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 5cp4_1_A DATA FIRST_RESID 9 DATA SEQUENCE ANLAPLPPHV PEHLVFDFDM YNPSNLSAGV QEAWAVLQES NVPDLVWTRC DATA SEQUENCE NGGHWIATRG QLIREAYEDY RHFSSECPFI PREAGEAYDF IPTSMDPPEQ DATA SEQUENCE RQFRALANQV VGMPVVDKLE NRIQELACSL IESLRPQGQC NFTEDYAEPF DATA SEQUENCE PIRIFMLLAG LPEEDIPHLK YLTDQMTRPD GSMTFAEAKE ALYDYLIPII DATA SEQUENCE EQRRQKPGTD AISIVANGQV NGRPITSDEA KRMCGLLLVG GLDTVVNFLS DATA SEQUENCE FSMEFLAKSP EHRQELIERP ERIPAACEEL LRRFSLVADG RILTSDYEFH DATA SEQUENCE GVQLKKGDQI LLPQMLSGLD ERENACPMHV DFSRQKVSHT TFGHGSHLCL DATA SEQUENCE GQHLARREII VTLKEWLTRI PDFSIAPGAQ IQHKSGIVSG VQALPLVWDP DATA SEQUENCE ATTKAV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.558 177.584 -0.044 0.000 1.274 9 A CA 0.000 52.004 52.037 -0.054 0.000 0.836 9 A CB 0.000 18.953 19.000 -0.079 0.000 0.831 10 N N 2.995 121.673 118.700 -0.036 0.000 2.527 10 N HA 0.117 nan 4.740 nan 0.000 0.236 10 N C -1.475 174.019 175.510 -0.026 0.000 0.999 10 N CA -0.176 52.859 53.050 -0.025 0.000 0.935 10 N CB 0.402 38.879 38.487 -0.015 0.000 1.132 10 N HN 0.134 8.493 8.380 -0.036 0.000 0.511 11 L N 1.344 122.551 121.223 -0.027 0.000 2.305 11 L HA 0.195 nan 4.340 nan 0.000 0.281 11 L C -0.174 176.697 176.870 0.001 0.000 1.085 11 L CA -1.006 53.820 54.840 -0.024 0.000 0.813 11 L CB -0.440 41.602 42.059 -0.029 0.000 1.157 11 L HN 0.169 8.382 8.230 -0.028 0.000 0.436 12 A N 6.663 129.495 122.820 0.020 0.000 2.354 12 A HA 0.294 nan 4.320 nan 0.000 0.269 12 A C -1.915 175.707 177.584 0.064 0.000 1.109 12 A CA -1.922 50.144 52.037 0.048 0.000 0.800 12 A CB -0.516 18.528 19.000 0.073 0.000 1.045 12 A HN 0.371 8.415 8.150 0.011 0.112 0.489 13 P HA -0.086 nan 4.420 nan 0.000 0.258 13 P C -1.189 176.121 177.300 0.018 0.000 1.172 13 P CA 0.116 63.230 63.100 0.024 0.000 0.762 13 P CB 0.343 32.053 31.700 0.016 0.000 0.764 14 L N 6.467 127.675 121.223 -0.025 0.000 2.628 14 L HA -0.016 nan 4.340 nan 0.000 0.274 14 L C -1.918 174.820 176.870 -0.219 0.000 1.209 14 L CA -0.648 54.109 54.840 -0.138 0.000 0.930 14 L CB -0.723 41.236 42.059 -0.167 0.000 1.183 14 L HN 0.212 8.429 8.230 -0.022 0.000 0.492 15 P HA 0.270 nan 4.420 nan 0.000 0.271 15 P C -1.377 175.736 177.300 -0.311 0.000 1.216 15 P CA -1.221 61.704 63.100 -0.292 0.000 0.776 15 P CB 0.229 31.684 31.700 -0.408 0.000 0.881 16 P HA -0.222 nan 4.420 nan 0.000 0.217 16 P C -0.253 177.011 177.300 -0.060 0.000 1.148 16 P CA 1.864 64.927 63.100 -0.063 0.000 0.834 16 P CB -0.258 31.448 31.700 0.009 0.000 0.783 17 H N -6.763 112.230 119.070 -0.128 0.000 2.551 17 H HA 0.027 nan 4.556 nan 0.000 0.266 17 H C -0.446 174.823 175.328 -0.098 0.000 0.977 17 H CA 0.147 56.147 56.048 -0.081 0.000 1.163 17 H CB 0.084 29.829 29.762 -0.027 0.000 1.381 17 H HN -0.269 8.085 8.280 0.174 0.030 0.581 18 V N 3.492 123.011 119.914 -0.658 0.000 2.364 18 V HA 0.267 nan 4.120 nan 0.000 0.272 18 V C -1.479 174.405 176.094 -0.349 0.000 1.036 18 V CA -2.671 59.264 62.300 -0.607 0.000 0.880 18 V CB -0.086 31.009 31.823 -1.214 0.000 0.991 18 V HN -0.235 7.384 8.190 -0.676 0.165 0.460 19 P HA 0.145 nan 4.420 nan 0.000 0.268 19 P C 0.617 177.771 177.300 -0.244 0.000 1.204 19 P CA -0.598 62.377 63.100 -0.208 0.000 0.768 19 P CB 0.917 32.428 31.700 -0.315 0.000 0.842 20 E N 4.032 124.157 120.200 -0.124 0.000 2.204 20 E HA -0.312 nan 4.350 nan 0.000 0.195 20 E C 1.912 178.499 176.600 -0.023 0.000 0.990 20 E CA 3.047 59.404 56.400 -0.072 0.000 0.821 20 E CB -0.367 29.321 29.700 -0.020 0.000 0.750 20 E HN 0.731 9.050 8.360 -0.067 0.000 0.477 21 H N -2.931 116.152 119.070 0.021 0.000 2.546 21 H HA -0.057 nan 4.556 nan 0.000 0.277 21 H C 0.401 175.774 175.328 0.075 0.000 1.004 21 H CA 1.484 57.557 56.048 0.042 0.000 1.231 21 H CB -0.674 29.108 29.762 0.033 0.000 1.382 21 H HN 0.271 8.521 8.280 -0.007 0.027 0.580 22 L N -1.578 119.498 121.223 -0.246 0.000 2.592 22 L HA 0.145 nan 4.340 nan 0.000 0.227 22 L C -0.976 175.947 176.870 0.089 0.000 1.127 22 L CA -0.209 54.605 54.840 -0.043 0.000 0.884 22 L CB 0.751 42.789 42.059 -0.035 0.000 1.065 22 L HN -0.489 7.345 8.230 -0.383 0.166 0.457 23 V N 0.226 120.178 119.914 0.064 0.000 2.614 23 V HA 0.076 nan 4.120 nan 0.000 0.291 23 V C -1.010 175.198 176.094 0.191 0.000 1.049 23 V CA 1.461 63.831 62.300 0.117 0.000 1.038 23 V CB -0.037 31.818 31.823 0.053 0.000 0.980 23 V HN -0.714 7.316 8.190 0.013 0.168 0.481 24 F N 7.837 127.789 119.950 0.002 0.000 3.152 24 F HA 0.255 nan 4.527 nan 0.000 0.367 24 F C -1.630 174.147 175.800 -0.039 0.000 1.272 24 F CA -0.859 57.135 58.000 -0.010 0.000 1.172 24 F CB 2.922 41.918 39.000 -0.006 0.000 1.552 24 F HN 0.836 9.246 8.300 0.183 0.000 0.616 25 D N 7.980 128.230 120.400 -0.250 0.000 2.662 25 D HA -0.087 nan 4.640 nan 0.000 0.228 25 D C -1.290 174.904 176.300 -0.177 0.000 1.093 25 D CA 0.727 54.609 54.000 -0.196 0.000 1.075 25 D CB -1.960 38.724 40.800 -0.193 0.000 1.122 25 D HN 0.301 8.448 8.370 -0.372 0.000 0.475 26 F N 2.781 122.638 119.950 -0.155 0.000 2.420 26 F HA -0.058 nan 4.527 nan 0.000 0.352 26 F C -1.489 174.183 175.800 -0.213 0.000 1.108 26 F CA 0.169 58.087 58.000 -0.136 0.000 1.162 26 F CB 1.788 40.767 39.000 -0.035 0.000 1.118 26 F HN -0.293 8.064 8.300 0.186 0.055 0.510 27 D N 9.108 128.992 120.400 -0.859 0.000 2.443 27 D HA 0.300 nan 4.640 nan 0.000 0.221 27 D C 0.685 176.462 176.300 -0.872 0.000 1.097 27 D CA -1.451 52.193 54.000 -0.593 0.000 0.865 27 D CB 0.268 40.849 40.800 -0.364 0.000 1.034 27 D HN 0.359 8.124 8.370 -1.008 0.000 0.511 28 M N 4.798 124.056 119.600 -0.570 0.000 2.446 28 M HA -0.273 nan 4.480 nan 0.000 0.263 28 M C 0.458 176.553 176.300 -0.341 0.000 1.066 28 M CA 3.041 58.064 55.300 -0.461 0.000 1.087 28 M CB -0.252 32.235 32.600 -0.188 0.000 1.406 28 M HN 0.210 8.325 8.290 -0.291 0.000 0.459 29 Y N -3.929 116.321 120.300 -0.085 0.000 2.462 29 Y HA -0.064 nan 4.550 nan 0.000 0.261 29 Y C -0.753 175.120 175.900 -0.045 0.000 1.146 29 Y CA 1.072 59.163 58.100 -0.015 0.000 1.283 29 Y CB -0.059 38.391 38.460 -0.017 0.000 1.090 29 Y HN -0.399 8.025 8.280 -0.139 -0.227 0.526 30 N N -0.971 117.699 118.700 -0.051 0.000 2.805 30 N HA 0.165 nan 4.740 nan 0.000 0.216 30 N C -2.888 172.485 175.510 -0.228 0.000 1.447 30 N CA -1.732 51.275 53.050 -0.072 0.000 0.785 30 N CB 1.563 40.031 38.487 -0.032 0.000 1.458 30 N HN -0.563 7.604 8.380 -0.209 0.087 0.547 31 P HA 0.027 nan 4.420 nan 0.000 0.266 31 P C 0.686 177.876 177.300 -0.183 0.000 1.195 31 P CA -0.161 62.671 63.100 -0.447 0.000 0.768 31 P CB 0.441 31.963 31.700 -0.297 0.000 0.838 32 S N 3.605 119.204 115.700 -0.169 0.000 2.374 32 S HA -0.284 nan 4.470 nan 0.000 0.227 32 S C 0.418 175.011 174.600 -0.011 0.000 1.037 32 S CA 3.278 61.433 58.200 -0.075 0.000 1.024 32 S CB -0.114 63.049 63.200 -0.061 0.000 0.861 32 S HN 0.662 8.823 8.310 -0.248 0.000 0.456 33 N N 0.138 118.858 118.700 0.033 0.000 2.451 33 N HA 0.146 nan 4.740 nan 0.000 0.264 33 N C 0.242 175.799 175.510 0.079 0.000 1.167 33 N CA -0.499 52.586 53.050 0.057 0.000 0.898 33 N CB -0.042 38.491 38.487 0.077 0.000 1.176 33 N HN -0.014 8.395 8.380 0.048 0.000 0.507 34 L N 2.143 123.408 121.223 0.070 0.000 2.127 34 L HA -0.274 nan 4.340 nan 0.000 0.211 34 L C 0.889 177.803 176.870 0.074 0.000 1.089 34 L CA 2.761 57.664 54.840 0.105 0.000 0.757 34 L CB -0.188 41.929 42.059 0.096 0.000 0.899 34 L HN -0.648 7.519 8.230 0.039 0.087 0.434 35 S N -0.398 115.326 115.700 0.040 0.000 2.440 35 S HA -0.306 nan 4.470 nan 0.000 0.238 35 S C 0.901 175.499 174.600 -0.004 0.000 1.010 35 S CA 2.615 60.822 58.200 0.011 0.000 0.972 35 S CB -0.437 62.770 63.200 0.012 0.000 0.774 35 S HN 0.201 8.510 8.310 0.039 0.024 0.501 36 A N 0.393 123.229 122.820 0.026 0.000 2.238 36 A HA 0.137 nan 4.320 nan 0.000 0.208 36 A C -1.000 176.607 177.584 0.039 0.000 1.177 36 A CA -0.103 51.953 52.037 0.032 0.000 0.804 36 A CB 0.287 19.320 19.000 0.055 0.000 0.823 36 A HN -0.580 7.452 8.150 0.046 0.146 0.482 37 G N -3.369 105.447 108.800 0.026 0.000 2.525 37 G HA2 -0.208 nan 3.960 nan 0.000 0.685 37 G HA3 -0.208 nan 3.960 nan 0.000 0.685 37 G C -1.111 173.970 174.900 0.303 0.000 1.285 37 G CA -0.849 44.310 45.100 0.099 0.000 0.849 37 G HN -0.650 7.463 8.290 0.024 0.191 0.653 38 V N 1.972 122.227 119.914 0.568 0.000 2.379 38 V HA -0.341 nan 4.120 nan 0.000 0.245 38 V C 0.771 177.063 176.094 0.331 0.000 1.044 38 V CA 3.318 65.881 62.300 0.438 0.000 1.036 38 V CB -0.139 31.932 31.823 0.413 0.000 0.664 38 V HN 0.183 9.054 8.190 1.136 0.000 0.453 39 Q N -1.786 118.090 119.800 0.126 0.000 2.124 39 Q HA -0.275 nan 4.340 nan 0.000 0.202 39 Q C 2.272 178.347 176.000 0.126 0.000 0.977 39 Q CA 4.014 59.830 55.803 0.022 0.000 0.850 39 Q CB -0.826 27.826 28.738 -0.144 0.000 0.901 39 Q HN 0.545 8.877 8.270 0.103 0.000 0.429 40 E N -0.368 119.914 120.200 0.135 0.000 2.077 40 E HA -0.337 nan 4.350 nan 0.000 0.193 40 E C 1.811 178.512 176.600 0.169 0.000 0.989 40 E CA 3.060 59.531 56.400 0.119 0.000 0.800 40 E CB -0.947 28.815 29.700 0.103 0.000 0.746 40 E HN 0.083 8.523 8.360 0.149 0.009 0.452 41 A N -1.165 121.800 122.820 0.241 0.000 1.933 41 A HA -0.157 nan 4.320 nan 0.000 0.218 41 A C 2.596 180.377 177.584 0.328 0.000 1.175 41 A CA 2.551 54.745 52.037 0.262 0.000 0.628 41 A CB -0.638 18.523 19.000 0.269 0.000 0.814 41 A HN -0.315 7.915 8.150 0.257 0.075 0.444 42 W N -1.584 119.815 121.300 0.165 0.000 2.476 42 W HA -0.221 nan 4.660 nan 0.000 0.281 42 W C 1.800 178.246 176.519 -0.122 0.000 1.230 42 W CA 3.376 60.739 57.345 0.030 0.000 1.287 42 W CB -0.171 29.284 29.460 -0.010 0.000 1.108 42 W HN -0.195 8.266 8.180 0.603 0.081 0.567 43 A N -1.196 121.713 122.820 0.148 0.000 2.178 43 A HA -0.164 nan 4.320 nan 0.000 0.218 43 A C 1.815 179.391 177.584 -0.014 0.000 1.157 43 A CA 2.519 54.575 52.037 0.031 0.000 0.689 43 A CB -1.137 17.877 19.000 0.024 0.000 0.787 43 A HN 0.238 8.421 8.150 0.203 0.089 0.465 44 V N -4.662 115.263 119.914 0.019 0.000 2.594 44 V HA -0.292 nan 4.120 nan 0.000 0.253 44 V C 1.352 177.374 176.094 -0.120 0.000 1.069 44 V CA 2.506 64.821 62.300 0.025 0.000 1.082 44 V CB -0.896 31.021 31.823 0.156 0.000 0.680 44 V HN -0.672 7.516 8.190 0.077 0.049 0.469 45 L N -2.557 118.506 121.223 -0.267 0.000 2.456 45 L HA -0.275 nan 4.340 nan 0.000 0.224 45 L C 0.924 177.584 176.870 -0.350 0.000 1.148 45 L CA 1.807 56.347 54.840 -0.499 0.000 0.825 45 L CB -0.627 41.092 42.059 -0.566 0.000 0.937 45 L HN -0.544 7.412 8.230 -0.230 0.136 0.450 46 Q N -4.499 115.176 119.800 -0.208 0.000 2.198 46 Q HA 0.020 nan 4.340 nan 0.000 0.209 46 Q C 0.251 176.182 176.000 -0.114 0.000 0.848 46 Q CA -1.264 54.448 55.803 -0.151 0.000 0.974 46 Q CB 0.451 29.125 28.738 -0.107 0.000 1.115 46 Q HN -0.216 7.754 8.270 -0.162 0.203 0.494 47 E N 1.606 121.736 120.200 -0.116 0.000 2.371 47 E HA -0.007 nan 4.350 nan 0.000 0.257 47 E C 0.670 177.230 176.600 -0.067 0.000 1.134 47 E CA -0.434 55.927 56.400 -0.065 0.000 0.919 47 E CB 0.674 30.359 29.700 -0.026 0.000 1.025 47 E HN -0.501 7.604 8.360 -0.156 0.161 0.438 48 S N 2.070 117.748 115.700 -0.037 0.000 2.419 48 S HA -0.310 nan 4.470 nan 0.000 0.235 48 S C 0.217 174.804 174.600 -0.021 0.000 1.019 48 S CA 2.629 60.811 58.200 -0.030 0.000 0.982 48 S CB -0.326 62.864 63.200 -0.017 0.000 0.789 48 S HN 0.452 8.746 8.310 -0.026 0.000 0.490 49 N N -2.887 115.811 118.700 -0.004 0.000 2.515 49 N HA -0.015 nan 4.740 nan 0.000 0.185 49 N C -0.607 174.912 175.510 0.015 0.000 1.109 49 N CA 0.204 53.271 53.050 0.027 0.000 0.903 49 N CB 0.303 38.832 38.487 0.071 0.000 0.969 49 N HN -0.106 8.237 8.380 -0.002 0.036 0.450 50 V N 2.336 122.203 119.914 -0.079 0.000 2.370 50 V HA 0.365 nan 4.120 nan 0.000 0.283 50 V C -2.118 173.900 176.094 -0.127 0.000 1.023 50 V CA -3.057 59.131 62.300 -0.186 0.000 0.857 50 V CB -0.230 31.289 31.823 -0.507 0.000 0.985 50 V HN -0.368 7.599 8.190 -0.092 0.168 0.443 51 P HA 0.068 nan 4.420 nan 0.000 0.271 51 P C -0.385 176.873 177.300 -0.070 0.000 1.233 51 P CA -0.549 62.538 63.100 -0.021 0.000 0.789 51 P CB 0.857 32.593 31.700 0.060 0.000 0.951 52 D N -1.426 118.933 120.400 -0.068 0.000 2.219 52 D HA -0.143 nan 4.640 nan 0.000 0.205 52 D C -0.338 175.909 176.300 -0.088 0.000 0.970 52 D CA 2.678 56.613 54.000 -0.108 0.000 0.851 52 D CB 0.147 40.857 40.800 -0.150 0.000 0.943 52 D HN 0.104 8.443 8.370 -0.050 0.000 0.488 53 L N -2.829 118.383 121.223 -0.019 0.000 2.446 53 L HA 0.381 nan 4.340 nan 0.000 0.268 53 L C -1.811 175.192 176.870 0.221 0.000 0.975 53 L CA -0.903 53.985 54.840 0.080 0.000 0.848 53 L CB 2.293 44.372 42.059 0.034 0.000 1.225 53 L HN -0.856 7.340 8.230 -0.003 0.033 0.410 54 V N 1.427 121.496 119.914 0.257 0.000 3.158 54 V HA 0.761 nan 4.120 nan 0.000 0.315 54 V C -2.665 173.640 176.094 0.350 0.000 1.148 54 V CA -3.077 59.393 62.300 0.283 0.000 1.042 54 V CB 4.145 36.040 31.823 0.119 0.000 1.101 54 V HN 0.437 8.742 8.190 0.191 0.000 0.448 55 W N 0.606 121.858 121.300 -0.081 0.000 2.538 55 W HA 0.563 nan 4.660 nan 0.000 0.322 55 W C -2.167 174.178 176.519 -0.289 0.000 1.028 55 W CA -1.860 55.233 57.345 -0.420 0.000 1.228 55 W CB 2.546 31.520 29.460 -0.810 0.000 1.356 55 W HN 0.560 8.778 8.180 0.232 0.102 0.452 56 T N 9.283 123.343 114.554 -0.823 0.000 2.867 56 T HA 0.510 nan 4.350 nan 0.000 0.282 56 T C -0.148 174.063 174.700 -0.814 0.000 1.000 56 T CA -1.929 59.811 62.100 -0.599 0.000 1.042 56 T CB 1.836 70.384 68.868 -0.533 0.000 0.973 56 T HN 0.964 8.493 8.240 -1.185 0.000 0.465 57 R N 4.212 124.524 120.500 -0.315 0.000 2.297 57 R HA 0.296 nan 4.340 nan 0.000 0.197 57 R C 0.492 176.702 176.300 -0.151 0.000 0.943 57 R CA 0.676 56.696 56.100 -0.132 0.000 1.038 57 R CB 0.470 30.787 30.300 0.029 0.000 0.957 57 R HN 0.018 8.424 8.270 -0.192 -0.251 0.484 58 C N -0.448 118.731 119.300 -0.201 0.000 2.649 58 C HA -0.006 nan 4.460 nan 0.000 0.377 58 C C -0.057 174.903 174.990 -0.050 0.000 1.321 58 C CA 0.883 59.830 59.018 -0.118 0.000 2.368 58 C CB -0.320 27.341 27.740 -0.131 0.000 2.597 58 C HN -0.465 7.551 8.230 -0.267 0.055 0.678 59 N N -0.647 118.067 118.700 0.022 0.000 2.716 59 N HA -0.471 nan 4.740 nan 0.000 0.250 59 N C -0.039 175.518 175.510 0.077 0.000 1.033 59 N CA 1.386 54.488 53.050 0.087 0.000 0.727 59 N CB -1.575 37.020 38.487 0.181 0.000 0.950 59 N HN 0.841 9.225 8.380 0.006 0.000 0.541 60 G N -5.948 102.874 108.800 0.037 0.000 2.241 60 G HA2 -0.363 nan 3.960 nan 0.000 0.244 60 G HA3 -0.363 nan 3.960 nan 0.000 0.244 60 G C -0.707 174.212 174.900 0.032 0.000 0.998 60 G CA -0.064 45.063 45.100 0.044 0.000 0.621 60 G HN 0.203 8.491 8.290 0.020 0.014 0.519 61 G N 0.992 109.737 108.800 -0.091 0.000 3.322 61 G HA2 -0.321 nan 3.960 nan 0.000 0.686 61 G HA3 -0.321 nan 3.960 nan 0.000 0.686 61 G C -2.616 171.792 174.900 -0.819 0.000 1.015 61 G CA -0.275 44.575 45.100 -0.416 0.000 0.826 61 G HN -0.286 7.781 8.290 -0.064 0.184 0.538 62 H N -3.318 114.730 119.070 -1.704 0.000 2.987 62 H HA 0.571 nan 4.556 nan 0.000 0.316 62 H C -1.650 172.970 175.328 -1.180 0.000 1.380 62 H CA -1.667 53.592 56.048 -1.316 0.000 1.160 62 H CB 1.901 31.390 29.762 -0.455 0.000 1.865 62 H HN 0.362 7.344 8.280 -2.164 0.000 0.521 63 W N -2.470 118.727 121.300 -0.172 0.000 2.183 63 W HA 0.495 nan 4.660 nan 0.000 0.348 63 W C 0.111 176.680 176.519 0.083 0.000 1.257 63 W CA -0.262 57.117 57.345 0.057 0.000 1.324 63 W CB 1.618 31.225 29.460 0.245 0.000 1.144 63 W HN 0.413 8.674 8.180 0.135 0.000 0.622 64 I N -0.450 120.313 120.570 0.322 0.000 2.571 64 I HA 0.308 nan 4.170 nan 0.000 0.286 64 I C -2.006 174.180 176.117 0.115 0.000 1.134 64 I CA -0.629 60.774 61.300 0.171 0.000 1.052 64 I CB 2.510 40.536 38.000 0.044 0.000 1.237 64 I HN 0.476 8.934 8.210 0.413 0.000 0.435 65 A N 7.819 130.680 122.820 0.067 0.000 2.362 65 A HA 0.411 nan 4.320 nan 0.000 0.276 65 A C -0.426 177.130 177.584 -0.047 0.000 1.153 65 A CA -0.050 51.988 52.037 0.001 0.000 0.813 65 A CB 0.731 19.710 19.000 -0.034 0.000 1.081 65 A HN 0.167 8.355 8.150 0.063 0.000 0.507 66 T N -1.618 112.883 114.554 -0.088 0.000 3.040 66 T HA 0.168 nan 4.350 nan 0.000 0.250 66 T C 0.445 175.078 174.700 -0.112 0.000 1.058 66 T CA -0.211 61.818 62.100 -0.119 0.000 0.988 66 T CB 0.753 69.516 68.868 -0.175 0.000 0.993 66 T HN 0.651 8.835 8.240 -0.094 0.000 0.519 67 R N 0.432 120.862 120.500 -0.117 0.000 2.589 67 R HA 0.321 nan 4.340 nan 0.000 0.293 67 R C 1.166 177.403 176.300 -0.105 0.000 0.963 67 R CA -2.617 53.414 56.100 -0.115 0.000 0.905 67 R CB 1.487 31.704 30.300 -0.139 0.000 1.144 67 R HN -0.737 7.458 8.270 -0.124 0.000 0.459 68 G N 2.685 111.431 108.800 -0.090 0.000 2.469 68 G HA2 -0.422 nan 3.960 nan 0.000 0.219 68 G HA3 -0.422 nan 3.960 nan 0.000 0.219 68 G C 0.710 175.552 174.900 -0.097 0.000 1.150 68 G CA 2.335 47.384 45.100 -0.085 0.000 0.763 68 G HN 0.656 9.219 8.290 -0.085 -0.324 0.561 69 Q N 1.052 120.794 119.800 -0.096 0.000 2.061 69 Q HA -0.267 nan 4.340 nan 0.000 0.204 69 Q C 2.362 178.311 176.000 -0.085 0.000 0.984 69 Q CA 2.930 58.684 55.803 -0.082 0.000 0.846 69 Q CB -0.265 28.426 28.738 -0.079 0.000 0.902 69 Q HN 0.228 8.433 8.270 -0.095 0.008 0.421 70 L N -1.071 120.057 121.223 -0.159 0.000 2.109 70 L HA -0.250 nan 4.340 nan 0.000 0.207 70 L C 2.182 179.029 176.870 -0.039 0.000 1.086 70 L CA 2.907 57.665 54.840 -0.136 0.000 0.760 70 L CB -0.258 41.633 42.059 -0.280 0.000 0.910 70 L HN -0.645 7.474 8.230 -0.184 0.000 0.437 71 I N -0.424 120.090 120.570 -0.094 0.000 2.179 71 I HA -0.650 nan 4.170 nan 0.000 0.242 71 I C 2.065 178.149 176.117 -0.055 0.000 1.088 71 I CA 4.489 65.716 61.300 -0.122 0.000 1.357 71 I CB -0.471 37.504 38.000 -0.041 0.000 1.051 71 I HN -0.070 8.081 8.210 -0.099 0.000 0.409 72 R N -1.342 119.120 120.500 -0.064 0.000 2.081 72 R HA -0.392 nan 4.340 nan 0.000 0.235 72 R C 2.454 178.831 176.300 0.129 0.000 1.131 72 R CA 3.944 59.969 56.100 -0.125 0.000 0.960 72 R CB -0.376 29.705 30.300 -0.365 0.000 0.856 72 R HN 0.053 8.267 8.270 -0.093 0.000 0.436 73 E N -0.408 119.858 120.200 0.109 0.000 2.058 73 E HA -0.360 nan 4.350 nan 0.000 0.194 73 E C 2.343 179.009 176.600 0.110 0.000 0.997 73 E CA 2.883 59.407 56.400 0.206 0.000 0.801 73 E CB -0.151 29.765 29.700 0.361 0.000 0.746 73 E HN -0.526 7.871 8.360 0.062 0.000 0.450 74 A N -1.003 121.709 122.820 -0.179 0.000 1.902 74 A HA -0.176 nan 4.320 nan 0.000 0.217 74 A C 2.049 179.443 177.584 -0.317 0.000 1.181 74 A CA 2.696 54.271 52.037 -0.771 0.000 0.623 74 A CB -0.501 17.694 19.000 -1.341 0.000 0.818 74 A HN -0.139 7.940 8.150 -0.118 0.000 0.443 75 Y N -3.449 116.842 120.300 -0.015 0.000 2.352 75 Y HA -0.273 nan 4.550 nan 0.000 0.292 75 Y C 1.754 177.788 175.900 0.223 0.000 1.136 75 Y CA 2.098 60.281 58.100 0.137 0.000 1.227 75 Y CB -0.367 38.219 38.460 0.211 0.000 0.991 75 Y HN -0.450 7.762 8.280 -0.112 0.000 0.545 76 E N -2.599 117.826 120.200 0.374 0.000 2.170 76 E HA -0.182 nan 4.350 nan 0.000 0.191 76 E C 0.788 177.544 176.600 0.260 0.000 0.981 76 E CA 1.609 58.193 56.400 0.306 0.000 0.830 76 E CB 0.419 30.280 29.700 0.268 0.000 0.775 76 E HN -0.735 7.707 8.360 0.338 0.121 0.470 77 D N 0.594 121.134 120.400 0.234 0.000 2.631 77 D HA 0.123 nan 4.640 nan 0.000 0.227 77 D C 0.071 176.458 176.300 0.145 0.000 1.146 77 D CA -2.176 51.909 54.000 0.142 0.000 1.009 77 D CB -1.341 39.633 40.800 0.290 0.000 1.057 77 D HN -0.546 7.875 8.370 0.241 0.094 0.509 78 Y N 0.016 120.413 120.300 0.163 0.000 2.421 78 Y HA -0.205 nan 4.550 nan 0.000 0.292 78 Y C 0.348 176.259 175.900 0.019 0.000 1.136 78 Y CA 1.723 59.907 58.100 0.139 0.000 1.255 78 Y CB -0.691 37.855 38.460 0.143 0.000 0.991 78 Y HN -0.552 7.702 8.280 0.035 0.048 0.552 79 R N -0.996 119.178 120.500 -0.543 0.000 2.091 79 R HA -0.316 nan 4.340 nan 0.000 0.238 79 R C 1.463 177.453 176.300 -0.517 0.000 1.136 79 R CA 2.400 58.191 56.100 -0.516 0.000 0.959 79 R CB -0.351 29.534 30.300 -0.691 0.000 0.856 79 R HN -0.056 7.708 8.270 -0.889 -0.027 0.437 80 H N -3.048 115.762 119.070 -0.433 0.000 2.516 80 H HA 0.048 nan 4.556 nan 0.000 0.284 80 H C 0.660 175.552 175.328 -0.727 0.000 0.999 80 H CA 2.147 57.756 56.048 -0.732 0.000 1.303 80 H CB 1.692 30.659 29.762 -1.325 0.000 1.452 80 H HN -0.666 7.528 8.280 -0.402 -0.155 0.530 81 F N -0.818 119.116 119.950 -0.027 0.000 2.291 81 F HA 0.338 nan 4.527 nan 0.000 0.368 81 F C -1.743 174.092 175.800 0.058 0.000 1.085 81 F CA -1.644 56.352 58.000 -0.007 0.000 1.165 81 F CB -0.661 38.300 39.000 -0.066 0.000 1.429 81 F HN -0.161 8.157 8.300 0.030 0.000 0.503 82 S N 2.462 118.260 115.700 0.164 0.000 2.562 82 S HA 0.133 nan 4.470 nan 0.000 0.275 82 S C 1.307 175.978 174.600 0.119 0.000 1.281 82 S CA -1.502 56.786 58.200 0.147 0.000 1.045 82 S CB 1.154 64.408 63.200 0.089 0.000 0.962 82 S HN 0.459 8.830 8.310 0.102 0.000 0.503 83 S N 9.039 124.795 115.700 0.094 0.000 2.603 83 S HA -0.068 nan 4.470 nan 0.000 0.220 83 S C 0.500 175.101 174.600 0.001 0.000 0.967 83 S CA 2.448 60.650 58.200 0.003 0.000 0.920 83 S CB 0.066 63.188 63.200 -0.130 0.000 0.773 83 S HN 0.584 9.364 8.310 0.128 -0.393 0.529 84 E N 1.484 121.706 120.200 0.036 0.000 2.171 84 E HA -0.236 nan 4.350 nan 0.000 0.197 84 E C -0.824 175.780 176.600 0.007 0.000 0.997 84 E CA 2.049 58.467 56.400 0.031 0.000 0.810 84 E CB 0.588 30.310 29.700 0.037 0.000 0.738 84 E HN -0.443 7.884 8.360 0.057 0.068 0.467 85 C N -1.201 118.094 119.300 -0.009 0.000 3.328 85 C HA 0.429 nan 4.460 nan 0.000 0.230 85 C C -2.451 172.507 174.990 -0.055 0.000 1.232 85 C CA -3.912 55.082 59.018 -0.039 0.000 1.431 85 C CB -0.348 27.392 27.740 -0.001 0.000 1.818 85 C HN -0.455 7.755 8.230 0.011 0.026 0.484 86 P HA 0.100 nan 4.420 nan 0.000 0.251 86 P C -1.717 175.632 177.300 0.082 0.000 1.223 86 P CA 0.579 63.630 63.100 -0.082 0.000 0.796 86 P CB 0.732 32.310 31.700 -0.202 0.000 1.068 87 F N -1.635 118.086 119.950 -0.382 0.000 2.492 87 F HA 0.244 nan 4.527 nan 0.000 0.327 87 F C -1.321 174.340 175.800 -0.231 0.000 1.079 87 F CA -2.466 55.333 58.000 -0.334 0.000 0.967 87 F CB 2.467 41.178 39.000 -0.480 0.000 1.169 87 F HN -0.563 7.627 8.300 -0.102 0.048 0.472 88 I N 2.279 122.800 120.570 -0.082 0.000 2.441 88 I HA 0.321 nan 4.170 nan 0.000 0.295 88 I C -1.621 174.533 176.117 0.062 0.000 0.994 88 I CA -4.447 56.782 61.300 -0.118 0.000 1.144 88 I CB 2.244 40.021 38.000 -0.372 0.000 1.314 88 I HN 0.290 8.395 8.210 -0.176 0.000 0.445 89 P HA 0.407 nan 4.420 nan 0.000 0.275 89 P C 0.265 177.562 177.300 -0.006 0.000 1.266 89 P CA -0.523 62.592 63.100 0.024 0.000 0.793 89 P CB 1.016 32.743 31.700 0.045 0.000 1.074 90 R N 1.369 121.870 120.500 0.001 0.000 2.133 90 R HA -0.555 nan 4.340 nan 0.000 0.245 90 R C 1.603 177.897 176.300 -0.010 0.000 1.137 90 R CA 3.851 59.954 56.100 0.005 0.000 0.947 90 R CB -0.682 29.637 30.300 0.031 0.000 0.865 90 R HN 0.594 8.871 8.270 0.012 0.000 0.437 91 E N -1.769 118.432 120.200 0.002 0.000 2.118 91 E HA -0.331 nan 4.350 nan 0.000 0.195 91 E C 1.974 178.557 176.600 -0.029 0.000 0.992 91 E CA 3.208 59.611 56.400 0.006 0.000 0.804 91 E CB -1.217 28.500 29.700 0.028 0.000 0.741 91 E HN 0.277 8.635 8.360 0.012 0.010 0.458 92 A N -0.717 122.056 122.820 -0.079 0.000 1.854 92 A HA -0.050 nan 4.320 nan 0.000 0.214 92 A C 2.110 179.408 177.584 -0.478 0.000 1.192 92 A CA 2.751 54.598 52.037 -0.316 0.000 0.611 92 A CB -0.709 18.176 19.000 -0.192 0.000 0.832 92 A HN -0.285 7.722 8.150 -0.039 0.120 0.442 93 G N -2.133 106.531 108.800 -0.227 0.000 2.462 93 G HA2 -0.312 nan 3.960 nan 0.000 0.220 93 G HA3 -0.312 nan 3.960 nan 0.000 0.220 93 G C 1.189 175.998 174.900 -0.151 0.000 1.121 93 G CA 1.601 46.576 45.100 -0.208 0.000 0.758 93 G HN -0.137 8.080 8.290 -0.122 0.000 0.559 94 E N 1.163 121.305 120.200 -0.097 0.000 2.076 94 E HA -0.177 nan 4.350 nan 0.000 0.190 94 E C 1.593 178.176 176.600 -0.028 0.000 0.979 94 E CA 1.269 57.646 56.400 -0.039 0.000 0.807 94 E CB 0.267 29.962 29.700 -0.009 0.000 0.761 94 E HN -0.206 8.073 8.360 -0.093 0.024 0.454 95 A N -0.841 121.960 122.820 -0.031 0.000 2.066 95 A HA -0.135 nan 4.320 nan 0.000 0.218 95 A C -0.346 177.259 177.584 0.036 0.000 1.157 95 A CA 0.919 52.987 52.037 0.052 0.000 0.670 95 A CB 0.467 19.584 19.000 0.196 0.000 0.804 95 A HN -0.650 7.462 8.150 -0.064 0.000 0.453 96 Y N 0.983 121.092 120.300 -0.318 0.000 2.605 96 Y HA -0.307 nan 4.550 nan 0.000 0.336 96 Y C -1.581 174.140 175.900 -0.298 0.000 1.111 96 Y CA 0.950 58.764 58.100 -0.476 0.000 1.422 96 Y CB 0.132 38.058 38.460 -0.890 0.000 1.193 96 Y HN -0.346 7.772 8.280 -0.213 0.035 0.526 97 D N 5.309 125.415 120.400 -0.490 0.000 2.582 97 D HA -0.048 nan 4.640 nan 0.000 0.246 97 D C -1.261 174.960 176.300 -0.133 0.000 1.334 97 D CA -1.470 52.417 54.000 -0.190 0.000 0.805 97 D CB -0.066 40.724 40.800 -0.017 0.000 1.087 97 D HN 0.104 8.034 8.370 -0.732 0.000 0.499 98 F N -0.375 119.250 119.950 -0.542 0.000 2.589 98 F HA 0.001 nan 4.527 nan 0.000 0.352 98 F C -0.243 175.473 175.800 -0.140 0.000 1.168 98 F CA -0.894 56.910 58.000 -0.327 0.000 1.353 98 F CB 0.240 38.964 39.000 -0.460 0.000 1.116 98 F HN -0.344 7.090 8.300 -1.444 0.000 0.608 99 I N 1.687 122.323 120.570 0.109 0.000 2.474 99 I HA 0.165 nan 4.170 nan 0.000 0.294 99 I C -1.951 174.213 176.117 0.078 0.000 1.005 99 I CA -2.933 58.366 61.300 -0.002 0.000 1.113 99 I CB 1.702 39.593 38.000 -0.181 0.000 1.289 99 I HN -0.501 7.671 8.210 0.106 0.101 0.436 100 P HA 0.180 nan 4.420 nan 0.000 0.255 100 P C 0.585 178.053 177.300 0.279 0.000 1.248 100 P CA 0.488 63.667 63.100 0.133 0.000 0.807 100 P CB 0.413 32.201 31.700 0.146 0.000 1.150 101 T N -4.835 109.901 114.554 0.303 0.000 2.897 101 T HA -0.268 nan 4.350 nan 0.000 0.271 101 T C 1.052 175.854 174.700 0.171 0.000 1.084 101 T CA 2.914 65.175 62.100 0.268 0.000 1.123 101 T CB -1.366 67.721 68.868 0.364 0.000 0.865 101 T HN 0.225 8.569 8.240 0.278 0.063 0.496 102 S N 0.623 116.460 115.700 0.228 0.000 2.605 102 S HA 0.004 nan 4.470 nan 0.000 0.217 102 S C -0.109 174.543 174.600 0.086 0.000 0.958 102 S CA 1.037 59.332 58.200 0.157 0.000 0.919 102 S CB 0.660 63.956 63.200 0.160 0.000 0.780 102 S HN -0.283 8.130 8.310 0.215 0.026 0.507 103 M N 2.151 121.824 119.600 0.122 0.000 2.602 103 M HA 0.131 nan 4.480 nan 0.000 0.312 103 M C -2.011 174.408 176.300 0.198 0.000 1.181 103 M CA -0.053 55.312 55.300 0.108 0.000 0.910 103 M CB 3.417 36.041 32.600 0.041 0.000 1.723 103 M HN -0.545 7.781 8.290 0.194 0.081 0.459 104 D N 1.183 121.654 120.400 0.119 0.000 2.326 104 D HA 0.512 nan 4.640 nan 0.000 0.248 104 D C -1.747 174.482 176.300 -0.118 0.000 1.001 104 D CA -2.521 51.522 54.000 0.072 0.000 0.961 104 D CB 1.116 41.985 40.800 0.115 0.000 1.183 104 D HN 0.330 8.749 8.370 0.082 0.000 0.502 105 P HA 0.084 nan 4.420 nan 0.000 0.269 105 P C -1.515 175.648 177.300 -0.229 0.000 1.215 105 P CA -1.305 61.531 63.100 -0.440 0.000 0.780 105 P CB -0.102 31.099 31.700 -0.832 0.000 0.898 106 P HA 0.008 nan 4.420 nan 0.000 0.251 106 P C 0.623 177.914 177.300 -0.014 0.000 1.223 106 P CA 0.881 63.944 63.100 -0.061 0.000 0.796 106 P CB 0.949 32.643 31.700 -0.010 0.000 1.068 107 E N 0.749 120.958 120.200 0.016 0.000 2.049 107 E HA -0.452 nan 4.350 nan 0.000 0.198 107 E C 1.559 178.251 176.600 0.153 0.000 1.007 107 E CA 3.238 59.691 56.400 0.089 0.000 0.809 107 E CB -0.272 29.473 29.700 0.076 0.000 0.749 107 E HN -0.203 8.105 8.360 0.002 0.053 0.450 108 Q N -2.952 116.891 119.800 0.072 0.000 2.248 108 Q HA -0.354 nan 4.340 nan 0.000 0.208 108 Q C 1.911 177.981 176.000 0.116 0.000 0.984 108 Q CA 2.126 57.984 55.803 0.093 0.000 0.875 108 Q CB -1.174 27.533 28.738 -0.052 0.000 0.910 108 Q HN -0.503 7.774 8.270 0.012 0.000 0.433 109 R N 0.214 120.733 120.500 0.031 0.000 2.143 109 R HA -0.520 nan 4.340 nan 0.000 0.239 109 R C 2.257 178.560 176.300 0.006 0.000 1.126 109 R CA 3.490 59.588 56.100 -0.005 0.000 0.927 109 R CB -0.553 29.731 30.300 -0.027 0.000 0.860 109 R HN -0.566 7.662 8.270 0.002 0.043 0.433 110 Q N -2.823 116.967 119.800 -0.016 0.000 2.084 110 Q HA -0.286 nan 4.340 nan 0.000 0.202 110 Q C 2.918 178.813 176.000 -0.176 0.000 0.978 110 Q CA 3.026 58.741 55.803 -0.146 0.000 0.844 110 Q CB -0.418 28.149 28.738 -0.286 0.000 0.898 110 Q HN 0.048 8.328 8.270 0.018 0.000 0.426 111 F N -1.167 118.772 119.950 -0.018 0.000 2.186 111 F HA -0.258 nan 4.527 nan 0.000 0.299 111 F C 2.058 177.853 175.800 -0.009 0.000 1.090 111 F CA 3.330 61.326 58.000 -0.007 0.000 1.307 111 F CB -0.461 38.543 39.000 0.008 0.000 1.019 111 F HN -0.914 7.529 8.300 0.256 0.010 0.489 112 R N 0.190 120.782 120.500 0.154 0.000 2.096 112 R HA -0.434 nan 4.340 nan 0.000 0.235 112 R C 1.904 178.224 176.300 0.034 0.000 1.127 112 R CA 3.402 59.544 56.100 0.069 0.000 0.968 112 R CB -0.199 30.103 30.300 0.003 0.000 0.861 112 R HN 0.425 8.707 8.270 0.161 0.083 0.440 113 A N -0.942 121.883 122.820 0.007 0.000 1.902 113 A HA -0.243 nan 4.320 nan 0.000 0.217 113 A C 2.160 179.738 177.584 -0.010 0.000 1.181 113 A CA 2.937 54.966 52.037 -0.014 0.000 0.623 113 A CB -0.865 18.112 19.000 -0.038 0.000 0.818 113 A HN -0.399 7.744 8.150 0.004 0.009 0.443 114 L N -1.334 119.883 121.223 -0.011 0.000 2.027 114 L HA -0.321 nan 4.340 nan 0.000 0.206 114 L C 1.711 178.594 176.870 0.022 0.000 1.074 114 L CA 2.492 57.328 54.840 -0.006 0.000 0.745 114 L CB -0.529 41.520 42.059 -0.016 0.000 0.898 114 L HN -0.778 7.444 8.230 -0.015 0.000 0.433 115 A N -2.210 120.640 122.820 0.049 0.000 1.940 115 A HA -0.469 nan 4.320 nan 0.000 0.219 115 A C 2.015 179.622 177.584 0.039 0.000 1.176 115 A CA 3.115 55.184 52.037 0.054 0.000 0.631 115 A CB -0.958 18.084 19.000 0.070 0.000 0.814 115 A HN -0.125 8.065 8.150 0.068 0.000 0.446 116 N N -2.744 115.974 118.700 0.030 0.000 2.223 116 N HA -0.311 nan 4.740 nan 0.000 0.185 116 N C 2.164 177.686 175.510 0.019 0.000 1.016 116 N CA 2.786 55.851 53.050 0.026 0.000 0.863 116 N CB 0.035 38.533 38.487 0.019 0.000 0.983 116 N HN -0.007 8.302 8.380 0.029 0.087 0.429 117 Q N -3.410 116.395 119.800 0.008 0.000 2.226 117 Q HA -0.260 nan 4.340 nan 0.000 0.204 117 Q C 0.917 176.918 176.000 0.002 0.000 0.975 117 Q CA 2.584 58.386 55.803 -0.001 0.000 0.866 117 Q CB 0.343 29.076 28.738 -0.009 0.000 0.915 117 Q HN -0.304 7.845 8.270 0.007 0.125 0.440 118 V N -9.721 110.200 119.914 0.012 0.000 2.992 118 V HA 0.209 nan 4.120 nan 0.000 0.250 118 V C 0.837 176.945 176.094 0.024 0.000 1.090 118 V CA 0.768 63.075 62.300 0.012 0.000 1.101 118 V CB 0.973 32.806 31.823 0.016 0.000 0.743 118 V HN -0.613 7.444 8.190 0.018 0.144 0.468 119 V N -7.141 112.797 119.914 0.039 0.000 3.252 119 V HA 0.539 nan 4.120 nan 0.000 0.320 119 V C 0.155 176.282 176.094 0.056 0.000 1.459 119 V CA -1.268 61.063 62.300 0.052 0.000 1.095 119 V CB -0.381 31.485 31.823 0.071 0.000 0.997 119 V HN -0.391 7.821 8.190 0.038 0.000 0.469 120 G N -0.345 108.485 108.800 0.050 0.000 2.653 120 G HA2 0.108 nan 3.960 nan 0.000 0.265 120 G HA3 0.108 nan 3.960 nan 0.000 0.265 120 G C -0.163 174.764 174.900 0.046 0.000 1.237 120 G CA -0.393 44.750 45.100 0.071 0.000 0.946 120 G HN -0.406 7.904 8.290 0.034 0.000 0.522 121 M N 0.172 119.760 119.600 -0.019 0.000 2.082 121 M HA -0.218 nan 4.480 nan 0.000 0.258 121 M C -1.003 175.257 176.300 -0.066 0.000 1.069 121 M CA 4.251 59.475 55.300 -0.126 0.000 1.102 121 M CB -1.956 30.447 32.600 -0.330 0.000 1.336 121 M HN 0.600 8.878 8.290 -0.020 0.000 0.404 122 P HA -0.242 nan 4.420 nan 0.000 0.215 122 P C 1.486 178.774 177.300 -0.020 0.000 1.153 122 P CA 3.199 66.277 63.100 -0.036 0.000 0.853 122 P CB -0.916 30.765 31.700 -0.031 0.000 0.788 123 V N -2.084 117.823 119.914 -0.012 0.000 2.343 123 V HA -0.360 nan 4.120 nan 0.000 0.247 123 V C 2.214 178.308 176.094 -0.001 0.000 1.051 123 V CA 4.043 66.339 62.300 -0.007 0.000 1.036 123 V CB -0.767 31.055 31.823 -0.001 0.000 0.654 123 V HN -0.555 7.629 8.190 -0.010 0.000 0.451 124 V N 0.215 120.134 119.914 0.007 0.000 2.343 124 V HA -0.536 nan 4.120 nan 0.000 0.247 124 V C 1.828 177.929 176.094 0.011 0.000 1.051 124 V CA 4.266 66.576 62.300 0.017 0.000 1.036 124 V CB -1.042 30.802 31.823 0.035 0.000 0.654 124 V HN -0.327 7.792 8.190 0.008 0.076 0.451 125 D N -1.466 118.933 120.400 -0.002 0.000 2.144 125 D HA -0.226 nan 4.640 nan 0.000 0.199 125 D C 3.032 179.333 176.300 0.001 0.000 0.984 125 D CA 3.167 57.166 54.000 -0.003 0.000 0.834 125 D CB -0.512 40.279 40.800 -0.016 0.000 0.955 125 D HN 0.108 8.397 8.370 -0.012 0.073 0.465 126 K N 0.543 120.941 120.400 -0.003 0.000 2.097 126 K HA -0.178 nan 4.320 nan 0.000 0.205 126 K C 1.950 178.550 176.600 0.001 0.000 1.050 126 K CA 2.634 58.918 56.287 -0.004 0.000 0.938 126 K CB 0.188 32.682 32.500 -0.010 0.000 0.718 126 K HN -0.121 8.036 8.250 -0.007 0.089 0.442 127 L N -3.000 118.225 121.223 0.003 0.000 2.592 127 L HA 0.135 nan 4.340 nan 0.000 0.227 127 L C 0.666 177.551 176.870 0.024 0.000 1.127 127 L CA 0.143 54.986 54.840 0.006 0.000 0.884 127 L CB -0.194 41.862 42.059 -0.005 0.000 1.065 127 L HN -0.147 7.998 8.230 0.002 0.086 0.457 128 E N 1.404 121.622 120.200 0.031 0.000 2.114 128 E HA -0.538 nan 4.350 nan 0.000 0.199 128 E C 1.550 178.187 176.600 0.060 0.000 1.008 128 E CA 4.332 60.762 56.400 0.051 0.000 0.810 128 E CB -0.518 29.208 29.700 0.044 0.000 0.739 128 E HN -0.212 7.998 8.360 0.022 0.163 0.456 129 N N -1.812 116.915 118.700 0.044 0.000 2.166 129 N HA -0.289 nan 4.740 nan 0.000 0.186 129 N C 2.342 177.886 175.510 0.056 0.000 1.019 129 N CA 2.918 55.996 53.050 0.045 0.000 0.856 129 N CB -0.327 38.178 38.487 0.030 0.000 0.993 129 N HN 0.272 8.664 8.380 0.032 0.007 0.426 130 R N -0.375 120.154 120.500 0.049 0.000 2.092 130 R HA -0.198 nan 4.340 nan 0.000 0.231 130 R C 2.303 178.660 176.300 0.096 0.000 1.119 130 R CA 1.755 57.887 56.100 0.054 0.000 0.970 130 R CB -0.959 29.357 30.300 0.026 0.000 0.864 130 R HN -0.563 7.729 8.270 0.036 0.000 0.440 131 I N 1.014 121.650 120.570 0.110 0.000 2.142 131 I HA -0.537 nan 4.170 nan 0.000 0.240 131 I C 1.728 178.024 176.117 0.297 0.000 1.078 131 I CA 4.292 65.716 61.300 0.206 0.000 1.343 131 I CB -0.400 37.699 38.000 0.165 0.000 1.046 131 I HN 0.083 8.263 8.210 0.078 0.076 0.405 132 Q N -0.846 119.065 119.800 0.184 0.000 2.096 132 Q HA -0.419 nan 4.340 nan 0.000 0.204 132 Q C 1.879 177.951 176.000 0.119 0.000 0.982 132 Q CA 3.260 59.147 55.803 0.141 0.000 0.850 132 Q CB -0.580 28.214 28.738 0.093 0.000 0.901 132 Q HN 0.211 8.566 8.270 0.142 0.000 0.422 133 E N -0.331 119.933 120.200 0.107 0.000 2.058 133 E HA -0.351 nan 4.350 nan 0.000 0.194 133 E C 2.332 178.993 176.600 0.101 0.000 0.997 133 E CA 3.003 59.453 56.400 0.083 0.000 0.801 133 E CB -0.057 29.682 29.700 0.065 0.000 0.746 133 E HN -0.323 8.099 8.360 0.104 0.000 0.450 134 L N -0.519 120.797 121.223 0.156 0.000 2.056 134 L HA -0.297 nan 4.340 nan 0.000 0.207 134 L C 1.582 178.552 176.870 0.167 0.000 1.078 134 L CA 2.862 57.814 54.840 0.186 0.000 0.749 134 L CB -0.656 41.557 42.059 0.257 0.000 0.901 134 L HN -0.203 8.133 8.230 0.176 0.000 0.433 135 A N -0.494 122.409 122.820 0.138 0.000 1.865 135 A HA -0.411 nan 4.320 nan 0.000 0.217 135 A C 1.992 179.593 177.584 0.028 0.000 1.191 135 A CA 3.508 55.485 52.037 -0.101 0.000 0.623 135 A CB -1.160 17.722 19.000 -0.196 0.000 0.826 135 A HN 0.035 8.349 8.150 0.274 0.000 0.444 136 C N -1.958 117.358 119.300 0.027 0.000 2.413 136 C HA -0.388 nan 4.460 nan 0.000 0.276 136 C C 2.094 177.088 174.990 0.008 0.000 1.248 136 C CA 4.264 63.284 59.018 0.003 0.000 1.742 136 C CB -2.355 25.391 27.740 0.009 0.000 2.017 136 C HN -0.163 8.094 8.230 0.045 0.000 0.481 137 S N 0.258 115.979 115.700 0.036 0.000 2.348 137 S HA -0.348 nan 4.470 nan 0.000 0.221 137 S C 2.015 176.642 174.600 0.045 0.000 1.033 137 S CA 3.648 61.870 58.200 0.037 0.000 1.010 137 S CB -0.055 63.174 63.200 0.049 0.000 0.891 137 S HN -0.296 8.044 8.310 0.051 0.000 0.442 138 L N 0.985 122.257 121.223 0.082 0.000 2.042 138 L HA -0.302 nan 4.340 nan 0.000 0.210 138 L C 2.189 179.127 176.870 0.113 0.000 1.076 138 L CA 3.149 58.064 54.840 0.124 0.000 0.749 138 L CB -0.420 41.744 42.059 0.175 0.000 0.893 138 L HN 0.097 8.381 8.230 0.090 0.000 0.432 139 I N -1.587 119.016 120.570 0.054 0.000 2.202 139 I HA -0.583 nan 4.170 nan 0.000 0.242 139 I C 1.839 177.841 176.117 -0.192 0.000 1.091 139 I CA 4.425 65.621 61.300 -0.174 0.000 1.368 139 I CB -0.283 37.528 38.000 -0.315 0.000 1.058 139 I HN -0.218 8.043 8.210 0.086 0.000 0.410 140 E N -0.063 120.071 120.200 -0.110 0.000 2.153 140 E HA -0.367 nan 4.350 nan 0.000 0.194 140 E C 1.453 178.032 176.600 -0.035 0.000 0.988 140 E CA 2.568 58.919 56.400 -0.082 0.000 0.811 140 E CB -0.594 29.077 29.700 -0.049 0.000 0.746 140 E HN -0.012 8.304 8.360 -0.073 0.000 0.466 141 S N -2.161 113.535 115.700 -0.005 0.000 2.383 141 S HA -0.164 nan 4.470 nan 0.000 0.227 141 S C 1.447 176.078 174.600 0.051 0.000 1.026 141 S CA 2.428 60.644 58.200 0.026 0.000 0.981 141 S CB 0.040 63.266 63.200 0.042 0.000 0.818 141 S HN -0.508 7.784 8.310 -0.003 0.016 0.472 142 L N -1.144 120.115 121.223 0.060 0.000 2.209 142 L HA -0.053 nan 4.340 nan 0.000 0.207 142 L C 1.657 178.690 176.870 0.273 0.000 1.094 142 L CA 1.667 56.606 54.840 0.165 0.000 0.790 142 L CB 0.019 42.202 42.059 0.208 0.000 0.932 142 L HN -0.950 7.192 8.230 0.018 0.099 0.447 143 R N 0.526 121.073 120.500 0.078 0.000 2.159 143 R HA -0.289 nan 4.340 nan 0.000 0.249 143 R C -0.926 175.567 176.300 0.321 0.000 1.136 143 R CA 5.510 61.672 56.100 0.103 0.000 0.951 143 R CB -1.858 28.375 30.300 -0.113 0.000 0.876 143 R HN 0.528 8.762 8.270 -0.060 0.000 0.440 144 P HA 0.140 nan 4.420 nan 0.000 0.241 144 P C 0.375 177.701 177.300 0.044 0.000 1.191 144 P CA 1.615 64.778 63.100 0.105 0.000 0.771 144 P CB -0.697 31.032 31.700 0.049 0.000 0.929 145 Q N -1.878 117.943 119.800 0.034 0.000 2.172 145 Q HA -0.108 nan 4.340 nan 0.000 0.200 145 Q C 1.123 176.910 176.000 -0.355 0.000 0.964 145 Q CA 0.928 56.667 55.803 -0.108 0.000 0.855 145 Q CB 0.263 28.959 28.738 -0.070 0.000 0.918 145 Q HN 0.193 8.377 8.270 0.135 0.168 0.444 146 G N -1.936 106.440 108.800 -0.706 0.000 2.148 146 G HA2 -0.450 nan 3.960 nan 0.000 0.254 146 G HA3 -0.450 nan 3.960 nan 0.000 0.254 146 G C -1.812 172.123 174.900 -1.608 0.000 0.981 146 G CA 0.060 44.342 45.100 -1.364 0.000 0.670 146 G HN -0.195 7.868 8.290 -0.380 0.000 0.528 147 Q N -5.311 113.530 119.800 -1.598 0.000 2.776 147 Q HA 0.768 nan 4.340 nan 0.000 0.289 147 Q C -2.521 173.261 176.000 -0.363 0.000 0.912 147 Q CA -1.085 54.194 55.803 -0.873 0.000 0.789 147 Q CB 3.608 32.118 28.738 -0.379 0.000 1.498 147 Q HN -0.622 6.778 8.270 -1.372 0.047 0.408 148 C N -3.140 116.188 119.300 0.047 0.000 3.224 148 C HA 0.299 nan 4.460 nan 0.000 0.348 148 C C -1.810 173.327 174.990 0.244 0.000 1.242 148 C CA -0.934 58.224 59.018 0.235 0.000 1.180 148 C CB 3.684 31.724 27.740 0.502 0.000 1.458 148 C HN 0.394 8.666 8.230 0.070 0.000 0.485 149 N N 1.884 120.701 118.700 0.194 0.000 2.801 149 N HA 0.450 nan 4.740 nan 0.000 0.235 149 N C 0.512 176.142 175.510 0.201 0.000 1.069 149 N CA -1.148 52.003 53.050 0.167 0.000 0.946 149 N CB -0.671 37.878 38.487 0.102 0.000 1.212 149 N HN 0.221 9.025 8.380 0.164 -0.326 0.509 150 F N 5.733 125.742 119.950 0.099 0.000 2.111 150 F HA -0.495 nan 4.527 nan 0.000 0.300 150 F C 0.823 176.658 175.800 0.058 0.000 1.088 150 F CA 5.271 63.308 58.000 0.062 0.000 1.243 150 F CB 0.253 39.211 39.000 -0.070 0.000 0.996 150 F HN 0.362 8.886 8.300 0.374 0.000 0.483 151 T N -5.235 109.388 114.554 0.115 0.000 2.708 151 T HA -0.452 nan 4.350 nan 0.000 0.266 151 T C 1.960 176.632 174.700 -0.047 0.000 1.037 151 T CA 3.707 65.815 62.100 0.013 0.000 1.146 151 T CB -0.731 68.158 68.868 0.035 0.000 0.865 151 T HN 0.346 8.681 8.240 0.188 0.018 0.435 152 E N -0.155 120.041 120.200 -0.007 0.000 2.340 152 E HA -0.015 nan 4.350 nan 0.000 0.194 152 E C 1.546 178.139 176.600 -0.010 0.000 0.996 152 E CA 1.903 58.298 56.400 -0.007 0.000 0.869 152 E CB -0.152 29.560 29.700 0.019 0.000 0.835 152 E HN -0.518 7.860 8.360 0.030 0.000 0.493 153 D N -1.644 118.758 120.400 0.003 0.000 2.333 153 D HA -0.020 nan 4.640 nan 0.000 0.208 153 D C -0.382 175.946 176.300 0.048 0.000 0.984 153 D CA 1.839 55.870 54.000 0.051 0.000 0.873 153 D CB 0.839 41.723 40.800 0.140 0.000 0.935 153 D HN 0.025 8.400 8.370 0.008 0.000 0.521 154 Y N -1.994 118.127 120.300 -0.299 0.000 3.032 154 Y HA 0.022 nan 4.550 nan 0.000 0.232 154 Y C -0.148 175.519 175.900 -0.388 0.000 1.099 154 Y CA 1.861 59.742 58.100 -0.365 0.000 1.328 154 Y CB 1.789 39.919 38.460 -0.550 0.000 1.432 154 Y HN -0.482 7.663 8.280 -0.225 0.000 0.433 155 A N 0.324 122.839 122.820 -0.508 0.000 1.927 155 A HA -0.377 nan 4.320 nan 0.000 0.220 155 A C 1.512 179.030 177.584 -0.109 0.000 1.185 155 A CA 3.410 55.316 52.037 -0.218 0.000 0.639 155 A CB -0.619 18.299 19.000 -0.136 0.000 0.820 155 A HN 0.234 7.817 8.150 -0.945 0.000 0.451 156 E N -2.900 117.227 120.200 -0.122 0.000 2.030 156 E HA 0.093 nan 4.350 nan 0.000 0.189 156 E C -0.408 176.141 176.600 -0.084 0.000 0.974 156 E CA 3.049 59.403 56.400 -0.076 0.000 0.807 156 E CB -1.207 28.463 29.700 -0.051 0.000 0.771 156 E HN -0.558 7.710 8.360 -0.148 0.003 0.451 157 P HA -0.209 nan 4.420 nan 0.000 0.215 157 P C 1.388 178.635 177.300 -0.089 0.000 1.153 157 P CA 2.524 65.578 63.100 -0.076 0.000 0.853 157 P CB -0.238 31.427 31.700 -0.059 0.000 0.788 158 F N 0.220 119.936 119.950 -0.389 0.000 2.025 158 F HA -0.239 nan 4.527 nan 0.000 0.297 158 F C -1.461 174.230 175.800 -0.182 0.000 1.132 158 F CA 4.636 62.392 58.000 -0.407 0.000 1.191 158 F CB -2.574 35.897 39.000 -0.881 0.000 0.963 158 F HN -0.005 8.140 8.300 -0.259 0.000 0.481 159 P HA -0.208 nan 4.420 nan 0.000 0.217 159 P C 1.895 179.089 177.300 -0.176 0.000 1.151 159 P CA 2.871 65.734 63.100 -0.395 0.000 0.828 159 P CB -0.385 31.209 31.700 -0.177 0.000 0.788 160 I N -1.028 119.485 120.570 -0.094 0.000 2.252 160 I HA -0.533 nan 4.170 nan 0.000 0.245 160 I C 2.096 178.234 176.117 0.035 0.000 1.102 160 I CA 4.035 65.337 61.300 0.004 0.000 1.385 160 I CB -0.468 37.529 38.000 -0.005 0.000 1.064 160 I HN -0.354 7.793 8.210 -0.105 0.000 0.414 161 R N -0.655 119.828 120.500 -0.028 0.000 2.096 161 R HA -0.314 nan 4.340 nan 0.000 0.235 161 R C 2.842 179.118 176.300 -0.040 0.000 1.127 161 R CA 3.545 59.634 56.100 -0.019 0.000 0.968 161 R CB -0.209 30.080 30.300 -0.018 0.000 0.861 161 R HN -0.004 8.230 8.270 -0.060 0.000 0.440 162 I N -0.752 119.760 120.570 -0.096 0.000 2.286 162 I HA -0.399 nan 4.170 nan 0.000 0.248 162 I C 1.832 177.916 176.117 -0.053 0.000 1.115 162 I CA 2.309 63.545 61.300 -0.107 0.000 1.392 162 I CB -1.090 36.777 38.000 -0.222 0.000 1.065 162 I HN -0.610 7.504 8.210 -0.160 0.000 0.418 163 F N 2.302 122.184 119.950 -0.114 0.000 2.113 163 F HA -0.406 nan 4.527 nan 0.000 0.297 163 F C 1.650 177.424 175.800 -0.043 0.000 1.103 163 F CA 4.039 61.994 58.000 -0.074 0.000 1.248 163 F CB 0.289 39.247 39.000 -0.070 0.000 0.999 163 F HN -0.388 7.881 8.300 0.103 0.092 0.475 164 M N -1.555 117.986 119.600 -0.099 0.000 2.202 164 M HA -0.370 nan 4.480 nan 0.000 0.262 164 M C 2.400 178.589 176.300 -0.185 0.000 1.063 164 M CA 1.860 57.078 55.300 -0.137 0.000 1.097 164 M CB -1.417 31.191 32.600 0.013 0.000 1.382 164 M HN 0.406 8.751 8.290 0.091 0.000 0.413 165 L N -0.162 120.975 121.223 -0.144 0.000 2.027 165 L HA -0.208 nan 4.340 nan 0.000 0.206 165 L C 2.024 178.796 176.870 -0.164 0.000 1.074 165 L CA 3.227 57.998 54.840 -0.117 0.000 0.745 165 L CB -0.350 41.663 42.059 -0.077 0.000 0.898 165 L HN -0.129 8.019 8.230 -0.112 0.015 0.433 166 L N -1.328 119.756 121.223 -0.231 0.000 2.083 166 L HA -0.208 nan 4.340 nan 0.000 0.209 166 L C 1.102 177.788 176.870 -0.306 0.000 1.083 166 L CA 2.690 57.384 54.840 -0.243 0.000 0.752 166 L CB 0.161 42.070 42.059 -0.249 0.000 0.899 166 L HN -0.207 7.808 8.230 -0.239 0.072 0.433 167 A N -4.118 118.414 122.820 -0.480 0.000 2.238 167 A HA 0.144 nan 4.320 nan 0.000 0.210 167 A C -0.076 177.387 177.584 -0.201 0.000 1.179 167 A CA 0.367 52.165 52.037 -0.399 0.000 0.827 167 A CB 0.366 18.979 19.000 -0.646 0.000 0.856 167 A HN 0.351 8.033 8.150 -0.611 0.102 0.488 168 G N -2.487 106.214 108.800 -0.165 0.000 2.272 168 G HA2 -0.368 nan 3.960 nan 0.000 0.280 168 G HA3 -0.368 nan 3.960 nan 0.000 0.280 168 G C -0.714 174.157 174.900 -0.048 0.000 1.067 168 G CA 0.558 45.605 45.100 -0.089 0.000 0.902 168 G HN -0.407 7.602 8.290 -0.200 0.161 0.500 169 L N -0.092 121.110 121.223 -0.035 0.000 2.346 169 L HA 0.314 nan 4.340 nan 0.000 0.274 169 L C -2.246 174.655 176.870 0.052 0.000 1.007 169 L CA -3.049 51.821 54.840 0.051 0.000 0.818 169 L CB 1.120 43.262 42.059 0.138 0.000 1.284 169 L HN -0.162 8.020 8.230 -0.080 0.000 0.424 170 P HA 0.114 nan 4.420 nan 0.000 0.268 170 P C 0.056 177.395 177.300 0.065 0.000 1.204 170 P CA -0.702 62.432 63.100 0.056 0.000 0.768 170 P CB 0.863 32.596 31.700 0.056 0.000 0.842 171 E N 4.168 124.392 120.200 0.041 0.000 2.331 171 E HA -0.347 nan 4.350 nan 0.000 0.199 171 E C 2.129 178.756 176.600 0.045 0.000 1.008 171 E CA 3.202 59.625 56.400 0.039 0.000 0.843 171 E CB -0.360 29.355 29.700 0.025 0.000 0.761 171 E HN 0.678 9.055 8.360 0.029 0.000 0.507 172 E N -1.422 118.806 120.200 0.048 0.000 2.268 172 E HA -0.198 nan 4.350 nan 0.000 0.195 172 E C 1.157 177.796 176.600 0.064 0.000 0.995 172 E CA 2.274 58.702 56.400 0.047 0.000 0.836 172 E CB -0.803 28.921 29.700 0.040 0.000 0.763 172 E HN 0.265 8.599 8.360 0.046 0.054 0.491 173 D N -2.033 118.421 120.400 0.091 0.000 2.340 173 D HA 0.060 nan 4.640 nan 0.000 0.220 173 D C 0.989 177.330 176.300 0.069 0.000 1.039 173 D CA 0.969 55.037 54.000 0.113 0.000 0.866 173 D CB -0.014 40.906 40.800 0.199 0.000 0.913 173 D HN -0.085 8.190 8.370 0.095 0.152 0.523 174 I N 0.899 121.502 120.570 0.054 0.000 2.099 174 I HA -0.369 nan 4.170 nan 0.000 0.239 174 I C -1.289 174.845 176.117 0.029 0.000 1.066 174 I CA 6.129 67.448 61.300 0.032 0.000 1.324 174 I CB -2.362 35.657 38.000 0.031 0.000 1.037 174 I HN -0.631 7.440 8.210 0.058 0.174 0.401 175 P HA -0.306 nan 4.420 nan 0.000 0.215 175 P C 1.446 178.794 177.300 0.079 0.000 1.157 175 P CA 3.680 66.813 63.100 0.055 0.000 0.874 175 P CB -0.664 31.066 31.700 0.050 0.000 0.790 176 H N -2.098 116.968 119.070 -0.007 0.000 2.321 176 H HA -0.238 nan 4.556 nan 0.000 0.300 176 H C 2.162 177.486 175.328 -0.006 0.000 1.087 176 H CA 3.318 59.363 56.048 -0.005 0.000 1.319 176 H CB -0.098 29.651 29.762 -0.022 0.000 1.379 176 H HN -0.067 8.318 8.280 0.176 0.000 0.501 177 L N -1.425 119.682 121.223 -0.193 0.000 2.056 177 L HA -0.399 nan 4.340 nan 0.000 0.207 177 L C 1.955 178.718 176.870 -0.179 0.000 1.078 177 L CA 2.667 57.329 54.840 -0.297 0.000 0.749 177 L CB -0.222 41.680 42.059 -0.261 0.000 0.901 177 L HN -0.092 8.119 8.230 -0.031 0.000 0.433 178 K N -0.333 120.017 120.400 -0.084 0.000 2.057 178 K HA -0.362 nan 4.320 nan 0.000 0.207 178 K C 1.775 178.354 176.600 -0.035 0.000 1.049 178 K CA 2.352 58.608 56.287 -0.051 0.000 0.931 178 K CB -0.686 31.806 32.500 -0.013 0.000 0.714 178 K HN 0.286 8.503 8.250 -0.055 0.000 0.440 179 Y N -0.325 119.905 120.300 -0.116 0.000 2.165 179 Y HA -0.359 nan 4.550 nan 0.000 0.286 179 Y C 1.967 177.793 175.900 -0.124 0.000 1.155 179 Y CA 3.518 61.558 58.100 -0.099 0.000 1.164 179 Y CB -0.007 38.400 38.460 -0.089 0.000 0.978 179 Y HN -0.570 7.772 8.280 0.103 0.000 0.513 180 L N -3.491 117.611 121.223 -0.202 0.000 2.072 180 L HA -0.436 nan 4.340 nan 0.000 0.205 180 L C 2.249 178.967 176.870 -0.254 0.000 1.079 180 L CA 2.672 57.341 54.840 -0.285 0.000 0.752 180 L CB -0.118 41.791 42.059 -0.249 0.000 0.906 180 L HN -0.670 7.402 8.230 -0.111 0.092 0.436 181 T N -2.475 111.971 114.554 -0.181 0.000 2.746 181 T HA -0.371 nan 4.350 nan 0.000 0.267 181 T C 2.006 176.659 174.700 -0.078 0.000 1.039 181 T CA 4.024 66.061 62.100 -0.104 0.000 1.142 181 T CB -0.722 68.096 68.868 -0.084 0.000 0.866 181 T HN 0.012 8.147 8.240 -0.174 0.000 0.444 182 D N 1.191 121.518 120.400 -0.122 0.000 2.218 182 D HA -0.163 nan 4.640 nan 0.000 0.204 182 D C 2.315 178.537 176.300 -0.130 0.000 0.976 182 D CA 3.223 57.164 54.000 -0.098 0.000 0.853 182 D CB -0.840 39.898 40.800 -0.104 0.000 0.939 182 D HN -0.014 8.270 8.370 -0.144 0.000 0.481 183 Q N -2.298 117.351 119.800 -0.251 0.000 2.297 183 Q HA -0.156 nan 4.340 nan 0.000 0.204 183 Q C 1.314 177.255 176.000 -0.097 0.000 0.962 183 Q CA 1.690 57.344 55.803 -0.247 0.000 0.879 183 Q CB -0.298 28.211 28.738 -0.382 0.000 0.947 183 Q HN -0.551 7.385 8.270 -0.326 0.139 0.462 184 M N -3.405 116.172 119.600 -0.038 0.000 2.334 184 M HA -0.010 nan 4.480 nan 0.000 0.266 184 M C 1.551 178.085 176.300 0.390 0.000 1.082 184 M CA 2.282 57.688 55.300 0.176 0.000 1.141 184 M CB 1.012 33.662 32.600 0.084 0.000 1.380 184 M HN -0.564 7.525 8.290 -0.081 0.152 0.440 185 T N -4.304 110.390 114.554 0.234 0.000 3.033 185 T HA 0.052 nan 4.350 nan 0.000 0.248 185 T C 0.515 175.341 174.700 0.209 0.000 1.040 185 T CA 1.117 63.341 62.100 0.207 0.000 1.133 185 T CB 1.100 70.058 68.868 0.151 0.000 0.895 185 T HN -0.507 7.816 8.240 0.138 0.000 0.465 186 R N 0.469 121.047 120.500 0.131 0.000 2.681 186 R HA 0.526 nan 4.340 nan 0.000 0.277 186 R C -2.847 173.456 176.300 0.004 0.000 1.563 186 R CA -2.681 53.495 56.100 0.127 0.000 1.673 186 R CB 0.486 30.853 30.300 0.112 0.000 1.258 186 R HN 0.013 8.224 8.270 0.076 0.105 0.650 187 P HA -0.181 nan 4.420 nan 0.000 0.261 187 P C -0.923 176.309 177.300 -0.114 0.000 1.173 187 P CA 0.682 63.697 63.100 -0.143 0.000 0.760 187 P CB 0.400 31.946 31.700 -0.256 0.000 0.783 188 D N 4.089 124.437 120.400 -0.086 0.000 2.398 188 D HA -0.074 nan 4.640 nan 0.000 0.210 188 D C 1.082 177.362 176.300 -0.034 0.000 1.094 188 D CA -0.431 53.543 54.000 -0.043 0.000 0.839 188 D CB 0.402 41.194 40.800 -0.014 0.000 0.963 188 D HN -0.097 8.429 8.370 -0.102 -0.217 0.506 189 G N 0.530 109.298 108.800 -0.053 0.000 2.195 189 G HA2 -0.384 nan 3.960 nan 0.000 0.246 189 G HA3 -0.384 nan 3.960 nan 0.000 0.246 189 G C 0.829 175.723 174.900 -0.010 0.000 0.984 189 G CA 0.033 45.112 45.100 -0.035 0.000 0.633 189 G HN 0.175 8.357 8.290 -0.077 0.062 0.525 190 S N 0.857 116.560 115.700 0.005 0.000 2.406 190 S HA -0.164 nan 4.470 nan 0.000 0.228 190 S C 0.539 175.157 174.600 0.031 0.000 1.020 190 S CA 1.305 59.529 58.200 0.040 0.000 0.965 190 S CB 0.596 63.861 63.200 0.108 0.000 0.798 190 S HN 0.083 8.646 8.310 -0.006 -0.257 0.488 191 M N -2.625 116.975 119.600 -0.001 0.000 2.578 191 M HA 0.405 nan 4.480 nan 0.000 0.276 191 M C -1.247 175.040 176.300 -0.022 0.000 1.245 191 M CA -0.664 54.632 55.300 -0.006 0.000 0.871 191 M CB 3.228 35.826 32.600 -0.002 0.000 1.722 191 M HN -0.727 7.529 8.290 -0.025 0.019 0.473 192 T N -3.057 111.494 114.554 -0.004 0.000 2.788 192 T HA 0.211 nan 4.350 nan 0.000 0.287 192 T C 0.774 175.491 174.700 0.030 0.000 1.007 192 T CA -0.853 61.262 62.100 0.026 0.000 1.005 192 T CB 1.392 70.286 68.868 0.042 0.000 1.012 192 T HN 0.031 8.492 8.240 0.000 -0.221 0.530 193 F N 1.787 121.714 119.950 -0.039 0.000 2.095 193 F HA -0.354 nan 4.527 nan 0.000 0.298 193 F C 1.297 177.052 175.800 -0.075 0.000 1.104 193 F CA 3.033 61.010 58.000 -0.039 0.000 1.232 193 F CB -0.314 38.688 39.000 0.003 0.000 0.987 193 F HN 0.217 8.657 8.300 0.233 0.000 0.475 194 A N -2.375 120.520 122.820 0.125 0.000 1.892 194 A HA -0.369 nan 4.320 nan 0.000 0.218 194 A C 2.222 179.743 177.584 -0.104 0.000 1.188 194 A CA 3.290 55.337 52.037 0.016 0.000 0.631 194 A CB -1.319 17.723 19.000 0.070 0.000 0.822 194 A HN 0.306 8.600 8.150 0.239 0.000 0.447 195 E N -1.441 118.715 120.200 -0.073 0.000 2.072 195 E HA -0.379 nan 4.350 nan 0.000 0.191 195 E C 2.394 178.918 176.600 -0.126 0.000 0.985 195 E CA 2.883 59.242 56.400 -0.068 0.000 0.801 195 E CB -0.137 29.549 29.700 -0.024 0.000 0.750 195 E HN -0.552 7.788 8.360 -0.033 0.000 0.452 196 A N -0.564 122.131 122.820 -0.209 0.000 1.930 196 A HA -0.225 nan 4.320 nan 0.000 0.217 196 A C 1.791 179.168 177.584 -0.346 0.000 1.175 196 A CA 3.116 54.997 52.037 -0.261 0.000 0.627 196 A CB -0.737 18.064 19.000 -0.331 0.000 0.815 196 A HN -0.193 7.829 8.150 -0.213 0.000 0.443 197 K N -1.374 118.718 120.400 -0.512 0.000 2.025 197 K HA -0.323 nan 4.320 nan 0.000 0.207 197 K C 2.329 178.600 176.600 -0.548 0.000 1.049 197 K CA 3.355 59.258 56.287 -0.639 0.000 0.933 197 K CB 0.015 32.062 32.500 -0.755 0.000 0.714 197 K HN 0.093 7.930 8.250 -0.551 0.083 0.438 198 E N -1.413 118.617 120.200 -0.284 0.000 2.051 198 E HA -0.312 nan 4.350 nan 0.000 0.192 198 E C 2.330 178.936 176.600 0.011 0.000 0.991 198 E CA 2.646 59.001 56.400 -0.075 0.000 0.799 198 E CB -0.616 29.084 29.700 -0.001 0.000 0.748 198 E HN 0.191 8.295 8.360 -0.247 0.108 0.449 199 A N -0.795 122.017 122.820 -0.014 0.000 1.940 199 A HA -0.232 nan 4.320 nan 0.000 0.219 199 A C 2.417 180.067 177.584 0.111 0.000 1.176 199 A CA 2.904 54.980 52.037 0.066 0.000 0.631 199 A CB -0.680 18.351 19.000 0.051 0.000 0.814 199 A HN -0.033 8.077 8.150 -0.065 0.000 0.446 200 L N -1.646 119.579 121.223 0.003 0.000 2.093 200 L HA -0.300 nan 4.340 nan 0.000 0.208 200 L C 1.819 178.860 176.870 0.285 0.000 1.085 200 L CA 2.975 57.850 54.840 0.060 0.000 0.755 200 L CB -0.229 41.783 42.059 -0.079 0.000 0.904 200 L HN -0.448 7.628 8.230 -0.111 0.087 0.435 201 Y N -1.552 118.811 120.300 0.105 0.000 2.242 201 Y HA -0.378 nan 4.550 nan 0.000 0.291 201 Y C 2.411 178.378 175.900 0.112 0.000 1.137 201 Y CA 0.803 58.964 58.100 0.103 0.000 1.181 201 Y CB -1.325 37.178 38.460 0.071 0.000 0.989 201 Y HN 0.016 8.243 8.280 0.081 0.102 0.527 202 D N -0.831 119.739 120.400 0.283 0.000 2.149 202 D HA -0.352 nan 4.640 nan 0.000 0.198 202 D C 1.460 177.878 176.300 0.195 0.000 0.990 202 D CA 3.036 57.152 54.000 0.194 0.000 0.839 202 D CB -0.365 40.534 40.800 0.165 0.000 0.948 202 D HN 0.200 8.648 8.370 0.266 0.082 0.460 203 Y N -0.932 119.458 120.300 0.149 0.000 2.163 203 Y HA -0.296 nan 4.550 nan 0.000 0.288 203 Y C 1.039 177.000 175.900 0.101 0.000 1.136 203 Y CA 3.060 61.242 58.100 0.137 0.000 1.147 203 Y CB 0.795 39.379 38.460 0.206 0.000 0.987 203 Y HN -0.814 7.608 8.280 0.406 0.102 0.509 204 L N -1.859 119.495 121.223 0.219 0.000 2.109 204 L HA -0.419 nan 4.340 nan 0.000 0.207 204 L C 1.906 178.765 176.870 -0.017 0.000 1.086 204 L CA 2.799 57.692 54.840 0.089 0.000 0.760 204 L CB -0.111 42.067 42.059 0.198 0.000 0.910 204 L HN -0.700 7.689 8.230 0.389 0.074 0.437 205 I N -0.802 119.771 120.570 0.006 0.000 2.087 205 I HA -0.446 nan 4.170 nan 0.000 0.240 205 I C -0.926 175.162 176.117 -0.048 0.000 1.054 205 I CA 6.369 67.654 61.300 -0.025 0.000 1.311 205 I CB -2.960 35.038 38.000 -0.003 0.000 1.024 205 I HN 0.446 8.695 8.210 0.065 0.000 0.402 206 P HA -0.171 nan 4.420 nan 0.000 0.218 206 P C 1.764 179.009 177.300 -0.091 0.000 1.149 206 P CA 3.070 66.126 63.100 -0.072 0.000 0.817 206 P CB -0.634 31.017 31.700 -0.081 0.000 0.785 207 I N -1.239 119.252 120.570 -0.132 0.000 2.252 207 I HA -0.413 nan 4.170 nan 0.000 0.245 207 I C 2.224 178.294 176.117 -0.077 0.000 1.102 207 I CA 3.788 65.010 61.300 -0.131 0.000 1.385 207 I CB -0.188 37.694 38.000 -0.196 0.000 1.064 207 I HN -0.987 7.108 8.210 -0.162 0.017 0.414 208 I N -0.256 120.277 120.570 -0.062 0.000 2.202 208 I HA -0.623 nan 4.170 nan 0.000 0.242 208 I C 1.883 177.976 176.117 -0.040 0.000 1.091 208 I CA 4.444 65.719 61.300 -0.042 0.000 1.368 208 I CB -0.316 37.661 38.000 -0.038 0.000 1.058 208 I HN 0.291 8.461 8.210 -0.067 0.000 0.410 209 E N -0.382 119.793 120.200 -0.042 0.000 2.033 209 E HA -0.454 nan 4.350 nan 0.000 0.199 209 E C 2.732 179.311 176.600 -0.035 0.000 1.011 209 E CA 3.599 59.978 56.400 -0.036 0.000 0.815 209 E CB -0.518 29.160 29.700 -0.035 0.000 0.755 209 E HN -0.133 8.199 8.360 -0.047 0.000 0.451 210 Q N -1.631 118.144 119.800 -0.042 0.000 2.096 210 Q HA -0.299 nan 4.340 nan 0.000 0.204 210 Q C 2.892 178.870 176.000 -0.036 0.000 0.982 210 Q CA 2.586 58.365 55.803 -0.040 0.000 0.850 210 Q CB -0.401 28.307 28.738 -0.050 0.000 0.901 210 Q HN -0.132 8.108 8.270 -0.050 0.000 0.422 211 R N -2.590 117.887 120.500 -0.038 0.000 2.299 211 R HA -0.125 nan 4.340 nan 0.000 0.197 211 R C 2.376 178.659 176.300 -0.028 0.000 0.971 211 R CA 1.870 57.950 56.100 -0.034 0.000 1.030 211 R CB -0.298 29.981 30.300 -0.035 0.000 0.932 211 R HN -0.072 8.089 8.270 -0.043 0.083 0.477 212 R N -1.888 118.596 120.500 -0.027 0.000 2.112 212 R HA -0.105 nan 4.340 nan 0.000 0.216 212 R C 1.516 177.803 176.300 -0.022 0.000 1.080 212 R CA 2.183 58.270 56.100 -0.023 0.000 0.996 212 R CB 0.022 30.309 30.300 -0.022 0.000 0.902 212 R HN -0.310 7.780 8.270 -0.029 0.162 0.449 213 Q N -0.755 119.031 119.800 -0.023 0.000 1.965 213 Q HA -0.114 nan 4.340 nan 0.000 0.200 213 Q C 0.738 176.725 176.000 -0.021 0.000 0.981 213 Q CA 2.044 57.835 55.803 -0.021 0.000 0.834 213 Q CB 0.547 29.272 28.738 -0.022 0.000 0.900 213 Q HN -0.535 7.720 8.270 -0.025 0.000 0.426 214 K N -0.619 119.768 120.400 -0.023 0.000 2.484 214 K HA 0.425 nan 4.320 nan 0.000 0.226 214 K C -2.390 174.195 176.600 -0.024 0.000 1.031 214 K CA -2.276 53.998 56.287 -0.022 0.000 1.026 214 K CB 0.150 32.636 32.500 -0.022 0.000 1.412 214 K HN -0.397 7.838 8.250 -0.025 0.000 0.492 215 P HA -0.098 nan 4.420 nan 0.000 0.266 215 P C -1.289 175.996 177.300 -0.025 0.000 1.193 215 P CA 0.317 63.403 63.100 -0.024 0.000 0.770 215 P CB 0.458 32.145 31.700 -0.022 0.000 0.836 216 G N 0.235 109.019 108.800 -0.027 0.000 3.251 216 G HA2 0.140 nan 3.960 nan 0.000 0.248 216 G HA3 0.140 nan 3.960 nan 0.000 0.248 216 G C -1.022 173.861 174.900 -0.029 0.000 1.320 216 G CA -0.228 44.855 45.100 -0.029 0.000 0.982 216 G HN -0.023 8.250 8.290 -0.028 0.000 0.575 217 T N -4.804 109.731 114.554 -0.032 0.000 3.010 217 T HA 0.231 nan 4.350 nan 0.000 0.257 217 T C -0.282 174.394 174.700 -0.041 0.000 1.020 217 T CA -0.329 61.751 62.100 -0.033 0.000 0.938 217 T CB 0.420 69.270 68.868 -0.030 0.000 1.049 217 T HN -0.099 8.121 8.240 -0.034 0.000 0.522 218 D N 1.136 121.507 120.400 -0.049 0.000 2.363 218 D HA -0.074 nan 4.640 nan 0.000 0.240 218 D C 0.733 176.994 176.300 -0.064 0.000 1.236 218 D CA -0.420 53.540 54.000 -0.068 0.000 0.927 218 D CB 1.174 41.929 40.800 -0.076 0.000 1.150 218 D HN -0.706 7.637 8.370 -0.045 0.000 0.458 219 A N -0.516 122.252 122.820 -0.087 0.000 1.908 219 A HA -0.301 nan 4.320 nan 0.000 0.218 219 A C 2.250 179.810 177.584 -0.039 0.000 1.181 219 A CA 2.985 54.983 52.037 -0.065 0.000 0.627 219 A CB -0.154 18.790 19.000 -0.093 0.000 0.818 219 A HN 0.411 8.488 8.150 -0.122 0.000 0.445 220 I N -2.400 118.143 120.570 -0.046 0.000 2.286 220 I HA -0.530 nan 4.170 nan 0.000 0.248 220 I C 1.966 178.071 176.117 -0.020 0.000 1.115 220 I CA 3.609 64.897 61.300 -0.019 0.000 1.392 220 I CB -0.366 37.625 38.000 -0.014 0.000 1.065 220 I HN -0.377 7.864 8.210 -0.074 -0.076 0.418 221 S N 0.583 116.265 115.700 -0.030 0.000 2.355 221 S HA -0.266 nan 4.470 nan 0.000 0.222 221 S C 2.345 176.931 174.600 -0.022 0.000 1.031 221 S CA 3.757 61.941 58.200 -0.027 0.000 0.993 221 S CB -0.331 62.850 63.200 -0.031 0.000 0.859 221 S HN -0.395 8.176 8.310 -0.038 -0.284 0.453 222 I N 1.302 121.858 120.570 -0.023 0.000 2.163 222 I HA -0.371 nan 4.170 nan 0.000 0.243 222 I C 1.546 177.655 176.117 -0.013 0.000 1.085 222 I CA 2.391 63.679 61.300 -0.020 0.000 1.347 222 I CB -0.827 37.161 38.000 -0.020 0.000 1.044 222 I HN -0.183 8.010 8.210 -0.028 0.000 0.408 223 V N -2.182 117.729 119.914 -0.005 0.000 2.237 223 V HA -0.224 nan 4.120 nan 0.000 0.245 223 V C 2.387 178.484 176.094 0.005 0.000 1.046 223 V CA 3.573 65.879 62.300 0.008 0.000 1.007 223 V CB -0.060 31.776 31.823 0.023 0.000 0.638 223 V HN -0.214 7.972 8.190 -0.007 0.000 0.445 224 A N -1.308 121.511 122.820 -0.001 0.000 2.032 224 A HA -0.367 nan 4.320 nan 0.000 0.221 224 A C 1.376 178.954 177.584 -0.010 0.000 1.165 224 A CA 3.155 55.188 52.037 -0.006 0.000 0.645 224 A CB -0.339 18.653 19.000 -0.014 0.000 0.807 224 A HN 0.269 8.416 8.150 -0.004 0.000 0.453 225 N N -4.456 114.235 118.700 -0.015 0.000 2.238 225 N HA 0.100 nan 4.740 nan 0.000 0.222 225 N C -0.170 175.326 175.510 -0.024 0.000 1.133 225 N CA -0.463 52.576 53.050 -0.019 0.000 0.854 225 N CB 0.915 39.390 38.487 -0.021 0.000 1.041 225 N HN -0.318 8.025 8.380 -0.015 0.029 0.510 226 G N -0.063 108.722 108.800 -0.025 0.000 2.580 226 G HA2 0.024 nan 3.960 nan 0.000 0.278 226 G HA3 0.024 nan 3.960 nan 0.000 0.278 226 G C -1.738 173.128 174.900 -0.057 0.000 1.212 226 G CA -0.174 44.903 45.100 -0.038 0.000 0.939 226 G HN -0.195 7.910 8.290 -0.017 0.175 0.513 227 Q N -1.579 118.174 119.800 -0.078 0.000 2.333 227 Q HA 0.596 nan 4.340 nan 0.000 0.267 227 Q C -1.088 174.814 176.000 -0.164 0.000 1.012 227 Q CA -0.647 55.097 55.803 -0.099 0.000 0.824 227 Q CB 2.944 31.635 28.738 -0.078 0.000 1.290 227 Q HN -0.209 8.016 8.270 -0.074 0.000 0.449 228 V N -1.377 118.407 119.914 -0.216 0.000 2.733 228 V HA 0.571 nan 4.120 nan 0.000 0.306 228 V C -0.846 175.097 176.094 -0.253 0.000 1.084 228 V CA -1.749 60.334 62.300 -0.362 0.000 0.905 228 V CB 2.880 34.234 31.823 -0.782 0.000 1.010 228 V HN 0.565 8.654 8.190 -0.169 0.000 0.424 229 N N 5.988 124.565 118.700 -0.205 0.000 2.754 229 N HA -0.352 nan 4.740 nan 0.000 0.248 229 N C 0.702 176.165 175.510 -0.079 0.000 1.093 229 N CA 0.715 53.696 53.050 -0.115 0.000 0.699 229 N CB -1.735 36.702 38.487 -0.083 0.000 1.016 229 N HN 1.205 9.813 8.380 -0.223 -0.361 0.552 230 G N -6.614 102.137 108.800 -0.081 0.000 2.196 230 G HA2 -0.464 nan 3.960 nan 0.000 0.268 230 G HA3 -0.464 nan 3.960 nan 0.000 0.268 230 G C -1.048 173.821 174.900 -0.052 0.000 0.975 230 G CA 0.826 45.891 45.100 -0.058 0.000 0.648 230 G HN 0.360 8.580 8.290 -0.099 0.011 0.538 231 R N -1.873 118.591 120.500 -0.061 0.000 2.912 231 R HA 0.560 nan 4.340 nan 0.000 0.262 231 R C -3.145 173.123 176.300 -0.053 0.000 1.057 231 R CA -3.666 52.406 56.100 -0.046 0.000 0.981 231 R CB -0.698 29.584 30.300 -0.031 0.000 1.201 231 R HN -0.407 7.635 8.270 -0.080 0.180 0.484 232 P HA 0.055 nan 4.420 nan 0.000 0.268 232 P C -0.557 176.728 177.300 -0.025 0.000 1.205 232 P CA -0.020 63.061 63.100 -0.032 0.000 0.771 232 P CB 0.352 32.039 31.700 -0.020 0.000 0.858 233 I N 4.675 125.230 120.570 -0.025 0.000 2.754 233 I HA -0.129 nan 4.170 nan 0.000 0.285 233 I C -0.497 175.636 176.117 0.026 0.000 1.166 233 I CA -0.310 60.996 61.300 0.009 0.000 1.417 233 I CB 1.967 39.979 38.000 0.020 0.000 1.382 233 I HN 0.193 8.383 8.210 -0.033 0.000 0.588 234 T N 4.331 118.917 114.554 0.053 0.000 2.816 234 T HA 0.218 nan 4.350 nan 0.000 0.282 234 T C 1.672 176.381 174.700 0.016 0.000 0.993 234 T CA -0.908 61.211 62.100 0.031 0.000 0.994 234 T CB 1.255 70.144 68.868 0.036 0.000 1.025 234 T HN -0.008 8.587 8.240 0.095 -0.298 0.529 235 S N 0.949 116.645 115.700 -0.005 0.000 2.368 235 S HA -0.312 nan 4.470 nan 0.000 0.225 235 S C 1.997 176.567 174.600 -0.050 0.000 1.030 235 S CA 3.911 62.096 58.200 -0.025 0.000 0.999 235 S CB -0.381 62.801 63.200 -0.029 0.000 0.844 235 S HN 0.444 8.751 8.310 -0.005 0.000 0.459 236 D N 1.569 121.940 120.400 -0.049 0.000 2.092 236 D HA -0.216 nan 4.640 nan 0.000 0.193 236 D C 2.049 178.296 176.300 -0.087 0.000 0.994 236 D CA 3.213 57.161 54.000 -0.086 0.000 0.828 236 D CB -0.016 40.752 40.800 -0.054 0.000 0.963 236 D HN 0.064 8.417 8.370 -0.028 0.000 0.450 237 E N -0.593 119.598 120.200 -0.015 0.000 2.110 237 E HA -0.373 nan 4.350 nan 0.000 0.193 237 E C 2.425 179.043 176.600 0.029 0.000 0.988 237 E CA 2.690 59.106 56.400 0.026 0.000 0.804 237 E CB -0.150 29.662 29.700 0.187 0.000 0.745 237 E HN -0.129 8.238 8.360 0.012 0.000 0.458 238 A N -0.515 122.314 122.820 0.016 0.000 1.898 238 A HA -0.237 nan 4.320 nan 0.000 0.216 238 A C 1.587 179.145 177.584 -0.044 0.000 1.181 238 A CA 3.152 55.193 52.037 0.006 0.000 0.620 238 A CB -0.775 18.223 19.000 -0.003 0.000 0.819 238 A HN -0.065 7.996 8.150 0.012 0.095 0.442 239 K N -1.245 119.083 120.400 -0.120 0.000 2.057 239 K HA -0.355 nan 4.320 nan 0.000 0.207 239 K C 2.399 178.844 176.600 -0.258 0.000 1.049 239 K CA 3.285 59.432 56.287 -0.234 0.000 0.931 239 K CB -0.072 32.179 32.500 -0.414 0.000 0.714 239 K HN 0.031 8.130 8.250 -0.117 0.081 0.440 240 R N -2.195 118.181 120.500 -0.207 0.000 2.092 240 R HA -0.282 nan 4.340 nan 0.000 0.231 240 R C 2.705 179.007 176.300 0.003 0.000 1.119 240 R CA 3.077 59.172 56.100 -0.008 0.000 0.970 240 R CB -0.088 30.213 30.300 0.002 0.000 0.864 240 R HN -0.083 8.068 8.270 -0.197 0.000 0.440 241 M N 0.614 120.201 119.600 -0.021 0.000 2.236 241 M HA -0.229 nan 4.480 nan 0.000 0.266 241 M C 1.651 177.915 176.300 -0.060 0.000 1.070 241 M CA 3.604 58.895 55.300 -0.014 0.000 1.137 241 M CB 0.319 32.955 32.600 0.061 0.000 1.378 241 M HN -0.360 7.920 8.290 -0.017 0.000 0.426 242 C N -1.465 117.815 119.300 -0.034 0.000 2.435 242 C HA -0.257 nan 4.460 nan 0.000 0.279 242 C C 2.224 177.174 174.990 -0.067 0.000 1.321 242 C CA 4.021 63.038 59.018 -0.001 0.000 1.752 242 C CB -1.639 26.128 27.740 0.044 0.000 1.959 242 C HN 0.279 8.495 8.230 -0.023 0.000 0.500 243 G N -0.137 108.585 108.800 -0.130 0.000 2.440 243 G HA2 -0.313 nan 3.960 nan 0.000 0.218 243 G HA3 -0.313 nan 3.960 nan 0.000 0.218 243 G C 0.542 174.896 174.900 -0.909 0.000 1.154 243 G CA 2.221 47.136 45.100 -0.310 0.000 0.767 243 G HN 0.193 8.452 8.290 -0.052 0.000 0.552 244 L N 1.623 122.182 121.223 -1.107 0.000 2.056 244 L HA -0.197 nan 4.340 nan 0.000 0.207 244 L C 1.431 178.100 176.870 -0.335 0.000 1.078 244 L CA 2.410 56.755 54.840 -0.826 0.000 0.749 244 L CB -0.133 41.683 42.059 -0.405 0.000 0.901 244 L HN -0.834 6.892 8.230 -0.838 0.001 0.433 245 L N -1.783 119.325 121.223 -0.191 0.000 2.042 245 L HA -0.451 nan 4.340 nan 0.000 0.210 245 L C 2.425 179.119 176.870 -0.293 0.000 1.076 245 L CA 3.227 58.030 54.840 -0.062 0.000 0.749 245 L CB -0.824 41.335 42.059 0.167 0.000 0.893 245 L HN -0.476 7.576 8.230 -0.183 0.067 0.432 246 L N -1.699 119.387 121.223 -0.228 0.000 2.017 246 L HA -0.364 nan 4.340 nan 0.000 0.208 246 L C 2.464 179.090 176.870 -0.407 0.000 1.073 246 L CA 3.511 58.144 54.840 -0.345 0.000 0.745 246 L CB -1.389 40.607 42.059 -0.105 0.000 0.894 246 L HN -0.203 7.940 8.230 -0.134 0.007 0.432 247 V N -1.523 118.235 119.914 -0.261 0.000 2.287 247 V HA -0.422 nan 4.120 nan 0.000 0.248 247 V C 2.088 178.097 176.094 -0.141 0.000 1.053 247 V CA 4.760 66.986 62.300 -0.123 0.000 1.027 247 V CB -0.907 30.954 31.823 0.063 0.000 0.646 247 V HN -0.242 7.776 8.190 -0.286 0.000 0.447 248 G N -1.789 106.911 108.800 -0.167 0.000 2.422 248 G HA2 -0.328 nan 3.960 nan 0.000 0.218 248 G HA3 -0.328 nan 3.960 nan 0.000 0.218 248 G C 1.125 175.875 174.900 -0.251 0.000 1.146 248 G CA 2.204 47.224 45.100 -0.132 0.000 0.769 248 G HN 0.314 8.495 8.290 -0.182 0.000 0.547 249 G N 0.789 109.241 108.800 -0.581 0.000 2.403 249 G HA2 -0.088 nan 3.960 nan 0.000 0.216 249 G HA3 -0.088 nan 3.960 nan 0.000 0.216 249 G C 0.744 175.380 174.900 -0.439 0.000 1.154 249 G CA 1.365 46.001 45.100 -0.773 0.000 0.784 249 G HN 0.057 7.734 8.290 -0.721 0.180 0.538 250 L N -3.256 117.739 121.223 -0.379 0.000 2.554 250 L HA 0.228 nan 4.340 nan 0.000 0.225 250 L C -0.579 176.230 176.870 -0.101 0.000 1.104 250 L CA 0.793 55.519 54.840 -0.191 0.000 0.866 250 L CB 0.900 42.858 42.059 -0.169 0.000 1.047 250 L HN -0.232 7.727 8.230 -0.452 0.000 0.468 251 D N -3.510 116.842 120.400 -0.081 0.000 2.760 251 D HA 0.218 nan 4.640 nan 0.000 0.314 251 D C -0.671 175.640 176.300 0.020 0.000 1.464 251 D CA 0.465 54.454 54.000 -0.018 0.000 0.797 251 D CB 1.045 41.846 40.800 0.001 0.000 1.149 251 D HN -0.078 8.224 8.370 -0.113 0.000 0.455 252 T N -5.803 108.764 114.554 0.022 0.000 3.429 252 T HA 0.313 nan 4.350 nan 0.000 0.212 252 T C 0.733 175.504 174.700 0.119 0.000 0.980 252 T CA 1.455 63.593 62.100 0.063 0.000 1.201 252 T CB 0.560 69.459 68.868 0.052 0.000 1.289 252 T HN -0.536 7.701 8.240 -0.005 0.000 0.346 253 V N 2.641 122.624 119.914 0.116 0.000 2.392 253 V HA -0.305 nan 4.120 nan 0.000 0.249 253 V C 1.607 177.818 176.094 0.195 0.000 1.059 253 V CA 4.420 66.838 62.300 0.196 0.000 1.051 253 V CB -0.891 31.018 31.823 0.144 0.000 0.658 253 V HN 0.505 8.738 8.190 0.070 0.000 0.455 254 V N -0.997 118.975 119.914 0.096 0.000 2.282 254 V HA -0.508 nan 4.120 nan 0.000 0.249 254 V C 1.943 178.069 176.094 0.052 0.000 1.057 254 V CA 4.053 66.387 62.300 0.057 0.000 1.032 254 V CB -0.681 31.144 31.823 0.003 0.000 0.645 254 V HN 0.119 8.332 8.190 0.057 0.011 0.447 255 N N -0.969 117.761 118.700 0.050 0.000 2.171 255 N HA -0.210 nan 4.740 nan 0.000 0.184 255 N C 2.029 177.528 175.510 -0.019 0.000 1.021 255 N CA 2.698 55.724 53.050 -0.039 0.000 0.854 255 N CB -0.114 38.381 38.487 0.012 0.000 0.994 255 N HN -0.628 7.797 8.380 0.076 0.000 0.426 256 F N 2.595 122.592 119.950 0.078 0.000 2.126 256 F HA -0.357 nan 4.527 nan 0.000 0.299 256 F C 1.274 177.146 175.800 0.120 0.000 1.096 256 F CA 3.481 61.583 58.000 0.171 0.000 1.255 256 F CB 0.157 39.228 39.000 0.119 0.000 0.997 256 F HN -0.206 8.292 8.300 0.329 0.000 0.479 257 L N -3.322 117.937 121.223 0.061 0.000 2.079 257 L HA -0.543 nan 4.340 nan 0.000 0.210 257 L C 2.116 178.970 176.870 -0.028 0.000 1.081 257 L CA 3.330 58.213 54.840 0.073 0.000 0.752 257 L CB -0.793 41.476 42.059 0.350 0.000 0.896 257 L HN 0.449 8.821 8.230 0.237 0.000 0.433 258 S N -0.201 115.468 115.700 -0.053 0.000 2.383 258 S HA -0.230 nan 4.470 nan 0.000 0.227 258 S C 2.121 176.464 174.600 -0.428 0.000 1.026 258 S CA 3.552 61.651 58.200 -0.168 0.000 0.981 258 S CB -0.648 62.456 63.200 -0.161 0.000 0.818 258 S HN -0.560 7.598 8.310 -0.067 0.111 0.472 259 F N 1.605 121.295 119.950 -0.433 0.000 2.134 259 F HA -0.258 nan 4.527 nan 0.000 0.299 259 F C 1.821 177.043 175.800 -0.964 0.000 1.097 259 F CA 3.513 61.116 58.000 -0.662 0.000 1.264 259 F CB -0.487 38.143 39.000 -0.618 0.000 1.001 259 F HN -0.621 7.354 8.300 -0.542 0.000 0.479 260 S N 0.508 115.781 115.700 -0.712 0.000 2.356 260 S HA -0.398 nan 4.470 nan 0.000 0.223 260 S C 1.959 176.328 174.600 -0.384 0.000 1.032 260 S CA 3.431 61.281 58.200 -0.583 0.000 1.005 260 S CB -0.056 62.841 63.200 -0.506 0.000 0.867 260 S HN -0.234 7.639 8.310 -0.728 0.000 0.449 261 M N 1.458 120.751 119.600 -0.511 0.000 2.296 261 M HA -0.243 nan 4.480 nan 0.000 0.265 261 M C 1.199 177.254 176.300 -0.409 0.000 1.064 261 M CA 1.831 56.747 55.300 -0.639 0.000 1.109 261 M CB -0.397 31.298 32.600 -1.509 0.000 1.396 261 M HN -0.017 7.948 8.290 -0.541 0.000 0.430 262 E N 0.441 120.425 120.200 -0.359 0.000 2.047 262 E HA -0.369 nan 4.350 nan 0.000 0.191 262 E C 2.316 178.829 176.600 -0.145 0.000 0.987 262 E CA 3.128 59.412 56.400 -0.194 0.000 0.799 262 E CB -0.045 29.592 29.700 -0.105 0.000 0.752 262 E HN -0.208 7.887 8.360 -0.416 0.016 0.449 263 F N 0.414 120.169 119.950 -0.325 0.000 2.075 263 F HA -0.336 nan 4.527 nan 0.000 0.297 263 F C 1.664 177.366 175.800 -0.162 0.000 1.113 263 F CA 3.159 61.028 58.000 -0.218 0.000 1.218 263 F CB 0.260 39.101 39.000 -0.265 0.000 0.984 263 F HN -0.466 7.689 8.300 -0.241 0.000 0.472 264 L N -1.870 119.196 121.223 -0.262 0.000 2.127 264 L HA -0.499 nan 4.340 nan 0.000 0.211 264 L C 2.234 178.790 176.870 -0.525 0.000 1.089 264 L CA 2.920 57.569 54.840 -0.319 0.000 0.757 264 L CB -0.660 41.385 42.059 -0.024 0.000 0.899 264 L HN 0.223 8.416 8.230 -0.062 0.000 0.434 265 A N -2.679 119.885 122.820 -0.427 0.000 2.070 265 A HA -0.238 nan 4.320 nan 0.000 0.220 265 A C 1.316 178.657 177.584 -0.406 0.000 1.159 265 A CA 2.771 54.500 52.037 -0.513 0.000 0.656 265 A CB -0.624 18.320 19.000 -0.093 0.000 0.800 265 A HN 0.031 8.019 8.150 -0.243 0.015 0.453 266 K N -5.707 114.462 120.400 -0.385 0.000 2.358 266 K HA 0.087 nan 4.320 nan 0.000 0.200 266 K C -0.630 175.751 176.600 -0.365 0.000 1.030 266 K CA -0.533 55.572 56.287 -0.305 0.000 1.097 266 K CB 0.822 33.193 32.500 -0.216 0.000 0.862 266 K HN -0.345 7.468 8.250 -0.441 0.172 0.534 267 S N 1.115 116.522 115.700 -0.489 0.000 2.158 267 S HA 0.522 nan 4.470 nan 0.000 0.160 267 S C -2.174 172.299 174.600 -0.211 0.000 1.693 267 S CA -2.199 55.775 58.200 -0.376 0.000 1.251 267 S CB -0.017 62.758 63.200 -0.708 0.000 1.153 267 S HN -0.434 7.362 8.310 -0.545 0.186 0.439 268 P HA -0.286 nan 4.420 nan 0.000 0.216 268 P C 1.017 178.280 177.300 -0.060 0.000 1.153 268 P CA 2.913 65.939 63.100 -0.125 0.000 0.858 268 P CB 0.150 31.788 31.700 -0.103 0.000 0.789 269 E N -3.438 116.726 120.200 -0.061 0.000 2.208 269 E HA -0.272 nan 4.350 nan 0.000 0.193 269 E C 2.368 178.926 176.600 -0.070 0.000 0.988 269 E CA 2.620 58.974 56.400 -0.077 0.000 0.828 269 E CB -0.497 29.125 29.700 -0.130 0.000 0.763 269 E HN 0.453 8.773 8.360 -0.067 0.000 0.478 270 H N 0.254 119.318 119.070 -0.010 0.000 2.395 270 H HA -0.151 nan 4.556 nan 0.000 0.299 270 H C 2.295 177.771 175.328 0.246 0.000 1.070 270 H CA 3.864 59.982 56.048 0.117 0.000 1.356 270 H CB 0.132 29.941 29.762 0.078 0.000 1.401 270 H HN -0.509 7.678 8.280 0.061 0.130 0.524 271 R N -0.616 120.007 120.500 0.205 0.000 2.070 271 R HA -0.415 nan 4.340 nan 0.000 0.232 271 R C 2.274 178.652 176.300 0.131 0.000 1.138 271 R CA 3.643 59.831 56.100 0.147 0.000 0.936 271 R CB -0.198 30.114 30.300 0.020 0.000 0.839 271 R HN -0.132 8.204 8.270 0.109 0.000 0.429 272 Q N -1.728 118.118 119.800 0.077 0.000 2.234 272 Q HA -0.281 nan 4.340 nan 0.000 0.206 272 Q C 2.102 178.149 176.000 0.079 0.000 0.980 272 Q CA 2.599 58.438 55.803 0.060 0.000 0.869 272 Q CB -0.729 28.024 28.738 0.025 0.000 0.912 272 Q HN 0.074 8.371 8.270 0.045 0.000 0.436 273 E N -0.441 119.829 120.200 0.117 0.000 2.072 273 E HA -0.229 nan 4.350 nan 0.000 0.191 273 E C 2.322 179.012 176.600 0.150 0.000 0.985 273 E CA 2.981 59.466 56.400 0.142 0.000 0.801 273 E CB -0.183 29.643 29.700 0.210 0.000 0.750 273 E HN -0.525 7.780 8.360 0.132 0.135 0.452 274 L N -2.548 118.777 121.223 0.169 0.000 2.240 274 L HA -0.212 nan 4.340 nan 0.000 0.211 274 L C 1.987 178.900 176.870 0.073 0.000 1.106 274 L CA 1.958 56.857 54.840 0.097 0.000 0.793 274 L CB 0.074 42.172 42.059 0.065 0.000 0.927 274 L HN -0.587 7.691 8.230 0.221 0.085 0.446 275 I N -2.565 118.054 120.570 0.080 0.000 2.179 275 I HA -0.351 nan 4.170 nan 0.000 0.242 275 I C 1.250 177.395 176.117 0.047 0.000 1.088 275 I CA 2.998 64.334 61.300 0.060 0.000 1.357 275 I CB 0.222 38.257 38.000 0.058 0.000 1.051 275 I HN -0.436 7.732 8.210 0.099 0.102 0.409 276 E N -2.555 117.675 120.200 0.050 0.000 2.158 276 E HA -0.157 nan 4.350 nan 0.000 0.191 276 E C 0.709 177.334 176.600 0.041 0.000 0.982 276 E CA 1.705 58.129 56.400 0.041 0.000 0.823 276 E CB 0.837 30.561 29.700 0.040 0.000 0.766 276 E HN -0.627 7.769 8.360 0.059 0.000 0.468 277 R N -1.716 118.814 120.500 0.050 0.000 2.724 277 R HA 0.494 nan 4.340 nan 0.000 0.284 277 R C -1.599 174.725 176.300 0.040 0.000 1.481 277 R CA -2.827 53.301 56.100 0.046 0.000 1.652 277 R CB -0.534 29.800 30.300 0.057 0.000 1.175 277 R HN -0.450 7.856 8.270 0.061 0.000 0.613 278 P HA -0.200 nan 4.420 nan 0.000 0.226 278 P C 0.362 177.674 177.300 0.021 0.000 1.146 278 P CA 1.981 65.096 63.100 0.026 0.000 0.773 278 P CB -0.371 31.345 31.700 0.027 0.000 0.772 279 E N -1.215 119.000 120.200 0.025 0.000 2.418 279 E HA -0.191 nan 4.350 nan 0.000 0.197 279 E C 0.819 177.432 176.600 0.022 0.000 1.026 279 E CA 1.795 58.210 56.400 0.025 0.000 0.862 279 E CB -1.740 27.977 29.700 0.028 0.000 0.799 279 E HN 0.383 8.699 8.360 0.029 0.061 0.518 280 R N -1.873 118.637 120.500 0.018 0.000 2.240 280 R HA 0.032 nan 4.340 nan 0.000 0.203 280 R C 1.638 177.904 176.300 -0.056 0.000 1.011 280 R CA 1.122 57.227 56.100 0.008 0.000 1.007 280 R CB 0.285 30.608 30.300 0.039 0.000 0.911 280 R HN 0.074 8.190 8.270 0.023 0.168 0.468 281 I N 0.954 121.491 120.570 -0.055 0.000 2.248 281 I HA -0.357 nan 4.170 nan 0.000 0.248 281 I C -1.014 175.069 176.117 -0.056 0.000 1.107 281 I CA 5.885 67.135 61.300 -0.084 0.000 1.373 281 I CB -2.411 35.574 38.000 -0.025 0.000 1.055 281 I HN -0.620 7.408 8.210 -0.021 0.169 0.418 282 P HA -0.157 nan 4.420 nan 0.000 0.217 282 P C 0.594 177.907 177.300 0.021 0.000 1.151 282 P CA 3.225 66.339 63.100 0.023 0.000 0.828 282 P CB -0.787 30.935 31.700 0.038 0.000 0.788 283 A N -2.539 120.285 122.820 0.007 0.000 1.898 283 A HA -0.190 nan 4.320 nan 0.000 0.216 283 A C 1.849 179.430 177.584 -0.005 0.000 1.181 283 A CA 2.832 54.888 52.037 0.032 0.000 0.620 283 A CB -1.026 18.009 19.000 0.057 0.000 0.819 283 A HN -0.515 7.635 8.150 0.000 0.000 0.442 284 A N -1.989 120.716 122.820 -0.192 0.000 1.933 284 A HA -0.344 nan 4.320 nan 0.000 0.218 284 A C 1.430 178.923 177.584 -0.152 0.000 1.175 284 A CA 3.132 54.858 52.037 -0.518 0.000 0.628 284 A CB -0.840 17.412 19.000 -1.247 0.000 0.814 284 A HN 0.183 8.210 8.150 -0.204 0.000 0.444 285 C N -1.265 118.005 119.300 -0.050 0.000 2.432 285 C HA -0.346 nan 4.460 nan 0.000 0.277 285 C C 1.949 177.005 174.990 0.110 0.000 1.249 285 C CA 3.738 62.809 59.018 0.088 0.000 1.725 285 C CB -1.924 25.877 27.740 0.101 0.000 2.028 285 C HN 0.207 8.299 8.230 -0.079 0.090 0.477 286 E N 0.215 120.469 120.200 0.089 0.000 2.051 286 E HA -0.366 nan 4.350 nan 0.000 0.192 286 E C 2.001 178.640 176.600 0.065 0.000 0.991 286 E CA 3.088 59.550 56.400 0.102 0.000 0.799 286 E CB -0.393 29.400 29.700 0.155 0.000 0.748 286 E HN -0.327 7.996 8.360 0.073 0.081 0.449 287 E N 0.027 120.290 120.200 0.105 0.000 2.110 287 E HA -0.232 nan 4.350 nan 0.000 0.193 287 E C 2.421 179.054 176.600 0.056 0.000 0.988 287 E CA 2.605 59.063 56.400 0.097 0.000 0.804 287 E CB -0.432 29.394 29.700 0.210 0.000 0.745 287 E HN -0.160 8.268 8.360 0.114 0.000 0.458 288 L N -1.236 120.087 121.223 0.168 0.000 2.093 288 L HA -0.289 nan 4.340 nan 0.000 0.208 288 L C 2.349 179.461 176.870 0.403 0.000 1.085 288 L CA 2.970 57.994 54.840 0.306 0.000 0.755 288 L CB -0.227 42.067 42.059 0.391 0.000 0.904 288 L HN 0.099 8.438 8.230 0.181 0.000 0.435 289 L N -1.851 119.486 121.223 0.190 0.000 2.083 289 L HA -0.461 nan 4.340 nan 0.000 0.209 289 L C 1.853 178.504 176.870 -0.365 0.000 1.083 289 L CA 3.256 57.942 54.840 -0.256 0.000 0.752 289 L CB -0.597 41.109 42.059 -0.588 0.000 0.899 289 L HN 0.051 8.286 8.230 0.140 0.078 0.433 290 R N -1.140 119.167 120.500 -0.322 0.000 2.055 290 R HA -0.310 nan 4.340 nan 0.000 0.228 290 R C 2.620 178.758 176.300 -0.271 0.000 1.143 290 R CA 3.430 59.365 56.100 -0.275 0.000 0.945 290 R CB -0.218 30.020 30.300 -0.104 0.000 0.841 290 R HN -0.254 7.777 8.270 -0.212 0.111 0.429 291 R N 0.153 120.447 120.500 -0.343 0.000 2.105 291 R HA -0.205 nan 4.340 nan 0.000 0.239 291 R C 1.416 177.185 176.300 -0.885 0.000 1.135 291 R CA 2.244 57.949 56.100 -0.658 0.000 0.967 291 R CB -0.038 29.702 30.300 -0.933 0.000 0.861 291 R HN -0.044 8.066 8.270 -0.266 0.000 0.442 292 F N -3.351 116.505 119.950 -0.157 0.000 2.850 292 F HA 0.206 nan 4.527 nan 0.000 0.306 292 F C -0.934 174.765 175.800 -0.168 0.000 1.162 292 F CA -1.039 56.819 58.000 -0.237 0.000 1.327 292 F CB -0.735 38.132 39.000 -0.221 0.000 0.953 292 F HN -0.238 7.860 8.300 -0.154 0.110 0.507 293 S N -0.034 115.569 115.700 -0.162 0.000 2.566 293 S HA -0.144 nan 4.470 nan 0.000 0.280 293 S C 0.112 174.557 174.600 -0.259 0.000 1.343 293 S CA 0.943 59.008 58.200 -0.226 0.000 1.036 293 S CB 0.561 63.593 63.200 -0.281 0.000 0.866 293 S HN -0.527 7.559 8.310 -0.247 0.076 0.526 294 L N -3.473 117.616 121.223 -0.223 0.000 3.664 294 L HA 0.399 nan 4.340 nan 0.000 0.341 294 L C -1.749 174.984 176.870 -0.229 0.000 1.247 294 L CA -0.219 54.495 54.840 -0.210 0.000 1.133 294 L CB 1.483 43.574 42.059 0.053 0.000 1.498 294 L HN 0.219 8.311 8.230 -0.230 0.000 0.628 295 V N 0.292 120.055 119.914 -0.252 0.000 2.547 295 V HA 0.627 nan 4.120 nan 0.000 0.299 295 V C -2.071 173.855 176.094 -0.280 0.000 1.040 295 V CA -1.151 61.020 62.300 -0.214 0.000 0.913 295 V CB 2.196 33.938 31.823 -0.135 0.000 0.992 295 V HN -0.489 7.543 8.190 -0.263 0.000 0.449 296 A N 6.188 128.855 122.820 -0.256 0.000 2.768 296 A HA 0.589 nan 4.320 nan 0.000 0.299 296 A C -2.295 175.201 177.584 -0.147 0.000 1.171 296 A CA -0.348 51.563 52.037 -0.210 0.000 0.759 296 A CB 1.209 20.003 19.000 -0.344 0.000 1.267 296 A HN 0.792 8.709 8.150 -0.224 0.098 0.421 297 D N 1.781 122.143 120.400 -0.062 0.000 2.712 297 D HA 0.774 nan 4.640 nan 0.000 0.252 297 D C -1.264 175.071 176.300 0.057 0.000 1.123 297 D CA -1.840 52.115 54.000 -0.075 0.000 1.109 297 D CB 2.830 43.608 40.800 -0.036 0.000 1.313 297 D HN -0.204 8.442 8.370 0.014 -0.268 0.629 298 G N -3.584 105.258 108.800 0.070 0.000 2.677 298 G HA2 0.508 nan 3.960 nan 0.000 0.283 298 G HA3 0.508 nan 3.960 nan 0.000 0.283 298 G C -2.113 172.828 174.900 0.069 0.000 1.221 298 G CA 0.563 45.697 45.100 0.055 0.000 0.851 298 G HN 0.125 8.455 8.290 0.067 0.000 0.504 299 R N -3.505 117.027 120.500 0.053 0.000 2.947 299 R HA 0.864 nan 4.340 nan 0.000 0.253 299 R C -2.127 174.257 176.300 0.140 0.000 1.208 299 R CA -2.908 53.257 56.100 0.109 0.000 1.012 299 R CB 4.619 35.023 30.300 0.173 0.000 1.267 299 R HN 0.208 8.499 8.270 0.034 0.000 0.473 300 I N -0.616 120.043 120.570 0.148 0.000 2.582 300 I HA 0.547 nan 4.170 nan 0.000 0.292 300 I C -2.155 174.027 176.117 0.108 0.000 1.066 300 I CA -2.228 59.154 61.300 0.137 0.000 1.053 300 I CB 3.923 41.977 38.000 0.090 0.000 1.241 300 I HN 0.280 8.576 8.210 0.144 0.000 0.421 301 L N 7.146 128.428 121.223 0.099 0.000 2.418 301 L HA 0.146 nan 4.340 nan 0.000 0.274 301 L C 1.203 178.063 176.870 -0.016 0.000 1.135 301 L CA 0.322 55.155 54.840 -0.013 0.000 0.870 301 L CB -1.161 40.915 42.059 0.029 0.000 1.154 301 L HN 0.598 8.924 8.230 0.160 0.000 0.462 302 T N 0.777 115.287 114.554 -0.073 0.000 3.055 302 T HA -0.098 nan 4.350 nan 0.000 0.265 302 T C -0.572 174.106 174.700 -0.037 0.000 1.111 302 T CA 1.510 63.579 62.100 -0.051 0.000 1.118 302 T CB 0.334 69.152 68.868 -0.083 0.000 0.909 302 T HN 0.444 8.595 8.240 -0.150 0.000 0.501 303 S N -0.835 114.845 115.700 -0.034 0.000 2.661 303 S HA 0.102 nan 4.470 nan 0.000 0.268 303 S C -2.126 172.482 174.600 0.012 0.000 1.162 303 S CA -1.049 57.147 58.200 -0.006 0.000 0.817 303 S CB 2.161 65.359 63.200 -0.003 0.000 1.141 303 S HN -0.734 7.508 8.310 -0.057 0.034 0.477 304 D N 0.757 121.170 120.400 0.022 0.000 2.425 304 D HA 0.067 nan 4.640 nan 0.000 0.247 304 D C -1.497 174.857 176.300 0.090 0.000 1.147 304 D CA 1.079 55.097 54.000 0.030 0.000 0.879 304 D CB 0.043 40.848 40.800 0.009 0.000 1.179 304 D HN -0.016 8.363 8.370 0.014 0.000 0.456 305 Y N 4.392 124.611 120.300 -0.135 0.000 2.442 305 Y HA 0.192 nan 4.550 nan 0.000 0.330 305 Y C -2.752 173.061 175.900 -0.146 0.000 1.100 305 Y CA -0.881 57.089 58.100 -0.218 0.000 1.034 305 Y CB 4.461 42.651 38.460 -0.450 0.000 1.285 305 Y HN 0.891 9.095 8.280 0.054 0.109 0.440 306 E N 8.120 128.024 120.200 -0.493 0.000 2.130 306 E HA 0.247 nan 4.350 nan 0.000 0.284 306 E C -1.747 174.429 176.600 -0.706 0.000 1.018 306 E CA -1.098 55.039 56.400 -0.439 0.000 0.817 306 E CB 1.200 30.759 29.700 -0.235 0.000 1.078 306 E HN 0.215 8.372 8.360 -0.338 0.000 0.396 307 F N 8.328 127.887 119.950 -0.651 0.000 2.445 307 F HA 0.324 nan 4.527 nan 0.000 0.348 307 F C -0.949 174.773 175.800 -0.129 0.000 1.125 307 F CA -1.422 56.308 58.000 -0.451 0.000 0.983 307 F CB 1.559 40.415 39.000 -0.240 0.000 1.198 307 F HN 0.757 8.916 8.300 -0.235 0.000 0.436 308 H N 7.944 126.717 119.070 -0.495 0.000 2.692 308 H HA -0.344 nan 4.556 nan 0.000 0.316 308 H C -0.064 175.110 175.328 -0.256 0.000 1.176 308 H CA 0.939 56.728 56.048 -0.431 0.000 1.142 308 H CB -1.413 27.977 29.762 -0.619 0.000 1.475 308 H HN 0.907 8.895 8.280 -0.486 0.000 0.423 309 G N -5.651 103.059 108.800 -0.150 0.000 2.184 309 G HA2 -0.459 nan 3.960 nan 0.000 0.264 309 G HA3 -0.459 nan 3.960 nan 0.000 0.264 309 G C -1.102 173.757 174.900 -0.069 0.000 0.975 309 G CA 0.111 45.156 45.100 -0.091 0.000 0.642 309 G HN -0.090 8.079 8.290 -0.202 0.000 0.536 310 V N 2.270 122.120 119.914 -0.107 0.000 2.435 310 V HA 0.125 nan 4.120 nan 0.000 0.290 310 V C -0.784 175.213 176.094 -0.162 0.000 1.030 310 V CA -1.042 61.183 62.300 -0.124 0.000 0.881 310 V CB 1.500 33.195 31.823 -0.213 0.000 0.983 310 V HN -0.318 7.602 8.190 -0.131 0.192 0.445 311 Q N 4.643 124.396 119.800 -0.078 0.000 2.337 311 Q HA 0.281 nan 4.340 nan 0.000 0.255 311 Q C -0.827 175.182 176.000 0.015 0.000 0.997 311 Q CA -0.862 54.924 55.803 -0.029 0.000 0.925 311 Q CB -0.646 28.125 28.738 0.056 0.000 1.212 311 Q HN 0.331 8.591 8.270 -0.016 0.000 0.436 312 L N 5.967 127.146 121.223 -0.074 0.000 2.309 312 L HA 0.321 nan 4.340 nan 0.000 0.282 312 L C -0.865 176.054 176.870 0.082 0.000 1.036 312 L CA -0.876 53.962 54.840 -0.004 0.000 0.806 312 L CB 1.069 43.036 42.059 -0.154 0.000 1.220 312 L HN 0.940 8.989 8.230 -0.124 0.107 0.429 313 K N 1.630 122.115 120.400 0.142 0.000 2.118 313 K HA 0.501 nan 4.320 nan 0.000 0.254 313 K C -1.027 175.605 176.600 0.054 0.000 0.961 313 K CA -2.614 53.657 56.287 -0.027 0.000 0.876 313 K CB 1.646 33.939 32.500 -0.345 0.000 1.077 313 K HN 0.516 9.359 8.250 0.371 -0.371 0.440 314 K N 1.933 122.342 120.400 0.014 0.000 2.484 314 K HA -0.480 nan 4.320 nan 0.000 0.280 314 K C 0.685 177.322 176.600 0.062 0.000 1.013 314 K CA 2.148 58.453 56.287 0.030 0.000 1.029 314 K CB -0.018 32.488 32.500 0.009 0.000 0.902 314 K HN 0.001 8.571 8.250 -0.017 -0.331 0.481 315 G N 6.540 115.393 108.800 0.088 0.000 2.213 315 G HA2 -0.480 nan 3.960 nan 0.000 0.236 315 G HA3 -0.480 nan 3.960 nan 0.000 0.236 315 G C -0.628 174.386 174.900 0.190 0.000 0.991 315 G CA -0.175 44.993 45.100 0.113 0.000 0.629 315 G HN 0.829 9.056 8.290 0.076 0.108 0.517 316 D N 2.348 122.910 120.400 0.271 0.000 2.424 316 D HA -0.019 nan 4.640 nan 0.000 0.244 316 D C -0.854 175.689 176.300 0.404 0.000 1.134 316 D CA 1.146 55.424 54.000 0.465 0.000 0.881 316 D CB 0.563 41.805 40.800 0.738 0.000 1.191 316 D HN -0.021 8.301 8.370 0.227 0.184 0.445 317 Q N 1.003 121.032 119.800 0.381 0.000 2.222 317 Q HA 0.725 nan 4.340 nan 0.000 0.252 317 Q C -1.137 175.086 176.000 0.372 0.000 0.926 317 Q CA -0.818 55.144 55.803 0.265 0.000 0.899 317 Q CB 2.624 31.430 28.738 0.114 0.000 1.250 317 Q HN 0.318 8.823 8.270 0.391 0.000 0.441 318 I N 2.142 122.884 120.570 0.287 0.000 2.478 318 I HA 0.465 nan 4.170 nan 0.000 0.287 318 I C -2.820 173.376 176.117 0.131 0.000 1.042 318 I CA -1.789 59.696 61.300 0.309 0.000 1.067 318 I CB 3.312 41.498 38.000 0.311 0.000 1.233 318 I HN 0.387 8.721 8.210 0.207 0.000 0.431 319 L N 9.006 130.323 121.223 0.156 0.000 2.319 319 L HA 0.420 nan 4.340 nan 0.000 0.280 319 L C -2.313 174.585 176.870 0.046 0.000 1.099 319 L CA -0.231 54.653 54.840 0.074 0.000 0.828 319 L CB 1.150 43.296 42.059 0.145 0.000 1.150 319 L HN 0.770 9.068 8.230 0.301 0.112 0.442 320 L N 6.473 127.685 121.223 -0.018 0.000 2.502 320 L HA 0.462 nan 4.340 nan 0.000 0.247 320 L C -2.363 174.547 176.870 0.068 0.000 1.180 320 L CA -3.161 51.618 54.840 -0.101 0.000 0.956 320 L CB 0.118 41.857 42.059 -0.534 0.000 1.282 320 L HN 0.459 8.693 8.230 0.007 0.000 0.470 321 P HA -0.065 nan 4.420 nan 0.000 0.256 321 P C -0.029 177.268 177.300 -0.006 0.000 1.189 321 P CA 0.339 63.454 63.100 0.026 0.000 0.808 321 P CB -0.153 31.607 31.700 0.100 0.000 0.793 322 Q N 6.039 125.836 119.800 -0.005 0.000 2.181 322 Q HA -0.321 nan 4.340 nan 0.000 0.205 322 Q C 1.418 177.349 176.000 -0.114 0.000 0.980 322 Q CA 3.324 59.115 55.803 -0.021 0.000 0.862 322 Q CB -0.548 28.145 28.738 -0.075 0.000 0.905 322 Q HN 0.482 8.750 8.270 -0.004 0.000 0.429 323 M N -1.043 118.426 119.600 -0.219 0.000 2.149 323 M HA -0.328 nan 4.480 nan 0.000 0.261 323 M C 1.230 177.414 176.300 -0.194 0.000 1.064 323 M CA 3.347 58.477 55.300 -0.283 0.000 1.102 323 M CB 0.185 32.484 32.600 -0.502 0.000 1.369 323 M HN -0.525 7.587 8.290 -0.262 0.021 0.408 324 L N -3.300 117.844 121.223 -0.131 0.000 2.217 324 L HA -0.337 nan 4.340 nan 0.000 0.211 324 L C 1.651 178.477 176.870 -0.073 0.000 1.107 324 L CA 1.973 56.765 54.840 -0.079 0.000 0.783 324 L CB -0.554 41.484 42.059 -0.035 0.000 0.919 324 L HN -0.391 7.633 8.230 -0.124 0.132 0.442 325 S N -0.136 115.527 115.700 -0.061 0.000 2.359 325 S HA -0.365 nan 4.470 nan 0.000 0.223 325 S C 2.526 177.096 174.600 -0.050 0.000 1.039 325 S CA 3.429 61.596 58.200 -0.054 0.000 1.042 325 S CB -0.594 62.580 63.200 -0.044 0.000 0.915 325 S HN 0.166 8.442 8.310 -0.055 0.000 0.439 326 G N -1.132 107.643 108.800 -0.040 0.000 2.572 326 G HA2 -0.079 nan 3.960 nan 0.000 0.216 326 G HA3 -0.079 nan 3.960 nan 0.000 0.216 326 G C -0.003 174.855 174.900 -0.070 0.000 1.133 326 G CA 0.885 45.966 45.100 -0.030 0.000 0.791 326 G HN 0.326 8.590 8.290 -0.044 0.000 0.538 327 L N -1.756 119.413 121.223 -0.090 0.000 2.509 327 L HA -0.061 nan 4.340 nan 0.000 0.222 327 L C -0.233 176.593 176.870 -0.073 0.000 1.123 327 L CA -0.020 54.762 54.840 -0.098 0.000 0.856 327 L CB 0.052 42.046 42.059 -0.108 0.000 0.985 327 L HN -0.802 7.224 8.230 -0.090 0.149 0.456 328 D N 0.111 120.471 120.400 -0.067 0.000 2.382 328 D HA -0.149 nan 4.640 nan 0.000 0.259 328 D C 1.212 177.480 176.300 -0.052 0.000 1.224 328 D CA 0.530 54.493 54.000 -0.062 0.000 0.894 328 D CB 0.685 41.446 40.800 -0.065 0.000 1.127 328 D HN -0.774 7.397 8.370 -0.067 0.159 0.487 329 E N 6.410 126.581 120.200 -0.048 0.000 2.333 329 E HA -0.238 nan 4.350 nan 0.000 0.198 329 E C 0.646 177.225 176.600 -0.034 0.000 1.007 329 E CA 2.311 58.689 56.400 -0.038 0.000 0.845 329 E CB -1.086 28.593 29.700 -0.034 0.000 0.766 329 E HN 0.402 8.731 8.360 -0.052 0.000 0.507 330 R N -1.824 118.653 120.500 -0.039 0.000 2.236 330 R HA -0.108 nan 4.340 nan 0.000 0.208 330 R C 1.510 177.791 176.300 -0.032 0.000 1.036 330 R CA 1.702 57.781 56.100 -0.036 0.000 1.001 330 R CB 0.316 30.591 30.300 -0.043 0.000 0.896 330 R HN -0.397 8.102 8.270 -0.047 -0.257 0.464 331 E N -3.682 116.497 120.200 -0.034 0.000 2.290 331 E HA 0.035 nan 4.350 nan 0.000 0.197 331 E C -0.202 176.385 176.600 -0.021 0.000 0.948 331 E CA 0.642 57.024 56.400 -0.030 0.000 0.895 331 E CB 1.441 31.119 29.700 -0.038 0.000 0.865 331 E HN -0.106 8.054 8.360 -0.039 0.176 0.486 332 N N -0.593 118.094 118.700 -0.022 0.000 2.454 332 N HA 0.090 nan 4.740 nan 0.000 0.291 332 N C -1.927 173.575 175.510 -0.013 0.000 1.079 332 N CA -0.272 52.770 53.050 -0.014 0.000 0.893 332 N CB 2.378 40.855 38.487 -0.018 0.000 1.512 332 N HN -0.416 7.946 8.380 -0.029 0.000 0.497 333 A N 2.007 124.826 122.820 -0.002 0.000 2.462 333 A HA 0.012 nan 4.320 nan 0.000 0.243 333 A C 0.567 178.156 177.584 0.009 0.000 1.076 333 A CA 0.115 52.151 52.037 -0.000 0.000 0.773 333 A CB 0.553 19.556 19.000 0.005 0.000 1.010 333 A HN 0.230 8.382 8.150 0.002 0.000 0.493 334 C N 0.307 119.609 119.300 0.003 0.000 3.727 334 C HA -0.209 nan 4.460 nan 0.000 0.293 334 C C -0.057 174.945 174.990 0.019 0.000 1.339 334 C CA -0.949 58.078 59.018 0.014 0.000 2.150 334 C CB -3.191 24.567 27.740 0.030 0.000 1.383 334 C HN 0.540 8.766 8.230 -0.006 0.000 0.614 335 P HA -0.241 nan 4.420 nan 0.000 0.217 335 P C 0.804 178.052 177.300 -0.087 0.000 1.148 335 P CA 2.602 65.670 63.100 -0.052 0.000 0.828 335 P CB 0.224 31.888 31.700 -0.060 0.000 0.783 336 M N -4.652 114.914 119.600 -0.057 0.000 2.618 336 M HA 0.143 nan 4.480 nan 0.000 0.240 336 M C -0.287 175.979 176.300 -0.056 0.000 1.123 336 M CA -1.818 53.430 55.300 -0.086 0.000 1.060 336 M CB -1.302 31.273 32.600 -0.043 0.000 1.535 336 M HN -0.381 7.866 8.290 -0.026 0.028 0.507 337 H N 1.850 120.852 119.070 -0.113 0.000 2.527 337 H HA 0.178 nan 4.556 nan 0.000 0.321 337 H C -2.072 173.167 175.328 -0.148 0.000 1.087 337 H CA -0.336 55.659 56.048 -0.088 0.000 1.337 337 H CB 1.423 31.163 29.762 -0.036 0.000 1.440 337 H HN -0.218 7.927 8.280 0.065 0.174 0.490 338 V N 7.871 127.359 119.914 -0.709 0.000 2.389 338 V HA -0.011 nan 4.120 nan 0.000 0.264 338 V C -1.606 174.055 176.094 -0.721 0.000 1.049 338 V CA -0.194 61.680 62.300 -0.710 0.000 0.932 338 V CB -0.315 30.906 31.823 -1.004 0.000 1.011 338 V HN 0.584 8.438 8.190 -0.561 0.000 0.475 339 D N 7.901 128.060 120.400 -0.401 0.000 2.440 339 D HA 0.289 nan 4.640 nan 0.000 0.252 339 D C 0.218 176.545 176.300 0.045 0.000 1.180 339 D CA -1.804 52.084 54.000 -0.188 0.000 0.894 339 D CB 1.826 42.609 40.800 -0.027 0.000 1.111 339 D HN 0.139 8.719 8.370 -0.273 -0.374 0.544 340 F N 4.343 124.347 119.950 0.090 0.000 2.408 340 F HA -0.040 nan 4.527 nan 0.000 0.300 340 F C 0.781 176.622 175.800 0.068 0.000 1.090 340 F CA 0.249 58.302 58.000 0.088 0.000 1.427 340 F CB -0.414 38.666 39.000 0.133 0.000 1.070 340 F HN 0.552 8.715 8.300 -0.228 0.000 0.549 341 S N -3.316 112.516 115.700 0.220 0.000 2.556 341 S HA 0.017 nan 4.470 nan 0.000 0.216 341 S C -0.076 174.589 174.600 0.107 0.000 0.970 341 S CA 0.317 58.604 58.200 0.145 0.000 0.912 341 S CB 0.903 64.170 63.200 0.112 0.000 0.790 341 S HN -0.366 8.274 8.310 0.177 -0.223 0.504 342 R N 3.210 123.773 120.500 0.106 0.000 2.486 342 R HA -0.255 nan 4.340 nan 0.000 0.304 342 R C 0.065 176.408 176.300 0.071 0.000 0.913 342 R CA 1.041 57.188 56.100 0.078 0.000 1.124 342 R CB 0.142 30.485 30.300 0.072 0.000 0.891 342 R HN -0.690 7.488 8.270 0.124 0.166 0.410 343 Q N 3.977 123.811 119.800 0.056 0.000 2.291 343 Q HA -0.188 nan 4.340 nan 0.000 0.206 343 Q C -0.732 175.294 176.000 0.043 0.000 0.976 343 Q CA 1.467 57.299 55.803 0.048 0.000 0.875 343 Q CB 0.205 28.965 28.738 0.038 0.000 0.927 343 Q HN 0.303 8.604 8.270 0.052 0.000 0.450 344 K N -1.691 118.733 120.400 0.041 0.000 2.652 344 K HA 0.108 nan 4.320 nan 0.000 0.249 344 K C -1.905 174.717 176.600 0.038 0.000 0.986 344 K CA -0.393 55.914 56.287 0.033 0.000 0.867 344 K CB 0.964 33.476 32.500 0.020 0.000 1.201 344 K HN -0.588 7.657 8.250 0.042 0.031 0.450 345 V N 6.648 126.595 119.914 0.054 0.000 2.284 345 V HA 0.114 nan 4.120 nan 0.000 0.260 345 V C -0.687 175.442 176.094 0.058 0.000 1.084 345 V CA -0.550 61.802 62.300 0.087 0.000 0.894 345 V CB -1.165 30.746 31.823 0.146 0.000 1.119 345 V HN 0.196 8.419 8.190 0.056 0.000 0.484 346 S N 7.724 123.436 115.700 0.021 0.000 2.513 346 S HA 0.143 nan 4.470 nan 0.000 0.276 346 S C -1.824 172.783 174.600 0.011 0.000 1.254 346 S CA -0.273 57.900 58.200 -0.045 0.000 1.053 346 S CB 1.401 64.582 63.200 -0.033 0.000 0.958 346 S HN -0.214 8.360 8.310 0.027 -0.247 0.491 347 H N 0.077 119.128 119.070 -0.032 0.000 2.950 347 H HA 0.222 nan 4.556 nan 0.000 0.307 347 H C -1.325 173.978 175.328 -0.041 0.000 1.403 347 H CA -0.741 55.271 56.048 -0.061 0.000 1.145 347 H CB 1.858 31.567 29.762 -0.089 0.000 1.844 347 H HN -0.329 7.757 8.280 -0.323 0.000 0.515 348 T N -5.370 109.275 114.554 0.151 0.000 3.487 348 T HA 0.337 nan 4.350 nan 0.000 0.287 348 T C 0.876 175.617 174.700 0.068 0.000 1.004 348 T CA -0.570 61.596 62.100 0.111 0.000 0.977 348 T CB -0.645 68.246 68.868 0.038 0.000 1.180 348 T HN 0.521 8.828 8.240 0.111 0.000 0.490 349 T N 4.756 119.356 114.554 0.076 0.000 2.759 349 T HA -0.242 nan 4.350 nan 0.000 0.269 349 T C 0.164 174.623 174.700 -0.402 0.000 1.042 349 T CA 4.020 65.928 62.100 -0.321 0.000 1.140 349 T CB -0.069 68.369 68.868 -0.718 0.000 0.864 349 T HN -0.363 8.065 8.240 0.414 0.061 0.455 350 F N -1.600 118.344 119.950 -0.011 0.000 2.645 350 F HA 0.122 nan 4.527 nan 0.000 0.300 350 F C -0.813 174.950 175.800 -0.062 0.000 1.115 350 F CA -0.871 57.096 58.000 -0.055 0.000 1.355 350 F CB -0.254 38.714 39.000 -0.054 0.000 1.026 350 F HN -0.431 7.930 8.300 0.132 0.018 0.536 351 G N -0.874 107.949 108.800 0.040 0.000 2.627 351 G HA2 -0.376 nan 3.960 nan 0.000 0.214 351 G HA3 -0.376 nan 3.960 nan 0.000 0.214 351 G C -2.694 172.207 174.900 0.002 0.000 1.331 351 G CA -0.370 44.674 45.100 -0.094 0.000 0.891 351 G HN -0.342 7.739 8.290 0.009 0.215 0.539 352 H N -0.966 117.951 119.070 -0.255 0.000 3.094 352 H HA 0.143 nan 4.556 nan 0.000 0.346 352 H C -0.872 174.445 175.328 -0.019 0.000 1.238 352 H CA 0.302 56.303 56.048 -0.079 0.000 1.209 352 H CB 2.036 31.816 29.762 0.030 0.000 1.911 352 H HN 0.131 8.197 8.280 -0.356 0.000 0.540 353 G N 3.728 112.303 108.800 -0.374 0.000 2.545 353 G HA2 -0.293 nan 3.960 nan 0.000 0.216 353 G HA3 -0.293 nan 3.960 nan 0.000 0.216 353 G C 0.476 175.343 174.900 -0.056 0.000 1.314 353 G CA -0.109 44.931 45.100 -0.100 0.000 0.906 353 G HN 0.006 7.818 8.290 -0.796 0.000 0.563 354 S N 3.001 118.703 115.700 0.003 0.000 2.442 354 S HA -0.266 nan 4.470 nan 0.000 0.236 354 S C 0.164 174.630 174.600 -0.224 0.000 1.007 354 S CA 2.590 60.712 58.200 -0.130 0.000 0.965 354 S CB -0.062 62.999 63.200 -0.232 0.000 0.773 354 S HN 0.545 8.913 8.310 0.097 0.000 0.504 355 H N -0.511 118.541 119.070 -0.029 0.000 2.537 355 H HA 0.136 nan 4.556 nan 0.000 0.295 355 H C -0.020 175.283 175.328 -0.041 0.000 1.054 355 H CA -1.083 54.953 56.048 -0.020 0.000 1.156 355 H CB 0.182 29.947 29.762 0.005 0.000 1.468 355 H HN -0.164 8.171 8.280 0.164 0.043 0.551 356 L N 2.265 123.494 121.223 0.010 0.000 2.578 356 L HA -0.252 nan 4.340 nan 0.000 0.279 356 L C -0.654 176.215 176.870 -0.002 0.000 1.227 356 L CA 0.554 55.390 54.840 -0.007 0.000 0.900 356 L CB 0.546 42.581 42.059 -0.040 0.000 1.144 356 L HN -0.571 7.564 8.230 -0.027 0.079 0.496 357 C N 7.957 127.271 119.300 0.024 0.000 2.298 357 C HA -0.219 nan 4.460 nan 0.000 0.395 357 C C 1.641 176.558 174.990 -0.122 0.000 1.526 357 C CA 1.200 60.217 59.018 -0.003 0.000 1.458 357 C CB -0.809 26.982 27.740 0.083 0.000 2.506 357 C HN 0.390 8.660 8.230 0.067 0.000 0.604 358 L N 6.789 127.972 121.223 -0.067 0.000 2.179 358 L HA -0.104 nan 4.340 nan 0.000 0.208 358 L C 1.407 178.202 176.870 -0.125 0.000 1.096 358 L CA 1.973 56.767 54.840 -0.077 0.000 0.779 358 L CB 0.196 42.253 42.059 -0.003 0.000 0.922 358 L HN 0.539 8.763 8.230 -0.009 0.000 0.443 359 G N -3.972 104.764 108.800 -0.107 0.000 3.026 359 G HA2 -0.037 nan 3.960 nan 0.000 0.208 359 G HA3 -0.037 nan 3.960 nan 0.000 0.208 359 G C -0.246 174.507 174.900 -0.245 0.000 1.169 359 G CA 0.202 45.241 45.100 -0.102 0.000 0.788 359 G HN -0.111 8.143 8.290 -0.061 0.000 0.533 360 Q N 1.043 120.516 119.800 -0.545 0.000 2.170 360 Q HA -0.416 nan 4.340 nan 0.000 0.203 360 Q C 1.586 177.145 176.000 -0.735 0.000 0.976 360 Q CA 3.039 58.194 55.803 -1.080 0.000 0.858 360 Q CB -0.606 27.147 28.738 -1.642 0.000 0.907 360 Q HN -0.523 7.346 8.270 -0.515 0.092 0.433 361 H N -0.074 118.829 119.070 -0.279 0.000 2.395 361 H HA -0.165 nan 4.556 nan 0.000 0.299 361 H C 2.361 177.640 175.328 -0.082 0.000 1.070 361 H CA 2.580 58.536 56.048 -0.154 0.000 1.356 361 H CB -0.471 29.229 29.762 -0.103 0.000 1.401 361 H HN -0.499 7.330 8.280 -0.708 0.026 0.524 362 L N 0.181 121.418 121.223 0.023 0.000 2.056 362 L HA -0.271 nan 4.340 nan 0.000 0.207 362 L C 1.274 178.163 176.870 0.032 0.000 1.078 362 L CA 2.554 57.412 54.840 0.031 0.000 0.749 362 L CB -0.774 41.300 42.059 0.026 0.000 0.901 362 L HN -0.206 8.016 8.230 -0.013 0.000 0.433 363 A N -0.676 122.146 122.820 0.004 0.000 1.877 363 A HA -0.358 nan 4.320 nan 0.000 0.216 363 A C 2.148 179.810 177.584 0.130 0.000 1.186 363 A CA 3.293 55.380 52.037 0.084 0.000 0.620 363 A CB -0.815 18.278 19.000 0.155 0.000 0.822 363 A HN 0.315 8.354 8.150 -0.067 0.070 0.443 364 R N -2.067 118.480 120.500 0.079 0.000 2.096 364 R HA -0.358 nan 4.340 nan 0.000 0.235 364 R C 2.268 178.652 176.300 0.140 0.000 1.127 364 R CA 3.462 59.635 56.100 0.120 0.000 0.968 364 R CB -0.105 30.242 30.300 0.079 0.000 0.861 364 R HN -0.065 8.188 8.270 -0.029 0.000 0.440 365 R N -0.357 120.217 120.500 0.122 0.000 2.073 365 R HA -0.297 nan 4.340 nan 0.000 0.234 365 R C 2.191 178.617 176.300 0.210 0.000 1.134 365 R CA 2.830 59.014 56.100 0.139 0.000 0.952 365 R CB -0.693 29.672 30.300 0.109 0.000 0.850 365 R HN -0.257 8.069 8.270 0.094 0.000 0.433 366 E N -0.430 119.907 120.200 0.229 0.000 2.110 366 E HA -0.320 nan 4.350 nan 0.000 0.193 366 E C 2.773 179.662 176.600 0.481 0.000 0.988 366 E CA 2.995 59.633 56.400 0.397 0.000 0.804 366 E CB -0.224 29.597 29.700 0.201 0.000 0.745 366 E HN -0.341 8.116 8.360 0.161 0.000 0.458 367 I N 0.170 120.949 120.570 0.348 0.000 2.163 367 I HA -0.473 nan 4.170 nan 0.000 0.240 367 I C 1.874 178.139 176.117 0.247 0.000 1.081 367 I CA 4.325 65.829 61.300 0.339 0.000 1.353 367 I CB -0.034 38.176 38.000 0.350 0.000 1.054 367 I HN -0.114 8.190 8.210 0.286 0.078 0.407 368 I N -0.443 120.246 120.570 0.198 0.000 2.226 368 I HA -0.538 nan 4.170 nan 0.000 0.245 368 I C 2.033 178.231 176.117 0.134 0.000 1.100 368 I CA 4.641 66.024 61.300 0.138 0.000 1.374 368 I CB -0.540 37.528 38.000 0.113 0.000 1.057 368 I HN 0.027 8.358 8.210 0.201 0.000 0.413 369 V N -0.299 119.720 119.914 0.176 0.000 2.358 369 V HA -0.496 nan 4.120 nan 0.000 0.246 369 V C 2.008 178.166 176.094 0.106 0.000 1.047 369 V CA 5.140 67.533 62.300 0.155 0.000 1.035 369 V CB -1.106 30.858 31.823 0.235 0.000 0.658 369 V HN 0.161 8.482 8.190 0.218 0.000 0.452 370 T N 2.633 117.268 114.554 0.135 0.000 2.708 370 T HA -0.348 nan 4.350 nan 0.000 0.266 370 T C 1.835 176.577 174.700 0.070 0.000 1.037 370 T CA 5.013 67.158 62.100 0.075 0.000 1.146 370 T CB -0.526 68.453 68.868 0.185 0.000 0.865 370 T HN -0.417 7.965 8.240 0.237 0.000 0.435 371 L N 0.404 121.679 121.223 0.086 0.000 1.989 371 L HA -0.496 nan 4.340 nan 0.000 0.211 371 L C 1.604 178.523 176.870 0.081 0.000 1.071 371 L CA 3.535 58.416 54.840 0.070 0.000 0.749 371 L CB -0.555 41.537 42.059 0.055 0.000 0.890 371 L HN 0.215 8.515 8.230 0.117 0.000 0.431 372 K N -0.877 119.564 120.400 0.067 0.000 2.001 372 K HA -0.400 nan 4.320 nan 0.000 0.208 372 K C 2.430 179.055 176.600 0.041 0.000 1.048 372 K CA 3.471 59.789 56.287 0.053 0.000 0.932 372 K CB -0.104 32.424 32.500 0.046 0.000 0.715 372 K HN -0.313 7.980 8.250 0.072 0.000 0.437 373 E N -1.931 118.289 120.200 0.033 0.000 2.150 373 E HA -0.266 nan 4.350 nan 0.000 0.193 373 E C 2.391 178.963 176.600 -0.046 0.000 0.985 373 E CA 2.291 58.686 56.400 -0.009 0.000 0.814 373 E CB -0.663 29.028 29.700 -0.015 0.000 0.752 373 E HN -0.137 8.249 8.360 0.044 0.000 0.466 374 W N 0.796 121.977 121.300 -0.197 0.000 2.444 374 W HA -0.188 nan 4.660 nan 0.000 0.308 374 W C 1.509 177.894 176.519 -0.223 0.000 1.183 374 W CA 3.639 60.808 57.345 -0.294 0.000 1.340 374 W CB 0.637 29.864 29.460 -0.389 0.000 1.138 374 W HN 0.174 8.414 8.180 0.133 0.020 0.510 375 L N -3.268 118.059 121.223 0.174 0.000 2.191 375 L HA -0.417 nan 4.340 nan 0.000 0.212 375 L C 2.092 178.972 176.870 0.017 0.000 1.103 375 L CA 2.608 57.534 54.840 0.144 0.000 0.769 375 L CB -0.371 41.783 42.059 0.158 0.000 0.908 375 L HN -0.407 7.944 8.230 0.201 0.000 0.438 376 T N -0.266 114.271 114.554 -0.027 0.000 2.668 376 T HA -0.226 nan 4.350 nan 0.000 0.262 376 T C 1.323 175.956 174.700 -0.112 0.000 1.045 376 T CA 2.738 64.807 62.100 -0.052 0.000 1.152 376 T CB -0.110 68.730 68.868 -0.046 0.000 0.864 376 T HN -0.051 8.166 8.240 -0.012 0.016 0.419 377 R N -0.882 119.494 120.500 -0.206 0.000 2.075 377 R HA -0.038 nan 4.340 nan 0.000 0.226 377 R C 0.813 176.892 176.300 -0.369 0.000 1.114 377 R CA 2.986 58.920 56.100 -0.276 0.000 0.972 377 R CB 1.161 31.255 30.300 -0.343 0.000 0.869 377 R HN -0.744 7.392 8.270 -0.223 0.000 0.437 378 I N -1.680 118.565 120.570 -0.543 0.000 2.778 378 I HA 0.290 nan 4.170 nan 0.000 0.285 378 I C -2.561 173.468 176.117 -0.147 0.000 1.236 378 I CA -2.915 58.026 61.300 -0.597 0.000 1.089 378 I CB -0.059 37.118 38.000 -1.371 0.000 1.601 378 I HN 0.215 7.975 8.210 -0.576 0.105 0.573 379 P HA -0.107 nan 4.420 nan 0.000 0.223 379 P C -1.055 176.350 177.300 0.176 0.000 1.151 379 P CA 1.760 64.925 63.100 0.109 0.000 0.787 379 P CB 0.614 32.339 31.700 0.042 0.000 0.788 380 D N -3.227 117.285 120.400 0.186 0.000 2.549 380 D HA 0.175 nan 4.640 nan 0.000 0.251 380 D C -1.983 174.518 176.300 0.335 0.000 1.153 380 D CA -0.492 53.604 54.000 0.161 0.000 0.861 380 D CB 2.343 43.203 40.800 0.101 0.000 1.207 380 D HN -0.325 8.078 8.370 0.125 0.042 0.543 381 F N -0.162 119.842 119.950 0.090 0.000 2.741 381 F HA 0.609 nan 4.527 nan 0.000 0.313 381 F C -2.905 172.963 175.800 0.113 0.000 1.153 381 F CA -1.994 56.115 58.000 0.181 0.000 0.931 381 F CB 2.104 41.235 39.000 0.218 0.000 1.335 381 F HN -0.310 7.836 8.300 -0.257 0.000 0.460 382 S N -2.900 112.964 115.700 0.272 0.000 2.615 382 S HA 0.360 nan 4.470 nan 0.000 0.269 382 S C -1.535 173.168 174.600 0.172 0.000 1.161 382 S CA -0.894 57.358 58.200 0.086 0.000 0.817 382 S CB 3.300 66.522 63.200 0.037 0.000 1.131 382 S HN 0.479 9.081 8.310 0.486 0.000 0.467 383 I N 0.633 121.251 120.570 0.081 0.000 2.588 383 I HA -0.098 nan 4.170 nan 0.000 0.283 383 I C -0.094 176.071 176.117 0.080 0.000 1.119 383 I CA 0.225 61.576 61.300 0.085 0.000 1.419 383 I CB 0.194 38.217 38.000 0.039 0.000 1.394 383 I HN 0.469 8.691 8.210 0.021 0.000 0.562 384 A N 8.655 131.526 122.820 0.085 0.000 2.567 384 A HA 0.001 nan 4.320 nan 0.000 0.240 384 A C -1.494 176.114 177.584 0.039 0.000 1.053 384 A CA -1.136 50.937 52.037 0.060 0.000 0.755 384 A CB -0.574 18.456 19.000 0.051 0.000 0.978 384 A HN 0.481 8.584 8.150 0.100 0.106 0.507 385 P HA -0.103 nan 4.420 nan 0.000 0.264 385 P C 0.716 178.027 177.300 0.018 0.000 1.193 385 P CA 0.895 64.007 63.100 0.020 0.000 0.763 385 P CB -0.070 31.640 31.700 0.015 0.000 0.810 386 G N 3.865 112.675 108.800 0.016 0.000 2.659 386 G HA2 -0.327 nan 3.960 nan 0.000 0.212 386 G HA3 -0.327 nan 3.960 nan 0.000 0.212 386 G C -0.740 174.170 174.900 0.018 0.000 1.226 386 G CA -0.437 44.672 45.100 0.015 0.000 0.739 386 G HN 0.434 8.732 8.290 0.015 0.000 0.528 387 A N 3.178 126.012 122.820 0.023 0.000 2.608 387 A HA -0.269 nan 4.320 nan 0.000 0.246 387 A C -0.307 177.291 177.584 0.024 0.000 0.998 387 A CA 1.032 53.085 52.037 0.028 0.000 0.796 387 A CB 0.301 19.324 19.000 0.038 0.000 0.895 387 A HN -0.158 7.926 8.150 0.025 0.081 0.508 388 Q N 3.091 122.905 119.800 0.023 0.000 2.394 388 Q HA 0.119 nan 4.340 nan 0.000 0.259 388 Q C -1.347 174.666 176.000 0.022 0.000 1.021 388 Q CA -1.271 54.542 55.803 0.017 0.000 0.805 388 Q CB 1.045 29.792 28.738 0.015 0.000 1.226 388 Q HN 0.157 8.442 8.270 0.026 0.000 0.476 389 I N 3.786 124.367 120.570 0.018 0.000 2.471 389 I HA -0.063 nan 4.170 nan 0.000 0.286 389 I C -0.403 175.717 176.117 0.005 0.000 1.079 389 I CA -0.954 60.366 61.300 0.034 0.000 1.398 389 I CB -0.004 38.028 38.000 0.054 0.000 1.403 389 I HN 0.277 8.494 8.210 0.012 0.000 0.530 390 Q N 4.757 124.596 119.800 0.066 0.000 2.337 390 Q HA 0.298 nan 4.340 nan 0.000 0.266 390 Q C -1.384 174.763 176.000 0.245 0.000 1.023 390 Q CA -1.583 54.266 55.803 0.078 0.000 0.829 390 Q CB 3.128 31.910 28.738 0.074 0.000 1.306 390 Q HN 0.316 8.641 8.270 0.093 0.000 0.449 391 H N 1.930 121.075 119.070 0.125 0.000 2.559 391 H HA 0.603 nan 4.556 nan 0.000 0.343 391 H C -0.977 174.445 175.328 0.156 0.000 1.209 391 H CA -1.493 54.659 56.048 0.173 0.000 1.287 391 H CB 2.374 32.314 29.762 0.297 0.000 1.650 391 H HN 0.163 8.541 8.280 0.164 0.000 0.567 392 K N -0.984 119.594 120.400 0.296 0.000 2.469 392 K HA 0.489 nan 4.320 nan 0.000 0.254 392 K C -1.903 174.851 176.600 0.255 0.000 0.939 392 K CA -2.509 53.911 56.287 0.221 0.000 0.812 392 K CB 3.440 36.031 32.500 0.150 0.000 1.301 392 K HN 0.327 8.752 8.250 0.291 0.000 0.433 393 S N 0.352 116.206 115.700 0.256 0.000 2.566 393 S HA 0.545 nan 4.470 nan 0.000 0.298 393 S C -1.122 173.640 174.600 0.270 0.000 1.083 393 S CA -2.104 56.279 58.200 0.305 0.000 0.978 393 S CB 1.373 64.817 63.200 0.407 0.000 1.073 393 S HN 0.343 8.788 8.310 0.226 0.000 0.491 394 G N 2.571 111.492 108.800 0.201 0.000 2.392 394 G HA2 0.119 nan 3.960 nan 0.000 0.260 394 G HA3 0.119 nan 3.960 nan 0.000 0.260 394 G C -1.111 173.760 174.900 -0.049 0.000 1.226 394 G CA 0.504 45.660 45.100 0.092 0.000 0.913 394 G HN -0.320 8.090 8.290 0.201 0.000 0.483 395 I N 0.644 121.178 120.570 -0.060 0.000 2.286 395 I HA -0.181 nan 4.170 nan 0.000 0.248 395 I C -0.627 175.412 176.117 -0.130 0.000 1.115 395 I CA 2.484 63.648 61.300 -0.226 0.000 1.392 395 I CB 0.053 37.786 38.000 -0.446 0.000 1.065 395 I HN -0.099 8.186 8.210 0.124 0.000 0.418 396 V N -2.484 117.415 119.914 -0.025 0.000 2.577 396 V HA 0.280 nan 4.120 nan 0.000 0.303 396 V C -1.146 174.982 176.094 0.057 0.000 1.042 396 V CA -1.735 60.566 62.300 0.002 0.000 0.872 396 V CB 2.551 34.401 31.823 0.044 0.000 0.998 396 V HN -0.781 7.422 8.190 0.030 0.006 0.423 397 S N 7.166 122.907 115.700 0.068 0.000 2.652 397 S HA 0.599 nan 4.470 nan 0.000 0.270 397 S C -0.968 173.781 174.600 0.249 0.000 1.243 397 S CA -0.805 57.499 58.200 0.173 0.000 0.999 397 S CB 1.287 64.580 63.200 0.155 0.000 0.973 397 S HN 0.532 8.847 8.310 0.009 0.000 0.544 398 G N -1.093 107.817 108.800 0.183 0.000 2.706 398 G HA2 0.288 nan 3.960 nan 0.000 0.307 398 G HA3 0.288 nan 3.960 nan 0.000 0.307 398 G C -3.020 171.662 174.900 -0.363 0.000 1.307 398 G CA -0.236 44.766 45.100 -0.163 0.000 0.790 398 G HN 0.029 8.451 8.290 0.220 0.000 0.503 399 V N -1.090 118.545 119.914 -0.465 0.000 2.448 399 V HA 0.309 nan 4.120 nan 0.000 0.295 399 V C -0.842 175.209 176.094 -0.072 0.000 1.025 399 V CA -1.159 60.977 62.300 -0.273 0.000 0.859 399 V CB 1.078 32.666 31.823 -0.391 0.000 0.988 399 V HN 0.290 8.220 8.190 -0.434 0.000 0.431 400 Q N 6.958 126.780 119.800 0.037 0.000 2.020 400 Q HA -0.209 nan 4.340 nan 0.000 0.202 400 Q C -0.431 175.591 176.000 0.036 0.000 0.982 400 Q CA 2.888 58.717 55.803 0.044 0.000 0.838 400 Q CB 1.166 29.947 28.738 0.070 0.000 0.899 400 Q HN 0.630 8.963 8.270 0.104 0.000 0.423 401 A N -5.625 117.224 122.820 0.048 0.000 2.594 401 A HA 0.296 nan 4.320 nan 0.000 0.295 401 A C -2.703 174.921 177.584 0.067 0.000 1.071 401 A CA -0.428 51.642 52.037 0.056 0.000 0.685 401 A CB 2.396 21.430 19.000 0.057 0.000 1.285 401 A HN -0.319 7.868 8.150 0.062 0.000 0.405 402 L N 0.546 121.824 121.223 0.092 0.000 2.481 402 L HA 0.510 nan 4.340 nan 0.000 0.255 402 L C -3.025 173.928 176.870 0.138 0.000 1.192 402 L CA -3.112 51.787 54.840 0.098 0.000 0.924 402 L CB 2.430 44.540 42.059 0.084 0.000 1.179 402 L HN 0.437 8.732 8.230 0.108 0.000 0.491 403 P HA 0.300 nan 4.420 nan 0.000 0.276 403 P C -1.729 175.664 177.300 0.154 0.000 1.264 403 P CA -0.040 63.135 63.100 0.125 0.000 0.769 403 P CB -0.257 31.492 31.700 0.082 0.000 0.840 404 L N 5.382 126.746 121.223 0.234 0.000 2.330 404 L HA 0.916 nan 4.340 nan 0.000 0.271 404 L C -1.413 175.649 176.870 0.320 0.000 1.013 404 L CA -1.175 53.871 54.840 0.343 0.000 0.816 404 L CB 3.012 45.364 42.059 0.488 0.000 1.287 404 L HN 0.579 8.962 8.230 0.255 0.000 0.435 405 V N -5.947 114.184 119.914 0.362 0.000 3.007 405 V HA 0.912 nan 4.120 nan 0.000 0.311 405 V C -2.486 173.865 176.094 0.428 0.000 1.120 405 V CA -2.475 59.919 62.300 0.156 0.000 0.980 405 V CB 2.894 34.749 31.823 0.054 0.000 1.033 405 V HN 0.764 9.210 8.190 0.427 0.000 0.429 406 W N -1.114 120.255 121.300 0.114 0.000 3.059 406 W HA 0.480 nan 4.660 nan 0.000 0.329 406 W C -2.422 174.132 176.519 0.060 0.000 1.246 406 W CA -1.036 56.376 57.345 0.112 0.000 1.190 406 W CB 1.792 31.343 29.460 0.151 0.000 1.423 406 W HN 0.548 8.430 8.180 -0.343 0.092 0.571 407 D N 1.078 121.658 120.400 0.300 0.000 2.347 407 D HA 0.479 nan 4.640 nan 0.000 0.235 407 D C -0.294 176.151 176.300 0.242 0.000 1.149 407 D CA -4.108 49.988 54.000 0.160 0.000 0.850 407 D CB 0.832 41.702 40.800 0.117 0.000 1.061 407 D HN 0.325 8.910 8.370 0.357 0.000 0.487 408 P HA -0.228 nan 4.420 nan 0.000 0.217 408 P C -0.014 177.361 177.300 0.126 0.000 1.148 408 P CA 2.092 65.305 63.100 0.189 0.000 0.828 408 P CB 0.171 31.919 31.700 0.081 0.000 0.783 409 A N -3.874 118.998 122.820 0.087 0.000 2.076 409 A HA -0.208 nan 4.320 nan 0.000 0.220 409 A C 1.693 179.313 177.584 0.061 0.000 1.160 409 A CA 2.435 54.508 52.037 0.059 0.000 0.653 409 A CB -0.618 18.408 19.000 0.044 0.000 0.801 409 A HN -0.363 8.034 8.150 0.078 -0.200 0.455 410 T N -6.086 108.521 114.554 0.087 0.000 3.044 410 T HA 0.016 nan 4.350 nan 0.000 0.250 410 T C 0.942 175.668 174.700 0.042 0.000 1.081 410 T CA -0.168 61.973 62.100 0.068 0.000 1.040 410 T CB -0.011 68.910 68.868 0.089 0.000 0.962 410 T HN 0.219 8.372 8.240 0.126 0.163 0.506 411 T N 0.468 115.051 114.554 0.049 0.000 2.816 411 T HA 0.205 nan 4.350 nan 0.000 0.282 411 T C -1.294 173.389 174.700 -0.027 0.000 0.993 411 T CA -0.908 61.178 62.100 -0.023 0.000 0.994 411 T CB 0.790 69.647 68.868 -0.018 0.000 1.025 411 T HN -0.394 7.734 8.240 0.096 0.170 0.529 412 K N -1.117 119.245 120.400 -0.064 0.000 2.550 412 K HA 0.285 nan 4.320 nan 0.000 0.252 412 K C -1.791 174.770 176.600 -0.065 0.000 0.943 412 K CA -0.786 55.473 56.287 -0.047 0.000 0.806 412 K CB 2.679 35.158 32.500 -0.034 0.000 1.289 412 K HN 0.153 8.336 8.250 -0.111 0.000 0.435 413 A N 2.258 125.051 122.820 -0.045 0.000 2.313 413 A HA 0.292 nan 4.320 nan 0.000 0.261 413 A C -1.286 176.274 177.584 -0.039 0.000 1.090 413 A CA -0.453 51.555 52.037 -0.048 0.000 0.807 413 A CB 0.836 19.818 19.000 -0.030 0.000 1.055 413 A HN 0.149 8.281 8.150 -0.030 0.000 0.492 414 V N 0.000 119.891 119.914 -0.038 0.000 2.409 414 V HA 0.000 nan 4.120 nan 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 414 V HN 0.000 8.165 8.190 -0.042 0.000 0.556