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 1yt8_1_A DATA FIRST_RESID 6 DATA SEQUENCE IAVRTFHDIR AALLARRELA LLDVREEDPF AQAHPLFAAN LPLSRLELEI DATA SEQUENCE HARVPRRDTP ITVYDDGEGL APVAAQRLHD LGYSDVALLD GGLSGWRNAG DATA SEQUENCE GELFRDVNVP SKAFGELVEA ERHTPSLAAE EVQALLDARA EAVILDARRF DATA SEQUENCE DEYQTXSIPG GISVPGAELV LRVAELAPDP RTRVIVNCAG RTRSIIGTQS DATA SEQUENCE LLNAGIPNPV AALRNGTIGW TLAGQQLEHG QTRRFGAISQ DTRKAAAQRA DATA SEQUENCE RAVADRAGVE RLDLAGLAQW QDEHDRTTYL LDVRTPEEYE AGHLPGSRST DATA SEQUENCE PGGQLVQETD HVASVRGARL VLVDDDGVRA NXSASWLAQX GWQVAVLDGL DATA SEQUENCE SEADFSERGA WSAPLPRQPR ADTIDPTTLA DWLGEPGTRV LDFTASANYA DATA SEQUENCE KRHIPGAAWV LRSQLKQALE RLGTAERYVL TCGSSLLARF AVAEVQALSG DATA SEQUENCE KPVFLLDGGT SAWVAAGLPT EDGESLLASP RIDRYRRPYE GTDNPREAXQ DATA SEQUENCE GYLDWEFGLV EQLGRDGTHG FFVIE 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.134 176.117 0.029 0.000 1.063 6 I CA 0.000 61.311 61.300 0.018 0.000 1.566 6 I CB 0.000 38.008 38.000 0.013 0.000 1.214 7 A N 5.886 128.733 122.820 0.045 0.000 2.301 7 A HA 0.920 5.245 4.320 0.008 0.000 0.287 7 A C -0.376 177.241 177.584 0.055 0.000 1.274 7 A CA -0.461 51.604 52.037 0.046 0.000 0.865 7 A CB 1.024 20.054 19.000 0.049 0.000 1.324 7 A HN 0.415 nan 8.150 nan 0.000 0.508 8 V N 0.260 120.208 119.914 0.057 0.000 2.588 8 V HA 0.532 4.657 4.120 0.008 0.000 0.304 8 V C -0.184 175.954 176.094 0.073 0.000 1.042 8 V CA -0.515 61.826 62.300 0.068 0.000 0.877 8 V CB 1.488 33.348 31.823 0.062 0.000 0.996 8 V HN 0.853 nan 8.190 nan 0.000 0.425 9 R N 1.645 122.199 120.500 0.090 0.000 2.686 9 R HA 0.714 5.059 4.340 0.008 0.000 0.286 9 R C -0.194 176.174 176.300 0.113 0.000 0.969 9 R CA -0.507 55.648 56.100 0.093 0.000 0.898 9 R CB 2.534 32.890 30.300 0.095 0.000 1.183 9 R HN 0.918 nan 8.270 nan 0.000 0.456 10 T N -1.297 113.320 114.554 0.105 0.000 2.923 10 T HA 0.195 4.550 4.350 0.008 0.000 0.281 10 T C 1.036 175.788 174.700 0.087 0.000 0.995 10 T CA -0.675 61.499 62.100 0.122 0.000 0.985 10 T CB 0.633 69.588 68.868 0.145 0.000 1.114 10 T HN 0.498 nan 8.240 nan 0.000 0.548 11 F N 1.109 120.977 119.950 -0.138 0.000 2.120 11 F HA -0.177 4.355 4.527 0.008 0.000 0.300 11 F C 2.435 177.982 175.800 -0.421 0.000 1.095 11 F CA 1.907 59.640 58.000 -0.445 0.000 1.249 11 F CB -0.676 37.836 39.000 -0.813 0.000 0.995 11 F HN 0.683 nan 8.300 nan 0.000 0.480 12 H N 0.043 118.936 119.070 -0.294 0.000 2.387 12 H HA -0.136 4.425 4.556 0.008 0.000 0.299 12 H C 1.883 177.056 175.328 -0.258 0.000 1.090 12 H CA 1.609 57.450 56.048 -0.345 0.000 1.332 12 H CB -0.565 29.137 29.762 -0.099 0.000 1.386 12 H HN 0.385 nan 8.280 nan 0.000 0.516 13 D N 0.650 121.027 120.400 -0.037 0.000 2.097 13 D HA -0.113 4.532 4.640 0.008 0.000 0.195 13 D C 2.315 178.582 176.300 -0.055 0.000 0.989 13 D CA 0.493 54.481 54.000 -0.020 0.000 0.827 13 D CB 0.077 40.893 40.800 0.028 0.000 0.966 13 D HN 0.228 nan 8.370 nan 0.000 0.456 14 I N 0.945 121.477 120.570 -0.063 0.000 2.202 14 I HA -0.182 3.993 4.170 0.008 0.000 0.242 14 I C 2.527 178.585 176.117 -0.098 0.000 1.091 14 I CA 0.819 62.118 61.300 -0.002 0.000 1.368 14 I CB -0.935 37.183 38.000 0.197 0.000 1.058 14 I HN 0.007 nan 8.210 nan 0.000 0.410 15 R N 1.084 121.379 120.500 -0.341 0.000 2.081 15 R HA -0.155 4.190 4.340 0.008 0.000 0.235 15 R C 2.354 178.537 176.300 -0.194 0.000 1.131 15 R CA 1.678 57.562 56.100 -0.360 0.000 0.960 15 R CB -0.101 29.753 30.300 -0.742 0.000 0.856 15 R HN 0.322 nan 8.270 nan 0.000 0.436 16 A N 0.649 123.371 122.820 -0.162 0.000 1.902 16 A HA -0.103 4.222 4.320 0.008 0.000 0.217 16 A C 2.341 179.879 177.584 -0.077 0.000 1.181 16 A CA 1.682 53.662 52.037 -0.096 0.000 0.623 16 A CB -0.747 18.213 19.000 -0.066 0.000 0.818 16 A HN 0.534 nan 8.150 nan 0.000 0.443 17 A N -0.341 122.439 122.820 -0.066 0.000 1.930 17 A HA 0.000 4.325 4.320 0.008 0.000 0.217 17 A C 2.162 179.698 177.584 -0.080 0.000 1.175 17 A CA 1.415 53.419 52.037 -0.055 0.000 0.627 17 A CB -0.576 18.407 19.000 -0.029 0.000 0.815 17 A HN 0.469 nan 8.150 nan 0.000 0.443 18 L N -0.691 120.480 121.223 -0.086 0.000 2.046 18 L HA -0.170 4.175 4.340 0.008 0.000 0.208 18 L C 2.520 179.306 176.870 -0.139 0.000 1.077 18 L CA 1.033 55.795 54.840 -0.129 0.000 0.747 18 L CB -0.507 41.506 42.059 -0.078 0.000 0.896 18 L HN 0.370 nan 8.230 nan 0.000 0.432 19 L N -0.511 120.647 121.223 -0.108 0.000 2.093 19 L HA -0.134 4.211 4.340 0.008 0.000 0.208 19 L C 2.634 179.450 176.870 -0.090 0.000 1.085 19 L CA 1.008 55.789 54.840 -0.099 0.000 0.755 19 L CB -0.564 41.445 42.059 -0.083 0.000 0.904 19 L HN 0.225 nan 8.230 nan 0.000 0.435 20 A N -0.617 122.154 122.820 -0.082 0.000 2.169 20 A HA -0.014 4.311 4.320 0.008 0.000 0.212 20 A C 1.173 178.710 177.584 -0.079 0.000 1.153 20 A CA 0.016 52.011 52.037 -0.069 0.000 0.756 20 A CB -0.164 18.802 19.000 -0.056 0.000 0.813 20 A HN 0.437 nan 8.150 nan 0.000 0.471 21 R N -1.047 119.389 120.500 -0.106 0.000 3.531 21 R HA -0.140 4.205 4.340 0.008 0.000 0.280 21 R C -0.672 175.567 176.300 -0.102 0.000 1.130 21 R CA 0.691 56.713 56.100 -0.129 0.000 0.757 21 R CB -1.790 28.438 30.300 -0.121 0.000 1.218 21 R HN 0.574 nan 8.270 nan 0.000 0.454 22 R N 1.344 121.795 120.500 -0.082 0.000 2.410 22 R HA 0.171 4.515 4.340 0.008 0.000 0.288 22 R C 0.201 176.471 176.300 -0.050 0.000 1.051 22 R CA -0.651 55.415 56.100 -0.056 0.000 1.021 22 R CB 0.730 31.007 30.300 -0.039 0.000 1.032 22 R HN 0.183 nan 8.270 nan 0.000 0.481 23 E N 2.760 122.942 120.200 -0.030 0.000 2.452 23 E HA 0.065 4.420 4.350 0.008 0.000 0.261 23 E C -0.500 176.110 176.600 0.017 0.000 0.987 23 E CA 0.341 56.740 56.400 -0.002 0.000 0.926 23 E CB 0.388 30.096 29.700 0.013 0.000 0.934 23 E HN 0.236 nan 8.360 nan 0.000 0.452 24 L N -1.168 120.077 121.223 0.036 0.000 2.653 24 L HA 0.762 5.107 4.340 0.008 0.000 0.257 24 L C -1.579 175.343 176.870 0.087 0.000 0.969 24 L CA -0.951 53.923 54.840 0.056 0.000 0.869 24 L CB 1.692 43.777 42.059 0.044 0.000 1.439 24 L HN 0.353 nan 8.230 nan 0.000 0.414 25 A N 2.293 125.167 122.820 0.090 0.000 2.340 25 A HA 0.760 5.085 4.320 0.008 0.000 0.297 25 A C -1.387 176.258 177.584 0.101 0.000 1.195 25 A CA -0.323 51.773 52.037 0.099 0.000 0.769 25 A CB 1.060 20.101 19.000 0.067 0.000 1.163 25 A HN 0.946 nan 8.150 nan 0.000 0.472 26 L N 4.315 125.619 121.223 0.136 0.000 2.272 26 L HA 0.581 4.926 4.340 0.008 0.000 0.284 26 L C -1.100 175.874 176.870 0.173 0.000 1.045 26 L CA -0.140 54.806 54.840 0.175 0.000 0.842 26 L CB 0.303 42.473 42.059 0.185 0.000 1.224 26 L HN 0.580 nan 8.230 nan 0.000 0.430 27 L N 4.388 125.683 121.223 0.120 0.000 2.287 27 L HA 0.436 4.781 4.340 0.008 0.000 0.287 27 L C -0.303 176.449 176.870 -0.197 0.000 1.022 27 L CA -0.625 54.203 54.840 -0.020 0.000 0.814 27 L CB 1.496 43.505 42.059 -0.082 0.000 1.217 27 L HN 0.486 nan 8.230 nan 0.000 0.420 28 D N 2.820 123.003 120.400 -0.361 0.000 2.347 28 D HA 0.135 4.780 4.640 0.008 0.000 0.235 28 D C 0.723 176.742 176.300 -0.468 0.000 1.149 28 D CA -0.309 53.220 54.000 -0.785 0.000 0.850 28 D CB 2.016 42.590 40.800 -0.377 0.000 1.061 28 D HN 0.360 nan 8.370 nan 0.000 0.487 29 V N 2.060 121.730 119.914 -0.405 0.000 3.633 29 V HA 0.265 4.390 4.120 0.008 0.000 0.283 29 V C 1.050 177.035 176.094 -0.182 0.000 1.305 29 V CA -0.159 61.993 62.300 -0.248 0.000 1.153 29 V CB -0.680 31.036 31.823 -0.179 0.000 0.950 29 V HN 0.252 nan 8.190 nan 0.000 0.432 30 R N 0.958 121.354 120.500 -0.173 0.000 2.738 30 R HA 0.319 4.664 4.340 0.008 0.000 0.275 30 R C 0.349 176.613 176.300 -0.061 0.000 1.121 30 R CA -0.563 55.491 56.100 -0.077 0.000 1.207 30 R CB 0.349 30.637 30.300 -0.020 0.000 1.141 30 R HN 0.354 nan 8.270 nan 0.000 0.571 31 E N 1.340 121.535 120.200 -0.008 0.000 2.410 31 E HA -0.099 4.256 4.350 0.008 0.000 0.255 31 E C 0.796 177.426 176.600 0.050 0.000 1.194 31 E CA 0.164 56.572 56.400 0.013 0.000 0.955 31 E CB 0.547 30.279 29.700 0.053 0.000 0.988 31 E HN 0.588 nan 8.360 nan 0.000 0.461 32 E N 0.738 120.972 120.200 0.057 0.000 2.077 32 E HA -0.245 4.109 4.350 0.008 0.000 0.193 32 E C 1.242 177.972 176.600 0.217 0.000 0.989 32 E CA 1.515 57.995 56.400 0.132 0.000 0.800 32 E CB 0.108 29.877 29.700 0.114 0.000 0.746 32 E HN 0.440 nan 8.360 nan 0.000 0.452 33 D N -0.173 120.332 120.400 0.175 0.000 2.097 33 D HA -0.111 4.534 4.640 0.008 0.000 0.195 33 D C -0.802 175.565 176.300 0.113 0.000 0.989 33 D CA 1.623 55.728 54.000 0.174 0.000 0.827 33 D CB -0.584 40.307 40.800 0.152 0.000 0.966 33 D HN 0.245 nan 8.370 nan 0.000 0.456 34 P HA -0.113 nan 4.420 nan 0.000 0.219 34 P C 1.625 178.990 177.300 0.107 0.000 1.150 34 P CA 0.760 63.912 63.100 0.086 0.000 0.814 34 P CB -0.295 31.453 31.700 0.080 0.000 0.787 35 F N 2.180 122.127 119.950 -0.004 0.000 2.095 35 F HA -0.109 4.423 4.527 0.007 0.000 0.298 35 F C 2.187 178.031 175.800 0.073 0.000 1.104 35 F CA 1.753 59.759 58.000 0.010 0.000 1.232 35 F CB -1.055 37.900 39.000 -0.076 0.000 0.987 35 F HN -0.091 nan 8.300 nan 0.000 0.475 36 A N -0.197 122.538 122.820 -0.143 0.000 2.178 36 A HA -0.138 4.187 4.320 0.008 0.000 0.218 36 A C 1.933 179.263 177.584 -0.423 0.000 1.157 36 A CA 1.287 53.045 52.037 -0.464 0.000 0.689 36 A CB -0.538 17.963 19.000 -0.832 0.000 0.787 36 A HN 0.564 nan 8.150 nan 0.000 0.465 37 Q N -0.891 118.776 119.800 -0.222 0.000 2.302 37 Q HA 0.371 4.716 4.340 0.008 0.000 0.202 37 Q C 0.391 176.294 176.000 -0.162 0.000 0.936 37 Q CA 1.127 56.833 55.803 -0.163 0.000 0.886 37 Q CB -0.113 28.587 28.738 -0.064 0.000 0.986 37 Q HN 0.708 nan 8.270 nan 0.000 0.487 38 A N 0.743 123.468 122.820 -0.158 0.000 2.547 38 A HA 0.560 4.885 4.320 0.008 0.000 0.300 38 A C -1.501 176.031 177.584 -0.086 0.000 1.061 38 A CA -0.822 51.120 52.037 -0.159 0.000 0.808 38 A CB 0.375 19.331 19.000 -0.072 0.000 1.304 38 A HN 0.487 nan 8.150 nan 0.000 0.393 39 H N -0.434 118.543 119.070 -0.156 0.000 3.060 39 H HA 0.742 5.303 4.556 0.008 0.000 0.330 39 H C -3.600 171.640 175.328 -0.148 0.000 1.305 39 H CA -1.755 54.212 56.048 -0.136 0.000 1.209 39 H CB 0.765 30.404 29.762 -0.205 0.000 1.913 39 H HN 0.336 nan 8.280 nan 0.000 0.534 40 P HA -0.045 nan 4.420 nan 0.000 0.269 40 P C 1.030 178.347 177.300 0.028 0.000 1.215 40 P CA -0.499 62.370 63.100 -0.386 0.000 0.780 40 P CB 0.746 31.681 31.700 -1.275 0.000 0.898 41 L N 2.747 123.977 121.223 0.011 0.000 2.021 41 L HA -0.180 4.164 4.340 0.008 0.000 0.215 41 L C 1.288 177.873 176.870 -0.474 0.000 1.074 41 L CA 2.230 56.781 54.840 -0.481 0.000 0.760 41 L CB -1.076 40.551 42.059 -0.721 0.000 0.889 41 L HN 0.316 nan 8.230 nan 0.000 0.433 42 F N -0.051 119.943 119.950 0.073 0.000 2.645 42 F HA 0.451 4.983 4.527 0.008 0.000 0.300 42 F C 1.144 177.017 175.800 0.121 0.000 1.115 42 F CA -0.175 57.885 58.000 0.099 0.000 1.355 42 F CB -0.977 38.065 39.000 0.070 0.000 1.026 42 F HN 0.056 nan 8.300 nan 0.000 0.536 43 A N 1.012 123.971 122.820 0.231 0.000 2.409 43 A HA 0.668 4.993 4.320 0.008 0.000 0.267 43 A C 0.335 178.058 177.584 0.231 0.000 1.127 43 A CA -0.091 52.101 52.037 0.258 0.000 0.795 43 A CB -0.122 19.087 19.000 0.349 0.000 1.061 43 A HN 0.247 nan 8.150 nan 0.000 0.502 44 A N 2.883 125.779 122.820 0.126 0.000 2.306 44 A HA 0.572 4.897 4.320 0.008 0.000 0.314 44 A C 0.087 177.498 177.584 -0.288 0.000 1.164 44 A CA -0.665 51.361 52.037 -0.019 0.000 0.822 44 A CB 0.275 19.294 19.000 0.030 0.000 1.130 44 A HN 0.866 nan 8.150 nan 0.000 0.496 45 N N 1.261 119.562 118.700 -0.666 0.000 2.414 45 N HA 0.415 5.160 4.740 0.008 0.000 0.256 45 N C -1.306 173.894 175.510 -0.517 0.000 1.029 45 N CA -0.220 52.264 53.050 -0.944 0.000 0.948 45 N CB 0.874 38.258 38.487 -1.839 0.000 1.102 45 N HN 0.434 nan 8.380 nan 0.000 0.496 46 L N 6.177 127.173 121.223 -0.378 0.000 2.490 46 L HA 0.603 4.948 4.340 0.008 0.000 0.256 46 L C -2.626 174.103 176.870 -0.235 0.000 1.089 46 L CA -2.119 52.561 54.840 -0.267 0.000 0.916 46 L CB 1.191 43.127 42.059 -0.205 0.000 1.188 46 L HN 0.469 nan 8.230 nan 0.000 0.476 47 P HA -0.051 nan 4.420 nan 0.000 0.261 47 P C 1.003 178.221 177.300 -0.137 0.000 1.173 47 P CA 0.121 63.125 63.100 -0.160 0.000 0.760 47 P CB 0.624 32.252 31.700 -0.118 0.000 0.783 48 L N 4.037 125.188 121.223 -0.120 0.000 2.089 48 L HA -0.258 4.087 4.340 0.008 0.000 0.213 48 L C 2.002 178.814 176.870 -0.097 0.000 1.079 48 L CA 2.092 56.868 54.840 -0.105 0.000 0.758 48 L CB -1.172 40.838 42.059 -0.080 0.000 0.891 48 L HN 0.271 nan 8.230 nan 0.000 0.433 49 S N -0.039 115.617 115.700 -0.074 0.000 2.402 49 S HA -0.211 4.264 4.470 0.008 0.000 0.233 49 S C 1.496 176.051 174.600 -0.075 0.000 1.030 49 S CA 1.827 59.997 58.200 -0.049 0.000 1.003 49 S CB -0.395 62.796 63.200 -0.015 0.000 0.813 49 S HN 0.733 nan 8.310 nan 0.000 0.477 50 R N 0.084 120.519 120.500 -0.107 0.000 2.629 50 R HA 0.385 4.729 4.340 0.008 0.000 0.408 50 R C 1.286 177.469 176.300 -0.195 0.000 1.057 50 R CA -0.308 55.707 56.100 -0.142 0.000 1.119 50 R CB -0.405 29.838 30.300 -0.096 0.000 1.403 50 R HN 0.151 nan 8.270 nan 0.000 0.576 51 L N 1.873 122.976 121.223 -0.200 0.000 1.997 51 L HA -0.182 4.163 4.340 0.008 0.000 0.216 51 L C 1.458 178.161 176.870 -0.278 0.000 1.074 51 L CA 2.092 56.803 54.840 -0.214 0.000 0.763 51 L CB -0.198 41.750 42.059 -0.185 0.000 0.890 51 L HN 0.208 nan 8.230 nan 0.000 0.434 52 E N -0.564 119.403 120.200 -0.389 0.000 2.204 52 E HA -0.163 4.192 4.350 0.008 0.000 0.195 52 E C 2.123 178.418 176.600 -0.509 0.000 0.990 52 E CA 1.283 57.360 56.400 -0.539 0.000 0.821 52 E CB -0.292 28.851 29.700 -0.929 0.000 0.750 52 E HN 0.540 nan 8.360 nan 0.000 0.477 53 L N 0.144 121.117 121.223 -0.418 0.000 2.313 53 L HA -0.018 4.327 4.340 0.008 0.000 0.214 53 L C 1.524 178.318 176.870 -0.126 0.000 1.119 53 L CA 0.997 55.688 54.840 -0.249 0.000 0.809 53 L CB -0.032 41.921 42.059 -0.176 0.000 0.933 53 L HN 0.112 nan 8.230 nan 0.000 0.449 54 E N -1.045 119.079 120.200 -0.125 0.000 2.536 54 E HA 0.011 4.366 4.350 0.008 0.000 0.220 54 E C 1.712 178.304 176.600 -0.012 0.000 0.876 54 E CA -0.090 56.292 56.400 -0.031 0.000 1.190 54 E CB 0.437 30.115 29.700 -0.037 0.000 1.191 54 E HN 0.158 nan 8.360 nan 0.000 0.557 55 I N 1.950 122.456 120.570 -0.106 0.000 2.194 55 I HA -0.284 3.891 4.170 0.008 0.000 0.246 55 I C 1.898 178.085 176.117 0.117 0.000 1.093 55 I CA 1.756 63.005 61.300 -0.085 0.000 1.355 55 I CB -0.092 37.777 38.000 -0.219 0.000 1.046 55 I HN 0.140 nan 8.210 nan 0.000 0.413 56 H N 0.110 119.275 119.070 0.158 0.000 2.491 56 H HA 0.125 4.687 4.556 0.009 0.000 0.290 56 H C 2.099 177.551 175.328 0.205 0.000 1.050 56 H CA 1.065 57.232 56.048 0.199 0.000 1.309 56 H CB -0.419 29.421 29.762 0.130 0.000 1.392 56 H HN 0.485 nan 8.280 nan 0.000 0.554 57 A N 0.528 123.546 122.820 0.330 0.000 1.924 57 A HA 0.017 4.341 4.320 0.008 0.000 0.211 57 A C 2.354 180.147 177.584 0.347 0.000 1.198 57 A CA 0.297 52.558 52.037 0.374 0.000 0.657 57 A CB 0.095 19.388 19.000 0.489 0.000 0.852 57 A HN 0.233 nan 8.150 nan 0.000 0.454 58 R N -0.915 119.737 120.500 0.253 0.000 2.161 58 R HA 0.124 4.469 4.340 0.008 0.000 0.213 58 R C -0.460 176.020 176.300 0.301 0.000 1.055 58 R CA 0.903 57.141 56.100 0.230 0.000 0.996 58 R CB 0.248 30.602 30.300 0.090 0.000 0.901 58 R HN 0.261 nan 8.270 nan 0.000 0.456 59 V N 2.445 122.505 119.914 0.244 0.000 2.462 59 V HA 0.126 4.251 4.120 0.008 0.000 0.257 59 V C -1.867 174.414 176.094 0.313 0.000 0.944 59 V CA -0.973 61.458 62.300 0.218 0.000 0.903 59 V CB 1.546 33.407 31.823 0.064 0.000 1.128 59 V HN 0.040 nan 8.190 nan 0.000 0.486 60 P HA -0.131 nan 4.420 nan 0.000 0.217 60 P C 0.652 178.039 177.300 0.145 0.000 1.150 60 P CA 0.771 63.986 63.100 0.192 0.000 0.832 60 P CB 0.446 32.202 31.700 0.093 0.000 0.787 61 R N 1.156 121.730 120.500 0.123 0.000 2.343 61 R HA 0.087 4.432 4.340 0.008 0.000 0.326 61 R C 1.530 177.925 176.300 0.158 0.000 1.055 61 R CA -0.229 55.926 56.100 0.091 0.000 0.961 61 R CB 0.406 30.742 30.300 0.061 0.000 0.978 61 R HN 0.023 nan 8.270 nan 0.000 0.443 62 R N 1.656 122.160 120.500 0.007 0.000 2.193 62 R HA -0.124 4.221 4.340 0.008 0.000 0.229 62 R C 0.780 177.122 176.300 0.071 0.000 1.110 62 R CA 1.168 57.189 56.100 -0.131 0.000 0.988 62 R CB -0.079 30.032 30.300 -0.315 0.000 0.871 62 R HN 0.647 nan 8.270 nan 0.000 0.458 63 D N -0.524 119.919 120.400 0.072 0.000 2.427 63 D HA 0.011 4.656 4.640 0.008 0.000 0.224 63 D C -0.436 175.926 176.300 0.105 0.000 1.157 63 D CA -0.216 53.834 54.000 0.083 0.000 0.828 63 D CB -0.118 40.704 40.800 0.037 0.000 0.974 63 D HN -0.249 nan 8.370 nan 0.000 0.498 64 T N 2.393 117.035 114.554 0.147 0.000 2.901 64 T HA 0.221 4.576 4.350 0.008 0.000 0.301 64 T C -2.476 172.289 174.700 0.107 0.000 1.012 64 T CA -0.773 61.397 62.100 0.116 0.000 1.135 64 T CB 1.268 70.214 68.868 0.129 0.000 0.936 64 T HN 0.025 nan 8.240 nan 0.000 0.539 65 P HA 0.245 nan 4.420 nan 0.000 0.269 65 P C -0.623 176.720 177.300 0.071 0.000 1.263 65 P CA 0.076 63.219 63.100 0.073 0.000 0.813 65 P CB -0.056 31.678 31.700 0.057 0.000 0.868 66 I N 3.013 123.624 120.570 0.067 0.000 2.359 66 I HA 0.292 4.467 4.170 0.008 0.000 0.294 66 I C 0.276 176.431 176.117 0.063 0.000 0.987 66 I CA -0.105 61.220 61.300 0.042 0.000 1.225 66 I CB 1.606 39.592 38.000 -0.024 0.000 1.366 66 I HN 0.116 nan 8.210 nan 0.000 0.466 67 T N 5.911 120.516 114.554 0.084 0.000 2.864 67 T HA 0.415 4.770 4.350 0.008 0.000 0.299 67 T C -0.211 174.577 174.700 0.147 0.000 1.011 67 T CA -0.545 61.627 62.100 0.120 0.000 0.975 67 T CB 1.317 70.275 68.868 0.150 0.000 0.962 67 T HN 0.391 nan 8.240 nan 0.000 0.448 68 V N 2.326 122.313 119.914 0.122 0.000 2.837 68 V HA 0.973 5.098 4.120 0.008 0.000 0.310 68 V C -0.838 175.378 176.094 0.203 0.000 1.059 68 V CA -0.958 61.402 62.300 0.100 0.000 1.004 68 V CB 0.999 32.828 31.823 0.010 0.000 1.045 68 V HN 0.903 nan 8.190 nan 0.000 0.465 69 Y N 0.849 121.170 120.300 0.035 0.000 2.677 69 Y HA 0.865 5.421 4.550 0.009 0.000 0.334 69 Y C -1.334 174.593 175.900 0.045 0.000 1.196 69 Y CA -0.697 57.434 58.100 0.052 0.000 1.059 69 Y CB 1.307 39.813 38.460 0.076 0.000 1.315 69 Y HN 0.863 nan 8.280 nan 0.000 0.455 70 D N -0.569 119.911 120.400 0.133 0.000 3.057 70 D HA 0.272 4.917 4.640 0.008 0.000 0.328 70 D C -1.344 175.084 176.300 0.213 0.000 1.317 70 D CA -0.469 53.562 54.000 0.051 0.000 0.973 70 D CB 0.847 41.645 40.800 -0.002 0.000 1.424 70 D HN 0.508 nan 8.370 nan 0.000 0.569 71 D N -1.884 118.598 120.400 0.136 0.000 2.892 71 D HA 0.432 5.077 4.640 0.008 0.000 0.291 71 D C 0.929 177.282 176.300 0.088 0.000 1.341 71 D CA 0.332 54.412 54.000 0.132 0.000 0.844 71 D CB -0.358 40.512 40.800 0.118 0.000 1.093 71 D HN 0.784 nan 8.370 nan 0.000 0.480 72 G N 0.765 109.613 108.800 0.081 0.000 2.176 72 G HA2 -0.295 3.670 3.960 0.008 0.000 0.232 72 G HA3 -0.295 3.670 3.960 0.008 0.000 0.232 72 G C 1.044 175.968 174.900 0.041 0.000 0.986 72 G CA 0.222 45.357 45.100 0.058 0.000 0.643 72 G HN 0.384 nan 8.290 nan 0.000 0.522 73 E N -0.113 120.108 120.200 0.036 0.000 2.338 73 E HA 0.356 4.711 4.350 0.008 0.000 0.197 73 E C 2.064 178.672 176.600 0.014 0.000 1.007 73 E CA 1.481 57.894 56.400 0.021 0.000 0.849 73 E CB -0.214 29.494 29.700 0.014 0.000 0.774 73 E HN 1.630 nan 8.360 nan 0.000 0.506 74 G N -0.145 108.666 108.800 0.018 0.000 2.132 74 G HA2 -0.288 3.677 3.960 0.008 0.000 0.234 74 G HA3 -0.288 3.677 3.960 0.008 0.000 0.234 74 G C 0.753 175.655 174.900 0.003 0.000 0.989 74 G CA 0.413 45.521 45.100 0.013 0.000 0.676 74 G HN 0.279 nan 8.290 nan 0.000 0.522 75 L N -0.318 120.903 121.223 -0.003 0.000 2.162 75 L HA 0.228 4.573 4.340 0.008 0.000 0.205 75 L C 3.201 180.058 176.870 -0.021 0.000 1.086 75 L CA 1.364 56.191 54.840 -0.020 0.000 0.778 75 L CB -0.703 41.334 42.059 -0.037 0.000 0.928 75 L HN 0.343 nan 8.230 nan 0.000 0.446 76 A N 1.333 124.148 122.820 -0.009 0.000 1.873 76 A HA -0.145 4.180 4.320 0.008 0.000 0.218 76 A C 0.042 177.633 177.584 0.011 0.000 1.193 76 A CA 1.973 54.011 52.037 0.002 0.000 0.629 76 A CB -1.936 17.090 19.000 0.043 0.000 0.826 76 A HN 0.288 nan 8.150 nan 0.000 0.447 77 P HA -0.101 nan 4.420 nan 0.000 0.218 77 P C 1.577 178.883 177.300 0.011 0.000 1.148 77 P CA 1.552 64.663 63.100 0.018 0.000 0.822 77 P CB -0.242 31.469 31.700 0.018 0.000 0.784 78 V N 0.861 120.776 119.914 0.002 0.000 2.358 78 V HA -0.186 3.939 4.120 0.008 0.000 0.246 78 V C 2.896 178.987 176.094 -0.005 0.000 1.047 78 V CA 2.094 64.394 62.300 -0.002 0.000 1.035 78 V CB -1.691 30.125 31.823 -0.011 0.000 0.658 78 V HN 0.099 nan 8.190 nan 0.000 0.452 79 A N 0.189 122.999 122.820 -0.018 0.000 1.902 79 A HA -0.140 4.185 4.320 0.008 0.000 0.217 79 A C 2.444 180.022 177.584 -0.009 0.000 1.181 79 A CA 2.155 54.172 52.037 -0.032 0.000 0.623 79 A CB -0.840 18.126 19.000 -0.057 0.000 0.818 79 A HN 0.565 nan 8.150 nan 0.000 0.443 80 A N -0.973 121.853 122.820 0.011 0.000 1.908 80 A HA -0.225 4.100 4.320 0.008 0.000 0.218 80 A C 2.168 179.796 177.584 0.074 0.000 1.181 80 A CA 2.236 54.297 52.037 0.039 0.000 0.627 80 A CB -0.534 18.491 19.000 0.042 0.000 0.818 80 A HN 0.552 nan 8.150 nan 0.000 0.445 81 Q N -0.087 119.748 119.800 0.058 0.000 2.046 81 Q HA -0.104 4.241 4.340 0.008 0.000 0.200 81 Q C 2.160 178.228 176.000 0.113 0.000 0.975 81 Q CA 1.934 57.785 55.803 0.080 0.000 0.836 81 Q CB -0.297 28.466 28.738 0.042 0.000 0.896 81 Q HN 0.661 nan 8.270 nan 0.000 0.428 82 R N -0.522 120.019 120.500 0.068 0.000 2.096 82 R HA -0.057 4.288 4.340 0.008 0.000 0.235 82 R C 2.345 178.700 176.300 0.091 0.000 1.127 82 R CA 1.334 57.471 56.100 0.062 0.000 0.968 82 R CB -0.336 29.973 30.300 0.014 0.000 0.861 82 R HN 0.295 nan 8.270 nan 0.000 0.440 83 L N -0.983 120.296 121.223 0.093 0.000 2.056 83 L HA -0.183 4.162 4.340 0.008 0.000 0.207 83 L C 2.487 179.505 176.870 0.247 0.000 1.078 83 L CA 1.408 56.342 54.840 0.156 0.000 0.749 83 L CB -0.478 41.605 42.059 0.040 0.000 0.901 83 L HN 0.259 nan 8.230 nan 0.000 0.433 84 H N 0.263 119.409 119.070 0.127 0.000 2.321 84 H HA -0.192 4.369 4.556 0.008 0.000 0.300 84 H C 1.784 177.168 175.328 0.092 0.000 1.087 84 H CA 1.964 58.078 56.048 0.112 0.000 1.319 84 H CB 0.063 29.867 29.762 0.071 0.000 1.379 84 H HN 0.231 nan 8.280 nan 0.000 0.501 85 D N 0.098 120.566 120.400 0.113 0.000 2.264 85 D HA -0.098 4.547 4.640 0.008 0.000 0.208 85 D C 1.815 178.131 176.300 0.026 0.000 0.966 85 D CA 0.694 54.730 54.000 0.060 0.000 0.864 85 D CB 0.044 40.908 40.800 0.106 0.000 0.933 85 D HN 0.463 nan 8.370 nan 0.000 0.499 86 L N -0.707 120.560 121.223 0.073 0.000 2.591 86 L HA 0.159 4.504 4.340 0.008 0.000 0.228 86 L C 1.529 178.397 176.870 -0.003 0.000 1.133 86 L CA 0.441 55.344 54.840 0.105 0.000 0.880 86 L CB 0.173 42.360 42.059 0.214 0.000 1.033 86 L HN 0.124 nan 8.230 nan 0.000 0.450 87 G N -1.584 107.152 108.800 -0.106 0.000 2.184 87 G HA2 -0.273 3.692 3.960 0.008 0.000 0.206 87 G HA3 -0.273 3.692 3.960 0.008 0.000 0.206 87 G C -0.114 174.604 174.900 -0.303 0.000 0.995 87 G CA -0.672 44.286 45.100 -0.236 0.000 0.651 87 G HN 0.173 nan 8.290 nan 0.000 0.511 88 Y N 2.072 122.347 120.300 -0.042 0.000 2.436 88 Y HA 0.391 4.946 4.550 0.008 0.000 0.336 88 Y C 1.840 177.734 175.900 -0.009 0.000 1.049 88 Y CA 0.479 58.578 58.100 -0.002 0.000 1.294 88 Y CB 1.438 39.919 38.460 0.034 0.000 1.179 88 Y HN 0.245 nan 8.280 nan 0.000 0.520 89 S N -0.408 115.354 115.700 0.103 0.000 2.558 89 S HA 0.003 4.478 4.470 0.008 0.000 0.217 89 S C 0.253 174.930 174.600 0.128 0.000 0.975 89 S CA 0.220 58.474 58.200 0.091 0.000 0.912 89 S CB 0.141 63.362 63.200 0.035 0.000 0.776 89 S HN 0.639 nan 8.310 nan 0.000 0.526 90 D N 1.491 121.979 120.400 0.148 0.000 2.513 90 D HA 0.389 5.033 4.640 0.008 0.000 0.295 90 D C -1.183 175.190 176.300 0.121 0.000 1.202 90 D CA -0.321 53.751 54.000 0.120 0.000 0.849 90 D CB 1.037 41.895 40.800 0.096 0.000 1.116 90 D HN 0.074 nan 8.370 nan 0.000 0.502 91 V N 1.059 121.050 119.914 0.129 0.000 2.547 91 V HA 0.972 5.097 4.120 0.008 0.000 0.299 91 V C 0.320 176.467 176.094 0.088 0.000 1.040 91 V CA -0.716 61.648 62.300 0.106 0.000 0.913 91 V CB 1.387 33.283 31.823 0.123 0.000 0.992 91 V HN 0.534 nan 8.190 nan 0.000 0.449 92 A N 4.212 127.080 122.820 0.080 0.000 2.594 92 A HA 0.912 5.237 4.320 0.008 0.000 0.291 92 A C -1.392 176.245 177.584 0.088 0.000 1.105 92 A CA -0.683 51.401 52.037 0.079 0.000 0.694 92 A CB 1.487 20.536 19.000 0.081 0.000 1.291 92 A HN 0.716 nan 8.150 nan 0.000 0.410 93 L N 0.903 122.180 121.223 0.090 0.000 2.322 93 L HA 0.491 4.836 4.340 0.008 0.000 0.279 93 L C -0.422 176.528 176.870 0.132 0.000 1.036 93 L CA -0.912 53.993 54.840 0.108 0.000 0.807 93 L CB 1.536 43.649 42.059 0.089 0.000 1.226 93 L HN 0.704 nan 8.230 nan 0.000 0.433 94 L N 2.284 123.613 121.223 0.176 0.000 2.360 94 L HA 0.151 4.496 4.340 0.008 0.000 0.276 94 L C 0.044 177.009 176.870 0.158 0.000 1.121 94 L CA 0.101 55.053 54.840 0.186 0.000 0.845 94 L CB 0.524 42.715 42.059 0.220 0.000 1.143 94 L HN 0.476 nan 8.230 nan 0.000 0.452 95 D N 4.314 124.798 120.400 0.139 0.000 2.451 95 D HA 0.330 4.975 4.640 0.008 0.000 0.254 95 D C 1.254 177.623 176.300 0.114 0.000 1.204 95 D CA 1.605 55.673 54.000 0.114 0.000 0.896 95 D CB 0.354 41.216 40.800 0.104 0.000 1.136 95 D HN 0.928 nan 8.370 nan 0.000 0.499 96 G N 2.489 111.348 108.800 0.099 0.000 2.184 96 G HA2 -0.148 3.817 3.960 0.008 0.000 0.264 96 G HA3 -0.148 3.817 3.960 0.008 0.000 0.264 96 G C 1.012 175.981 174.900 0.114 0.000 0.975 96 G CA 0.379 45.534 45.100 0.092 0.000 0.642 96 G HN 1.532 nan 8.290 nan 0.000 0.536 97 G N -0.667 108.221 108.800 0.147 0.000 2.575 97 G HA2 -0.073 3.892 3.960 0.008 0.000 0.267 97 G HA3 -0.073 3.892 3.960 0.008 0.000 0.267 97 G C 1.001 175.991 174.900 0.151 0.000 1.264 97 G CA 0.946 46.164 45.100 0.197 0.000 0.935 97 G HN 1.612 nan 8.290 nan 0.000 0.568 98 L N 0.382 121.717 121.223 0.188 0.000 2.042 98 L HA -0.003 4.341 4.340 0.008 0.000 0.210 98 L C 3.007 179.942 176.870 0.110 0.000 1.076 98 L CA 3.373 58.273 54.840 0.101 0.000 0.749 98 L CB -0.785 41.385 42.059 0.185 0.000 0.893 98 L HN 0.661 nan 8.230 nan 0.000 0.432 99 S N -0.305 115.456 115.700 0.101 0.000 2.399 99 S HA -0.094 4.381 4.470 0.008 0.000 0.231 99 S C 1.877 176.513 174.600 0.061 0.000 1.022 99 S CA 0.953 59.195 58.200 0.070 0.000 0.983 99 S CB -0.872 62.361 63.200 0.056 0.000 0.803 99 S HN 0.728 nan 8.310 nan 0.000 0.480 100 G N 0.631 109.481 108.800 0.084 0.000 2.418 100 G HA2 -0.223 3.742 3.960 0.008 0.000 0.217 100 G HA3 -0.223 3.742 3.960 0.008 0.000 0.217 100 G C 1.188 176.113 174.900 0.042 0.000 1.158 100 G CA 0.519 45.658 45.100 0.066 0.000 0.771 100 G HN 0.551 nan 8.290 nan 0.000 0.545 101 W N 1.689 122.928 121.300 -0.101 0.000 2.355 101 W HA -0.042 4.623 4.660 0.009 0.000 0.309 101 W C 2.523 178.871 176.519 -0.285 0.000 1.206 101 W CA 1.456 58.705 57.345 -0.161 0.000 1.284 101 W CB -0.247 29.138 29.460 -0.125 0.000 1.145 101 W HN 0.222 nan 8.180 nan 0.000 0.502 102 R N 0.659 121.214 120.500 0.092 0.000 2.073 102 R HA -0.193 4.152 4.340 0.008 0.000 0.234 102 R C 1.827 178.032 176.300 -0.157 0.000 1.134 102 R CA 2.001 58.088 56.100 -0.021 0.000 0.952 102 R CB -0.714 29.600 30.300 0.022 0.000 0.850 102 R HN 0.064 nan 8.270 nan 0.000 0.433 103 N N 0.535 119.162 118.700 -0.122 0.000 2.289 103 N HA -0.131 4.614 4.740 0.008 0.000 0.184 103 N C 1.256 176.642 175.510 -0.206 0.000 1.016 103 N CA 1.334 54.309 53.050 -0.126 0.000 0.872 103 N CB -0.180 38.269 38.487 -0.063 0.000 0.973 103 N HN 0.325 nan 8.380 nan 0.000 0.433 104 A N -0.255 122.345 122.820 -0.366 0.000 2.238 104 A HA 0.404 4.728 4.320 0.008 0.000 0.208 104 A C 1.513 178.665 177.584 -0.720 0.000 1.177 104 A CA 0.842 52.575 52.037 -0.507 0.000 0.804 104 A CB -0.260 18.326 19.000 -0.690 0.000 0.823 104 A HN 0.320 nan 8.150 nan 0.000 0.482 105 G N -1.922 106.502 108.800 -0.627 0.000 2.159 105 G HA2 -0.022 3.943 3.960 0.008 0.000 0.227 105 G HA3 -0.022 3.943 3.960 0.008 0.000 0.227 105 G C 0.670 175.176 174.900 -0.657 0.000 0.986 105 G CA 0.113 44.910 45.100 -0.505 0.000 0.651 105 G HN 1.376 nan 8.290 nan 0.000 0.523 106 G N -0.105 108.013 108.800 -1.137 0.000 2.441 106 G HA2 0.480 4.445 3.960 0.008 0.000 0.243 106 G HA3 0.480 4.445 3.960 0.008 0.000 0.243 106 G C 0.068 174.956 174.900 -0.020 0.000 1.281 106 G CA 0.492 45.049 45.100 -0.905 0.000 0.854 106 G HN 0.487 nan 8.290 nan 0.000 0.560 107 E N 0.525 120.882 120.200 0.261 0.000 2.354 107 E HA 0.397 4.752 4.350 0.008 0.000 0.269 107 E C -0.235 176.481 176.600 0.194 0.000 1.036 107 E CA -0.177 56.302 56.400 0.131 0.000 0.876 107 E CB 0.669 30.417 29.700 0.081 0.000 1.009 107 E HN 0.311 nan 8.360 nan 0.000 0.416 108 L N 4.247 125.391 121.223 -0.131 0.000 2.354 108 L HA 0.560 4.905 4.340 0.008 0.000 0.269 108 L C -0.811 175.806 176.870 -0.423 0.000 1.005 108 L CA -0.859 53.894 54.840 -0.144 0.000 0.819 108 L CB 1.071 43.080 42.059 -0.084 0.000 1.311 108 L HN 0.566 nan 8.230 nan 0.000 0.423 109 F N 0.572 120.347 119.950 -0.293 0.000 2.577 109 F HA 0.624 5.155 4.527 0.008 0.000 0.318 109 F C 0.187 175.681 175.800 -0.510 0.000 1.065 109 F CA -0.825 57.003 58.000 -0.286 0.000 0.929 109 F CB 1.894 40.732 39.000 -0.269 0.000 1.237 109 F HN 0.410 nan 8.300 nan 0.000 0.468 110 R N 0.409 120.851 120.500 -0.096 0.000 2.810 110 R HA 0.621 4.965 4.340 0.008 0.000 0.245 110 R C -0.742 175.274 176.300 -0.474 0.000 1.168 110 R CA -0.753 55.131 56.100 -0.360 0.000 1.096 110 R CB 1.120 31.204 30.300 -0.360 0.000 1.259 110 R HN 0.730 nan 8.270 nan 0.000 0.518 111 D N -1.494 118.520 120.400 -0.644 0.000 4.199 111 D HA -0.194 4.451 4.640 0.008 0.000 0.291 111 D C -1.063 175.128 176.300 -0.182 0.000 2.213 111 D CA 1.391 55.016 54.000 -0.625 0.000 1.174 111 D CB -0.109 40.140 40.800 -0.918 0.000 1.012 111 D HN 0.490 nan 8.370 nan 0.000 1.213 112 V N -1.996 117.989 119.914 0.118 0.000 3.046 112 V HA 0.674 4.799 4.120 0.008 0.000 0.316 112 V C 0.490 176.796 176.094 0.353 0.000 1.104 112 V CA 0.079 62.582 62.300 0.338 0.000 1.006 112 V CB 1.556 33.644 31.823 0.442 0.000 1.058 112 V HN 0.903 nan 8.190 nan 0.000 0.440 113 N N 0.205 119.094 118.700 0.314 0.000 2.727 113 N HA -0.174 4.571 4.740 0.008 0.000 0.249 113 N C 0.654 176.289 175.510 0.207 0.000 1.048 113 N CA 0.640 53.807 53.050 0.196 0.000 0.714 113 N CB -1.128 37.418 38.487 0.098 0.000 0.959 113 N HN 0.649 nan 8.380 nan 0.000 0.544 114 V N -0.402 119.652 119.914 0.233 0.000 2.343 114 V HA -0.175 3.950 4.120 0.008 0.000 0.247 114 V C -0.326 175.765 176.094 -0.004 0.000 1.051 114 V CA 2.151 64.544 62.300 0.155 0.000 1.036 114 V CB -0.910 30.942 31.823 0.048 0.000 0.654 114 V HN 0.311 nan 8.190 nan 0.000 0.451 115 P HA -0.105 nan 4.420 nan 0.000 0.215 115 P C 2.037 179.425 177.300 0.147 0.000 1.153 115 P CA 1.824 64.982 63.100 0.096 0.000 0.853 115 P CB -0.093 31.735 31.700 0.212 0.000 0.788 116 S N -0.434 115.324 115.700 0.097 0.000 2.368 116 S HA -0.154 4.321 4.470 0.008 0.000 0.225 116 S C 1.713 176.331 174.600 0.030 0.000 1.030 116 S CA 1.409 59.635 58.200 0.043 0.000 0.999 116 S CB -0.633 62.576 63.200 0.015 0.000 0.844 116 S HN 0.286 nan 8.310 nan 0.000 0.459 117 K N 1.360 121.777 120.400 0.028 0.000 2.103 117 K HA 0.125 4.450 4.320 0.008 0.000 0.204 117 K C 2.405 178.934 176.600 -0.119 0.000 1.052 117 K CA 0.999 57.266 56.287 -0.034 0.000 0.945 117 K CB -0.271 32.259 32.500 0.050 0.000 0.722 117 K HN 0.309 nan 8.250 nan 0.000 0.443 118 A N 1.176 123.945 122.820 -0.086 0.000 1.930 118 A HA -0.162 4.163 4.320 0.008 0.000 0.217 118 A C 1.975 179.534 177.584 -0.042 0.000 1.175 118 A CA 1.056 53.029 52.037 -0.106 0.000 0.627 118 A CB -0.639 18.324 19.000 -0.063 0.000 0.815 118 A HN 0.353 nan 8.150 nan 0.000 0.443 119 F N 1.358 121.221 119.950 -0.145 0.000 2.171 119 F HA -0.021 4.511 4.527 0.008 0.000 0.300 119 F C 2.241 177.883 175.800 -0.263 0.000 1.090 119 F CA 1.336 59.150 58.000 -0.310 0.000 1.293 119 F CB -0.742 37.866 39.000 -0.653 0.000 1.013 119 F HN 0.189 nan 8.300 nan 0.000 0.486 120 G N 0.042 108.639 108.800 -0.339 0.000 2.440 120 G HA2 -0.244 3.721 3.960 0.008 0.000 0.218 120 G HA3 -0.244 3.721 3.960 0.008 0.000 0.218 120 G C 1.545 176.206 174.900 -0.398 0.000 1.154 120 G CA 0.880 45.725 45.100 -0.425 0.000 0.767 120 G HN 0.341 nan 8.290 nan 0.000 0.552 121 E N 0.031 120.044 120.200 -0.312 0.000 2.106 121 E HA -0.059 4.296 4.350 0.008 0.000 0.192 121 E C 2.466 178.897 176.600 -0.282 0.000 0.984 121 E CA 0.405 56.642 56.400 -0.271 0.000 0.806 121 E CB -0.406 29.136 29.700 -0.264 0.000 0.750 121 E HN 0.403 nan 8.360 nan 0.000 0.458 122 L N 0.621 121.653 121.223 -0.319 0.000 2.083 122 L HA -0.131 4.214 4.340 0.008 0.000 0.209 122 L C 2.245 178.911 176.870 -0.340 0.000 1.083 122 L CA 1.145 55.817 54.840 -0.280 0.000 0.752 122 L CB -0.384 41.550 42.059 -0.209 0.000 0.899 122 L HN -0.110 nan 8.230 nan 0.000 0.433 123 V N -0.249 119.347 119.914 -0.530 0.000 2.295 123 V HA -0.317 3.808 4.120 0.008 0.000 0.246 123 V C 2.578 178.514 176.094 -0.264 0.000 1.049 123 V CA 2.117 64.164 62.300 -0.423 0.000 1.024 123 V CB -0.650 30.847 31.823 -0.544 0.000 0.648 123 V HN 0.592 nan 8.190 nan 0.000 0.447 124 E N 0.034 120.084 120.200 -0.250 0.000 2.077 124 E HA -0.213 4.142 4.350 0.008 0.000 0.193 124 E C 2.242 178.729 176.600 -0.188 0.000 0.989 124 E CA 1.273 57.572 56.400 -0.170 0.000 0.800 124 E CB -0.206 29.417 29.700 -0.128 0.000 0.746 124 E HN 0.565 nan 8.360 nan 0.000 0.452 125 A N 1.148 123.846 122.820 -0.202 0.000 1.902 125 A HA -0.186 4.139 4.320 0.008 0.000 0.217 125 A C 1.982 179.373 177.584 -0.322 0.000 1.181 125 A CA 1.488 53.407 52.037 -0.196 0.000 0.623 125 A CB -0.322 18.581 19.000 -0.162 0.000 0.818 125 A HN 0.207 nan 8.150 nan 0.000 0.443 126 E N -0.662 119.365 120.200 -0.288 0.000 2.122 126 E HA -0.021 4.334 4.350 0.008 0.000 0.190 126 E C 1.741 178.112 176.600 -0.382 0.000 0.977 126 E CA 0.575 56.809 56.400 -0.276 0.000 0.820 126 E CB -0.145 29.483 29.700 -0.120 0.000 0.770 126 E HN 0.372 nan 8.360 nan 0.000 0.462 127 R N 0.196 120.509 120.500 -0.311 0.000 2.362 127 R HA 0.080 4.425 4.340 0.008 0.000 0.227 127 R C -0.185 176.038 176.300 -0.128 0.000 0.905 127 R CA -0.137 55.855 56.100 -0.180 0.000 1.067 127 R CB -0.234 30.040 30.300 -0.043 0.000 1.078 127 R HN 0.271 nan 8.270 nan 0.000 0.516 128 H N 0.224 119.288 119.070 -0.010 0.000 2.713 128 H HA -0.121 4.440 4.556 0.008 0.000 0.311 128 H C -0.519 174.807 175.328 -0.003 0.000 1.175 128 H CA 1.042 57.086 56.048 -0.007 0.000 1.143 128 H CB -2.425 27.338 29.762 0.002 0.000 1.434 128 H HN 0.028 nan 8.280 nan 0.000 0.418 129 T N 2.588 117.164 114.554 0.037 0.000 2.800 129 T HA 0.105 4.460 4.350 0.008 0.000 0.283 129 T C -1.659 173.067 174.700 0.043 0.000 0.999 129 T CA -0.617 61.501 62.100 0.030 0.000 1.176 129 T CB 0.636 69.495 68.868 -0.015 0.000 0.973 129 T HN 0.192 nan 8.240 nan 0.000 0.519 130 P HA 0.206 nan 4.420 nan 0.000 0.267 130 P C -0.512 176.811 177.300 0.037 0.000 1.200 130 P CA -0.207 62.920 63.100 0.045 0.000 0.772 130 P CB 0.507 32.233 31.700 0.042 0.000 0.855 131 S N 1.642 117.365 115.700 0.039 0.000 2.579 131 S HA 0.731 5.206 4.470 0.008 0.000 0.272 131 S C -1.362 173.265 174.600 0.045 0.000 1.141 131 S CA -0.903 57.322 58.200 0.041 0.000 0.843 131 S CB 0.879 64.103 63.200 0.040 0.000 1.122 131 S HN 0.197 nan 8.310 nan 0.000 0.468 132 L N 1.618 122.875 121.223 0.055 0.000 2.365 132 L HA 0.803 5.148 4.340 0.008 0.000 0.273 132 L C 0.454 177.366 176.870 0.071 0.000 1.000 132 L CA -1.086 53.789 54.840 0.060 0.000 0.819 132 L CB 1.983 44.083 42.059 0.069 0.000 1.284 132 L HN 1.031 nan 8.230 nan 0.000 0.418 133 A N 1.661 124.513 122.820 0.054 0.000 2.386 133 A HA 0.511 4.836 4.320 0.008 0.000 0.248 133 A C 1.243 178.864 177.584 0.062 0.000 1.082 133 A CA 0.475 52.539 52.037 0.046 0.000 0.789 133 A CB 0.708 19.717 19.000 0.015 0.000 1.025 133 A HN 0.980 nan 8.150 nan 0.000 0.490 134 A N 1.057 123.910 122.820 0.055 0.000 1.917 134 A HA -0.187 4.138 4.320 0.008 0.000 0.219 134 A C 1.721 179.218 177.584 -0.145 0.000 1.182 134 A CA 2.359 54.413 52.037 0.028 0.000 0.633 134 A CB -0.659 18.299 19.000 -0.071 0.000 0.819 134 A HN 0.891 nan 8.150 nan 0.000 0.448 135 E N -0.071 120.050 120.200 -0.131 0.000 2.150 135 E HA -0.135 4.220 4.350 0.008 0.000 0.193 135 E C 1.946 178.511 176.600 -0.059 0.000 0.985 135 E CA 1.386 57.704 56.400 -0.136 0.000 0.814 135 E CB -0.192 29.449 29.700 -0.099 0.000 0.752 135 E HN 0.774 nan 8.360 nan 0.000 0.466 136 E N -0.062 120.134 120.200 -0.007 0.000 2.106 136 E HA -0.116 4.239 4.350 0.008 0.000 0.192 136 E C 2.011 178.647 176.600 0.061 0.000 0.984 136 E CA 1.051 57.466 56.400 0.024 0.000 0.806 136 E CB 0.096 29.817 29.700 0.033 0.000 0.750 136 E HN 0.088 nan 8.360 nan 0.000 0.458 137 V N 1.207 121.190 119.914 0.115 0.000 2.427 137 V HA -0.243 3.882 4.120 0.008 0.000 0.248 137 V C 2.383 178.615 176.094 0.231 0.000 1.051 137 V CA 1.744 64.166 62.300 0.204 0.000 1.048 137 V CB -0.403 31.630 31.823 0.350 0.000 0.666 137 V HN 0.188 nan 8.190 nan 0.000 0.456 138 Q N 1.019 120.904 119.800 0.141 0.000 2.124 138 Q HA -0.136 4.209 4.340 0.008 0.000 0.202 138 Q C 2.106 178.143 176.000 0.062 0.000 0.977 138 Q CA 2.219 58.071 55.803 0.082 0.000 0.850 138 Q CB -0.585 28.035 28.738 -0.196 0.000 0.901 138 Q HN 0.576 nan 8.270 nan 0.000 0.429 139 A N 0.103 122.941 122.820 0.029 0.000 1.933 139 A HA -0.109 4.215 4.320 0.008 0.000 0.218 139 A C 2.121 179.731 177.584 0.045 0.000 1.175 139 A CA 1.333 53.385 52.037 0.025 0.000 0.628 139 A CB -0.743 18.264 19.000 0.011 0.000 0.814 139 A HN 0.459 nan 8.150 nan 0.000 0.444 140 L N -0.633 120.628 121.223 0.063 0.000 2.083 140 L HA -0.194 4.151 4.340 0.008 0.000 0.209 140 L C 2.538 179.448 176.870 0.068 0.000 1.083 140 L CA 1.067 55.944 54.840 0.063 0.000 0.752 140 L CB -0.498 41.604 42.059 0.072 0.000 0.899 140 L HN 0.392 nan 8.230 nan 0.000 0.433 141 L N -0.670 120.610 121.223 0.094 0.000 2.056 141 L HA -0.202 4.142 4.340 0.008 0.000 0.207 141 L C 2.087 178.998 176.870 0.068 0.000 1.078 141 L CA 0.987 55.882 54.840 0.093 0.000 0.749 141 L CB -0.610 41.534 42.059 0.143 0.000 0.901 141 L HN 0.270 nan 8.230 nan 0.000 0.433 142 D N 0.323 120.759 120.400 0.060 0.000 2.264 142 D HA -0.103 4.542 4.640 0.008 0.000 0.208 142 D C 1.883 178.202 176.300 0.032 0.000 0.966 142 D CA 1.251 55.275 54.000 0.040 0.000 0.864 142 D CB 0.139 40.956 40.800 0.027 0.000 0.933 142 D HN 0.315 nan 8.370 nan 0.000 0.499 143 A N 0.130 122.970 122.820 0.034 0.000 2.308 143 A HA 0.110 4.435 4.320 0.008 0.000 0.217 143 A C 0.711 178.312 177.584 0.028 0.000 1.216 143 A CA -0.168 51.885 52.037 0.028 0.000 0.864 143 A CB -0.195 18.821 19.000 0.026 0.000 0.902 143 A HN 0.133 nan 8.150 nan 0.000 0.499 144 R N -1.687 118.833 120.500 0.033 0.000 3.525 144 R HA -0.190 4.155 4.340 0.008 0.000 0.276 144 R C 0.431 176.749 176.300 0.029 0.000 1.116 144 R CA 0.279 56.398 56.100 0.031 0.000 0.745 144 R CB -2.678 27.637 30.300 0.025 0.000 1.185 144 R HN 0.734 nan 8.270 nan 0.000 0.454 145 A N 1.422 124.262 122.820 0.033 0.000 2.483 145 A HA 0.087 4.412 4.320 0.008 0.000 0.238 145 A C 0.585 178.187 177.584 0.030 0.000 1.070 145 A CA -0.018 52.038 52.037 0.031 0.000 0.770 145 A CB 0.264 19.286 19.000 0.036 0.000 1.008 145 A HN 0.386 nan 8.150 nan 0.000 0.497 146 E N 0.719 120.934 120.200 0.026 0.000 1.944 146 E HA 0.446 4.801 4.350 0.008 0.000 0.272 146 E C -0.274 176.342 176.600 0.026 0.000 1.195 146 E CA 0.148 56.562 56.400 0.024 0.000 0.926 146 E CB -0.080 29.632 29.700 0.021 0.000 1.051 146 E HN 0.813 nan 8.360 nan 0.000 0.404 147 A N 3.176 126.013 122.820 0.028 0.000 2.589 147 A HA 0.513 4.838 4.320 0.008 0.000 0.296 147 A C -1.068 176.532 177.584 0.027 0.000 1.062 147 A CA -0.636 51.418 52.037 0.029 0.000 0.686 147 A CB 1.491 20.513 19.000 0.036 0.000 1.282 147 A HN 0.451 nan 8.150 nan 0.000 0.404 148 V N -0.617 119.311 119.914 0.024 0.000 2.680 148 V HA 0.831 4.956 4.120 0.008 0.000 0.309 148 V C -0.563 175.541 176.094 0.017 0.000 1.052 148 V CA -0.725 61.587 62.300 0.021 0.000 0.908 148 V CB 1.495 33.331 31.823 0.021 0.000 1.001 148 V HN 0.708 nan 8.190 nan 0.000 0.431 149 I N 4.938 125.513 120.570 0.008 0.000 2.355 149 I HA 0.444 4.619 4.170 0.008 0.000 0.288 149 I C -0.621 175.497 176.117 0.002 0.000 0.999 149 I CA -0.388 60.910 61.300 -0.003 0.000 1.163 149 I CB 1.502 39.479 38.000 -0.038 0.000 1.316 149 I HN 0.464 nan 8.210 nan 0.000 0.454 150 L N 5.460 126.686 121.223 0.004 0.000 2.287 150 L HA 0.430 4.775 4.340 0.008 0.000 0.287 150 L C -0.175 176.698 176.870 0.004 0.000 1.022 150 L CA -0.561 54.281 54.840 0.003 0.000 0.814 150 L CB 1.424 43.488 42.059 0.007 0.000 1.217 150 L HN 0.522 nan 8.230 nan 0.000 0.420 151 D N 2.650 123.051 120.400 0.003 0.000 2.347 151 D HA 0.264 4.909 4.640 0.008 0.000 0.235 151 D C 0.510 176.825 176.300 0.025 0.000 1.149 151 D CA -0.145 53.875 54.000 0.034 0.000 0.850 151 D CB 2.157 43.032 40.800 0.125 0.000 1.061 151 D HN 0.658 nan 8.370 nan 0.000 0.487 152 A N 4.934 127.769 122.820 0.025 0.000 2.238 152 A HA 0.048 4.373 4.320 0.008 0.000 0.208 152 A C 1.164 178.769 177.584 0.034 0.000 1.177 152 A CA 0.172 52.220 52.037 0.018 0.000 0.804 152 A CB 0.122 19.119 19.000 -0.006 0.000 0.823 152 A HN 0.490 nan 8.150 nan 0.000 0.482 153 R N -0.328 120.209 120.500 0.062 0.000 2.571 153 R HA 0.424 4.768 4.340 0.008 0.000 0.259 153 R C -0.014 176.349 176.300 0.105 0.000 1.226 153 R CA -0.779 55.368 56.100 0.079 0.000 1.157 153 R CB 0.340 30.697 30.300 0.094 0.000 1.220 153 R HN 0.288 nan 8.270 nan 0.000 0.605 154 R N 0.294 120.861 120.500 0.111 0.000 2.694 154 R HA -0.035 4.310 4.340 0.008 0.000 0.268 154 R C 1.063 177.483 176.300 0.199 0.000 1.061 154 R CA -0.086 56.101 56.100 0.143 0.000 1.133 154 R CB 0.147 30.518 30.300 0.118 0.000 1.020 154 R HN 0.497 nan 8.270 nan 0.000 0.475 155 F N 2.705 122.709 119.950 0.090 0.000 2.161 155 F HA -0.236 4.296 4.527 0.008 0.000 0.300 155 F C 2.006 177.901 175.800 0.159 0.000 1.089 155 F CA 2.209 60.280 58.000 0.118 0.000 1.282 155 F CB -0.149 38.894 39.000 0.071 0.000 1.010 155 F HN 0.670 nan 8.300 nan 0.000 0.485 156 D N -0.534 119.917 120.400 0.084 0.000 2.178 156 D HA -0.208 4.436 4.640 0.008 0.000 0.202 156 D C 1.636 177.900 176.300 -0.061 0.000 0.974 156 D CA 1.409 55.394 54.000 -0.026 0.000 0.841 156 D CB -0.690 40.140 40.800 0.050 0.000 0.953 156 D HN 0.476 nan 8.370 nan 0.000 0.478 157 E N -0.247 119.954 120.200 0.002 0.000 2.046 157 E HA -0.171 4.184 4.350 0.008 0.000 0.190 157 E C 2.031 178.613 176.600 -0.029 0.000 0.982 157 E CA 0.696 57.097 56.400 0.002 0.000 0.800 157 E CB -0.365 29.368 29.700 0.054 0.000 0.756 157 E HN 0.363 nan 8.360 nan 0.000 0.449 158 Y N 1.969 122.179 120.300 -0.151 0.000 2.207 158 Y HA -0.242 4.313 4.550 0.008 0.000 0.287 158 Y C 2.061 177.799 175.900 -0.269 0.000 1.156 158 Y CA 1.669 59.654 58.100 -0.191 0.000 1.182 158 Y CB -0.005 38.347 38.460 -0.181 0.000 0.979 158 Y HN -0.019 nan 8.280 nan 0.000 0.521 159 Q N 0.033 119.567 119.800 -0.445 0.000 2.297 159 Q HA -0.044 4.301 4.340 0.008 0.000 0.204 159 Q C 0.840 176.672 176.000 -0.280 0.000 0.962 159 Q CA 1.096 56.612 55.803 -0.478 0.000 0.879 159 Q CB -0.163 28.314 28.738 -0.436 0.000 0.947 159 Q HN 0.387 nan 8.270 nan 0.000 0.462 163 I N 1.470 121.782 120.570 -0.431 0.000 2.529 163 I HA 0.349 4.524 4.170 0.008 0.000 0.284 163 I C -2.307 173.539 176.117 -0.452 0.000 1.082 163 I CA -2.075 58.798 61.300 -0.710 0.000 1.406 163 I CB -0.187 37.373 38.000 -0.733 0.000 1.405 163 I HN 0.459 nan 8.210 nan 0.000 0.548 164 P HA 0.033 nan 4.420 nan 0.000 0.260 164 P C 0.873 178.110 177.300 -0.106 0.000 1.172 164 P CA 0.992 63.992 63.100 -0.168 0.000 0.760 164 P CB 0.315 31.997 31.700 -0.032 0.000 0.773 165 G N 2.395 111.164 108.800 -0.051 0.000 2.184 165 G HA2 -0.211 3.753 3.960 0.008 0.000 0.264 165 G HA3 -0.211 3.753 3.960 0.008 0.000 0.264 165 G C 0.699 175.610 174.900 0.019 0.000 0.975 165 G CA -0.129 44.968 45.100 -0.005 0.000 0.642 165 G HN 0.889 nan 8.290 nan 0.000 0.536 166 G N -0.352 108.457 108.800 0.015 0.000 2.484 166 G HA2 0.455 4.419 3.960 0.008 0.000 0.235 166 G HA3 0.455 4.419 3.960 0.008 0.000 0.235 166 G C 0.013 175.020 174.900 0.178 0.000 1.282 166 G CA 0.111 45.262 45.100 0.086 0.000 0.857 166 G HN 0.803 nan 8.290 nan 0.000 0.571 167 I N 0.560 121.158 120.570 0.047 0.000 2.465 167 I HA 0.197 4.372 4.170 0.008 0.000 0.291 167 I C 0.475 176.433 176.117 -0.265 0.000 1.014 167 I CA -0.637 60.616 61.300 -0.078 0.000 1.093 167 I CB 2.144 40.136 38.000 -0.015 0.000 1.267 167 I HN 0.466 nan 8.210 nan 0.000 0.431 168 S N 5.592 120.924 115.700 -0.612 0.000 2.465 168 S HA 0.353 4.827 4.470 0.008 0.000 0.280 168 S C -0.383 174.219 174.600 0.005 0.000 1.232 168 S CA -0.244 57.663 58.200 -0.489 0.000 1.066 168 S CB -0.014 62.873 63.200 -0.521 0.000 0.929 168 S HN 0.402 nan 8.310 nan 0.000 0.494 169 V N 8.493 128.443 119.914 0.061 0.000 2.558 169 V HA 0.302 4.427 4.120 0.008 0.000 0.261 169 V C -2.472 173.647 176.094 0.042 0.000 0.958 169 V CA -1.620 60.759 62.300 0.131 0.000 0.852 169 V CB 0.923 32.776 31.823 0.050 0.000 1.067 169 V HN 0.672 nan 8.190 nan 0.000 0.468 170 P HA 0.007 nan 4.420 nan 0.000 0.264 170 P C 1.467 178.757 177.300 -0.017 0.000 1.173 170 P CA 1.204 64.329 63.100 0.041 0.000 0.761 170 P CB 0.834 32.579 31.700 0.076 0.000 0.794 171 G N 3.785 112.579 108.800 -0.010 0.000 2.830 171 G HA2 -0.418 3.546 3.960 0.008 0.000 0.230 171 G HA3 -0.418 3.546 3.960 0.008 0.000 0.230 171 G C 1.476 176.370 174.900 -0.010 0.000 1.172 171 G CA 1.291 46.380 45.100 -0.017 0.000 0.764 171 G HN 0.613 nan 8.290 nan 0.000 0.640 172 A N -0.307 122.504 122.820 -0.015 0.000 2.121 172 A HA 0.098 4.423 4.320 0.008 0.000 0.218 172 A C 2.169 179.712 177.584 -0.067 0.000 1.154 172 A CA 1.842 53.873 52.037 -0.010 0.000 0.679 172 A CB -0.162 18.831 19.000 -0.011 0.000 0.795 172 A HN 0.401 nan 8.150 nan 0.000 0.458 173 E N 0.036 120.153 120.200 -0.139 0.000 2.371 173 E HA -0.004 4.351 4.350 0.008 0.000 0.194 173 E C 1.820 178.300 176.600 -0.200 0.000 1.012 173 E CA 0.165 56.404 56.400 -0.268 0.000 0.860 173 E CB -0.315 29.055 29.700 -0.550 0.000 0.811 173 E HN 0.679 nan 8.360 nan 0.000 0.502 174 L N 0.414 121.575 121.223 -0.104 0.000 1.978 174 L HA -0.234 4.110 4.340 0.008 0.000 0.218 174 L C 2.459 179.305 176.870 -0.040 0.000 1.075 174 L CA 1.323 56.130 54.840 -0.055 0.000 0.767 174 L CB -0.791 41.264 42.059 -0.006 0.000 0.890 174 L HN 0.005 nan 8.230 nan 0.000 0.434 175 V N -0.431 119.471 119.914 -0.020 0.000 2.490 175 V HA -0.254 3.871 4.120 0.008 0.000 0.250 175 V C 2.241 178.314 176.094 -0.036 0.000 1.061 175 V CA 1.496 63.788 62.300 -0.013 0.000 1.064 175 V CB -0.349 31.475 31.823 0.002 0.000 0.670 175 V HN 0.333 nan 8.190 nan 0.000 0.461 176 L N 0.039 121.222 121.223 -0.067 0.000 2.109 176 L HA 0.004 4.348 4.340 0.008 0.000 0.207 176 L C 2.399 179.218 176.870 -0.085 0.000 1.086 176 L CA 1.791 56.582 54.840 -0.081 0.000 0.760 176 L CB -0.417 41.573 42.059 -0.116 0.000 0.910 176 L HN 0.146 nan 8.230 nan 0.000 0.437 177 R N -1.360 119.072 120.500 -0.112 0.000 2.282 177 R HA 0.165 4.510 4.340 0.008 0.000 0.195 177 R C 2.105 178.392 176.300 -0.023 0.000 0.909 177 R CA 0.841 56.895 56.100 -0.077 0.000 1.039 177 R CB -0.941 29.279 30.300 -0.134 0.000 1.015 177 R HN 0.299 nan 8.270 nan 0.000 0.513 178 V N 1.934 121.834 119.914 -0.023 0.000 2.380 178 V HA -0.251 3.874 4.120 0.008 0.000 0.251 178 V C 2.194 178.292 176.094 0.005 0.000 1.063 178 V CA 2.193 64.491 62.300 -0.002 0.000 1.055 178 V CB -0.466 31.357 31.823 -0.000 0.000 0.657 178 V HN 0.341 nan 8.190 nan 0.000 0.455 179 A N -0.870 121.951 122.820 0.002 0.000 2.019 179 A HA -0.162 4.163 4.320 0.008 0.000 0.219 179 A C 2.081 179.671 177.584 0.010 0.000 1.164 179 A CA 1.653 53.693 52.037 0.005 0.000 0.644 179 A CB -0.355 18.646 19.000 0.002 0.000 0.805 179 A HN 0.679 nan 8.150 nan 0.000 0.449 180 E N -0.441 119.768 120.200 0.014 0.000 2.318 180 E HA 0.061 4.416 4.350 0.008 0.000 0.193 180 E C 1.685 178.300 176.600 0.026 0.000 0.998 180 E CA 0.453 56.866 56.400 0.021 0.000 0.859 180 E CB -0.057 29.661 29.700 0.030 0.000 0.812 180 E HN 0.662 nan 8.360 nan 0.000 0.492 181 L N -0.287 120.952 121.223 0.028 0.000 2.416 181 L HA 0.194 4.539 4.340 0.008 0.000 0.216 181 L C 1.124 178.008 176.870 0.023 0.000 1.098 181 L CA 0.298 55.156 54.840 0.030 0.000 0.840 181 L CB 0.357 42.439 42.059 0.038 0.000 0.981 181 L HN -0.107 nan 8.230 nan 0.000 0.462 182 A N -0.241 122.590 122.820 0.019 0.000 3.410 182 A HA 0.373 4.698 4.320 0.008 0.000 0.276 182 A C -1.826 175.767 177.584 0.015 0.000 0.995 182 A CA -0.679 51.368 52.037 0.017 0.000 0.934 182 A CB -0.063 18.948 19.000 0.018 0.000 1.191 182 A HN -0.081 nan 8.150 nan 0.000 0.511 183 P HA -0.129 nan 4.420 nan 0.000 0.218 183 P C 0.031 177.338 177.300 0.012 0.000 1.149 183 P CA 0.926 64.034 63.100 0.012 0.000 0.817 183 P CB 0.084 31.791 31.700 0.012 0.000 0.785 184 D N 0.968 121.375 120.400 0.013 0.000 2.343 184 D HA 0.056 4.701 4.640 0.008 0.000 0.255 184 D C -1.170 175.138 176.300 0.013 0.000 1.187 184 D CA -2.187 51.820 54.000 0.012 0.000 0.875 184 D CB 1.308 42.116 40.800 0.013 0.000 1.136 184 D HN 0.063 nan 8.370 nan 0.000 0.469 185 P HA -0.117 nan 4.420 nan 0.000 0.223 185 P C 0.906 178.215 177.300 0.015 0.000 1.144 185 P CA 0.749 63.857 63.100 0.013 0.000 0.783 185 P CB 0.415 32.122 31.700 0.012 0.000 0.771 186 R N -0.709 119.800 120.500 0.014 0.000 2.193 186 R HA 0.073 4.418 4.340 0.008 0.000 0.213 186 R C 0.724 177.034 176.300 0.018 0.000 1.055 186 R CA 0.458 56.567 56.100 0.016 0.000 0.995 186 R CB -0.671 29.638 30.300 0.014 0.000 0.893 186 R HN 0.129 nan 8.270 nan 0.000 0.459 187 T N 2.495 117.060 114.554 0.018 0.000 2.829 187 T HA 0.064 4.419 4.350 0.008 0.000 0.293 187 T C 0.307 175.020 174.700 0.022 0.000 0.970 187 T CA 0.198 62.310 62.100 0.020 0.000 1.168 187 T CB 0.462 69.342 68.868 0.019 0.000 0.911 187 T HN 0.139 nan 8.240 nan 0.000 0.535 188 R N 2.098 122.612 120.500 0.024 0.000 2.543 188 R HA 0.391 4.736 4.340 0.008 0.000 0.277 188 R C -0.597 175.719 176.300 0.026 0.000 1.074 188 R CA -0.467 55.649 56.100 0.027 0.000 1.076 188 R CB 0.579 30.898 30.300 0.030 0.000 0.993 188 R HN 0.335 nan 8.270 nan 0.000 0.459 189 V N 5.391 125.321 119.914 0.026 0.000 2.409 189 V HA 0.386 4.511 4.120 0.008 0.000 0.291 189 V C -0.057 176.053 176.094 0.027 0.000 1.020 189 V CA -0.551 61.764 62.300 0.025 0.000 0.848 189 V CB 1.523 33.359 31.823 0.023 0.000 0.990 189 V HN 0.590 nan 8.190 nan 0.000 0.430 190 I N 5.289 125.874 120.570 0.026 0.000 2.406 190 I HA 0.523 4.698 4.170 0.008 0.000 0.290 190 I C -0.595 175.533 176.117 0.018 0.000 0.999 190 I CA -0.830 60.487 61.300 0.027 0.000 1.124 190 I CB 2.128 40.149 38.000 0.034 0.000 1.289 190 I HN 0.259 nan 8.210 nan 0.000 0.441 191 V N 6.637 126.562 119.914 0.018 0.000 2.435 191 V HA 0.472 4.596 4.120 0.008 0.000 0.290 191 V C -0.187 175.913 176.094 0.010 0.000 1.030 191 V CA -0.626 61.680 62.300 0.010 0.000 0.881 191 V CB 1.623 33.450 31.823 0.006 0.000 0.983 191 V HN 0.883 nan 8.190 nan 0.000 0.445 192 N N 3.625 122.329 118.700 0.006 0.000 2.405 192 N HA 0.717 5.462 4.740 0.008 0.000 0.285 192 N C -0.631 174.889 175.510 0.016 0.000 1.262 192 N CA -0.394 52.661 53.050 0.010 0.000 0.773 192 N CB 2.574 41.054 38.487 -0.011 0.000 1.490 192 N HN 0.819 nan 8.380 nan 0.000 0.486 193 C N -2.568 116.747 119.300 0.026 0.000 3.236 193 C HA 0.855 5.320 4.460 0.008 0.000 0.376 193 C C 1.666 176.690 174.990 0.056 0.000 2.349 193 C CA 0.216 59.257 59.018 0.038 0.000 1.235 193 C CB 0.582 28.335 27.740 0.022 0.000 2.754 193 C HN 0.893 nan 8.230 nan 0.000 0.443 194 A N 0.367 123.236 122.820 0.083 0.000 1.935 194 A HA 0.504 4.829 4.320 0.008 0.000 0.214 194 A C 1.539 179.204 177.584 0.136 0.000 1.178 194 A CA 2.056 54.160 52.037 0.111 0.000 0.640 194 A CB -1.156 17.945 19.000 0.169 0.000 0.825 194 A HN 1.630 nan 8.150 nan 0.000 0.447 195 G N -1.424 107.458 108.800 0.136 0.000 2.930 195 G HA2 0.398 4.363 3.960 0.008 0.000 0.209 195 G HA3 0.398 4.363 3.960 0.008 0.000 0.209 195 G C 1.080 176.054 174.900 0.124 0.000 2.018 195 G CA 0.386 45.605 45.100 0.199 0.000 0.751 195 G HN 0.288 nan 8.290 nan 0.000 0.770 196 R N -1.370 119.182 120.500 0.086 0.000 2.428 196 R HA 0.196 4.541 4.340 0.008 0.000 0.193 196 R C 2.630 178.906 176.300 -0.040 0.000 0.852 196 R CA 0.712 56.824 56.100 0.020 0.000 1.055 196 R CB -0.308 29.993 30.300 0.003 0.000 1.343 196 R HN 0.351 nan 8.270 nan 0.000 0.655 197 T N 1.805 116.323 114.554 -0.060 0.000 2.536 197 T HA -0.248 4.107 4.350 0.008 0.000 0.263 197 T C 1.752 176.370 174.700 -0.136 0.000 1.115 197 T CA 1.750 63.782 62.100 -0.113 0.000 1.180 197 T CB -0.268 68.538 68.868 -0.102 0.000 0.864 197 T HN 0.211 nan 8.240 nan 0.000 0.419 198 R N 1.078 121.516 120.500 -0.103 0.000 2.193 198 R HA -0.047 4.298 4.340 0.008 0.000 0.229 198 R C 2.968 179.210 176.300 -0.096 0.000 1.110 198 R CA 1.351 57.386 56.100 -0.108 0.000 0.988 198 R CB -0.313 29.951 30.300 -0.061 0.000 0.871 198 R HN 0.576 nan 8.270 nan 0.000 0.458 199 S N 0.349 116.010 115.700 -0.066 0.000 2.387 199 S HA -0.052 4.422 4.470 0.008 0.000 0.226 199 S C 1.953 176.511 174.600 -0.070 0.000 1.026 199 S CA 0.651 58.824 58.200 -0.045 0.000 0.972 199 S CB -0.195 62.998 63.200 -0.011 0.000 0.814 199 S HN 0.199 nan 8.310 nan 0.000 0.477 200 I N 1.368 121.872 120.570 -0.110 0.000 2.202 200 I HA -0.101 4.074 4.170 0.008 0.000 0.242 200 I C 2.281 178.271 176.117 -0.211 0.000 1.091 200 I CA 0.935 62.149 61.300 -0.143 0.000 1.368 200 I CB -0.326 37.563 38.000 -0.184 0.000 1.058 200 I HN 0.258 nan 8.210 nan 0.000 0.410 201 I N 1.024 121.397 120.570 -0.330 0.000 2.226 201 I HA -0.191 3.984 4.170 0.008 0.000 0.245 201 I C 2.670 178.630 176.117 -0.262 0.000 1.100 201 I CA 1.821 62.782 61.300 -0.565 0.000 1.374 201 I CB -1.977 35.599 38.000 -0.707 0.000 1.057 201 I HN 0.253 nan 8.210 nan 0.000 0.413 202 G N 0.213 108.932 108.800 -0.136 0.000 2.402 202 G HA2 -0.202 3.763 3.960 0.008 0.000 0.216 202 G HA3 -0.202 3.763 3.960 0.008 0.000 0.216 202 G C 1.688 176.606 174.900 0.030 0.000 1.162 202 G CA 1.242 46.329 45.100 -0.022 0.000 0.777 202 G HN 0.319 nan 8.290 nan 0.000 0.539 203 T N 0.412 114.970 114.554 0.006 0.000 2.737 203 T HA -0.123 4.232 4.350 0.008 0.000 0.265 203 T C 2.372 177.117 174.700 0.075 0.000 1.038 203 T CA 1.628 63.747 62.100 0.032 0.000 1.144 203 T CB -0.171 68.706 68.868 0.015 0.000 0.866 203 T HN 0.269 nan 8.240 nan 0.000 0.434 204 Q N 1.025 120.881 119.800 0.093 0.000 2.224 204 Q HA 0.016 4.361 4.340 0.008 0.000 0.203 204 Q C 2.393 178.590 176.000 0.328 0.000 0.970 204 Q CA 1.166 57.087 55.803 0.198 0.000 0.865 204 Q CB -0.500 28.378 28.738 0.233 0.000 0.922 204 Q HN 0.387 nan 8.270 nan 0.000 0.445 205 S N -0.163 115.778 115.700 0.403 0.000 2.356 205 S HA -0.101 4.374 4.470 0.008 0.000 0.223 205 S C 1.718 176.420 174.600 0.169 0.000 1.032 205 S CA 1.208 59.645 58.200 0.394 0.000 1.005 205 S CB -0.294 63.148 63.200 0.403 0.000 0.867 205 S HN 0.399 nan 8.310 nan 0.000 0.449 206 L N 0.902 122.199 121.223 0.124 0.000 2.083 206 L HA -0.080 4.265 4.340 0.008 0.000 0.209 206 L C 2.202 179.108 176.870 0.060 0.000 1.083 206 L CA 0.936 55.818 54.840 0.071 0.000 0.752 206 L CB -0.544 41.547 42.059 0.053 0.000 0.899 206 L HN 0.288 nan 8.230 nan 0.000 0.433 207 L N -0.543 120.724 121.223 0.074 0.000 2.056 207 L HA -0.166 4.179 4.340 0.008 0.000 0.207 207 L C 2.296 179.195 176.870 0.048 0.000 1.078 207 L CA 0.923 55.799 54.840 0.059 0.000 0.749 207 L CB -0.590 41.510 42.059 0.069 0.000 0.901 207 L HN 0.301 nan 8.230 nan 0.000 0.433 208 N N 0.498 119.230 118.700 0.055 0.000 2.166 208 N HA -0.139 4.606 4.740 0.008 0.000 0.186 208 N C 1.702 177.207 175.510 -0.008 0.000 1.019 208 N CA 1.463 54.518 53.050 0.008 0.000 0.856 208 N CB -0.271 38.189 38.487 -0.045 0.000 0.993 208 N HN 0.292 nan 8.380 nan 0.000 0.426 209 A N -0.100 122.723 122.820 0.005 0.000 2.206 209 A HA 0.334 4.659 4.320 0.008 0.000 0.211 209 A C 1.354 178.941 177.584 0.004 0.000 1.158 209 A CA 0.791 52.826 52.037 -0.003 0.000 0.761 209 A CB -0.575 18.427 19.000 0.005 0.000 0.801 209 A HN 0.310 nan 8.150 nan 0.000 0.473 210 G N 0.416 109.224 108.800 0.013 0.000 2.272 210 G HA2 -0.246 3.719 3.960 0.008 0.000 0.280 210 G HA3 -0.246 3.719 3.960 0.008 0.000 0.280 210 G C 0.176 175.085 174.900 0.014 0.000 1.067 210 G CA 0.272 45.380 45.100 0.014 0.000 0.902 210 G HN 1.380 nan 8.290 nan 0.000 0.500 211 I N -2.190 118.391 120.570 0.017 0.000 2.779 211 I HA 0.468 4.642 4.170 0.008 0.000 0.285 211 I C 0.057 176.184 176.117 0.017 0.000 1.134 211 I CA -1.790 59.519 61.300 0.015 0.000 1.398 211 I CB 0.728 38.739 38.000 0.017 0.000 1.404 211 I HN -0.021 nan 8.210 nan 0.000 0.587 212 P HA -0.042 nan 4.420 nan 0.000 0.229 212 P C -0.162 177.148 177.300 0.017 0.000 1.160 212 P CA 0.652 63.761 63.100 0.015 0.000 0.777 212 P CB -0.019 31.689 31.700 0.012 0.000 0.814 213 N N 2.388 121.099 118.700 0.018 0.000 2.508 213 N HA 0.118 4.863 4.740 0.008 0.000 0.264 213 N C -2.212 173.312 175.510 0.023 0.000 1.216 213 N CA -0.976 52.086 53.050 0.020 0.000 0.943 213 N CB 0.129 38.627 38.487 0.020 0.000 1.113 213 N HN 0.206 nan 8.380 nan 0.000 0.447 214 P HA 0.128 nan 4.420 nan 0.000 0.276 214 P C -0.608 176.709 177.300 0.028 0.000 1.243 214 P CA -0.088 63.028 63.100 0.025 0.000 0.768 214 P CB 0.873 32.588 31.700 0.024 0.000 0.856 215 V N 2.577 122.510 119.914 0.031 0.000 2.715 215 V HA 0.893 5.018 4.120 0.008 0.000 0.310 215 V C 0.153 176.268 176.094 0.034 0.000 1.054 215 V CA -0.796 61.523 62.300 0.032 0.000 0.928 215 V CB 1.692 33.536 31.823 0.035 0.000 1.007 215 V HN 0.859 nan 8.190 nan 0.000 0.437 216 A N 2.057 124.898 122.820 0.034 0.000 2.605 216 A HA 0.918 5.243 4.320 0.008 0.000 0.294 216 A C -0.657 176.947 177.584 0.033 0.000 1.062 216 A CA -0.134 51.924 52.037 0.035 0.000 0.682 216 A CB 1.434 20.458 19.000 0.039 0.000 1.278 216 A HN 1.651 nan 8.150 nan 0.000 0.410 217 A N 0.440 123.278 122.820 0.030 0.000 2.304 217 A HA 0.628 4.953 4.320 0.008 0.000 0.301 217 A C -0.221 177.390 177.584 0.046 0.000 1.132 217 A CA -0.431 51.623 52.037 0.027 0.000 0.819 217 A CB 0.420 19.427 19.000 0.012 0.000 1.094 217 A HN 1.944 nan 8.150 nan 0.000 0.492 218 L N 2.258 123.513 121.223 0.054 0.000 2.385 218 L HA 0.269 4.614 4.340 0.008 0.000 0.281 218 L C 0.841 177.765 176.870 0.089 0.000 1.106 218 L CA 0.076 54.970 54.840 0.090 0.000 0.856 218 L CB 0.016 42.132 42.059 0.095 0.000 1.186 218 L HN 0.719 nan 8.230 nan 0.000 0.453 219 R N 5.173 125.728 120.500 0.090 0.000 2.446 219 R HA 0.009 4.354 4.340 0.008 0.000 0.314 219 R C 0.114 176.472 176.300 0.098 0.000 1.003 219 R CA 0.442 56.589 56.100 0.078 0.000 1.018 219 R CB -0.127 30.212 30.300 0.066 0.000 0.945 219 R HN 0.903 nan 8.270 nan 0.000 0.419 220 N N 2.207 120.962 118.700 0.092 0.000 2.878 220 N HA -0.185 4.559 4.740 0.008 0.000 0.247 220 N C 0.645 176.237 175.510 0.137 0.000 1.021 220 N CA 1.110 54.229 53.050 0.115 0.000 0.873 220 N CB -1.715 36.839 38.487 0.112 0.000 1.128 220 N HN 0.979 nan 8.380 nan 0.000 0.571 221 G N 0.231 109.107 108.800 0.126 0.000 2.602 221 G HA2 -0.460 3.504 3.960 0.008 0.000 0.306 221 G HA3 -0.460 3.504 3.960 0.008 0.000 0.306 221 G C 1.218 176.211 174.900 0.156 0.000 1.301 221 G CA 2.828 47.999 45.100 0.119 0.000 0.974 221 G HN 0.928 nan 8.290 nan 0.000 0.547 222 T N -1.128 113.488 114.554 0.104 0.000 2.881 222 T HA 0.052 4.407 4.350 0.008 0.000 0.270 222 T C 2.455 177.260 174.700 0.175 0.000 1.068 222 T CA 1.892 64.058 62.100 0.111 0.000 1.131 222 T CB -0.177 68.707 68.868 0.028 0.000 0.871 222 T HN 0.525 nan 8.240 nan 0.000 0.479 223 I N 1.696 122.359 120.570 0.155 0.000 2.179 223 I HA -0.021 4.154 4.170 0.008 0.000 0.242 223 I C 3.049 179.260 176.117 0.158 0.000 1.088 223 I CA 1.438 62.828 61.300 0.150 0.000 1.357 223 I CB -0.794 37.305 38.000 0.166 0.000 1.051 223 I HN 0.449 nan 8.210 nan 0.000 0.409 224 G N -0.136 108.768 108.800 0.172 0.000 2.422 224 G HA2 -0.258 3.707 3.960 0.008 0.000 0.218 224 G HA3 -0.258 3.707 3.960 0.008 0.000 0.218 224 G C 1.548 176.547 174.900 0.166 0.000 1.140 224 G CA 0.017 45.206 45.100 0.149 0.000 0.775 224 G HN 0.474 nan 8.290 nan 0.000 0.545 225 W N 1.467 122.781 121.300 0.024 0.000 2.358 225 W HA -0.120 4.545 4.660 0.008 0.000 0.303 225 W C 2.295 178.821 176.519 0.011 0.000 1.208 225 W CA 1.784 59.137 57.345 0.012 0.000 1.274 225 W CB -0.377 29.085 29.460 0.004 0.000 1.138 225 W HN 0.212 nan 8.180 nan 0.000 0.515 226 T N 1.711 116.396 114.554 0.219 0.000 2.737 226 T HA -0.169 4.186 4.350 0.008 0.000 0.265 226 T C 1.956 176.677 174.700 0.036 0.000 1.038 226 T CA 1.580 63.750 62.100 0.116 0.000 1.144 226 T CB -0.658 68.282 68.868 0.120 0.000 0.866 226 T HN 0.079 nan 8.240 nan 0.000 0.434 227 L N 0.801 122.050 121.223 0.043 0.000 2.191 227 L HA -0.031 4.314 4.340 0.008 0.000 0.212 227 L C 2.746 179.597 176.870 -0.031 0.000 1.103 227 L CA 0.914 55.763 54.840 0.014 0.000 0.769 227 L CB -0.551 41.528 42.059 0.032 0.000 0.908 227 L HN 0.233 nan 8.230 nan 0.000 0.438 228 A N -0.400 122.375 122.820 -0.075 0.000 2.238 228 A HA 0.263 4.588 4.320 0.008 0.000 0.208 228 A C 1.760 179.243 177.584 -0.168 0.000 1.177 228 A CA 0.725 52.675 52.037 -0.144 0.000 0.804 228 A CB -0.428 18.429 19.000 -0.239 0.000 0.823 228 A HN 0.512 nan 8.150 nan 0.000 0.482 229 G N -1.049 107.675 108.800 -0.128 0.000 2.147 229 G HA2 -0.258 3.707 3.960 0.008 0.000 0.244 229 G HA3 -0.258 3.707 3.960 0.008 0.000 0.244 229 G C 0.048 174.858 174.900 -0.150 0.000 1.005 229 G CA 0.495 45.533 45.100 -0.104 0.000 0.713 229 G HN 0.644 nan 8.290 nan 0.000 0.515 230 Q N -1.037 118.594 119.800 -0.282 0.000 2.199 230 Q HA 0.625 4.970 4.340 0.008 0.000 0.232 230 Q C 0.151 176.140 176.000 -0.018 0.000 0.969 230 Q CA -0.688 54.891 55.803 -0.373 0.000 0.925 230 Q CB 0.770 28.801 28.738 -1.178 0.000 1.198 230 Q HN 0.244 nan 8.270 nan 0.000 0.494 231 Q N 1.018 120.941 119.800 0.206 0.000 2.278 231 Q HA 0.389 4.734 4.340 0.008 0.000 0.257 231 Q C -1.601 174.627 176.000 0.379 0.000 0.928 231 Q CA -0.068 55.904 55.803 0.282 0.000 0.932 231 Q CB 0.730 29.565 28.738 0.163 0.000 1.221 231 Q HN 0.495 nan 8.270 nan 0.000 0.434 232 L N 2.628 123.950 121.223 0.165 0.000 2.399 232 L HA 0.491 4.836 4.340 0.008 0.000 0.265 232 L C 0.403 177.052 176.870 -0.368 0.000 1.089 232 L CA -0.627 54.129 54.840 -0.140 0.000 0.802 232 L CB 1.336 43.286 42.059 -0.181 0.000 1.180 232 L HN 0.663 nan 8.230 nan 0.000 0.454 233 E N 0.456 120.346 120.200 -0.516 0.000 2.243 233 E HA 0.502 4.857 4.350 0.008 0.000 0.260 233 E C -1.251 174.850 176.600 -0.832 0.000 0.985 233 E CA -0.819 55.290 56.400 -0.486 0.000 0.858 233 E CB 1.704 31.234 29.700 -0.283 0.000 1.210 233 E HN 0.457 nan 8.360 nan 0.000 0.411 234 H N -1.069 117.908 119.070 -0.155 0.000 2.961 234 H HA 0.267 4.828 4.556 0.009 0.000 0.371 234 H C 0.350 175.570 175.328 -0.181 0.000 1.190 234 H CA -0.181 55.758 56.048 -0.180 0.000 1.138 234 H CB 2.004 31.694 29.762 -0.121 0.000 1.816 234 H HN 0.834 nan 8.280 nan 0.000 0.551 235 G N 1.997 110.738 108.800 -0.098 0.000 2.179 235 G HA2 -0.260 3.705 3.960 0.008 0.000 0.257 235 G HA3 -0.260 3.705 3.960 0.008 0.000 0.257 235 G C 0.237 175.062 174.900 -0.125 0.000 1.010 235 G CA 0.045 45.081 45.100 -0.106 0.000 0.736 235 G HN 0.445 nan 8.290 nan 0.000 0.513 236 Q N -0.330 119.321 119.800 -0.248 0.000 2.492 236 Q HA 0.485 4.830 4.340 0.008 0.000 0.238 236 Q C 1.466 177.508 176.000 0.069 0.000 1.045 236 Q CA 1.027 56.741 55.803 -0.148 0.000 0.934 236 Q CB 0.847 29.414 28.738 -0.285 0.000 1.276 236 Q HN 0.758 nan 8.270 nan 0.000 0.521 237 T N -3.180 111.532 114.554 0.264 0.000 3.262 237 T HA 0.260 4.615 4.350 0.008 0.000 0.300 237 T C 0.182 175.093 174.700 0.351 0.000 0.959 237 T CA -0.467 61.888 62.100 0.424 0.000 0.936 237 T CB 0.364 69.391 68.868 0.265 0.000 1.169 237 T HN 0.331 nan 8.240 nan 0.000 0.532 238 R N 1.673 122.365 120.500 0.321 0.000 2.489 238 R HA 0.599 4.944 4.340 0.008 0.000 0.287 238 R C 0.028 176.332 176.300 0.007 0.000 1.053 238 R CA -0.141 56.041 56.100 0.138 0.000 1.036 238 R CB 0.537 30.920 30.300 0.139 0.000 0.966 238 R HN 0.402 nan 8.270 nan 0.000 0.432 239 R N 2.542 122.992 120.500 -0.082 0.000 2.764 239 R HA 0.230 4.575 4.340 0.008 0.000 0.270 239 R C -0.814 175.352 176.300 -0.223 0.000 1.014 239 R CA -0.833 55.130 56.100 -0.228 0.000 0.904 239 R CB 0.898 30.938 30.300 -0.432 0.000 1.236 239 R HN 0.444 nan 8.270 nan 0.000 0.466 240 F N 0.480 120.377 119.950 -0.088 0.000 2.535 240 F HA 0.637 5.168 4.527 0.008 0.000 0.332 240 F C 0.422 176.184 175.800 -0.063 0.000 1.208 240 F CA 0.296 58.257 58.000 -0.065 0.000 1.330 240 F CB 0.117 39.081 39.000 -0.061 0.000 1.167 240 F HN 0.496 nan 8.300 nan 0.000 0.597 241 G N -0.650 108.263 108.800 0.189 0.000 3.042 241 G HA2 0.641 4.606 3.960 0.008 0.000 0.278 241 G HA3 0.641 4.606 3.960 0.008 0.000 0.278 241 G C -1.352 173.662 174.900 0.190 0.000 1.371 241 G CA -0.829 44.318 45.100 0.079 0.000 1.009 241 G HN 1.004 nan 8.290 nan 0.000 0.523 242 A N -0.660 122.214 122.820 0.090 0.000 2.425 242 A HA 0.564 4.889 4.320 0.008 0.000 0.242 242 A C 0.423 178.041 177.584 0.057 0.000 1.077 242 A CA -0.044 52.038 52.037 0.076 0.000 0.781 242 A CB -0.207 18.812 19.000 0.032 0.000 1.020 242 A HN 1.213 nan 8.150 nan 0.000 0.494 243 I N -0.606 119.987 120.570 0.038 0.000 2.982 243 I HA 0.732 4.907 4.170 0.008 0.000 0.312 243 I C 0.342 176.464 176.117 0.008 0.000 1.041 243 I CA -0.667 60.645 61.300 0.021 0.000 1.053 243 I CB 2.050 40.055 38.000 0.008 0.000 1.248 243 I HN 0.634 nan 8.210 nan 0.000 0.471 244 S N 1.872 117.575 115.700 0.004 0.000 2.632 244 S HA 0.234 4.709 4.470 0.008 0.000 0.267 244 S C 0.682 175.280 174.600 -0.004 0.000 1.276 244 S CA -0.527 57.673 58.200 0.000 0.000 0.998 244 S CB 1.507 64.708 63.200 0.001 0.000 0.953 244 S HN 0.755 nan 8.310 nan 0.000 0.547 245 Q N 0.705 120.502 119.800 -0.005 0.000 2.167 245 Q HA -0.122 4.223 4.340 0.008 0.000 0.202 245 Q C 1.623 177.620 176.000 -0.006 0.000 0.970 245 Q CA 1.412 57.210 55.803 -0.007 0.000 0.855 245 Q CB -0.608 28.125 28.738 -0.007 0.000 0.911 245 Q HN 0.884 nan 8.270 nan 0.000 0.438 246 D N -0.082 120.315 120.400 -0.004 0.000 2.084 246 D HA -0.127 4.518 4.640 0.008 0.000 0.194 246 D C 1.383 177.681 176.300 -0.004 0.000 0.990 246 D CA 1.633 55.631 54.000 -0.003 0.000 0.826 246 D CB 0.362 41.161 40.800 -0.002 0.000 0.971 246 D HN 0.183 nan 8.370 nan 0.000 0.453 247 T N 0.848 115.400 114.554 -0.004 0.000 2.684 247 T HA -0.195 4.160 4.350 0.008 0.000 0.267 247 T C 2.020 176.714 174.700 -0.010 0.000 1.036 247 T CA 1.202 63.299 62.100 -0.005 0.000 1.148 247 T CB -0.190 68.676 68.868 -0.004 0.000 0.863 247 T HN 0.195 nan 8.240 nan 0.000 0.436 248 R N 1.132 121.625 120.500 -0.012 0.000 2.082 248 R HA -0.138 4.207 4.340 0.008 0.000 0.234 248 R C 2.527 178.819 176.300 -0.013 0.000 1.136 248 R CA 1.920 58.010 56.100 -0.016 0.000 0.935 248 R CB -0.283 30.006 30.300 -0.017 0.000 0.842 248 R HN 0.313 nan 8.270 nan 0.000 0.430 249 K N -0.212 120.182 120.400 -0.010 0.000 2.074 249 K HA -0.181 4.144 4.320 0.008 0.000 0.209 249 K C 1.930 178.525 176.600 -0.008 0.000 1.048 249 K CA 1.709 57.991 56.287 -0.008 0.000 0.926 249 K CB -0.199 32.297 32.500 -0.006 0.000 0.713 249 K HN 0.293 nan 8.250 nan 0.000 0.444 250 A N 0.890 123.706 122.820 -0.007 0.000 1.873 250 A HA -0.079 4.246 4.320 0.008 0.000 0.215 250 A C 2.340 179.919 177.584 -0.008 0.000 1.186 250 A CA 1.863 53.896 52.037 -0.006 0.000 0.616 250 A CB -0.859 18.138 19.000 -0.004 0.000 0.823 250 A HN 0.493 nan 8.150 nan 0.000 0.442 251 A N -0.176 122.638 122.820 -0.011 0.000 1.933 251 A HA 0.166 4.491 4.320 0.008 0.000 0.218 251 A C 2.487 180.062 177.584 -0.015 0.000 1.175 251 A CA 2.059 54.088 52.037 -0.013 0.000 0.628 251 A CB -0.985 18.004 19.000 -0.018 0.000 0.814 251 A HN 1.063 nan 8.150 nan 0.000 0.444 252 A N -0.731 122.080 122.820 -0.015 0.000 1.902 252 A HA -0.238 4.087 4.320 0.008 0.000 0.217 252 A C 2.190 179.766 177.584 -0.014 0.000 1.181 252 A CA 1.889 53.918 52.037 -0.014 0.000 0.623 252 A CB -0.588 18.405 19.000 -0.011 0.000 0.818 252 A HN 0.671 nan 8.150 nan 0.000 0.443 253 Q N -0.855 118.938 119.800 -0.011 0.000 2.084 253 Q HA -0.195 4.150 4.340 0.008 0.000 0.202 253 Q C 2.257 178.249 176.000 -0.013 0.000 0.978 253 Q CA 1.374 57.171 55.803 -0.011 0.000 0.844 253 Q CB -0.062 28.671 28.738 -0.008 0.000 0.898 253 Q HN 0.509 nan 8.270 nan 0.000 0.426 254 R N -0.082 120.410 120.500 -0.014 0.000 2.075 254 R HA -0.068 4.277 4.340 0.008 0.000 0.232 254 R C 2.198 178.482 176.300 -0.026 0.000 1.126 254 R CA 1.219 57.309 56.100 -0.016 0.000 0.963 254 R CB -0.897 29.395 30.300 -0.012 0.000 0.858 254 R HN 0.373 nan 8.270 nan 0.000 0.435 255 A N 1.441 124.244 122.820 -0.027 0.000 1.902 255 A HA -0.198 4.127 4.320 0.008 0.000 0.217 255 A C 2.269 179.828 177.584 -0.041 0.000 1.181 255 A CA 1.684 53.698 52.037 -0.038 0.000 0.623 255 A CB -0.394 18.587 19.000 -0.031 0.000 0.818 255 A HN 0.136 nan 8.150 nan 0.000 0.443 256 R N 0.385 120.868 120.500 -0.028 0.000 2.096 256 R HA -0.037 4.308 4.340 0.008 0.000 0.235 256 R C 2.042 178.326 176.300 -0.026 0.000 1.127 256 R CA 1.944 58.029 56.100 -0.024 0.000 0.968 256 R CB -0.958 29.333 30.300 -0.016 0.000 0.861 256 R HN 0.398 nan 8.270 nan 0.000 0.440 257 A N -0.387 122.418 122.820 -0.026 0.000 1.930 257 A HA -0.057 4.267 4.320 0.008 0.000 0.217 257 A C 2.308 179.871 177.584 -0.035 0.000 1.175 257 A CA 1.609 53.632 52.037 -0.024 0.000 0.627 257 A CB -0.582 18.407 19.000 -0.019 0.000 0.815 257 A HN 0.175 nan 8.150 nan 0.000 0.443 258 V N -0.129 119.752 119.914 -0.056 0.000 2.358 258 V HA -0.232 3.893 4.120 0.008 0.000 0.246 258 V C 3.048 179.085 176.094 -0.095 0.000 1.047 258 V CA 1.889 64.134 62.300 -0.092 0.000 1.035 258 V CB -1.244 30.496 31.823 -0.139 0.000 0.658 258 V HN 0.606 nan 8.190 nan 0.000 0.452 259 A N -0.036 122.737 122.820 -0.079 0.000 1.902 259 A HA -0.248 4.077 4.320 0.008 0.000 0.217 259 A C 2.007 179.580 177.584 -0.019 0.000 1.181 259 A CA 2.009 54.013 52.037 -0.056 0.000 0.623 259 A CB -0.639 18.337 19.000 -0.040 0.000 0.818 259 A HN 0.535 nan 8.150 nan 0.000 0.443 260 D N -0.746 119.645 120.400 -0.014 0.000 2.117 260 D HA -0.137 4.508 4.640 0.008 0.000 0.197 260 D C 2.085 178.390 176.300 0.008 0.000 0.987 260 D CA 0.822 54.823 54.000 0.001 0.000 0.829 260 D CB -0.330 40.468 40.800 -0.003 0.000 0.961 260 D HN 0.192 nan 8.370 nan 0.000 0.460 261 R N 0.986 121.485 120.500 -0.001 0.000 2.096 261 R HA -0.014 4.330 4.340 0.008 0.000 0.235 261 R C 1.724 178.053 176.300 0.047 0.000 1.127 261 R CA 1.195 57.301 56.100 0.011 0.000 0.968 261 R CB -0.481 29.816 30.300 -0.005 0.000 0.861 261 R HN 0.125 nan 8.270 nan 0.000 0.440 262 A N -0.992 121.859 122.820 0.052 0.000 2.238 262 A HA 0.211 4.536 4.320 0.008 0.000 0.208 262 A C 1.225 178.922 177.584 0.188 0.000 1.177 262 A CA 0.992 53.120 52.037 0.152 0.000 0.804 262 A CB -0.086 18.945 19.000 0.052 0.000 0.823 262 A HN 0.482 nan 8.150 nan 0.000 0.482 263 G N -1.323 107.537 108.800 0.099 0.000 2.132 263 G HA2 -0.185 3.780 3.960 0.008 0.000 0.234 263 G HA3 -0.185 3.780 3.960 0.008 0.000 0.234 263 G C 0.152 175.113 174.900 0.101 0.000 0.989 263 G CA 0.025 45.180 45.100 0.091 0.000 0.676 263 G HN 0.744 nan 8.290 nan 0.000 0.522 264 V N 1.017 120.980 119.914 0.082 0.000 2.599 264 V HA 0.223 4.348 4.120 0.008 0.000 0.300 264 V C 1.056 177.195 176.094 0.074 0.000 1.034 264 V CA 0.369 62.717 62.300 0.080 0.000 1.115 264 V CB 1.009 32.857 31.823 0.042 0.000 0.934 264 V HN 0.478 nan 8.190 nan 0.000 0.485 265 E N 4.509 124.771 120.200 0.104 0.000 2.345 265 E HA 0.454 4.809 4.350 0.008 0.000 0.259 265 E C -0.491 176.124 176.600 0.024 0.000 1.117 265 E CA -0.824 55.629 56.400 0.088 0.000 0.913 265 E CB 0.795 30.601 29.700 0.176 0.000 1.057 265 E HN 0.449 nan 8.360 nan 0.000 0.432 266 R N 1.142 121.630 120.500 -0.020 0.000 2.778 266 R HA 0.643 4.988 4.340 0.008 0.000 0.277 266 R C -0.551 175.659 176.300 -0.150 0.000 0.977 266 R CA -0.737 55.323 56.100 -0.066 0.000 0.950 266 R CB 0.807 31.080 30.300 -0.045 0.000 1.165 266 R HN 0.455 nan 8.270 nan 0.000 0.474 267 L N 0.918 122.031 121.223 -0.183 0.000 2.518 267 L HA 0.386 4.731 4.340 0.008 0.000 0.257 267 L C -0.938 175.822 176.870 -0.183 0.000 0.980 267 L CA -1.034 53.646 54.840 -0.266 0.000 0.837 267 L CB 2.648 44.427 42.059 -0.466 0.000 1.410 267 L HN 0.674 nan 8.230 nan 0.000 0.410 268 D N 0.162 120.458 120.400 -0.174 0.000 2.467 268 D HA 0.420 5.065 4.640 0.008 0.000 0.245 268 D C 0.888 177.109 176.300 -0.132 0.000 1.038 268 D CA -0.808 53.120 54.000 -0.121 0.000 1.038 268 D CB 1.091 41.838 40.800 -0.089 0.000 1.278 268 D HN 0.348 nan 8.370 nan 0.000 0.564 269 L N -0.105 121.059 121.223 -0.099 0.000 2.051 269 L HA -0.253 4.092 4.340 0.008 0.000 0.214 269 L C 2.422 179.239 176.870 -0.089 0.000 1.076 269 L CA 2.089 56.875 54.840 -0.091 0.000 0.758 269 L CB -0.676 41.339 42.059 -0.072 0.000 0.890 269 L HN 0.640 nan 8.230 nan 0.000 0.433 270 A N 0.089 122.860 122.820 -0.082 0.000 1.933 270 A HA -0.110 4.214 4.320 0.008 0.000 0.218 270 A C 2.409 179.933 177.584 -0.100 0.000 1.175 270 A CA 1.672 53.666 52.037 -0.072 0.000 0.628 270 A CB -1.163 17.803 19.000 -0.057 0.000 0.814 270 A HN 0.459 nan 8.150 nan 0.000 0.444 271 G N -0.233 108.473 108.800 -0.156 0.000 2.408 271 G HA2 -0.106 3.859 3.960 0.008 0.000 0.217 271 G HA3 -0.106 3.859 3.960 0.008 0.000 0.217 271 G C 1.472 176.167 174.900 -0.341 0.000 1.150 271 G CA 1.173 46.117 45.100 -0.259 0.000 0.776 271 G HN 0.494 nan 8.290 nan 0.000 0.542 272 L N 1.490 122.555 121.223 -0.264 0.000 1.994 272 L HA 0.168 4.512 4.340 0.008 0.000 0.208 272 L C 3.041 179.891 176.870 -0.034 0.000 1.071 272 L CA 2.267 57.002 54.840 -0.176 0.000 0.745 272 L CB -0.912 41.079 42.059 -0.113 0.000 0.892 272 L HN 0.217 nan 8.230 nan 0.000 0.431 273 A N -0.866 121.932 122.820 -0.037 0.000 1.917 273 A HA -0.319 4.006 4.320 0.008 0.000 0.219 273 A C 2.276 179.876 177.584 0.026 0.000 1.182 273 A CA 2.005 54.042 52.037 0.000 0.000 0.633 273 A CB -0.834 18.158 19.000 -0.014 0.000 0.819 273 A HN 0.639 nan 8.150 nan 0.000 0.448 274 Q N -1.127 118.686 119.800 0.021 0.000 2.050 274 Q HA -0.191 4.154 4.340 0.008 0.000 0.202 274 Q C 1.734 177.843 176.000 0.182 0.000 0.980 274 Q CA 2.073 57.917 55.803 0.068 0.000 0.840 274 Q CB -0.524 28.250 28.738 0.058 0.000 0.898 274 Q HN 0.708 nan 8.270 nan 0.000 0.424 275 W N 1.070 122.344 121.300 -0.043 0.000 2.338 275 W HA -0.123 4.542 4.660 0.008 0.000 0.304 275 W C 2.148 178.628 176.519 -0.065 0.000 1.212 275 W CA 1.460 58.778 57.345 -0.045 0.000 1.264 275 W CB -0.817 28.629 29.460 -0.023 0.000 1.142 275 W HN 0.413 nan 8.180 nan 0.000 0.512 276 Q N -1.071 118.838 119.800 0.182 0.000 2.364 276 Q HA -0.171 4.174 4.340 0.008 0.000 0.207 276 Q C 1.299 177.284 176.000 -0.026 0.000 0.970 276 Q CA 1.464 57.311 55.803 0.075 0.000 0.888 276 Q CB -0.344 28.439 28.738 0.075 0.000 0.951 276 Q HN 0.210 nan 8.270 nan 0.000 0.469 277 D N 0.782 121.145 120.400 -0.062 0.000 2.348 277 D HA -0.050 4.595 4.640 0.008 0.000 0.211 277 D C -0.332 175.697 176.300 -0.451 0.000 0.998 277 D CA 0.222 54.090 54.000 -0.219 0.000 0.873 277 D CB 0.373 41.113 40.800 -0.100 0.000 0.925 277 D HN 0.145 nan 8.370 nan 0.000 0.524 278 E N 0.429 120.476 120.200 -0.255 0.000 1.941 278 E HA 0.054 4.409 4.350 0.008 0.000 0.275 278 E C 0.299 176.772 176.600 -0.212 0.000 1.113 278 E CA -0.257 56.007 56.400 -0.225 0.000 0.878 278 E CB 0.519 30.152 29.700 -0.111 0.000 1.070 278 E HN 0.418 nan 8.360 nan 0.000 0.399 279 H N 2.019 121.081 119.070 -0.014 0.000 2.563 279 H HA -0.080 4.481 4.556 0.008 0.000 0.272 279 H C 1.020 176.330 175.328 -0.029 0.000 1.005 279 H CA 0.719 56.754 56.048 -0.021 0.000 1.171 279 H CB 0.125 29.877 29.762 -0.017 0.000 1.351 279 H HN 0.568 nan 8.280 nan 0.000 0.602 280 D N -0.131 120.292 120.400 0.039 0.000 2.339 280 D HA -0.020 4.625 4.640 0.008 0.000 0.217 280 D C 0.611 176.893 176.300 -0.030 0.000 1.050 280 D CA 0.075 54.081 54.000 0.009 0.000 0.856 280 D CB 0.547 41.342 40.800 -0.007 0.000 0.922 280 D HN 0.002 nan 8.370 nan 0.000 0.518 281 R N -0.200 120.265 120.500 -0.059 0.000 2.807 281 R HA 0.470 4.815 4.340 0.008 0.000 0.276 281 R C -0.723 175.516 176.300 -0.103 0.000 0.979 281 R CA -0.561 55.477 56.100 -0.104 0.000 0.928 281 R CB 1.481 31.662 30.300 -0.198 0.000 1.191 281 R HN -0.126 nan 8.270 nan 0.000 0.471 282 T N 1.535 116.010 114.554 -0.130 0.000 2.744 282 T HA 0.391 4.746 4.350 0.008 0.000 0.291 282 T C -0.352 174.182 174.700 -0.276 0.000 0.957 282 T CA -0.083 61.891 62.100 -0.211 0.000 1.002 282 T CB 0.921 69.641 68.868 -0.246 0.000 0.919 282 T HN 0.298 nan 8.240 nan 0.000 0.468 283 T N 4.093 118.493 114.554 -0.256 0.000 2.833 283 T HA 0.390 4.745 4.350 0.008 0.000 0.297 283 T C -1.004 173.624 174.700 -0.120 0.000 1.015 283 T CA -0.510 61.520 62.100 -0.118 0.000 0.963 283 T CB 0.221 69.128 68.868 0.064 0.000 0.955 283 T HN 0.381 nan 8.240 nan 0.000 0.449 284 Y N 2.552 122.892 120.300 0.066 0.000 2.341 284 Y HA 0.517 5.072 4.550 0.008 0.000 0.340 284 Y C 0.046 175.965 175.900 0.031 0.000 0.997 284 Y CA -1.376 56.740 58.100 0.027 0.000 1.149 284 Y CB 0.812 39.246 38.460 -0.044 0.000 1.171 284 Y HN 0.424 nan 8.280 nan 0.000 0.494 285 L N 6.106 127.435 121.223 0.177 0.000 2.255 285 L HA 0.522 4.867 4.340 0.008 0.000 0.289 285 L C -1.325 175.577 176.870 0.053 0.000 1.046 285 L CA -0.357 54.549 54.840 0.111 0.000 0.816 285 L CB -0.069 42.052 42.059 0.103 0.000 1.197 285 L HN 0.514 nan 8.230 nan 0.000 0.427 286 L N 4.237 125.471 121.223 0.018 0.000 2.362 286 L HA 0.506 4.851 4.340 0.008 0.000 0.275 286 L C -0.586 176.273 176.870 -0.018 0.000 0.998 286 L CA -0.737 54.070 54.840 -0.055 0.000 0.820 286 L CB 1.901 43.892 42.059 -0.113 0.000 1.270 286 L HN 0.448 nan 8.230 nan 0.000 0.415 287 D N 2.238 122.628 120.400 -0.017 0.000 2.359 287 D HA 0.182 4.826 4.640 0.008 0.000 0.230 287 D C 0.643 176.947 176.300 0.007 0.000 1.118 287 D CA -0.306 53.742 54.000 0.079 0.000 0.844 287 D CB 2.191 43.150 40.800 0.265 0.000 1.059 287 D HN 0.385 nan 8.370 nan 0.000 0.493 288 V N 2.067 121.995 119.914 0.023 0.000 3.646 288 V HA 0.259 4.384 4.120 0.008 0.000 0.277 288 V C 1.014 177.113 176.094 0.009 0.000 1.274 288 V CA -0.109 62.186 62.300 -0.008 0.000 1.164 288 V CB -0.683 31.134 31.823 -0.010 0.000 0.926 288 V HN 0.252 nan 8.190 nan 0.000 0.442 289 R N 1.457 121.989 120.500 0.053 0.000 2.668 289 R HA 0.422 4.767 4.340 0.008 0.000 0.268 289 R C 0.889 177.222 176.300 0.057 0.000 1.232 289 R CA 0.344 56.476 56.100 0.053 0.000 1.166 289 R CB -0.024 30.328 30.300 0.087 0.000 1.179 289 R HN 0.526 nan 8.270 nan 0.000 0.606 290 T N -1.644 112.953 114.554 0.073 0.000 2.856 290 T HA 0.064 4.419 4.350 0.008 0.000 0.306 290 T C -1.890 172.875 174.700 0.108 0.000 1.062 290 T CA -1.380 60.775 62.100 0.092 0.000 1.083 290 T CB 0.760 69.707 68.868 0.132 0.000 0.984 290 T HN 0.234 nan 8.240 nan 0.000 0.542 291 P HA -0.062 nan 4.420 nan 0.000 0.216 291 P C 1.336 178.741 177.300 0.175 0.000 1.150 291 P CA 0.982 64.149 63.100 0.113 0.000 0.837 291 P CB 0.053 31.800 31.700 0.079 0.000 0.786 292 E N -0.154 120.119 120.200 0.121 0.000 2.051 292 E HA -0.195 4.160 4.350 0.008 0.000 0.192 292 E C 1.943 178.613 176.600 0.117 0.000 0.991 292 E CA 1.311 57.772 56.400 0.102 0.000 0.799 292 E CB -0.788 28.941 29.700 0.049 0.000 0.748 292 E HN 0.407 nan 8.360 nan 0.000 0.449 293 E N -0.545 119.725 120.200 0.117 0.000 2.077 293 E HA -0.217 4.138 4.350 0.008 0.000 0.193 293 E C 1.902 178.598 176.600 0.160 0.000 0.989 293 E CA 1.060 57.517 56.400 0.095 0.000 0.800 293 E CB -0.268 29.473 29.700 0.068 0.000 0.746 293 E HN 0.308 nan 8.360 nan 0.000 0.452 294 Y N 2.021 122.389 120.300 0.113 0.000 2.097 294 Y HA -0.265 4.289 4.550 0.008 0.000 0.282 294 Y C 1.948 178.031 175.900 0.304 0.000 1.152 294 Y CA 1.987 60.200 58.100 0.188 0.000 1.136 294 Y CB -0.036 38.475 38.460 0.085 0.000 0.975 294 Y HN -0.024 nan 8.280 nan 0.000 0.498 295 E N -0.243 120.142 120.200 0.309 0.000 2.204 295 E HA -0.175 4.180 4.350 0.008 0.000 0.195 295 E C 2.219 178.879 176.600 0.100 0.000 0.990 295 E CA 0.707 57.239 56.400 0.220 0.000 0.821 295 E CB -0.268 29.570 29.700 0.230 0.000 0.750 295 E HN 0.602 nan 8.360 nan 0.000 0.477 296 A N 0.899 123.766 122.820 0.079 0.000 2.015 296 A HA 0.120 4.445 4.320 0.008 0.000 0.219 296 A C 1.138 178.718 177.584 -0.007 0.000 1.163 296 A CA 1.234 53.288 52.037 0.028 0.000 0.646 296 A CB 0.153 19.164 19.000 0.018 0.000 0.806 296 A HN 0.260 nan 8.150 nan 0.000 0.448 297 G N -1.241 107.553 108.800 -0.009 0.000 2.219 297 G HA2 0.522 4.487 3.960 0.008 0.000 0.304 297 G HA3 0.522 4.487 3.960 0.008 0.000 0.304 297 G C -1.106 173.849 174.900 0.091 0.000 1.712 297 G CA -0.171 44.904 45.100 -0.041 0.000 0.905 297 G HN 1.091 nan 8.290 nan 0.000 0.706 298 H N -0.157 118.910 119.070 -0.006 0.000 3.008 298 H HA 0.777 5.338 4.556 0.008 0.000 0.354 298 H C -1.001 174.274 175.328 -0.088 0.000 1.252 298 H CA -1.240 54.811 56.048 0.005 0.000 1.117 298 H CB 0.847 30.343 29.762 -0.445 0.000 1.857 298 H HN 0.446 nan 8.280 nan 0.000 0.547 299 L N 2.169 123.395 121.223 0.005 0.000 2.453 299 L HA 0.278 4.622 4.340 0.008 0.000 0.272 299 L C -2.146 174.792 176.870 0.114 0.000 1.182 299 L CA -1.374 53.415 54.840 -0.085 0.000 0.858 299 L CB -0.033 41.922 42.059 -0.173 0.000 1.120 299 L HN 0.627 nan 8.230 nan 0.000 0.474 300 P HA 0.165 nan 4.420 nan 0.000 0.265 300 P C 0.682 178.068 177.300 0.143 0.000 1.193 300 P CA 0.802 63.964 63.100 0.104 0.000 0.765 300 P CB 0.740 32.462 31.700 0.036 0.000 0.823 301 G N 1.784 110.711 108.800 0.212 0.000 2.199 301 G HA2 -0.235 3.729 3.960 0.008 0.000 0.254 301 G HA3 -0.235 3.729 3.960 0.008 0.000 0.254 301 G C 0.321 175.365 174.900 0.239 0.000 0.982 301 G CA 0.291 45.518 45.100 0.212 0.000 0.632 301 G HN 0.779 nan 8.290 nan 0.000 0.529 302 S N -0.330 115.520 115.700 0.250 0.000 2.610 302 S HA 0.734 5.208 4.470 0.008 0.000 0.273 302 S C 0.077 174.768 174.600 0.151 0.000 1.274 302 S CA -0.122 58.191 58.200 0.190 0.000 1.023 302 S CB 2.386 65.701 63.200 0.191 0.000 0.962 302 S HN 0.783 nan 8.310 nan 0.000 0.523 303 R N 0.677 121.082 120.500 -0.157 0.000 2.604 303 R HA 0.467 4.812 4.340 0.008 0.000 0.287 303 R C -0.543 175.316 176.300 -0.735 0.000 0.970 303 R CA -0.430 55.206 56.100 -0.774 0.000 0.946 303 R CB 1.519 31.186 30.300 -1.055 0.000 1.127 303 R HN 0.716 nan 8.270 nan 0.000 0.473 304 S N 1.657 116.652 115.700 -1.174 0.000 2.422 304 S HA 0.146 4.621 4.470 0.008 0.000 0.283 304 S C -0.605 173.642 174.600 -0.588 0.000 1.163 304 S CA -0.235 57.321 58.200 -1.074 0.000 1.054 304 S CB 0.183 62.506 63.200 -1.462 0.000 0.967 304 S HN 0.626 nan 8.310 nan 0.000 0.499 305 T N 3.717 118.045 114.554 -0.377 0.000 3.198 305 T HA 0.429 4.784 4.350 0.008 0.000 0.352 305 T C -3.021 171.582 174.700 -0.162 0.000 1.197 305 T CA -1.820 60.121 62.100 -0.265 0.000 1.427 305 T CB 0.778 69.481 68.868 -0.276 0.000 0.983 305 T HN 0.283 nan 8.240 nan 0.000 0.560 306 P HA 0.056 nan 4.420 nan 0.000 0.261 306 P C 1.564 178.829 177.300 -0.058 0.000 1.165 306 P CA 0.526 63.590 63.100 -0.060 0.000 0.759 306 P CB 0.304 31.987 31.700 -0.028 0.000 0.772 307 G N 4.179 112.954 108.800 -0.041 0.000 2.574 307 G HA2 -0.335 3.630 3.960 0.008 0.000 0.220 307 G HA3 -0.335 3.630 3.960 0.008 0.000 0.220 307 G C 1.790 176.673 174.900 -0.028 0.000 1.173 307 G CA 1.132 46.214 45.100 -0.030 0.000 0.772 307 G HN 0.624 nan 8.290 nan 0.000 0.585 308 G N -0.529 108.257 108.800 -0.022 0.000 2.440 308 G HA2 -0.181 3.784 3.960 0.008 0.000 0.218 308 G HA3 -0.181 3.784 3.960 0.008 0.000 0.218 308 G C 1.840 176.713 174.900 -0.045 0.000 1.154 308 G CA 1.259 46.341 45.100 -0.029 0.000 0.767 308 G HN 0.413 nan 8.290 nan 0.000 0.552 309 Q N -0.501 119.273 119.800 -0.044 0.000 2.311 309 Q HA 0.114 4.459 4.340 0.008 0.000 0.203 309 Q C 2.476 178.418 176.000 -0.097 0.000 0.954 309 Q CA 0.315 56.084 55.803 -0.057 0.000 0.885 309 Q CB -0.269 28.446 28.738 -0.039 0.000 0.963 309 Q HN 0.493 nan 8.270 nan 0.000 0.471 310 L N -0.057 121.102 121.223 -0.107 0.000 2.093 310 L HA -0.082 4.263 4.340 0.008 0.000 0.208 310 L C 1.967 178.750 176.870 -0.146 0.000 1.085 310 L CA 1.292 56.042 54.840 -0.150 0.000 0.755 310 L CB -0.424 41.542 42.059 -0.155 0.000 0.904 310 L HN -0.085 nan 8.230 nan 0.000 0.435 311 V N -0.556 119.297 119.914 -0.102 0.000 2.548 311 V HA -0.204 3.921 4.120 0.008 0.000 0.249 311 V C 2.472 178.507 176.094 -0.099 0.000 1.055 311 V CA 1.583 63.827 62.300 -0.093 0.000 1.065 311 V CB -0.395 31.387 31.823 -0.069 0.000 0.681 311 V HN 0.559 nan 8.190 nan 0.000 0.462 312 Q N 0.961 120.704 119.800 -0.096 0.000 2.163 312 Q HA -0.055 4.290 4.340 0.008 0.000 0.198 312 Q C 1.258 177.201 176.000 -0.095 0.000 0.954 312 Q CA 1.397 57.151 55.803 -0.082 0.000 0.851 312 Q CB 0.174 28.874 28.738 -0.065 0.000 0.928 312 Q HN 0.712 nan 8.270 nan 0.000 0.459 313 E N -0.613 119.494 120.200 -0.154 0.000 3.167 313 E HA 0.152 4.507 4.350 0.008 0.000 0.210 313 E C 0.198 176.659 176.600 -0.233 0.000 1.004 313 E CA 0.121 56.344 56.400 -0.295 0.000 1.256 313 E CB 0.729 30.134 29.700 -0.492 0.000 1.193 313 E HN 0.225 nan 8.360 nan 0.000 0.448 314 T N 1.507 115.983 114.554 -0.131 0.000 2.685 314 T HA -0.235 4.119 4.350 0.008 0.000 0.268 314 T C 1.593 176.247 174.700 -0.077 0.000 1.034 314 T CA 1.921 63.938 62.100 -0.138 0.000 1.149 314 T CB -0.258 68.572 68.868 -0.063 0.000 0.860 314 T HN 0.481 nan 8.240 nan 0.000 0.449 315 D N 0.760 121.198 120.400 0.063 0.000 2.350 315 D HA -0.159 4.486 4.640 0.008 0.000 0.216 315 D C 1.515 177.909 176.300 0.156 0.000 0.968 315 D CA 0.889 54.983 54.000 0.156 0.000 0.894 315 D CB -0.653 40.286 40.800 0.232 0.000 0.909 315 D HN 0.594 nan 8.370 nan 0.000 0.520 316 H N -0.456 118.581 119.070 -0.055 0.000 2.502 316 H HA 0.051 4.612 4.556 0.009 0.000 0.283 316 H C 1.678 176.926 175.328 -0.134 0.000 1.015 316 H CA 0.432 56.432 56.048 -0.080 0.000 1.298 316 H CB 0.950 30.674 29.762 -0.063 0.000 1.411 316 H HN 0.074 nan 8.280 nan 0.000 0.556 317 V N -0.114 119.741 119.914 -0.098 0.000 2.840 317 V HA 0.186 4.311 4.120 0.008 0.000 0.234 317 V C 1.132 176.890 176.094 -0.559 0.000 1.159 317 V CA 0.619 62.740 62.300 -0.297 0.000 1.194 317 V CB 0.208 31.806 31.823 -0.375 0.000 0.971 317 V HN 0.231 nan 8.190 nan 0.000 0.494 318 A N 0.311 122.742 122.820 -0.649 0.000 3.015 318 A HA 0.425 4.750 4.320 0.008 0.000 0.293 318 A C 1.228 178.763 177.584 -0.082 0.000 1.572 318 A CA 0.081 51.625 52.037 -0.821 0.000 1.274 318 A CB -0.095 18.271 19.000 -1.056 0.000 1.156 318 A HN 0.329 nan 8.150 nan 0.000 0.562 319 S N 0.202 115.933 115.700 0.053 0.000 2.489 319 S HA -0.003 4.472 4.470 0.008 0.000 0.228 319 S C 0.700 175.472 174.600 0.288 0.000 0.995 319 S CA 0.351 58.663 58.200 0.188 0.000 0.934 319 S CB 0.054 63.320 63.200 0.110 0.000 0.771 319 S HN 0.470 nan 8.310 nan 0.000 0.522 320 V N 3.687 123.839 119.914 0.397 0.000 2.339 320 V HA 0.301 4.426 4.120 0.008 0.000 0.261 320 V C 0.291 176.620 176.094 0.392 0.000 1.058 320 V CA -0.654 61.850 62.300 0.340 0.000 0.897 320 V CB 0.234 32.242 31.823 0.309 0.000 1.052 320 V HN 0.143 nan 8.190 nan 0.000 0.480 321 R N 3.861 124.481 120.500 0.199 0.000 2.449 321 R HA 0.475 4.820 4.340 0.008 0.000 0.296 321 R C 1.179 177.402 176.300 -0.129 0.000 1.047 321 R CA 1.134 57.176 56.100 -0.095 0.000 1.018 321 R CB 0.168 30.308 30.300 -0.268 0.000 0.962 321 R HN 0.972 nan 8.270 nan 0.000 0.428 322 G N 1.863 110.518 108.800 -0.242 0.000 2.195 322 G HA2 -0.217 3.748 3.960 0.008 0.000 0.224 322 G HA3 -0.217 3.748 3.960 0.008 0.000 0.224 322 G C 0.287 175.220 174.900 0.055 0.000 0.990 322 G CA -0.006 45.021 45.100 -0.122 0.000 0.639 322 G HN 0.928 nan 8.290 nan 0.000 0.514 323 A N -0.203 122.779 122.820 0.269 0.000 2.325 323 A HA 0.761 5.085 4.320 0.008 0.000 0.260 323 A C 0.673 178.430 177.584 0.288 0.000 1.133 323 A CA 0.784 52.984 52.037 0.271 0.000 0.801 323 A CB 0.320 19.569 19.000 0.414 0.000 1.092 323 A HN 0.686 nan 8.150 nan 0.000 0.504 324 R N -1.062 119.511 120.500 0.123 0.000 2.514 324 R HA 0.599 4.943 4.340 0.008 0.000 0.301 324 R C -1.819 174.601 176.300 0.199 0.000 0.962 324 R CA -0.483 55.656 56.100 0.064 0.000 0.882 324 R CB 0.907 31.045 30.300 -0.270 0.000 1.143 324 R HN 0.516 nan 8.270 nan 0.000 0.452 325 L N 3.624 124.992 121.223 0.242 0.000 2.365 325 L HA 0.518 4.863 4.340 0.008 0.000 0.273 325 L C -0.995 176.026 176.870 0.252 0.000 1.000 325 L CA -0.678 54.288 54.840 0.210 0.000 0.819 325 L CB 2.212 44.293 42.059 0.037 0.000 1.284 325 L HN 0.314 nan 8.230 nan 0.000 0.418 326 V N 4.342 124.377 119.914 0.202 0.000 2.407 326 V HA 0.485 4.610 4.120 0.008 0.000 0.291 326 V C -0.229 175.907 176.094 0.069 0.000 1.018 326 V CA -0.585 61.802 62.300 0.146 0.000 0.842 326 V CB 1.741 33.644 31.823 0.134 0.000 0.996 326 V HN 0.482 nan 8.190 nan 0.000 0.426 327 L N 5.254 126.502 121.223 0.042 0.000 2.309 327 L HA 0.700 5.045 4.340 0.008 0.000 0.282 327 L C -0.533 176.356 176.870 0.031 0.000 1.036 327 L CA -0.810 54.044 54.840 0.024 0.000 0.806 327 L CB 1.887 43.954 42.059 0.013 0.000 1.220 327 L HN 0.323 nan 8.230 nan 0.000 0.429 328 V N 1.631 121.575 119.914 0.051 0.000 2.555 328 V HA 0.556 4.681 4.120 0.008 0.000 0.302 328 V C -0.718 175.464 176.094 0.147 0.000 1.038 328 V CA -0.426 61.930 62.300 0.094 0.000 0.887 328 V CB 1.916 33.799 31.823 0.100 0.000 0.991 328 V HN 0.951 nan 8.190 nan 0.000 0.434 329 D N 1.933 122.444 120.400 0.185 0.000 2.639 329 D HA 0.376 5.021 4.640 0.008 0.000 0.271 329 D C -0.922 175.496 176.300 0.196 0.000 1.254 329 D CA -0.625 53.473 54.000 0.163 0.000 0.810 329 D CB 1.732 42.575 40.800 0.071 0.000 1.351 329 D HN 0.484 nan 8.370 nan 0.000 0.427 330 D N -1.120 119.315 120.400 0.058 0.000 2.623 330 D HA 0.162 4.807 4.640 0.008 0.000 0.252 330 D C -0.164 176.116 176.300 -0.033 0.000 1.294 330 D CA -0.305 53.683 54.000 -0.020 0.000 0.824 330 D CB -0.070 40.536 40.800 -0.323 0.000 1.070 330 D HN 0.457 nan 8.370 nan 0.000 0.487 331 D N -1.623 118.773 120.400 -0.007 0.000 2.449 331 D HA 0.123 4.768 4.640 0.008 0.000 0.255 331 D C 1.481 177.776 176.300 -0.008 0.000 1.121 331 D CA 0.333 54.322 54.000 -0.019 0.000 0.830 331 D CB 0.134 40.914 40.800 -0.033 0.000 1.280 331 D HN 0.224 nan 8.370 nan 0.000 0.522 332 G N 0.959 109.761 108.800 0.004 0.000 2.143 332 G HA2 -0.293 3.672 3.960 0.008 0.000 0.249 332 G HA3 -0.293 3.672 3.960 0.008 0.000 0.249 332 G C 0.796 175.691 174.900 -0.008 0.000 0.981 332 G CA 0.606 45.707 45.100 0.001 0.000 0.665 332 G HN 0.383 nan 8.290 nan 0.000 0.528 333 V N -0.528 119.378 119.914 -0.013 0.000 3.054 333 V HA 0.158 4.283 4.120 0.008 0.000 0.227 333 V C 2.551 178.635 176.094 -0.017 0.000 1.252 333 V CA 1.550 63.838 62.300 -0.020 0.000 1.279 333 V CB -0.425 31.380 31.823 -0.030 0.000 1.118 333 V HN 0.289 nan 8.190 nan 0.000 0.504 334 R N 1.101 121.590 120.500 -0.019 0.000 2.096 334 R HA -0.163 4.182 4.340 0.008 0.000 0.240 334 R C 2.371 178.673 176.300 0.003 0.000 1.139 334 R CA 1.850 57.942 56.100 -0.012 0.000 0.952 334 R CB -0.630 29.657 30.300 -0.022 0.000 0.854 334 R HN 0.529 nan 8.270 nan 0.000 0.436 335 A N 1.560 124.385 122.820 0.009 0.000 1.898 335 A HA -0.097 4.228 4.320 0.008 0.000 0.216 335 A C 1.051 178.636 177.584 0.001 0.000 1.181 335 A CA 0.786 52.830 52.037 0.012 0.000 0.620 335 A CB -0.429 18.585 19.000 0.024 0.000 0.819 335 A HN 0.240 nan 8.150 nan 0.000 0.442 339 A N 2.271 125.094 122.820 0.005 0.000 1.933 339 A HA -0.056 4.269 4.320 0.008 0.000 0.218 339 A C 2.176 179.743 177.584 -0.028 0.000 1.175 339 A CA 2.374 54.412 52.037 0.002 0.000 0.628 339 A CB -0.961 18.044 19.000 0.009 0.000 0.814 339 A HN 0.836 nan 8.150 nan 0.000 0.444 340 S N -1.414 114.211 115.700 -0.125 0.000 2.383 340 S HA -0.244 4.231 4.470 0.008 0.000 0.229 340 S C 1.816 176.251 174.600 -0.275 0.000 1.030 340 S CA 1.317 59.371 58.200 -0.243 0.000 1.002 340 S CB -0.861 62.084 63.200 -0.424 0.000 0.829 340 S HN 0.738 nan 8.310 nan 0.000 0.467 341 W N 1.310 122.579 121.300 -0.051 0.000 2.409 341 W HA 0.253 4.918 4.660 0.009 0.000 0.299 341 W C 2.287 178.643 176.519 -0.272 0.000 1.203 341 W CA -0.097 57.177 57.345 -0.117 0.000 1.298 341 W CB -0.295 29.133 29.460 -0.053 0.000 1.127 341 W HN 0.240 nan 8.180 nan 0.000 0.528 342 L N 0.091 121.352 121.223 0.062 0.000 2.083 342 L HA -0.191 4.154 4.340 0.008 0.000 0.209 342 L C 2.643 179.583 176.870 0.117 0.000 1.083 342 L CA 1.227 56.099 54.840 0.053 0.000 0.752 342 L CB -1.087 40.962 42.059 -0.016 0.000 0.899 342 L HN -0.000 nan 8.230 nan 0.000 0.433 343 A N -0.757 122.092 122.820 0.048 0.000 1.898 343 A HA -0.132 4.193 4.320 0.008 0.000 0.216 343 A C 1.478 178.965 177.584 -0.163 0.000 1.181 343 A CA 0.844 52.930 52.037 0.082 0.000 0.620 343 A CB -0.329 18.748 19.000 0.128 0.000 0.819 343 A HN 0.399 nan 8.150 nan 0.000 0.442 347 W N 1.599 122.926 121.300 0.044 0.000 2.251 347 W HA 0.599 5.264 4.660 0.008 0.000 0.329 347 W C 0.742 177.299 176.519 0.063 0.000 1.234 347 W CA -0.526 56.843 57.345 0.041 0.000 1.228 347 W CB 0.902 30.375 29.460 0.022 0.000 1.135 347 W HN 0.095 nan 8.180 nan 0.000 0.576 348 Q N 2.825 122.817 119.800 0.320 0.000 2.314 348 Q HA 0.438 4.783 4.340 0.008 0.000 0.257 348 Q C -1.359 174.802 176.000 0.269 0.000 0.975 348 Q CA -0.256 55.676 55.803 0.217 0.000 0.933 348 Q CB 1.120 29.916 28.738 0.096 0.000 1.195 348 Q HN 0.498 nan 8.270 nan 0.000 0.426 349 V N 3.031 123.101 119.914 0.260 0.000 2.925 349 V HA 0.932 5.057 4.120 0.008 0.000 0.311 349 V C -1.632 174.606 176.094 0.241 0.000 1.104 349 V CA -0.219 62.228 62.300 0.245 0.000 0.954 349 V CB 2.072 33.995 31.823 0.168 0.000 1.022 349 V HN 0.921 nan 8.190 nan 0.000 0.427 350 A N 4.752 127.712 122.820 0.234 0.000 2.454 350 A HA 0.917 5.242 4.320 0.008 0.000 0.302 350 A C -1.361 176.250 177.584 0.046 0.000 1.079 350 A CA -0.606 51.504 52.037 0.122 0.000 0.731 350 A CB 2.181 21.198 19.000 0.028 0.000 1.299 350 A HN 1.083 nan 8.150 nan 0.000 0.413 351 V N 1.728 121.643 119.914 0.001 0.000 2.459 351 V HA 0.353 4.477 4.120 0.008 0.000 0.295 351 V C -0.576 175.492 176.094 -0.043 0.000 1.029 351 V CA -0.553 61.742 62.300 -0.008 0.000 0.874 351 V CB 1.450 33.272 31.823 -0.002 0.000 0.985 351 V HN 0.777 nan 8.190 nan 0.000 0.438 352 L N 5.460 126.660 121.223 -0.038 0.000 2.325 352 L HA 0.427 4.772 4.340 0.008 0.000 0.284 352 L C -0.046 176.802 176.870 -0.036 0.000 1.089 352 L CA 0.490 55.294 54.840 -0.061 0.000 0.836 352 L CB 0.131 42.155 42.059 -0.059 0.000 1.184 352 L HN 0.595 nan 8.230 nan 0.000 0.444 353 D N 3.413 123.783 120.400 -0.049 0.000 2.332 353 D HA 0.555 5.199 4.640 0.008 0.000 0.252 353 D C 0.927 177.211 176.300 -0.026 0.000 1.050 353 D CA 0.529 54.513 54.000 -0.027 0.000 0.970 353 D CB 1.584 42.365 40.800 -0.032 0.000 1.141 353 D HN 0.717 nan 8.370 nan 0.000 0.485 354 G N 0.073 108.868 108.800 -0.007 0.000 2.148 354 G HA2 -0.252 3.713 3.960 0.008 0.000 0.254 354 G HA3 -0.252 3.713 3.960 0.008 0.000 0.254 354 G C 0.195 175.099 174.900 0.007 0.000 0.981 354 G CA -0.020 45.077 45.100 -0.005 0.000 0.670 354 G HN 0.373 nan 8.290 nan 0.000 0.528 355 L N 1.280 122.520 121.223 0.028 0.000 2.397 355 L HA 0.556 4.901 4.340 0.008 0.000 0.271 355 L C 1.131 178.074 176.870 0.123 0.000 1.148 355 L CA 0.248 55.120 54.840 0.052 0.000 0.825 355 L CB 1.258 43.358 42.059 0.070 0.000 1.117 355 L HN 0.454 nan 8.230 nan 0.000 0.456 356 S N 0.138 115.915 115.700 0.128 0.000 2.677 356 S HA 0.327 4.802 4.470 0.008 0.000 0.304 356 S C 0.523 175.270 174.600 0.244 0.000 1.108 356 S CA -0.934 57.350 58.200 0.140 0.000 0.944 356 S CB 1.656 64.898 63.200 0.070 0.000 1.127 356 S HN 0.654 nan 8.310 nan 0.000 0.511 357 E N 0.645 120.947 120.200 0.170 0.000 2.171 357 E HA -0.168 4.187 4.350 0.008 0.000 0.197 357 E C 2.064 178.788 176.600 0.206 0.000 0.997 357 E CA 1.293 57.797 56.400 0.173 0.000 0.810 357 E CB -0.453 29.277 29.700 0.050 0.000 0.738 357 E HN 0.753 nan 8.360 nan 0.000 0.467 358 A N 1.658 124.553 122.820 0.125 0.000 2.015 358 A HA -0.182 4.143 4.320 0.008 0.000 0.219 358 A C 1.601 179.218 177.584 0.056 0.000 1.163 358 A CA 1.265 53.346 52.037 0.073 0.000 0.646 358 A CB -0.110 18.911 19.000 0.035 0.000 0.806 358 A HN 0.092 nan 8.150 nan 0.000 0.448 359 D N -0.806 119.624 120.400 0.049 0.000 2.269 359 D HA -0.040 4.604 4.640 0.008 0.000 0.208 359 D C -0.164 176.001 176.300 -0.225 0.000 0.963 359 D CA 0.673 54.604 54.000 -0.114 0.000 0.864 359 D CB -0.188 40.481 40.800 -0.219 0.000 0.936 359 D HN 0.521 nan 8.370 nan 0.000 0.505 360 F N 1.335 121.265 119.950 -0.033 0.000 2.660 360 F HA 0.070 4.602 4.527 0.008 0.000 0.342 360 F C 1.815 177.550 175.800 -0.108 0.000 1.195 360 F CA -0.459 57.506 58.000 -0.058 0.000 1.300 360 F CB 0.024 39.003 39.000 -0.036 0.000 1.616 360 F HN -0.162 nan 8.300 nan 0.000 0.592 361 S N -1.675 114.004 115.700 -0.036 0.000 2.425 361 S HA -0.047 4.427 4.470 0.008 0.000 0.225 361 S C 0.727 175.235 174.600 -0.153 0.000 1.024 361 S CA -0.144 58.016 58.200 -0.067 0.000 0.951 361 S CB -0.201 62.965 63.200 -0.056 0.000 0.796 361 S HN 0.535 nan 8.310 nan 0.000 0.498 362 E N 1.676 121.707 120.200 -0.282 0.000 2.316 362 E HA 0.251 4.606 4.350 0.008 0.000 0.275 362 E C -0.455 175.729 176.600 -0.692 0.000 1.029 362 E CA -0.329 55.811 56.400 -0.434 0.000 0.871 362 E CB 0.513 29.951 29.700 -0.435 0.000 1.022 362 E HN 0.387 nan 8.360 nan 0.000 0.418 363 R N 2.310 122.599 120.500 -0.352 0.000 2.854 363 R HA 0.724 5.069 4.340 0.008 0.000 0.271 363 R C -0.134 176.160 176.300 -0.009 0.000 0.996 363 R CA -0.419 55.559 56.100 -0.202 0.000 0.961 363 R CB 2.010 32.255 30.300 -0.092 0.000 1.182 363 R HN 0.807 nan 8.270 nan 0.000 0.479 364 G N 0.236 109.088 108.800 0.087 0.000 2.631 364 G HA2 0.080 4.044 3.960 0.008 0.000 0.504 364 G HA3 0.080 4.044 3.960 0.008 0.000 0.504 364 G C -0.817 174.266 174.900 0.306 0.000 1.306 364 G CA -0.547 44.654 45.100 0.167 0.000 0.897 364 G HN 0.776 nan 8.290 nan 0.000 0.520 365 A N -0.688 122.301 122.820 0.281 0.000 2.406 365 A HA 0.511 4.836 4.320 0.008 0.000 0.243 365 A C 0.151 177.997 177.584 0.436 0.000 1.082 365 A CA 0.812 53.065 52.037 0.359 0.000 0.786 365 A CB 0.295 19.435 19.000 0.234 0.000 1.029 365 A HN 1.967 nan 8.150 nan 0.000 0.495 366 W N 1.958 123.430 121.300 0.286 0.000 2.210 366 W HA 0.376 5.040 4.660 0.008 0.000 0.330 366 W C 0.344 176.942 176.519 0.132 0.000 1.334 366 W CA 0.454 57.920 57.345 0.203 0.000 1.227 366 W CB 0.739 30.218 29.460 0.031 0.000 1.178 366 W HN 0.511 nan 8.180 nan 0.000 0.560 367 S N 5.827 121.254 115.700 -0.455 0.000 2.474 367 S HA 0.636 5.111 4.470 0.008 0.000 0.320 367 S C -0.063 173.908 174.600 -1.049 0.000 1.067 367 S CA -0.636 57.243 58.200 -0.534 0.000 1.127 367 S CB -0.378 62.695 63.200 -0.211 0.000 0.971 367 S HN 0.761 nan 8.310 nan 0.000 0.472 368 A N 6.797 128.854 122.820 -1.273 0.000 2.540 368 A HA 0.420 4.745 4.320 0.008 0.000 0.239 368 A C -2.031 175.285 177.584 -0.446 0.000 1.061 368 A CA -0.874 50.427 52.037 -1.227 0.000 0.758 368 A CB -0.274 18.268 19.000 -0.763 0.000 0.991 368 A HN 0.705 nan 8.150 nan 0.000 0.502 369 P HA 0.371 nan 4.420 nan 0.000 0.276 369 P C -0.962 176.394 177.300 0.093 0.000 1.243 369 P CA 0.251 63.353 63.100 0.004 0.000 0.768 369 P CB 0.649 32.416 31.700 0.111 0.000 0.856 370 L N 5.126 126.415 121.223 0.110 0.000 2.323 370 L HA 0.575 4.920 4.340 0.008 0.000 0.265 370 L C -1.733 175.308 176.870 0.284 0.000 1.012 370 L CA -2.300 52.642 54.840 0.171 0.000 0.820 370 L CB 2.173 44.304 42.059 0.121 0.000 1.334 370 L HN 0.284 nan 8.230 nan 0.000 0.427 371 P HA 0.161 nan 4.420 nan 0.000 0.289 371 P C -0.932 176.505 177.300 0.229 0.000 1.299 371 P CA -0.793 62.501 63.100 0.324 0.000 0.766 371 P CB 0.638 32.495 31.700 0.262 0.000 1.226 372 R N 0.448 121.046 120.500 0.163 0.000 2.570 372 R HA -0.007 4.338 4.340 0.008 0.000 0.277 372 R C 0.019 176.357 176.300 0.063 0.000 1.039 372 R CA 0.066 56.218 56.100 0.086 0.000 1.065 372 R CB -0.062 30.266 30.300 0.047 0.000 0.964 372 R HN 0.307 nan 8.270 nan 0.000 0.428 373 Q N 5.465 125.248 119.800 -0.028 0.000 2.293 373 Q HA 0.207 4.552 4.340 0.008 0.000 0.263 373 Q C -1.963 173.894 176.000 -0.239 0.000 1.002 373 Q CA -1.319 54.361 55.803 -0.206 0.000 0.910 373 Q CB 1.100 29.739 28.738 -0.164 0.000 1.185 373 Q HN 0.460 nan 8.270 nan 0.000 0.401 374 P HA 0.044 nan 4.420 nan 0.000 0.272 374 P C -0.728 176.446 177.300 -0.210 0.000 1.230 374 P CA -0.315 62.636 63.100 -0.248 0.000 0.788 374 P CB 0.777 32.309 31.700 -0.281 0.000 0.949 375 R N 0.851 121.268 120.500 -0.139 0.000 2.582 375 R HA 0.579 4.924 4.340 0.008 0.000 0.271 375 R C -0.828 175.400 176.300 -0.121 0.000 1.078 375 R CA -0.305 55.728 56.100 -0.113 0.000 1.127 375 R CB 0.297 30.549 30.300 -0.079 0.000 1.038 375 R HN 0.673 nan 8.270 nan 0.000 0.500 376 A N 2.968 125.727 122.820 -0.103 0.000 2.594 376 A HA 0.269 4.594 4.320 0.008 0.000 0.296 376 A C -1.821 175.721 177.584 -0.071 0.000 1.061 376 A CA -0.941 51.035 52.037 -0.103 0.000 0.689 376 A CB 1.513 20.449 19.000 -0.107 0.000 1.280 376 A HN 0.735 nan 8.150 nan 0.000 0.406 377 D N 2.575 122.915 120.400 -0.100 0.000 2.312 377 D HA 0.450 5.095 4.640 0.008 0.000 0.252 377 D C 0.549 176.917 176.300 0.113 0.000 1.150 377 D CA 0.626 54.608 54.000 -0.029 0.000 0.870 377 D CB 1.531 42.224 40.800 -0.179 0.000 1.153 377 D HN 0.688 nan 8.370 nan 0.000 0.457 378 T N -0.552 114.092 114.554 0.150 0.000 2.944 378 T HA 0.716 5.071 4.350 0.008 0.000 0.284 378 T C 0.183 174.970 174.700 0.145 0.000 1.010 378 T CA -0.910 61.278 62.100 0.146 0.000 1.025 378 T CB 1.719 70.623 68.868 0.059 0.000 1.079 378 T HN 0.364 nan 8.240 nan 0.000 0.516 379 I N 0.485 121.071 120.570 0.028 0.000 2.619 379 I HA 0.352 4.526 4.170 0.008 0.000 0.292 379 I C -1.315 174.730 176.117 -0.121 0.000 1.100 379 I CA -0.942 60.264 61.300 -0.155 0.000 1.043 379 I CB 2.007 39.739 38.000 -0.447 0.000 1.239 379 I HN 0.681 nan 8.210 nan 0.000 0.420 380 D N 8.185 128.505 120.400 -0.133 0.000 2.339 380 D HA 0.179 4.824 4.640 0.008 0.000 0.245 380 D C -1.900 174.354 176.300 -0.076 0.000 1.115 380 D CA -1.246 52.705 54.000 -0.080 0.000 0.917 380 D CB 1.284 42.037 40.800 -0.078 0.000 1.192 380 D HN 0.344 nan 8.370 nan 0.000 0.428 381 P HA -0.184 nan 4.420 nan 0.000 0.215 381 P C 1.482 178.728 177.300 -0.090 0.000 1.157 381 P CA 2.069 65.203 63.100 0.056 0.000 0.874 381 P CB 0.030 31.736 31.700 0.009 0.000 0.790 382 T N -4.766 109.696 114.554 -0.153 0.000 2.833 382 T HA -0.113 4.242 4.350 0.008 0.000 0.269 382 T C 1.722 176.349 174.700 -0.122 0.000 1.054 382 T CA 1.892 63.892 62.100 -0.167 0.000 1.135 382 T CB -1.666 67.120 68.868 -0.135 0.000 0.869 382 T HN 0.038 nan 8.240 nan 0.000 0.466 383 T N 2.147 116.607 114.554 -0.157 0.000 2.812 383 T HA 0.090 4.445 4.350 0.008 0.000 0.264 383 T C 1.764 176.251 174.700 -0.355 0.000 1.042 383 T CA 1.054 63.006 62.100 -0.246 0.000 1.140 383 T CB -0.482 68.170 68.868 -0.359 0.000 0.870 383 T HN 0.249 nan 8.240 nan 0.000 0.445 384 L N 1.757 122.810 121.223 -0.284 0.000 2.046 384 L HA 0.059 4.404 4.340 0.008 0.000 0.208 384 L C 2.583 179.556 176.870 0.172 0.000 1.077 384 L CA 1.879 56.637 54.840 -0.136 0.000 0.747 384 L CB -1.108 41.004 42.059 0.089 0.000 0.896 384 L HN 0.215 nan 8.230 nan 0.000 0.432 385 A N -0.711 122.243 122.820 0.223 0.000 1.908 385 A HA -0.252 4.072 4.320 0.008 0.000 0.218 385 A C 2.034 179.723 177.584 0.175 0.000 1.181 385 A CA 2.018 54.200 52.037 0.241 0.000 0.627 385 A CB -0.926 18.056 19.000 -0.030 0.000 0.818 385 A HN 0.544 nan 8.150 nan 0.000 0.445 386 D N -1.252 119.220 120.400 0.120 0.000 2.097 386 D HA -0.171 4.474 4.640 0.008 0.000 0.195 386 D C 1.681 178.147 176.300 0.277 0.000 0.989 386 D CA 1.123 55.219 54.000 0.160 0.000 0.827 386 D CB -0.399 40.488 40.800 0.145 0.000 0.966 386 D HN 0.646 nan 8.370 nan 0.000 0.456 387 W N 1.262 122.574 121.300 0.020 0.000 2.321 387 W HA -0.063 4.598 4.660 0.001 0.000 0.306 387 W C 2.287 178.816 176.519 0.018 0.000 1.217 387 W CA 0.427 57.773 57.345 0.001 0.000 1.257 387 W CB -1.103 28.343 29.460 -0.022 0.000 1.145 387 W HN 0.025 nan 8.180 nan 0.000 0.509 388 L N -0.011 121.390 121.223 0.296 0.000 2.549 388 L HA -0.027 4.318 4.340 0.008 0.000 0.229 388 L C 2.355 179.306 176.870 0.135 0.000 1.158 388 L CA 0.905 55.859 54.840 0.191 0.000 0.842 388 L CB -1.197 40.981 42.059 0.199 0.000 0.952 388 L HN 0.061 nan 8.230 nan 0.000 0.452 389 G N -0.788 108.091 108.800 0.131 0.000 2.598 389 G HA2 -0.045 3.920 3.960 0.008 0.000 0.215 389 G HA3 -0.045 3.920 3.960 0.008 0.000 0.215 389 G C 0.588 175.521 174.900 0.055 0.000 1.131 389 G CA 0.281 45.434 45.100 0.087 0.000 0.785 389 G HN 0.214 nan 8.290 nan 0.000 0.539 390 E N 0.006 120.233 120.200 0.046 0.000 2.343 390 E HA 0.347 4.701 4.350 0.008 0.000 0.270 390 E C -2.581 174.019 176.600 -0.001 0.000 0.895 390 E CA -1.863 54.542 56.400 0.009 0.000 0.767 390 E CB 2.209 31.898 29.700 -0.019 0.000 1.248 390 E HN -0.045 nan 8.360 nan 0.000 0.440 391 P HA 0.257 nan 4.420 nan 0.000 0.274 391 P C 0.496 177.762 177.300 -0.056 0.000 1.246 391 P CA 0.208 63.294 63.100 -0.024 0.000 0.795 391 P CB 0.818 32.505 31.700 -0.022 0.000 1.006 392 G N -0.426 108.334 108.800 -0.067 0.000 2.284 392 G HA2 -0.136 3.829 3.960 0.008 0.000 0.201 392 G HA3 -0.136 3.829 3.960 0.008 0.000 0.201 392 G C 0.022 174.841 174.900 -0.134 0.000 0.998 392 G CA -0.130 44.904 45.100 -0.109 0.000 0.651 392 G HN 0.695 nan 8.290 nan 0.000 0.489 393 T N 1.312 115.820 114.554 -0.077 0.000 2.749 393 T HA 0.618 4.973 4.350 0.008 0.000 0.287 393 T C -0.113 174.569 174.700 -0.030 0.000 0.970 393 T CA -0.291 61.793 62.100 -0.026 0.000 0.980 393 T CB 1.857 70.803 68.868 0.130 0.000 0.924 393 T HN 0.452 nan 8.240 nan 0.000 0.456 394 R N 3.192 123.630 120.500 -0.104 0.000 2.255 394 R HA 0.545 4.890 4.340 0.008 0.000 0.326 394 R C -1.337 175.015 176.300 0.087 0.000 0.986 394 R CA -0.550 55.514 56.100 -0.060 0.000 0.847 394 R CB 0.438 30.615 30.300 -0.204 0.000 1.111 394 R HN 0.422 nan 8.270 nan 0.000 0.452 395 V N 6.811 126.772 119.914 0.079 0.000 2.370 395 V HA 0.400 4.525 4.120 0.008 0.000 0.279 395 V C -0.130 176.000 176.094 0.060 0.000 1.029 395 V CA -0.687 61.666 62.300 0.089 0.000 0.870 395 V CB 1.329 33.167 31.823 0.024 0.000 0.984 395 V HN 0.620 nan 8.190 nan 0.000 0.451 396 L N 4.194 125.464 121.223 0.078 0.000 2.313 396 L HA 0.577 4.922 4.340 0.008 0.000 0.283 396 L C -0.525 176.279 176.870 -0.110 0.000 1.013 396 L CA -0.452 54.335 54.840 -0.088 0.000 0.816 396 L CB 1.778 43.776 42.059 -0.102 0.000 1.236 396 L HN 0.517 nan 8.230 nan 0.000 0.419 397 D N 2.243 122.497 120.400 -0.243 0.000 2.349 397 D HA 0.252 4.897 4.640 0.008 0.000 0.232 397 D C 0.060 176.175 176.300 -0.308 0.000 1.071 397 D CA -0.245 53.708 54.000 -0.077 0.000 0.832 397 D CB 1.232 42.109 40.800 0.128 0.000 1.086 397 D HN 0.265 nan 8.370 nan 0.000 0.504 398 F N 1.027 120.957 119.950 -0.034 0.000 2.727 398 F HA 0.073 4.614 4.527 0.022 0.000 0.302 398 F C 1.749 177.595 175.800 0.075 0.000 1.097 398 F CA -0.120 57.837 58.000 -0.072 0.000 1.330 398 F CB 0.398 39.368 39.000 -0.050 0.000 1.084 398 F HN 0.226 nan 8.300 nan 0.000 0.578 399 T N 0.743 115.484 114.554 0.312 0.000 2.734 399 T HA 0.442 4.797 4.350 0.008 0.000 0.314 399 T C 0.584 175.537 174.700 0.422 0.000 1.057 399 T CA -0.440 61.846 62.100 0.310 0.000 1.047 399 T CB 0.495 69.525 68.868 0.271 0.000 0.991 399 T HN 0.193 nan 8.240 nan 0.000 0.540 400 A N 2.058 125.054 122.820 0.293 0.000 2.531 400 A HA 0.299 4.624 4.320 0.008 0.000 0.236 400 A C 1.788 179.449 177.584 0.127 0.000 1.062 400 A CA 0.387 52.577 52.037 0.255 0.000 0.760 400 A CB -0.187 18.888 19.000 0.124 0.000 0.995 400 A HN 1.170 nan 8.150 nan 0.000 0.501 401 S N 2.330 117.920 115.700 -0.184 0.000 2.387 401 S HA -0.183 4.292 4.470 0.008 0.000 0.230 401 S C 1.884 176.266 174.600 -0.363 0.000 1.035 401 S CA 1.620 59.268 58.200 -0.921 0.000 1.014 401 S CB -0.722 61.623 63.200 -1.424 0.000 0.836 401 S HN 1.454 nan 8.310 nan 0.000 0.466 402 A N 2.922 125.632 122.820 -0.183 0.000 1.902 402 A HA -0.102 4.223 4.320 0.008 0.000 0.217 402 A C 2.192 179.755 177.584 -0.034 0.000 1.181 402 A CA 1.589 53.567 52.037 -0.099 0.000 0.623 402 A CB -0.800 18.159 19.000 -0.068 0.000 0.818 402 A HN 0.597 nan 8.150 nan 0.000 0.443 403 N N -1.355 117.356 118.700 0.018 0.000 2.142 403 N HA -0.160 4.585 4.740 0.008 0.000 0.186 403 N C 1.609 177.177 175.510 0.097 0.000 1.023 403 N CA 1.655 54.743 53.050 0.063 0.000 0.852 403 N CB -0.668 37.883 38.487 0.106 0.000 0.998 403 N HN 0.673 nan 8.380 nan 0.000 0.424 404 Y N 1.848 122.145 120.300 -0.005 0.000 2.128 404 Y HA -0.174 4.380 4.550 0.007 0.000 0.284 404 Y C 2.320 178.291 175.900 0.118 0.000 1.154 404 Y CA 1.911 60.043 58.100 0.053 0.000 1.149 404 Y CB -0.533 37.885 38.460 -0.070 0.000 0.976 404 Y HN 0.077 nan 8.280 nan 0.000 0.505 405 A N 0.104 122.933 122.820 0.015 0.000 2.019 405 A HA -0.217 4.108 4.320 0.008 0.000 0.219 405 A C 2.279 179.813 177.584 -0.083 0.000 1.164 405 A CA 1.893 53.900 52.037 -0.050 0.000 0.644 405 A CB -0.743 18.235 19.000 -0.038 0.000 0.805 405 A HN 0.577 nan 8.150 nan 0.000 0.449 406 K N -1.326 119.036 120.400 -0.063 0.000 2.116 406 K HA 0.010 4.335 4.320 0.008 0.000 0.203 406 K C 0.711 177.247 176.600 -0.107 0.000 1.052 406 K CA 0.765 57.011 56.287 -0.068 0.000 0.952 406 K CB 0.057 32.536 32.500 -0.035 0.000 0.729 406 K HN 0.366 nan 8.250 nan 0.000 0.446 407 R N -0.227 120.201 120.500 -0.120 0.000 2.764 407 R HA 0.102 4.447 4.340 0.008 0.000 0.250 407 R C -2.087 174.126 176.300 -0.145 0.000 1.122 407 R CA -0.572 55.416 56.100 -0.185 0.000 1.022 407 R CB 0.908 31.159 30.300 -0.082 0.000 1.266 407 R HN 0.425 nan 8.270 nan 0.000 0.454 408 H N 1.703 120.655 119.070 -0.197 0.000 3.014 408 H HA 0.431 4.997 4.556 0.016 0.000 0.337 408 H C -0.732 174.468 175.328 -0.214 0.000 1.320 408 H CA -0.909 55.023 56.048 -0.194 0.000 1.128 408 H CB 0.672 30.241 29.762 -0.322 0.000 1.862 408 H HN 0.400 nan 8.280 nan 0.000 0.536 409 I N 2.045 122.537 120.570 -0.129 0.000 2.683 409 I HA 0.114 4.289 4.170 0.008 0.000 0.286 409 I C -2.082 173.973 176.117 -0.102 0.000 1.175 409 I CA -1.540 59.481 61.300 -0.464 0.000 1.429 409 I CB 0.390 37.883 38.000 -0.846 0.000 1.371 409 I HN 0.418 nan 8.210 nan 0.000 0.569 410 P HA -0.018 nan 4.420 nan 0.000 0.261 410 P C 0.791 178.123 177.300 0.053 0.000 1.183 410 P CA 0.872 63.995 63.100 0.039 0.000 0.761 410 P CB 0.520 32.263 31.700 0.072 0.000 0.785 411 G N 2.277 111.144 108.800 0.112 0.000 2.225 411 G HA2 -0.234 3.731 3.960 0.008 0.000 0.254 411 G HA3 -0.234 3.731 3.960 0.008 0.000 0.254 411 G C 0.502 175.441 174.900 0.066 0.000 0.988 411 G CA -0.012 45.136 45.100 0.079 0.000 0.625 411 G HN 0.845 nan 8.290 nan 0.000 0.527 412 A N 0.230 123.095 122.820 0.075 0.000 2.483 412 A HA 0.701 5.026 4.320 0.008 0.000 0.238 412 A C 0.792 178.411 177.584 0.058 0.000 1.070 412 A CA 1.283 53.355 52.037 0.059 0.000 0.770 412 A CB 0.442 19.498 19.000 0.093 0.000 1.008 412 A HN 2.125 nan 8.150 nan 0.000 0.497 413 A N 1.630 124.433 122.820 -0.028 0.000 2.288 413 A HA 0.528 4.853 4.320 0.008 0.000 0.320 413 A C -0.635 176.756 177.584 -0.321 0.000 1.217 413 A CA -0.419 51.543 52.037 -0.125 0.000 0.840 413 A CB 0.286 19.227 19.000 -0.098 0.000 1.179 413 A HN 1.101 nan 8.150 nan 0.000 0.504 414 W N 3.890 124.728 121.300 -0.770 0.000 2.272 414 W HA 0.482 5.141 4.660 -0.002 0.000 0.318 414 W C -0.264 175.932 176.519 -0.539 0.000 1.255 414 W CA 0.332 57.141 57.345 -0.893 0.000 1.200 414 W CB 1.087 29.731 29.460 -1.361 0.000 1.170 414 W HN 0.832 nan 8.180 nan 0.000 0.549 415 V N 4.508 123.470 119.914 -1.586 0.000 3.159 415 V HA 0.605 4.730 4.120 0.008 0.000 0.308 415 V C -1.252 173.897 176.094 -1.574 0.000 1.190 415 V CA -1.594 59.879 62.300 -1.379 0.000 1.037 415 V CB 1.731 32.983 31.823 -0.951 0.000 1.060 415 V HN 0.513 nan 8.190 nan 0.000 0.437 416 L N 2.251 122.882 121.223 -0.987 0.000 2.282 416 L HA 0.579 4.924 4.340 0.008 0.000 0.288 416 L C 1.610 178.318 176.870 -0.271 0.000 1.033 416 L CA -0.576 53.927 54.840 -0.561 0.000 0.807 416 L CB 1.624 43.484 42.059 -0.332 0.000 1.209 416 L HN 0.900 nan 8.230 nan 0.000 0.423 417 R N 1.207 121.680 120.500 -0.044 0.000 2.152 417 R HA -0.149 4.196 4.340 0.008 0.000 0.232 417 R C 1.921 178.230 176.300 0.014 0.000 1.117 417 R CA 1.745 57.928 56.100 0.138 0.000 0.981 417 R CB 0.144 30.550 30.300 0.177 0.000 0.870 417 R HN 0.826 nan 8.270 nan 0.000 0.451 418 S N -0.729 114.950 115.700 -0.034 0.000 2.555 418 S HA -0.047 4.428 4.470 0.008 0.000 0.230 418 S C 0.898 175.468 174.600 -0.049 0.000 0.978 418 S CA 0.367 58.543 58.200 -0.040 0.000 0.934 418 S CB 0.301 63.476 63.200 -0.041 0.000 0.766 418 S HN 0.435 nan 8.310 nan 0.000 0.533 419 Q N 0.096 119.851 119.800 -0.076 0.000 2.215 419 Q HA 0.426 4.771 4.340 0.008 0.000 0.337 419 Q C 0.536 176.476 176.000 -0.099 0.000 0.887 419 Q CA -0.137 55.618 55.803 -0.080 0.000 1.134 419 Q CB 0.460 29.147 28.738 -0.086 0.000 1.303 419 Q HN 0.397 nan 8.270 nan 0.000 0.421 420 L N 0.324 121.500 121.223 -0.079 0.000 2.083 420 L HA -0.193 4.152 4.340 0.008 0.000 0.209 420 L C 2.437 179.260 176.870 -0.078 0.000 1.083 420 L CA 1.454 56.244 54.840 -0.084 0.000 0.752 420 L CB -0.206 41.831 42.059 -0.036 0.000 0.899 420 L HN 0.308 nan 8.230 nan 0.000 0.433 421 K N 0.161 120.527 120.400 -0.057 0.000 2.009 421 K HA -0.295 4.030 4.320 0.008 0.000 0.210 421 K C 2.194 178.768 176.600 -0.043 0.000 1.049 421 K CA 1.935 58.194 56.287 -0.045 0.000 0.929 421 K CB -0.128 32.353 32.500 -0.032 0.000 0.714 421 K HN 0.258 nan 8.250 nan 0.000 0.440 422 Q N -0.212 119.561 119.800 -0.045 0.000 2.084 422 Q HA -0.166 4.179 4.340 0.008 0.000 0.202 422 Q C 1.906 177.876 176.000 -0.051 0.000 0.978 422 Q CA 1.529 57.308 55.803 -0.040 0.000 0.844 422 Q CB -0.174 28.541 28.738 -0.038 0.000 0.898 422 Q HN 0.454 nan 8.270 nan 0.000 0.426 423 A N 0.838 123.609 122.820 -0.082 0.000 1.877 423 A HA -0.165 4.160 4.320 0.008 0.000 0.216 423 A C 2.054 179.601 177.584 -0.062 0.000 1.186 423 A CA 1.286 53.261 52.037 -0.102 0.000 0.620 423 A CB -0.750 18.140 19.000 -0.183 0.000 0.822 423 A HN 0.452 nan 8.150 nan 0.000 0.443 424 L N -0.713 120.477 121.223 -0.054 0.000 2.083 424 L HA -0.208 4.137 4.340 0.008 0.000 0.209 424 L C 2.601 179.485 176.870 0.023 0.000 1.083 424 L CA 1.594 56.430 54.840 -0.006 0.000 0.752 424 L CB -0.674 41.356 42.059 -0.048 0.000 0.899 424 L HN 0.493 nan 8.230 nan 0.000 0.433 425 E N 0.053 120.254 120.200 0.001 0.000 2.051 425 E HA -0.217 4.138 4.350 0.008 0.000 0.192 425 E C 2.350 178.956 176.600 0.010 0.000 0.991 425 E CA 1.030 57.435 56.400 0.008 0.000 0.799 425 E CB -0.079 29.620 29.700 -0.002 0.000 0.748 425 E HN 0.412 nan 8.360 nan 0.000 0.449 426 R N 0.519 121.018 120.500 -0.001 0.000 2.081 426 R HA -0.094 4.251 4.340 0.008 0.000 0.235 426 R C 2.374 178.678 176.300 0.007 0.000 1.131 426 R CA 1.004 57.103 56.100 -0.001 0.000 0.960 426 R CB -0.295 29.997 30.300 -0.013 0.000 0.856 426 R HN 0.174 nan 8.270 nan 0.000 0.436 427 L N -0.117 121.114 121.223 0.014 0.000 2.465 427 L HA 0.018 4.363 4.340 0.008 0.000 0.224 427 L C 1.367 178.258 176.870 0.035 0.000 1.145 427 L CA 0.548 55.405 54.840 0.027 0.000 0.834 427 L CB -0.562 41.527 42.059 0.049 0.000 0.944 427 L HN 0.489 nan 8.230 nan 0.000 0.451 428 G N 0.272 109.095 108.800 0.039 0.000 2.496 428 G HA2 -0.274 3.691 3.960 0.008 0.000 0.243 428 G HA3 -0.274 3.691 3.960 0.008 0.000 0.243 428 G C 0.020 174.954 174.900 0.057 0.000 1.176 428 G CA -0.121 45.000 45.100 0.034 0.000 0.940 428 G HN 0.321 nan 8.290 nan 0.000 0.573 429 T N -1.846 112.725 114.554 0.028 0.000 2.932 429 T HA 0.995 5.350 4.350 0.008 0.000 0.289 429 T C -0.057 174.609 174.700 -0.057 0.000 1.039 429 T CA 0.685 62.801 62.100 0.027 0.000 1.024 429 T CB 1.907 70.787 68.868 0.019 0.000 1.090 429 T HN 2.479 nan 8.240 nan 0.000 0.496 430 A N 0.590 123.328 122.820 -0.137 0.000 2.566 430 A HA 0.684 5.009 4.320 0.008 0.000 0.292 430 A C 0.487 177.942 177.584 -0.214 0.000 1.112 430 A CA -0.834 51.032 52.037 -0.285 0.000 0.707 430 A CB 1.220 19.810 19.000 -0.683 0.000 1.302 430 A HN 0.889 nan 8.150 nan 0.000 0.409 431 E N -0.011 120.074 120.200 -0.192 0.000 2.318 431 E HA 0.034 4.389 4.350 0.008 0.000 0.193 431 E C 0.165 176.701 176.600 -0.106 0.000 0.998 431 E CA 0.720 57.043 56.400 -0.129 0.000 0.859 431 E CB 0.158 29.772 29.700 -0.144 0.000 0.812 431 E HN 0.573 nan 8.360 nan 0.000 0.492 432 R N -0.611 119.790 120.500 -0.166 0.000 2.664 432 R HA 0.350 4.695 4.340 0.008 0.000 0.260 432 R C -1.775 174.496 176.300 -0.049 0.000 1.062 432 R CA -0.768 55.338 56.100 0.010 0.000 0.902 432 R CB 0.495 30.825 30.300 0.050 0.000 1.258 432 R HN -0.170 nan 8.270 nan 0.000 0.465 433 Y N 0.432 120.888 120.300 0.259 0.000 2.429 433 Y HA 0.603 5.147 4.550 -0.010 0.000 0.342 433 Y C -0.225 175.870 175.900 0.324 0.000 1.004 433 Y CA -0.907 57.332 58.100 0.232 0.000 1.075 433 Y CB 2.738 41.294 38.460 0.160 0.000 1.214 433 Y HN 0.298 nan 8.280 nan 0.000 0.455 434 V N 4.946 125.106 119.914 0.409 0.000 2.483 434 V HA 0.399 4.524 4.120 0.008 0.000 0.297 434 V C -0.577 175.675 176.094 0.263 0.000 1.027 434 V CA -0.910 61.584 62.300 0.323 0.000 0.855 434 V CB 1.438 33.392 31.823 0.218 0.000 0.995 434 V HN 0.564 nan 8.190 nan 0.000 0.424 435 L N 3.855 125.226 121.223 0.247 0.000 2.322 435 L HA 0.829 5.174 4.340 0.008 0.000 0.279 435 L C 0.186 177.181 176.870 0.208 0.000 1.036 435 L CA -0.082 54.921 54.840 0.271 0.000 0.807 435 L CB 1.816 44.015 42.059 0.234 0.000 1.226 435 L HN 0.680 nan 8.230 nan 0.000 0.433 436 T N 0.657 115.367 114.554 0.260 0.000 2.787 436 T HA 0.763 5.118 4.350 0.008 0.000 0.297 436 T C -1.000 173.851 174.700 0.251 0.000 1.221 436 T CA -0.295 61.920 62.100 0.191 0.000 1.006 436 T CB 1.610 70.549 68.868 0.120 0.000 1.328 436 T HN 1.011 nan 8.240 nan 0.000 0.509 437 C N -0.650 118.763 119.300 0.188 0.000 3.253 437 C HA 0.784 5.249 4.460 0.008 0.000 0.361 437 C C 1.988 177.069 174.990 0.153 0.000 1.498 437 C CA 0.017 59.154 59.018 0.200 0.000 1.163 437 C CB 0.344 28.207 27.740 0.205 0.000 1.687 437 C HN 1.036 nan 8.230 nan 0.000 0.430 438 G N 0.932 109.818 108.800 0.145 0.000 2.529 438 G HA2 -0.092 3.873 3.960 0.008 0.000 0.219 438 G HA3 -0.092 3.873 3.960 0.008 0.000 0.219 438 G C 1.315 176.277 174.900 0.104 0.000 1.177 438 G CA 2.425 47.597 45.100 0.120 0.000 0.773 438 G HN 1.951 nan 8.290 nan 0.000 0.573 439 S N -2.052 113.704 115.700 0.094 0.000 2.666 439 S HA 0.311 4.786 4.470 0.008 0.000 0.239 439 S C 1.225 175.866 174.600 0.068 0.000 1.031 439 S CA 1.064 59.311 58.200 0.077 0.000 1.015 439 S CB 0.393 63.633 63.200 0.066 0.000 0.981 439 S HN 1.728 nan 8.310 nan 0.000 0.547 440 S N -0.200 115.545 115.700 0.075 0.000 2.541 440 S HA -0.203 4.272 4.470 0.008 0.000 0.262 440 S C 0.706 175.323 174.600 0.030 0.000 1.321 440 S CA 0.577 58.809 58.200 0.054 0.000 1.243 440 S CB -2.314 60.910 63.200 0.041 0.000 1.531 440 S HN 0.746 nan 8.310 nan 0.000 0.656 441 L N 1.318 122.574 121.223 0.055 0.000 1.994 441 L HA 0.256 4.601 4.340 0.008 0.000 0.208 441 L C 2.292 179.248 176.870 0.142 0.000 1.071 441 L CA 2.600 57.490 54.840 0.082 0.000 0.745 441 L CB -0.823 41.297 42.059 0.102 0.000 0.892 441 L HN 0.621 nan 8.230 nan 0.000 0.431 442 L N -0.126 121.163 121.223 0.110 0.000 2.093 442 L HA 0.015 4.360 4.340 0.008 0.000 0.208 442 L C 2.467 179.284 176.870 -0.089 0.000 1.085 442 L CA 1.976 56.866 54.840 0.084 0.000 0.755 442 L CB -1.249 40.844 42.059 0.056 0.000 0.904 442 L HN 0.305 nan 8.230 nan 0.000 0.435 443 A N -0.311 122.414 122.820 -0.158 0.000 1.972 443 A HA -0.249 4.076 4.320 0.008 0.000 0.219 443 A C 2.530 179.928 177.584 -0.310 0.000 1.169 443 A CA 1.682 53.478 52.037 -0.401 0.000 0.635 443 A CB -0.672 18.270 19.000 -0.097 0.000 0.810 443 A HN 0.526 nan 8.150 nan 0.000 0.446 444 R N -1.495 118.896 120.500 -0.181 0.000 2.096 444 R HA -0.138 4.207 4.340 0.008 0.000 0.235 444 R C 1.429 177.538 176.300 -0.317 0.000 1.127 444 R CA 1.763 57.716 56.100 -0.245 0.000 0.968 444 R CB -0.379 29.743 30.300 -0.296 0.000 0.861 444 R HN 0.463 nan 8.270 nan 0.000 0.440 445 F N -0.003 119.833 119.950 -0.191 0.000 2.604 445 F HA 0.063 4.594 4.527 0.006 0.000 0.298 445 F C 2.090 177.760 175.800 -0.216 0.000 1.131 445 F CA 0.881 58.778 58.000 -0.171 0.000 1.457 445 F CB 0.124 39.035 39.000 -0.149 0.000 1.095 445 F HN 0.160 nan 8.300 nan 0.000 0.574 446 A N -0.922 121.778 122.820 -0.201 0.000 2.220 446 A HA 0.150 4.475 4.320 0.008 0.000 0.211 446 A C 2.124 179.591 177.584 -0.195 0.000 1.176 446 A CA 0.343 52.211 52.037 -0.282 0.000 0.834 446 A CB -0.705 17.848 19.000 -0.745 0.000 0.868 446 A HN 0.110 nan 8.150 nan 0.000 0.488 447 V N 0.415 120.222 119.914 -0.177 0.000 2.252 447 V HA -0.346 3.779 4.120 0.008 0.000 0.249 447 V C 3.084 179.118 176.094 -0.099 0.000 1.056 447 V CA 2.261 64.487 62.300 -0.124 0.000 1.022 447 V CB -1.255 30.492 31.823 -0.127 0.000 0.641 447 V HN 0.590 nan 8.190 nan 0.000 0.445 448 A N -0.720 122.046 122.820 -0.090 0.000 1.908 448 A HA -0.315 4.010 4.320 0.008 0.000 0.218 448 A C 2.302 179.850 177.584 -0.059 0.000 1.181 448 A CA 2.249 54.246 52.037 -0.067 0.000 0.627 448 A CB -0.559 18.411 19.000 -0.050 0.000 0.818 448 A HN 0.659 nan 8.150 nan 0.000 0.445 449 E N -0.397 119.768 120.200 -0.058 0.000 2.072 449 E HA -0.109 4.246 4.350 0.008 0.000 0.191 449 E C 1.881 178.437 176.600 -0.073 0.000 0.985 449 E CA 1.257 57.626 56.400 -0.052 0.000 0.801 449 E CB -0.084 29.592 29.700 -0.039 0.000 0.750 449 E HN 0.339 nan 8.360 nan 0.000 0.452 450 V N 1.253 121.113 119.914 -0.091 0.000 2.343 450 V HA -0.280 3.845 4.120 0.008 0.000 0.247 450 V C 2.325 178.323 176.094 -0.161 0.000 1.051 450 V CA 1.963 64.167 62.300 -0.160 0.000 1.036 450 V CB -0.549 31.169 31.823 -0.175 0.000 0.654 450 V HN 0.318 nan 8.190 nan 0.000 0.451 451 Q N -0.107 119.633 119.800 -0.100 0.000 2.084 451 Q HA -0.166 4.179 4.340 0.008 0.000 0.202 451 Q C 2.455 178.424 176.000 -0.050 0.000 0.978 451 Q CA 1.792 57.556 55.803 -0.065 0.000 0.844 451 Q CB -0.425 28.278 28.738 -0.057 0.000 0.898 451 Q HN 0.675 nan 8.270 nan 0.000 0.426 452 A N 0.875 123.664 122.820 -0.051 0.000 1.877 452 A HA -0.151 4.174 4.320 0.008 0.000 0.216 452 A C 2.068 179.631 177.584 -0.036 0.000 1.186 452 A CA 1.158 53.174 52.037 -0.036 0.000 0.620 452 A CB -0.649 18.332 19.000 -0.032 0.000 0.822 452 A HN 0.278 nan 8.150 nan 0.000 0.443 453 L N 0.127 121.317 121.223 -0.055 0.000 2.109 453 L HA -0.123 4.222 4.340 0.008 0.000 0.207 453 L C 2.863 179.707 176.870 -0.044 0.000 1.086 453 L CA 1.563 56.372 54.840 -0.053 0.000 0.760 453 L CB -0.269 41.747 42.059 -0.072 0.000 0.910 453 L HN 0.612 nan 8.230 nan 0.000 0.437 454 S N -1.210 114.452 115.700 -0.063 0.000 2.475 454 S HA 0.138 4.613 4.470 0.008 0.000 0.224 454 S C 1.652 176.282 174.600 0.050 0.000 1.042 454 S CA 0.439 58.639 58.200 0.000 0.000 0.935 454 S CB 0.421 63.604 63.200 -0.029 0.000 0.801 454 S HN 0.432 nan 8.310 nan 0.000 0.509 455 G N 1.627 110.442 108.800 0.026 0.000 2.179 455 G HA2 -0.211 3.754 3.960 0.008 0.000 0.257 455 G HA3 -0.211 3.754 3.960 0.008 0.000 0.257 455 G C -0.042 174.897 174.900 0.066 0.000 1.010 455 G CA 0.568 45.689 45.100 0.034 0.000 0.736 455 G HN 0.534 nan 8.290 nan 0.000 0.513 456 K N -0.351 120.118 120.400 0.114 0.000 2.258 456 K HA 0.567 4.892 4.320 0.008 0.000 0.236 456 K C -2.659 174.041 176.600 0.166 0.000 1.008 456 K CA -2.208 54.181 56.287 0.169 0.000 0.869 456 K CB 1.115 33.802 32.500 0.311 0.000 1.171 456 K HN -0.073 nan 8.250 nan 0.000 0.447 457 P HA 0.132 nan 4.420 nan 0.000 0.271 457 P C -0.891 176.558 177.300 0.249 0.000 1.220 457 P CA -0.191 63.010 63.100 0.168 0.000 0.768 457 P CB 0.541 32.412 31.700 0.286 0.000 0.848 458 V N 4.792 124.720 119.914 0.023 0.000 2.588 458 V HA 0.513 4.638 4.120 0.008 0.000 0.304 458 V C -0.373 175.616 176.094 -0.174 0.000 1.042 458 V CA -0.364 61.998 62.300 0.102 0.000 0.877 458 V CB 1.256 33.101 31.823 0.036 0.000 0.996 458 V HN 0.378 nan 8.190 nan 0.000 0.425 459 F N 3.541 123.593 119.950 0.170 0.000 2.593 459 F HA 0.732 5.261 4.527 0.003 0.000 0.320 459 F C -0.429 175.413 175.800 0.069 0.000 1.060 459 F CA -0.939 57.126 58.000 0.109 0.000 0.940 459 F CB 2.052 41.124 39.000 0.119 0.000 1.268 459 F HN 0.326 nan 8.300 nan 0.000 0.475 460 L N 2.935 124.282 121.223 0.207 0.000 2.313 460 L HA 0.575 4.920 4.340 0.008 0.000 0.283 460 L C -1.110 175.822 176.870 0.104 0.000 1.013 460 L CA -0.810 54.097 54.840 0.111 0.000 0.816 460 L CB 1.272 43.348 42.059 0.030 0.000 1.236 460 L HN 0.537 nan 8.230 nan 0.000 0.419 461 L N 4.853 126.131 121.223 0.092 0.000 2.500 461 L HA 0.200 4.545 4.340 0.008 0.000 0.272 461 L C 0.021 176.929 176.870 0.063 0.000 1.149 461 L CA 0.487 55.371 54.840 0.073 0.000 0.897 461 L CB -0.067 42.047 42.059 0.092 0.000 1.178 461 L HN 0.608 nan 8.230 nan 0.000 0.473 462 D N 4.822 125.249 120.400 0.045 0.000 2.368 462 D HA 0.229 4.874 4.640 0.008 0.000 0.268 462 D C 1.157 177.487 176.300 0.050 0.000 1.298 462 D CA 1.377 55.399 54.000 0.036 0.000 0.938 462 D CB 0.432 41.243 40.800 0.018 0.000 1.101 462 D HN 0.900 nan 8.370 nan 0.000 0.509 463 G N 2.662 111.492 108.800 0.049 0.000 2.176 463 G HA2 -0.142 3.823 3.960 0.008 0.000 0.253 463 G HA3 -0.142 3.823 3.960 0.008 0.000 0.253 463 G C 0.859 175.809 174.900 0.083 0.000 0.979 463 G CA 0.239 45.374 45.100 0.059 0.000 0.641 463 G HN 1.301 nan 8.290 nan 0.000 0.530 464 G N -1.214 107.642 108.800 0.093 0.000 2.641 464 G HA2 -0.032 3.932 3.960 0.008 0.000 0.254 464 G HA3 -0.032 3.932 3.960 0.008 0.000 0.254 464 G C 0.989 175.976 174.900 0.144 0.000 1.315 464 G CA 0.915 46.081 45.100 0.111 0.000 0.907 464 G HN 1.328 nan 8.290 nan 0.000 0.572 465 T N 0.461 115.096 114.554 0.135 0.000 2.803 465 T HA -0.071 4.284 4.350 0.008 0.000 0.269 465 T C 2.745 177.559 174.700 0.191 0.000 1.052 465 T CA 2.164 64.353 62.100 0.148 0.000 1.136 465 T CB -0.330 68.601 68.868 0.105 0.000 0.864 465 T HN 0.595 nan 8.240 nan 0.000 0.467 466 S N 1.202 116.989 115.700 0.144 0.000 2.382 466 S HA -0.035 4.440 4.470 0.008 0.000 0.228 466 S C 2.557 177.233 174.600 0.128 0.000 1.027 466 S CA 0.938 59.212 58.200 0.123 0.000 0.991 466 S CB -0.455 62.801 63.200 0.093 0.000 0.823 466 S HN 0.626 nan 8.310 nan 0.000 0.469 467 A N 1.322 124.223 122.820 0.134 0.000 1.898 467 A HA -0.115 4.210 4.320 0.008 0.000 0.216 467 A C 1.849 179.516 177.584 0.138 0.000 1.181 467 A CA 1.114 53.217 52.037 0.110 0.000 0.620 467 A CB -0.910 18.148 19.000 0.097 0.000 0.819 467 A HN 0.770 nan 8.150 nan 0.000 0.442 468 W N 1.052 122.359 121.300 0.012 0.000 2.335 468 W HA -0.185 4.487 4.660 0.020 0.000 0.311 468 W C 1.768 178.290 176.519 0.005 0.000 1.213 468 W CA 2.313 59.663 57.345 0.008 0.000 1.274 468 W CB -0.572 28.901 29.460 0.021 0.000 1.148 468 W HN 0.194 nan 8.180 nan 0.000 0.498 469 V N 1.965 122.060 119.914 0.302 0.000 2.343 469 V HA -0.276 3.849 4.120 0.008 0.000 0.247 469 V C 2.738 178.855 176.094 0.038 0.000 1.051 469 V CA 2.370 64.772 62.300 0.168 0.000 1.036 469 V CB -1.651 30.266 31.823 0.157 0.000 0.654 469 V HN 0.276 nan 8.190 nan 0.000 0.451 470 A N -0.233 122.609 122.820 0.037 0.000 2.067 470 A HA 0.048 4.373 4.320 0.008 0.000 0.219 470 A C 2.200 179.756 177.584 -0.047 0.000 1.158 470 A CA 1.534 53.572 52.037 0.002 0.000 0.661 470 A CB -0.466 18.544 19.000 0.017 0.000 0.801 470 A HN 0.580 nan 8.150 nan 0.000 0.452 471 A N -1.692 121.069 122.820 -0.099 0.000 2.238 471 A HA 0.410 4.735 4.320 0.008 0.000 0.208 471 A C 1.776 179.243 177.584 -0.195 0.000 1.177 471 A CA 1.131 53.069 52.037 -0.164 0.000 0.804 471 A CB -0.892 17.959 19.000 -0.248 0.000 0.823 471 A HN 1.802 nan 8.150 nan 0.000 0.482 472 G N -1.172 107.531 108.800 -0.161 0.000 2.148 472 G HA2 -0.224 3.741 3.960 0.008 0.000 0.254 472 G HA3 -0.224 3.741 3.960 0.008 0.000 0.254 472 G C 0.107 174.892 174.900 -0.193 0.000 0.981 472 G CA 0.360 45.379 45.100 -0.136 0.000 0.670 472 G HN 0.442 nan 8.290 nan 0.000 0.528 473 L N 1.895 122.897 121.223 -0.368 0.000 2.436 473 L HA 0.404 4.749 4.340 0.008 0.000 0.265 473 L C -0.922 175.900 176.870 -0.080 0.000 1.168 473 L CA -1.908 52.644 54.840 -0.480 0.000 0.815 473 L CB 0.516 41.688 42.059 -1.477 0.000 1.109 473 L HN 0.023 nan 8.230 nan 0.000 0.462 474 P HA 0.115 nan 4.420 nan 0.000 0.271 474 P C -0.787 176.721 177.300 0.346 0.000 1.218 474 P CA -0.229 62.982 63.100 0.183 0.000 0.780 474 P CB 0.972 32.748 31.700 0.127 0.000 0.901 475 T N -1.539 113.110 114.554 0.157 0.000 2.907 475 T HA 0.591 4.946 4.350 0.008 0.000 0.290 475 T C -0.796 173.838 174.700 -0.110 0.000 1.066 475 T CA -0.823 61.300 62.100 0.039 0.000 1.012 475 T CB 2.267 71.137 68.868 0.004 0.000 1.184 475 T HN 0.543 nan 8.240 nan 0.000 0.522 476 E N 0.279 120.276 120.200 -0.337 0.000 2.317 476 E HA 0.514 4.869 4.350 0.008 0.000 0.270 476 E C -1.619 174.512 176.600 -0.781 0.000 0.885 476 E CA -0.784 55.356 56.400 -0.434 0.000 0.760 476 E CB 1.749 31.259 29.700 -0.318 0.000 1.227 476 E HN 0.863 nan 8.360 nan 0.000 0.434 477 D N 1.582 121.719 120.400 -0.437 0.000 2.533 477 D HA 0.737 5.382 4.640 0.008 0.000 0.247 477 D C 0.302 176.518 176.300 -0.141 0.000 1.056 477 D CA -0.004 53.791 54.000 -0.342 0.000 1.054 477 D CB 1.168 41.850 40.800 -0.196 0.000 1.400 477 D HN 0.771 nan 8.370 nan 0.000 0.533 478 G N -0.497 108.254 108.800 -0.081 0.000 2.710 478 G HA2 -0.116 3.849 3.960 0.008 0.000 0.668 478 G HA3 -0.116 3.849 3.960 0.008 0.000 0.668 478 G C -0.699 174.235 174.900 0.055 0.000 1.320 478 G CA -0.581 44.512 45.100 -0.011 0.000 0.860 478 G HN 0.649 nan 8.290 nan 0.000 0.538 479 E N 0.932 121.181 120.200 0.081 0.000 2.261 479 E HA 0.326 4.681 4.350 0.008 0.000 0.308 479 E C 1.572 178.282 176.600 0.183 0.000 1.400 479 E CA 0.291 56.790 56.400 0.165 0.000 1.542 479 E CB 0.111 29.854 29.700 0.073 0.000 1.369 479 E HN 0.442 nan 8.360 nan 0.000 0.493 480 S N 0.872 116.707 115.700 0.225 0.000 2.359 480 S HA -0.161 4.313 4.470 0.008 0.000 0.223 480 S C 0.692 175.385 174.600 0.154 0.000 1.039 480 S CA 1.007 59.317 58.200 0.183 0.000 1.042 480 S CB 0.041 63.381 63.200 0.233 0.000 0.915 480 S HN 0.316 nan 8.310 nan 0.000 0.439 481 L N 1.001 122.338 121.223 0.191 0.000 2.568 481 L HA 0.448 4.793 4.340 0.008 0.000 0.262 481 L C -1.737 175.148 176.870 0.026 0.000 0.980 481 L CA -0.041 54.853 54.840 0.090 0.000 0.882 481 L CB 0.963 43.059 42.059 0.063 0.000 1.198 481 L HN 0.084 nan 8.230 nan 0.000 0.425 482 L N 4.934 126.180 121.223 0.039 0.000 2.262 482 L HA 0.600 4.945 4.340 0.008 0.000 0.288 482 L C 1.154 178.044 176.870 0.034 0.000 1.035 482 L CA -0.193 54.683 54.840 0.061 0.000 0.820 482 L CB 1.608 43.727 42.059 0.099 0.000 1.204 482 L HN 0.773 nan 8.230 nan 0.000 0.424 483 A N 2.123 124.923 122.820 -0.034 0.000 2.275 483 A HA 0.334 4.659 4.320 0.008 0.000 0.212 483 A C 0.712 178.243 177.584 -0.089 0.000 1.201 483 A CA 0.191 52.182 52.037 -0.077 0.000 0.843 483 A CB 0.164 19.080 19.000 -0.139 0.000 0.873 483 A HN 0.615 nan 8.150 nan 0.000 0.492 484 S N 0.122 115.797 115.700 -0.041 0.000 2.588 484 S HA 0.602 5.077 4.470 0.008 0.000 0.275 484 S C -3.064 171.656 174.600 0.200 0.000 1.130 484 S CA -1.054 57.129 58.200 -0.028 0.000 0.855 484 S CB 2.140 65.165 63.200 -0.292 0.000 1.116 484 S HN 0.211 nan 8.310 nan 0.000 0.472 485 P HA 0.280 nan 4.420 nan 0.000 0.279 485 P C -1.095 176.371 177.300 0.276 0.000 1.239 485 P CA -0.450 62.752 63.100 0.170 0.000 0.789 485 P CB 0.486 32.242 31.700 0.092 0.000 0.933 486 R N 3.221 123.798 120.500 0.130 0.000 3.247 486 R HA 0.180 4.525 4.340 0.008 0.000 0.212 486 R C 0.995 177.323 176.300 0.048 0.000 1.604 486 R CA 0.056 56.152 56.100 -0.007 0.000 1.279 486 R CB -0.790 29.387 30.300 -0.205 0.000 1.277 486 R HN 0.576 nan 8.270 nan 0.000 0.669 487 I N -1.903 118.751 120.570 0.140 0.000 4.009 487 I HA 0.131 4.306 4.170 0.008 0.000 0.331 487 I C 0.717 176.911 176.117 0.128 0.000 1.462 487 I CA -0.336 61.031 61.300 0.112 0.000 1.117 487 I CB 0.397 38.460 38.000 0.104 0.000 1.091 487 I HN 0.143 nan 8.210 nan 0.000 0.410 488 D N 1.999 122.495 120.400 0.160 0.000 2.348 488 D HA -0.135 4.510 4.640 0.008 0.000 0.216 488 D C 0.896 177.256 176.300 0.099 0.000 0.970 488 D CA 0.493 54.585 54.000 0.153 0.000 0.889 488 D CB 0.267 41.222 40.800 0.258 0.000 0.912 488 D HN 0.523 nan 8.370 nan 0.000 0.524 489 R N -0.505 120.041 120.500 0.077 0.000 2.574 489 R HA 0.231 4.576 4.340 0.008 0.000 0.288 489 R C -1.761 174.603 176.300 0.107 0.000 1.004 489 R CA -0.907 55.237 56.100 0.073 0.000 0.895 489 R CB 1.202 31.509 30.300 0.011 0.000 1.191 489 R HN -0.079 nan 8.270 nan 0.000 0.444 490 Y N 3.906 124.216 120.300 0.018 0.000 2.402 490 Y HA 0.213 4.767 4.550 0.007 0.000 0.333 490 Y C -0.124 175.748 175.900 -0.046 0.000 1.076 490 Y CA -0.542 57.563 58.100 0.008 0.000 1.299 490 Y CB 0.677 39.168 38.460 0.053 0.000 1.197 490 Y HN 0.558 nan 8.280 nan 0.000 0.517 491 R N 7.100 127.273 120.500 -0.545 0.000 2.441 491 R HA 0.163 4.508 4.340 0.008 0.000 0.300 491 R C -0.458 175.232 176.300 -1.017 0.000 1.284 491 R CA -0.238 55.508 56.100 -0.590 0.000 1.069 491 R CB -0.196 29.901 30.300 -0.339 0.000 1.087 491 R HN 0.775 nan 8.270 nan 0.000 0.519 492 R N 5.118 125.059 120.500 -0.932 0.000 2.421 492 R HA 0.026 4.371 4.340 0.008 0.000 0.305 492 R C -1.723 174.126 176.300 -0.752 0.000 1.039 492 R CA -1.304 54.211 56.100 -0.974 0.000 1.003 492 R CB 0.530 30.174 30.300 -1.094 0.000 0.959 492 R HN 0.455 nan 8.270 nan 0.000 0.427 493 P HA -0.141 nan 4.420 nan 0.000 0.225 493 P C -0.073 177.045 177.300 -0.303 0.000 1.148 493 P CA 1.034 63.936 63.100 -0.330 0.000 0.779 493 P CB 0.088 31.697 31.700 -0.152 0.000 0.780 494 Y N -2.144 117.883 120.300 -0.455 0.000 2.524 494 Y HA 0.449 5.004 4.550 0.009 0.000 0.266 494 Y C 0.008 175.808 175.900 -0.167 0.000 1.180 494 Y CA -0.784 57.133 58.100 -0.307 0.000 1.244 494 Y CB -0.459 37.774 38.460 -0.379 0.000 1.125 494 Y HN -0.137 nan 8.280 nan 0.000 0.524 495 E N 0.955 120.914 120.200 -0.402 0.000 2.248 495 E HA 0.523 4.878 4.350 0.008 0.000 0.267 495 E C 0.010 176.497 176.600 -0.189 0.000 0.877 495 E CA -0.573 55.665 56.400 -0.270 0.000 0.759 495 E CB 1.962 31.445 29.700 -0.362 0.000 1.182 495 E HN 0.500 nan 8.360 nan 0.000 0.418 496 G N 1.047 109.780 108.800 -0.112 0.000 2.795 496 G HA2 -0.262 3.702 3.960 0.008 0.000 0.664 496 G HA3 -0.262 3.702 3.960 0.008 0.000 0.664 496 G C 0.224 175.089 174.900 -0.057 0.000 1.381 496 G CA -0.030 45.017 45.100 -0.088 0.000 0.853 496 G HN 0.519 nan 8.290 nan 0.000 0.545 497 T N -1.052 113.476 114.554 -0.044 0.000 3.132 497 T HA 0.285 4.640 4.350 0.008 0.000 0.274 497 T C 1.054 175.735 174.700 -0.032 0.000 1.011 497 T CA 1.078 63.170 62.100 -0.014 0.000 0.899 497 T CB -0.264 68.618 68.868 0.023 0.000 1.089 497 T HN 0.791 nan 8.240 nan 0.000 0.543 498 D N 0.087 120.453 120.400 -0.057 0.000 2.463 498 D HA 0.096 4.740 4.640 0.008 0.000 0.224 498 D C -0.243 176.022 176.300 -0.058 0.000 1.174 498 D CA -0.438 53.528 54.000 -0.056 0.000 0.829 498 D CB -0.194 40.566 40.800 -0.067 0.000 0.993 498 D HN 0.237 nan 8.370 nan 0.000 0.497 499 N N 3.089 121.755 118.700 -0.057 0.000 2.455 499 N HA 0.228 4.973 4.740 0.008 0.000 0.280 499 N C -2.082 173.413 175.510 -0.026 0.000 1.055 499 N CA -0.824 52.192 53.050 -0.058 0.000 0.961 499 N CB 1.580 40.020 38.487 -0.078 0.000 1.121 499 N HN 0.175 nan 8.380 nan 0.000 0.476 500 P HA 0.136 nan 4.420 nan 0.000 0.269 500 P C 0.466 177.774 177.300 0.013 0.000 1.209 500 P CA -0.154 62.944 63.100 -0.003 0.000 0.776 500 P CB 1.356 33.054 31.700 -0.003 0.000 0.876 501 R N 1.189 121.700 120.500 0.019 0.000 2.117 501 R HA -0.201 4.144 4.340 0.008 0.000 0.243 501 R C 1.887 178.211 176.300 0.041 0.000 1.143 501 R CA 1.782 57.900 56.100 0.031 0.000 0.968 501 R CB -0.309 30.005 30.300 0.024 0.000 0.863 501 R HN 0.533 nan 8.270 nan 0.000 0.444 502 E N 0.737 120.957 120.200 0.033 0.000 2.077 502 E HA -0.066 4.289 4.350 0.008 0.000 0.193 502 E C 0.856 177.493 176.600 0.061 0.000 0.989 502 E CA 1.186 57.611 56.400 0.041 0.000 0.800 502 E CB -0.192 29.526 29.700 0.030 0.000 0.746 502 E HN 0.380 nan 8.360 nan 0.000 0.452 506 G N 0.140 109.037 108.800 0.161 0.000 2.432 506 G HA2 -0.274 3.691 3.960 0.008 0.000 0.219 506 G HA3 -0.274 3.691 3.960 0.008 0.000 0.219 506 G C 1.129 176.194 174.900 0.275 0.000 1.135 506 G CA 1.086 46.294 45.100 0.179 0.000 0.767 506 G HN 0.354 nan 8.290 nan 0.000 0.550 507 Y N 1.121 121.541 120.300 0.201 0.000 2.200 507 Y HA 0.016 4.571 4.550 0.008 0.000 0.290 507 Y C 2.562 178.673 175.900 0.352 0.000 1.137 507 Y CA 1.167 59.449 58.100 0.304 0.000 1.163 507 Y CB -0.200 38.423 38.460 0.272 0.000 0.988 507 Y HN 0.110 nan 8.280 nan 0.000 0.518 508 L N -0.353 121.015 121.223 0.243 0.000 2.046 508 L HA -0.224 4.121 4.340 0.008 0.000 0.208 508 L C 2.067 178.991 176.870 0.090 0.000 1.077 508 L CA 1.516 56.427 54.840 0.119 0.000 0.747 508 L CB -0.652 41.486 42.059 0.131 0.000 0.896 508 L HN 0.168 nan 8.230 nan 0.000 0.432 509 D N -0.667 119.804 120.400 0.118 0.000 2.144 509 D HA -0.234 4.411 4.640 0.008 0.000 0.199 509 D C 1.732 178.138 176.300 0.177 0.000 0.984 509 D CA 1.113 55.181 54.000 0.113 0.000 0.834 509 D CB -0.238 40.616 40.800 0.089 0.000 0.955 509 D HN 0.453 nan 8.370 nan 0.000 0.465 510 W N 2.301 123.600 121.300 -0.002 0.000 2.355 510 W HA -0.130 4.536 4.660 0.010 0.000 0.309 510 W C 1.990 178.475 176.519 -0.057 0.000 1.206 510 W CA 1.397 58.725 57.345 -0.029 0.000 1.284 510 W CB -0.230 29.195 29.460 -0.058 0.000 1.145 510 W HN -0.063 nan 8.180 nan 0.000 0.502 511 E N -0.628 119.332 120.200 -0.399 0.000 2.153 511 E HA -0.246 4.109 4.350 0.008 0.000 0.194 511 E C 2.018 178.413 176.600 -0.342 0.000 0.988 511 E CA 1.311 57.329 56.400 -0.637 0.000 0.811 511 E CB -0.743 28.700 29.700 -0.428 0.000 0.746 511 E HN 0.348 nan 8.360 nan 0.000 0.466 512 F N 0.902 120.695 119.950 -0.262 0.000 2.269 512 F HA -0.066 4.466 4.527 0.008 0.000 0.301 512 F C 1.906 177.601 175.800 -0.176 0.000 1.082 512 F CA 1.493 59.390 58.000 -0.171 0.000 1.360 512 F CB 0.052 38.996 39.000 -0.093 0.000 1.041 512 F HN -0.081 nan 8.300 nan 0.000 0.512 513 G N -0.603 108.090 108.800 -0.179 0.000 3.126 513 G HA2 0.081 4.046 3.960 0.008 0.000 0.224 513 G HA3 0.081 4.046 3.960 0.008 0.000 0.224 513 G C 1.493 176.233 174.900 -0.268 0.000 1.142 513 G CA -0.013 44.958 45.100 -0.214 0.000 0.759 513 G HN 0.374 nan 8.290 nan 0.000 0.550 514 L N 0.152 121.155 121.223 -0.367 0.000 2.056 514 L HA -0.082 4.263 4.340 0.008 0.000 0.207 514 L C 2.836 179.613 176.870 -0.154 0.000 1.078 514 L CA 0.622 55.290 54.840 -0.286 0.000 0.749 514 L CB -0.363 41.438 42.059 -0.430 0.000 0.901 514 L HN 0.088 nan 8.230 nan 0.000 0.433 515 V N -0.025 119.768 119.914 -0.202 0.000 2.407 515 V HA -0.312 3.813 4.120 0.008 0.000 0.248 515 V C 2.473 178.511 176.094 -0.092 0.000 1.055 515 V CA 2.020 64.234 62.300 -0.144 0.000 1.049 515 V CB -0.461 31.256 31.823 -0.177 0.000 0.662 515 V HN 0.517 nan 8.190 nan 0.000 0.455 516 E N -0.287 119.839 120.200 -0.123 0.000 2.077 516 E HA -0.264 4.091 4.350 0.008 0.000 0.193 516 E C 2.297 178.874 176.600 -0.039 0.000 0.989 516 E CA 1.385 57.736 56.400 -0.082 0.000 0.800 516 E CB -0.071 29.566 29.700 -0.105 0.000 0.746 516 E HN 0.669 nan 8.360 nan 0.000 0.452 517 Q N 0.135 119.910 119.800 -0.042 0.000 2.124 517 Q HA -0.148 4.197 4.340 0.008 0.000 0.202 517 Q C 2.479 178.570 176.000 0.152 0.000 0.977 517 Q CA 1.105 56.896 55.803 -0.020 0.000 0.850 517 Q CB -0.056 28.625 28.738 -0.095 0.000 0.901 517 Q HN 0.396 nan 8.270 nan 0.000 0.429 518 L N -0.148 121.176 121.223 0.169 0.000 2.079 518 L HA -0.161 4.183 4.340 0.008 0.000 0.210 518 L C 2.385 179.393 176.870 0.231 0.000 1.081 518 L CA 1.209 56.152 54.840 0.173 0.000 0.752 518 L CB -0.814 41.193 42.059 -0.087 0.000 0.896 518 L HN 0.342 nan 8.230 nan 0.000 0.433 519 G N -0.443 108.440 108.800 0.139 0.000 2.422 519 G HA2 -0.216 3.749 3.960 0.008 0.000 0.218 519 G HA3 -0.216 3.749 3.960 0.008 0.000 0.218 519 G C 1.755 176.713 174.900 0.097 0.000 1.146 519 G CA 0.283 45.457 45.100 0.123 0.000 0.769 519 G HN 0.269 nan 8.290 nan 0.000 0.547 520 R N 0.003 120.549 120.500 0.076 0.000 2.090 520 R HA -0.018 4.326 4.340 0.008 0.000 0.228 520 R C 2.184 178.545 176.300 0.101 0.000 1.110 520 R CA 1.332 57.465 56.100 0.054 0.000 0.973 520 R CB -0.295 30.006 30.300 0.001 0.000 0.869 520 R HN 0.446 nan 8.270 nan 0.000 0.440 521 D N -0.684 119.822 120.400 0.177 0.000 2.084 521 D HA -0.087 4.558 4.640 0.008 0.000 0.196 521 D C 1.115 177.518 176.300 0.172 0.000 0.985 521 D CA 1.890 56.039 54.000 0.248 0.000 0.826 521 D CB -0.066 40.963 40.800 0.383 0.000 0.978 521 D HN 0.284 nan 8.370 nan 0.000 0.456 522 G N -0.689 108.186 108.800 0.125 0.000 2.187 522 G HA2 -0.306 3.658 3.960 0.008 0.000 0.261 522 G HA3 -0.306 3.658 3.960 0.008 0.000 0.261 522 G C 0.918 175.736 174.900 -0.136 0.000 1.000 522 G CA 1.391 46.469 45.100 -0.037 0.000 0.718 522 G HN 0.638 nan 8.290 nan 0.000 0.519 523 T N -3.268 111.243 114.554 -0.071 0.000 3.040 523 T HA 0.285 4.640 4.350 0.008 0.000 0.266 523 T C 1.631 176.283 174.700 -0.079 0.000 1.005 523 T CA 1.049 63.117 62.100 -0.054 0.000 0.906 523 T CB -0.142 68.788 68.868 0.103 0.000 1.082 523 T HN 0.766 nan 8.240 nan 0.000 0.531 524 H N 1.474 120.526 119.070 -0.031 0.000 2.357 524 H HA 0.364 4.925 4.556 0.008 0.000 0.301 524 H C 2.064 177.209 175.328 -0.305 0.000 1.082 524 H CA 1.110 56.994 56.048 -0.273 0.000 1.342 524 H CB -1.055 28.080 29.762 -1.045 0.000 1.389 524 H HN 0.447 nan 8.280 nan 0.000 0.511 525 G N -0.264 108.337 108.800 -0.331 0.000 2.153 525 G HA2 -0.296 3.669 3.960 0.008 0.000 0.252 525 G HA3 -0.296 3.669 3.960 0.008 0.000 0.252 525 G C -0.323 174.830 174.900 0.421 0.000 0.994 525 G CA 0.206 45.321 45.100 0.025 0.000 0.698 525 G HN 0.309 nan 8.290 nan 0.000 0.521 526 F N 0.249 120.541 119.950 0.570 0.000 2.450 526 F HA 0.669 5.201 4.527 0.008 0.000 0.339 526 F C 0.833 176.883 175.800 0.417 0.000 1.146 526 F CA -1.243 56.982 58.000 0.375 0.000 1.267 526 F CB 0.243 39.456 39.000 0.355 0.000 1.178 526 F HN 0.287 nan 8.300 nan 0.000 0.585 527 F N -1.289 118.950 119.950 0.482 0.000 2.631 527 F HA 0.777 5.309 4.527 0.008 0.000 0.308 527 F C -1.852 174.152 175.800 0.340 0.000 1.097 527 F CA -1.546 56.647 58.000 0.322 0.000 0.952 527 F CB 1.094 40.219 39.000 0.208 0.000 1.307 527 F HN 0.096 nan 8.300 nan 0.000 0.450 528 V N 4.209 124.354 119.914 0.386 0.000 2.407 528 V HA 0.426 4.551 4.120 0.008 0.000 0.291 528 V C 0.362 176.624 176.094 0.281 0.000 1.018 528 V CA -0.921 61.533 62.300 0.257 0.000 0.842 528 V CB 1.294 33.189 31.823 0.120 0.000 0.996 528 V HN 0.929 nan 8.190 nan 0.000 0.426 529 I N 1.550 122.273 120.570 0.255 0.000 2.882 529 I HA 0.501 4.676 4.170 0.008 0.000 0.286 529 I C 0.406 176.587 176.117 0.106 0.000 1.139 529 I CA 0.072 61.488 61.300 0.193 0.000 1.379 529 I CB 0.250 38.332 38.000 0.137 0.000 1.410 529 I HN 0.856 nan 8.210 nan 0.000 0.594 530 E N 0.000 120.249 120.200 0.081 0.000 2.725 530 E HA 0.000 4.355 4.350 0.008 0.000 0.291 530 E CA 0.000 56.433 56.400 0.056 0.000 0.976 530 E CB 0.000 29.725 29.700 0.041 0.000 0.812 530 E HN 0.000 nan 8.360 nan 0.000 0.440