3 -0.013 3.947 3.960 0.000 0.000 0.296 62 G C 0.151 174.941 174.900 -0.184 0.000 1.059 62 G CA 0.601 45.649 45.100 -0.086 0.000 1.050 62 G HN 1.799 nan 8.290 nan 0.000 0.508 63 V N -2.697 117.055 119.914 -0.270 0.000 2.919 63 V HA 0.963 5.083 4.120 0.000 0.000 0.316 63 V C -0.156 175.622 176.094 -0.527 0.000 1.077 63 V CA -1.572 60.418 62.300 -0.517 0.000 0.977 63 V CB 2.315 33.789 31.823 -0.583 0.000 1.039 63 V HN 0.314 nan 8.190 nan 0.000 0.441 64 N N 2.819 121.169 118.700 -0.583 0.000 2.242 64 N HA 0.805 5.545 4.740 0.000 0.000 0.292 64 N C -1.201 174.078 175.510 -0.385 0.000 1.125 64 N CA -0.684 52.172 53.050 -0.324 0.000 0.783 64 N CB 1.897 40.270 38.487 -0.191 0.000 1.558 64 N HN 0.677 nan 8.380 nan 0.000 0.472 65 M N 1.902 121.425 119.600 -0.128 0.000 2.327 65 M HA 0.544 5.024 4.480 0.000 0.000 0.298 65 M C -1.321 175.061 176.300 0.136 0.000 1.065 65 M CA -0.245 54.946 55.300 -0.181 0.000 0.916 65 M CB 1.257 33.565 32.600 -0.486 0.000 1.630 65 M HN 0.520 nan 8.290 nan 0.000 0.442 66 I N 1.941 122.519 120.570 0.014 0.000 2.647 66 I HA 0.555 4.725 4.170 0.000 0.000 0.295 66 I C -0.387 175.745 176.117 0.025 0.000 1.078 66 I CA -0.781 60.570 61.300 0.086 0.000 1.048 66 I CB 3.074 40.999 38.000 -0.123 0.000 1.239 66 I HN 0.621 nan 8.210 nan 0.000 0.421 67 R N 4.307 124.886 120.500 0.130 0.000 2.476 67 R HA 0.522 4.863 4.340 0.000 0.000 0.305 67 R C -1.446 174.826 176.300 -0.046 0.000 0.965 67 R CA -0.616 55.536 56.100 0.087 0.000 0.867 67 R CB 1.151 31.656 30.300 0.342 0.000 1.176 67 R HN 0.669 nan 8.270 nan 0.000 0.447 68 H N 1.396 120.476 119.070 0.016 0.000 2.457 68 H HA 0.315 4.872 4.556 0.001 0.000 0.335 68 H C -0.698 174.517 175.328 -0.189 0.000 1.115 68 H CA -0.645 55.358 56.048 -0.074 0.000 1.219 68 H CB 2.278 32.021 29.762 -0.031 0.000 1.471 68 H HN 0.400 nan 8.280 nan 0.000 0.491 69 T N 4.956 119.339 114.554 -0.285 0.000 2.864 69 T HA 0.346 4.696 4.350 0.000 0.000 0.310 69 T C -0.120 174.368 174.700 -0.354 0.000 1.040 69 T CA -0.552 61.273 62.100 -0.458 0.000 0.977 69 T CB 0.016 68.231 68.868 -1.088 0.000 0.976 69 T HN 0.366 nan 8.240 nan 0.000 0.459 70 I N 3.580 124.042 120.570 -0.181 0.000 2.339 70 I HA 0.429 4.599 4.170 0.000 0.000 0.290 70 I C 0.714 176.753 176.117 -0.130 0.000 0.994 70 I CA -0.910 60.306 61.300 -0.142 0.000 1.191 70 I CB 1.328 39.261 38.000 -0.111 0.000 1.343 70 I HN 0.285 nan 8.210 nan 0.000 0.458 71 R N 5.739 126.176 120.500 -0.106 0.000 2.560 71 R HA 0.338 4.678 4.340 0.000 0.000 0.270 71 R C -2.385 173.835 176.300 -0.134 0.000 1.074 71 R CA -1.617 54.432 56.100 -0.086 0.000 1.140 71 R CB 0.039 30.319 30.300 -0.033 0.000 1.073 71 R HN 0.247 nan 8.270 nan 0.000 0.527 72 P HA -0.156 nan 4.420 nan 0.000 0.263 72 P C -0.555 176.649 177.300 -0.159 0.000 1.168 72 P CA 0.837 63.834 63.100 -0.173 0.000 0.759 72 P CB 0.377 32.011 31.700 -0.111 0.000 0.782 73 K N -0.524 119.728 120.400 -0.247 0.000 3.446 73 K HA -0.131 4.189 4.320 0.000 0.000 0.312 73 K C 0.640 177.171 176.600 -0.114 0.000 1.329 73 K CA 1.281 57.509 56.287 -0.098 0.000 0.935 73 K CB -2.455 30.064 32.500 0.033 0.000 1.281 73 K HN 0.746 nan 8.250 nan 0.000 0.457 74 G N 0.954 109.603 108.800 -0.251 0.000 2.415 74 G HA2 0.488 4.448 3.960 0.000 0.000 0.269 74 G HA3 0.488 4.448 3.960 0.000 0.000 0.269 74 G C -0.602 174.236 174.900 -0.103 0.000 1.209 74 G CA -0.551 44.457 45.100 -0.153 0.000 0.835 74 G HN 0.088 nan 8.290 nan 0.000 0.534 75 L N 3.238 124.440 121.223 -0.036 0.000 2.342 75 L HA 0.520 4.860 4.340 0.000 0.000 0.276 75 L C -0.672 176.203 176.870 0.010 0.000 0.997 75 L CA -1.049 53.810 54.840 0.031 0.000 0.838 75 L CB 1.742 43.738 42.059 -0.104 0.000 1.224 75 L HN 0.414 nan 8.230 nan 0.000 0.416 76 L N 6.084 127.339 121.223 0.053 0.000 2.369 76 L HA 0.387 4.727 4.340 0.000 0.000 0.279 76 L C -0.519 176.409 176.870 0.097 0.000 1.108 76 L CA 0.190 55.031 54.840 0.001 0.000 0.852 76 L CB 0.204 42.208 42.059 -0.091 0.000 1.169 76 L HN 0.591 nan 8.230 nan 0.000 0.452 77 L N 7.294 128.578 121.223 0.102 0.000 2.499 77 L HA 0.217 4.557 4.340 0.000 0.000 0.281 77 L C -1.759 175.258 176.870 0.244 0.000 1.234 77 L CA -1.547 53.393 54.840 0.166 0.000 0.839 77 L CB -0.233 41.919 42.059 0.156 0.000 1.104 77 L HN 0.555 nan 8.230 nan 0.000 0.500 78 P HA 0.218 nan 4.420 nan 0.000 0.276 78 P C -0.384 176.972 177.300 0.093 0.000 1.230 78 P CA 0.004 63.228 63.100 0.208 0.000 0.776 78 P CB 1.380 33.276 31.700 0.326 0.000 0.888 79 G N 2.041 110.796 108.800 -0.075 0.000 2.623 79 G HA2 0.673 4.633 3.960 0.000 0.000 0.290 79 G HA3 0.673 4.633 3.960 0.000 0.000 0.290 79 G C -1.787 173.138 174.900 0.042 0.000 1.437 79 G CA -0.868 44.087 45.100 -0.241 0.000 0.798 79 G HN 0.467 nan 8.290 nan 0.000 0.488 80 F N -0.269 119.667 119.950 -0.023 0.000 2.588 80 F HA 0.892 5.419 4.527 0.000 0.000 0.314 80 F C -0.002 175.863 175.800 0.109 0.000 1.069 80 F CA -1.357 56.674 58.000 0.051 0.000 0.931 80 F CB 1.996 41.003 39.000 0.013 0.000 1.260 80 F HN 0.679 nan 8.300 nan 0.000 0.465 81 S N -0.050 115.779 115.700 0.214 0.000 2.634 81 S HA 0.333 4.803 4.470 0.000 0.000 0.296 81 S C -0.020 174.667 174.600 0.146 0.000 1.104 81 S CA -0.658 57.629 58.200 0.146 0.000 0.920 81 S CB 1.573 64.789 63.200 0.026 0.000 1.111 81 S HN 0.846 nan 8.310 nan 0.000 0.493 82 N N 0.369 119.137 118.700 0.112 0.000 2.521 82 N HA 0.118 4.858 4.740 0.000 0.000 0.188 82 N C 0.143 175.648 175.510 -0.009 0.000 1.146 82 N CA 0.367 53.450 53.050 0.055 0.000 0.893 82 N CB -0.324 38.188 38.487 0.041 0.000 0.975 82 N HN 0.815 nan 8.380 nan 0.000 0.451 83 A N 0.418 123.219 122.820 -0.033 0.000 2.401 83 A HA 0.708 5.028 4.320 0.000 0.000 0.310 83 A C -2.885 174.652 177.584 -0.078 0.000 1.075 83 A CA -1.691 50.302 52.037 -0.072 0.000 0.746 83 A CB 1.398 20.325 19.000 -0.122 0.000 1.277 83 A HN 0.001 nan 8.150 nan 0.000 0.425 84 P HA 0.423 nan 4.420 nan 0.000 0.274 84 P C -0.877 176.359 177.300 -0.108 0.000 1.231 84 P CA -0.055 63.000 63.100 -0.074 0.000 0.790 84 P CB 0.587 32.260 31.700 -0.046 0.000 0.951 85 K N 1.238 121.580 120.400 -0.096 0.000 2.477 85 K HA 0.652 4.973 4.320 0.000 0.000 0.255 85 K C -1.379 175.201 176.600 -0.033 0.000 0.952 85 K CA -0.828 55.398 56.287 -0.103 0.000 0.826 85 K CB 1.580 33.997 32.500 -0.139 0.000 1.331 85 K HN 0.163 nan 8.250 nan 0.000 0.437 86 L N 2.497 123.737 121.223 0.029 0.000 2.362 86 L HA 0.584 4.924 4.340 0.000 0.000 0.271 86 L C -1.098 175.824 176.870 0.086 0.000 1.002 86 L CA -0.540 54.372 54.840 0.120 0.000 0.818 86 L CB 1.745 43.989 42.059 0.310 0.000 1.298 86 L HN 0.563 nan 8.230 nan 0.000 0.420 87 I N 3.260 123.901 120.570 0.118 0.000 2.468 87 I HA 0.254 4.424 4.170 0.000 0.000 0.285 87 I C -1.245 174.981 176.117 0.181 0.000 1.039 87 I CA -0.546 60.813 61.300 0.098 0.000 1.074 87 I CB 1.847 39.830 38.000 -0.027 0.000 1.228 87 I HN 0.363 nan 8.210 nan 0.000 0.436 88 F N 7.642 127.674 119.950 0.136 0.000 2.411 88 F HA 0.431 4.958 4.527 0.001 0.000 0.350 88 F C -0.097 175.718 175.800 0.024 0.000 1.114 88 F CA -0.525 57.522 58.000 0.078 0.000 1.135 88 F CB 1.157 40.209 39.000 0.087 0.000 1.120 88 F HN 0.072 nan 8.300 nan 0.000 0.495 89 V N 8.674 128.191 119.914 -0.662 0.000 2.338 89 V HA 0.211 4.331 4.120 0.000 0.000 0.255 89 V C 1.010 176.680 176.094 -0.707 0.000 1.082 89 V CA 0.529 62.548 62.300 -0.469 0.000 0.951 89 V CB -0.116 31.570 31.823 -0.229 0.000 1.102 89 V HN 1.027 nan 8.190 nan 0.000 0.489 90 A N 4.162 126.788 122.820 -0.323 0.000 2.016 90 A HA 0.059 4.379 4.320 0.000 0.000 0.217 90 A C 0.931 178.518 177.584 0.005 0.000 1.162 90 A CA 0.772 52.772 52.037 -0.061 0.000 0.662 90 A CB 0.123 19.257 19.000 0.223 0.000 0.812 90 A HN 0.722 nan 8.150 nan 0.000 0.450 91 Q N -2.522 117.282 119.800 0.007 0.000 2.438 91 Q HA 0.466 4.807 4.340 0.000 0.000 0.272 91 Q C -0.357 175.684 176.000 0.068 0.000 0.994 91 Q CA 0.003 55.838 55.803 0.053 0.000 0.887 91 Q CB 1.299 30.082 28.738 0.075 0.000 1.432 91 Q HN 1.363 nan 8.270 nan 0.000 0.392 92 G N 1.404 110.270 108.800 0.110 0.000 2.660 92 G HA2 0.011 3.972 3.960 0.000 0.000 0.247 92 G HA3 0.011 3.972 3.960 0.000 0.000 0.247 92 G C -1.267 173.781 174.900 0.247 0.000 1.328 92 G CA -0.272 44.890 45.100 0.102 0.000 0.884 92 G HN 1.211 nan 8.290 nan 0.000 0.531 93 F N -2.280 117.643 119.950 -0.046 0.000 2.678 93 F HA 0.915 5.442 4.527 0.001 0.000 0.308 93 F C 0.353 175.917 175.800 -0.394 0.000 1.118 93 F CA 0.001 57.893 58.000 -0.179 0.000 0.959 93 F CB 1.179 40.087 39.000 -0.152 0.000 1.305 93 F HN 1.883 nan 8.300 nan 0.000 0.443 94 G N 0.655 108.953 108.800 -0.837 0.000 2.500 94 G HA2 0.600 4.560 3.960 0.000 0.000 0.299 94 G HA3 0.600 4.560 3.960 0.000 0.000 0.299 94 G C -1.986 172.330 174.900 -0.973 0.000 1.242 94 G CA -0.414 44.227 45.100 -0.764 0.000 0.859 94 G HN 1.302 nan 8.290 nan 0.000 0.481 95 I N -1.506 118.896 120.570 -0.279 0.000 2.689 95 I HA 0.923 5.093 4.170 0.000 0.000 0.299 95 I C -0.427 175.810 176.117 0.200 0.000 1.059 95 I CA -1.289 60.008 61.300 -0.004 0.000 1.055 95 I CB 2.456 40.545 38.000 0.148 0.000 1.243 95 I HN 0.845 nan 8.210 nan 0.000 0.425 96 R N 2.888 123.388 120.500 -0.001 0.000 2.837 96 R HA 0.871 5.212 4.340 0.000 0.000 0.271 96 R C -0.959 174.802 176.300 -0.897 0.000 0.993 96 R CA -0.976 54.863 56.100 -0.435 0.000 0.931 96 R CB 2.074 32.323 30.300 -0.085 0.000 1.206 96 R HN 0.893 nan 8.270 nan 0.000 0.474 97 G N 1.693 109.591 108.800 -1.503 0.000 2.702 97 G HA2 0.536 4.496 3.960 0.000 0.000 0.295 97 G HA3 0.536 4.496 3.960 0.000 0.000 0.295 97 G C -1.426 173.192 174.900 -0.470 0.000 1.446 97 G CA -0.787 43.762 45.100 -0.919 0.000 0.983 97 G HN 0.627 nan 8.290 nan 0.000 0.520 98 I N 3.173 123.641 120.570 -0.169 0.000 2.517 98 I HA 0.480 4.651 4.170 0.000 0.000 0.280 98 I C 1.095 177.218 176.117 0.009 0.000 1.061 98 I CA -0.901 60.371 61.300 -0.046 0.000 1.091 98 I CB 1.614 39.577 38.000 -0.062 0.000 1.205 98 I HN 0.564 nan 8.210 nan 0.000 0.459 99 A N 6.982 129.838 122.820 0.060 0.000 1.859 99 A HA -0.130 4.190 4.320 0.000 0.000 0.218 99 A C 1.249 178.851 177.584 0.030 0.000 1.209 99 A CA 1.581 53.656 52.037 0.063 0.000 0.639 99 A CB -0.463 18.584 19.000 0.078 0.000 0.835 99 A HN 1.508 nan 8.150 nan 0.000 0.450 100 I N -0.905 119.670 120.570 0.008 0.000 8.319 100 I HA -0.128 4.043 4.170 0.000 0.000 0.126 100 I C -2.420 173.691 176.117 -0.010 0.000 1.836 100 I CA -0.603 60.691 61.300 -0.010 0.000 2.073 100 I CB -1.259 36.736 38.000 -0.008 0.000 3.775 100 I HN 0.399 nan 8.210 nan 0.000 0.180 101 P HA 0.147 nan 4.420 nan 0.000 0.264 101 P C 1.204 178.491 177.300 -0.021 0.000 1.173 101 P CA 1.322 64.401 63.100 -0.035 0.000 0.761 101 P CB 0.339 32.003 31.700 -0.060 0.000 0.794 102 G N 1.813 110.603 108.800 -0.017 0.000 2.347 102 G HA2 -0.320 3.641 3.960 0.000 0.000 0.247 102 G HA3 -0.320 3.641 3.960 0.000 0.000 0.247 102 G C 0.458 175.359 174.900 0.001 0.000 1.037 102 G CA 0.237 45.330 45.100 -0.011 0.000 0.622 102 G HN 0.657 nan 8.290 nan 0.000 0.521 103 c N 3.009 121.614 118.600 0.009 0.000 2.874 103 c HA 0.706 5.276 4.570 0.000 0.000 0.523 103 c C 1.595 175.710 174.090 0.042 0.000 1.234 103 c CA -0.519 55.824 56.329 0.024 0.000 1.485 103 c CB -1.307 41.219 42.510 0.028 0.000 1.916 103 c HN 1.034 nan 8.230 nan 0.000 0.630 104 A N 2.149 124.990 122.820 0.035 0.000 2.594 104 A HA 0.159 4.479 4.320 0.000 0.000 0.291 104 A C 0.742 178.368 177.584 0.070 0.000 1.374 104 A CA 0.186 52.252 52.037 0.049 0.000 1.025 104 A CB -0.269 18.749 19.000 0.030 0.000 1.072 104 A HN 0.846 nan 8.150 nan 0.000 0.555 105 E N 2.361 122.630 120.200 0.115 0.000 1.941 105 E HA 0.278 4.629 4.350 0.000 0.000 0.275 105 E C -0.586 176.169 176.600 0.259 0.000 1.113 105 E CA -0.386 56.130 56.400 0.193 0.000 0.878 105 E CB 0.244 30.095 29.700 0.251 0.000 1.070 105 E HN 0.311 nan 8.360 nan 0.000 0.399 106 T N 3.353 117.987 114.554 0.133 0.000 2.817 106 T HA 0.251 4.602 4.350 0.000 0.000 0.293 106 T C -1.111 173.586 174.700 -0.005 0.000 0.964 106 T CA 0.011 62.159 62.100 0.080 0.000 1.085 106 T CB 0.113 68.970 68.868 -0.018 0.000 0.921 106 T HN 0.338 nan 8.240 nan 0.000 0.502 107 Y N 1.361 121.564 120.300 -0.160 0.000 2.492 107 Y HA 0.383 4.933 4.550 0.000 0.000 0.346 107 Y C 0.035 175.704 175.900 -0.384 0.000 0.997 107 Y CA -1.094 56.861 58.100 -0.243 0.000 1.025 107 Y CB 2.004 40.316 38.460 -0.247 0.000 1.263 107 Y HN 0.493 nan 8.280 nan 0.000 0.454 108 Q N 1.632 121.333 119.800 -0.165 0.000 2.357 108 Q HA 0.362 4.702 4.340 0.000 0.000 0.266 108 Q C -0.817 175.094 176.000 -0.149 0.000 1.021 108 Q CA -0.904 54.782 55.803 -0.195 0.000 0.784 108 Q CB 1.422 30.067 28.738 -0.155 0.000 1.243 108 Q HN 0.689 nan 8.270 nan 0.000 0.465 109 T N 0.094 114.557 114.554 -0.152 0.000 2.750 109 T HA 0.053 4.403 4.350 0.000 0.000 0.286 109 T C 0.282 174.926 174.700 -0.093 0.000 0.911 109 T CA -0.907 61.172 62.100 -0.035 0.000 1.130 109 T CB 0.012 68.926 68.868 0.077 0.000 0.873 109 T HN 0.423 nan 8.240 nan 0.000 0.536 110 D N 2.951 123.315 120.400 -0.060 0.000 2.303 110 D HA -0.045 4.596 4.640 0.000 0.000 0.233 110 D C 0.961 177.223 176.300 -0.063 0.000 1.313 110 D CA -0.124 53.838 54.000 -0.062 0.000 0.883 110 D CB 0.670 41.451 40.800 -0.031 0.000 1.220 110 D HN 0.412 nan 8.370 nan 0.000 0.490 111 L N -0.605 120.590 121.223 -0.047 0.000 2.543 111 L HA 0.396 4.736 4.340 0.000 0.000 0.231 111 L C 1.238 178.103 176.870 -0.007 0.000 1.194 111 L CA -0.627 54.198 54.840 -0.025 0.000 0.823 111 L CB 0.105 42.156 42.059 -0.013 0.000 1.374 111 L HN 0.231 nan 8.230 nan 0.000 0.507 121 F N 1.550 121.500 119.950 -0.000 0.000 2.399 121 F HA 0.649 5.177 4.527 0.001 0.000 0.342 121 F C 0.197 175.999 175.800 0.004 0.000 1.106 121 F CA -0.018 57.983 58.000 0.002 0.000 1.196 121 F CB 0.731 39.733 39.000 0.002 0.000 1.163 121 F HN 0.080 nan 8.300 nan 0.000 0.547 122 K N 4.586 124.409 120.400 -0.962 0.000 2.463 122 K HA 0.179 4.499 4.320 0.000 0.000 0.255 122 K C -1.544 174.347 176.600 -1.183 0.000 0.942 122 K CA -0.862 54.936 56.287 -0.814 0.000 0.814 122 K CB 1.410 33.694 32.500 -0.360 0.000 1.122 122 K HN 0.666 nan 8.250 nan 0.000 0.425 123 D N 2.056 121.935 120.400 -0.867 0.000 2.264 123 D HA 0.050 4.690 4.640 0.000 0.000 0.249 123 D C -0.867 175.321 176.300 -0.185 0.000 1.070 123 D CA 0.063 53.823 54.000 -0.401 0.000 0.912 123 D CB 1.156 41.937 40.800 -0.032 0.000 1.193 123 D HN 0.305 nan 8.370 nan 0.000 0.427 124 Q N 1.666 121.429 119.800 -0.061 0.000 2.322 124 Q HA 0.486 4.826 4.340 0.000 0.000 0.265 124 Q C -1.228 174.787 176.000 0.025 0.000 0.985 124 Q CA -0.671 55.081 55.803 -0.084 0.000 0.849 124 Q CB 0.956 29.677 28.738 -0.028 0.000 1.274 124 Q HN 0.741 nan 8.270 nan 0.000 0.449 125 H N -0.068 119.066 119.070 0.106 0.000 2.902 125 H HA 0.207 4.764 4.556 0.000 0.000 0.297 125 H C -1.397 174.025 175.328 0.156 0.000 1.406 125 H CA -1.083 55.039 56.048 0.123 0.000 1.134 125 H CB 0.377 30.199 29.762 0.099 0.000 1.833 125 H HN 0.612 nan 8.280 nan 0.000 0.527 126 Q N 0.957 121.013 119.800 0.426 0.000 2.474 126 Q HA 0.098 4.438 4.340 0.000 0.000 0.256 126 Q C -0.148 175.928 176.000 0.126 0.000 1.048 126 Q CA -0.698 55.261 55.803 0.260 0.000 0.922 126 Q CB 1.185 30.055 28.738 0.219 0.000 1.288 126 Q HN 0.671 nan 8.270 nan 0.000 0.484 127 K N 1.348 121.584 120.400 -0.274 0.000 2.436 127 K HA 0.049 4.369 4.320 0.000 0.000 0.275 127 K C -0.594 175.881 176.600 -0.209 0.000 0.999 127 K CA -0.356 55.549 56.287 -0.638 0.000 0.980 127 K CB 0.462 32.617 32.500 -0.575 0.000 0.919 127 K HN 0.561 nan 8.250 nan 0.000 0.484 128 I N 5.389 125.864 120.570 -0.159 0.000 2.297 128 I HA 0.185 4.355 4.170 0.000 0.000 0.291 128 I C 0.019 176.100 176.117 -0.059 0.000 1.033 128 I CA -0.361 60.909 61.300 -0.049 0.000 1.253 128 I CB 0.953 38.957 38.000 0.006 0.000 1.396 128 I HN 0.599 nan 8.210 nan 0.000 0.476 129 R N 8.155 128.616 120.500 -0.065 0.000 2.229 129 R HA 0.405 4.745 4.340 0.000 0.000 0.332 129 R C -2.393 173.933 176.300 0.044 0.000 0.989 129 R CA -1.436 54.655 56.100 -0.016 0.000 0.842 129 R CB 1.166 31.453 30.300 -0.020 0.000 1.119 129 R HN 0.380 nan 8.270 nan 0.000 0.456 130 P HA 0.281 nan 4.420 nan 0.000 0.282 130 P C -1.114 176.228 177.300 0.071 0.000 1.259 130 P CA -0.389 62.696 63.100 -0.024 0.000 0.826 130 P CB 0.900 32.586 31.700 -0.023 0.000 1.064 131 F N -1.262 118.722 119.950 0.057 0.000 2.668 131 F HA 0.781 5.308 4.527 0.000 0.000 0.309 131 F C -0.780 175.067 175.800 0.079 0.000 1.117 131 F CA -1.249 56.771 58.000 0.033 0.000 0.951 131 F CB 1.463 40.467 39.000 0.006 0.000 1.323 131 F HN 0.458 nan 8.300 nan 0.000 0.451 132 R N -0.070 120.595 120.500 0.274 0.000 2.795 132 R HA 0.472 4.812 4.340 0.000 0.000 0.268 132 R C -1.257 175.124 176.300 0.134 0.000 1.041 132 R CA -1.090 55.125 56.100 0.192 0.000 0.927 132 R CB 1.459 31.761 30.300 0.005 0.000 1.235 132 R HN 0.820 nan 8.270 nan 0.000 0.463 133 E N -0.197 120.054 120.200 0.086 0.000 2.652 133 E HA 0.074 4.424 4.350 0.000 0.000 0.255 133 E C 0.420 176.965 176.600 -0.093 0.000 0.952 133 E CA 1.988 58.371 56.400 -0.029 0.000 0.947 133 E CB 0.119 29.830 29.700 0.018 0.000 0.912 133 E HN 0.820 nan 8.360 nan 0.000 0.489 134 G N 3.979 112.610 108.800 -0.282 0.000 2.213 134 G HA2 -0.200 3.760 3.960 0.000 0.000 0.226 134 G HA3 -0.200 3.760 3.960 0.000 0.000 0.226 134 G C -0.239 174.602 174.900 -0.099 0.000 0.992 134 G CA 0.006 45.017 45.100 -0.149 0.000 0.632 134 G HN 0.622 nan 8.290 nan 0.000 0.511 135 D N 0.735 121.049 120.400 -0.143 0.000 2.345 135 D HA 0.443 5.083 4.640 0.000 0.000 0.247 135 D C 0.150 176.421 176.300 -0.048 0.000 1.108 135 D CA -0.087 53.887 54.000 -0.043 0.000 0.894 135 D CB 1.499 42.312 40.800 0.021 0.000 1.203 135 D HN 0.162 nan 8.370 nan 0.000 0.430 136 L N 4.402 125.661 121.223 0.061 0.000 2.295 136 L HA 0.346 4.687 4.340 0.000 0.000 0.281 136 L C -1.032 175.866 176.870 0.047 0.000 1.018 136 L CA -0.424 54.493 54.840 0.129 0.000 0.841 136 L CB 0.126 42.275 42.059 0.150 0.000 1.218 136 L HN 0.277 nan 8.230 nan 0.000 0.424 137 L N 5.014 126.236 121.223 -0.001 0.000 2.379 137 L HA 0.598 4.938 4.340 0.000 0.000 0.269 137 L C -0.122 176.729 176.870 -0.032 0.000 1.084 137 L CA -0.841 53.966 54.840 -0.055 0.000 0.802 137 L CB 1.796 43.754 42.059 -0.168 0.000 1.175 137 L HN 0.241 nan 8.230 nan 0.000 0.448 138 V N 2.364 122.248 119.914 -0.050 0.000 2.628 138 V HA 0.486 4.606 4.120 0.000 0.000 0.306 138 V C -0.257 175.768 176.094 -0.116 0.000 1.045 138 V CA -0.572 61.699 62.300 -0.049 0.000 0.905 138 V CB 2.345 34.156 31.823 -0.019 0.000 0.997 138 V HN 0.454 nan 8.190 nan 0.000 0.436 139 V N 5.721 125.550 119.914 -0.142 0.000 2.501 139 V HA 0.329 4.450 4.120 0.000 0.000 0.277 139 V C -2.564 173.448 176.094 -0.136 0.000 1.004 139 V CA -1.499 60.670 62.300 -0.218 0.000 0.862 139 V CB 1.666 33.214 31.823 -0.459 0.000 1.035 139 V HN 0.721 nan 8.190 nan 0.000 0.448 140 P HA 0.237 nan 4.420 nan 0.000 0.270 140 P C -0.034 177.236 177.300 -0.050 0.000 1.223 140 P CA 0.061 63.127 63.100 -0.058 0.000 0.785 140 P CB 0.622 32.295 31.700 -0.045 0.000 0.923 141 A N 1.690 124.488 122.820 -0.037 0.000 2.462 141 A HA 0.440 4.760 4.320 0.000 0.000 0.243 141 A C 1.489 179.068 177.584 -0.008 0.000 1.076 141 A CA 0.679 52.706 52.037 -0.016 0.000 0.773 141 A CB -1.389 17.599 19.000 -0.021 0.000 1.010 141 A HN 0.860 nan 8.150 nan 0.000 0.493 142 G N 0.541 109.368 108.800 0.045 0.000 2.179 142 G HA2 -0.173 3.787 3.960 0.000 0.000 0.260 142 G HA3 -0.173 3.787 3.960 0.000 0.000 0.260 142 G C 0.175 175.024 174.900 -0.085 0.000 0.977 142 G CA 0.264 45.361 45.100 -0.006 0.000 0.641 142 G HN 1.458 nan 8.290 nan 0.000 0.533 143 V N 2.136 122.054 119.914 0.007 0.000 2.394 143 V HA 0.634 4.755 4.120 0.000 0.000 0.282 143 V C 0.926 177.108 176.094 0.147 0.000 1.031 143 V CA -0.063 62.241 62.300 0.006 0.000 0.881 143 V CB 1.567 33.380 31.823 -0.018 0.000 0.982 143 V HN 0.889 nan 8.190 nan 0.000 0.451 144 S N 4.315 120.117 115.700 0.169 0.000 2.584 144 S HA 0.681 5.151 4.470 0.000 0.000 0.273 144 S C -0.508 174.279 174.600 0.313 0.000 1.311 144 S CA -0.496 57.896 58.200 0.319 0.000 1.034 144 S CB 0.672 64.068 63.200 0.327 0.000 0.939 144 S HN 1.087 nan 8.310 nan 0.000 0.513 145 H N -0.645 118.496 119.070 0.120 0.000 3.037 145 H HA 0.773 5.329 4.556 0.001 0.000 0.355 145 H C -1.360 174.057 175.328 0.148 0.000 1.263 145 H CA -1.381 54.686 56.048 0.031 0.000 1.129 145 H CB 1.074 30.801 29.762 -0.059 0.000 1.861 145 H HN 0.863 nan 8.280 nan 0.000 0.546 146 W N 1.597 122.890 121.300 -0.011 0.000 3.127 146 W HA 0.668 5.328 4.660 0.001 0.000 0.330 146 W C -2.248 174.317 176.519 0.076 0.000 1.187 146 W CA -1.419 55.897 57.345 -0.048 0.000 1.198 146 W CB 1.479 30.964 29.460 0.042 0.000 1.408 146 W HN 0.560 nan 8.180 nan 0.000 0.529 147 M N 2.965 122.786 119.600 0.368 0.000 2.457 147 M HA 0.406 4.886 4.480 0.000 0.000 0.300 147 M C -1.846 174.766 176.300 0.519 0.000 1.141 147 M CA -0.875 54.651 55.300 0.377 0.000 0.901 147 M CB 3.474 36.192 32.600 0.198 0.000 1.687 147 M HN 0.462 nan 8.290 nan 0.000 0.449 148 Y N 1.775 122.331 120.300 0.427 0.000 2.425 148 Y HA 0.529 5.079 4.550 0.001 0.000 0.344 148 Y C -1.069 174.920 175.900 0.149 0.000 0.969 148 Y CA -0.937 57.332 58.100 0.282 0.000 1.052 148 Y CB 1.395 40.101 38.460 0.410 0.000 1.215 148 Y HN 0.695 nan 8.280 nan 0.000 0.451 149 N N 4.320 122.566 118.700 -0.757 0.000 2.419 149 N HA 0.225 4.966 4.740 0.000 0.000 0.264 149 N C -0.049 174.851 175.510 -1.016 0.000 1.031 149 N CA -0.496 52.161 53.050 -0.655 0.000 0.951 149 N CB 0.641 38.864 38.487 -0.441 0.000 1.101 149 N HN 0.852 nan 8.380 nan 0.000 0.488 150 R N 1.851 122.014 120.500 -0.563 0.000 2.543 150 R HA 0.383 4.723 4.340 0.000 0.000 0.323 150 R C 0.533 176.585 176.300 -0.414 0.000 1.002 150 R CA -0.640 55.315 56.100 -0.243 0.000 1.106 150 R CB 0.077 30.466 30.300 0.149 0.000 1.280 150 R HN 0.397 nan 8.270 nan 0.000 0.549 151 G N 0.075 108.438 108.800 -0.729 0.000 2.557 151 G HA2 0.148 4.108 3.960 0.000 0.000 0.302 151 G HA3 0.148 4.108 3.960 0.000 0.000 0.302 151 G C -0.007 174.670 174.900 -0.372 0.000 1.311 151 G CA -0.455 44.130 45.100 -0.859 0.000 1.030 151 G HN 0.036 nan 8.290 nan 0.000 0.509 152 Q N -0.856 118.809 119.800 -0.225 0.000 2.373 152 Q HA 0.089 4.430 4.340 0.000 0.000 0.210 152 Q C 1.841 177.791 176.000 -0.084 0.000 0.913 152 Q CA 0.406 56.148 55.803 -0.101 0.000 0.911 152 Q CB 0.126 28.850 28.738 -0.024 0.000 1.040 152 Q HN 0.565 nan 8.270 nan 0.000 0.521 153 S N 0.512 116.157 115.700 -0.091 0.000 2.681 153 S HA 0.229 4.699 4.470 0.000 0.000 0.270 153 S C 0.103 174.655 174.600 -0.080 0.000 1.209 153 S CA -0.807 57.364 58.200 -0.048 0.000 0.988 153 S CB 1.182 64.380 63.200 -0.004 0.000 1.006 153 S HN -0.045 nan 8.310 nan 0.000 0.558 154 D N 0.739 121.115 120.400 -0.039 0.000 2.345 154 D HA 0.176 4.817 4.640 0.000 0.000 0.247 154 D C -0.432 175.835 176.300 -0.055 0.000 1.108 154 D CA -0.105 53.863 54.000 -0.053 0.000 0.894 154 D CB 0.822 41.611 40.800 -0.018 0.000 1.203 154 D HN 0.450 nan 8.370 nan 0.000 0.430 155 L N 2.693 123.870 121.223 -0.076 0.000 2.261 155 L HA 0.187 4.527 4.340 0.000 0.000 0.289 155 L C -0.868 175.995 176.870 -0.013 0.000 1.059 155 L CA -0.519 54.303 54.840 -0.030 0.000 0.816 155 L CB 0.819 42.864 42.059 -0.023 0.000 1.191 155 L HN 0.022 nan 8.230 nan 0.000 0.431 156 V N 6.833 126.757 119.914 0.016 0.000 2.347 156 V HA 0.371 4.492 4.120 0.000 0.000 0.280 156 V C 0.069 176.180 176.094 0.028 0.000 1.021 156 V CA -0.450 61.865 62.300 0.025 0.000 0.847 156 V CB 1.515 33.378 31.823 0.067 0.000 0.990 156 V HN 0.564 nan 8.190 nan 0.000 0.444 157 L N 5.866 127.111 121.223 0.036 0.000 2.325 157 L HA 0.584 4.924 4.340 0.000 0.000 0.281 157 L C -0.662 176.215 176.870 0.013 0.000 1.004 157 L CA -0.652 54.204 54.840 0.026 0.000 0.823 157 L CB 1.895 43.987 42.059 0.054 0.000 1.236 157 L HN 0.381 nan 8.230 nan 0.000 0.415 158 I N 4.614 125.194 120.570 0.017 0.000 2.287 158 I HA 0.203 4.373 4.170 0.000 0.000 0.290 158 I C 0.081 176.179 176.117 -0.032 0.000 1.069 158 I CA -0.401 60.858 61.300 -0.068 0.000 1.237 158 I CB 1.203 39.152 38.000 -0.085 0.000 1.418 158 I HN 0.208 nan 8.210 nan 0.000 0.481 159 V N 7.678 127.512 119.914 -0.134 0.000 2.348 159 V HA 0.255 4.376 4.120 0.000 0.000 0.270 159 V C -0.191 175.710 176.094 -0.322 0.000 1.037 159 V CA -0.586 61.613 62.300 -0.168 0.000 0.872 159 V CB 1.088 32.847 31.823 -0.107 0.000 1.002 159 V HN 0.482 nan 8.190 nan 0.000 0.464 160 F N 5.020 124.550 119.950 -0.699 0.000 2.404 160 F HA 0.767 5.294 4.527 0.001 0.000 0.354 160 F C 0.250 175.769 175.800 -0.469 0.000 1.122 160 F CA -0.403 57.085 58.000 -0.854 0.000 1.080 160 F CB 0.906 38.857 39.000 -1.748 0.000 1.131 160 F HN 0.536 nan 8.300 nan 0.000 0.471 161 A N 4.658 126.892 122.820 -0.976 0.000 2.355 161 A HA 0.503 4.824 4.320 0.000 0.000 0.317 161 A C -1.722 175.306 177.584 -0.926 0.000 1.094 161 A CA -0.641 50.965 52.037 -0.719 0.000 0.764 161 A CB 1.197 19.962 19.000 -0.391 0.000 1.230 161 A HN 0.700 nan 8.150 nan 0.000 0.448 162 D N 1.640 121.663 120.400 -0.627 0.000 2.453 162 D HA 0.374 5.015 4.640 0.000 0.000 0.238 162 D C 1.194 177.355 176.300 -0.232 0.000 1.088 162 D CA 0.319 54.049 54.000 -0.450 0.000 0.854 162 D CB 1.305 41.939 40.800 -0.277 0.000 1.076 162 D HN 0.440 nan 8.370 nan 0.000 0.533 163 T N 1.174 115.612 114.554 -0.193 0.000 3.043 163 T HA 0.021 4.372 4.350 0.000 0.000 0.263 163 T C 1.208 175.870 174.700 -0.063 0.000 1.094 163 T CA 0.306 62.340 62.100 -0.110 0.000 1.127 163 T CB -0.025 68.795 68.868 -0.080 0.000 0.905 163 T HN 0.271 nan 8.240 nan 0.000 0.490 164 R N 2.250 122.716 120.500 -0.056 0.000 4.031 164 R HA 0.290 4.630 4.340 0.000 0.000 0.269 164 R C -0.063 176.231 176.300 -0.011 0.000 1.668 164 R CA -0.261 55.828 56.100 -0.017 0.000 1.432 164 R CB -0.192 30.110 30.300 0.004 0.000 1.374 164 R HN 0.365 nan 8.270 nan 0.000 0.681 165 N N 0.422 119.107 118.700 -0.026 0.000 2.405 165 N HA 0.008 4.749 4.740 0.000 0.000 0.299 165 N C 1.175 176.675 175.510 -0.016 0.000 1.075 165 N CA -0.109 52.929 53.050 -0.020 0.000 0.884 165 N CB 2.157 40.622 38.487 -0.035 0.000 1.194 165 N HN -0.060 nan 8.380 nan 0.000 0.491 166 V N 4.299 124.206 119.914 -0.012 0.000 2.370 166 V HA -0.290 3.831 4.120 0.000 0.000 0.252 166 V C 2.096 178.181 176.094 -0.016 0.000 1.068 166 V CA 2.840 65.132 62.300 -0.012 0.000 1.061 166 V CB -0.750 31.064 31.823 -0.015 0.000 0.656 166 V HN 0.810 nan 8.190 nan 0.000 0.455 167 A N 0.058 122.866 122.820 -0.020 0.000 2.067 167 A HA -0.101 4.220 4.320 0.000 0.000 0.219 167 A C 1.387 178.958 177.584 -0.020 0.000 1.158 167 A CA 1.333 53.357 52.037 -0.023 0.000 0.661 167 A CB -0.643 18.341 19.000 -0.027 0.000 0.801 167 A HN 0.701 nan 8.150 nan 0.000 0.452 168 N N 0.383 119.070 118.700 -0.021 0.000 2.439 168 N HA 0.233 4.973 4.740 0.000 0.000 0.249 168 N C 0.187 175.692 175.510 -0.007 0.000 1.003 168 N CA -0.089 52.951 53.050 -0.017 0.000 0.942 168 N CB 0.783 39.253 38.487 -0.028 0.000 1.115 168 N HN 0.343 nan 8.380 nan 0.000 0.505 169 Q N 2.990 122.789 119.800 -0.001 0.000 2.247 169 Q HA 0.245 4.586 4.340 0.000 0.000 0.204 169 Q C 0.684 176.694 176.000 0.016 0.000 0.872 169 Q CA 0.049 55.855 55.803 0.006 0.000 0.951 169 Q CB 0.722 29.462 28.738 0.004 0.000 1.099 169 Q HN 0.676 nan 8.270 nan 0.000 0.501 170 I N 0.820 121.402 120.570 0.019 0.000 4.236 170 I HA -0.020 4.151 4.170 0.000 0.000 0.224 170 I C 0.417 176.560 176.117 0.044 0.000 0.995 170 I CA 0.417 61.738 61.300 0.035 0.000 1.505 170 I CB 0.192 38.213 38.000 0.035 0.000 1.378 170 I HN 0.137 nan 8.210 nan 0.000 0.438 171 D N -0.349 120.082 120.400 0.052 0.000 2.596 171 D HA 0.188 4.829 4.640 0.000 0.000 0.262 171 D C -2.525 173.817 176.300 0.069 0.000 1.210 171 D CA -1.930 52.115 54.000 0.075 0.000 0.873 171 D CB 0.537 41.413 40.800 0.127 0.000 1.408 171 D HN -0.004 nan 8.370 nan 0.000 0.441 172 P HA 0.001 nan 4.420 nan 0.000 0.269 172 P C -0.787 176.581 177.300 0.113 0.000 1.376 172 P CA 0.285 63.421 63.100 0.061 0.000 0.775 172 P CB -0.702 31.027 31.700 0.049 0.000 1.345 173 Y N 0.618 120.911 120.300 -0.011 0.000 2.341 173 Y HA 0.498 5.049 4.550 0.000 0.000 0.338 173 Y C -0.698 175.191 175.900 -0.018 0.000 0.965 173 Y CA -2.608 55.484 58.100 -0.013 0.000 1.108 173 Y CB 0.795 39.251 38.460 -0.007 0.000 1.180 173 Y HN -0.269 nan 8.280 nan 0.000 0.458 174 L N 7.302 128.465 121.223 -0.100 0.000 2.462 174 L HA 0.391 4.732 4.340 0.000 0.000 0.272 174 L C -0.680 175.927 176.870 -0.439 0.000 1.166 174 L CA 0.407 55.112 54.840 -0.224 0.000 0.880 174 L CB 0.021 42.033 42.059 -0.079 0.000 1.142 174 L HN 0.791 nan 8.230 nan 0.000 0.473 175 R N 4.609 124.864 120.500 -0.408 0.000 2.513 175 R HA 0.458 4.799 4.340 0.000 0.000 0.301 175 R C -1.060 175.077 176.300 -0.272 0.000 0.968 175 R CA -0.869 54.969 56.100 -0.437 0.000 0.872 175 R CB 1.828 31.820 30.300 -0.512 0.000 1.177 175 R HN 0.472 nan 8.270 nan 0.000 0.444 176 K N 3.391 123.598 120.400 -0.322 0.000 2.413 176 K HA 0.348 4.668 4.320 0.000 0.000 0.257 176 K C -1.331 174.982 176.600 -0.477 0.000 0.946 176 K CA -0.534 55.585 56.287 -0.281 0.000 0.823 176 K CB 0.818 33.208 32.500 -0.183 0.000 1.109 176 K HN 0.311 nan 8.250 nan 0.000 0.427 177 F N 4.371 123.924 119.950 -0.663 0.000 2.350 177 F HA 0.280 4.807 4.527 0.000 0.000 0.365 177 F C -0.302 175.085 175.800 -0.689 0.000 1.122 177 F CA -0.484 57.060 58.000 -0.761 0.000 1.139 177 F CB 0.290 38.442 39.000 -1.412 0.000 1.220 177 F HN 0.390 nan 8.300 nan 0.000 0.499 178 Y N 3.246 123.452 120.300 -0.157 0.000 2.304 178 Y HA 0.240 4.790 4.550 0.000 0.000 0.328 178 Y C 1.224 177.128 175.900 0.007 0.000 1.123 178 Y CA -0.409 57.663 58.100 -0.048 0.000 1.218 178 Y CB 1.092 39.530 38.460 -0.036 0.000 1.207 178 Y HN 0.496 nan 8.280 nan 0.000 0.495 179 L N 2.170 123.535 121.223 0.236 0.000 2.341 179 L HA 0.242 4.582 4.340 0.000 0.000 0.214 179 L C 0.799 177.881 176.870 0.354 0.000 1.115 179 L CA 0.448 55.448 54.840 0.268 0.000 0.820 179 L CB -0.244 42.029 42.059 0.357 0.000 0.944 179 L HN 0.655 nan 8.230 nan 0.000 0.452 180 A N -1.016 121.976 122.820 0.286 0.000 2.569 180 A HA 0.707 5.027 4.320 0.000 0.000 0.290 180 A C 0.083 177.739 177.584 0.120 0.000 1.136 180 A CA 0.078 52.242 52.037 0.212 0.000 0.710 180 A CB 1.041 20.135 19.000 0.156 0.000 1.303 180 A HN 0.234 nan 8.150 nan 0.000 0.413 181 G N -0.313 108.523 108.800 0.060 0.000 2.693 181 G HA2 0.027 3.988 3.960 0.000 0.000 0.226 181 G HA3 0.027 3.988 3.960 0.000 0.000 0.226 181 G C -0.127 174.754 174.900 -0.031 0.000 1.354 181 G CA 0.225 45.318 45.100 -0.012 0.000 0.873 181 G HN 1.305 nan 8.290 nan 0.000 0.562 182 R N 0.938 121.388 120.500 -0.083 0.000 2.734 182 R HA 0.410 4.750 4.340 0.000 0.000 0.268 182 R C -2.583 173.634 176.300 -0.138 0.000 1.785 182 R CA -1.302 54.749 56.100 -0.083 0.000 1.461 182 R CB 1.665 31.938 30.300 -0.047 0.000 1.308 182 R HN 0.553 nan 8.270 nan 0.000 0.586 183 P HA 0.140 nan 4.420 nan 0.000 0.284 183 P C -0.940 176.270 177.300 -0.149 0.000 1.253 183 P CA -0.321 62.613 63.100 -0.277 0.000 0.800 183 P CB 1.341 32.666 31.700 -0.625 0.000 0.961 184 E N 1.763 121.903 120.200 -0.100 0.000 1.932 184 E HA 0.040 4.391 4.350 0.000 0.000 0.259 184 E C 0.044 176.626 176.600 -0.030 0.000 1.099 184 E CA -0.296 56.073 56.400 -0.053 0.000 0.970 184 E CB -0.140 29.539 29.700 -0.035 0.000 1.143 184 E HN 0.293 nan 8.360 nan 0.000 0.441 185 Q N 1.843 121.629 119.800 -0.024 0.000 3.113 185 Q HA -0.124 4.216 4.340 0.000 0.000 0.355 185 Q C 0.472 176.492 176.000 0.034 0.000 1.078 185 Q CA 0.514 56.328 55.803 0.018 0.000 1.197 185 Q CB 0.886 29.629 28.738 0.008 0.000 0.954 185 Q HN 0.423 nan 8.270 nan 0.000 0.415 186 V N 2.990 122.937 119.914 0.057 0.000 3.604 186 V HA -0.073 4.047 4.120 0.000 0.000 0.277 186 V C 1.073 177.215 176.094 0.081 0.000 1.399 186 V CA 0.530 62.866 62.300 0.059 0.000 1.034 186 V CB 0.445 32.301 31.823 0.055 0.000 0.824 186 V HN 0.629 nan 8.190 nan 0.000 0.439 187 E N 1.297 121.554 120.200 0.095 0.000 2.114 187 E HA -0.183 4.168 4.350 0.000 0.000 0.199 187 E C 1.778 178.445 176.600 0.112 0.000 1.008 187 E CA 1.686 58.142 56.400 0.094 0.000 0.810 187 E CB -0.044 29.698 29.700 0.070 0.000 0.739 187 E HN 0.426 nan 8.360 nan 0.000 0.456 188 R N -2.336 118.247 120.500 0.139 0.000 2.551 188 R HA 0.276 4.616 4.340 0.000 0.000 0.316 188 R C 1.293 177.643 176.300 0.084 0.000 0.934 188 R CA 0.555 56.752 56.100 0.163 0.000 1.117 188 R CB 0.165 30.697 30.300 0.387 0.000 1.626 188 R HN 0.236 nan 8.270 nan 0.000 0.513 189 G N 1.295 110.142 108.800 0.078 0.000 2.698 189 G HA2 -0.421 3.539 3.960 0.000 0.000 0.337 189 G HA3 -0.421 3.539 3.960 0.000 0.000 0.337 189 G C 0.749 175.644 174.900 -0.007 0.000 1.196 189 G CA 1.539 46.656 45.100 0.028 0.000 0.965 189 G HN 0.109 nan 8.290 nan 0.000 0.550 190 V N 2.113 121.999 119.914 -0.048 0.000 3.562 190 V HA 0.320 4.440 4.120 0.000 0.000 0.270 190 V C 0.856 176.866 176.094 -0.141 0.000 1.418 190 V CA 1.460 63.707 62.300 -0.089 0.000 1.033 190 V CB 0.124 31.911 31.823 -0.060 0.000 0.820 190 V HN 1.227 nan 8.190 nan 0.000 0.441 205 K N 2.041 122.426 120.400 -0.024 0.000 2.758 205 K HA 0.280 4.601 4.320 0.000 0.000 0.250 205 K C -0.403 176.180 176.600 -0.028 0.000 1.268 205 K CA -0.145 56.127 56.287 -0.024 0.000 1.228 205 K CB 0.251 32.739 32.500 -0.020 0.000 1.715 205 K HN 0.440 nan 8.250 nan 0.000 0.334 206 S N -0.626 115.055 115.700 -0.032 0.000 2.510 206 S HA 0.562 5.033 4.470 0.000 0.000 0.279 206 S C 0.665 175.241 174.600 -0.039 0.000 1.284 206 S CA -0.364 57.813 58.200 -0.039 0.000 1.059 206 S CB 1.137 64.312 63.200 -0.042 0.000 0.901 206 S HN 0.411 nan 8.310 nan 0.000 0.491 207 G N 2.658 111.437 108.800 -0.034 0.000 3.243 207 G HA2 0.575 4.535 3.960 0.000 0.000 0.248 207 G HA3 0.575 4.535 3.960 0.000 0.000 0.248 207 G C -0.682 174.216 174.900 -0.004 0.000 1.267 207 G CA -1.051 44.038 45.100 -0.019 0.000 0.906 207 G HN 0.853 nan 8.290 nan 0.000 0.592 208 N N -1.081 117.640 118.700 0.035 0.000 2.413 208 N HA 0.232 4.973 4.740 0.000 0.000 0.266 208 N C 1.601 177.121 175.510 0.017 0.000 1.238 208 N CA -0.210 52.880 53.050 0.066 0.000 0.972 208 N CB 0.843 39.412 38.487 0.135 0.000 1.210 208 N HN 0.643 nan 8.380 nan 0.000 0.547 209 I N -3.983 116.550 120.570 -0.061 0.000 2.530 209 I HA -0.132 4.039 4.170 0.000 0.000 0.257 209 I C 0.795 176.857 176.117 -0.092 0.000 1.179 209 I CA 1.300 62.532 61.300 -0.114 0.000 1.440 209 I CB -0.518 37.395 38.000 -0.144 0.000 1.087 209 I HN 0.310 nan 8.210 nan 0.000 0.440 210 F N 2.122 122.230 119.950 0.264 0.000 2.416 210 F HA -0.052 4.476 4.527 0.001 0.000 0.296 210 F C 2.856 178.785 175.800 0.215 0.000 1.099 210 F CA 0.880 59.071 58.000 0.318 0.000 1.427 210 F CB -0.306 38.806 39.000 0.186 0.000 1.079 210 F HN 0.163 nan 8.300 nan 0.000 0.536 211 S N -0.217 115.628 115.700 0.242 0.000 2.537 211 S HA -0.054 4.416 4.470 0.000 0.000 0.240 211 S C 2.003 176.642 174.600 0.064 0.000 0.981 211 S CA 0.887 59.169 58.200 0.136 0.000 0.948 211 S CB -0.837 62.410 63.200 0.077 0.000 0.759 211 S HN 0.344 nan 8.310 nan 0.000 0.531 212 G N -0.424 108.372 108.800 -0.006 0.000 2.939 212 G HA2 0.344 4.304 3.960 0.000 0.000 0.210 212 G HA3 0.344 4.304 3.960 0.000 0.000 0.210 212 G C -0.018 174.749 174.900 -0.221 0.000 1.160 212 G CA -0.361 44.644 45.100 -0.157 0.000 0.770 212 G HN 0.434 nan 8.290 nan 0.000 0.543 213 F N 0.797 120.824 119.950 0.128 0.000 2.399 213 F HA 0.669 5.196 4.527 0.000 0.000 0.328 213 F C 0.765 176.601 175.800 0.060 0.000 1.084 213 F CA -1.466 56.614 58.000 0.134 0.000 1.053 213 F CB 1.522 40.681 39.000 0.265 0.000 1.209 213 F HN 0.034 nan 8.300 nan 0.000 0.502 214 A N 1.885 124.809 122.820 0.172 0.000 2.462 214 A HA 0.113 4.433 4.320 0.000 0.000 0.243 214 A C 1.155 178.787 177.584 0.080 0.000 1.076 214 A CA -0.426 51.608 52.037 -0.006 0.000 0.773 214 A CB -0.014 18.816 19.000 -0.282 0.000 1.010 214 A HN 0.838 nan 8.150 nan 0.000 0.493 215 D N 1.238 121.672 120.400 0.058 0.000 2.133 215 D HA -0.235 4.405 4.640 0.000 0.000 0.192 215 D C 1.648 178.011 176.300 0.105 0.000 1.001 215 D CA 2.107 56.152 54.000 0.075 0.000 0.844 215 D CB -0.112 40.713 40.800 0.041 0.000 0.944 215 D HN 0.884 nan 8.370 nan 0.000 0.447 216 E N 0.443 120.700 120.200 0.094 0.000 2.021 216 E HA -0.215 4.136 4.350 0.000 0.000 0.200 216 E C 2.018 178.799 176.600 0.301 0.000 1.015 216 E CA 1.088 57.584 56.400 0.160 0.000 0.824 216 E CB -0.557 29.232 29.700 0.148 0.000 0.762 216 E HN 0.083 nan 8.360 nan 0.000 0.454 217 F N 0.694 120.691 119.950 0.078 0.000 2.085 217 F HA -0.222 4.305 4.527 0.000 0.000 0.299 217 F C 2.333 178.174 175.800 0.068 0.000 1.096 217 F CA 1.328 59.363 58.000 0.059 0.000 1.227 217 F CB -1.091 37.947 39.000 0.063 0.000 0.983 217 F HN 0.129 nan 8.300 nan 0.000 0.482 218 L N -0.805 120.607 121.223 0.315 0.000 2.201 218 L HA -0.170 4.170 4.340 0.000 0.000 0.212 218 L C 2.195 179.201 176.870 0.228 0.000 1.105 218 L CA 1.065 56.065 54.840 0.268 0.000 0.775 218 L CB -0.651 41.499 42.059 0.151 0.000 0.913 218 L HN 0.197 nan 8.230 nan 0.000 0.440 219 E N 0.081 120.377 120.200 0.160 0.000 2.047 219 E HA -0.243 4.107 4.350 0.000 0.000 0.191 219 E C 2.055 178.727 176.600 0.120 0.000 0.987 219 E CA 1.111 57.579 56.400 0.114 0.000 0.799 219 E CB 0.044 29.796 29.700 0.087 0.000 0.752 219 E HN 0.431 nan 8.360 nan 0.000 0.449 220 E N 0.713 120.981 120.200 0.114 0.000 2.028 220 E HA -0.196 4.155 4.350 0.000 0.000 0.191 220 E C 2.116 178.735 176.600 0.031 0.000 0.988 220 E CA 0.911 57.346 56.400 0.059 0.000 0.799 220 E CB -0.088 29.634 29.700 0.035 0.000 0.755 220 E HN 0.194 nan 8.360 nan 0.000 0.447 221 A N 0.440 123.283 122.820 0.038 0.000 1.884 221 A HA -0.202 4.119 4.320 0.000 0.000 0.219 221 A C 1.790 179.286 177.584 -0.146 0.000 1.197 221 A CA 1.820 53.813 52.037 -0.073 0.000 0.637 221 A CB -0.851 18.124 19.000 -0.041 0.000 0.827 221 A HN 0.393 nan 8.150 nan 0.000 0.450 222 F N -1.463 118.456 119.950 -0.052 0.000 2.749 222 F HA 0.216 4.743 4.527 0.000 0.000 0.300 222 F C 0.451 176.227 175.800 -0.040 0.000 1.103 222 F CA 0.299 58.266 58.000 -0.056 0.000 1.342 222 F CB 0.241 39.187 39.000 -0.089 0.000 1.098 222 F HN 0.152 nan 8.300 nan 0.000 0.586 223 Q N 1.427 121.305 119.800 0.131 0.000 2.449 223 Q HA -0.177 4.163 4.340 0.000 0.000 0.351 223 Q C -0.447 175.596 176.000 0.071 0.000 1.456 223 Q CA 0.913 56.759 55.803 0.071 0.000 0.951 223 Q CB -1.900 26.861 28.738 0.037 0.000 1.153 223 Q HN 0.737 nan 8.270 nan 0.000 0.341 224 I N -2.884 117.726 120.570 0.066 0.000 3.434 224 I HA 0.716 4.886 4.170 0.000 0.000 0.317 224 I C -0.527 175.601 176.117 0.019 0.000 1.230 224 I CA -1.357 59.962 61.300 0.031 0.000 0.918 224 I CB 1.936 39.939 38.000 0.006 0.000 1.337 224 I HN 0.019 nan 8.210 nan 0.000 0.482 225 D N 0.192 120.591 120.400 -0.001 0.000 2.384 225 D HA 0.453 5.094 4.640 0.000 0.000 0.250 225 D C 1.110 177.404 176.300 -0.010 0.000 1.029 225 D CA -0.391 53.609 54.000 0.000 0.000 0.990 225 D CB 1.485 42.283 40.800 -0.003 0.000 1.175 225 D HN 0.781 nan 8.370 nan 0.000 0.532 226 G N -0.290 108.509 108.800 -0.002 0.000 2.475 226 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 226 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 226 G C 1.376 176.265 174.900 -0.018 0.000 1.125 226 G CA 0.803 45.901 45.100 -0.005 0.000 0.755 226 G HN 0.630 nan 8.290 nan 0.000 0.565 227 G N 0.681 109.470 108.800 -0.019 0.000 2.440 227 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 227 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 227 G C 1.757 176.633 174.900 -0.039 0.000 1.154 227 G CA 0.762 45.847 45.100 -0.024 0.000 0.767 227 G HN 0.438 nan 8.290 nan 0.000 0.552 228 L N 0.015 121.207 121.223 -0.052 0.000 2.131 228 L HA -0.003 4.337 4.340 0.000 0.000 0.206 228 L C 3.012 179.811 176.870 -0.119 0.000 1.087 228 L CA 0.195 54.984 54.840 -0.085 0.000 0.767 228 L CB -0.188 41.815 42.059 -0.094 0.000 0.917 228 L HN 0.099 nan 8.230 nan 0.000 0.441 229 V N 0.013 119.867 119.914 -0.101 0.000 2.324 229 V HA -0.352 3.768 4.120 0.000 0.000 0.250 229 V C 2.600 178.652 176.094 -0.070 0.000 1.060 229 V CA 2.031 64.266 62.300 -0.107 0.000 1.042 229 V CB -0.642 31.155 31.823 -0.043 0.000 0.650 229 V HN 0.455 nan 8.190 nan 0.000 0.450 230 R N -0.283 120.192 120.500 -0.041 0.000 2.115 230 R HA -0.129 4.211 4.340 0.000 0.000 0.230 230 R C 2.384 178.667 176.300 -0.028 0.000 1.111 230 R CA 1.077 57.164 56.100 -0.021 0.000 0.976 230 R CB -0.069 30.223 30.300 -0.014 0.000 0.870 230 R HN 0.339 nan 8.270 nan 0.000 0.445 231 K N 0.451 120.821 120.400 -0.050 0.000 2.097 231 K HA -0.139 4.181 4.320 0.000 0.000 0.205 231 K C 1.970 178.536 176.600 -0.057 0.000 1.050 231 K CA 0.754 57.011 56.287 -0.050 0.000 0.938 231 K CB -0.375 32.087 32.500 -0.062 0.000 0.718 231 K HN 0.159 nan 8.250 nan 0.000 0.442 232 L N 2.166 123.323 121.223 -0.110 0.000 1.994 232 L HA -0.171 4.169 4.340 0.000 0.000 0.208 232 L C 1.925 178.808 176.870 0.021 0.000 1.071 232 L CA 1.899 56.649 54.840 -0.150 0.000 0.745 232 L CB -0.391 41.435 42.059 -0.389 0.000 0.892 232 L HN 0.035 nan 8.230 nan 0.000 0.431 233 K N -0.315 120.110 120.400 0.043 0.000 2.280 233 K HA -0.013 4.308 4.320 0.000 0.000 0.202 233 K C 1.147 177.793 176.600 0.077 0.000 1.047 233 K CA 0.743 57.096 56.287 0.110 0.000 0.942 233 K CB -0.559 31.991 32.500 0.083 0.000 0.739 233 K HN 0.589 nan 8.250 nan 0.000 0.457 234 G N 2.450 111.273 108.800 0.039 0.000 2.341 234 G HA2 -0.287 3.673 3.960 0.000 0.000 0.292 234 G HA3 -0.287 3.673 3.960 0.000 0.000 0.292 234 G C 0.471 175.379 174.900 0.013 0.000 1.021 234 G CA 0.557 45.670 45.100 0.022 0.000 0.905 234 G HN 0.324 nan 8.290 nan 0.000 0.508 235 E N -0.413 119.795 120.200 0.013 0.000 2.273 235 E HA -0.124 4.226 4.350 0.000 0.000 0.198 235 E C 1.307 177.905 176.600 -0.004 0.000 1.002 235 E CA 1.590 57.994 56.400 0.006 0.000 0.828 235 E CB 0.008 29.712 29.700 0.006 0.000 0.747 235 E HN 0.687 nan 8.360 nan 0.000 0.491 236 D N 0.075 120.471 120.400 -0.006 0.000 2.431 236 D HA 0.000 4.640 4.640 0.000 0.000 0.213 236 D C -0.303 175.988 176.300 -0.015 0.000 1.130 236 D CA -0.123 53.870 54.000 -0.011 0.000 0.834 236 D CB 0.339 41.132 40.800 -0.011 0.000 0.985 236 D HN -0.086 nan 8.370 nan 0.000 0.504 237 D N 1.256 121.646 120.400 -0.016 0.000 2.339 237 D HA 0.001 4.641 4.640 0.000 0.000 0.256 237 D C 0.555 176.837 176.300 -0.030 0.000 1.214 237 D CA 0.358 54.344 54.000 -0.023 0.000 0.877 237 D CB 0.815 41.601 40.800 -0.024 0.000 1.111 237 D HN 0.045 nan 8.370 nan 0.000 0.478 238 E N 3.166 123.349 120.200 -0.028 0.000 2.476 238 E HA 0.060 4.410 4.350 0.000 0.000 0.196 238 E C 1.194 177.774 176.600 -0.032 0.000 1.029 238 E CA -0.050 56.332 56.400 -0.029 0.000 0.896 238 E CB 0.446 30.133 29.700 -0.022 0.000 1.012 238 E HN 0.480 nan 8.360 nan 0.000 0.475 239 R N 0.892 121.370 120.500 -0.038 0.000 2.276 239 R HA -0.003 4.337 4.340 0.000 0.000 0.203 239 R C 0.293 176.561 176.300 -0.053 0.000 1.017 239 R CA 0.529 56.605 56.100 -0.040 0.000 1.010 239 R CB -0.019 30.255 30.300 -0.043 0.000 0.900 239 R HN 0.094 nan 8.270 nan 0.000 0.469 240 D N -0.708 119.648 120.400 -0.073 0.000 3.455 240 D HA -0.294 4.347 4.640 0.000 0.000 0.216 240 D C 0.863 177.067 176.300 -0.160 0.000 1.510 240 D CA 1.871 55.806 54.000 -0.108 0.000 1.128 240 D CB -0.422 40.335 40.800 -0.071 0.000 0.680 240 D HN 0.237 nan 8.370 nan 0.000 0.828 241 R N 0.571 120.955 120.500 -0.195 0.000 2.240 241 R HA 0.184 4.524 4.340 0.000 0.000 0.203 241 R C 0.604 176.833 176.300 -0.118 0.000 1.011 241 R CA 0.787 56.742 56.100 -0.243 0.000 1.007 241 R CB -0.083 30.020 30.300 -0.329 0.000 0.911 241 R HN 0.437 nan 8.270 nan 0.000 0.468 242 I N 3.323 123.842 120.570 -0.086 0.000 2.382 242 I HA 0.222 4.393 4.170 0.000 0.000 0.285 242 I C -0.218 175.863 176.117 -0.060 0.000 1.007 242 I CA -1.245 60.012 61.300 -0.073 0.000 1.142 242 I CB 1.921 39.877 38.000 -0.073 0.000 1.289 242 I HN -0.091 nan 8.210 nan 0.000 0.453 243 V N 2.770 122.645 119.914 -0.065 0.000 2.850 243 V HA 0.548 4.668 4.120 0.000 0.000 0.315 243 V C -0.341 175.708 176.094 -0.076 0.000 1.064 243 V CA -0.837 61.422 62.300 -0.068 0.000 0.979 243 V CB 1.770 33.546 31.823 -0.078 0.000 1.039 243 V HN 0.725 nan 8.190 nan 0.000 0.452 244 Q N 2.111 121.873 119.800 -0.063 0.000 2.288 244 Q HA 0.496 4.837 4.340 0.000 0.000 0.258 244 Q C -0.354 175.597 176.000 -0.082 0.000 0.957 244 Q CA -0.222 55.548 55.803 -0.056 0.000 0.919 244 Q CB 1.270 29.988 28.738 -0.032 0.000 1.185 244 Q HN 1.228 nan 8.270 nan 0.000 0.408 245 V N 1.338 121.193 119.914 -0.098 0.000 2.530 245 V HA 0.358 4.478 4.120 0.000 0.000 0.282 245 V C -0.212 175.859 176.094 -0.038 0.000 1.048 245 V CA -0.795 61.399 62.300 -0.177 0.000 0.997 245 V CB 1.084 32.680 31.823 -0.378 0.000 0.987 245 V HN 0.700 nan 8.190 nan 0.000 0.477 246 D N 3.393 123.783 120.400 -0.018 0.000 2.360 246 D HA 0.126 4.766 4.640 0.000 0.000 0.242 246 D C 1.525 177.862 176.300 0.061 0.000 1.184 246 D CA 0.490 54.504 54.000 0.022 0.000 0.930 246 D CB 0.691 41.499 40.800 0.014 0.000 1.161 246 D HN 0.897 nan 8.370 nan 0.000 0.447 247 E N 0.510 120.739 120.200 0.047 0.000 2.301 247 E HA -0.397 3.953 4.350 0.000 0.000 0.224 247 E C 0.439 177.077 176.600 0.062 0.000 1.092 247 E CA 1.899 58.329 56.400 0.050 0.000 0.913 247 E CB -0.135 29.585 29.700 0.033 0.000 0.776 247 E HN 0.416 nan 8.360 nan 0.000 0.465 248 D N 0.720 121.160 120.400 0.066 0.000 2.146 248 D HA -0.050 4.590 4.640 0.000 0.000 0.209 248 D C 0.602 176.945 176.300 0.071 0.000 0.973 248 D CA 0.241 54.275 54.000 0.056 0.000 0.860 248 D CB -0.710 40.113 40.800 0.038 0.000 1.015 248 D HN 0.206 nan 8.370 nan 0.000 0.465 249 F N 1.718 121.628 119.950 -0.067 0.000 2.292 249 F HA -0.153 4.374 4.527 0.000 0.000 0.369 249 F C 0.464 176.174 175.800 -0.150 0.000 1.045 249 F CA 0.689 58.613 58.000 -0.126 0.000 0.937 249 F CB 0.140 39.044 39.000 -0.159 0.000 0.852 249 F HN -0.089 nan 8.300 nan 0.000 0.521 250 E N 1.511 121.507 120.200 -0.341 0.000 2.209 250 E HA -0.015 4.335 4.350 0.000 0.000 0.192 250 E C 1.371 177.813 176.600 -0.263 0.000 0.979 250 E CA 0.389 56.646 56.400 -0.239 0.000 1.419 250 E CB -0.263 29.415 29.700 -0.037 0.000 3.128 250 E HN 0.319 nan 8.360 nan 0.000 0.975 251 V N 1.811 121.572 119.914 -0.254 0.000 2.660 251 V HA -0.269 3.851 4.120 0.000 0.000 0.257 251 V C 1.952 177.930 176.094 -0.195 0.000 1.088 251 V CA 1.684 63.881 62.300 -0.172 0.000 1.106 251 V CB -0.726 31.018 31.823 -0.131 0.000 0.686 251 V HN 0.249 nan 8.190 nan 0.000 0.481 252 L N -0.866 120.146 121.223 -0.351 0.000 2.127 252 L HA 0.013 4.353 4.340 0.000 0.000 0.203 252 L C 2.345 179.112 176.870 -0.172 0.000 1.080 252 L CA 0.795 55.455 54.840 -0.301 0.000 0.768 252 L CB -0.580 41.177 42.059 -0.504 0.000 0.924 252 L HN 0.235 nan 8.230 nan 0.000 0.444 253 L N 0.657 121.763 121.223 -0.194 0.000 2.151 253 L HA -0.198 4.143 4.340 0.000 0.000 0.215 253 L C -0.128 176.749 176.870 0.012 0.000 1.084 253 L CA 1.273 56.090 54.840 -0.039 0.000 0.764 253 L CB -2.342 39.721 42.059 0.008 0.000 0.891 253 L HN 0.348 nan 8.230 nan 0.000 0.435 254 P HA -0.095 nan 4.420 nan 0.000 0.226 254 P C 0.514 177.825 177.300 0.019 0.000 1.153 254 P CA 1.034 64.142 63.100 0.012 0.000 0.777 254 P CB 0.193 31.895 31.700 0.003 0.000 0.794 281 I N 0.412 120.985 120.570 0.006 0.000 2.264 281 I HA -0.056 4.114 4.170 0.000 0.000 0.248 281 I C 2.161 178.283 176.117 0.009 0.000 1.111 281 I CA 1.311 62.614 61.300 0.005 0.000 1.382 281 I CB -1.087 36.912 38.000 -0.001 0.000 1.060 281 I HN 0.315 nan 8.210 nan 0.000 0.418 282 c N 0.826 119.434 118.600 0.012 0.000 2.422 282 c HA -0.094 4.476 4.570 0.000 0.000 0.286 282 c C 2.708 176.815 174.090 0.027 0.000 1.412 282 c CA 1.496 57.837 56.329 0.020 0.000 1.786 282 c CB -1.786 40.738 42.510 0.024 0.000 1.835 282 c HN 0.666 nan 8.230 nan 0.000 0.533 283 T N -0.044 114.524 114.554 0.023 0.000 3.060 283 T HA 0.252 4.603 4.350 0.000 0.000 0.249 283 T C 0.517 175.231 174.700 0.023 0.000 1.079 283 T CA -0.061 62.055 62.100 0.026 0.000 1.013 283 T CB -0.116 68.765 68.868 0.022 0.000 0.975 283 T HN 0.354 nan 8.240 nan 0.000 0.518 284 L N 2.824 124.059 121.223 0.019 0.000 2.485 284 L HA 0.292 4.632 4.340 0.000 0.000 0.275 284 L C 0.874 177.754 176.870 0.017 0.000 1.207 284 L CA -0.227 54.624 54.840 0.018 0.000 0.855 284 L CB 0.370 42.439 42.059 0.016 0.000 1.114 284 L HN 0.090 nan 8.230 nan 0.000 0.485 285 R N 2.718 123.229 120.500 0.017 0.000 2.641 285 R HA 0.231 4.572 4.340 0.000 0.000 0.269 285 R C 0.337 176.643 176.300 0.010 0.000 1.074 285 R CA -0.250 55.858 56.100 0.015 0.000 1.133 285 R CB 0.577 30.887 30.300 0.016 0.000 1.029 285 R HN 0.582 nan 8.270 nan 0.000 0.488 286 L N 2.199 123.424 121.223 0.004 0.000 3.014 286 L HA 0.241 4.581 4.340 0.000 0.000 0.263 286 L C -0.107 176.758 176.870 -0.007 0.000 1.207 286 L CA -0.112 54.723 54.840 -0.007 0.000 1.017 286 L CB -0.252 41.794 42.059 -0.023 0.000 1.360 286 L HN 0.650 nan 8.230 nan 0.000 0.560 287 K N -0.175 120.229 120.400 0.007 0.000 2.607 287 K HA 0.557 4.877 4.320 0.000 0.000 0.287 287 K C -1.462 175.150 176.600 0.020 0.000 0.996 287 K CA -0.902 55.392 56.287 0.013 0.000 0.876 287 K CB 2.084 34.594 32.500 0.017 0.000 1.496 287 K HN -0.109 nan 8.250 nan 0.000 0.415 288 Q N 1.587 121.402 119.800 0.026 0.000 2.327 288 Q HA 0.232 4.572 4.340 0.000 0.000 0.265 288 Q C -1.937 174.083 176.000 0.032 0.000 0.993 288 Q CA -0.635 55.182 55.803 0.023 0.000 0.885 288 Q CB 2.173 30.922 28.738 0.018 0.000 1.379 288 Q HN 0.724 nan 8.270 nan 0.000 0.408 289 N N 3.555 122.271 118.700 0.026 0.000 2.422 289 N HA 0.303 5.044 4.740 0.000 0.000 0.264 289 N C 0.340 175.870 175.510 0.034 0.000 1.063 289 N CA -0.121 52.948 53.050 0.032 0.000 0.959 289 N CB 0.628 39.126 38.487 0.018 0.000 1.087 289 N HN 0.624 nan 8.380 nan 0.000 0.483 290 I N 0.455 121.064 120.570 0.066 0.000 3.856 290 I HA 0.516 4.686 4.170 0.000 0.000 0.330 290 I C 0.826 176.972 176.117 0.049 0.000 1.546 290 I CA -0.802 60.520 61.300 0.036 0.000 1.132 290 I CB 0.193 38.195 38.000 0.003 0.000 1.157 290 I HN 0.352 nan 8.210 nan 0.000 0.440 291 G N 2.015 110.859 108.800 0.073 0.000 2.494 291 G HA2 0.190 4.150 3.960 0.000 0.000 0.270 291 G HA3 0.190 4.150 3.960 0.000 0.000 0.270 291 G C 0.994 175.914 174.900 0.033 0.000 1.423 291 G CA -0.417 44.726 45.100 0.072 0.000 1.055 291 G HN 0.481 nan 8.290 nan 0.000 0.536 292 R N -0.952 119.570 120.500 0.036 0.000 2.235 292 R HA -0.034 4.307 4.340 0.000 0.000 0.213 292 R C 2.177 178.494 176.300 0.028 0.000 1.059 292 R CA 1.634 57.756 56.100 0.038 0.000 0.997 292 R CB -0.432 29.896 30.300 0.047 0.000 0.884 292 R HN 0.410 nan 8.270 nan 0.000 0.462 293 S N -0.134 115.575 115.700 0.014 0.000 2.453 293 S HA -0.025 4.446 4.470 0.000 0.000 0.231 293 S C 0.438 175.035 174.600 -0.006 0.000 1.005 293 S CA 0.079 58.280 58.200 0.001 0.000 0.949 293 S CB 0.069 63.264 63.200 -0.008 0.000 0.774 293 S HN 0.253 nan 8.310 nan 0.000 0.510 294 E N 1.214 121.412 120.200 -0.003 0.000 2.254 294 E HA 0.374 4.725 4.350 0.000 0.000 0.258 294 E C -0.377 176.210 176.600 -0.021 0.000 1.033 294 E CA -0.820 55.571 56.400 -0.015 0.000 0.893 294 E CB 0.770 30.462 29.700 -0.012 0.000 1.204 294 E HN 0.331 nan 8.360 nan 0.000 0.425 295 R N -0.012 120.463 120.500 -0.041 0.000 2.490 295 R HA 0.505 4.846 4.340 0.000 0.000 0.278 295 R C -0.913 175.365 176.300 -0.038 0.000 1.069 295 R CA -0.256 55.805 56.100 -0.065 0.000 1.080 295 R CB 0.744 30.990 30.300 -0.090 0.000 1.030 295 R HN 0.495 nan 8.270 nan 0.000 0.491 296 A N 2.994 125.805 122.820 -0.015 0.000 2.304 296 A HA 0.204 4.524 4.320 0.000 0.000 0.323 296 A C 0.159 177.753 177.584 0.018 0.000 1.195 296 A CA -0.743 51.310 52.037 0.027 0.000 0.826 296 A CB 1.196 20.268 19.000 0.121 0.000 1.184 296 A HN 0.933 nan 8.150 nan 0.000 0.496 297 D N 0.749 121.144 120.400 -0.009 0.000 2.144 297 D HA -0.094 4.546 4.640 0.000 0.000 0.199 297 D C 0.671 176.980 176.300 0.015 0.000 0.984 297 D CA 1.786 55.778 54.000 -0.014 0.000 0.834 297 D CB 0.327 41.108 40.800 -0.032 0.000 0.955 297 D HN 0.358 nan 8.370 nan 0.000 0.465 298 V N 0.205 120.136 119.914 0.027 0.000 2.370 298 V HA 0.486 4.606 4.120 0.000 0.000 0.283 298 V C -1.448 174.716 176.094 0.117 0.000 1.023 298 V CA -0.649 61.674 62.300 0.039 0.000 0.857 298 V CB 1.159 32.972 31.823 -0.016 0.000 0.985 298 V HN -0.075 nan 8.190 nan 0.000 0.443 299 F N 6.536 126.449 119.950 -0.062 0.000 2.588 299 F HA 0.578 5.105 4.527 0.000 0.000 0.314 299 F C -0.730 175.043 175.800 -0.046 0.000 1.134 299 F CA -0.573 57.389 58.000 -0.062 0.000 0.961 299 F CB 1.896 40.870 39.000 -0.043 0.000 1.239 299 F HN 0.570 nan 8.300 nan 0.000 0.448 300 N N 7.601 126.055 118.700 -0.410 0.000 2.573 300 N HA 0.357 5.097 4.740 0.000 0.000 0.262 300 N C -2.396 172.901 175.510 -0.355 0.000 1.029 300 N CA -2.216 50.695 53.050 -0.231 0.000 0.882 300 N CB 2.310 40.692 38.487 -0.175 0.000 1.204 300 N HN 0.218 nan 8.380 nan 0.000 0.519 301 P HA -0.168 nan 4.420 nan 0.000 0.220 301 P C 0.525 177.913 177.300 0.148 0.000 1.155 301 P CA 1.759 64.898 63.100 0.066 0.000 0.880 301 P CB 0.364 32.168 31.700 0.175 0.000 0.790 302 R N -2.454 118.115 120.500 0.115 0.000 2.334 302 R HA 0.251 4.591 4.340 0.000 0.000 0.212 302 R C 2.132 178.595 176.300 0.272 0.000 0.897 302 R CA 0.652 56.872 56.100 0.200 0.000 1.056 302 R CB -0.126 30.236 30.300 0.103 0.000 1.046 302 R HN 0.237 nan 8.270 nan 0.000 0.513 303 G N -0.099 108.704 108.800 0.005 0.000 2.742 303 G HA2 0.422 4.383 3.960 0.000 0.000 0.204 303 G HA3 0.422 4.383 3.960 0.000 0.000 0.204 303 G C 0.491 175.017 174.900 -0.624 0.000 1.126 303 G CA 0.632 45.648 45.100 -0.141 0.000 0.829 303 G HN 0.456 nan 8.290 nan 0.000 0.574 304 G N -0.523 107.716 108.800 -0.935 0.000 2.356 304 G HA2 0.456 4.416 3.960 0.000 0.000 0.266 304 G HA3 0.456 4.416 3.960 0.000 0.000 0.266 304 G C -1.397 173.066 174.900 -0.728 0.000 1.312 304 G CA -0.233 44.185 45.100 -1.137 0.000 0.922 304 G HN 0.920 nan 8.290 nan 0.000 0.480 305 R N -1.416 118.787 120.500 -0.494 0.000 2.716 305 R HA 0.796 5.136 4.340 0.000 0.000 0.271 305 R C -1.643 174.507 176.300 -0.249 0.000 1.028 305 R CA -1.088 54.828 56.100 -0.307 0.000 0.883 305 R CB 1.375 31.557 30.300 -0.197 0.000 1.250 305 R HN 0.634 nan 8.270 nan 0.000 0.465 306 I N 1.122 121.596 120.570 -0.161 0.000 2.534 306 I HA 0.293 4.463 4.170 0.000 0.000 0.288 306 I C -0.851 175.187 176.117 -0.132 0.000 1.077 306 I CA -0.843 60.338 61.300 -0.198 0.000 1.051 306 I CB 2.610 40.532 38.000 -0.130 0.000 1.234 306 I HN 0.615 nan 8.210 nan 0.000 0.425 307 S N 3.474 119.073 115.700 -0.167 0.000 2.449 307 S HA 0.556 5.027 4.470 0.000 0.000 0.310 307 S C -0.203 174.325 174.600 -0.120 0.000 1.096 307 S CA -0.574 57.559 58.200 -0.111 0.000 1.095 307 S CB 1.723 64.867 63.200 -0.094 0.000 1.007 307 S HN 0.538 nan 8.310 nan 0.000 0.474 308 T N 2.523 117.027 114.554 -0.083 0.000 2.895 308 T HA 0.699 5.049 4.350 0.000 0.000 0.283 308 T C -0.325 174.341 174.700 -0.056 0.000 1.014 308 T CA -0.625 61.429 62.100 -0.075 0.000 1.037 308 T CB 1.478 70.312 68.868 -0.056 0.000 1.006 308 T HN 0.664 nan 8.240 nan 0.000 0.468 309 A N 3.601 126.389 122.820 -0.053 0.000 2.466 309 A HA 0.674 4.995 4.320 0.000 0.000 0.291 309 A C -0.245 177.329 177.584 -0.017 0.000 1.234 309 A CA -0.941 51.078 52.037 -0.029 0.000 0.752 309 A CB 0.154 19.142 19.000 -0.020 0.000 1.153 309 A HN 0.844 nan 8.150 nan 0.000 0.458 310 N N -0.054 118.634 118.700 -0.020 0.000 2.966 310 N HA 0.344 5.084 4.740 0.000 0.000 0.314 310 N C 0.518 176.010 175.510 -0.031 0.000 1.397 310 N CA -0.469 52.576 53.050 -0.009 0.000 0.776 310 N CB 0.076 38.545 38.487 -0.030 0.000 1.576 310 N HN 0.471 nan 8.380 nan 0.000 0.592 311 Y N -1.931 118.307 120.300 -0.104 0.000 2.403 311 Y HA 0.039 4.589 4.550 0.000 0.000 0.291 311 Y C 1.446 177.282 175.900 -0.107 0.000 1.143 311 Y CA 1.151 59.179 58.100 -0.120 0.000 1.257 311 Y CB -0.556 37.806 38.460 -0.164 0.000 0.984 311 Y HN 0.480 nan 8.280 nan 0.000 0.550 312 H N 0.578 119.215 119.070 -0.723 0.000 2.428 312 H HA -0.053 4.504 4.556 0.001 0.000 0.296 312 H C 2.089 177.286 175.328 -0.219 0.000 1.062 312 H CA 1.915 57.647 56.048 -0.527 0.000 1.350 312 H CB -0.307 29.165 29.762 -0.484 0.000 1.403 312 H HN 0.644 nan 8.280 nan 0.000 0.533 313 T N -2.213 112.316 114.554 -0.043 0.000 3.015 313 T HA 0.152 4.502 4.350 0.000 0.000 0.250 313 T C 0.628 175.324 174.700 -0.006 0.000 1.057 313 T CA -0.059 62.029 62.100 -0.019 0.000 1.066 313 T CB 0.133 68.988 68.868 -0.022 0.000 0.959 313 T HN 0.009 nan 8.240 nan 0.000 0.488 314 L N 1.700 122.924 121.223 0.001 0.000 2.514 314 L HA 0.509 4.849 4.340 0.000 0.000 0.257 314 L C -2.435 174.464 176.870 0.048 0.000 1.101 314 L CA -2.055 52.799 54.840 0.022 0.000 0.911 314 L CB 1.967 44.039 42.059 0.022 0.000 1.162 314 L HN -0.234 nan 8.230 nan 0.000 0.477 315 P HA -0.241 nan 4.420 nan 0.000 0.219 315 P C 1.621 178.965 177.300 0.074 0.000 1.153 315 P CA 1.356 64.508 63.100 0.087 0.000 0.865 315 P CB 0.208 31.945 31.700 0.062 0.000 0.788 316 I N -1.227 119.371 120.570 0.046 0.000 2.530 316 I HA -0.187 3.983 4.170 0.000 0.000 0.257 316 I C 1.815 177.951 176.117 0.033 0.000 1.179 316 I CA 1.244 62.562 61.300 0.029 0.000 1.440 316 I CB -0.837 37.172 38.000 0.016 0.000 1.087 316 I HN -0.124 nan 8.210 nan 0.000 0.440 317 L N -0.225 121.032 121.223 0.057 0.000 2.191 317 L HA -0.197 4.143 4.340 0.000 0.000 0.212 317 L C 2.627 179.520 176.870 0.039 0.000 1.103 317 L CA 1.131 56.009 54.840 0.062 0.000 0.769 317 L CB -0.788 41.326 42.059 0.091 0.000 0.908 317 L HN 0.255 nan 8.230 nan 0.000 0.438 318 R N 0.024 120.542 120.500 0.030 0.000 2.127 318 R HA -0.209 4.131 4.340 0.000 0.000 0.238 318 R C 2.347 178.603 176.300 -0.075 0.000 1.134 318 R CA 1.441 57.485 56.100 -0.093 0.000 0.975 318 R CB -0.086 30.142 30.300 -0.119 0.000 0.865 318 R HN 0.383 nan 8.270 nan 0.000 0.447 319 Q N 0.531 120.311 119.800 -0.033 0.000 2.137 319 Q HA -0.074 4.266 4.340 0.000 0.000 0.198 319 Q C 1.920 177.905 176.000 -0.024 0.000 0.960 319 Q CA 1.641 57.425 55.803 -0.032 0.000 0.847 319 Q CB 0.320 29.045 28.738 -0.022 0.000 0.915 319 Q HN 0.394 nan 8.270 nan 0.000 0.448 320 V N -1.946 117.961 119.914 -0.010 0.000 3.235 320 V HA 0.147 4.268 4.120 0.000 0.000 0.259 320 V C 0.543 176.641 176.094 0.007 0.000 1.133 320 V CA 0.610 62.909 62.300 -0.003 0.000 1.128 320 V CB -0.518 31.311 31.823 0.009 0.000 0.757 320 V HN 0.338 nan 8.190 nan 0.000 0.469 321 R N -0.033 120.467 120.500 0.001 0.000 3.332 321 R HA -0.114 4.226 4.340 0.000 0.000 0.263 321 R C -0.668 175.659 176.300 0.047 0.000 1.053 321 R CA 0.700 56.801 56.100 0.002 0.000 0.705 321 R CB -2.295 27.999 30.300 -0.010 0.000 1.166 321 R HN 0.579 nan 8.270 nan 0.000 0.427 322 L N -0.805 120.459 121.223 0.069 0.000 2.409 322 L HA 0.725 5.065 4.340 0.000 0.000 0.255 322 L C 0.230 177.153 176.870 0.089 0.000 1.027 322 L CA -0.877 54.031 54.840 0.113 0.000 0.834 322 L CB 2.483 44.648 42.059 0.177 0.000 1.426 322 L HN 0.295 nan 8.230 nan 0.000 0.411 323 S N -0.047 115.696 115.700 0.072 0.000 2.643 323 S HA 0.967 5.437 4.470 0.000 0.000 0.270 323 S C -1.263 173.324 174.600 -0.022 0.000 1.166 323 S CA -0.426 57.795 58.200 0.035 0.000 0.815 323 S CB 2.213 65.431 63.200 0.031 0.000 1.139 323 S HN 1.022 nan 8.310 nan 0.000 0.472 324 A N 0.091 122.866 122.820 -0.074 0.000 2.606 324 A HA 0.849 5.169 4.320 0.000 0.000 0.293 324 A C -1.567 175.899 177.584 -0.197 0.000 1.082 324 A CA -0.733 51.182 52.037 -0.202 0.000 0.685 324 A CB 1.563 20.388 19.000 -0.292 0.000 1.284 324 A HN 0.803 nan 8.150 nan 0.000 0.408 325 E N 0.731 120.772 120.200 -0.264 0.000 2.256 325 E HA 0.428 4.778 4.350 0.000 0.000 0.268 325 E C -1.124 175.235 176.600 -0.402 0.000 0.877 325 E CA -0.920 55.341 56.400 -0.232 0.000 0.757 325 E CB 2.367 32.003 29.700 -0.106 0.000 1.183 325 E HN 0.432 nan 8.360 nan 0.000 0.418 326 R N 2.076 122.301 120.500 -0.460 0.000 2.288 326 R HA 0.471 4.811 4.340 0.000 0.000 0.326 326 R C -0.737 175.077 176.300 -0.809 0.000 0.959 326 R CA -0.362 55.331 56.100 -0.678 0.000 0.834 326 R CB 1.201 31.215 30.300 -0.477 0.000 1.157 326 R HN 0.724 nan 8.270 nan 0.000 0.470 327 G N 1.489 109.362 108.800 -1.545 0.000 2.441 327 G HA2 0.564 4.524 3.960 0.000 0.000 0.334 327 G HA3 0.564 4.524 3.960 0.000 0.000 0.334 327 G C -1.274 172.801 174.900 -1.376 0.000 1.161 327 G CA -0.340 43.696 45.100 -1.774 0.000 0.935 327 G HN 0.342 nan 8.290 nan 0.000 0.488 328 V N 1.856 121.320 119.914 -0.750 0.000 2.567 328 V HA 0.383 4.503 4.120 0.000 0.000 0.298 328 V C -0.438 175.527 176.094 -0.215 0.000 1.047 328 V CA -0.490 61.587 62.300 -0.372 0.000 0.880 328 V CB 1.507 33.172 31.823 -0.264 0.000 1.009 328 V HN 0.615 nan 8.190 nan 0.000 0.429 329 L N 4.935 126.179 121.223 0.035 0.000 2.322 329 L HA 0.601 4.942 4.340 0.000 0.000 0.281 329 L C -0.613 176.337 176.870 0.132 0.000 1.014 329 L CA -0.593 54.290 54.840 0.072 0.000 0.815 329 L CB 1.911 44.158 42.059 0.313 0.000 1.247 329 L HN 0.542 nan 8.230 nan 0.000 0.421 330 Y N 0.805 121.137 120.300 0.054 0.000 2.299 330 Y HA 0.080 4.630 4.550 0.000 0.000 0.335 330 Y C 1.173 177.109 175.900 0.061 0.000 1.287 330 Y CA -1.021 57.101 58.100 0.036 0.000 1.424 330 Y CB 1.074 39.532 38.460 -0.002 0.000 1.326 330 Y HN 0.521 nan 8.280 nan 0.000 0.567 331 S N 1.684 117.522 115.700 0.229 0.000 2.702 331 S HA -0.143 4.327 4.470 0.000 0.000 0.314 331 S C 0.353 175.025 174.600 0.121 0.000 1.244 331 S CA 0.675 58.961 58.200 0.142 0.000 1.058 331 S CB -0.479 62.774 63.200 0.089 0.000 0.783 331 S HN 0.851 nan 8.310 nan 0.000 0.503 332 N N -1.044 117.714 118.700 0.096 0.000 2.863 332 N HA -0.235 4.506 4.740 0.000 0.000 0.245 332 N C -0.001 175.551 175.510 0.070 0.000 1.001 332 N CA 0.561 53.652 53.050 0.068 0.000 0.901 332 N CB -1.285 37.234 38.487 0.053 0.000 1.124 332 N HN 0.783 nan 8.380 nan 0.000 0.582 333 A N 0.409 123.287 122.820 0.098 0.000 2.386 333 A HA 0.563 4.884 4.320 0.000 0.000 0.248 333 A C 0.326 177.949 177.584 0.064 0.000 1.082 333 A CA 0.083 52.167 52.037 0.079 0.000 0.789 333 A CB 0.552 19.597 19.000 0.075 0.000 1.025 333 A HN 0.298 nan 8.150 nan 0.000 0.490 334 M N 2.692 122.320 119.600 0.046 0.000 2.393 334 M HA 0.522 5.002 4.480 0.000 0.000 0.299 334 M C -1.760 174.570 176.300 0.050 0.000 1.103 334 M CA -0.604 54.720 55.300 0.040 0.000 0.910 334 M CB 1.834 34.449 32.600 0.025 0.000 1.659 334 M HN 0.379 nan 8.290 nan 0.000 0.445 335 V N 4.148 124.101 119.914 0.065 0.000 2.432 335 V HA 0.483 4.604 4.120 0.000 0.000 0.275 335 V C 0.647 176.805 176.094 0.107 0.000 1.043 335 V CA -0.544 61.808 62.300 0.087 0.000 0.925 335 V CB 0.988 32.882 31.823 0.118 0.000 0.985 335 V HN 0.988 nan 8.190 nan 0.000 0.466 336 A N 8.926 131.804 122.820 0.096 0.000 2.507 336 A HA 0.382 4.702 4.320 0.000 0.000 0.235 336 A C -2.004 175.710 177.584 0.217 0.000 1.070 336 A CA -0.837 51.266 52.037 0.111 0.000 0.768 336 A CB -0.367 18.677 19.000 0.074 0.000 1.011 336 A HN 0.683 nan 8.150 nan 0.000 0.502 337 P HA 0.133 nan 4.420 nan 0.000 0.264 337 P C -0.632 176.781 177.300 0.188 0.000 1.193 337 P CA 0.991 64.156 63.100 0.108 0.000 0.763 337 P CB 0.295 32.029 31.700 0.057 0.000 0.810 338 H N 1.298 120.422 119.070 0.091 0.000 2.917 338 H HA 0.483 5.040 4.556 0.000 0.000 0.299 338 H C -1.539 173.903 175.328 0.191 0.000 1.418 338 H CA -0.834 55.271 56.048 0.095 0.000 1.138 338 H CB 0.752 30.518 29.762 0.005 0.000 1.830 338 H HN 0.500 nan 8.280 nan 0.000 0.514 339 Y N -1.314 119.026 120.300 0.066 0.000 2.597 339 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 339 Y C -1.327 174.655 175.900 0.137 0.000 1.097 339 Y CA -1.081 57.041 58.100 0.037 0.000 1.037 339 Y CB 1.481 39.960 38.460 0.032 0.000 1.305 339 Y HN 0.646 nan 8.280 nan 0.000 0.463 340 T N 2.477 117.144 114.554 0.187 0.000 2.744 340 T HA 0.254 4.605 4.350 0.000 0.000 0.291 340 T C 0.999 175.783 174.700 0.139 0.000 0.957 340 T CA -0.210 61.935 62.100 0.075 0.000 1.002 340 T CB 1.385 70.302 68.868 0.082 0.000 0.919 340 T HN 0.922 nan 8.240 nan 0.000 0.468 341 V N 2.731 122.674 119.914 0.047 0.000 2.719 341 V HA -0.017 4.104 4.120 0.000 0.000 0.252 341 V C 1.338 177.477 176.094 0.075 0.000 1.065 341 V CA 1.537 63.922 62.300 0.142 0.000 1.086 341 V CB -0.354 31.524 31.823 0.092 0.000 0.700 341 V HN 0.901 nan 8.190 nan 0.000 0.467 342 N N 0.723 119.437 118.700 0.023 0.000 2.197 342 N HA 0.199 4.939 4.740 0.000 0.000 0.228 342 N C -0.043 175.432 175.510 -0.057 0.000 1.212 342 N CA 0.553 53.597 53.050 -0.010 0.000 0.883 342 N CB 0.583 39.071 38.487 0.003 0.000 1.107 342 N HN 0.776 nan 8.380 nan 0.000 0.519 343 S N -1.198 114.451 115.700 -0.084 0.000 2.611 343 S HA 0.362 4.833 4.470 0.000 0.000 0.268 343 S C -1.354 173.138 174.600 -0.179 0.000 1.156 343 S CA -0.853 57.257 58.200 -0.151 0.000 0.817 343 S CB 1.484 64.661 63.200 -0.038 0.000 1.122 343 S HN 0.113 nan 8.310 nan 0.000 0.466 344 H N 0.683 119.770 119.070 0.028 0.000 2.505 344 H HA 0.680 5.236 4.556 0.000 0.000 0.355 344 H C -0.299 175.037 175.328 0.014 0.000 1.179 344 H CA -0.180 55.874 56.048 0.010 0.000 1.343 344 H CB 1.567 31.337 29.762 0.014 0.000 1.501 344 H HN 0.638 nan 8.280 nan 0.000 0.569 345 S N 1.407 117.188 115.700 0.135 0.000 2.774 345 S HA 0.293 4.764 4.470 0.000 0.000 0.297 345 S C -0.905 173.721 174.600 0.044 0.000 1.143 345 S CA -0.758 57.477 58.200 0.059 0.000 1.090 345 S CB -0.015 63.221 63.200 0.060 0.000 1.019 345 S HN 0.333 nan 8.310 nan 0.000 0.482 346 V N 6.958 126.878 119.914 0.010 0.000 2.304 346 V HA 0.366 4.486 4.120 0.000 0.000 0.262 346 V C 0.357 176.497 176.094 0.078 0.000 1.061 346 V CA -0.403 61.928 62.300 0.052 0.000 0.872 346 V CB 0.608 32.468 31.823 0.063 0.000 1.077 346 V HN 0.937 nan 8.190 nan 0.000 0.480 347 M N 6.042 125.677 119.600 0.059 0.000 2.120 347 M HA 0.420 4.900 4.480 0.000 0.000 0.354 347 M C -1.257 175.124 176.300 0.135 0.000 1.287 347 M CA -0.464 54.872 55.300 0.060 0.000 1.103 347 M CB 0.630 33.180 32.600 -0.083 0.000 1.623 347 M HN 0.693 nan 8.290 nan 0.000 0.471 348 Y N 4.735 125.072 120.300 0.062 0.000 2.328 348 Y HA 0.636 5.187 4.550 0.001 0.000 0.337 348 Y C -0.741 175.215 175.900 0.093 0.000 0.966 348 Y CA -0.899 57.249 58.100 0.080 0.000 1.136 348 Y CB 1.121 39.638 38.460 0.095 0.000 1.170 348 Y HN 0.785 nan 8.280 nan 0.000 0.470 349 A N 4.151 126.701 122.820 -0.449 0.000 2.404 349 A HA 0.289 4.610 4.320 0.000 0.000 0.273 349 A C 1.012 178.353 177.584 -0.405 0.000 1.144 349 A CA 0.245 52.084 52.037 -0.329 0.000 0.806 349 A CB -0.176 18.788 19.000 -0.060 0.000 1.080 349 A HN 0.963 nan 8.150 nan 0.000 0.509 350 T N 0.184 114.660 114.554 -0.130 0.000 3.057 350 T HA 0.286 4.637 4.350 0.000 0.000 0.254 350 T C 0.776 175.512 174.700 0.059 0.000 1.094 350 T CA 0.346 62.504 62.100 0.096 0.000 1.088 350 T CB 0.061 69.042 68.868 0.188 0.000 0.934 350 T HN 0.658 nan 8.240 nan 0.000 0.497 351 R N -0.737 119.747 120.500 -0.026 0.000 2.687 351 R HA 0.483 4.823 4.340 0.000 0.000 0.265 351 R C 0.017 176.362 176.300 0.076 0.000 1.048 351 R CA 0.116 56.241 56.100 0.042 0.000 0.884 351 R CB 1.458 31.792 30.300 0.057 0.000 1.258 351 R HN 0.432 nan 8.270 nan 0.000 0.469 352 G N 1.987 110.876 108.800 0.148 0.000 2.598 352 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 352 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 352 G C -1.123 173.988 174.900 0.351 0.000 1.302 352 G CA 0.090 45.332 45.100 0.235 0.000 0.903 352 G HN 0.930 nan 8.290 nan 0.000 0.575 353 N N -0.434 118.519 118.700 0.422 0.000 2.823 353 N HA 0.772 5.512 4.740 0.000 0.000 0.251 353 N C -0.689 174.791 175.510 -0.050 0.000 1.392 353 N CA 0.043 53.254 53.050 0.269 0.000 0.864 353 N CB 1.533 40.092 38.487 0.119 0.000 1.481 353 N HN 2.388 nan 8.380 nan 0.000 0.508 354 A N 0.297 122.844 122.820 -0.456 0.000 2.612 354 A HA 0.620 4.940 4.320 0.000 0.000 0.293 354 A C -1.394 175.974 177.584 -0.360 0.000 1.075 354 A CA -0.790 50.911 52.037 -0.560 0.000 0.680 354 A CB 1.714 19.972 19.000 -1.236 0.000 1.279 354 A HN 0.726 nan 8.150 nan 0.000 0.411 355 R N 0.676 121.038 120.500 -0.229 0.000 2.312 355 R HA 0.647 4.988 4.340 0.000 0.000 0.311 355 R C -1.498 174.731 176.300 -0.119 0.000 1.004 355 R CA -0.192 55.830 56.100 -0.129 0.000 0.902 355 R CB 1.057 31.303 30.300 -0.090 0.000 1.073 355 R HN 0.537 nan 8.270 nan 0.000 0.457 356 V N 4.329 124.240 119.914 -0.005 0.000 2.656 356 V HA 0.346 4.467 4.120 0.000 0.000 0.307 356 V C -0.665 175.536 176.094 0.179 0.000 1.051 356 V CA -0.842 61.498 62.300 0.066 0.000 0.893 356 V CB 2.006 33.879 31.823 0.083 0.000 0.999 356 V HN 0.781 nan 8.190 nan 0.000 0.426 357 Q N 2.544 122.407 119.800 0.105 0.000 2.356 357 Q HA 0.771 5.111 4.340 0.000 0.000 0.270 357 Q C -1.607 174.459 176.000 0.111 0.000 1.058 357 Q CA -0.698 55.166 55.803 0.102 0.000 0.802 357 Q CB 3.117 31.863 28.738 0.014 0.000 1.303 357 Q HN 0.564 nan 8.270 nan 0.000 0.444 358 V N 2.142 122.151 119.914 0.159 0.000 2.656 358 V HA 0.555 4.675 4.120 0.000 0.000 0.307 358 V C -0.513 175.630 176.094 0.083 0.000 1.051 358 V CA -0.746 61.636 62.300 0.136 0.000 0.893 358 V CB 2.076 34.032 31.823 0.222 0.000 0.999 358 V HN 0.514 nan 8.190 nan 0.000 0.426 359 V N 3.425 123.340 119.914 0.002 0.000 2.680 359 V HA 0.565 4.685 4.120 0.000 0.000 0.309 359 V C -0.532 175.372 176.094 -0.316 0.000 1.052 359 V CA -0.630 61.611 62.300 -0.097 0.000 0.908 359 V CB 2.200 33.972 31.823 -0.084 0.000 1.001 359 V HN 1.085 nan 8.190 nan 0.000 0.431 360 D N 1.727 121.869 120.400 -0.430 0.000 2.564 360 D HA 0.159 4.800 4.640 0.000 0.000 0.273 360 D C 0.823 176.788 176.300 -0.558 0.000 1.192 360 D CA -0.520 52.960 54.000 -0.865 0.000 1.080 360 D CB 0.280 40.606 40.800 -0.790 0.000 1.160 360 D HN 0.542 nan 8.370 nan 0.000 0.607 361 N N -1.410 116.904 118.700 -0.643 0.000 2.520 361 N HA -0.082 4.658 4.740 0.000 0.000 0.185 361 N C 0.647 175.864 175.510 -0.488 0.000 1.068 361 N CA 0.616 53.344 53.050 -0.535 0.000 0.911 361 N CB -0.385 37.754 38.487 -0.580 0.000 0.961 361 N HN 0.167 nan 8.380 nan 0.000 0.446 362 F N -0.029 119.825 119.950 -0.159 0.000 2.765 362 F HA 0.389 4.917 4.527 0.000 0.000 0.302 362 F C 1.845 177.587 175.800 -0.096 0.000 1.111 362 F CA 0.052 57.992 58.000 -0.101 0.000 1.359 362 F CB 0.000 38.953 39.000 -0.078 0.000 1.097 362 F HN 0.190 nan 8.300 nan 0.000 0.577 363 G N 0.133 108.924 108.800 -0.014 0.000 2.143 363 G HA2 -0.239 3.721 3.960 0.000 0.000 0.248 363 G HA3 -0.239 3.721 3.960 0.000 0.000 0.248 363 G C 0.241 175.138 174.900 -0.005 0.000 0.991 363 G CA -0.190 44.893 45.100 -0.028 0.000 0.689 363 G HN 0.229 nan 8.290 nan 0.000 0.522 364 Q N 0.161 119.971 119.800 0.017 0.000 2.222 364 Q HA 0.557 4.898 4.340 0.000 0.000 0.252 364 Q C 0.332 176.330 176.000 -0.004 0.000 0.926 364 Q CA -0.204 55.610 55.803 0.018 0.000 0.899 364 Q CB 1.668 30.437 28.738 0.052 0.000 1.250 364 Q HN 0.298 nan 8.270 nan 0.000 0.441 365 S N 0.825 116.526 115.700 0.001 0.000 2.455 365 S HA 0.174 4.644 4.470 0.000 0.000 0.278 365 S C 0.830 175.457 174.600 0.046 0.000 1.216 365 S CA -0.507 57.699 58.200 0.011 0.000 1.055 365 S CB -0.062 63.130 63.200 -0.013 0.000 0.939 365 S HN 0.448 nan 8.310 nan 0.000 0.494 366 V N 3.478 123.454 119.914 0.103 0.000 3.621 366 V HA 0.564 4.684 4.120 0.000 0.000 0.285 366 V C -0.111 176.137 176.094 0.256 0.000 1.346 366 V CA -0.214 62.189 62.300 0.172 0.000 1.104 366 V CB -1.118 30.852 31.823 0.246 0.000 0.913 366 V HN 0.729 nan 8.190 nan 0.000 0.432 367 F N 0.759 120.735 119.950 0.044 0.000 2.669 367 F HA 0.645 5.173 4.527 0.001 0.000 0.315 367 F C -2.147 173.653 175.800 0.001 0.000 1.109 367 F CA -0.604 57.411 58.000 0.025 0.000 1.028 367 F CB 1.942 40.962 39.000 0.034 0.000 1.287 367 F HN 0.025 nan 8.300 nan 0.000 0.452 368 D N 4.031 123.942 120.400 -0.816 0.000 2.351 368 D HA 0.580 5.220 4.640 0.000 0.000 0.235 368 D C -0.529 175.337 176.300 -0.723 0.000 1.331 368 D CA 0.564 54.244 54.000 -0.533 0.000 0.959 368 D CB 0.967 41.616 40.800 -0.253 0.000 1.432 368 D HN 1.020 nan 8.370 nan 0.000 0.544 369 G N 1.596 109.938 108.800 -0.762 0.000 2.435 369 G HA2 0.346 4.307 3.960 0.000 0.000 0.296 369 G HA3 0.346 4.307 3.960 0.000 0.000 0.296 369 G C -1.304 173.530 174.900 -0.110 0.000 1.240 369 G CA -0.661 44.168 45.100 -0.453 0.000 0.872 369 G HN 0.113 nan 8.290 nan 0.000 0.480 370 E N -0.614 119.589 120.200 0.004 0.000 2.222 370 E HA 0.639 4.989 4.350 0.000 0.000 0.272 370 E C -0.820 175.879 176.600 0.166 0.000 0.982 370 E CA -0.554 55.880 56.400 0.057 0.000 0.842 370 E CB 2.313 32.022 29.700 0.015 0.000 1.144 370 E HN 0.297 nan 8.360 nan 0.000 0.397 371 V N 2.823 122.768 119.914 0.052 0.000 2.577 371 V HA 0.433 4.553 4.120 0.000 0.000 0.303 371 V C -0.093 176.079 176.094 0.130 0.000 1.042 371 V CA -0.748 61.602 62.300 0.083 0.000 0.872 371 V CB 1.701 33.535 31.823 0.019 0.000 0.998 371 V HN 0.486 nan 8.190 nan 0.000 0.423 372 R N 1.967 122.564 120.500 0.161 0.000 2.832 372 R HA 0.488 4.828 4.340 0.000 0.000 0.271 372 R C -0.230 176.162 176.300 0.154 0.000 0.996 372 R CA -0.968 55.239 56.100 0.178 0.000 0.977 372 R CB 1.627 32.000 30.300 0.123 0.000 1.168 372 R HN 0.719 nan 8.270 nan 0.000 0.482 373 E N 0.919 121.203 120.200 0.139 0.000 2.708 373 E HA -0.170 4.180 4.350 0.000 0.000 0.260 373 E C 0.590 177.210 176.600 0.033 0.000 0.937 373 E CA 1.881 58.313 56.400 0.054 0.000 0.953 373 E CB 0.411 30.167 29.700 0.093 0.000 0.915 373 E HN 0.808 nan 8.360 nan 0.000 0.487 374 G N 3.782 112.511 108.800 -0.118 0.000 2.195 374 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 374 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 374 G C 0.230 175.241 174.900 0.185 0.000 0.984 374 G CA 0.491 45.637 45.100 0.077 0.000 0.633 374 G HN 0.557 nan 8.290 nan 0.000 0.525 375 Q N -0.481 119.340 119.800 0.036 0.000 2.215 375 Q HA 0.689 5.030 4.340 0.000 0.000 0.256 375 Q C -0.549 175.538 176.000 0.145 0.000 0.972 375 Q CA -0.789 55.145 55.803 0.219 0.000 0.889 375 Q CB 2.744 31.584 28.738 0.170 0.000 1.281 375 Q HN 0.189 nan 8.270 nan 0.000 0.456 376 V N 2.222 122.303 119.914 0.280 0.000 2.487 376 V HA 0.389 4.509 4.120 0.000 0.000 0.298 376 V C -1.152 175.004 176.094 0.103 0.000 1.028 376 V CA -0.753 61.646 62.300 0.166 0.000 0.860 376 V CB 1.643 33.512 31.823 0.076 0.000 0.991 376 V HN 0.507 nan 8.190 nan 0.000 0.427 377 L N 5.730 126.970 121.223 0.028 0.000 2.349 377 L HA 0.636 4.976 4.340 0.000 0.000 0.278 377 L C -0.485 176.383 176.870 -0.004 0.000 0.996 377 L CA -0.268 54.512 54.840 -0.100 0.000 0.825 377 L CB 1.548 43.427 42.059 -0.301 0.000 1.243 377 L HN 0.651 nan 8.230 nan 0.000 0.412 378 M N 6.326 125.965 119.600 0.065 0.000 2.077 378 M HA 0.360 4.840 4.480 0.000 0.000 0.348 378 M C -1.069 175.238 176.300 0.011 0.000 1.252 378 M CA -0.358 55.014 55.300 0.121 0.000 1.096 378 M CB 0.587 33.360 32.600 0.289 0.000 1.568 378 M HN 0.413 nan 8.290 nan 0.000 0.456 379 I N 8.389 128.965 120.570 0.009 0.000 2.307 379 I HA 0.337 4.507 4.170 0.000 0.000 0.289 379 I C -2.199 173.922 176.117 0.006 0.000 1.021 379 I CA -2.184 59.116 61.300 0.000 0.000 1.224 379 I CB 0.938 38.947 38.000 0.015 0.000 1.376 379 I HN 0.280 nan 8.210 nan 0.000 0.470 380 P HA 0.028 nan 4.420 nan 0.000 0.269 380 P C -0.102 177.148 177.300 -0.083 0.000 1.215 380 P CA -0.296 62.694 63.100 -0.183 0.000 0.780 380 P CB 0.522 31.667 31.700 -0.925 0.000 0.898 381 Q N 2.902 122.700 119.800 -0.003 0.000 2.283 381 Q HA -0.141 4.199 4.340 0.000 0.000 0.301 381 Q C 0.244 176.314 176.000 0.115 0.000 1.063 381 Q CA 0.656 56.427 55.803 -0.054 0.000 0.952 381 Q CB -0.229 28.347 28.738 -0.270 0.000 1.166 381 Q HN 0.420 nan 8.270 nan 0.000 0.381 382 N N 1.763 120.603 118.700 0.233 0.000 2.955 382 N HA -0.242 4.498 4.740 0.000 0.000 0.230 382 N C -0.886 174.786 175.510 0.272 0.000 0.891 382 N CA 1.263 54.472 53.050 0.266 0.000 1.002 382 N CB -1.530 37.039 38.487 0.136 0.000 1.063 382 N HN 0.537 nan 8.380 nan 0.000 0.601 383 F N 1.591 121.554 119.950 0.021 0.000 2.495 383 F HA 0.223 4.751 4.527 0.001 0.000 0.365 383 F C 1.324 177.122 175.800 -0.004 0.000 1.090 383 F CA -0.843 57.150 58.000 -0.012 0.000 1.235 383 F CB 0.731 39.743 39.000 0.020 0.000 1.119 383 F HN -0.318 nan 8.300 nan 0.000 0.562 384 V N 5.093 125.038 119.914 0.051 0.000 2.686 384 V HA 0.262 4.382 4.120 0.000 0.000 0.295 384 V C -0.058 176.021 176.094 -0.026 0.000 1.055 384 V CA -0.340 61.968 62.300 0.014 0.000 1.050 384 V CB 1.354 33.156 31.823 -0.034 0.000 0.984 384 V HN 0.537 nan 8.190 nan 0.000 0.482 385 V N 6.242 126.068 119.914 -0.147 0.000 3.049 385 V HA 0.684 4.804 4.120 0.000 0.000 0.309 385 V C -1.105 174.897 176.094 -0.153 0.000 1.148 385 V CA -0.503 61.701 62.300 -0.160 0.000 0.990 385 V CB 2.281 33.983 31.823 -0.202 0.000 1.039 385 V HN 0.757 nan 8.190 nan 0.000 0.430 386 I N 4.666 125.202 120.570 -0.057 0.000 2.619 386 I HA 0.554 4.724 4.170 0.000 0.000 0.292 386 I C -0.802 175.298 176.117 -0.028 0.000 1.100 386 I CA -0.745 60.547 61.300 -0.013 0.000 1.043 386 I CB 2.415 40.411 38.000 -0.006 0.000 1.239 386 I HN 0.559 nan 8.210 nan 0.000 0.420 387 K N 5.246 125.630 120.400 -0.026 0.000 2.371 387 K HA 0.678 4.998 4.320 0.000 0.000 0.251 387 K C -0.876 175.681 176.600 -0.071 0.000 0.934 387 K CA -0.924 55.303 56.287 -0.099 0.000 0.798 387 K CB 3.040 35.442 32.500 -0.163 0.000 1.204 387 K HN 0.445 nan 8.250 nan 0.000 0.427 388 R N 1.665 122.096 120.500 -0.115 0.000 2.500 388 R HA 0.397 4.738 4.340 0.000 0.000 0.299 388 R C -1.120 175.126 176.300 -0.089 0.000 1.038 388 R CA -0.373 55.689 56.100 -0.063 0.000 0.903 388 R CB 1.453 31.726 30.300 -0.045 0.000 1.177 388 R HN 0.844 nan 8.270 nan 0.000 0.455 389 A N 2.734 125.553 122.820 -0.002 0.000 2.483 389 A HA 0.291 4.611 4.320 0.000 0.000 0.238 389 A C 0.509 178.118 177.584 0.040 0.000 1.070 389 A CA 0.058 52.131 52.037 0.059 0.000 0.770 389 A CB 0.388 19.507 19.000 0.199 0.000 1.008 389 A HN 0.925 nan 8.150 nan 0.000 0.497 390 S N 0.814 116.546 115.700 0.052 0.000 2.477 390 S HA 0.190 4.660 4.470 0.000 0.000 0.261 390 S C 0.455 175.098 174.600 0.072 0.000 1.197 390 S CA 0.347 58.574 58.200 0.045 0.000 1.015 390 S CB 0.008 63.235 63.200 0.044 0.000 1.077 390 S HN 0.613 nan 8.310 nan 0.000 0.505 391 D N 0.752 121.189 120.400 0.062 0.000 2.149 391 D HA 0.009 4.649 4.640 0.000 0.000 0.201 391 D C 1.861 178.208 176.300 0.078 0.000 0.972 391 D CA 0.995 55.031 54.000 0.061 0.000 0.835 391 D CB -0.303 40.524 40.800 0.045 0.000 0.966 391 D HN 0.522 nan 8.370 nan 0.000 0.476 392 R N 0.745 121.299 120.500 0.091 0.000 2.328 392 R HA 0.324 4.664 4.340 0.000 0.000 0.200 392 R C 1.132 177.515 176.300 0.139 0.000 0.983 392 R CA 0.372 56.533 56.100 0.102 0.000 1.062 392 R CB -0.139 30.223 30.300 0.102 0.000 0.956 392 R HN 0.061 nan 8.270 nan 0.000 0.479 393 G N 1.611 110.508 108.800 0.162 0.000 2.860 393 G HA2 -0.298 3.663 3.960 0.000 0.000 0.553 393 G HA3 -0.298 3.663 3.960 0.000 0.000 0.553 393 G C -0.833 174.256 174.900 0.315 0.000 1.439 393 G CA -0.471 44.761 45.100 0.220 0.000 0.879 393 G HN 0.303 nan 8.290 nan 0.000 0.545 394 F N 0.546 120.587 119.950 0.151 0.000 2.581 394 F HA 0.703 5.230 4.527 0.001 0.000 0.311 394 F C -0.363 175.605 175.800 0.281 0.000 1.113 394 F CA -0.457 57.656 58.000 0.189 0.000 0.935 394 F CB 1.883 40.982 39.000 0.165 0.000 1.232 394 F HN 0.838 nan 8.300 nan 0.000 0.445 395 E N 6.094 126.093 120.200 -0.335 0.000 2.292 395 E HA 0.498 4.848 4.350 0.000 0.000 0.272 395 E C -2.016 174.364 176.600 -0.367 0.000 0.881 395 E CA -0.617 55.616 56.400 -0.279 0.000 0.754 395 E CB 2.226 31.838 29.700 -0.147 0.000 1.201 395 E HN 0.686 nan 8.360 nan 0.000 0.425 396 W N 3.566 124.561 121.300 -0.508 0.000 2.959 396 W HA 0.616 5.276 4.660 0.000 0.000 0.358 396 W C -2.254 174.005 176.519 -0.434 0.000 1.228 396 W CA -1.018 56.056 57.345 -0.452 0.000 1.183 396 W CB 0.483 29.654 29.460 -0.481 0.000 1.467 396 W HN 0.365 nan 8.180 nan 0.000 0.578 397 I N 2.752 123.132 120.570 -0.316 0.000 2.447 397 I HA 0.763 4.934 4.170 0.000 0.000 0.287 397 I C -1.005 174.868 176.117 -0.406 0.000 1.023 397 I CA -1.397 59.489 61.300 -0.690 0.000 1.083 397 I CB 1.337 38.612 38.000 -1.208 0.000 1.245 397 I HN 0.819 nan 8.210 nan 0.000 0.434 398 A N 7.602 130.210 122.820 -0.353 0.000 2.267 398 A HA 0.687 5.007 4.320 0.000 0.000 0.315 398 A C -1.097 176.185 177.584 -0.502 0.000 1.297 398 A CA -0.369 51.531 52.037 -0.229 0.000 0.865 398 A CB -0.131 18.931 19.000 0.104 0.000 1.165 398 A HN 0.535 nan 8.150 nan 0.000 0.513 399 F N 2.466 122.179 119.950 -0.395 0.000 2.412 399 F HA 0.393 4.920 4.527 0.001 0.000 0.348 399 F C 0.837 176.303 175.800 -0.557 0.000 1.102 399 F CA 0.014 57.592 58.000 -0.704 0.000 1.196 399 F CB 1.179 39.167 39.000 -1.686 0.000 1.144 399 F HN 0.313 nan 8.300 nan 0.000 0.541 400 K N 0.843 121.131 120.400 -0.187 0.000 2.207 400 K HA 0.297 4.617 4.320 0.000 0.000 0.255 400 K C 0.280 176.916 176.600 0.061 0.000 0.941 400 K CA -0.512 55.748 56.287 -0.045 0.000 0.825 400 K CB 1.500 33.990 32.500 -0.017 0.000 1.119 400 K HN 0.658 nan 8.250 nan 0.000 0.430 401 T N -1.161 113.473 114.554 0.133 0.000 3.332 401 T HA 0.212 4.562 4.350 0.000 0.000 0.246 401 T C 0.024 174.782 174.700 0.097 0.000 0.943 401 T CA -0.412 61.803 62.100 0.192 0.000 0.922 401 T CB -0.739 68.283 68.868 0.256 0.000 1.086 401 T HN 0.540 nan 8.240 nan 0.000 0.590 402 N N 0.455 119.196 118.700 0.068 0.000 2.484 402 N HA 0.304 5.044 4.740 0.000 0.000 0.269 402 N C -0.128 175.408 175.510 0.043 0.000 1.237 402 N CA -0.595 52.476 53.050 0.035 0.000 0.838 402 N CB 1.733 40.229 38.487 0.015 0.000 1.593 402 N HN 0.117 nan 8.380 nan 0.000 0.485 403 D N 0.055 120.470 120.400 0.026 0.000 2.363 403 D HA 0.001 4.641 4.640 0.000 0.000 0.220 403 D C -0.256 176.138 176.300 0.158 0.000 0.994 403 D CA 0.830 54.868 54.000 0.063 0.000 0.890 403 D CB -0.147 40.642 40.800 -0.018 0.000 0.906 403 D HN 0.412 nan 8.370 nan 0.000 0.530 404 N N -0.110 118.659 118.700 0.115 0.000 2.751 404 N HA 0.321 5.062 4.740 0.000 0.000 0.234 404 N C -1.485 174.068 175.510 0.073 0.000 1.403 404 N CA -0.324 52.808 53.050 0.136 0.000 0.747 404 N CB 0.900 39.544 38.487 0.261 0.000 1.326 404 N HN 0.175 nan 8.380 nan 0.000 0.532 405 A N 2.628 125.473 122.820 0.042 0.000 2.492 405 A HA 0.399 4.720 4.320 0.000 0.000 0.254 405 A C 0.057 177.651 177.584 0.015 0.000 1.091 405 A CA 0.145 52.195 52.037 0.022 0.000 0.768 405 A CB -0.221 18.786 19.000 0.011 0.000 1.028 405 A HN 0.634 nan 8.150 nan 0.000 0.498 406 I N 2.574 123.148 120.570 0.006 0.000 2.362 406 I HA 0.325 4.495 4.170 0.000 0.000 0.289 406 I C 0.590 176.673 176.117 -0.055 0.000 0.994 406 I CA -0.255 61.036 61.300 -0.015 0.000 1.158 406 I CB 2.086 40.081 38.000 -0.008 0.000 1.315 406 I HN 0.675 nan 8.210 nan 0.000 0.451 407 T N 4.166 118.675 114.554 -0.074 0.000 2.771 407 T HA 0.382 4.732 4.350 0.000 0.000 0.281 407 T C -0.406 174.188 174.700 -0.177 0.000 0.982 407 T CA -0.655 61.379 62.100 -0.110 0.000 0.978 407 T CB 0.592 69.414 68.868 -0.077 0.000 0.930 407 T HN 0.599 nan 8.240 nan 0.000 0.447 408 N N 3.687 122.172 118.700 -0.358 0.000 2.419 408 N HA 0.431 5.171 4.740 0.000 0.000 0.277 408 N C -0.984 174.428 175.510 -0.162 0.000 1.006 408 N CA -0.782 52.070 53.050 -0.330 0.000 0.923 408 N CB 1.015 39.157 38.487 -0.575 0.000 1.140 408 N HN 0.402 nan 8.380 nan 0.000 0.488 409 L N 2.853 124.053 121.223 -0.037 0.000 2.357 409 L HA 0.182 4.523 4.340 0.000 0.000 0.273 409 L C 1.209 178.126 176.870 0.078 0.000 1.080 409 L CA -0.264 54.606 54.840 0.049 0.000 0.803 409 L CB 1.012 43.087 42.059 0.026 0.000 1.174 409 L HN 0.501 nan 8.230 nan 0.000 0.443 410 L N 1.628 122.918 121.223 0.111 0.000 2.249 410 L HA 0.342 4.682 4.340 0.000 0.000 0.207 410 L C 0.724 177.631 176.870 0.062 0.000 1.090 410 L CA 0.772 55.676 54.840 0.106 0.000 0.802 410 L CB -0.915 41.210 42.059 0.110 0.000 0.947 410 L HN 0.730 nan 8.230 nan 0.000 0.453 411 A N -1.833 121.017 122.820 0.049 0.000 2.515 411 A HA 0.743 5.064 4.320 0.000 0.000 0.296 411 A C -0.039 177.562 177.584 0.029 0.000 1.094 411 A CA 0.158 52.211 52.037 0.026 0.000 0.718 411 A CB 1.844 20.852 19.000 0.013 0.000 1.307 411 A HN 0.355 nan 8.150 nan 0.000 0.408 412 G N -0.027 108.788 108.800 0.025 0.000 2.331 412 G HA2 0.072 4.033 3.960 0.000 0.000 0.402 412 G HA3 0.072 4.033 3.960 0.000 0.000 0.402 412 G C 0.310 175.236 174.900 0.043 0.000 1.275 412 G CA -0.052 45.068 45.100 0.033 0.000 1.003 412 G HN 0.759 nan 8.290 nan 0.000 0.500 413 R N -0.976 119.551 120.500 0.046 0.000 2.073 413 R HA 0.003 4.343 4.340 0.000 0.000 0.234 413 R C 1.410 177.740 176.300 0.050 0.000 1.134 413 R CA 2.136 58.270 56.100 0.056 0.000 0.952 413 R CB -0.472 29.854 30.300 0.044 0.000 0.850 413 R HN 1.023 nan 8.270 nan 0.000 0.433 414 V N -0.254 119.679 119.914 0.032 0.000 2.284 414 V HA 0.480 4.601 4.120 0.000 0.000 0.274 414 V C -0.413 175.693 176.094 0.020 0.000 1.023 414 V CA -0.713 61.602 62.300 0.025 0.000 0.808 414 V CB 1.057 32.888 31.823 0.013 0.000 1.035 414 V HN 0.239 nan 8.190 nan 0.000 0.445 415 S N 2.514 118.230 115.700 0.025 0.000 2.671 415 S HA 0.550 5.020 4.470 0.000 0.000 0.277 415 S C 0.385 175.004 174.600 0.032 0.000 1.165 415 S CA -0.628 57.588 58.200 0.027 0.000 0.822 415 S CB 2.082 65.300 63.200 0.030 0.000 1.150 415 S HN 0.403 nan 8.310 nan 0.000 0.479 416 Q N -0.210 119.619 119.800 0.048 0.000 2.084 416 Q HA 0.063 4.403 4.340 0.000 0.000 0.202 416 Q C 1.958 177.983 176.000 0.042 0.000 0.978 416 Q CA 2.024 57.862 55.803 0.058 0.000 0.844 416 Q CB -0.517 28.281 28.738 0.100 0.000 0.898 416 Q HN 0.770 nan 8.270 nan 0.000 0.426 417 M N -0.257 119.365 119.600 0.036 0.000 2.117 417 M HA -0.134 4.347 4.480 0.000 0.000 0.262 417 M C 1.553 177.829 176.300 -0.040 0.000 1.065 417 M CA 1.599 56.906 55.300 0.012 0.000 1.114 417 M CB 0.014 32.613 32.600 -0.002 0.000 1.361 417 M HN 0.002 nan 8.290 nan 0.000 0.408 418 R N -0.640 119.838 120.500 -0.036 0.000 2.096 418 R HA -0.081 4.259 4.340 0.000 0.000 0.235 418 R C 2.024 178.322 176.300 -0.002 0.000 1.127 418 R CA 1.408 57.483 56.100 -0.042 0.000 0.968 418 R CB -0.658 29.655 30.300 0.022 0.000 0.861 418 R HN 0.453 nan 8.270 nan 0.000 0.440 419 M N 0.735 120.343 119.600 0.013 0.000 2.296 419 M HA -0.023 4.458 4.480 0.000 0.000 0.265 419 M C 0.861 177.170 176.300 0.016 0.000 1.064 419 M CA 0.801 56.115 55.300 0.023 0.000 1.109 419 M CB -0.473 32.142 32.600 0.026 0.000 1.396 419 M HN -0.004 nan 8.290 nan 0.000 0.430 420 L N 1.115 122.340 121.223 0.004 0.000 2.331 420 L HA 0.196 4.536 4.340 0.000 0.000 0.278 420 L C -2.016 174.851 176.870 -0.004 0.000 1.106 420 L CA -1.863 52.977 54.840 -0.000 0.000 0.824 420 L CB 0.078 42.136 42.059 -0.002 0.000 1.142 420 L HN -0.105 nan 8.230 nan 0.000 0.443 421 P HA 0.008 nan 4.420 nan 0.000 0.268 421 P C 0.796 178.101 177.300 0.008 0.000 1.208 421 P CA -0.140 62.969 63.100 0.015 0.000 0.777 421 P CB 0.640 32.349 31.700 0.014 0.000 0.875 422 L N 1.409 122.646 121.223 0.024 0.000 2.083 422 L HA -0.134 4.206 4.340 0.000 0.000 0.209 422 L C 2.512 179.393 176.870 0.018 0.000 1.083 422 L CA 1.968 56.822 54.840 0.023 0.000 0.752 422 L CB -1.158 40.932 42.059 0.051 0.000 0.899 422 L HN 0.601 nan 8.230 nan 0.000 0.433 423 G N -0.528 108.282 108.800 0.016 0.000 2.450 423 G HA2 -0.187 3.773 3.960 0.000 0.000 0.220 423 G HA3 -0.187 3.773 3.960 0.000 0.000 0.220 423 G C 1.549 176.444 174.900 -0.008 0.000 1.130 423 G CA 0.938 46.042 45.100 0.007 0.000 0.760 423 G HN 0.228 nan 8.290 nan 0.000 0.557 424 V N 0.702 120.607 119.914 -0.015 0.000 2.379 424 V HA -0.043 4.077 4.120 0.000 0.000 0.245 424 V C 2.866 178.922 176.094 -0.065 0.000 1.044 424 V CA 1.189 63.465 62.300 -0.040 0.000 1.036 424 V CB -0.420 31.381 31.823 -0.036 0.000 0.664 424 V HN 0.322 nan 8.190 nan 0.000 0.453 425 L N -0.134 121.070 121.223 -0.031 0.000 2.046 425 L HA -0.166 4.174 4.340 0.000 0.000 0.208 425 L C 2.679 179.560 176.870 0.017 0.000 1.077 425 L CA 1.627 56.468 54.840 0.001 0.000 0.747 425 L CB -0.684 41.421 42.059 0.076 0.000 0.896 425 L HN 0.279 nan 8.230 nan 0.000 0.432 426 S N 0.006 115.718 115.700 0.021 0.000 2.354 426 S HA -0.189 4.281 4.470 0.000 0.000 0.219 426 S C 1.760 176.360 174.600 -0.000 0.000 1.035 426 S CA 1.584 59.801 58.200 0.029 0.000 1.037 426 S CB -0.428 62.785 63.200 0.021 0.000 0.956 426 S HN 0.455 nan 8.310 nan 0.000 0.428 427 N N 0.821 119.503 118.700 -0.030 0.000 2.223 427 N HA -0.031 4.709 4.740 0.000 0.000 0.185 427 N C 1.731 177.184 175.510 -0.096 0.000 1.016 427 N CA 1.011 54.033 53.050 -0.047 0.000 0.863 427 N CB -0.291 38.169 38.487 -0.045 0.000 0.983 427 N HN 0.403 nan 8.380 nan 0.000 0.429 428 M N -0.450 119.042 119.600 -0.181 0.000 2.059 428 M HA -0.165 4.315 4.480 0.000 0.000 0.259 428 M C 1.051 177.108 176.300 -0.406 0.000 1.072 428 M CA 1.694 56.767 55.300 -0.378 0.000 1.117 428 M CB -0.276 31.931 32.600 -0.655 0.000 1.320 428 M HN 0.118 nan 8.290 nan 0.000 0.408 429 Y N -0.624 119.668 120.300 -0.013 0.000 2.493 429 Y HA 0.254 4.805 4.550 0.000 0.000 0.275 429 Y C 0.102 175.996 175.900 -0.010 0.000 1.183 429 Y CA -0.473 57.620 58.100 -0.013 0.000 1.258 429 Y CB 0.048 38.499 38.460 -0.015 0.000 1.108 429 Y HN 0.152 nan 8.280 nan 0.000 0.521 430 R N 1.063 121.611 120.500 0.079 0.000 3.416 430 R HA -0.203 4.137 4.340 0.000 0.000 0.263 430 R C -0.478 175.861 176.300 0.065 0.000 1.053 430 R CA 0.966 57.098 56.100 0.054 0.000 0.705 430 R CB -2.611 27.715 30.300 0.045 0.000 1.124 430 R HN 0.559 nan 8.270 nan 0.000 0.444 431 I N -3.941 116.676 120.570 0.078 0.000 3.206 431 I HA 0.642 4.812 4.170 0.000 0.000 0.313 431 I C 0.518 176.664 176.117 0.048 0.000 1.103 431 I CA -1.153 60.185 61.300 0.064 0.000 0.985 431 I CB 2.193 40.239 38.000 0.078 0.000 1.240 431 I HN 0.029 nan 8.210 nan 0.000 0.464 432 S N 1.471 117.194 115.700 0.039 0.000 2.646 432 S HA 0.438 4.909 4.470 0.000 0.000 0.276 432 S C 0.968 175.590 174.600 0.038 0.000 1.222 432 S CA -0.777 57.443 58.200 0.033 0.000 1.014 432 S CB 1.681 64.897 63.200 0.027 0.000 0.991 432 S HN 0.696 nan 8.310 nan 0.000 0.533 433 R N 1.385 121.907 120.500 0.036 0.000 2.140 433 R HA -0.181 4.160 4.340 0.000 0.000 0.250 433 R C 2.081 178.411 176.300 0.050 0.000 1.150 433 R CA 2.078 58.204 56.100 0.043 0.000 0.966 433 R CB -1.287 29.038 30.300 0.041 0.000 0.869 433 R HN 0.943 nan 8.270 nan 0.000 0.445 434 E N 0.995 121.222 120.200 0.044 0.000 2.038 434 E HA -0.211 4.139 4.350 0.000 0.000 0.195 434 E C 1.711 178.339 176.600 0.046 0.000 1.000 434 E CA 1.524 57.952 56.400 0.047 0.000 0.803 434 E CB 0.090 29.811 29.700 0.035 0.000 0.750 434 E HN 0.507 nan 8.360 nan 0.000 0.448 435 E N 0.163 120.383 120.200 0.035 0.000 2.110 435 E HA -0.165 4.186 4.350 0.000 0.000 0.193 435 E C 2.060 178.674 176.600 0.023 0.000 0.988 435 E CA 0.829 57.244 56.400 0.025 0.000 0.804 435 E CB -0.164 29.549 29.700 0.021 0.000 0.745 435 E HN 0.297 nan 8.360 nan 0.000 0.458 436 A N 1.399 124.240 122.820 0.035 0.000 1.972 436 A HA -0.273 4.047 4.320 0.000 0.000 0.219 436 A C 2.138 179.718 177.584 -0.005 0.000 1.169 436 A CA 1.558 53.613 52.037 0.030 0.000 0.635 436 A CB -0.443 18.584 19.000 0.044 0.000 0.810 436 A HN 0.214 nan 8.150 nan 0.000 0.446 437 Q N -0.714 119.113 119.800 0.044 0.000 2.046 437 Q HA -0.184 4.157 4.340 0.000 0.000 0.200 437 Q C 2.331 178.396 176.000 0.109 0.000 0.975 437 Q CA 1.614 57.489 55.803 0.120 0.000 0.836 437 Q CB -0.115 28.736 28.738 0.189 0.000 0.896 437 Q HN 0.682 nan 8.270 nan 0.000 0.428 438 R N 0.086 120.629 120.500 0.071 0.000 2.120 438 R HA -0.089 4.251 4.340 0.000 0.000 0.234 438 R C 2.183 178.488 176.300 0.008 0.000 1.123 438 R CA 0.845 56.977 56.100 0.054 0.000 0.975 438 R CB -0.232 30.088 30.300 0.033 0.000 0.866 438 R HN 0.332 nan 8.270 nan 0.000 0.446 439 L N 1.080 122.284 121.223 -0.032 0.000 2.005 439 L HA -0.165 4.176 4.340 0.000 0.000 0.207 439 L C 2.229 179.037 176.870 -0.104 0.000 1.072 439 L CA 2.042 56.839 54.840 -0.072 0.000 0.744 439 L CB -0.294 41.715 42.059 -0.083 0.000 0.895 439 L HN 0.342 nan 8.230 nan 0.000 0.433 440 K N -1.992 118.288 120.400 -0.200 0.000 2.365 440 K HA -0.138 4.183 4.320 0.000 0.000 0.197 440 K C 0.920 177.278 176.600 -0.402 0.000 1.042 440 K CA 1.034 57.112 56.287 -0.349 0.000 0.987 440 K CB -0.063 32.114 32.500 -0.538 0.000 0.779 440 K HN 0.259 nan 8.250 nan 0.000 0.484 441 Y N 0.440 120.750 120.300 0.017 0.000 2.557 441 Y HA 0.362 4.912 4.550 0.000 0.000 0.247 441 Y C 2.104 178.010 175.900 0.010 0.000 1.164 441 Y CA -0.492 57.616 58.100 0.014 0.000 1.218 441 Y CB 0.541 39.010 38.460 0.014 0.000 1.210 441 Y HN 0.156 nan 8.280 nan 0.000 0.529 442 G N -0.093 108.768 108.800 0.102 0.000 2.404 442 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 442 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 442 G C 0.691 175.624 174.900 0.056 0.000 1.174 442 G CA 0.352 45.492 45.100 0.066 0.000 0.780 442 G HN 0.241 nan 8.290 nan 0.000 0.537 443 Q N 0.219 120.046 119.800 0.044 0.000 2.294 443 Q HA 0.408 4.748 4.340 0.000 0.000 0.257 443 Q C 0.985 177.018 176.000 0.055 0.000 0.955 443 Q CA 0.077 55.904 55.803 0.039 0.000 0.936 443 Q CB 1.342 30.095 28.738 0.026 0.000 1.188 443 Q HN 0.437 nan 8.270 nan 0.000 0.420 444 Q N 2.121 121.951 119.800 0.049 0.000 2.378 444 Q HA 0.141 4.481 4.340 0.000 0.000 0.216 444 Q C -0.198 175.826 176.000 0.040 0.000 0.892 444 Q CA 0.164 55.998 55.803 0.051 0.000 0.931 444 Q CB 0.732 29.497 28.738 0.045 0.000 1.086 444 Q HN 0.664 nan 8.270 nan 0.000 0.528 445 E N 0.201 120.420 120.200 0.033 0.000 2.816 445 E HA 0.105 4.455 4.350 0.000 0.000 0.260 445 E C 0.055 176.668 176.600 0.023 0.000 1.414 445 E CA -0.048 56.367 56.400 0.025 0.000 1.074 445 E CB 0.564 30.276 29.700 0.019 0.000 1.123 445 E HN -0.024 nan 8.360 nan 0.000 0.664 446 M N -0.284 119.324 119.600 0.014 0.000 2.318 446 M HA 0.169 4.650 4.480 0.000 0.000 0.214 446 M C 1.469 177.768 176.300 -0.002 0.000 0.726 446 M CA 0.244 55.548 55.300 0.008 0.000 1.873 446 M CB 0.046 32.648 32.600 0.004 0.000 1.118 446 M HN 0.194 nan 8.290 nan 0.000 0.908 447 R N -0.143 120.345 120.500 -0.020 0.000 2.081 447 R HA 0.060 4.400 4.340 0.000 0.000 0.235 447 R C -0.175 176.111 176.300 -0.022 0.000 1.131 447 R CA 0.924 57.000 56.100 -0.040 0.000 0.960 447 R CB -0.583 29.670 30.300 -0.078 0.000 0.856 447 R HN 0.356 nan 8.270 nan 0.000 0.436 448 V N 2.558 122.456 119.914 -0.027 0.000 2.439 448 V HA 0.178 4.298 4.120 0.000 0.000 0.282 448 V C -0.312 175.770 176.094 -0.020 0.000 1.039 448 V CA -0.552 61.732 62.300 -0.027 0.000 0.913 448 V CB 1.601 33.376 31.823 -0.081 0.000 0.983 448 V HN 0.009 nan 8.190 nan 0.000 0.460 449 L N 4.695 125.916 121.223 -0.002 0.000 2.296 449 L HA 0.471 4.811 4.340 0.000 0.000 0.286 449 L C 0.608 177.483 176.870 0.008 0.000 1.023 449 L CA 0.229 55.074 54.840 0.007 0.000 0.812 449 L CB 1.835 43.906 42.059 0.019 0.000 1.223 449 L HN 0.815 nan 8.230 nan 0.000 0.421 450 S N 3.127 118.834 115.700 0.013 0.000 2.572 450 S HA 0.415 4.885 4.470 0.000 0.000 0.279 450 S C -2.435 172.189 174.600 0.040 0.000 1.341 450 S CA -1.192 57.026 58.200 0.031 0.000 1.043 450 S CB -0.062 63.160 63.200 0.037 0.000 0.887 450 S HN 0.420 nan 8.310 nan 0.000 0.516 451 P HA 0.178 nan 4.420 nan 0.000 0.253 451 P C 0.273 177.593 177.300 0.034 0.000 1.159 451 P CA 0.777 63.905 63.100 0.047 0.000 0.779 451 P CB -0.240 31.494 31.700 0.057 0.000 0.745 452 G N 3.318 112.134 108.800 0.027 0.000 4.574 452 G HA2 0.115 4.076 3.960 0.000 0.000 0.236 452 G HA3 0.115 4.076 3.960 0.000 0.000 0.236 452 G C 0.054 174.963 174.900 0.015 0.000 1.733 452 G CA -0.665 44.447 45.100 0.021 0.000 0.605 452 G HN 0.510 nan 8.290 nan 0.000 0.352 453 R N 0.000 120.508 120.500 0.013 0.000 2.786 453 R HA 0.000 4.340 4.340 0.000 0.000 0.208 453 R CA 0.000 56.104 56.100 0.007 0.000 0.921 453 R CB 0.000 30.303 30.300 0.006 0.000 0.687 453 R HN 0.000 nan 8.270 nan 0.000 0.535